==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 05-OCT-07 2VDF . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR V.CHEREZOV,W.LIU,J.P.DERRICK,B.LUAN,A.AKSIMENTIEV, . 225 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 82.7 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 . 164 72.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 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 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 . 1 0 1 3 0 0 1 0 1 0 1 0 3 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 7 A A 0 0 120 0, 0.0 2,-0.2 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 143.8 12.4 -0.7 -54.2 2 8 A N - 0 0 109 34,-0.1 2,-0.4 35,-0.1 34,-0.2 -0.487 360.0-158.0 -67.1 139.7 13.4 0.8 -50.9 3 9 A E E -A 35 0A 48 32,-2.4 32,-3.0 -2,-0.2 2,-0.4 -0.987 10.1-175.0-128.6 131.9 10.9 0.3 -48.1 4 10 A F E -A 34 0A 85 225,-1.9 225,-3.2 -2,-0.4 2,-0.4 -0.985 2.8-170.4-128.2 128.3 10.7 2.4 -45.0 5 11 A T E -AB 33 228A 8 28,-2.8 28,-2.5 -2,-0.4 2,-0.5 -0.971 9.9-169.2-122.4 131.2 8.4 1.8 -42.0 6 12 A V E +AB 32 227A 52 221,-1.9 221,-2.7 -2,-0.4 2,-0.3 -0.984 26.3 173.0-110.3 130.4 7.6 4.0 -39.0 7 13 A H E -AB 31 226A 16 24,-2.7 24,-2.4 -2,-0.5 2,-0.3 -0.917 24.5-154.4-138.8 160.5 5.7 2.1 -36.4 8 14 A T E -AB 30 225A 61 217,-2.5 217,-2.5 -2,-0.3 2,-0.4 -0.992 13.2-149.6-136.9 146.4 4.4 2.4 -32.8 9 15 A D E -AB 29 224A 4 20,-2.3 20,-1.1 -2,-0.3 2,-0.4 -0.883 11.1-164.6-117.4 145.7 3.6 -0.3 -30.2 10 16 A L E +AB 28 223A 117 213,-2.3 213,-2.3 -2,-0.4 2,-0.3 -0.996 35.8 162.9-121.7 121.1 1.1 -0.6 -27.4 11 17 A S E -AB 27 222A 23 16,-1.6 16,-0.5 -2,-0.4 2,-0.5 -0.918 44.1-131.5-143.3 161.5 2.2 -3.5 -25.2 12 18 A S E - B 0 221A 77 209,-3.1 209,-2.2 -2,-0.3 2,-0.4 -0.975 32.2-171.6-110.0 121.3 2.0 -5.3 -21.9 13 19 A I E + B 0 220A 6 -2,-0.5 11,-2.4 11,-0.2 2,-0.3 -0.941 8.5 174.1-116.3 136.2 5.4 -6.1 -20.4 14 20 A S E -CB 23 219A 13 205,-2.6 205,-3.0 -2,-0.4 2,-0.3 -0.978 6.3-170.3-135.7 154.1 6.2 -8.2 -17.4 15 21 A S E -CB 22 218A 3 7,-2.1 7,-2.9 -2,-0.3 2,-0.4 -0.995 8.1-155.6-143.0 144.4 9.5 -9.4 -15.9 16 22 A T E +CB 21 217A 63 201,-2.3 201,-1.9 -2,-0.3 2,-0.3 -0.980 15.5 169.3-123.1 136.4 10.5 -11.9 -13.2 17 23 A R E > -CB 20 216A 41 3,-1.9 3,-1.9 -2,-0.4 2,-0.2 -0.935 61.7 -45.9-147.9 120.2 13.8 -11.8 -11.3 18 24 A A T 3 S- 0 0 79 197,-0.7 198,-0.0 -2,-0.3 0, 0.0 -0.406 125.0 -18.0 58.0-121.2 14.5 -13.9 -8.2 19 25 A F T 3 S+ 0 0 172 -2,-0.2 41,-1.3 -3,-0.1 2,-0.3 0.064 123.4 84.6-101.9 22.5 11.4 -13.7 -5.9 20 26 A L E < -CD 17 59A 59 -3,-1.9 -3,-1.9 39,-0.2 2,-0.3 -0.833 57.7-151.5-127.5 160.1 10.0 -10.6 -7.6 21 27 A K E -CD 16 58A 75 37,-3.2 37,-3.2 -2,-0.3 2,-0.5 -0.944 7.4-155.2-124.5 150.9 7.8 -9.6 -10.5 22 28 A E E -CD 15 57A 13 -7,-2.9 -7,-2.1 -2,-0.3 2,-0.5 -0.982 11.0-168.5-128.7 113.8 8.0 -6.3 -12.4 23 29 A K E -CD 14 56A 59 33,-2.4 33,-2.5 -2,-0.5 2,-0.2 -0.916 11.4-144.3-108.0 132.0 4.8 -5.2 -14.2 24 30 A H E - D 0 55A 20 -11,-2.4 2,-0.3 -2,-0.5 31,-0.2 -0.629 11.4-166.8 -97.1 150.6 4.9 -2.3 -16.6 25 31 A K E S+ D 0 54A 94 29,-2.9 29,-2.4 -2,-0.2 3,-0.2 -0.933 71.6 17.7-129.8 154.7 2.3 0.3 -17.3 26 32 A A E S- 0 0 65 -2,-0.3 2,-0.8 1,-0.2 -1,-0.2 0.894 77.5-179.1 50.1 45.7 2.1 2.8 -20.2 27 33 A A E +A 11 0A 4 -16,-0.5 -16,-1.6 -3,-0.2 2,-0.3 -0.678 9.1 165.5 -79.5 109.4 4.5 0.7 -22.2 28 34 A K E -AD 10 52A 114 24,-2.5 24,-2.4 -2,-0.8 2,-0.3 -0.929 15.2-177.5-128.8 152.2 5.0 2.6 -25.5 29 35 A H E -AD 9 51A 24 -20,-1.1 -20,-2.3 -2,-0.3 2,-0.4 -0.994 9.0-166.2-148.2 142.5 7.6 2.3 -28.3 30 36 A I E +AD 8 50A 89 20,-2.4 20,-2.8 -2,-0.3 2,-0.3 -0.995 22.4 162.2-127.8 138.0 8.3 4.1 -31.6 31 37 A G E -AD 7 49A 2 -24,-2.4 -24,-2.7 -2,-0.4 2,-0.3 -0.971 25.6-144.3-151.4 166.3 10.6 2.7 -34.2 32 38 A V E -AD 6 48A 48 16,-3.0 16,-1.9 -2,-0.3 2,-0.4 -0.965 9.2-166.4-132.4 151.5 11.7 2.9 -37.8 33 39 A R E -AD 5 47A 31 -28,-2.5 -28,-2.8 -2,-0.3 2,-0.5 -0.996 1.8-166.7-138.9 133.9 12.9 0.3 -40.3 34 40 A A E -AD 4 46A 17 12,-2.7 12,-2.1 -2,-0.4 2,-0.6 -0.983 0.8-170.3-120.1 120.7 14.6 0.7 -43.6 35 41 A D E -AD 3 45A 8 -32,-3.0 -32,-2.4 -2,-0.5 10,-0.2 -0.955 12.9-173.6-107.0 114.5 15.0 -2.2 -46.1 36 42 A I E - D 0 44A 50 8,-3.2 8,-2.2 -2,-0.6 55,-0.1 -0.913 12.5-146.6-119.3 109.9 17.3 -1.2 -48.9 37 43 A P E + D 0 43A 50 0, 0.0 6,-0.3 0, 0.0 3,-0.1 -0.423 18.0 178.5 -69.6 141.5 17.8 -3.5 -51.9 38 44 A F S S- 0 0 143 4,-2.9 2,-0.2 1,-0.2 5,-0.2 0.617 73.8 -4.7-112.4 -31.1 21.2 -3.6 -53.6 39 45 A D S S- 0 0 72 3,-1.7 -1,-0.2 0, 0.0 0, 0.0 -0.712 99.3 -66.2-138.6-161.7 20.3 -6.2 -56.2 40 46 A A S S+ 0 0 95 -2,-0.2 3,-0.0 1,-0.1 53,-0.0 0.831 130.3 7.0 -59.1 -30.0 17.4 -8.5 -57.1 41 47 A N S S+ 0 0 54 51,-0.1 52,-2.7 53,-0.0 2,-0.2 0.708 111.5 78.7-125.1 -33.3 17.9 -10.4 -53.9 42 48 A Q E + E 0 92A 81 50,-0.2 -4,-2.9 48,-0.0 -3,-1.7 -0.551 51.4 143.8 -88.6 149.3 20.4 -8.9 -51.6 43 49 A G E -DE 37 91A 3 48,-2.4 48,-2.3 -6,-0.3 2,-0.4 -0.925 40.4-107.0-161.1-174.6 19.9 -5.8 -49.3 44 50 A I E -DE 36 90A 47 -8,-2.2 -8,-3.2 -2,-0.3 2,-0.4 -0.973 20.5-156.0-126.6 143.4 20.5 -4.1 -46.0 45 51 A R E -DE 35 89A 7 44,-2.4 44,-2.5 -2,-0.4 2,-0.4 -0.968 9.7-175.8-118.5 138.9 18.2 -3.6 -43.1 46 52 A L E -DE 34 88A 68 -12,-2.1 -12,-2.7 -2,-0.4 2,-0.4 -0.999 4.8-179.1-132.4 133.2 18.5 -0.8 -40.6 47 53 A E E +DE 33 87A 21 40,-3.0 40,-2.4 -2,-0.4 2,-0.3 -0.991 9.0 173.7-134.8 145.2 16.3 -0.4 -37.4 48 54 A A E +DE 32 86A 23 -16,-1.9 -16,-3.0 -2,-0.4 2,-0.3 -0.984 11.2 167.7-145.7 142.2 16.1 2.2 -34.6 49 55 A G E -DE 31 85A 0 36,-2.2 36,-2.2 -2,-0.3 2,-0.4 -0.992 20.2-154.2-156.5 155.5 13.6 2.4 -31.8 50 56 A F E -DE 30 84A 131 -20,-2.8 -20,-2.4 -2,-0.3 2,-0.3 -0.999 16.5-176.5-139.2 131.8 12.8 4.1 -28.5 51 57 A G E -DE 29 83A 5 32,-2.8 32,-2.6 -2,-0.4 2,-0.3 -0.876 6.4-177.6-131.5 159.1 10.7 2.8 -25.7 52 58 A R E +DE 28 82A 160 -24,-2.4 -24,-2.5 -2,-0.3 2,-0.3 -0.988 9.9 153.8-152.1 150.3 9.4 3.9 -22.3 53 59 A S E - 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0 0 59 -6,-1.3 2,-0.4 2,-0.0 -2,-0.2 -0.832 68.3-146.7-118.1 175.1 2.9 -12.8 6.8 71 77 A K - 0 0 186 -2,-0.3 2,-0.2 0, 0.0 -6,-0.0 -0.994 15.9-123.7-139.9 128.2 3.0 -9.4 5.1 72 78 A N - 0 0 67 -2,-0.4 2,-0.1 1,-0.1 3,-0.1 -0.476 28.0-120.3 -74.8 135.2 5.1 -8.1 2.2 73 79 A V - 0 0 123 -2,-0.2 -1,-0.1 1,-0.1 2,-0.0 -0.486 43.2 -89.8 -70.3 144.5 7.3 -5.0 2.8 74 80 A K - 0 0 99 -2,-0.1 -1,-0.1 -16,-0.0 -16,-0.1 -0.292 46.0-164.1 -60.1 134.0 6.5 -2.1 0.5 75 81 A L - 0 0 49 -18,-0.2 -16,-0.0 1,-0.1 -1,-0.0 -0.855 32.9 -73.6-119.7 156.9 8.4 -2.1 -2.8 76 82 A P - 0 0 50 0, 0.0 -19,-2.2 0, 0.0 2,-0.3 -0.073 45.3-163.1 -49.7 142.4 8.8 0.8 -5.4 77 83 A T + 0 0 107 -21,-0.2 -21,-0.2 1,-0.2 -22,-0.1 -0.916 64.9 20.4-126.6 151.2 5.9 1.8 -7.6 78 84 A G S S+ 0 0 24 -2,-0.3 -22,-0.2 1,-0.2 -1,-0.2 0.870 73.5 176.9 59.3 39.5 5.9 3.9 -10.8 79 85 A V E -E 55 0A 5 -24,-3.1 -24,-3.0 -3,-0.2 -1,-0.2 -0.669 25.3-131.6 -76.1 115.9 9.5 3.3 -11.6 80 86 A P E -E 54 0A 48 0, 0.0 36,-1.2 0, 0.0 2,-0.3 -0.397 25.5-173.9 -69.4 144.1 10.4 4.9 -14.9 81 87 A E E -EF 53 115A 13 -28,-2.6 -28,-2.0 34,-0.2 2,-0.3 -0.998 7.5-166.7-138.7 140.8 12.2 2.9 -17.6 82 88 A N E -EF 52 114A 89 32,-2.3 32,-2.0 -2,-0.3 2,-0.3 -0.954 8.0-173.3-124.3 145.4 13.7 3.9 -21.0 83 89 A R E -EF 51 113A 46 -32,-2.6 -32,-2.8 -2,-0.3 2,-0.3 -0.979 7.1-171.1-138.1 147.1 14.9 1.6 -23.7 84 90 A I E -EF 50 112A 51 28,-2.0 28,-2.2 -2,-0.3 2,-0.3 -0.969 3.9-169.7-133.6 155.4 16.6 2.0 -27.1 85 91 A D E -EF 49 111A 39 -36,-2.2 -36,-2.2 -2,-0.3 2,-0.3 -0.997 4.1-179.6-143.4 143.1 17.3 -0.5 -29.8 86 92 A L E +EF 48 110A 93 24,-2.5 24,-2.3 -2,-0.3 2,-0.3 -0.992 3.6 179.2-139.8 147.8 19.5 -0.3 -33.0 87 93 A Y E +EF 47 109A 6 -40,-2.4 -40,-3.0 -2,-0.3 2,-0.4 -0.979 11.1 178.1-152.4 134.4 20.1 -2.8 -35.7 88 94 A T E +EF 46 108A 82 20,-2.2 20,-1.9 -2,-0.3 2,-0.3 -0.995 26.6 149.0-131.4 133.9 22.1 -3.0 -39.0 89 95 A G E -EF 45 107A 9 -44,-2.5 -44,-2.4 -2,-0.4 2,-0.3 -0.978 44.6-100.1-158.3 167.3 22.2 -6.2 -41.1 90 96 A Y E -EF 44 106A 106 16,-2.5 16,-1.9 -2,-0.3 2,-0.3 -0.704 37.0-166.5 -87.7 143.7 22.4 -8.1 -44.4 91 97 A T E -EF 43 105A 5 -48,-2.3 -48,-2.4 -2,-0.3 2,-0.4 -0.983 14.6-166.5-132.8 148.8 19.2 -9.4 -46.0 92 98 A Y E -EF 42 104A 87 12,-2.8 12,-2.2 -2,-0.3 2,-0.4 -0.996 14.1-175.9-131.4 125.5 18.4 -11.9 -48.8 93 99 A T E + F 0 103A 34 -52,-2.7 2,-0.3 -2,-0.4 10,-0.2 -0.955 5.5 169.9-125.0 141.8 14.9 -11.9 -50.3 94 100 A Q E - 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