==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 02-APR-09 3GXA . COMPND 2 MOLECULE: OUTER MEMBRANE LIPOPROTEIN GNA1946; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR X.YANG,Y.SHEN . 1450 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57060.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1005 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 128 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 154 10.6 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 . 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-3), SAME NUMBER PER 100 RESIDUES . 6 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 . 65 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 202 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 349 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 3.0 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 4 0 12 3 9 6 7 5 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 6 6 0 6 0 6 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 . 7 12 4 14 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 0 8 0 0 0 0 2 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 1 43 A K 0 0 97 0, 0.0 29,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 142.7 1.8 13.8 -36.6 2 44 A E E -a 30 0A 109 27,-0.2 2,-0.6 29,-0.1 29,-0.2 -0.876 360.0-155.9-103.2 127.2 0.8 17.4 -35.8 3 45 A I E -a 31 0A 3 27,-2.4 29,-2.3 -2,-0.5 2,-0.7 -0.902 7.9-151.3-103.9 122.5 -2.7 18.2 -34.6 4 46 A V E -a 32 0A 14 -2,-0.6 48,-2.5 27,-0.2 49,-1.7 -0.843 11.4-163.0-100.1 114.4 -3.8 21.7 -35.2 5 47 A F E -ab 33 53A 0 27,-3.4 29,-2.8 -2,-0.7 2,-0.5 -0.748 5.8-164.2 -96.1 140.9 -6.4 23.1 -32.7 6 48 A G E +ab 34 54A 0 47,-2.0 49,-2.4 -2,-0.3 2,-0.3 -0.991 22.8 155.3-123.6 123.1 -8.6 26.1 -33.2 7 49 A T E -ab 35 55A 0 27,-2.4 29,-3.1 -2,-0.5 49,-0.2 -0.930 46.1 -97.3-141.2 167.4 -10.4 27.7 -30.2 8 50 A T E > -a 36 0A 1 47,-0.8 5,-0.6 -2,-0.3 29,-0.2 -0.503 60.1 -88.8 -77.3 156.9 -11.8 30.9 -29.0 9 51 A V T 5S+ 0 0 11 27,-2.0 2,-0.4 -2,-0.1 3,-0.3 -0.286 95.2 24.5 -62.7 154.6 -9.4 32.8 -26.8 10 52 A G T >>5S+ 0 0 3 1,-0.2 4,-2.3 2,-0.1 3,-0.7 -0.739 116.4 12.2 100.6-141.8 -9.7 32.0 -23.1 11 53 A D H 3>5S+ 0 0 2 -2,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.834 124.0 50.0 -48.5 -50.5 -10.9 28.8 -21.4 12 54 A F H 3>5S+ 0 0 2 -3,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.868 114.7 47.0 -62.6 -32.1 -11.1 26.4 -24.4 13 55 A G H <>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 4,-1.7 0.910 108.5 45.1 -52.5 -44.6 -7.7 23.4 -21.7 16 58 A V H <>S+ 0 0 0 -4,-1.1 5,-3.7 3,-0.2 -2,-0.2 0.958 118.0 40.6 -64.8 -53.2 -5.4 22.6 -24.7 17 59 A K H <5S+ 0 0 38 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.829 121.5 40.2 -67.3 -35.3 -2.3 24.3 -23.4 18 60 A E H <5S- 0 0 12 -4,-3.2 1150,-0.5 -5,-0.2 -1,-0.2 0.765 138.4 -6.3 -85.3 -28.5 -2.6 23.2 -19.7 19 61 A Q T X5S+ 0 0 4 -4,-1.7 4,-2.1 -5,-0.5 -3,-0.2 0.644 123.1 52.3-132.9 -64.1 -3.8 19.7 -20.2 20 62 A I H > S+ 0 0 3 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.898 113.6 52.5 -58.0 -38.7 0.9 17.7 -22.7 23 65 A E H >< S+ 0 0 35 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.936 112.0 44.0 -62.4 -45.0 -1.3 14.5 -22.7 24 66 A L H ><>S+ 0 0 1 -4,-2.6 3,-1.6 1,-0.2 5,-1.6 0.810 105.4 63.8 -70.8 -29.1 -1.1 14.1 -26.5 25 67 A E H ><5S+ 0 0 73 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.781 94.2 59.8 -66.6 -27.6 2.6 14.9 -26.6 26 68 A K T <<5S+ 0 0 79 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.414 101.0 56.1 -83.6 8.8 3.4 11.8 -24.6 27 69 A K T < 5S- 0 0 105 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.266 129.5 -95.7-112.6 4.2 1.7 9.7 -27.3 28 70 A G T < 5S+ 0 0 60 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.210 82.4 130.1 103.3 -14.7 4.1 11.2 -29.9 29 71 A Y < - 0 0 28 -5,-1.6 2,-0.4 -8,-0.1 -1,-0.3 -0.336 46.3-147.7 -75.0 152.9 1.9 14.1 -31.2 30 72 A T E -a 2 0A 76 -29,-1.9 -27,-2.4 -2,-0.1 2,-0.4 -0.953 20.8-152.0-115.0 138.6 3.0 17.7 -31.6 31 73 A V E -a 3 0A 17 -2,-0.4 2,-0.4 -29,-0.2 -27,-0.2 -0.903 12.9-166.8-118.7 145.3 0.2 20.2 -31.1 32 74 A K E -a 4 0A 111 -29,-2.3 -27,-3.4 -2,-0.4 2,-0.5 -0.995 9.8-156.1-128.4 133.9 -0.4 23.6 -32.5 33 75 A L E -a 5 0A 37 -2,-0.4 2,-0.5 -29,-0.2 -27,-0.2 -0.942 8.4-173.6-116.0 130.5 -3.1 26.0 -31.1 34 76 A V E -a 6 0A 31 -29,-2.8 -27,-2.4 -2,-0.5 2,-0.4 -0.989 14.4-154.4-121.1 122.5 -4.7 28.9 -33.0 35 77 A E E -a 7 0A 39 -2,-0.5 2,-0.4 -29,-0.2 -27,-0.2 -0.808 4.6-159.6-103.3 143.4 -7.0 31.1 -31.0 36 78 A F E -a 8 0A 14 -29,-3.1 -27,-2.0 -2,-0.4 -2,-0.0 -0.934 17.8-158.5-120.7 140.6 -9.8 33.2 -32.4 37 79 A T S S+ 0 0 46 -2,-0.4 2,-0.2 -29,-0.2 -1,-0.1 0.702 80.2 56.5 -85.5 -19.4 -11.6 36.3 -30.9 38 80 A D S S- 0 0 33 1,-0.1 -2,-0.1 117,-0.0 -29,-0.0 -0.578 73.8-133.4-111.1 172.8 -14.6 35.7 -33.0 39 81 A Y S S+ 0 0 10 -2,-0.2 4,-0.4 2,-0.1 -1,-0.1 0.622 94.9 65.1 -96.0 -17.8 -17.2 32.9 -33.7 40 82 A V S > S+ 0 0 74 1,-0.1 4,-0.7 2,-0.1 3,-0.2 0.889 94.3 50.7 -77.6 -42.0 -17.1 33.2 -37.5 41 83 A R H > S+ 0 0 126 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.849 91.4 71.5 -70.7 -36.9 -13.6 32.1 -38.6 42 84 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.887 100.5 44.7 -47.9 -50.5 -13.1 28.8 -36.7 43 85 A N H > S+ 0 0 0 -4,-0.4 4,-2.4 -3,-0.2 5,-0.2 0.849 113.4 52.0 -66.2 -31.3 -15.5 26.7 -38.9 44 86 A L H X S+ 0 0 76 -4,-0.7 4,-2.3 -3,-0.4 -1,-0.2 0.925 111.0 47.3 -68.5 -41.4 -14.1 28.3 -42.0 45 87 A A H X>S+ 0 0 8 -4,-2.6 4,-1.6 2,-0.2 6,-1.3 0.897 111.9 50.7 -64.9 -41.8 -10.5 27.4 -40.9 46 88 A L H <5S+ 0 0 0 -4,-2.5 3,-0.4 -5,-0.3 -2,-0.2 0.951 112.7 45.6 -61.7 -50.3 -11.6 23.9 -40.1 47 89 A A H <5S+ 0 0 34 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.864 111.9 52.2 -62.9 -36.2 -13.2 23.4 -43.5 48 90 A E H <5S- 0 0 142 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.773 116.7-110.0 -72.2 -27.1 -10.3 24.9 -45.3 49 91 A G T <5S+ 0 0 37 -4,-1.6 -3,-0.2 -3,-0.4 -4,-0.1 0.231 88.8 112.9 116.9 -12.8 -7.8 22.6 -43.7 50 92 A E S - 0 0 0 138,-0.3 4,-2.3 -2,-0.3 3,-0.5 -0.586 40.8-100.8-100.8 168.0 -22.6 24.5 -29.4 59 101 A K H > S+ 0 0 77 136,-0.5 4,-3.4 134,-0.3 5,-0.3 0.918 118.2 55.2 -57.7 -49.5 -24.5 22.2 -31.8 60 102 A P H > S+ 0 0 15 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.853 112.2 45.6 -54.9 -32.2 -27.2 24.7 -32.8 61 103 A Y H > S+ 0 0 18 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.927 112.7 49.5 -75.5 -43.7 -24.5 27.1 -33.9 62 104 A L H X S+ 0 0 1 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.954 112.5 48.5 -56.3 -51.8 -22.6 24.4 -35.7 63 105 A D H X S+ 0 0 49 -4,-3.4 4,-1.5 1,-0.2 -1,-0.2 0.879 112.4 47.9 -58.8 -41.4 -25.7 23.3 -37.5 64 106 A D H X S+ 0 0 66 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.942 115.4 44.6 -64.9 -47.2 -26.6 26.8 -38.5 65 107 A F H X S+ 0 0 9 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.917 110.1 53.3 -64.4 -46.7 -23.1 27.6 -39.8 66 108 A K H X>S+ 0 0 59 -4,-3.2 5,-1.4 -5,-0.2 4,-0.6 0.867 114.3 43.6 -56.3 -41.0 -22.6 24.3 -41.7 67 109 A K H ><5S+ 0 0 170 -4,-1.5 3,-0.7 -5,-0.3 -2,-0.2 0.952 113.4 48.2 -71.2 -51.8 -25.9 24.9 -43.6 68 110 A E H 3<5S+ 0 0 140 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.878 126.9 28.8 -56.6 -40.6 -25.4 28.6 -44.3 69 111 A H H 3<5S- 0 0 71 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.338 101.4-128.8-106.5 8.7 -21.9 28.0 -45.6 70 112 A N T <<5 + 0 0 148 -3,-0.7 2,-0.4 -4,-0.6 -3,-0.2 0.939 46.4 162.4 41.9 70.6 -22.2 24.4 -46.9 71 113 A L < - 0 0 32 -5,-1.4 2,-1.6 2,-0.1 -1,-0.2 -0.940 44.2-131.1-119.6 140.6 -19.2 22.9 -45.1 72 114 A D + 0 0 139 -2,-0.4 130,-2.7 -25,-0.1 131,-0.4 -0.506 62.2 127.0 -89.5 69.5 -18.6 19.2 -44.5 73 115 A I E -D 201 0A 3 -2,-1.6 2,-0.3 128,-0.3 128,-0.2 -0.850 35.0-170.3-121.9 158.5 -17.8 19.4 -40.8 74 116 A T E -D 200 0A 30 126,-2.7 126,-2.1 -2,-0.3 2,-0.1 -0.992 26.1-103.8-150.8 155.4 -19.3 17.6 -37.8 75 117 A E E +D 199 0A 39 -2,-0.3 124,-0.2 124,-0.2 3,-0.1 -0.429 31.3 174.7 -76.9 153.7 -19.4 17.5 -34.0 76 118 A V E - 0 0 28 122,-2.2 2,-0.3 1,-0.4 -1,-0.1 0.644 56.8 -9.9-122.7 -64.6 -17.4 14.8 -32.2 77 119 A F E - 0 0 14 121,-0.3 121,-2.7 159,-0.0 -1,-0.4 -0.936 63.2-112.9-140.7 161.8 -17.5 15.2 -28.4 78 120 A Q E -D 197 0A 23 -2,-0.3 119,-0.2 119,-0.2 118,-0.1 -0.541 24.8-159.9 -93.4 162.6 -18.6 17.7 -25.8 79 121 A V - 0 0 0 117,-2.0 117,-0.2 -2,-0.2 2,-0.2 -0.909 37.8 -79.3-136.9 161.0 -16.3 19.7 -23.4 80 122 A P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 155,-0.2 -0.458 58.6-165.5 -62.0 127.7 -16.9 21.6 -20.1 81 123 A T B -E 234 0B 3 153,-2.3 153,-2.9 -2,-0.2 113,-0.1 -0.957 25.4-115.0-129.3 142.1 -18.5 24.9 -21.1 82 124 A A - 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