==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 06-MAY-99 1CMI . COMPND 2 MOLECULE: PROTEIN INHIBITOR OF NEURONAL NITRIC OXIDE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.LIANG,W.GUO,S.JAFFERY,S.SNYDER,J.CLARDY . 194 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 72.2 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 . 63 32.5 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 . 2 1.0 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 29.4 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 1 2 1 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 0 1 1 4 0 0 2 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 . 2 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 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 5 A K 0 0 202 0, 0.0 74,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 79.4 33.4 24.4 19.0 2 6 A A - 0 0 42 72,-0.1 2,-0.4 70,-0.0 72,-0.2 -0.416 360.0-167.7 -70.3 145.0 35.4 21.9 17.0 3 7 A V E -A 73 0A 61 70,-2.4 70,-3.0 -2,-0.1 2,-0.5 -0.923 11.9-146.2-137.8 108.3 33.5 19.6 14.6 4 8 A I E +A 72 0A 66 -2,-0.4 68,-0.2 68,-0.2 3,-0.2 -0.645 20.7 173.7 -78.7 121.4 35.2 16.6 13.1 5 9 A K E S+ 0 0 112 66,-2.0 67,-0.2 -2,-0.5 2,-0.2 0.729 73.3 1.4 -97.8 -27.6 33.9 16.0 9.5 6 10 A N E S+A 71 0A 71 65,-2.0 65,-2.1 0, 0.0 2,-0.4 -0.683 71.0 176.6-165.9 102.6 36.2 13.2 8.5 7 11 A A E +A 70 0A 40 63,-0.2 63,-0.2 -2,-0.2 61,-0.0 -0.894 18.9 165.9-116.3 145.5 38.9 11.7 10.7 8 12 A D + 0 0 57 61,-3.1 62,-0.2 -2,-0.4 -1,-0.1 0.496 57.0 89.8-125.3 -22.1 41.3 8.8 10.0 9 13 A M S S- 0 0 14 60,-1.2 59,-0.2 1,-0.1 58,-0.1 -0.172 86.4 -79.2 -78.3 170.4 43.7 9.3 12.9 10 14 A S > - 0 0 56 57,-0.5 4,-2.8 1,-0.1 5,-0.2 -0.311 41.1-110.7 -67.4 150.4 43.8 8.0 16.5 11 15 A E H > S+ 0 0 162 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.764 121.4 49.5 -53.1 -25.6 41.6 9.7 19.1 12 16 A E H > S+ 0 0 142 2,-0.2 4,-1.4 1,-0.1 -1,-0.2 0.931 111.3 44.3 -79.0 -50.4 44.8 11.0 20.6 13 17 A M H > S+ 0 0 17 1,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.798 111.9 57.9 -63.4 -28.3 46.3 12.4 17.4 14 18 A Q H X S+ 0 0 53 -4,-2.8 4,-1.6 1,-0.2 3,-0.3 0.876 102.2 51.8 -69.9 -39.0 42.9 13.8 16.8 15 19 A Q H X S+ 0 0 134 -4,-1.1 4,-2.1 -5,-0.2 -1,-0.2 0.838 106.7 54.9 -67.8 -31.9 42.8 15.7 20.0 16 20 A D H X S+ 0 0 28 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.759 103.3 56.5 -71.9 -26.2 46.2 17.2 19.1 17 21 A S H X S+ 0 0 1 -4,-0.9 4,-2.2 -3,-0.3 -2,-0.2 0.946 110.9 41.5 -69.5 -50.4 44.8 18.5 15.8 18 22 A V H X S+ 0 0 31 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.974 117.4 46.4 -59.9 -58.7 42.0 20.5 17.4 19 23 A E H X S+ 0 0 99 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.932 113.9 48.4 -49.3 -55.8 44.2 21.9 20.3 20 24 A C H X S+ 0 0 6 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.891 112.0 48.7 -55.0 -43.4 47.0 22.8 18.0 21 25 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.849 107.3 58.0 -67.1 -32.8 44.6 24.5 15.5 22 26 A T H X S+ 0 0 44 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.929 105.8 47.2 -62.7 -47.7 43.0 26.4 18.5 23 27 A Q H X S+ 0 0 98 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.909 111.9 51.4 -61.8 -40.3 46.3 27.9 19.5 24 28 A A H X S+ 0 0 0 -4,-1.8 4,-3.6 1,-0.2 -1,-0.2 0.871 110.7 48.0 -65.3 -36.6 47.0 28.9 15.9 25 29 A L H < S+ 0 0 50 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.838 108.7 53.5 -72.3 -33.3 43.6 30.6 15.6 26 30 A E H < S+ 0 0 130 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.757 122.9 31.4 -70.4 -21.9 44.1 32.4 18.9 27 31 A K H < S+ 0 0 74 -4,-1.1 88,-1.1 -5,-0.2 89,-0.4 0.798 110.7 55.0-107.1 -37.9 47.4 33.7 17.4 28 32 A Y B < -D 114 0B 38 -4,-3.6 86,-0.2 86,-0.2 -1,-0.1 -0.844 42.7-170.5-110.7 143.3 47.2 34.2 13.6 29 33 A N S S+ 0 0 58 84,-1.8 2,-0.6 -2,-0.4 84,-0.1 0.764 72.1 75.5 -92.5 -30.0 44.9 36.1 11.4 30 34 A I S >> S- 0 0 66 83,-0.5 4,-1.8 1,-0.1 3,-1.3 -0.775 73.1-141.8 -94.3 119.3 46.1 34.8 8.0 31 35 A E H 3> S+ 0 0 86 -2,-0.6 4,-3.1 1,-0.3 5,-0.2 0.795 100.9 58.4 -40.6 -45.2 45.1 31.2 7.0 32 36 A K H 3> S+ 0 0 160 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.916 108.4 45.2 -56.3 -45.5 48.5 30.5 5.5 33 37 A D H <> S+ 0 0 32 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.849 112.3 51.6 -68.8 -33.1 50.2 31.2 8.8 34 38 A I H X S+ 0 0 6 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.929 110.1 49.5 -67.8 -41.4 47.6 29.1 10.6 35 39 A A H X S+ 0 0 14 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.910 110.8 50.8 -61.6 -42.8 48.3 26.3 8.2 36 40 A A H X S+ 0 0 36 -4,-2.3 4,-3.1 -5,-0.2 5,-0.3 0.946 106.7 53.1 -60.4 -50.7 52.0 26.6 8.8 37 41 A H H X S+ 0 0 39 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.941 113.1 43.2 -50.2 -54.5 51.7 26.5 12.5 38 42 A I H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.899 115.1 49.4 -59.8 -45.1 49.8 23.3 12.4 39 43 A K H X S+ 0 0 56 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.977 111.4 47.8 -60.5 -57.4 52.0 21.7 9.8 40 44 A K H X S+ 0 0 119 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.879 111.0 52.4 -52.2 -42.0 55.2 22.5 11.6 41 45 A E H X S+ 0 0 73 -4,-2.3 4,-2.7 -5,-0.3 5,-0.3 0.924 111.5 45.1 -62.4 -44.9 53.9 21.2 14.9 42 46 A F H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.857 107.8 56.5 -69.8 -33.8 52.9 17.9 13.4 43 47 A D H X S+ 0 0 33 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.892 114.8 42.3 -62.1 -36.1 56.1 17.5 11.5 44 48 A K H < S+ 0 0 140 -4,-1.7 3,-0.4 -5,-0.2 -2,-0.2 0.983 120.9 36.1 -70.8 -64.4 57.8 17.8 14.9 45 49 A K H < S+ 0 0 130 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.757 135.7 22.3 -65.1 -28.9 55.6 15.7 17.1 46 50 A Y H < S- 0 0 48 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.226 109.2-112.9-125.8 15.0 54.8 13.0 14.5 47 51 A N < - 0 0 104 -4,-0.7 -3,-0.2 -3,-0.4 -2,-0.1 0.453 55.4 -18.0 67.5 148.5 57.7 13.3 12.1 48 52 A P S S+ 0 0 70 0, 0.0 37,-0.1 0, 0.0 35,-0.1 -0.073 90.2 45.8 -55.4 159.8 57.5 14.5 8.4 49 53 A T + 0 0 47 35,-0.3 35,-2.2 33,-0.1 2,-0.2 0.386 55.2 142.2-124.2 130.9 55.8 14.9 6.2 50 54 A W E -B 83 0A 0 33,-0.2 2,-0.3 -11,-0.1 33,-0.2 -0.676 23.8-160.1-111.8 166.7 52.5 16.7 6.8 51 55 A H E -B 82 0A 70 31,-1.9 31,-2.0 -2,-0.2 2,-0.4 -0.994 7.7-159.4-144.0 143.9 50.5 19.2 4.8 52 56 A C E -B 81 0A 21 -2,-0.3 2,-0.4 29,-0.2 29,-0.2 -0.982 9.0-171.7-135.2 139.6 47.8 21.6 5.9 53 57 A I E -B 80 0A 55 27,-2.8 27,-2.7 -2,-0.4 2,-0.4 -0.988 7.7-177.7-126.7 131.9 45.0 23.6 4.3 54 58 A V E +B 79 0A 18 -2,-0.4 2,-0.3 25,-0.2 25,-0.2 -0.992 28.2 95.2-130.9 131.7 42.9 26.2 6.0 55 59 A G E -B 78 0A 7 23,-2.0 23,-2.1 -2,-0.4 3,-0.1 -0.996 64.4-108.5 173.8-177.2 40.0 28.1 4.5 56 60 A R S S+ 0 0 103 -2,-0.3 128,-1.0 1,-0.2 2,-0.4 0.646 100.0 35.5-111.2 -23.3 36.3 28.6 3.9 57 61 A N E S+E 183 0C 124 126,-0.2 2,-0.3 21,-0.1 -1,-0.2 -0.857 79.6 96.9-141.7 106.5 36.1 27.8 0.2 58 62 A F E -E 182 0C 35 124,-1.2 124,-2.5 -2,-0.4 2,-0.3 -0.958 44.2-142.3-175.2 158.3 38.1 25.1 -1.6 59 63 A G E -E 181 0C 44 -2,-0.3 2,-0.3 122,-0.2 122,-0.2 -0.951 25.0-177.1-128.1 149.5 38.0 21.6 -2.9 60 64 A S E -E 180 0C 26 120,-2.5 120,-2.3 -2,-0.3 2,-0.4 -0.982 22.5-160.0-148.7 160.4 40.9 19.2 -2.8 61 65 A Y E +E 179 0C 166 -2,-0.3 2,-0.3 118,-0.2 118,-0.2 -0.955 29.2 160.8-141.6 117.4 42.1 15.7 -3.8 62 66 A V E -E 178 0C 24 116,-2.4 116,-2.3 -2,-0.4 2,-0.5 -0.863 37.3-124.5-137.2 169.4 45.2 14.3 -2.0 63 67 A T E +E 177 0C 65 -2,-0.3 2,-0.3 114,-0.2 114,-0.2 -0.973 39.3 168.4-117.3 122.9 47.0 11.0 -1.3 64 68 A H E -E 176 0C 0 112,-2.9 112,-2.7 -2,-0.5 2,-0.3 -0.824 40.0 -97.6-131.7 169.1 47.7 10.3 2.4 65 69 A E E > -E 175 0C 46 18,-2.3 3,-1.4 3,-0.3 18,-0.3 -0.700 53.1-103.6 -84.4 138.0 48.8 7.5 4.7 66 70 A T T 3 S+ 0 0 29 108,-2.5 -1,-0.1 -2,-0.3 -58,-0.0 -0.214 106.8 25.8 -59.8 155.0 45.9 5.7 6.3 67 71 A K T 3 S+ 0 0 143 -58,-0.1 -57,-0.5 1,-0.1 -1,-0.3 0.585 106.9 88.0 65.4 10.4 45.1 6.7 10.0 68 72 A H < + 0 0 47 -3,-1.4 15,-1.9 -59,-0.2 -3,-0.3 -0.396 64.8 93.1-135.1 58.2 46.8 10.0 9.2 69 73 A F E + C 0 82A 2 13,-0.2 -61,-3.1 -5,-0.1 -60,-1.2 -0.987 38.4 170.7-152.8 137.1 44.0 12.2 7.9 70 74 A I E -AC 7 81A 0 11,-2.0 11,-2.8 -2,-0.3 2,-0.4 -0.963 9.4-178.1-153.5 133.1 41.6 14.7 9.4 71 75 A Y E +AC 6 80A 17 -65,-2.1 -65,-2.0 -2,-0.3 -66,-2.0 -1.000 29.1 145.9-127.7 124.4 39.1 17.3 8.1 72 76 A F E -AC 4 79A 2 7,-2.2 7,-3.2 -2,-0.4 2,-0.4 -0.977 43.2-109.6-156.5 169.1 37.2 19.4 10.6 73 77 A Y E +AC 3 78A 35 -70,-3.0 -70,-2.4 -2,-0.3 2,-0.3 -0.860 28.5 170.0-107.0 138.1 35.6 22.7 11.5 74 78 A L E > - C 0 77A 12 3,-2.5 3,-2.0 -2,-0.4 2,-0.2 -0.950 67.7 -29.7-146.8 122.5 37.0 25.1 14.1 75 79 A G T 3 S- 0 0 40 -2,-0.3 -53,-0.0 1,-0.3 -2,-0.0 -0.530 122.8 -38.0 67.1-134.0 35.6 28.6 14.4 76 80 A Q T 3 S+ 0 0 112 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.147 123.0 88.6-108.4 17.3 34.3 29.6 11.0 77 81 A V E < - C 0 74A 5 -3,-2.0 -3,-2.5 107,-0.0 2,-0.4 -0.759 66.4-138.1-114.9 159.8 37.2 27.9 9.2 78 82 A A E -BC 55 73A 0 -23,-2.1 -23,-2.0 -2,-0.3 2,-0.4 -0.942 16.4-156.4-116.5 139.0 37.8 24.4 7.9 79 83 A I E -BC 54 72A 1 -7,-3.2 -7,-2.2 -2,-0.4 2,-0.5 -0.961 9.8-169.5-123.5 133.1 41.1 22.5 8.3 80 84 A L E +BC 53 71A 0 -27,-2.7 -27,-2.8 -2,-0.4 2,-0.4 -0.982 14.7 173.3-118.2 115.3 42.5 19.7 6.3 81 85 A L E +BC 52 70A 0 -11,-2.8 -11,-2.0 -2,-0.5 2,-0.3 -0.991 9.4 151.8-126.4 126.7 45.6 18.1 7.8 82 86 A F E -BC 51 69A 16 -31,-2.0 -31,-1.9 -2,-0.4 2,-0.4 -0.998 34.5-129.2-154.2 154.2 47.2 15.0 6.4 83 87 A K E +B 50 0A 22 -15,-1.9 -18,-2.3 -2,-0.3 2,-0.3 -0.859 24.2 167.2-108.6 138.5 50.5 13.2 6.1 84 88 A S 0 0 34 -35,-2.2 -35,-0.3 -2,-0.4 -20,-0.1 -0.851 360.0 360.0-150.2 107.5 52.0 11.8 2.9 85 89 A G 0 0 77 -2,-0.3 -20,-0.1 -37,-0.1 -1,-0.1 -0.439 360.0 360.0 97.6 360.0 55.6 10.8 2.9 86 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 87 5 B K 0 0 212 0, 0.0 74,-0.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 99.4 45.6 55.2 7.9 88 6 B A E -F 160 0D 40 72,-0.2 2,-0.5 70,-0.0 72,-0.2 -0.780 360.0-169.1 -94.2 130.0 48.7 56.0 9.8 89 7 B V E -F 159 0D 61 70,-1.1 70,-2.1 -2,-0.5 2,-0.7 -0.912 14.6-146.2-121.1 103.2 48.9 59.2 11.9 90 8 B I E +F 158 0D 61 -2,-0.5 68,-0.2 68,-0.2 3,-0.2 -0.559 23.3 172.9 -69.9 111.3 52.3 60.2 13.2 91 9 B K E S+ 0 0 116 66,-1.2 2,-0.3 -2,-0.7 67,-0.2 0.868 71.0 2.7 -86.7 -42.5 51.6 61.8 16.5 92 10 B N E S+F 157 0D 62 65,-2.4 65,-2.8 101,-0.0 2,-0.4 -0.916 74.3 164.4-149.7 117.8 55.1 62.2 17.8 93 11 B A E +F 156 0D 31 -2,-0.3 63,-0.2 63,-0.2 61,-0.0 -0.998 22.2 171.0-140.6 142.2 58.2 61.3 15.8 94 12 B D + 0 0 59 61,-2.7 2,-0.2 -2,-0.4 62,-0.2 0.301 56.7 98.0-126.5 3.5 62.0 62.1 16.0 95 13 B M S S- 0 0 13 60,-0.7 59,-0.1 1,-0.1 58,-0.1 -0.506 81.8 -81.2 -96.6 164.3 63.3 59.7 13.4 96 14 B S > - 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