==== Secondary Structure Definition by the program DSSP, CMBI version 3.0 ==== DATE=2018-01-04 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 07-JUN-17 5W39 . COMPND MOL_ID: 1; MOLECULE: POLYISOPRENOID-BINDING PROTEIN; CHAIN: A; FRAGMEN . SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; ORGANISM_TAXID: . AUTHOR T.R.HUBER,C.D.SNOW . 171 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12772.9 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 35.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 2 0 1 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA CHAIN AUTHCHAIN 1 21 A M 0 0 192 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.8 77.7 -43.2 38.5 A A 2 22 A K - 0 0 171 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.931 360.0-126.8-135.1 155.7 74.5 -41.3 39.2 A A 3 23 A E - 0 0 175 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.864 26.0-168.4-109.9 139.9 71.4 -42.2 41.3 A A 4 24 A Y - 0 0 203 -2,-0.4 2,-0.4 0, 0.0 0, 0.0 -0.775 15.6-147.2-126.9 169.5 67.9 -42.1 39.9 A A 5 25 A T - 0 0 132 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.995 32.6-110.7-137.2 129.0 64.4 -42.2 41.2 A A 6 26 A L - 0 0 114 -2,-0.4 2,-0.8 1,-0.1 3,-0.1 -0.154 14.6-136.0 -55.1 148.6 61.6 -43.8 39.1 A A 7 27 A D > - 0 0 89 1,-0.1 3,-1.6 3,-0.1 -1,-0.1 -0.927 19.5-162.4-102.2 99.5 58.9 -41.5 37.7 A A 8 28 A K G > S+ 0 0 178 -2,-0.8 3,-1.0 1,-0.3 -1,-0.1 0.739 82.5 63.9 -53.9 -26.7 56.1 -43.8 38.6 A A 9 29 A A G 3 S+ 0 0 81 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.747 112.4 32.2 -75.7 -25.7 53.8 -42.0 36.1 A A 10 30 A H G < S+ 0 0 163 -3,-1.6 2,-0.3 2,-0.0 -1,-0.2 -0.159 105.7 92.6-120.7 36.0 55.8 -43.0 33.0 A A 11 31 A T < - 0 0 66 -3,-1.0 2,-0.4 -5,-0.1 -5,-0.0 -0.966 50.4-171.6-125.8 141.1 57.0 -46.4 34.4 A A 12 32 A D - 0 0 146 -2,-0.3 2,-1.1 2,-0.0 -3,-0.0 -0.963 13.8-161.2-135.9 114.3 55.3 -49.8 33.9 A A 13 33 A V + 0 0 139 -2,-0.4 2,-0.2 2,-0.0 -2,-0.0 -0.811 42.6 174.6 -92.9 89.8 56.4 -52.9 35.8 A A 14 34 A G - 0 0 52 -2,-1.1 2,-0.3 2,-0.0 -2,-0.0 -0.534 26.9-179.1-111.3 163.4 54.6 -55.3 33.4 A A 15 35 A F - 0 0 184 -2,-0.2 2,-0.4 2,-0.0 -2,-0.0 -0.978 9.7-157.7-156.4 155.5 54.2 -59.0 32.5 A A 16 36 A K + 0 0 212 -2,-0.3 2,-0.4 2,-0.0 -2,-0.0 -0.999 12.8 176.9-139.3 132.5 52.4 -61.1 29.9 A A 17 37 A I - 0 0 147 -2,-0.4 2,-0.4 2,-0.0 -2,-0.0 -0.999 24.3-127.8-141.7 139.9 51.4 -64.8 30.2 A A 18 38 A K + 0 0 209 -2,-0.4 2,-0.3 0, 0.0 -2,-0.0 -0.675 30.4 174.5 -86.1 132.1 49.5 -67.0 27.8 A A 19 39 A H - 0 0 138 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.985 25.5-126.6-134.3 160.4 46.5 -69.0 28.9 A A 20 40 A L - 0 0 166 -2,-0.3 2,-0.3 2,-0.0 0, 0.0 -0.650 20.1-168.4 -91.5 147.0 43.8 -71.2 27.4 A A 21 41 A Q - 0 0 162 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.970 12.3-144.8-139.5 127.1 40.0 -70.7 27.9 A A 22 42 A I + 0 0 172 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.652 28.9 163.9 -84.6 139.8 37.3 -73.1 27.0 A A 23 43 A S - 0 0 101 -2,-0.3 2,-0.6 2,-0.0 -2,-0.0 -0.971 36.1-113.0-153.2 154.7 34.0 -71.7 25.7 A A 24 44 A N - 0 0 149 -2,-0.3 2,-0.7 2,-0.0 -2,-0.0 -0.826 17.3-146.7 -89.3 122.2 30.9 -72.9 23.8 A A 25 45 A V - 0 0 74 -2,-0.6 2,-0.3 2,-0.0 34,-0.0 -0.864 24.4-167.1 -80.7 119.6 30.3 -71.7 20.3 A A 26 46 A K + 0 0 78 -2,-0.7 2,-0.3 33,-0.2 -2,-0.0 -0.818 16.6 152.0-106.1 147.5 26.5 -71.6 20.1 A A 27 47 A G - 0 0 56 -2,-0.3 2,-0.2 32,-0.1 32,-0.2 -0.983 23.8-165.4-168.1 157.2 24.6 -71.2 16.8 A A 28 48 A N E -A 58 0A 92 30,-1.6 30,-2.3 -2,-0.3 2,-0.4 -0.696 29.3-108.5-132.2-168.8 21.5 -71.8 14.8 A A 29 49 A F E -A 57 0A 50 28,-0.2 28,-0.2 -2,-0.2 3,-0.1 -0.994 12.2-157.6-131.1 124.3 20.4 -71.7 11.1 A A 30 50 A K S S+ 0 0 81 26,-2.2 2,-0.5 -2,-0.4 -1,-0.1 0.800 81.8 49.6 -71.2 -27.7 18.1 -68.9 9.8 A A 31 51 A D + 0 0 85 22,-0.4 22,-2.8 2,-0.0 2,-0.3 -0.925 68.5 117.9-127.6 120.1 17.0 -71.0 6.8 A A 32 52 A Y E -B 52 0B 148 -2,-0.5 2,-0.3 20,-0.3 20,-0.3 -0.970 37.9-141.3-163.0 159.9 15.7 -74.6 6.8 A A 33 53 A S E -B 51 0B 71 18,-3.2 18,-2.7 -2,-0.3 2,-0.3 -0.970 14.7-169.4-131.5 155.1 12.6 -76.6 6.0 A A 34 54 A A E -B 50 0B 49 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.997 21.8-149.3-142.4 154.7 10.8 -79.6 7.5 A A 35 55 A V E -B 49 0B 71 14,-2.4 14,-1.5 -2,-0.3 2,-0.6 -0.976 26.3-172.0-112.4 108.5 8.1 -82.1 6.9 A A 36 56 A I E +B 48 0B 55 -2,-0.5 2,-0.6 12,-0.2 12,-0.2 -0.911 11.0 178.9-110.2 112.1 6.6 -83.1 10.3 A A 37 57 A D E +B 47 0B 80 10,-2.8 9,-3.7 -2,-0.6 10,-1.4 -0.959 17.2 163.2-111.1 118.1 4.0 -86.0 10.6 A A 38 58 A F E -B 45 0B 36 -2,-0.6 7,-0.2 7,-0.3 -2,-0.0 -0.997 30.9-146.4-141.6 140.4 2.9 -86.6 14.2 A A 39 59 A D E >>> -B 44 0B 61 5,-2.5 4,-1.6 -2,-0.3 3,-1.2 -0.867 5.1-168.9-111.3 100.3 -0.1 -88.5 15.8 A A 40 60 A P T 345S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 81,-0.1 0.788 84.2 67.1 -60.5 -28.0 -1.4 -86.8 19.0 A A 41 61 A A T 345S+ 0 0 94 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.878 121.3 16.6 -54.8 -40.5 -3.5 -89.9 19.8 A A 42 62 A S T <45S- 0 0 30 -3,-1.2 -1,-0.2 2,-0.2 3,-0.1 0.425 99.0-124.2-115.3 -2.2 -0.4 -92.1 20.4 A A 43 63 A A T <5 + 0 0 7 -4,-1.6 2,-0.4 1,-0.2 50,-0.1 0.909 65.1 137.8 46.4 49.4 2.3 -89.3 20.8 A A 44 64 A E E < -B 39 0B 60 -5,-1.1 -5,-2.5 47,-0.1 2,-0.3 -0.951 53.9-130.8-119.5 139.8 4.4 -90.9 18.0 A A 45 65 A F E -B 38 0B 8 -2,-0.4 -7,-0.3 -7,-0.2 44,-0.2 -0.696 19.2-176.4 -84.3 145.5 6.3 -89.3 15.1 A A 46 66 A K E + 0 0B 128 -9,-3.7 2,-0.3 1,-0.5 -8,-0.2 0.697 69.8 2.0-113.9 -35.1 5.5 -90.8 11.7 A A 47 67 A K E +B 37 0B 91 -10,-1.4 -10,-2.8 41,-0.0 -1,-0.5 -0.957 57.0 177.4-155.3 132.7 7.9 -88.9 9.5 A A 48 68 A L E +B 36 0B 4 -2,-0.3 38,-3.5 -12,-0.2 2,-0.4 -0.883 11.1 165.0-141.3 115.0 10.5 -86.2 10.3 A A 49 69 A D E -BC 35 85B 42 -14,-1.5 -14,-2.4 -2,-0.3 2,-0.4 -0.999 9.4-178.3-133.9 121.5 12.6 -84.8 7.4 A A 50 70 A V E -BC 34 84B 25 34,-3.3 34,-2.6 -2,-0.4 2,-0.4 -0.969 10.9-168.4-127.6 141.3 14.6 -81.6 7.8 A A 51 71 A T E -BC 33 83B 45 -18,-2.7 -18,-3.2 -2,-0.4 2,-0.4 -0.998 10.1-165.7-130.0 133.5 16.8 -79.7 5.3 A A 52 72 A I E -BC 32 82B 27 30,-3.1 30,-2.8 -2,-0.4 2,-0.9 -0.972 19.7-131.5-125.1 134.4 19.0 -77.0 6.5 A A 53 73 A K E > - C 0 81B 82 -22,-2.8 3,-2.7 -2,-0.4 -22,-0.4 -0.773 12.2-157.5 -88.3 104.7 20.8 -74.3 4.3 A A 54 74 A I G > S+ 0 0 2 26,-2.0 3,-2.2 -2,-0.9 -1,-0.2 0.866 90.3 66.1 -47.8 -42.0 24.4 -74.3 5.5 A A 55 75 A A G 3 S+ 0 0 76 25,-0.6 -1,-0.3 1,-0.3 14,-0.1 0.697 93.2 62.6 -52.8 -21.2 24.7 -70.7 4.1 A A 56 76 A S G < S+ 0 0 20 -3,-2.7 -26,-2.2 -25,-0.3 -1,-0.3 0.367 73.7 137.3 -93.4 6.2 22.2 -69.6 6.7 A A 57 77 A V E < -A 29 0A 15 -3,-2.2 2,-0.3 -28,-0.2 -28,-0.2 -0.106 33.1-168.3 -49.5 144.0 24.4 -70.5 9.7 A A 58 78 A N E +A 28 0A 42 -30,-2.3 -30,-1.6 2,-0.1 4,-0.1 -0.818 27.4 158.3-145.4 105.6 24.5 -67.9 12.5 A A 59 79 A T - 0 0 17 2,-0.3 -33,-0.2 -2,-0.3 -32,-0.1 -0.021 69.4-102.3-111.8 29.3 27.0 -68.0 15.3 A A 60 80 A E S S+ 0 0 156 1,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.909 98.1 93.1 48.7 53.4 26.6 -64.3 16.1 A A 61 81 A N > - 0 0 60 1,-0.1 4,-2.2 2,-0.0 -2,-0.3 -0.659 63.4-151.8-174.0 109.7 29.9 -63.4 14.3 A A 62 82 A Q H > S+ 0 0 136 1,-0.2 4,-2.0 -2,-0.2 5,-0.2 0.914 95.3 48.5 -55.8 -51.5 30.1 -62.4 10.7 A A 63 83 A T H > S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.801 112.8 48.4 -65.8 -29.2 33.7 -63.6 10.0 A A 64 84 A R H > S+ 0 0 80 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.930 106.9 54.8 -76.3 -46.7 33.1 -67.1 11.6 A A 65 85 A D H X S+ 0 0 15 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.928 112.1 45.3 -49.1 -49.2 29.8 -67.6 9.7 A A 66 86 A N H >X S+ 0 0 80 -4,-2.0 3,-0.7 1,-0.2 4,-0.6 0.915 110.4 53.2 -58.2 -47.9 31.7 -67.0 6.4 A A 67 87 A H H >< S+ 0 0 85 -4,-1.9 3,-1.3 1,-0.2 5,-0.3 0.859 100.9 61.2 -61.4 -32.3 34.6 -69.2 7.5 A A 68 88 A L H 3< S+ 0 0 26 -4,-2.6 6,-3.3 1,-0.3 7,-0.4 0.852 98.4 58.9 -63.9 -32.8 32.1 -72.1 8.2 A A 69 89 A Q H << S+ 0 0 39 -4,-1.1 7,-1.3 -3,-0.7 8,-0.5 0.731 91.9 97.2 -60.3 -27.8 31.2 -72.0 4.5 A A 70 90 A Q S X<>S- 0 0 101 -3,-1.3 3,-1.8 -4,-0.6 5,-1.6 0.052 92.6 -92.1 -69.3 173.8 34.9 -72.7 3.5 A A 71 91 A D T 3 5S+ 0 0 125 1,-0.3 76,-0.1 3,-0.2 -1,-0.1 0.617 121.9 57.4 -57.1 -24.5 36.7 -76.0 2.5 A A 72 92 A D T 3 5S+ 0 0 59 -5,-0.3 78,-0.3 75,-0.1 -1,-0.3 0.456 121.5 20.1 -98.5 -0.6 37.8 -76.8 6.0 A A 73 93 A F T < 5S- 0 0 32 -3,-1.8 74,-0.4 -6,-0.2 -4,-0.2 0.136 132.3 -14.9-123.9-114.2 34.2 -76.7 7.4 A A 74 94 A F T 5 - 0 0 21 -6,-3.3 -5,-0.2 -7,-0.1 -3,-0.2 0.756 64.3-147.2 -72.6 -29.7 30.9 -77.1 5.5 A A 75 95 A K >< - 0 0 75 -5,-1.6 4,-2.8 -7,-0.4 3,-0.5 0.916 23.6-179.7 56.4 49.1 32.2 -76.6 1.9 A A 76 96 A A T 4 S+ 0 0 14 -7,-1.3 -21,-0.1 2,-0.2 -6,-0.1 0.636 70.4 66.3 -51.7 -29.2 28.8 -74.9 1.0 A A 77 97 A K T 4 S+ 0 0 107 -8,-0.5 -1,-0.2 2,-0.1 -7,-0.1 0.995 118.4 25.6 -54.9 -59.1 29.8 -74.3 -2.6 A A 78 98 A K T 4 S+ 0 0 135 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.1 0.856 138.4 28.5 -74.3 -37.7 29.8 -78.2 -3.1 A A 79 99 A Y < + 0 0 78 -4,-2.8 -1,-0.2 -5,-0.2 27,-0.2 -0.784 65.2 169.1-129.9 84.8 27.4 -79.2 -0.3 A A 80 100 A P + 0 0 61 0, 0.0 -26,-2.0 0, 0.0 -25,-0.6 0.659 59.9 46.6 -74.6 -18.9 24.9 -76.3 0.4 A A 81 101 A D E -C 53 0B 59 -28,-0.2 2,-0.4 -27,-0.1 25,-0.3 -0.928 60.2-147.8-130.0 149.8 22.5 -78.3 2.6 A A 82 102 A M E -C 52 0B 16 -30,-2.8 -30,-3.1 -2,-0.4 2,-0.4 -0.959 23.7-158.0-111.5 141.0 22.4 -80.6 5.6 A A 83 103 A T E -CD 51 104B 41 21,-1.3 21,-2.5 -2,-0.4 2,-0.4 -0.930 15.7-170.8-120.1 138.2 19.7 -83.2 5.8 A A 84 104 A F E -CD 50 103B 14 -34,-2.6 -34,-3.3 -2,-0.4 2,-0.4 -0.998 8.6-176.4-122.1 132.3 18.1 -85.2 8.6 A A 85 105 A T E -CD 49 102B 63 17,-1.9 17,-2.6 -2,-0.4 -36,-0.2 -0.976 22.7-132.2-129.5 113.0 15.6 -88.0 7.7 A A 86 106 A M E + D 0 101B 23 -38,-3.5 15,-0.3 -2,-0.4 -38,-0.2 -0.417 26.8 172.3 -62.7 132.1 13.8 -89.9 10.5 A A 87 107 A K E + 0 0B 134 13,-3.8 2,-0.3 1,-0.4 14,-0.2 0.592 66.7 9.5-109.4 -15.6 14.0 -93.8 10.1 A A 88 108 A K E - 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