==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 24-APR-03 1P4T . COMPND 2 MOLECULE: OUTER MEMBRANE PROTEIN NSPA; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR L.VANDEPUTTE-RUTTEN,M.P.BOS,J.TOMMASSEN,P.GROS . 155 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8822.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 80.0 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 . 111 71.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 3.2 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 . 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 . 12 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 2.6 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+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 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 . 0 1 0 1 1 1 0 1 0 0 2 3 1 0 0 0 0 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 1 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 1 A E 0 0 149 0, 0.0 36,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -25.6 33.2 1.3 12.2 2 2 A G - 0 0 58 2,-0.0 36,-0.2 34,-0.0 2,-0.1 -0.384 360.0-150.3-177.3 90.2 36.3 3.3 11.1 3 3 A A + 0 0 53 34,-0.1 2,-0.2 32,-0.0 34,-0.2 -0.331 24.3 158.7 -76.3 153.6 38.2 5.5 13.6 4 4 A S E +A 36 0A 67 32,-2.1 32,-2.5 1,-0.1 -2,-0.0 -0.885 41.4 46.6-157.7 174.3 40.1 8.7 12.7 5 5 A G E - 0 0 32 -2,-0.2 -1,-0.1 30,-0.2 32,-0.1 0.727 65.0-167.6 45.6 35.3 41.6 12.0 13.9 6 6 A F E + 0 0 104 149,-0.2 149,-0.6 29,-0.2 2,-0.3 -0.104 17.0 170.2 -35.8 143.3 43.2 10.6 17.0 7 7 A Y E -AB 34 154A 5 27,-2.3 27,-2.4 147,-0.2 2,-0.3 -0.984 34.1-135.8-161.1 165.2 44.3 13.3 19.4 8 8 A V E -AB 33 153A 64 145,-1.7 145,-2.5 -2,-0.3 2,-0.3 -0.970 21.0-170.6-127.7 150.6 45.7 14.5 22.7 9 9 A Q E -AB 32 152A 11 23,-2.4 23,-2.7 -2,-0.3 2,-0.4 -0.997 10.9-164.6-143.8 141.6 44.5 17.5 24.8 10 10 A A E -AB 31 151A 56 141,-2.0 141,-1.9 -2,-0.3 2,-0.3 -0.996 15.9-177.2-125.9 131.9 45.7 19.4 27.8 11 11 A D E -AB 30 150A 10 19,-2.1 19,-2.2 -2,-0.4 2,-0.4 -0.950 19.3-149.9-128.8 149.1 43.4 21.8 29.8 12 12 A A E - B 0 149A 66 137,-2.2 137,-1.8 -2,-0.3 2,-0.4 -0.931 26.7-168.6-109.6 142.4 43.8 24.1 32.7 13 13 A A E - B 0 148A 10 -2,-0.4 15,-2.3 135,-0.2 2,-0.5 -0.994 29.0-145.9-144.4 135.1 40.7 24.6 34.8 14 14 A H E -CB 27 147A 95 133,-2.3 133,-3.0 -2,-0.4 2,-0.3 -0.877 40.1-173.1 -86.7 129.4 39.3 26.8 37.6 15 15 A A E -CB 26 146A 2 11,-3.0 11,-2.4 -2,-0.5 2,-0.4 -0.860 27.3-155.8-131.1 155.2 37.0 24.5 39.6 16 16 A K E -CB 25 145A 99 129,-2.4 129,-2.1 -2,-0.3 2,-0.5 -0.994 14.2-164.0-129.0 122.5 34.5 24.6 42.4 17 17 A A E -CB 24 144A 8 7,-2.3 7,-2.2 -2,-0.4 2,-0.3 -0.918 14.0-179.2-105.3 136.4 33.9 21.4 44.5 18 18 A S E +CB 23 143A 15 125,-2.9 125,-2.1 -2,-0.5 2,-0.3 -0.900 13.6 154.2-132.4 165.5 30.9 21.1 46.7 19 19 A S - 0 0 24 3,-1.3 3,-0.3 -2,-0.3 122,-0.2 -0.886 63.3 -74.2-162.3-174.1 29.1 18.8 49.1 20 20 A S S S+ 0 0 75 120,-1.7 121,-0.1 -2,-0.3 3,-0.1 0.644 128.4 56.5 -67.3 -16.1 26.8 18.9 52.1 21 21 A L S S- 0 0 138 1,-0.3 2,-0.3 119,-0.3 -1,-0.2 0.726 120.5 -80.6 -89.0 -29.2 29.7 20.2 54.2 22 22 A G - 0 0 41 -3,-0.3 -3,-1.3 2,-0.0 -1,-0.3 -0.964 45.1 -80.2 155.8-169.0 30.6 23.2 52.0 23 23 A S E -C 18 0A 75 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.904 29.2-170.4-131.2 161.5 32.3 24.3 48.9 24 24 A A E -C 17 0A 24 -7,-2.2 -7,-2.3 -2,-0.3 2,-0.4 -0.957 14.7-133.1-147.2 158.9 35.9 25.1 47.9 25 25 A K E +C 16 0A 127 -2,-0.3 27,-1.8 -9,-0.2 28,-0.5 -0.898 39.3 119.4-120.4 142.9 37.7 26.6 45.0 26 26 A G E -CD 15 51A 0 -11,-2.4 -11,-3.0 -2,-0.4 2,-0.3 -0.913 50.4 -66.9-170.3-155.0 40.7 25.4 43.2 27 27 A F E -CD 14 50A 73 23,-2.3 23,-2.3 -2,-0.3 -13,-0.2 -0.888 24.3-168.6-128.5 151.4 42.4 24.2 40.0 28 28 A S - 0 0 3 -15,-2.3 21,-0.2 -2,-0.3 -14,-0.1 -0.605 5.7-166.7-145.6 67.5 42.0 21.1 37.9 29 29 A P - 0 0 55 0, 0.0 19,-1.8 0, 0.0 2,-0.3 -0.356 16.0-165.2 -59.6 147.0 44.5 20.4 35.3 30 30 A R E -AE 11 47A 27 -19,-2.2 -19,-2.1 17,-0.2 2,-0.4 -0.966 16.4-167.3-139.6 140.4 43.4 17.7 32.8 31 31 A I E +AE 10 46A 102 15,-1.9 15,-2.6 -2,-0.3 2,-0.3 -0.999 18.3 172.2-128.6 136.2 45.0 15.5 30.2 32 32 A S E -AE 9 45A 14 -23,-2.7 -23,-2.4 -2,-0.4 2,-0.3 -0.956 21.5-158.8-140.5 162.1 43.1 13.4 27.6 33 33 A A E +AE 8 44A 53 11,-2.1 11,-2.5 -2,-0.3 2,-0.3 -0.987 30.4 139.8-134.6 145.8 43.4 11.3 24.5 34 34 A G E -AE 7 43A 7 -27,-2.4 -27,-2.3 -2,-0.3 2,-0.3 -0.893 28.4-143.2-162.2-174.6 40.7 10.6 22.0 35 35 A Y E - E 0 42A 84 7,-1.9 7,-2.6 -2,-0.3 2,-0.4 -0.958 21.6-108.4-156.6 176.7 39.4 10.1 18.5 36 36 A R E +AE 4 41A 64 -32,-2.5 -32,-2.1 -2,-0.3 2,-0.3 -0.934 27.7 167.9-111.9 134.5 36.4 10.6 16.1 37 37 A I E > S- E 0 40A 46 3,-2.4 3,-3.0 -2,-0.4 -34,-0.1 -0.941 73.8 -16.0-130.9 155.1 34.0 8.1 14.6 38 38 A N T 3 S- 0 0 148 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.295 126.9 -46.4 46.6-136.0 30.9 9.2 12.8 39 39 A D T 3 S+ 0 0 94 -3,-0.1 32,-0.8 2,-0.0 2,-0.4 -0.026 117.9 107.6-108.5 30.2 30.6 12.9 14.0 40 40 A L E < -EF 37 70A 61 -3,-3.0 -3,-2.4 30,-0.1 2,-0.4 -0.894 58.2-147.9-111.7 138.3 31.3 11.9 17.5 41 41 A R E -EF 36 69A 8 28,-2.1 28,-2.5 -2,-0.4 2,-0.4 -0.901 12.4-167.2 -96.5 133.6 34.4 12.4 19.6 42 42 A F E +EF 35 68A 62 -7,-2.6 -7,-1.9 -2,-0.4 2,-0.3 -0.928 13.8 171.7-118.5 140.2 35.4 9.9 22.3 43 43 A A E -EF 34 67A 11 24,-1.9 24,-2.8 -2,-0.4 2,-0.4 -0.998 29.3-147.7-151.7 145.1 38.0 10.6 24.9 44 44 A V E -EF 33 66A 84 -11,-2.5 -11,-2.1 -2,-0.3 2,-0.3 -0.928 28.5-174.7-102.8 133.9 39.6 9.3 28.1 45 45 A D E -EF 32 65A 5 20,-1.9 20,-2.4 -2,-0.4 2,-0.5 -0.955 22.8-150.9-128.4 151.8 40.8 12.0 30.6 46 46 A Y E -EF 31 64A 103 -15,-2.6 -15,-1.9 -2,-0.3 2,-0.3 -0.993 23.6-178.8-115.1 125.4 42.8 12.1 33.8 47 47 A T E -EF 30 63A 4 16,-2.6 16,-2.2 -2,-0.5 2,-0.4 -0.926 11.0-168.8-122.8 141.9 41.9 15.1 36.1 48 48 A R E - F 0 62A 70 -19,-1.8 2,-0.4 -2,-0.3 14,-0.2 -0.947 9.3-155.5-136.6 120.7 43.3 16.1 39.5 49 49 A Y E + F 0 61A 8 12,-2.9 12,-1.6 -2,-0.4 2,-0.3 -0.751 13.1 178.0 -96.8 137.0 41.7 18.8 41.7 50 50 A K E -DF 27 60A 72 -23,-2.3 -23,-2.3 -2,-0.4 -35,-0.2 -0.995 29.3-115.6-132.0 143.6 43.6 20.9 44.3 51 51 A N E -D 26 0A 15 8,-0.6 -25,-0.3 -2,-0.3 3,-0.1 -0.445 12.9-140.8 -66.2 141.8 42.5 23.7 46.6 52 52 A Y S S+ 0 0 126 -27,-1.8 2,-0.4 1,-0.3 -1,-0.1 0.920 96.7 24.3 -65.2 -43.9 44.1 27.1 46.1 53 53 A K S S- 0 0 80 -28,-0.5 -1,-0.3 -3,-0.0 -28,-0.2 -0.976 93.9-117.3-129.9 133.3 44.1 27.5 49.8 54 54 A A - 0 0 68 -2,-0.4 4,-0.1 -3,-0.1 -4,-0.0 -0.590 22.9-148.2 -81.9 123.5 44.1 24.5 52.2 55 55 A P - 0 0 59 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.159 43.1 -85.9 -71.7 176.4 41.2 24.1 54.6 56 56 A S S S+ 0 0 137 1,-0.3 2,-0.6 2,-0.0 -2,-0.1 0.852 132.7 37.9 -57.2 -35.9 41.6 22.5 58.1 57 57 A T S S- 0 0 99 36,-0.0 -1,-0.3 2,-0.0 2,-0.1 -0.894 89.9-161.3-109.5 94.8 41.2 19.2 56.3 58 58 A D + 0 0 73 -2,-0.6 36,-0.3 -3,-0.3 2,-0.3 -0.347 16.6 171.5 -66.1 153.7 43.0 19.6 53.0 59 59 A F - 0 0 53 34,-0.1 -8,-0.6 -2,-0.1 2,-0.3 -0.989 25.7-141.1-155.5 160.4 42.1 17.1 50.3 60 60 A K E -FG 50 92A 44 32,-1.3 32,-2.3 -2,-0.3 2,-0.4 -0.909 13.2-147.8-118.2 156.6 42.7 16.3 46.6 61 61 A L E -FG 49 91A 25 -12,-1.6 -12,-2.9 -2,-0.3 2,-0.4 -0.960 15.1-171.8-120.6 137.7 40.1 14.9 44.1 62 62 A Y E +FG 48 90A 31 28,-2.8 28,-2.5 -2,-0.4 2,-0.3 -0.997 4.8 177.3-130.8 139.3 41.0 12.6 41.2 63 63 A S E -FG 47 89A 12 -16,-2.2 -16,-2.6 -2,-0.4 2,-0.4 -0.998 21.7-161.7-139.4 149.6 39.1 11.3 38.3 64 64 A I E -FG 46 88A 95 24,-2.0 24,-2.4 -2,-0.3 2,-0.3 -0.999 33.7-173.8-115.5 125.9 39.6 9.1 35.2 65 65 A G E -FG 45 87A 3 -20,-2.4 -20,-1.9 -2,-0.4 2,-0.4 -0.826 28.4-148.0-127.4 159.0 36.7 9.8 32.8 66 66 A A E -FG 44 86A 53 20,-2.7 20,-2.5 -2,-0.3 2,-0.3 -0.997 25.8-168.7-126.1 123.2 35.2 8.6 29.5 67 67 A S E -FG 43 85A 13 -24,-2.8 -24,-1.9 -2,-0.4 2,-0.4 -0.878 18.1-164.4-119.6 140.7 33.5 11.3 27.4 68 68 A A E -FG 42 84A 44 16,-2.1 16,-2.1 -2,-0.3 2,-0.4 -0.999 24.1-177.2-121.6 127.4 31.2 11.2 24.3 69 69 A I E -FG 41 83A 11 -28,-2.5 -28,-2.1 -2,-0.4 2,-0.5 -0.957 23.5-148.9-133.3 135.2 30.9 14.6 22.6 70 70 A Y E -FG 40 82A 98 12,-3.0 12,-1.9 -2,-0.4 2,-0.5 -0.948 14.6-155.3-102.9 124.7 29.0 16.1 19.6 71 71 A D E - 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