REM -------------------------------------------------------------------- 1DG9 REM 1DG9 REM STRIDE: Knowledge-based secondary structure assignment 1DG9 REM Please cite: D.Frishman & P.Argos, Proteins XX, XXX-XXX, 1995 1DG9 REM 1DG9 REM Residue accessible surface area calculation 1DG9 REM Please cite: F.Eisenhaber & P.Argos, J.Comp.Chem. 14, 1272-1280, 1993 1DG9 REM F.Eisenhaber et al., J.Comp.Chem., 1994, submitted 1DG9 REM 1DG9 REM ------------------------ General information ----------------------- 1DG9 REM 1DG9 HDR HYDROLASE 23-NOV-99 1DG9 1DG9 CMP MOL_ID: 1; 1DG9 CMP MOLECULE: TYROSINE PHOSPHATASE; 1DG9 CMP CHAIN: A; 1DG9 CMP EC: 3.1.3.48; 1DG9 CMP ENGINEERED: YES 1DG9 SRC MOL_ID: 1; 1DG9 SRC ORGANISM_SCIENTIFIC: BOS TAURUS; 1DG9 SRC ORGANISM_COMMON: CATTLE; 1DG9 SRC ORGANISM_TAXID: 9913; 1DG9 SRC ORGAN: HEART; 1DG9 SRC EXPRESSION_SYSTEM: ESCHERICHIA COLI; 1DG9 SRC EXPRESSION_SYSTEM_TAXID: 562; 1DG9 SRC EXPRESSION_SYSTEM_PLASMID: PET 1DG9 AUT M.ZHANG,M.ZHOU,R.L.VAN ETTEN,C.V.STAUFFACHER 1DG9 REM 1DG9 REM -------------------- Secondary structure summary ------------------- 1DG9 REM 1DG9 CHN /home/proj/stride/tmp/tmpqmBacApdb A 1DG9 REM 1DG9 REM . . . . . 1DG9 SEQ 1 AEQVTKSVLFVCLGNICRSPIAEAVFRKLVTDQNISDNWVIDSGAVSDWN 50 1DG9 STR EEEEEEETTT HHHHHHHHHHHHHHHHH GGGEEEEEEE TTT 1DG9 REM 1DG9 REM . . . . . 1DG9 SEQ 51 VGRSPDPRAVSCLRNHGINTAHKARQVTKEDFVTFDYILCMDESNLRDLN 100 1DG9 STR TTb HHHHHHHHHH b B HHHHHTTEEEE HHHHHHHH 1DG9 REM 1DG9 REM . . . . . 1DG9 SEQ 101 RKSNQVKNCRAKIELLGSYDPQKQLIIEDPYYGNDADFETVYQQCVRCCR 150 1DG9 STR HHHHHTTTT EEEEGGGGTTTT TTTT HHHHHHHHHHHHHHHH 1DG9 REM 1DG9 REM 1DG9 SEQ 151 AFLEKVR 157 1DG9 STR HHHHHH 1DG9 REM 1DG9 REM 1DG9 REM 1DG9 LOC AlphaHelix CYS 17 A GLN 33 A 1DG9 LOC AlphaHelix PRO 57 A HIS 66 A 1DG9 LOC AlphaHelix GLU 80 A THR 84 A 1DG9 LOC AlphaHelix GLU 93 A GLN 105 A 1DG9 LOC AlphaHelix ASP 135 A VAL 156 A 1DG9 LOC 310Helix SER 36 A ASN 38 A 1DG9 LOC 310Helix LEU 116 A TYR 119 A 1DG9 LOC Strand LYS 6 A CYS 12 A 1DG9 LOC Strand TRP 39 A ALA 45 A 1DG9 LOC Strand TYR 87 A CYS 90 A 1DG9 LOC Strand LYS 112 A LEU 115 A 1DG9 LOC TurnI CYS 12 A ASN 15 A 1DG9 LOC TurnI ASP 48 A VAL 51 A 1DG9 LOC TurnII ASN 50 A ARG 53 A 1DG9 LOC TurnVIII PHE 85 A ILE 88 A 1DG9 LOC TurnIV VAL 106 A CYS 109 A 1DG9 LOC TurnI ASP 120 A LYS 123 A 1DG9 LOC TurnI PRO 130 A GLY 133 A 1DG9 REM 1DG9 REM --------------- Detailed secondary structure assignment------------- 1DG9 REM 1DG9 REM |---Residue---| |--Structure--| |-Phi-| |-Psi-| |-Area-| 1DG9 ASG ALA A 1 1 C Coil 360.00 87.28 151.8 1DG9 ASG GLU A 2 2 C Coil -146.08 149.29 169.2 1DG9 ASG GLN A 3 3 C Coil -164.54 -148.25 98.9 1DG9 ASG VAL A 4 4 C Coil -115.74 160.28 90.4 1DG9 ASG THR A 5 5 C Coil -96.34 118.73 91.6 1DG9 ASG LYS A 6 6 E Strand -109.61 155.89 48.7 1DG9 ASG SER A 7 7 E Strand -141.22 147.55 11.2 1DG9 ASG VAL A 8 8 E Strand -142.57 138.64 0.0 1DG9 ASG LEU A 9 9 E Strand -117.04 121.43 0.0 1DG9 ASG PHE A 10 10 E Strand -90.44 133.56 0.0 1DG9 ASG VAL A 11 11 E Strand -129.76 135.74 0.0 1DG9 ASG CYS A 12 12 E Strand -134.35 -173.33 2.2 1DG9 ASG LEU A 13 13 T Turn -69.69 -50.80 77.4 1DG9 ASG GLY A 14 14 T Turn -104.08 -14.07 11.7 1DG9 ASG ASN A 15 15 T Turn 58.57 33.08 0.9 1DG9 ASG ILE A 16 16 C Coil -121.43 -27.98 21.6 1DG9 ASG CYS A 17 17 H AlphaHelix -113.32 -59.81 6.5 1DG9 ASG ARG A 18 18 H AlphaHelix -77.17 -57.33 5.4 1DG9 ASG SER A 19 19 H AlphaHelix -65.85 -32.43 0.0 1DG9 ASG PRO A 20 20 H AlphaHelix -69.56 -30.87 0.4 1DG9 ASG ILE A 21 21 H AlphaHelix -69.99 -49.66 0.2 1DG9 ASG ALA A 22 22 H AlphaHelix -59.48 -47.11 0.0 1DG9 ASG GLU A 23 23 H AlphaHelix -54.24 -47.42 7.0 1DG9 ASG ALA A 24 24 H AlphaHelix -68.77 -37.36 4.9 1DG9 ASG VAL A 25 25 H AlphaHelix -62.87 -44.04 4.4 1DG9 ASG PHE A 26 26 H AlphaHelix -64.72 -42.06 0.0 1DG9 ASG ARG A 27 27 H AlphaHelix -62.59 -37.79 109.8 1DG9 ASG LYS A 28 28 H AlphaHelix -64.42 -37.27 87.9 1DG9 ASG LEU A 29 29 H AlphaHelix -66.28 -48.35 18.2 1DG9 ASG VAL A 30 30 H AlphaHelix -65.40 -36.00 0.8 1DG9 ASG THR A 31 31 H AlphaHelix -68.91 -44.81 73.0 1DG9 ASG ASP A 32 32 H AlphaHelix -60.56 -24.77 94.9 1DG9 ASG GLN A 33 33 H AlphaHelix -96.95 10.02 52.9 1DG9 ASG ASN A 34 34 C Coil 59.12 29.14 145.5 1DG9 ASG ILE A 35 35 C Coil -121.22 16.99 14.6 1DG9 ASG SER A 36 36 G 310Helix -54.08 -37.24 46.7 1DG9 ASG ASP A 37 37 G 310Helix -60.21 -15.90 152.9 1DG9 ASG ASN A 38 38 G 310Helix -105.70 10.25 24.1 1DG9 ASG TRP A 39 39 E Strand -132.09 142.94 20.7 1DG9 ASG VAL A 40 40 E Strand -112.99 124.33 79.3 1DG9 ASG ILE A 41 41 E Strand -129.29 140.48 13.4 1DG9 ASG ASP A 42 42 E Strand -153.41 174.12 39.5 1DG9 ASG SER A 43 43 E Strand -139.21 150.28 0.0 1DG9 ASG GLY A 44 44 E Strand -155.29 168.18 0.0 1DG9 ASG ALA A 45 45 E Strand -114.11 150.21 1.6 1DG9 ASG VAL A 46 46 C Coil -71.13 -39.99 18.5 1DG9 ASG SER A 47 47 C Coil -90.55 149.46 37.8 1DG9 ASG ASP A 48 48 T Turn -96.71 -0.11 109.8 1DG9 ASG TRP A 49 49 T Turn -61.00 -31.47 207.1 1DG9 ASG ASN A 50 50 T Turn -111.16 12.80 26.4 1DG9 ASG VAL A 51 51 T Turn -56.13 142.17 77.2 1DG9 ASG GLY A 52 52 T Turn 82.95 -12.25 30.4 1DG9 ASG ARG A 53 53 b Bridge -79.36 153.62 156.7 1DG9 ASG SER A 54 54 C Coil -76.93 165.22 87.5 1DG9 ASG PRO A 55 55 C Coil -68.09 153.25 13.8 1DG9 ASG ASP A 56 56 C Coil -49.24 141.81 17.4 1DG9 ASG PRO A 57 57 H AlphaHelix -63.58 -25.74 97.9 1DG9 ASG ARG A 58 58 H AlphaHelix -74.07 -30.00 56.8 1DG9 ASG ALA A 59 59 H AlphaHelix -72.41 -42.07 0.6 1DG9 ASG VAL A 60 60 H AlphaHelix -57.06 -48.63 29.3 1DG9 ASG SER A 61 61 H AlphaHelix -72.98 -23.59 40.5 1DG9 ASG CYS A 62 62 H AlphaHelix -70.05 -46.68 5.9 1DG9 ASG LEU A 63 63 H AlphaHelix -60.13 -39.93 2.0 1DG9 ASG ARG A 64 64 H AlphaHelix -59.71 -39.69 154.1 1DG9 ASG ASN A 65 65 H AlphaHelix -55.17 -31.50 131.0 1DG9 ASG HIS A 66 66 H AlphaHelix -98.93 11.39 65.9 1DG9 ASG GLY A 67 67 C Coil 76.97 17.13 55.8 1DG9 ASG ILE A 68 68 C Coil -113.48 147.36 13.1 1DG9 ASG ASN A 69 69 C Coil -121.28 161.09 122.8 1DG9 ASG THR A 70 70 C Coil -143.89 150.46 41.7 1DG9 ASG ALA A 71 71 C Coil -125.64 19.38 100.2 1DG9 ASG HIS A 72 72 C Coil -65.67 148.76 22.6 1DG9 ASG LYS A 73 73 C Coil -121.29 128.90 135.5 1DG9 ASG ALA A 74 74 b Bridge -51.50 138.92 5.8 1DG9 ASG ARG A 75 75 C Coil -142.89 156.61 60.2 1DG9 ASG GLN A 76 76 B Bridge -88.87 151.53 80.7 1DG9 ASG VAL A 77 77 C Coil -72.74 145.36 1.3 1DG9 ASG THR A 78 78 C Coil -129.42 174.72 49.5 1DG9 ASG LYS A 79 79 C Coil -61.00 -36.14 111.2 1DG9 ASG GLU A 80 80 H AlphaHelix -66.97 -30.63 117.3 1DG9 ASG ASP A 81 81 H AlphaHelix -49.50 -36.33 8.2 1DG9 ASG PHE A 82 82 H AlphaHelix -74.72 -19.10 1.8 1DG9 ASG VAL A 83 83 H AlphaHelix -108.37 -10.14 44.9 1DG9 ASG THR A 84 84 H AlphaHelix -104.47 -23.18 72.4 1DG9 ASG PHE A 85 85 T Turn -98.16 146.18 13.6 1DG9 ASG ASP A 86 86 T Turn -74.07 -38.61 43.9 1DG9 ASG TYR A 87 87 E Strand -135.12 136.82 48.3 1DG9 ASG ILE A 88 88 E Strand -118.49 112.34 0.0 1DG9 ASG LEU A 89 89 E Strand -110.38 121.70 0.0 1DG9 ASG CYS A 90 90 E Strand -114.97 169.37 0.0 1DG9 ASG MET A 91 91 C Coil -88.07 -40.61 0.0 1DG9 ASG ASP A 92 92 C Coil -140.02 175.55 27.3 1DG9 ASG GLU A 93 93 H AlphaHelix -68.79 -31.93 107.7 1DG9 ASG SER A 94 94 H AlphaHelix -59.70 -45.46 54.1 1DG9 ASG ASN A 95 95 H AlphaHelix -61.11 -38.47 2.0 1DG9 ASG LEU A 96 96 H AlphaHelix -65.23 -44.56 42.3 1DG9 ASG ARG A 97 97 H AlphaHelix -60.69 -42.24 148.9 1DG9 ASG ASP A 98 98 H AlphaHelix -59.59 -45.79 34.1 1DG9 ASG LEU A 99 99 H AlphaHelix -67.52 -38.35 0.0 1DG9 ASG ASN A 100 100 H AlphaHelix -64.15 -34.96 68.3 1DG9 ASG ARG A 101 101 H AlphaHelix -62.35 -48.56 135.5 1DG9 ASG LYS A 102 102 H AlphaHelix -67.18 -35.87 42.2 1DG9 ASG SER A 103 103 H AlphaHelix -65.31 -23.73 10.7 1DG9 ASG ASN A 104 104 H AlphaHelix -62.29 -31.77 127.8 1DG9 ASG GLN A 105 105 H AlphaHelix -74.42 1.17 129.9 1DG9 ASG VAL A 106 106 T Turn -109.69 121.92 18.3 1DG9 ASG LYS A 107 107 T Turn -72.07 -55.40 190.6 1DG9 ASG ASN A 108 108 T Turn -105.49 54.13 102.4 1DG9 ASG CYS A 109 109 T Turn -66.36 122.85 48.6 1DG9 ASG ARG A 110 110 C Coil -118.33 -7.58 123.5 1DG9 ASG ALA A 111 111 C Coil -75.83 145.77 13.3 1DG9 ASG LYS A 112 112 E Strand -93.20 128.80 103.5 1DG9 ASG ILE A 113 113 E Strand -110.17 124.79 27.8 1DG9 ASG GLU A 114 114 E Strand -153.48 163.16 26.5 1DG9 ASG LEU A 115 115 E Strand -72.66 137.42 17.8 1DG9 ASG LEU A 116 116 G 310Helix -64.05 -40.66 0.0 1DG9 ASG GLY A 117 117 G 310Helix -58.12 -16.84 1.8 1DG9 ASG SER A 118 118 G 310Helix -69.40 -7.65 64.8 1DG9 ASG TYR A 119 119 G 310Helix -101.93 -2.77 26.0 1DG9 ASG ASP A 120 120 T Turn -67.56 117.60 4.9 1DG9 ASG PRO A 121 121 T Turn -60.72 -24.59 82.9 1DG9 ASG GLN A 122 122 T Turn -88.80 -2.14 116.4 1DG9 ASG LYS A 123 123 T Turn 70.00 14.15 164.6 1DG9 ASG GLN A 124 124 C Coil -80.33 93.76 83.6 1DG9 ASG LEU A 125 125 C Coil -56.10 -41.85 86.3 1DG9 ASG ILE A 126 126 C Coil -98.69 136.60 40.1 1DG9 ASG ILE A 127 127 C Coil -103.62 103.91 0.0 1DG9 ASG GLU A 128 128 C Coil -71.50 144.69 130.1 1DG9 ASG ASP A 129 129 C Coil -64.72 118.97 78.6 1DG9 ASG PRO A 130 130 T Turn -96.89 5.33 4.4 1DG9 ASG TYR A 131 131 T Turn -46.04 -49.14 97.9 1DG9 ASG TYR A 132 132 T Turn -88.27 6.96 216.8 1DG9 ASG GLY A 133 133 T Turn -93.97 -164.95 27.0 1DG9 ASG ASN A 134 134 C Coil -116.07 -171.65 95.6 1DG9 ASG ASP A 135 135 H AlphaHelix -56.85 -33.65 106.9 1DG9 ASG ALA A 136 136 H AlphaHelix -69.89 -28.12 61.3 1DG9 ASG ASP A 137 137 H AlphaHelix -65.86 -38.15 64.6 1DG9 ASG PHE A 138 138 H AlphaHelix -65.35 -39.15 0.4 1DG9 ASG GLU A 139 139 H AlphaHelix -62.28 -37.66 55.9 1DG9 ASG THR A 140 140 H AlphaHelix -69.99 -34.87 68.8 1DG9 ASG VAL A 141 141 H AlphaHelix -61.77 -43.06 1.8 1DG9 ASG TYR A 142 142 H AlphaHelix -59.26 -46.40 30.5 1DG9 ASG GLN A 143 143 H AlphaHelix -58.14 -45.63 73.1 1DG9 ASG GLN A 144 144 H AlphaHelix -63.66 -42.17 9.0 1DG9 ASG CYS A 145 145 H AlphaHelix -62.03 -41.45 0.0 1DG9 ASG VAL A 146 146 H AlphaHelix -56.20 -49.19 15.0 1DG9 ASG ARG A 147 147 H AlphaHelix -57.91 -52.73 49.3 1DG9 ASG CYS A 148 148 H AlphaHelix -62.83 -42.85 0.0 1DG9 ASG CYS A 149 149 H AlphaHelix -68.71 -35.62 0.0 1DG9 ASG ARG A 150 150 H AlphaHelix -65.11 -39.06 133.7 1DG9 ASG ALA A 151 151 H AlphaHelix -67.26 -42.22 31.0 1DG9 ASG PHE A 152 152 H AlphaHelix -58.65 -46.97 0.0 1DG9 ASG LEU A 153 153 H AlphaHelix -61.31 -40.61 0.0 1DG9 ASG GLU A 154 154 H AlphaHelix -62.92 -36.77 96.4 1DG9 ASG LYS A 155 155 H AlphaHelix -82.67 -18.49 141.4 1DG9 ASG VAL A 156 156 H AlphaHelix -110.07 -14.15 14.7 1DG9 ASG ARG A 157 157 C Coil -43.61 360.00 133.2 1DG9