==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 30-NOV-09 3KVD . COMPND 2 MOLECULE: LIPOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR L.CENDRON,D.VEGGI,E.GIRARDI,G.ZANOTTI . 242 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 73.1 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 . 124 51.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.5 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 . 0 0.0 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 . 27 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 0 0 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 . 2 2 1 1 3 0 2 1 2 2 0 1 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 1 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 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 1 79 D A 0 0 78 0, 0.0 55,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -2.8 16.9 -26.9 -18.0 2 80 D G > + 0 0 30 53,-0.1 4,-2.4 3,-0.0 5,-0.2 0.655 360.0 139.0 76.9 18.8 14.9 -30.2 -18.0 3 81 D L H > + 0 0 21 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.894 67.6 49.3 -62.4 -46.0 13.0 -29.2 -14.8 4 82 D A H > S+ 0 0 26 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.923 113.7 45.8 -59.4 -48.5 9.6 -30.6 -16.0 5 83 D D H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.886 106.8 58.5 -65.1 -35.9 11.1 -34.0 -17.0 6 84 D A H < S+ 0 0 1 -4,-2.4 45,-1.1 1,-0.2 -1,-0.2 0.866 113.3 40.5 -58.9 -33.9 13.0 -34.2 -13.8 7 85 D L H < S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.736 134.7 16.3 -84.8 -26.0 9.6 -33.9 -12.0 8 86 D T H < S+ 0 0 79 -4,-1.5 -3,-0.2 -5,-0.1 -2,-0.2 0.666 98.1 89.3-128.1 -26.2 7.7 -36.2 -14.4 9 87 D A S < S- 0 0 19 -4,-2.7 42,-0.1 -5,-0.2 45,-0.1 -0.555 75.8-108.3 -79.2 146.5 9.8 -38.4 -16.6 10 88 D P - 0 0 111 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.353 45.6 -86.3 -67.0 153.4 11.0 -41.9 -15.5 11 89 D L - 0 0 92 1,-0.0 2,-0.5 2,-0.0 9,-0.1 -0.399 45.9-154.9 -57.4 131.2 14.6 -42.5 -14.7 12 90 D D > - 0 0 63 7,-0.1 3,-2.3 1,-0.1 -1,-0.0 -0.965 14.8-144.3-114.3 125.1 16.4 -43.3 -17.9 13 91 D H T 3 S+ 0 0 148 -2,-0.5 -1,-0.1 1,-0.3 6,-0.0 0.677 101.1 60.0 -59.6 -17.4 19.6 -45.4 -17.7 14 92 D K T 3 S+ 0 0 167 5,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.569 80.1 109.0 -88.2 -9.0 21.0 -43.3 -20.5 15 93 D D < - 0 0 35 -3,-2.3 39,-0.1 1,-0.1 4,-0.1 -0.431 65.6-122.4 -71.4 147.8 20.7 -39.9 -18.7 16 94 D K + 0 0 171 37,-0.5 39,-0.1 -2,-0.1 -1,-0.1 0.035 65.5 20.1 -75.2-170.9 24.0 -38.2 -17.6 17 95 D G S S- 0 0 17 37,-0.1 2,-0.4 70,-0.1 72,-0.3 -0.006 122.9 -16.4 44.9-157.3 25.5 -37.0 -14.2 18 96 D L - 0 0 12 70,-2.4 72,-0.1 73,-0.4 3,-0.1 -0.602 68.4-155.4 -74.2 129.7 24.0 -38.5 -11.1 19 97 D Q S S+ 0 0 64 -2,-0.4 34,-2.4 1,-0.2 2,-0.4 0.827 70.8 21.8 -80.4 -31.3 20.7 -40.1 -12.3 20 98 D S - 0 0 34 31,-0.2 2,-0.6 32,-0.2 -1,-0.2 -0.995 58.1-160.7-147.4 130.2 18.8 -40.1 -9.0 21 99 D L E -A 50 0A 1 29,-2.4 29,-2.9 -2,-0.4 2,-0.5 -0.961 23.5-133.8-113.4 120.0 19.1 -38.1 -5.8 22 100 D T E -A 49 0A 66 -2,-0.6 2,-1.3 27,-0.2 3,-0.3 -0.586 13.0-143.2 -76.0 119.3 17.4 -39.7 -2.8 23 101 D L + 0 0 0 25,-2.8 24,-2.9 -2,-0.5 25,-0.5 -0.698 50.8 133.6 -84.9 91.8 15.4 -37.0 -1.0 24 102 D D S S+ 0 0 87 -2,-1.3 3,-0.3 22,-0.2 -1,-0.2 0.818 78.9 27.4-102.7 -57.2 16.0 -38.1 2.6 25 103 D Q S S+ 0 0 140 -3,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.749 116.0 65.0 -77.0 -23.1 16.8 -34.8 4.4 26 104 D S S S+ 0 0 0 1,-0.2 2,-0.5 -4,-0.2 -1,-0.2 0.746 105.6 42.1 -71.2 -28.9 14.8 -32.8 1.8 27 105 D V S S- 0 0 0 -3,-0.3 -1,-0.2 21,-0.1 20,-0.1 -0.957 85.2-134.6-124.6 113.3 11.4 -34.3 2.8 28 106 D R > - 0 0 127 -2,-0.5 3,-2.1 4,-0.1 18,-0.3 -0.369 28.8-108.9 -62.9 145.9 10.7 -34.8 6.5 29 107 D K T 3 S+ 0 0 164 1,-0.3 17,-0.2 16,-0.1 -1,-0.1 0.726 115.5 36.5 -49.9 -38.9 9.2 -38.3 7.4 30 108 D N T 3 S+ 0 0 156 15,-0.1 40,-0.3 2,-0.1 -1,-0.3 0.135 113.6 72.5-104.7 19.9 5.6 -37.1 8.2 31 109 D E < - 0 0 29 -3,-2.1 15,-0.4 38,-0.1 2,-0.3 -0.685 68.2-131.0-128.0 176.6 5.6 -34.4 5.5 32 110 D K E -B 68 0B 88 36,-3.0 36,-3.2 -2,-0.2 2,-0.5 -0.937 8.4-150.6-129.0 148.7 5.4 -34.0 1.7 33 111 D L E -BC 67 44B 0 11,-2.5 11,-2.6 -2,-0.3 2,-0.5 -0.940 11.7-164.9-125.8 114.4 7.5 -31.9 -0.6 34 112 D K E -BC 66 43B 33 32,-2.8 32,-2.2 -2,-0.5 2,-0.4 -0.848 5.7-167.9-100.0 125.3 5.8 -30.6 -3.6 35 113 D L E -BC 65 42B 0 7,-3.1 7,-2.4 -2,-0.5 2,-0.3 -0.891 5.0-176.6-114.3 142.1 8.0 -29.2 -6.4 36 114 D A E +BC 64 41B 20 28,-2.3 28,-2.7 -2,-0.4 2,-0.2 -0.987 14.6 141.6-139.3 146.0 6.8 -27.2 -9.4 37 115 D A E > + C 0 40B 14 3,-1.6 3,-1.2 -2,-0.3 -30,-0.1 -0.777 66.4 8.9-177.3 135.7 8.5 -25.8 -12.6 38 116 D Q T 3 S- 0 0 148 1,-0.3 3,-0.1 -2,-0.2 -34,-0.1 0.802 128.0 -53.4 64.4 36.7 7.6 -25.4 -16.2 39 117 D G T 3 S+ 0 0 93 1,-0.3 2,-0.3 -35,-0.0 -1,-0.3 0.638 116.8 106.6 67.2 19.0 4.0 -26.4 -15.9 40 118 D A E < -C 37 0B 16 -3,-1.2 -3,-1.6 2,-0.0 2,-0.3 -0.811 45.7-173.6-121.0 164.8 4.9 -29.7 -14.2 41 119 D E E -C 36 0B 117 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.975 7.4-179.3-160.0 141.6 4.6 -30.8 -10.6 42 120 D K E -C 35 0B 83 -7,-2.4 -7,-3.1 -2,-0.3 2,-0.4 -0.984 16.3-147.0-149.0 133.6 5.5 -33.6 -8.3 43 121 D T E -C 34 0B 56 -2,-0.3 2,-0.4 -9,-0.3 -9,-0.3 -0.858 21.0-161.3 -98.3 134.8 4.9 -34.4 -4.6 44 122 D Y E -C 33 0B 3 -11,-2.6 -11,-2.5 -2,-0.4 2,-0.2 -0.920 8.6-157.5-119.2 142.7 7.7 -36.4 -2.8 45 123 D G > - 0 0 13 -2,-0.4 3,-1.8 -13,-0.2 -22,-0.2 -0.627 49.4 -71.0-101.4 168.4 7.7 -38.4 0.4 46 124 D N T 3 S+ 0 0 41 -15,-0.4 -22,-0.2 -18,-0.3 -1,-0.1 -0.400 122.8 23.7 -56.9 132.7 10.8 -39.1 2.4 47 125 D G T 3 S+ 0 0 38 -24,-2.9 -1,-0.2 1,-0.4 -23,-0.2 0.323 90.7 124.4 91.0 -8.9 13.0 -41.6 0.6 48 126 D D < - 0 0 78 -3,-1.8 -25,-2.8 -25,-0.5 2,-0.4 -0.440 57.8-125.4 -74.4 158.5 11.6 -40.8 -2.9 49 127 D S E -A 22 0A 50 -27,-0.3 2,-0.4 -2,-0.1 -27,-0.2 -0.894 4.3-135.3-115.2 144.7 14.2 -39.9 -5.4 50 128 D L E -A 21 0A 0 -29,-2.9 -29,-2.4 -2,-0.4 2,-2.0 -0.764 27.7-121.7 -90.3 137.0 14.5 -36.8 -7.7 51 129 D N > + 0 0 11 -45,-1.1 3,-1.3 -2,-0.4 -31,-0.2 -0.531 42.4 165.7 -83.9 81.5 15.4 -37.6 -11.3 52 130 D T G > + 0 0 0 -2,-2.0 3,-2.0 1,-0.3 -32,-0.2 0.701 61.5 82.4 -73.2 -17.9 18.5 -35.6 -11.4 53 131 D G G 3 S+ 0 0 7 -34,-2.4 -37,-0.5 1,-0.3 -1,-0.3 0.787 89.9 53.5 -53.9 -28.6 19.5 -37.4 -14.6 54 132 D K G < S+ 0 0 49 -3,-1.3 -1,-0.3 -35,-0.3 -2,-0.2 0.632 97.6 87.3 -79.4 -16.1 17.2 -34.9 -16.4 55 133 D L S < S- 0 0 6 -3,-2.0 2,-0.3 -4,-0.2 -53,-0.1 -0.460 86.9-101.4 -88.4 158.2 19.1 -31.9 -14.8 56 134 D K > - 0 0 130 -55,-0.5 3,-0.7 -2,-0.1 31,-0.5 -0.605 38.1-121.0 -76.0 134.4 22.2 -30.1 -16.1 57 135 D N T 3 S+ 0 0 36 -2,-0.3 31,-0.2 1,-0.2 3,-0.1 -0.417 90.3 19.1 -74.6 149.0 25.5 -31.0 -14.4 58 136 D D T 3 S+ 0 0 48 29,-3.7 2,-0.3 1,-0.2 -1,-0.2 0.798 108.8 95.0 63.4 30.1 27.6 -28.3 -12.6 59 137 D K S < S- 0 0 131 -3,-0.7 28,-1.1 28,-0.4 2,-0.5 -0.981 78.4-108.9-144.6 155.5 24.6 -25.9 -12.3 60 138 D V E - D 0 86B 18 -2,-0.3 2,-0.4 26,-0.2 26,-0.2 -0.751 29.7-155.8 -85.8 123.0 21.9 -25.0 -9.8 61 139 D S E - D 0 85B 4 24,-3.1 24,-2.3 -2,-0.5 2,-0.4 -0.918 12.7-148.6-100.1 131.8 18.4 -26.2 -10.9 62 140 D R E + D 0 84B 107 -2,-0.4 2,-0.3 22,-0.2 22,-0.2 -0.880 20.5 170.1-112.6 135.7 15.6 -24.2 -9.4 63 141 D F E - D 0 83B 2 20,-2.3 20,-4.4 -2,-0.4 2,-0.4 -0.955 35.9-116.9-135.6 147.4 12.1 -25.4 -8.4 64 142 D D E -BD 36 82B 100 -28,-2.7 -28,-2.3 -2,-0.3 2,-0.4 -0.729 40.0-159.6 -76.1 135.9 9.2 -23.7 -6.5 65 143 D F E -BD 35 81B 1 16,-2.8 16,-1.8 -2,-0.4 2,-0.4 -0.917 21.6-169.4-120.6 152.3 8.6 -25.8 -3.5 66 144 D I E -BD 34 80B 38 -32,-2.2 -32,-2.8 -2,-0.4 2,-0.5 -0.969 16.5-150.9-132.0 113.3 5.7 -26.2 -1.1 67 145 D R E -BD 33 79B 3 12,-3.2 11,-3.5 -2,-0.4 12,-1.3 -0.768 30.0-177.2 -85.7 127.5 6.5 -28.1 2.0 68 146 D Q E -BD 32 77B 14 -36,-3.2 -36,-3.0 -2,-0.5 2,-0.4 -0.829 30.4-155.6-128.2 161.4 3.3 -29.8 3.1 69 147 D I E - D 0 76B 42 7,-1.6 7,-2.5 -2,-0.3 2,-0.6 -0.995 21.5-137.5-131.8 131.4 1.6 -32.0 5.7 70 148 D E E + D 0 75B 106 -2,-0.4 2,-0.4 -40,-0.3 5,-0.2 -0.839 27.8 174.1 -89.4 120.2 -1.5 -34.0 4.9 71 149 D V E > - D 0 74B 60 3,-3.4 3,-2.6 -2,-0.6 -2,-0.1 -0.991 67.8 -21.6-127.9 119.7 -4.1 -33.8 7.7 72 150 D D T 3 S- 0 0 160 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.865 128.7 -48.2 51.9 40.2 -7.5 -35.4 7.4 73 151 D G T 3 S+ 0 0 65 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.331 117.4 115.7 88.8 -9.8 -7.3 -35.4 3.6 74 152 D Q E < -D 71 0B 127 -3,-2.6 -3,-3.4 2,-0.0 2,-0.7 -0.845 59.1-143.3-102.3 133.1 -6.2 -31.8 3.6 75 153 D L E -D 70 0B 89 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.814 21.0-165.3 -88.8 109.1 -2.8 -30.6 2.3 76 154 D I E -D 69 0B 30 -7,-2.5 -7,-1.6 -2,-0.7 2,-0.4 -0.863 18.9-125.4-102.5 126.3 -1.7 -27.7 4.5 77 155 D T E +D 68 0B 45 -2,-0.5 31,-0.3 -9,-0.2 -9,-0.2 -0.587 30.9 172.0 -71.3 122.9 1.2 -25.5 3.3 78 156 D L E - 0 0 33 -11,-3.5 24,-2.5 1,-0.4 2,-0.3 0.742 66.2 -9.2 -96.7 -34.9 4.0 -25.3 5.9 79 157 D E E -DE 67 101B 12 -12,-1.3 -12,-3.2 22,-0.2 -1,-0.4 -0.982 60.2-170.4-163.9 149.7 6.6 -23.4 3.9 80 158 D S E +DE 66 100B 23 20,-2.2 19,-2.7 -2,-0.3 20,-2.0 -0.979 29.3 96.0-145.3 164.6 7.3 -22.3 0.4 81 159 D G E S-DE 65 98B 12 -16,-1.8 -16,-2.8 -2,-0.3 2,-0.5 -0.975 70.1 -21.7 159.1-145.0 10.1 -20.9 -1.7 82 160 D E E -DE 64 97B 58 15,-2.8 15,-3.9 -2,-0.3 2,-0.7 -0.854 42.3-155.3-106.9 131.7 12.8 -22.0 -4.1 83 161 D F E -DE 63 96B 0 -20,-4.4 -20,-2.3 -2,-0.5 2,-0.4 -0.922 15.8-162.9-104.7 116.3 14.3 -25.5 -4.1 84 162 D Q E -DE 62 95B 6 11,-3.1 11,-2.6 -2,-0.7 2,-0.4 -0.814 6.5-170.1-101.9 138.1 17.8 -25.6 -5.6 85 163 D V E -DE 61 94B 0 -24,-2.3 -24,-3.1 -2,-0.4 2,-0.5 -0.980 5.3-163.6-130.2 120.5 19.5 -28.7 -6.8 86 164 D Y E -DE 60 93B 6 7,-2.6 7,-2.2 -2,-0.4 2,-0.5 -0.928 15.7-158.7-103.5 124.8 23.2 -28.8 -7.7 87 165 D K E + E 0 92B 2 -28,-1.1 -29,-3.7 -2,-0.5 -28,-0.4 -0.886 18.1 168.2-112.7 126.8 24.2 -31.9 -9.8 88 166 D Q - 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