==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ACID PROTEASE) 22-JUN-94 1HVC . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.N.BHAT,E.T.BALDWIN,J.W.ERICKSON . 203 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 35.0 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 . 6 3.0 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 . 34 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 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 RESIDUES PER ALPHA HELIX . 0 2 1 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 PARALLEL BRIDGES PER LADDER . 2 3 2 0 1 1 1 3 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 . 0 0 1 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 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 1BA P 0 0 100 0, 0.0 202,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 163.3 11.7 15.7 29.9 2 2BA Q E -A 202 0A 90 200,-0.2 2,-0.5 201,-0.2 200,-0.2 -0.990 360.0-157.8-127.7 135.8 8.3 15.3 28.2 3 3BA I E -A 201 0A 31 198,-3.2 198,-3.0 -2,-0.4 2,-0.2 -0.927 8.7-151.9-113.9 126.0 7.6 14.2 24.6 4 4BA T - 0 0 66 -2,-0.5 3,-0.2 196,-0.2 196,-0.1 -0.498 12.8-137.8 -84.2 160.4 4.4 15.0 22.9 5 5BA L S S+ 0 0 2 194,-0.4 190,-0.2 -2,-0.2 189,-0.1 0.109 74.8 105.5-112.9 18.8 2.9 12.8 20.2 6 6BA W S S+ 0 0 186 189,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.874 94.8 29.1 -58.5 -35.8 1.8 15.6 17.7 7 7BA Q S S- 0 0 154 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.680 111.1 -77.0-110.6 167.9 4.8 14.4 15.7 8 8BA R - 0 0 145 -2,-0.2 2,-2.4 1,-0.1 123,-0.1 -0.583 49.8-118.4 -62.8 129.6 6.6 11.1 15.4 9 9BA P + 0 0 5 0, 0.0 15,-3.3 0, 0.0 2,-0.4 -0.418 52.1 162.5 -76.7 70.2 8.8 10.7 18.6 10 10BA L E +D 23 0B 69 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.718 9.9 174.0 -88.5 134.6 12.1 10.7 16.9 11 11BA V E -D 22 0B 15 11,-3.2 11,-2.8 -2,-0.4 2,-0.6 -0.905 34.0 -99.7-136.7 165.6 15.2 11.3 18.9 12 12BA T E +D 21 0B 50 -2,-0.3 55,-1.3 9,-0.2 2,-0.3 -0.775 39.2 179.0 -86.7 124.2 19.0 11.3 18.7 13 13BA I E -DE 20 66B 0 7,-3.4 7,-2.5 -2,-0.6 2,-0.4 -0.733 20.1-140.5-107.0 165.5 20.8 8.3 20.0 14 14BA R E +DE 19 65B 70 51,-1.0 51,-2.3 -2,-0.3 2,-0.3 -0.999 23.2 168.3-129.5 141.8 24.4 7.5 20.0 15 15BA I S S- 0 0 4 3,-1.2 2,-0.2 -2,-0.4 49,-0.1 -0.840 77.2 -12.5-153.6 89.9 25.6 4.0 19.3 16 16BA G S S- 0 0 61 47,-0.4 0, 0.0 -2,-0.3 0, 0.0 -0.655 125.8 -46.5 82.3-162.6 29.3 4.0 18.8 17 17BA G S S+ 0 0 92 -2,-0.2 2,-0.4 -3,-0.1 -1,-0.1 0.168 115.9 109.8 -86.0 22.6 30.6 7.6 18.4 18 18BA Q - 0 0 88 -3,-0.1 -3,-1.2 2,-0.0 2,-0.4 -0.829 64.5-141.0-102.8 126.9 27.7 8.2 16.0 19 19BA L E +D 14 0B 121 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.738 30.0 176.3 -79.3 138.0 24.6 10.2 16.4 20 20BA K E -D 13 0B 30 -7,-2.5 -7,-3.4 -2,-0.4 2,-0.4 -0.972 29.6-121.7-132.3 156.9 21.5 8.5 14.9 21 21BA E E +D 12 0B 122 -2,-0.3 62,-0.4 -9,-0.3 2,-0.3 -0.794 37.5 172.6 -91.4 139.2 17.8 9.3 14.7 22 22BA A E -D 11 0B 0 -11,-2.8 -11,-3.2 -2,-0.4 2,-0.5 -0.990 30.3-113.9-147.7 155.8 15.4 6.7 16.3 23 23BA L E -Df 10 84B 13 60,-3.4 62,-3.2 -2,-0.3 2,-0.9 -0.732 21.4-131.0 -93.5 128.4 11.8 6.4 17.1 24 24BA L E - f 0 85B 3 -15,-3.3 2,-0.6 -2,-0.5 62,-0.1 -0.662 36.5-176.2 -77.6 108.4 10.5 6.1 20.6 25 25BA D > + 0 0 17 60,-2.1 3,-0.8 -2,-0.9 62,-0.3 -0.855 27.1 177.3-124.5 102.8 8.2 3.0 20.4 26 26BA T T 3 S+ 0 0 0 -2,-0.6 102,-0.1 1,-0.2 -1,-0.1 0.625 84.2 58.6 -74.7 -15.1 6.1 1.7 23.2 27 27BA G T 3 S+ 0 0 19 85,-0.1 2,-0.6 100,-0.1 -1,-0.2 0.562 88.1 89.1 -91.6 -7.6 4.5 -1.1 21.1 28 28BA A < - 0 0 19 -3,-0.8 59,-3.0 57,-0.2 60,-0.3 -0.785 56.2-165.9 -92.0 121.7 7.8 -2.7 20.2 29 29BA D S S+ 0 0 54 -2,-0.6 59,-1.0 57,-0.2 2,-0.2 0.866 76.4 43.1 -61.6 -36.6 9.1 -5.4 22.5 30 30BA D S S- 0 0 48 57,-0.1 2,-0.5 58,-0.1 57,-0.2 -0.678 81.5-115.9-115.0 161.3 12.5 -5.1 20.9 31 31BA T E -g 75 0B 1 43,-0.5 45,-2.8 -2,-0.2 2,-0.5 -0.896 30.7-169.5-101.4 121.6 15.0 -2.6 19.6 32 32BA V E -gH 76 84B 7 52,-1.5 52,-3.0 -2,-0.5 2,-0.4 -0.937 2.7-172.9-119.0 122.2 15.7 -2.6 15.9 33 33BA L E -g 77 0B 0 43,-3.2 45,-2.9 -2,-0.5 47,-0.2 -0.829 28.5-101.1-113.8 151.5 18.4 -0.7 14.1 34 34BA E E -g 78 0B 71 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.149 61.0 -67.3 -55.6 154.3 19.2 -0.2 10.6 35 35BA E + 0 0 89 43,-0.7 2,-0.3 45,-0.2 -1,-0.2 -0.177 69.3 146.1 -44.5 123.4 22.0 -2.1 9.0 36 36BA M - 0 0 20 -3,-0.2 2,-1.1 2,-0.0 -3,-0.1 -0.969 49.8-111.0-154.3 153.3 25.5 -1.2 10.3 37 37BA N - 0 0 139 -2,-0.3 -2,-0.0 40,-0.0 0, 0.0 -0.710 37.1-177.6-101.2 98.9 28.4 -3.5 10.8 38 38BA L - 0 0 32 -2,-1.1 2,-0.2 1,-0.0 -2,-0.0 -0.667 27.3-122.6 -84.2 145.2 29.2 -4.1 14.4 39 39BA P S S+ 0 0 118 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.542 76.0 67.5 -80.9 150.7 32.2 -6.1 15.7 40 40BA G S S- 0 0 62 -2,-0.2 2,-0.3 19,-0.0 19,-0.0 -0.628 86.8 -75.8 122.7 170.3 30.9 -8.9 17.9 41 41BA K - 0 0 183 -2,-0.2 19,-0.5 19,-0.1 2,-0.3 -0.801 42.8-167.5-112.3 158.6 28.9 -12.0 17.3 42 42BA W E -I 59 0B 110 -2,-0.3 17,-0.2 17,-0.1 34,-0.1 -0.832 17.1-129.0-135.4 164.0 25.3 -12.2 16.7 43 43BA K E -I 58 0B 75 15,-1.5 15,-3.5 -2,-0.3 2,-0.2 -0.926 31.4-112.3-118.0 148.2 22.5 -14.7 16.6 44 44BA P E +I 57 0B 107 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.555 42.9 171.8 -79.1 143.7 20.0 -15.0 13.6 45 45BA K E -I 56 0B 74 11,-2.4 11,-3.5 -2,-0.2 2,-0.5 -0.996 29.2-141.1-148.5 151.7 16.5 -14.0 14.5 46 46BA M E -I 55 0B 104 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.975 22.6-170.0-109.5 120.0 13.1 -13.4 12.7 47 47BA I E -I 54 0B 17 7,-2.1 7,-2.1 -2,-0.5 2,-0.3 -0.848 6.2-151.9-109.0 147.7 11.0 -10.5 14.0 48 48BA G E +I 53 0B 43 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.726 22.8 146.8-113.0 166.5 7.5 -9.7 13.0 49 49BA G E > -I 52 0B 30 3,-1.8 3,-0.9 -2,-0.3 106,-0.1 -0.724 62.0 -29.7-163.2-146.4 5.2 -6.8 12.7 50 50BA I T 3 S+ 0 0 30 1,-0.2 105,-0.2 -2,-0.2 107,-0.1 0.915 132.4 21.5 -50.6 -53.8 2.3 -5.5 10.6 51 51BA G T 3 S- 0 0 28 103,-2.3 2,-0.3 105,-0.3 -1,-0.2 0.221 121.6 -70.8-108.3 13.8 3.0 -7.0 7.3 52 52BA G E < -I 49 0B 25 -3,-0.9 -3,-1.8 102,-0.5 2,-0.3 -0.906 62.4 -43.9 134.9-162.0 5.2 -10.0 8.1 53 53BA F E -I 48 0B 135 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.784 33.9-169.1-111.6 151.1 8.7 -11.0 9.2 54 54BA I E -I 47 0B 31 -7,-2.1 -7,-2.1 -2,-0.3 2,-0.4 -0.954 28.3-111.7-130.8 158.8 12.2 -10.0 8.4 55 55BA K E +I 46 0B 161 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.698 39.9 175.0 -90.7 140.0 15.5 -11.6 9.3 56 56BA V E -I 45 0B 6 -11,-3.5 -11,-2.4 -2,-0.4 2,-0.5 -0.894 30.6-118.1-136.2 164.9 17.7 -9.7 11.7 57 57BA R E -IJ 44 77B 44 20,-2.2 20,-2.9 -2,-0.3 2,-0.7 -0.930 26.4-141.7-109.5 126.2 21.0 -10.2 13.6 58 58BA Q E -IJ 43 76B 35 -15,-3.5 -15,-1.5 -2,-0.5 2,-0.4 -0.770 17.5-175.3 -90.8 115.8 20.9 -10.1 17.3 59 59BA Y E -IJ 42 75B 5 16,-2.7 16,-1.8 -2,-0.7 3,-0.3 -0.882 15.3-143.3-106.4 137.9 23.7 -8.4 19.2 60 60BA D E + 0 0 75 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.778 69.7 13.2-105.6 152.6 23.8 -8.6 23.0 61 61BA Q E S+ 0 0 166 -2,-0.3 2,-0.4 1,-0.2 13,-0.2 0.853 72.5 166.1 55.3 44.2 24.9 -5.9 25.5 62 62BA I E - J 0 73B 32 11,-3.0 11,-2.5 -3,-0.3 2,-0.5 -0.719 29.2-139.2 -82.7 135.1 25.0 -2.9 23.1 63 63BA L E + J 0 72B 73 -2,-0.4 -47,-0.4 9,-0.2 2,-0.4 -0.848 24.9 178.8 -93.7 132.6 25.2 0.4 25.0 64 64BA I E - J 0 71B 0 7,-2.1 7,-1.7 -2,-0.5 2,-0.6 -0.970 23.8-141.2-125.8 143.6 23.1 3.3 23.6 65 65BA E E -EJ 14 70B 66 -51,-2.3 -51,-1.0 -2,-0.4 2,-0.8 -0.885 18.9-173.7-103.4 115.3 22.6 6.9 24.8 66 66BA I E > S-EJ 13 69B 2 3,-2.7 3,-1.7 -2,-0.6 -53,-0.2 -0.855 73.7 -26.8-106.7 107.8 19.0 8.0 24.4 67 67BA C T 3 S- 0 0 56 -55,-1.3 -1,-0.2 -2,-0.8 -54,-0.1 0.903 127.4 -45.8 58.5 43.0 18.6 11.6 25.2 68 68BA G T 3 S+ 0 0 57 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.445 119.0 113.0 75.1 0.4 21.6 11.8 27.6 69 69BA H E < - J 0 66B 66 -3,-1.7 -3,-2.7 2,-0.0 2,-0.2 -0.898 60.9-136.7-105.1 127.6 20.4 8.4 29.3 70 70BA K E + J 0 65B 147 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.571 24.2 173.6 -88.2 147.5 22.4 5.2 29.0 71 71BA A E - J 0 64B 1 -7,-1.7 -7,-2.1 -2,-0.2 2,-0.4 -0.965 14.0-158.2-144.4 152.1 20.8 1.8 28.4 72 72BA I E + J 0 63B 87 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.971 37.8 100.1-140.9 125.2 22.4 -1.5 27.7 73 73BA G E - 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