==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGAND BINDING PROTEIN 19-NOV-04 1Y21 . COMPND 2 MOLECULE: SALIVARY NITROPHORIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CIMEX LECTULARIUS; . AUTHOR A.WEICHSEL,E.M.MAES,J.F.ANDERSEN,J.G.VALENZUELA,T.K.SHOKHIRE . 280 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 23.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 2 0.7 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 . 17 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 2 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 4 0 0 0 1 1 3 1 1 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 . 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 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 3 A P 0 0 148 0, 0.0 91,-0.0 0, 0.0 279,-0.0 0.000 360.0 360.0 360.0 85.1 -21.7 18.0 12.3 2 4 A P - 0 0 48 0, 0.0 278,-0.2 0, 0.0 3,-0.1 -0.134 360.0-135.7 -55.6 149.8 -20.1 14.6 13.2 3 5 A A S S+ 0 0 75 1,-0.1 277,-2.2 276,-0.1 2,-0.3 0.870 86.6 23.6 -75.2 -34.7 -20.0 13.5 16.8 4 6 A Q E -A 279 0A 99 275,-0.2 2,-0.3 276,-0.1 275,-0.2 -0.885 62.0-167.1-129.9 156.9 -16.3 12.3 16.6 5 7 A L E -A 278 0A 4 273,-2.0 273,-3.2 -2,-0.3 2,-0.3 -0.964 17.0-132.0-138.9 154.5 -13.3 13.0 14.4 6 8 A S E -A 277 0A 29 -2,-0.3 31,-1.7 271,-0.2 30,-0.5 -0.834 17.1-168.2-111.0 150.9 -9.9 11.1 14.0 7 9 A V E -Ab 276 37A 0 269,-2.3 269,-2.7 -2,-0.3 2,-0.4 -0.994 5.3-163.8-138.6 134.0 -6.5 12.6 14.1 8 10 A H E -Ab 275 38A 7 29,-2.3 31,-2.5 -2,-0.4 2,-0.4 -0.984 11.8-173.6-114.8 135.2 -3.1 11.1 13.1 9 11 A T E -Ab 274 39A 2 265,-2.7 265,-2.7 -2,-0.4 2,-0.4 -0.980 4.6-175.7-124.8 149.0 0.1 12.7 14.2 10 12 A V E -Ab 273 40A 2 29,-2.3 31,-3.0 -2,-0.4 2,-0.4 -0.999 2.3-175.0-136.5 140.2 3.7 11.9 13.4 11 13 A S E +Ab 272 41A 3 261,-2.0 261,-2.5 -2,-0.4 2,-0.4 -0.997 2.4 179.1-135.6 147.6 7.0 13.2 14.5 12 14 A W E - b 0 42A 11 29,-1.9 31,-1.8 -2,-0.4 2,-1.6 -0.964 26.2-152.3-146.2 113.4 10.4 12.5 13.4 13 15 A N E + b 0 43A 11 -2,-0.4 256,-0.3 29,-0.2 31,-0.2 -0.766 39.3 164.6 -79.4 84.1 13.7 14.0 14.6 14 16 A S E > - 0 0 9 -2,-1.6 3,-2.2 29,-1.1 2,-0.5 0.491 19.1-167.3 -95.0 -7.5 15.0 13.2 11.1 15 17 A G E 3 S- b 0 44A 12 28,-1.5 30,-1.4 1,-0.3 -1,-0.2 -0.413 73.5 -18.3 68.4-108.5 18.2 15.4 11.0 16 18 A H T 3 S+ 0 0 131 -2,-0.5 -1,-0.3 28,-0.2 28,-0.1 0.377 104.3 122.0-108.6 -7.5 19.4 15.4 7.3 17 19 A E < - 0 0 84 -3,-2.2 2,-0.2 1,-0.1 -3,-0.1 -0.279 58.6-128.0 -63.6 149.1 17.4 12.4 6.2 18 20 A R - 0 0 160 1,-0.1 -1,-0.1 40,-0.0 -2,-0.1 -0.630 38.5 -75.8-101.6 151.1 14.9 12.9 3.4 19 21 A A - 0 0 38 -2,-0.2 -1,-0.1 35,-0.1 4,-0.1 -0.199 57.3-125.0 -45.0 123.5 11.2 12.0 3.3 20 22 A P - 0 0 19 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.229 16.6-112.3 -67.8 170.2 11.2 8.2 2.8 21 23 A T S S+ 0 0 152 1,-0.2 2,-1.5 2,-0.1 3,-0.2 0.815 103.1 72.1 -74.5 -30.5 9.2 6.7 -0.1 22 24 A N > + 0 0 81 1,-0.2 4,-1.3 2,-0.1 -1,-0.2 -0.602 50.0 154.8 -94.3 78.2 6.6 5.0 2.1 23 25 A L H > + 0 0 10 -2,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.784 66.2 66.0 -71.8 -29.0 4.6 7.9 3.4 24 26 A E H >>S+ 0 0 69 -3,-0.2 5,-2.8 1,-0.2 6,-0.7 0.889 104.3 44.6 -64.0 -40.3 1.4 5.8 3.9 25 27 A E H >45S+ 0 0 35 3,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.943 111.3 53.2 -64.4 -48.2 3.2 3.8 6.7 26 28 A L H 3<5S+ 0 0 8 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.829 115.7 41.3 -52.7 -39.1 4.6 7.0 8.2 27 29 A L H 3<5S- 0 0 0 -4,-2.1 -1,-0.2 246,-0.1 -2,-0.2 0.440 113.3-113.4 -97.0 2.1 1.0 8.5 8.3 28 30 A G T <<5S+ 0 0 0 -3,-1.1 5,-0.2 -4,-0.6 -3,-0.2 0.839 81.1 120.6 70.1 37.1 -0.8 5.4 9.5 29 31 A L > < + 0 0 4 -5,-2.8 3,-1.3 -6,-0.2 -4,-0.2 0.327 41.9 94.6-109.2 0.3 -2.8 4.9 6.2 30 32 A N T 3 S+ 0 0 100 -6,-0.7 -1,-0.1 1,-0.3 -5,-0.1 0.476 81.7 54.1 -76.7 -5.8 -1.5 1.4 5.4 31 33 A S T 3 S- 0 0 79 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.220 126.3 -94.1-108.2 11.4 -4.5 -0.4 7.1 32 34 A G S < S+ 0 0 64 -3,-1.3 2,-0.2 1,-0.3 -2,-0.1 0.552 73.9 151.4 90.4 11.4 -7.1 1.6 5.1 33 35 A E - 0 0 73 -5,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.489 30.8-163.8 -75.3 148.2 -7.8 4.3 7.6 34 36 A T - 0 0 94 -2,-0.2 -28,-0.2 55,-0.0 -5,-0.1 -0.715 15.9-164.4-128.4 77.8 -8.9 7.8 6.5 35 37 A P - 0 0 1 0, 0.0 -28,-0.1 0, 0.0 54,-0.1 -0.283 21.6-131.9 -68.1 153.1 -8.3 10.1 9.4 36 38 A D S S+ 0 0 23 -30,-0.5 53,-2.2 1,-0.2 2,-0.3 0.868 88.8 24.2 -71.5 -34.2 -9.9 13.5 9.4 37 39 A V E -bC 7 88A 0 -31,-1.7 -29,-2.3 51,-0.2 2,-0.4 -0.981 63.8-170.2-136.6 144.1 -6.8 15.4 10.4 38 40 A I E -bC 8 87A 1 49,-2.1 49,-3.0 -2,-0.3 2,-0.4 -1.000 2.1-172.2-134.3 130.9 -3.1 14.7 9.9 39 41 A A E -bC 9 86A 0 -31,-2.5 -29,-2.3 -2,-0.4 2,-0.5 -0.995 2.8-167.2-127.9 136.7 -0.1 16.6 11.4 40 42 A V E -bC 10 85A 14 45,-2.6 45,-2.2 -2,-0.4 2,-0.4 -0.978 5.6-176.0-123.2 117.9 3.5 16.0 10.6 41 43 A A E -bC 11 84A 1 -31,-3.0 -29,-1.9 -2,-0.5 2,-0.3 -0.952 4.0-179.4-115.0 136.4 6.3 17.5 12.7 42 44 A V E -bC 12 83A 39 41,-2.4 41,-2.2 -2,-0.4 2,-0.4 -0.949 12.1-159.7-130.7 149.6 10.0 17.2 11.9 43 45 A Q E +bC 13 82A 27 -31,-1.8 -28,-1.5 -2,-0.3 -29,-1.1 -0.980 36.9 106.8-124.5 146.3 13.2 18.4 13.6 44 46 A G E -b 15 0A 0 37,-2.1 2,-0.4 -2,-0.4 -28,-0.2 -0.857 60.3 -65.2-179.4-148.5 16.5 18.8 11.9 45 47 A F S S+ 0 0 112 -30,-1.4 36,-0.2 -2,-0.2 35,-0.1 -1.000 96.3 0.8-140.7 129.6 19.1 21.2 10.5 46 48 A G >> + 0 0 24 -2,-0.4 4,-1.7 34,-0.2 5,-0.6 0.707 66.8 143.9 65.4 31.6 18.8 23.6 7.5 47 49 A F T 45S+ 0 0 49 33,-1.6 33,-0.2 32,-0.2 8,-0.1 0.926 75.4 47.5 -61.0 -45.8 15.2 23.1 6.3 48 50 A Q T 45S+ 0 0 103 31,-0.6 -1,-0.2 1,-0.2 32,-0.1 0.935 111.5 45.1 -63.6 -53.7 14.8 26.7 5.4 49 51 A T T 45S- 0 0 114 31,-0.1 -1,-0.2 1,-0.0 -2,-0.2 0.879 93.4-161.7 -60.4 -31.5 18.0 27.3 3.5 50 52 A D T <5 + 0 0 42 -4,-1.7 3,-0.2 1,-0.1 -3,-0.1 0.949 20.6 168.7 47.1 62.6 17.0 23.8 1.8 51 53 A K S + 0 0 149 -3,-0.2 4,-0.6 1,-0.1 -2,-0.1 0.888 62.8 142.1 63.4 39.6 16.8 20.8 -2.4 54 56 A Q H > + 0 0 48 1,-0.1 4,-2.6 2,-0.1 5,-0.2 0.636 50.5 85.0 -83.1 -18.4 14.4 18.3 -0.7 55 57 A G H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.943 90.0 42.3 -47.3 -66.3 11.8 21.0 -0.4 56 58 A P H > S+ 0 0 91 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.897 115.4 50.5 -52.1 -46.8 10.2 20.6 -3.9 57 59 A A H X S+ 0 0 35 -4,-0.6 4,-2.7 1,-0.2 5,-0.3 0.863 107.9 54.5 -60.1 -39.3 10.3 16.7 -3.6 58 60 A C H X S+ 0 0 47 -4,-2.6 4,-2.7 -3,-0.2 5,-0.3 0.952 111.3 44.4 -55.0 -51.0 8.6 16.9 -0.1 59 61 A V H X S+ 0 0 70 -4,-2.0 4,-3.4 1,-0.2 5,-0.3 0.952 114.2 48.5 -62.2 -51.7 5.7 18.9 -1.5 60 62 A K H X S+ 0 0 152 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.920 115.8 42.7 -57.5 -47.2 5.3 16.8 -4.6 61 63 A N H X S+ 0 0 80 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.912 119.8 41.0 -69.9 -45.5 5.4 13.5 -2.7 62 64 A F H X S+ 0 0 23 -4,-2.7 4,-2.7 -5,-0.3 5,-0.3 0.941 118.0 48.3 -66.0 -45.4 3.1 14.6 0.2 63 65 A Q H X S+ 0 0 61 -4,-3.4 4,-2.5 -5,-0.3 5,-0.3 0.900 109.2 51.7 -64.2 -45.6 0.7 16.5 -2.2 64 66 A S H X S+ 0 0 71 -4,-2.5 4,-1.1 -5,-0.3 -1,-0.2 0.940 116.2 40.5 -55.2 -48.3 0.4 13.7 -4.7 65 67 A L H X S+ 0 0 36 -4,-1.6 4,-0.7 -5,-0.2 -2,-0.2 0.958 120.9 39.5 -69.7 -48.0 -0.6 11.2 -2.0 66 68 A L H <>S+ 0 0 1 -4,-2.7 5,-2.3 1,-0.2 4,-0.3 0.836 107.3 59.0 -79.5 -34.2 -2.8 13.3 0.2 67 69 A T H ><5S+ 0 0 85 -4,-2.5 3,-1.6 -5,-0.3 -1,-0.2 0.925 104.7 52.9 -59.9 -41.1 -4.7 15.3 -2.5 68 70 A S H 3<5S+ 0 0 105 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.762 106.2 55.1 -62.6 -28.0 -6.1 12.0 -4.0 69 71 A K T 3<5S- 0 0 74 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.504 125.6-102.4 -85.6 -2.8 -7.3 11.0 -0.6 70 72 A G T < 5S+ 0 0 35 -3,-1.6 20,-2.6 -4,-0.3 21,-0.4 0.622 73.2 141.3 93.6 14.5 -9.3 14.2 -0.2 71 73 A Y E < -D 89 0A 8 -5,-2.3 2,-0.4 18,-0.3 -1,-0.3 -0.658 37.3-155.0 -89.6 145.1 -7.0 16.2 2.1 72 74 A T E -D 88 0A 44 16,-2.8 16,-2.1 -2,-0.3 2,-0.7 -0.974 21.7-125.6-108.9 133.2 -6.2 19.9 1.9 73 75 A K E -D 87 0A 75 -2,-0.4 14,-0.3 14,-0.2 3,-0.2 -0.660 23.8-173.2 -75.6 113.8 -2.9 21.2 3.3 74 76 A L E - 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D 0 71A 15 -53,-2.2 3,-2.0 -2,-0.4 4,-0.4 -0.441 34.9-130.8 -50.8 121.8 -10.2 16.5 4.8 90 92 A E G > S+ 0 0 105 -20,-2.6 3,-1.7 1,-0.3 -1,-0.1 0.812 100.7 70.7 -49.1 -34.3 -11.6 19.2 2.5 91 93 A K G 3 S+ 0 0 164 -21,-0.4 -1,-0.3 1,-0.3 -20,-0.1 0.725 95.7 52.3 -61.0 -24.8 -15.2 18.2 3.3 92 94 A H G < S+ 0 0 11 -3,-2.0 31,-0.4 -56,-0.1 -1,-0.3 0.636 89.2 103.8 -83.0 -15.0 -14.9 19.5 6.9 93 95 A L < - 0 0 27 -3,-1.7 2,-0.4 -4,-0.4 29,-0.1 -0.460 42.0-179.5 -80.4 139.4 -13.7 23.0 5.9 94 96 A D >> - 0 0 74 27,-0.4 4,-1.7 -2,-0.2 3,-1.4 -0.950 19.1-151.2-132.7 114.0 -15.8 26.1 5.9 95 97 A Q T 34 S+ 0 0 139 -2,-0.4 4,-0.5 1,-0.3 -1,-0.1 0.819 91.4 60.0 -53.9 -39.2 -13.9 29.2 4.7 96 98 A N T 34 S+ 0 0 136 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.750 120.7 22.8 -60.6 -31.7 -16.0 31.6 6.8 97 99 A T T <4 S+ 0 0 54 -3,-1.4 -1,-0.2 24,-0.1 -2,-0.2 0.508 91.9 98.9-115.2 -8.8 -15.1 30.0 10.1 98 100 A L < - 0 0 6 -4,-1.7 23,-3.1 22,-0.1 -2,-0.1 0.845 53.6-172.9 -57.0 -43.9 -11.8 28.2 9.5 99 101 A K - 0 0 136 -4,-0.5 2,-0.3 21,-0.2 20,-0.1 0.889 11.8-163.2 50.4 48.7 -9.7 31.0 11.0 100 102 A N + 0 0 55 20,-0.1 2,-0.3 21,-0.1 20,-0.2 -0.470 18.7 165.3 -66.9 119.4 -6.4 29.3 9.9 101 103 A E E -F 119 0B 122 18,-2.4 18,-3.0 -2,-0.3 2,-0.4 -0.999 20.0-173.8-142.5 146.1 -3.5 30.8 11.9 102 104 A T E -F 118 0B 34 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.989 3.0-170.6-136.5 140.0 0.1 29.9 12.6 103 105 A I E -F 117 0B 57 14,-2.2 14,-2.5 -2,-0.4 2,-0.4 -0.947 9.9-150.9-125.7 151.5 2.6 31.6 14.9 104 106 A I E -F 116 0B 87 -2,-0.3 2,-0.5 12,-0.2 12,-0.2 -0.981 7.0-158.2-120.2 135.6 6.3 31.0 15.3 105 107 A V E -F 115 0B 11 10,-2.8 10,-2.2 -2,-0.4 2,-0.5 -0.972 5.1-170.1-117.9 123.1 8.1 31.5 18.5 106 108 A T E +F 114 0B 61 -2,-0.5 8,-0.2 8,-0.2 -2,-0.0 -0.952 6.1 179.0-113.3 129.7 11.9 32.1 18.4 107 109 A V + 0 0 49 6,-1.8 2,-0.2 -2,-0.5 7,-0.2 0.666 64.2 44.1-115.5 -18.4 13.4 31.9 21.8 108 110 A D S > S- 0 0 40 5,-0.6 3,-0.6 30,-0.0 32,-0.0 -0.626 85.5-113.0-110.4 176.7 17.1 32.5 21.0 109 111 A D T 3 S+ 0 0 140 -2,-0.2 -3,-0.0 1,-0.2 -1,-0.0 0.570 113.4 63.0 -86.5 -12.6 18.8 35.1 18.6 110 112 A Q T 3 S- 0 0 118 3,-0.0 -1,-0.2 0, 0.0 0, 0.0 0.290 104.7-129.4 -86.7 4.7 20.0 32.3 16.3 111 113 A K S < S+ 0 0 104 -3,-0.6 -31,-0.5 1,-0.1 -30,-0.4 0.729 75.9 118.5 47.5 32.0 16.3 31.4 15.6 112 114 A K + 0 0 74 -32,-0.1 2,-0.3 -33,-0.1 -1,-0.1 0.737 62.4 45.2 -97.8 -33.5 17.2 27.7 16.4 113 115 A S S S+ 0 0 1 21,-0.1 -6,-1.8 19,-0.0 -5,-0.6 -0.793 79.8 66.1-110.0 161.3 15.0 26.9 19.4 114 116 A G E -FG 106 133B 3 19,-2.5 19,-2.5 -2,-0.3 2,-0.3 -0.994 67.5-100.3 133.5-135.6 11.3 27.6 20.1 115 117 A G E -FG 105 132B 0 -10,-2.2 -10,-2.8 -2,-0.4 2,-0.3 -0.972 9.1-118.1-170.6 179.6 8.2 26.3 18.3 116 118 A I E -FG 104 131B 0 15,-2.4 15,-1.9 -2,-0.3 2,-0.4 -0.999 16.4-165.0-136.6 136.7 5.4 26.6 15.9 117 119 A V E -FG 103 130B 1 -14,-2.5 -14,-2.2 -2,-0.3 2,-0.5 -0.993 4.8-175.8-127.2 125.6 1.6 26.5 16.5 118 120 A T E +FG 102 129B 0 11,-2.4 11,-2.5 -2,-0.4 2,-0.3 -0.989 11.9 178.0-118.5 128.7 -0.9 26.0 13.8 119 121 A S E +FG 101 128B 1 -18,-3.0 -18,-2.4 -2,-0.5 2,-0.3 -0.942 6.6 165.8-133.8 148.6 -4.6 26.3 14.7 120 122 A F E - 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