REM -------------------------------------------------------------------- 4QBU REM 4QBU REM STRIDE: Knowledge-based secondary structure assignment 4QBU REM Please cite: D.Frishman & P.Argos, Proteins XX, XXX-XXX, 1995 4QBU REM 4QBU REM Residue accessible surface area calculation 4QBU REM Please cite: F.Eisenhaber & P.Argos, J.Comp.Chem. 14, 1272-1280, 1993 4QBU REM F.Eisenhaber et al., J.Comp.Chem., 1994, submitted 4QBU REM 4QBU REM ------------------------ General information ----------------------- 4QBU REM 4QBU HDR TRANSFERASE 08-MAY-14 4QBU 4QBU CMP MOL_ID: 1; 4QBU CMP MOLECULE: ZMAA; 4QBU CMP CHAIN: A; 4QBU CMP FRAGMENT: ACYL TRANSFERASE DOMAIN; 4QBU CMP ENGINEERED: YES 4QBU SRC MOL_ID: 1; 4QBU SRC ORGANISM_SCIENTIFIC: BACILLUS CEREUS; 4QBU SRC ORGANISM_TAXID: 1396; 4QBU SRC STRAIN: UW85; 4QBU SRC GENE: ZMAA; 4QBU SRC EXPRESSION_SYSTEM: ESCHERICHIA COLI; 4QBU SRC EXPRESSION_SYSTEM_TAXID: 562; 4QBU SRC EXPRESSION_SYSTEM_STRAIN: ROSETTA(DE3); 4QBU SRC EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; 4QBU SRC EXPRESSION_SYSTEM_PLASMID: PET-30A(+) 4QBU AUT D.H.DYER,B.M.KEVANY,M.G.THOMAS,K.T.FOREST 4QBU REM 4QBU REM -------------------- Secondary structure summary ------------------- 4QBU REM 4QBU CHN /home/proj/stride/tmp/tmpsv1E7Mpdb A 4QBU REM 4QBU REM . . . . . 4QBU SEQ 1 TSNSRPYQMLMISAKSKDALDRMTLNLGNHLEQNPHVNLADASYTLQIGR 50 4QBU STR TTTEEEEEEE HHHHHHHHHHHHHHHHHTTTT HHHHHHHHHTTT 4QBU REM 4QBU REM . . . . . 4QBU SEQ 51 KEFKHRRALVCSSTQEGIEQLNQPDGRRVQYANVKEEHPKIHFLFSGNGS 100 4QBU STR TTEEEEEEE HHHHHHHHHTTTTTTTEEEETTTTTT EEEEE TTT 4QBU REM 4QBU REM . . . . . 4QBU SEQ 101 QYVNMGLELYEQEAIFREAMDECFAILQSFTNVNMKEVLYPTTFSINEAT 150 4QBU STR TTTTTTHHHHHH HHHHHHHHHHHHHHHHHH HHHHH TTTT HHHHH 4QBU REM 4QBU REM . . . . . 4QBU SEQ 151 EKLKRMEFSQPILFAFEYAVAKLLMGWGIKPEAMIGYSFGEYVAACLAEV 200 4QBU STR HHHH HHHHHHHHHHHHHHHHHHHHHH TTEEEETTHHHHHHHHHHTT 4QBU REM 4QBU REM . . . . . 4QBU SEQ 201 FTLEDALKLVVKRGQLMSSLPAGVMLSVPLPEEELIHLINSFEKEYQHTI 250 4QBU STR TTHHHHHHHHHHHHHHHH EEEEETT HHHHHHHHHHHHHH 4QBU REM 4QBU REM . . . . . 4QBU SEQ 251 SLAVVNGPACIVSGTEEAIVDFENELKKQRLMCMRVTIAHSHELDSILDE 300 4QBU STR EEEEEETTEEEEEE HHHHHHHHHHHHHH EE GGGGGGHHH 4QBU REM 4QBU REM . . . . . 4QBU SEQ 301 YASYVSTLTLREPKIPYLSNLTGTWIRPEEATNPVYWVKHMRGTVRFSDG 350 4QBU STR HHHHHH TTTTBBTTTTT B HHHHH HHHHHHHHH B HHHH 4QBU REM 4QBU REM . . . . . 4QBU SEQ 351 IQELNRDNTSLFIEIGPGNDLSRLTSRLLDYENGNERIFNTVRSVQQDVS 400 4QBU STR HHHHHTTTTTEEEEE HHHHHHHHHHHTTTTGGGGEE TTTTTT 4QBU REM 4QBU REM . . . 4QBU SEQ 401 DMYFLFSHITRMWVTGISVDWEQFYKDEKRRRIPLP 436 4QBU STR HHHHHHHHHHHHHHH HHHHHTTT 4QBU REM 4QBU REM 4QBU REM 4QBU LOC AlphaHelix LYS 21 A GLN 37 A 4QBU LOC AlphaHelix LEU 43 A GLN 51 A 4QBU LOC AlphaHelix THR 68 A ASN 76 A 4QBU LOC AlphaHelix LEU 111 A GLN 116 A 4QBU LOC AlphaHelix ALA 118 A THR 135 A 4QBU LOC AlphaHelix MET 139 A LEU 143 A 4QBU LOC AlphaHelix ILE 150 A LYS 158 A 4QBU LOC AlphaHelix MET 160 A TRP 181 A 4QBU LOC AlphaHelix PHE 193 A ALA 202 A 4QBU LOC AlphaHelix LEU 207 A SER 222 A 4QBU LOC AlphaHelix GLU 236 A GLU 249 A 4QBU LOC AlphaHelix GLU 270 A GLN 283 A 4QBU LOC AlphaHelix LEU 305 A SER 313 A 4QBU LOC AlphaHelix PRO 335 A THR 339 A 4QBU LOC AlphaHelix PRO 341 A ARG 349 A 4QBU LOC AlphaHelix PHE 354 A ASN 362 A 4QBU LOC AlphaHelix ASN 376 A LEU 386 A 4QBU LOC AlphaHelix ASP 408 A THR 422 A 4QBU LOC AlphaHelix TRP 428 A TYR 432 A 4QBU LOC 310Helix HIS 299 A ILE 304 A 4QBU LOC 310Helix GLY 391 A ARG 394 A 4QBU LOC Strand GLN 12 A ALA 18 A 4QBU LOC Strand HIS 59 A CYS 65 A 4QBU LOC Strand GLN 84 A ASN 87 A 4QBU LOC Strand ILE 95 A PHE 99 A 4QBU LOC Strand ALA 187 A GLY 190 A 4QBU LOC Strand VAL 228 A VAL 232 A 4QBU LOC Strand SER 255 A ASN 260 A 4QBU LOC Strand ALA 263 A GLY 268 A 4QBU LOC Strand MET 288 A ARG 289 A 4QBU LOC Strand LEU 368 A ILE 372 A 4QBU LOC Strand ILE 395 A PHE 396 A 4QBU LOC TurnVIII ARG 9 A GLN 12 A 4QBU LOC TurnI ASN 38 A VAL 41 A 4QBU LOC TurnII GLN 51 A ARG 54 A 4QBU LOC TurnVIII PHE 57 A ARG 60 A 4QBU LOC TurnI GLN 77 A GLY 80 A 4QBU LOC TurnI GLY 80 A VAL 83 A 4QBU LOC TurnVIII ARG 81 A GLN 84 A 4QBU LOC TurnVIII VAL 88 A GLU 91 A 4QBU LOC TurnIV GLU 90 A PRO 93 A 4QBU LOC TurnIV ASN 102 A GLN 105 A 4QBU LOC TurnII TYR 106 A MET 109 A 4QBU LOC TurnII ASN 108 A LEU 111 A 4QBU LOC TurnIV PRO 145 A PHE 148 A 4QBU LOC TurnIV PRO 185 A MET 188 A 4QBU LOC TurnIV GLY 190 A PHE 193 A 4QBU LOC TurnVIII GLU 203 A THR 206 A 4QBU LOC TurnII' ASN 260 A ALA 263 A 4QBU LOC TurnVIII PRO 320 A PRO 323 A 4QBU LOC TurnI SER 326 A THR 329 A 4QBU LOC TurnI ASN 327 A GLY 330 A 4QBU LOC TurnVIII ASN 362 A ASN 365 A 4QBU LOC TurnI ASP 364 A SER 367 A 4QBU LOC TurnIV ASP 387 A ASN 390 A 4QBU LOC TurnI TYR 388 A GLY 391 A 4QBU LOC TurnI SER 401 A GLN 404 A 4QBU LOC TurnI TYR 432 A GLU 435 A 4QBU LOC GammaInv VAL 232 A LEU 234 A 4QBU LOC GammaInv GLN 404 A VAL 406 A 4QBU REM 4QBU REM --------------- Detailed secondary structure assignment------------- 4QBU REM 4QBU REM |---Residue---| |--Structure--| |-Phi-| |-Psi-| |-Area-| 4QBU ASG THR A 5 1 C Coil 360.00 -38.69 109.9 4QBU ASG SER A 6 2 C Coil -74.87 -12.18 79.8 4QBU ASG ASN A 7 3 C Coil -55.27 158.20 130.0 4QBU ASG SER A 8 4 C Coil -138.35 -178.62 41.8 4QBU ASG ARG A 9 5 T Turn -68.16 158.10 28.9 4QBU ASG PRO A 10 6 T Turn -78.04 -12.69 52.9 4QBU ASG TYR A 11 7 T Turn -121.43 143.97 46.1 4QBU ASG GLN A 12 8 E Strand -126.99 137.73 13.5 4QBU ASG MET A 13 9 E Strand -104.86 133.67 1.9 4QBU ASG LEU A 14 10 E Strand -106.44 125.53 2.2 4QBU ASG MET A 15 11 E Strand -112.81 134.40 2.6 4QBU ASG ILE A 16 12 E Strand -138.54 139.09 8.2 4QBU ASG SER A 17 13 E Strand -142.59 160.35 15.2 4QBU ASG ALA A 18 14 E Strand -161.54 172.23 5.6 4QBU ASG LYS A 19 15 C Coil -84.97 -13.13 145.2 4QBU ASG SER A 20 16 C Coil -142.67 162.56 48.4 4QBU ASG LYS A 21 17 H AlphaHelix -68.67 -35.23 59.4 4QBU ASG ASP A 22 18 H AlphaHelix -61.31 -45.32 96.0 4QBU ASG ALA A 23 19 H AlphaHelix -65.24 -38.36 33.6 4QBU ASG LEU A 24 20 H AlphaHelix -60.60 -46.98 0.0 4QBU ASG ASP A 25 21 H AlphaHelix -67.18 -38.00 33.1 4QBU ASG ARG A 26 22 H AlphaHelix -62.69 -42.33 155.4 4QBU ASG MET A 27 23 H AlphaHelix -66.19 -35.09 68.7 4QBU ASG THR A 28 24 H AlphaHelix -64.85 -45.70 0.6 4QBU ASG LEU A 29 25 H AlphaHelix -68.66 -42.56 70.6 4QBU ASG ASN A 30 26 H AlphaHelix -58.32 -42.69 83.1 4QBU ASG LEU A 31 27 H AlphaHelix -65.73 -43.80 8.0 4QBU ASG GLY A 32 28 H AlphaHelix -55.62 -46.81 0.0 4QBU ASG ASN A 33 29 H AlphaHelix -64.68 -40.45 66.5 4QBU ASG HIS A 34 30 H AlphaHelix -63.12 -43.48 37.3 4QBU ASG LEU A 35 31 H AlphaHelix -67.37 -34.21 0.6 4QBU ASG GLU A 36 32 H AlphaHelix -69.01 -35.10 111.5 4QBU ASG GLN A 37 33 H AlphaHelix -80.02 -22.89 138.8 4QBU ASG ASN A 38 34 T Turn -130.50 72.04 72.4 4QBU ASG PRO A 39 35 T Turn -68.97 -12.83 73.6 4QBU ASG HIS A 40 36 T Turn -94.78 1.91 181.5 4QBU ASG VAL A 41 37 T Turn -45.40 147.78 28.4 4QBU ASG ASN A 42 38 C Coil -82.48 114.17 74.8 4QBU ASG LEU A 43 39 H AlphaHelix -65.80 -39.64 20.7 4QBU ASG ALA A 44 40 H AlphaHelix -63.34 -39.60 7.7 4QBU ASG ASP A 45 41 H AlphaHelix -65.51 -36.25 15.8 4QBU ASG ALA A 46 42 H AlphaHelix -64.67 -45.52 1.2 4QBU ASG SER A 47 43 H AlphaHelix -58.27 -46.61 0.4 4QBU ASG TYR A 48 44 H AlphaHelix -62.36 -43.68 47.9 4QBU ASG THR A 49 45 H AlphaHelix -60.58 -35.50 4.2 4QBU ASG LEU A 50 46 H AlphaHelix -75.44 -15.51 20.8 4QBU ASG GLN A 51 47 H AlphaHelix -107.95 -51.41 4.3 4QBU ASG ILE A 52 48 T Turn -70.92 126.26 28.1 4QBU ASG GLY A 53 49 T Turn 64.67 11.40 82.7 4QBU ASG ARG A 54 50 T Turn -83.49 139.07 106.1 4QBU ASG LYS A 55 51 C Coil -61.02 138.34 164.0 4QBU ASG GLU A 56 52 C Coil -111.07 122.71 57.7 4QBU ASG PHE A 57 53 T Turn -100.33 175.88 66.0 4QBU ASG LYS A 58 54 T Turn -79.56 -26.87 79.4 4QBU ASG HIS A 59 55 E Strand -92.92 119.27 23.3 4QBU ASG ARG A 60 56 E Strand -127.63 140.96 7.2 4QBU ASG ARG A 61 57 E Strand -132.78 140.94 1.2 4QBU ASG ALA A 62 58 E Strand -152.18 153.38 0.4 4QBU ASG LEU A 63 59 E Strand -150.43 162.64 2.2 4QBU ASG VAL A 64 60 E Strand -111.92 135.80 4.2 4QBU ASG CYS A 65 61 E Strand -140.32 164.76 0.0 4QBU ASG SER A 66 62 C Coil -120.86 4.43 62.3 4QBU ASG SER A 67 63 C Coil -155.04 158.64 49.6 4QBU ASG THR A 68 64 H AlphaHelix -59.74 -42.17 22.9 4QBU ASG GLN A 69 65 H AlphaHelix -59.99 -39.84 105.7 4QBU ASG GLU A 70 66 H AlphaHelix -65.80 -37.16 37.1 4QBU ASG GLY A 71 67 H AlphaHelix -67.47 -43.38 0.0 4QBU ASG ILE A 72 68 H AlphaHelix -57.16 -45.74 4.0 4QBU ASG GLU A 73 69 H AlphaHelix -60.70 -38.43 92.8 4QBU ASG GLN A 74 70 H AlphaHelix -75.04 -44.88 5.0 4QBU ASG LEU A 75 71 H AlphaHelix -63.54 -28.70 0.8 4QBU ASG ASN A 76 72 H AlphaHelix -73.97 -12.68 70.0 4QBU ASG GLN A 77 73 T Turn -122.62 72.76 131.5 4QBU ASG PRO A 78 74 T Turn -54.60 -29.40 18.8 4QBU ASG ASP A 79 75 T Turn -102.79 13.46 103.3 4QBU ASG GLY A 80 76 T Turn -64.32 154.39 12.8 4QBU ASG ARG A 81 77 T Turn -84.11 -3.46 241.3 4QBU ASG ARG A 82 78 T Turn -67.99 -27.77 129.2 4QBU ASG VAL A 83 79 T Turn -96.18 141.27 11.6 4QBU ASG GLN A 84 80 E Strand -95.29 140.92 50.9 4QBU ASG TYR A 85 81 E Strand -142.18 143.17 84.1 4QBU ASG ALA A 86 82 E Strand -157.86 158.51 23.0 4QBU ASG ASN A 87 83 E Strand -107.33 108.15 50.0 4QBU ASG VAL A 88 84 T Turn -68.23 121.44 11.0 4QBU ASG LYS A 89 85 T Turn -103.51 -31.98 172.0 4QBU ASG GLU A 90 86 T Turn -107.54 109.67 84.1 4QBU ASG GLU A 91 87 T Turn -78.91 -17.61 102.2 4QBU ASG HIS A 92 88 T Turn -129.88 66.76 157.0 4QBU ASG PRO A 93 89 T Turn -67.05 152.78 18.8 4QBU ASG LYS A 94 90 C Coil -75.77 131.70 84.5 4QBU ASG ILE A 95 91 E Strand -108.22 127.27 20.3 4QBU ASG HIS A 96 92 E Strand -116.32 128.45 3.2 4QBU ASG PHE A 97 93 E Strand -87.29 133.54 0.0 4QBU ASG LEU A 98 94 E Strand -114.19 112.56 0.0 4QBU ASG PHE A 99 95 E Strand -90.15 122.52 0.0 4QBU ASG SER A 100 96 C Coil -65.09 149.40 5.8 4QBU ASG GLY A 101 97 C Coil -86.07 -178.50 6.0 4QBU ASG ASN A 102 98 T Turn -63.85 151.04 42.9 4QBU ASG GLY A 103 99 T Turn 130.56 -18.10 42.0 4QBU ASG SER A 104 100 T Turn -114.34 7.40 54.0 4QBU ASG GLN A 105 101 T Turn -67.78 150.36 34.0 4QBU ASG TYR A 106 102 T Turn -152.88 155.09 18.2 4QBU ASG VAL A 107 103 T Turn -59.08 137.89 14.4 4QBU ASG ASN A 108 104 T Turn 68.79 13.17 35.8 4QBU ASG MET A 109 105 T Turn -62.66 132.83 0.0 4QBU ASG GLY A 110 106 T Turn 79.50 6.58 1.0 4QBU ASG LEU A 111 107 H AlphaHelix -51.11 -43.28 48.1 4QBU ASG GLU A 112 108 H AlphaHelix -67.79 -30.11 38.0 4QBU ASG LEU A 113 109 H AlphaHelix -70.81 -37.98 4.2 4QBU ASG TYR A 114 110 H AlphaHelix -61.56 -41.65 21.0 4QBU ASG GLU A 115 111 H AlphaHelix -70.74 -37.00 113.4 4QBU ASG GLN A 116 112 H AlphaHelix -102.16 -35.16 84.1 4QBU ASG GLU A 117 113 C Coil -105.52 113.37 6.6 4QBU ASG ALA A 118 114 H AlphaHelix -59.23 -39.21 12.9 4QBU ASG ILE A 119 115 H AlphaHelix -64.10 -44.68 29.6 4QBU ASG PHE A 120 116 H AlphaHelix -65.14 -47.62 0.0 4QBU ASG ARG A 121 117 H AlphaHelix -60.42 -39.26 79.4 4QBU ASG GLU A 122 118 H AlphaHelix -67.69 -40.71 124.5 4QBU ASG ALA A 123 119 H AlphaHelix -65.18 -42.99 9.5 4QBU ASG MET A 124 120 H AlphaHelix -64.29 -43.38 0.0 4QBU ASG ASP A 125 121 H AlphaHelix -65.59 -33.03 63.9 4QBU ASG GLU A 126 122 H AlphaHelix -63.72 -46.48 103.4 4QBU ASG CYS A 127 123 H AlphaHelix -59.26 -44.09 0.0 4QBU ASG PHE A 128 124 H AlphaHelix -65.01 -37.50 13.7 4QBU ASG ALA A 129 125 H AlphaHelix -65.14 -44.48 62.8 4QBU ASG ILE A 130 126 H AlphaHelix -65.43 -43.16 27.3 4QBU ASG LEU A 131 127 H AlphaHelix -60.52 -46.47 0.8 4QBU ASG GLN A 132 128 H AlphaHelix -59.44 -37.06 83.7 4QBU ASG SER A 133 129 H AlphaHelix -66.00 -35.08 90.2 4QBU ASG PHE A 134 130 H AlphaHelix -105.77 -15.36 55.9 4QBU ASG THR A 135 131 H AlphaHelix -104.13 -17.15 29.4 4QBU ASG ASN A 136 132 C Coil 62.07 21.12 133.4 4QBU ASG VAL A 137 133 C Coil -117.93 135.55 50.7 4QBU ASG ASN A 138 134 C Coil -83.65 99.11 50.4 4QBU ASG MET A 139 135 H AlphaHelix -80.65 -15.73 4.8 4QBU ASG LYS A 140 136 H AlphaHelix -59.47 -35.50 64.9 4QBU ASG GLU A 141 137 H AlphaHelix -63.36 -25.47 65.7 4QBU ASG VAL A 142 138 H AlphaHelix -84.84 -48.31 3.0 4QBU ASG LEU A 143 139 H AlphaHelix -71.23 -44.12 0.4 4QBU ASG TYR A 144 140 C Coil -127.74 72.50 5.1 4QBU ASG PRO A 145 141 T Turn -62.96 131.80 21.8 4QBU ASG THR A 146 142 T Turn -127.50 -9.16 116.5 4QBU ASG THR A 147 143 T Turn -123.16 -30.36 118.2 4QBU ASG PHE A 148 144 T Turn -80.81 155.91 64.8 4QBU ASG SER A 149 145 C Coil -72.20 157.96 43.4 4QBU ASG ILE A 150 146 H AlphaHelix -55.13 -40.87 76.3 4QBU ASG ASN A 151 147 H AlphaHelix -48.65 -47.97 122.9 4QBU ASG GLU A 152 148 H AlphaHelix -75.60 -39.29 90.9 4QBU ASG ALA A 153 149 H AlphaHelix -60.73 -43.32 0.0 4QBU ASG THR A 154 150 H AlphaHelix -59.48 -41.32 65.5 4QBU ASG GLU A 155 151 H AlphaHelix -64.05 -44.63 148.3 4QBU ASG LYS A 156 152 H AlphaHelix -68.18 -32.65 44.7 4QBU ASG LEU A 157 153 H AlphaHelix -66.70 -17.03 12.0 4QBU ASG LYS A 158 154 H AlphaHelix -74.46 -22.77 172.7 4QBU ASG ARG A 159 155 C Coil -71.33 132.37 119.2 4QBU ASG MET A 160 156 H AlphaHelix -65.34 -29.08 62.7 4QBU ASG GLU A 161 157 H AlphaHelix -73.78 -13.65 61.5 4QBU ASG PHE A 162 158 H AlphaHelix -96.79 -50.54 18.8 4QBU ASG SER A 163 159 H AlphaHelix -63.76 -36.94 12.0 4QBU ASG GLN A 164 160 H AlphaHelix -68.94 -49.23 3.4 4QBU ASG PRO A 165 161 H AlphaHelix -71.49 -28.88 0.0 4QBU ASG ILE A 166 162 H AlphaHelix -64.83 -43.90 1.7 4QBU ASG LEU A 167 163 H AlphaHelix -63.91 -44.86 1.8 4QBU ASG PHE A 168 164 H AlphaHelix -54.42 -51.30 0.0 4QBU ASG ALA A 169 165 H AlphaHelix -61.48 -43.03 0.4 4QBU ASG PHE A 170 166 H AlphaHelix -61.49 -45.61 0.0 4QBU ASG GLU A 171 167 H AlphaHelix -68.64 -40.29 0.0 4QBU ASG TYR A 172 168 H AlphaHelix -54.91 -46.62 21.8 4QBU ASG ALA A 173 169 H AlphaHelix -67.63 -39.95 0.0 4QBU ASG VAL A 174 170 H AlphaHelix -57.22 -48.82 2.0 4QBU ASG ALA A 175 171 H AlphaHelix -61.93 -41.33 0.0 4QBU ASG LYS A 176 172 H AlphaHelix -66.49 -31.76 72.9 4QBU ASG LEU A 177 173 H AlphaHelix -62.67 -49.35 0.8 4QBU ASG LEU A 178 174 H AlphaHelix -64.71 -45.33 0.6 4QBU ASG MET A 179 175 H AlphaHelix -63.10 -34.79 27.8 4QBU ASG GLY A 180 176 H AlphaHelix -70.83 -15.72 22.5 4QBU ASG TRP A 181 177 H AlphaHelix -99.18 15.39 2.0 4QBU ASG GLY A 182 178 C Coil 84.51 7.85 27.5 4QBU ASG ILE A 183 179 C Coil -97.45 101.59 0.2 4QBU ASG LYS A 184 180 C Coil -116.05 140.64 121.2 4QBU ASG PRO A 185 181 T Turn -79.56 137.53 15.9 4QBU ASG GLU A 186 182 T Turn -79.19 -29.97 93.0 4QBU ASG ALA A 187 183 E Strand -158.15 168.08 0.0 4QBU ASG MET A 188 184 E Strand -142.43 161.60 0.2 4QBU ASG ILE A 189 185 E Strand -152.48 143.42 0.2 4QBU ASG GLY A 190 186 E Strand -114.43 149.17 0.0 4QBU ASG TYR A 191 187 T Turn -91.42 104.81 38.5 4QBU ASG SER A 192 188 T Turn 60.65 -109.13 19.2 4QBU ASG PHE A 193 189 H AlphaHelix -54.66 -30.69 0.4 4QBU ASG GLY A 194 190 H AlphaHelix -57.00 -21.85 0.0 4QBU ASG GLU A 195 191 H AlphaHelix -60.16 -28.59 0.0 4QBU ASG TYR A 196 192 H AlphaHelix -65.47 -36.79 0.4 4QBU ASG VAL A 197 193 H AlphaHelix -71.64 -40.07 0.0 4QBU ASG ALA A 198 194 H AlphaHelix -55.72 -48.88 0.0 4QBU ASG ALA A 199 195 H AlphaHelix -62.19 -37.03 0.0 4QBU ASG CYS A 200 196 H AlphaHelix -66.08 -44.80 7.9 4QBU ASG LEU A 201 197 H AlphaHelix -65.05 -26.70 9.7 4QBU ASG ALA A 202 198 H AlphaHelix -82.92 -0.82 0.0 4QBU ASG GLU A 203 199 T Turn 66.26 27.04 100.6 4QBU ASG VAL A 204 200 T Turn -60.59 -40.29 0.0 4QBU ASG PHE A 205 201 T Turn -136.84 156.46 2.4 4QBU ASG THR A 206 202 T Turn -66.12 164.56 59.5 4QBU ASG LEU A 207 203 H AlphaHelix -61.33 -42.57 18.5 4QBU ASG GLU A 208 204 H AlphaHelix -58.30 -47.83 88.0 4QBU ASG ASP A 209 205 H AlphaHelix -69.09 -34.03 21.0 4QBU ASG ALA A 210 206 H AlphaHelix -62.58 -45.74 0.0 4QBU ASG LEU A 211 207 H AlphaHelix -64.68 -40.40 0.0 4QBU ASG LYS A 212 208 H AlphaHelix -62.24 -41.16 51.5 4QBU ASG LEU A 213 209 H AlphaHelix -63.64 -46.51 0.0 4QBU ASG VAL A 214 210 H AlphaHelix -73.02 -27.24 0.0 4QBU ASG VAL A 215 211 H AlphaHelix -66.41 -42.45 4.6 4QBU ASG LYS A 216 212 H AlphaHelix -66.17 -41.66 37.7 4QBU ASG ARG A 217 213 H AlphaHelix -57.98 -51.22 5.2 4QBU ASG GLY A 218 214 H AlphaHelix -59.14 -45.58 0.0 4QBU ASG GLN A 219 215 H AlphaHelix -58.60 -47.59 97.2 4QBU ASG LEU A 220 216 H AlphaHelix -65.91 -42.69 13.7 4QBU ASG MET A 221 217 H AlphaHelix -67.56 -24.07 14.3 4QBU ASG SER A 222 218 H AlphaHelix -63.92 -18.73 45.6 4QBU ASG SER A 223 219 C Coil -83.30 -5.15 82.4 4QBU ASG LEU A 224 220 C Coil -98.76 135.78 35.2 4QBU ASG PRO A 225 221 C Coil -62.65 152.09 118.0 4QBU ASG ALA A 226 222 C Coil -68.92 132.44 99.4 4QBU ASG GLY A 227 223 C Coil -99.49 -152.96 30.1 4QBU ASG VAL A 228 224 E Strand -133.97 144.76 7.8 4QBU ASG MET A 229 225 E Strand -115.96 142.77 21.4 4QBU ASG LEU A 230 226 E Strand -135.11 126.11 0.0 4QBU ASG SER A 231 227 E Strand -89.49 134.41 27.1 4QBU ASG VAL A 232 228 E Strand -129.86 121.11 0.4 4QBU ASG PRO A 233 229 T Turn -83.18 61.73 62.1 4QBU ASG LEU A 234 230 T Turn -134.72 156.71 41.5 4QBU ASG PRO A 235 231 C Coil -73.10 162.15 64.9 4QBU ASG GLU A 236 232 H AlphaHelix -43.23 -51.11 31.8 4QBU ASG GLU A 237 233 H AlphaHelix -61.72 -30.48 116.9 4QBU ASG GLU A 238 234 H AlphaHelix -74.48 -40.77 96.2 4QBU ASG LEU A 239 235 H AlphaHelix -58.92 -38.73 0.0 4QBU ASG ILE A 240 236 H AlphaHelix -58.25 -45.48 51.8 4QBU ASG HIS A 241 237 H AlphaHelix -66.73 -42.71 109.6 4QBU ASG LEU A 242 238 H AlphaHelix -63.11 -40.05 16.7 4QBU ASG ILE A 243 239 H AlphaHelix -69.80 -44.47 11.6 4QBU ASG ASN A 244 240 H AlphaHelix -58.82 -46.30 75.1 4QBU ASG SER A 245 241 H AlphaHelix -63.85 -42.86 58.2 4QBU ASG PHE A 246 242 H AlphaHelix -59.54 -46.32 1.0 4QBU ASG GLU A 247 243 H AlphaHelix -64.41 -31.03 73.8 4QBU ASG LYS A 248 244 H AlphaHelix -80.08 -24.59 185.7 4QBU ASG GLU A 249 245 H AlphaHelix -93.89 -30.08 131.2 4QBU ASG TYR A 250 246 C Coil -115.52 163.06 50.4 4QBU ASG GLN A 251 247 C Coil -96.61 59.83 193.9 4QBU ASG HIS A 252 248 C Coil -145.84 155.96 38.5 4QBU ASG THR A 253 249 C Coil -107.43 144.35 46.1 4QBU ASG ILE A 254 250 C Coil -128.95 134.06 4.7 4QBU ASG SER A 255 251 E Strand -104.21 140.37 8.6 4QBU ASG LEU A 256 252 E Strand -83.76 106.36 20.6 4QBU ASG ALA A 257 253 E Strand -87.38 -42.00 3.0 4QBU ASG VAL A 258 254 E Strand -145.03 136.23 5.0 4QBU ASG VAL A 259 255 E Strand -106.39 117.68 4.0 4QBU ASG ASN A 260 256 E Strand -116.12 42.66 14.4 4QBU ASG GLY A 261 257 T Turn 85.61 -114.25 24.3 4QBU ASG PRO A 262 258 T Turn -82.66 3.78 86.0 4QBU ASG ALA A 263 259 E Strand -139.59 153.37 20.6 4QBU ASG CYS A 264 260 E Strand -132.09 157.21 0.4 4QBU ASG ILE A 265 261 E Strand -111.75 133.10 14.2 4QBU ASG VAL A 266 262 E Strand -114.56 162.47 0.0 4QBU ASG SER A 267 263 E Strand -148.02 160.57 2.0 4QBU ASG GLY A 268 264 E Strand 177.34 -176.00 1.2 4QBU ASG THR A 269 265 C Coil -66.37 163.28 52.8 4QBU ASG GLU A 270 266 H AlphaHelix -56.83 -42.48 97.8 4QBU ASG GLU A 271 267 H AlphaHelix -60.59 -47.51 131.6 4QBU ASG ALA A 272 268 H AlphaHelix -64.94 -47.27 1.0 4QBU ASG ILE A 273 269 H AlphaHelix -62.55 -38.50 0.0 4QBU ASG VAL A 274 270 H AlphaHelix -61.38 -40.73 48.3 4QBU ASG ASP A 275 271 H AlphaHelix -64.35 -37.75 40.9 4QBU ASG PHE A 276 272 H AlphaHelix -69.81 -42.18 0.8 4QBU ASG GLU A 277 273 H AlphaHelix -59.62 -38.36 43.0 4QBU ASG ASN A 278 274 H AlphaHelix -61.11 -43.42 72.5 4QBU ASG GLU A 279 275 H AlphaHelix -65.45 -42.31 28.1 4QBU ASG LEU A 280 276 H AlphaHelix -59.97 -40.60 0.4 4QBU ASG LYS A 281 277 H AlphaHelix -60.33 -39.02 159.7 4QBU ASG LYS A 282 278 H AlphaHelix -63.84 -32.92 121.0 4QBU ASG GLN A 283 279 H AlphaHelix -88.55 5.35 91.7 4QBU ASG ARG A 284 280 C Coil 56.62 40.88 216.1 4QBU ASG LEU A 285 281 C Coil -104.80 140.77 50.5 4QBU ASG MET A 286 282 C Coil -65.54 149.76 148.2 4QBU ASG CYS A 287 283 C Coil -163.03 165.88 48.7 4QBU ASG MET A 288 284 E Strand -154.48 135.05 123.9 4QBU ASG ARG A 289 285 E Strand -70.45 143.57 90.6 4QBU ASG VAL A 290 286 C Coil -142.15 35.63 45.5 4QBU ASG THR A 291 287 C Coil -61.28 134.25 70.1 4QBU ASG ILE A 292 288 C Coil -126.63 360.00 120.2 4QBU ASG ALA A 296 289 C Coil 360.00 -174.69 57.0 4QBU ASG HIS A 297 290 C Coil -144.51 67.80 5.6 4QBU ASG SER A 298 291 C Coil -143.19 171.87 4.2 4QBU ASG HIS A 299 292 G 310Helix -51.02 -33.66 78.5 4QBU ASG GLU A 300 293 G 310Helix -59.87 -21.18 45.3 4QBU ASG LEU A 301 294 G 310Helix -78.57 -11.48 2.8 4QBU ASG ASP A 302 295 G 310Helix -53.42 -38.62 66.5 4QBU ASG SER A 303 296 G 310Helix -69.01 -10.48 106.1 4QBU ASG ILE A 304 297 G 310Helix -109.72 -4.47 8.2 4QBU ASG LEU A 305 298 H AlphaHelix -65.29 -35.65 23.2 4QBU ASG ASP A 306 299 H AlphaHelix -66.41 -42.67 143.1 4QBU ASG GLU A 307 300 H AlphaHelix -67.07 -38.69 104.5 4QBU ASG TYR A 308 301 H AlphaHelix -65.38 -43.94 0.4 4QBU ASG ALA A 309 302 H AlphaHelix -58.47 -45.95 27.7 4QBU ASG SER A 310 303 H AlphaHelix -58.47 -47.82 77.8 4QBU ASG TYR A 311 304 H AlphaHelix -60.06 -49.11 60.0 4QBU ASG VAL A 312 305 H AlphaHelix -58.73 -32.90 0.6 4QBU ASG SER A 313 306 H AlphaHelix -61.81 -18.62 77.1 4QBU ASG THR A 314 307 C Coil -89.38 -9.26 97.1 4QBU ASG LEU A 315 308 C Coil -93.42 163.21 19.0 4QBU ASG THR A 316 309 C Coil -92.60 126.01 67.1 4QBU ASG LEU A 317 310 C Coil -116.05 132.07 29.4 4QBU ASG ARG A 318 311 C Coil -123.71 160.85 129.0 4QBU ASG GLU A 319 312 C Coil -68.35 141.42 119.8 4QBU ASG PRO A 320 313 T Turn -64.63 145.69 31.0 4QBU ASG LYS A 321 314 T Turn -101.01 -8.99 144.8 4QBU ASG ILE A 322 315 T Turn -128.15 131.63 32.3 4QBU ASG PRO A 323 316 T Turn -71.05 149.43 65.7 4QBU ASG TYR A 324 317 B Bridge -154.37 165.64 0.9 4QBU ASG LEU A 325 318 B Bridge -86.26 142.02 0.4 4QBU ASG SER A 326 319 T Turn -87.91 129.85 0.5 4QBU ASG ASN A 327 320 T Turn -71.83 -26.54 1.6 4QBU ASG LEU A 328 321 T Turn -68.70 -43.26 45.6 4QBU ASG THR A 329 322 T Turn -101.14 -20.52 50.5 4QBU ASG GLY A 330 323 T Turn 78.70 6.10 6.1 4QBU ASG THR A 331 324 C Coil -131.66 -178.63 63.5 4QBU ASG TRP A 332 325 B Bridge -52.00 130.86 80.6 4QBU ASG ILE A 333 326 C Coil -62.81 139.17 15.1 4QBU ASG ARG A 334 327 C Coil -86.83 148.00 135.7 4QBU ASG PRO A 335 328 H AlphaHelix -51.46 -46.11 40.5 4QBU ASG GLU A 336 329 H AlphaHelix -68.72 -14.83 101.8 4QBU ASG GLU A 337 330 H AlphaHelix -82.92 -50.15 46.6 4QBU ASG ALA A 338 331 H AlphaHelix -57.56 -32.41 0.0 4QBU ASG THR A 339 332 H AlphaHelix -91.61 3.03 45.7 4QBU ASG ASN A 340 333 C Coil -99.22 116.79 72.3 4QBU ASG PRO A 341 334 H AlphaHelix -56.45 -32.08 34.7 4QBU ASG VAL A 342 335 H AlphaHelix -64.70 -28.60 72.0 4QBU ASG TYR A 343 336 H AlphaHelix -57.17 -42.38 7.7 4QBU ASG TRP A 344 337 H AlphaHelix -67.63 -38.96 0.0 4QBU ASG VAL A 345 338 H AlphaHelix -61.91 -46.46 19.6 4QBU ASG LYS A 346 339 H AlphaHelix -65.21 -33.28 123.5 4QBU ASG HIS A 347 340 H AlphaHelix -65.72 -34.29 2.4 4QBU ASG MET A 348 341 H AlphaHelix -64.18 -40.14 1.6 4QBU ASG ARG A 349 342 H AlphaHelix -92.49 -28.51 74.1 4QBU ASG GLY A 350 343 C Coil -88.68 165.39 16.6 4QBU ASG THR A 351 344 C Coil -62.35 137.10 36.4 4QBU ASG VAL A 352 345 B Bridge -85.85 110.73 0.2 4QBU ASG ARG A 353 346 C Coil -89.65 64.02 49.3 4QBU ASG PHE A 354 347 H AlphaHelix -65.76 -48.25 0.0 4QBU ASG SER A 355 348 H AlphaHelix -65.21 -33.33 13.9 4QBU ASG ASP A 356 349 H AlphaHelix -60.35 -42.70 45.1 4QBU ASG GLY A 357 350 H AlphaHelix -66.53 -43.93 0.6 4QBU ASG ILE A 358 351 H AlphaHelix -62.75 -40.70 1.2 4QBU ASG GLN A 359 352 H AlphaHelix -60.33 -39.64 138.2 4QBU ASG GLU A 360 353 H AlphaHelix -63.00 -47.57 57.0 4QBU ASG LEU A 361 354 H AlphaHelix -63.36 -32.33 6.6 4QBU ASG ASN A 362 355 H AlphaHelix -81.96 4.16 34.9 4QBU ASG ARG A 363 356 T Turn -60.00 -30.75 193.2 4QBU ASG ASP A 364 357 T Turn -98.14 104.79 39.1 4QBU ASG ASN A 365 358 T Turn -83.18 9.00 115.8 4QBU ASG THR A 366 359 T Turn -103.28 0.86 55.4 4QBU ASG SER A 367 360 T Turn -69.83 154.49 0.0 4QBU ASG LEU A 368 361 E Strand -122.51 139.49 6.4 4QBU ASG PHE A 369 362 E Strand -117.41 134.04 0.0 4QBU ASG ILE A 370 363 E Strand -117.07 118.39 0.0 4QBU ASG GLU A 371 364 E Strand -80.75 125.32 3.0 4QBU ASG ILE A 372 365 E Strand -100.91 117.06 0.0 4QBU ASG GLY A 373 366 C Coil 98.38 166.99 0.0 4QBU ASG PRO A 374 367 C Coil -74.33 148.04 1.4 4QBU ASG GLY A 375 368 C Coil 159.66 90.38 3.4 4QBU ASG ASN A 376 369 H AlphaHelix -64.60 -44.95 62.0 4QBU ASG ASP A 377 370 H AlphaHelix -61.06 -38.52 133.0 4QBU ASG LEU A 378 371 H AlphaHelix -68.29 -39.59 16.2 4QBU ASG SER A 379 372 H AlphaHelix -63.55 -43.28 11.2 4QBU ASG ARG A 380 373 H AlphaHelix -65.98 -43.87 156.8 4QBU ASG LEU A 381 374 H AlphaHelix -60.73 -46.49 16.0 4QBU ASG THR A 382 375 H AlphaHelix -64.14 -42.49 0.0 4QBU ASG SER A 383 376 H AlphaHelix -57.02 -45.79 9.2 4QBU ASG ARG A 384 377 H AlphaHelix -65.59 -35.30 123.6 4QBU ASG LEU A 385 378 H AlphaHelix -71.04 -29.42 42.7 4QBU ASG LEU A 386 379 H AlphaHelix -72.05 -45.52 8.6 4QBU ASG ASP A 387 380 T Turn -168.54 121.34 71.0 4QBU ASG TYR A 388 381 T Turn -55.90 -43.31 183.4 4QBU ASG GLU A 389 382 T Turn -83.07 -46.13 148.5 4QBU ASG ASN A 390 383 T Turn -126.63 20.27 85.3 4QBU ASG GLY A 391 384 G 310Helix -59.44 -28.57 0.8 4QBU ASG ASN A 392 385 G 310Helix -52.17 -34.39 106.4 4QBU ASG GLU A 393 386 G 310Helix -67.79 -13.86 122.5 4QBU ASG ARG A 394 387 G 310Helix -114.10 7.99 29.7 4QBU ASG ILE A 395 388 E Strand -124.35 139.32 3.5 4QBU ASG PHE A 396 389 E Strand -130.68 134.26 0.0 4QBU ASG ASN A 397 390 C Coil -103.93 170.00 24.7 4QBU ASG THR A 398 391 C Coil -125.75 -29.70 2.4 4QBU ASG VAL A 399 392 C Coil -135.81 132.82 9.7 4QBU ASG ARG A 400 393 C Coil -68.57 156.99 43.0 4QBU ASG SER A 401 394 T Turn -78.98 159.84 11.7 4QBU ASG VAL A 402 395 T Turn -58.17 -33.22 86.3 4QBU ASG GLN A 403 396 T Turn -86.13 -13.96 136.0 4QBU ASG GLN A 404 397 T Turn -73.85 115.93 76.1 4QBU ASG ASP A 405 398 T Turn -90.09 82.44 173.0 4QBU ASG VAL A 406 399 T Turn -146.95 147.28 38.8 4QBU ASG SER A 407 400 C Coil -60.21 140.33 29.0 4QBU ASG ASP A 408 401 H AlphaHelix -66.59 -38.46 15.9 4QBU ASG MET A 409 402 H AlphaHelix -72.94 -38.87 0.6 4QBU ASG TYR A 410 403 H AlphaHelix -56.24 -44.69 65.9 4QBU ASG PHE A 411 404 H AlphaHelix -62.98 -48.14 21.3 4QBU ASG LEU A 412 405 H AlphaHelix -61.18 -45.20 1.8 4QBU ASG PHE A 413 406 H AlphaHelix -70.85 -31.24 0.6 4QBU ASG SER A 414 407 H AlphaHelix -58.91 -43.93 24.5 4QBU ASG HIS A 415 408 H AlphaHelix -74.41 -31.69 24.1 4QBU ASG ILE A 416 409 H AlphaHelix -66.08 -35.64 2.0 4QBU ASG THR A 417 410 H AlphaHelix -64.18 -37.66 1.2 4QBU ASG ARG A 418 411 H AlphaHelix -65.75 -43.57 48.9 4QBU ASG MET A 419 412 H AlphaHelix -57.88 -46.23 0.4 4QBU ASG TRP A 420 413 H AlphaHelix -68.73 -40.47 6.4 4QBU ASG VAL A 421 414 H AlphaHelix -68.94 -20.84 4.0 4QBU ASG THR A 422 415 H AlphaHelix -86.96 -7.92 40.9 4QBU ASG GLY A 423 416 C Coil 119.19 2.44 1.5 4QBU ASG ILE A 424 417 C Coil -81.70 125.78 1.0 4QBU ASG SER A 425 418 C Coil -86.48 145.76 60.0 4QBU ASG VAL A 426 419 C Coil -117.14 133.43 11.7 4QBU ASG ASP A 427 420 C Coil -77.14 92.92 58.2 4QBU ASG TRP A 428 421 H AlphaHelix -67.99 -25.21 15.7 4QBU ASG GLU A 429 422 H AlphaHelix -59.79 -41.23 136.1 4QBU ASG GLN A 430 423 H AlphaHelix -74.98 -39.45 79.3 4QBU ASG PHE A 431 424 H AlphaHelix -54.30 -36.31 9.8 4QBU ASG TYR A 432 425 H AlphaHelix -102.46 14.66 14.4 4QBU ASG LYS A 433 426 T Turn -62.92 -22.79 87.2 4QBU ASG ASP A 434 427 T Turn -112.20 17.52 101.0 4QBU ASG GLU A 435 428 T Turn -127.07 156.42 28.0 4QBU ASG LYS A 436 429 C Coil -110.61 108.66 144.7 4QBU ASG ARG A 437 430 C Coil -118.58 163.17 25.7 4QBU ASG ARG A 438 431 C Coil -133.26 142.98 164.2 4QBU ASG ARG A 439 432 C Coil -70.82 138.64 153.7 4QBU ASG ILE A 440 433 C Coil -125.97 161.96 28.1 4QBU ASG PRO A 441 434 C Coil -69.24 135.59 107.6 4QBU ASG LEU A 442 435 C Coil -138.90 156.01 42.4 4QBU ASG PRO A 443 436 C Coil -66.43 360.00 101.5 4QBU