==== 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) 26-JAN-94 1HVL . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR T.N.BHAT,M.V.HOSUR,E.T.BALDWIN,J.W.ERICKSON . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9965.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 36.4 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 . 1 0.5 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 . 39 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.1 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 . 2 1.0 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 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 3 0 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 2 3 0 0 2 2 2 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 1 A P 0 0 78 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 170.2 -2.6 6.8 34.8 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.991 360.0-160.6-109.8 122.9 1.1 6.4 34.7 3 3 A I E -A 197 0A 29 194,-3.3 194,-2.7 -2,-0.5 2,-0.2 -0.894 3.4-154.0-109.6 126.5 2.0 3.3 32.7 4 4 A T - 0 0 71 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.495 16.0-131.3 -90.5 166.6 5.3 1.6 33.0 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.184 72.9 109.3-113.4 22.4 6.8 -0.5 30.2 6 6 A W S S+ 0 0 177 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.926 94.0 24.1 -63.8 -37.2 7.9 -3.6 32.0 7 7 A Q S S- 0 0 146 -3,-0.3 -1,-0.0 1,-0.1 0, 0.0 -0.822 111.2 -70.5-118.6 172.7 5.0 -5.2 30.2 8 8 A R - 0 0 131 -2,-0.3 2,-2.5 1,-0.2 119,-0.1 -0.291 48.4-120.3 -52.7 131.6 3.1 -4.5 27.1 9 9 A P + 0 0 4 0, 0.0 15,-2.9 0, 0.0 2,-0.5 -0.410 51.3 164.7 -79.3 69.5 0.9 -1.4 27.6 10 10 A L E +D 23 0B 71 -2,-2.5 2,-0.3 13,-0.2 13,-0.2 -0.730 8.2 173.4 -84.4 128.6 -2.3 -3.1 26.9 11 11 A V E -D 22 0B 14 11,-3.3 11,-3.4 -2,-0.5 2,-0.5 -0.833 33.6-100.7-127.0 172.0 -5.4 -1.5 27.9 12 12 A T E -D 21 0B 69 -2,-0.3 55,-1.8 9,-0.2 2,-0.4 -0.747 37.0-173.1 -88.7 126.7 -9.2 -2.0 27.6 13 13 A I E -DE 20 66B 0 7,-3.5 7,-2.3 -2,-0.5 2,-0.6 -0.862 17.2-140.3-113.5 155.7 -11.0 0.0 25.0 14 14 A K E +DE 19 65B 101 51,-2.7 51,-2.5 -2,-0.4 2,-0.4 -0.949 30.7 160.9-116.2 126.7 -14.6 0.3 24.2 15 15 A I E > -DE 18 64B 2 3,-3.2 3,-2.9 -2,-0.6 49,-0.1 -0.988 65.5 -7.7-145.0 133.7 -15.7 0.4 20.7 16 16 A G T 3 S- 0 0 56 47,-0.6 3,-0.1 -2,-0.4 -1,-0.1 0.833 128.2 -58.2 56.3 27.5 -19.0 -0.2 18.9 17 17 A G T 3 S+ 0 0 62 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.527 116.4 117.4 71.0 3.7 -20.3 -1.3 22.3 18 18 A Q E < -D 15 0B 112 -3,-2.9 -3,-3.2 2,-0.0 2,-0.5 -0.790 61.4-135.1 -97.7 152.0 -17.6 -3.9 22.4 19 19 A L E +D 14 0B 119 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.879 34.1 164.0 -95.3 128.2 -14.8 -4.3 24.9 20 20 A K E -D 13 0B 41 -7,-2.3 -7,-3.5 -2,-0.5 2,-0.4 -0.949 35.1-119.2-132.5 162.6 -11.4 -5.1 23.5 21 21 A E E +D 12 0B 108 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.850 36.1 178.7 -98.2 142.1 -7.8 -5.0 24.6 22 22 A A E -D 11 0B 0 -11,-3.4 -11,-3.3 -2,-0.4 2,-0.5 -0.969 27.9-115.4-142.1 157.6 -5.4 -2.8 22.7 23 23 A L E -Df 10 84B 9 60,-3.3 62,-3.1 -2,-0.3 2,-0.8 -0.774 22.0-134.3 -93.8 126.2 -1.8 -1.7 22.7 24 24 A L E - f 0 85B 0 -15,-2.9 2,-0.7 -2,-0.5 62,-0.1 -0.653 34.0-173.1 -77.1 113.5 -0.9 1.9 23.4 25 25 A D > + 0 0 17 60,-2.7 3,-1.5 -2,-0.8 62,-0.3 -0.765 28.9 178.7-125.8 98.2 1.6 2.5 20.7 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 99,-0.1 0.737 85.8 60.0 -65.3 -18.9 3.7 5.7 20.3 27 27 A G T 3 S+ 0 0 21 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.593 88.5 85.1 -85.7 -5.3 5.4 4.3 17.2 28 28 A A < - 0 0 19 -3,-1.5 59,-3.0 57,-0.2 60,-0.2 -0.820 58.1-162.0 -96.1 131.8 2.2 3.9 15.2 29 29 A D S S+ 0 0 51 -2,-0.5 59,-1.0 57,-0.2 2,-0.2 0.856 77.3 36.3 -67.9 -33.7 0.9 6.9 13.2 30 30 A D S S- 0 0 59 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.705 82.2-108.9-120.8 165.5 -2.5 5.3 12.9 31 31 A T - 0 0 0 43,-0.5 45,-2.6 -2,-0.2 2,-0.4 -0.871 32.5-175.7-102.1 123.2 -5.0 3.1 14.8 32 32 A V E -gH 76 84B 10 52,-1.3 52,-3.3 -2,-0.5 2,-0.3 -0.968 0.8-175.1-123.9 115.0 -5.4 -0.5 13.5 33 33 A L E -g 77 0B 1 43,-3.3 45,-2.5 -2,-0.4 47,-0.3 -0.794 31.6 -96.1-108.9 152.1 -7.9 -3.0 14.9 34 34 A E - 0 0 70 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.111 65.5 -63.8 -55.9 159.9 -8.6 -6.6 14.2 35 35 A E S S+ 0 0 114 43,-0.3 2,-0.3 45,-0.2 -1,-0.2 -0.221 76.5 137.7 -57.0 129.3 -11.2 -7.5 11.8 36 36 A M - 0 0 26 -3,-0.2 2,-0.8 2,-0.0 -3,-0.1 -0.993 52.8 -99.8-163.6 157.3 -14.7 -6.5 12.9 37 37 A S + 0 0 112 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.756 39.2 174.5 -93.4 119.7 -17.9 -5.0 11.8 38 38 A L - 0 0 15 -2,-0.8 2,-0.3 2,-0.1 -2,-0.0 -0.883 36.0-106.1-114.0 152.6 -18.4 -1.5 12.6 39 39 A P S S+ 0 0 102 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.549 76.8 63.2 -73.7 139.7 -21.3 0.7 11.5 40 40 A G S S- 0 0 30 -2,-0.3 2,-0.2 2,-0.0 -2,-0.1 -0.559 84.0 -75.4 133.9 155.4 -20.4 3.1 8.8 41 41 A R - 0 0 217 -2,-0.2 19,-0.4 19,-0.1 2,-0.3 -0.608 51.1-161.2 -79.1 154.4 -19.3 3.4 5.3 42 42 A W - 0 0 108 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.973 16.6-140.2-139.6 157.2 -15.6 2.6 4.7 43 43 A K E -I 58 0B 98 15,-1.9 15,-3.7 -2,-0.3 2,-0.2 -0.921 29.9-115.6-108.1 139.1 -12.8 3.2 2.2 44 44 A P E +I 57 0B 101 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.485 45.1 174.1 -67.2 139.4 -10.3 0.5 1.3 45 45 A K E -I 56 0B 62 11,-2.9 11,-3.4 -2,-0.2 2,-0.4 -0.952 26.0-133.0-140.5 159.2 -6.8 1.6 2.4 46 46 A M E +I 55 0B 100 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.957 22.0 176.7-116.8 141.9 -3.2 0.4 2.6 47 47 A I E -I 54 0B 16 7,-2.3 7,-3.2 -2,-0.4 2,-0.3 -0.992 10.7-150.7-139.1 151.4 -0.8 0.6 5.5 48 48 A G E +I 53 0B 41 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.745 22.7 143.7-119.8 166.9 2.6 -0.6 6.1 49 49 A G E > -I 52 0B 37 3,-2.8 3,-1.3 -2,-0.3 2,-0.1 -0.811 63.4 -23.4-158.8-152.5 5.0 -1.7 8.8 50 50 A I T 3 S+ 0 0 28 1,-0.2 101,-1.9 -2,-0.2 102,-0.4 -0.461 131.8 22.6 -63.0 137.1 7.8 -4.3 9.3 51 51 A G T 3 S- 0 0 34 100,-0.2 2,-0.4 99,-0.2 -1,-0.2 0.258 122.4 -84.0 91.9 -23.9 7.2 -7.0 6.8 52 52 A G E < -I 49 0B 23 -3,-1.3 -3,-2.8 100,-0.2 2,-0.4 -0.938 62.7 -21.2 136.5-158.3 5.2 -5.0 4.4 53 53 A F E -I 48 0B 150 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.862 40.8-167.7-108.7 137.3 1.8 -3.6 3.5 54 54 A I E -I 47 0B 22 -7,-3.2 -7,-2.3 -2,-0.4 2,-0.5 -0.901 23.3-119.3-118.7 158.0 -1.6 -4.8 4.4 55 55 A K E +I 46 0B 153 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.792 40.3 170.7 -90.2 128.8 -5.0 -4.0 3.1 56 56 A V E -I 45 0B 6 -11,-3.4 -11,-2.9 -2,-0.5 2,-0.5 -0.883 32.8-115.0-129.3 170.2 -7.4 -2.4 5.6 57 57 A R E -IJ 44 77B 59 20,-3.0 20,-2.5 -2,-0.3 2,-0.7 -0.906 27.9-140.6-104.1 131.8 -10.7 -0.7 5.8 58 58 A Q E -IJ 43 76B 36 -15,-3.7 -15,-1.9 -2,-0.5 2,-0.5 -0.784 16.7-175.1 -97.3 122.9 -10.9 2.8 6.8 59 59 A Y E - J 0 75B 7 16,-3.1 16,-3.2 -2,-0.7 3,-0.4 -0.933 14.0-150.8-110.5 124.4 -13.6 4.1 9.1 60 60 A D E + 0 0 70 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.520 65.7 10.4 -88.8 155.8 -13.8 7.8 9.8 61 61 A Q E S+ 0 0 170 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.833 79.0 168.9 48.8 43.2 -15.0 9.7 12.8 62 62 A I E - J 0 73B 23 11,-2.4 11,-2.6 -3,-0.4 2,-0.6 -0.652 32.2-129.0 -88.0 135.3 -15.4 6.7 15.1 63 63 A L E + J 0 72B 86 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.685 33.8 170.9 -84.6 124.0 -16.0 7.1 18.8 64 64 A I E -EJ 15 71B 0 7,-3.4 7,-3.0 -2,-0.6 2,-0.6 -0.978 22.9-147.7-132.2 146.4 -13.7 5.1 20.9 65 65 A E E -EJ 14 70B 51 -51,-2.5 -51,-2.7 -2,-0.4 2,-0.6 -0.927 9.9-170.4-118.3 125.1 -13.2 5.1 24.6 66 66 A I E > S-EJ 13 69B 0 3,-3.4 3,-2.7 -2,-0.6 -53,-0.2 -0.927 75.6 -27.9-116.2 115.2 -9.8 4.4 26.1 67 67 A C T 3 S- 0 0 59 -55,-1.8 -1,-0.2 -2,-0.6 -54,-0.1 0.908 128.1 -46.9 47.2 45.1 -9.6 3.8 29.8 68 68 A G T 3 S+ 0 0 57 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.423 116.1 116.1 78.4 -7.7 -12.6 6.0 30.2 69 69 A H E < - J 0 66B 73 -3,-2.7 -3,-3.4 1,-0.0 2,-0.3 -0.829 60.5-130.7 -99.1 133.2 -11.3 8.8 28.0 70 70 A K E + J 0 65B 142 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.575 25.9 175.6 -81.9 138.5 -13.2 9.6 24.8 71 71 A A E - 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