==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-DEC-03 1RV7 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR B.C.LOGSDON,J.F.VICKREY,P.MARTIN,G.PROTEASA,J.I.KOEPKE, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10789.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 31.3 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 . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 24 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.0 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 1 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 0 RESIDUES PER ALPHA HELIX . 0 3 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 0 PARALLEL BRIDGES PER LADDER . 1 1 3 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 90 0, 0.0 198,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 101.6 26.4 57.1 -6.9 2 2 A Q E -A 198 0A 132 196,-0.2 2,-0.4 197,-0.1 196,-0.2 -0.722 360.0-158.5-104.1 146.2 25.9 56.5 -3.3 3 3 A I E -A 197 0A 41 194,-1.8 194,-1.1 -2,-0.3 195,-0.0 -0.707 7.2-154.3-143.6 91.7 22.6 55.2 -2.1 4 4 A T E -A 196 0A 53 -2,-0.4 3,-0.4 192,-0.2 2,-0.2 -0.116 23.0-131.9 -41.4 147.9 21.3 55.4 1.4 5 5 A L S S+ 0 0 1 190,-0.6 186,-0.2 1,-0.2 -1,-0.1 -0.250 73.2 113.6-105.5 42.5 18.8 52.7 2.1 6 6 A W S S+ 0 0 164 -2,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.839 85.4 38.8 -74.0 -29.5 16.1 54.5 3.6 7 7 A Q S S- 0 0 131 -3,-0.4 -1,-0.1 180,-0.0 0, 0.0 -0.865 113.2 -85.6-104.3 154.4 14.0 53.7 0.5 8 8 A R - 0 0 143 -2,-0.3 2,-1.6 1,-0.1 119,-0.1 -0.555 48.5-115.2 -66.0 129.2 14.2 50.3 -1.1 9 9 A P + 0 0 5 0, 0.0 15,-1.8 0, 0.0 2,-0.4 -0.450 50.8 161.2 -70.3 75.4 17.3 50.4 -3.6 10 10 A I E +D 23 0B 91 -2,-1.6 13,-0.2 13,-0.2 2,-0.2 -0.813 11.3 176.2 -97.5 130.0 15.6 50.0 -6.9 11 11 A V E -D 22 0B 21 11,-2.6 11,-2.6 -2,-0.4 2,-0.6 -0.645 30.7-105.4-128.5 175.1 17.4 51.0 -9.9 12 12 A T E -D 21 0B 67 9,-0.2 55,-1.7 -2,-0.2 2,-0.3 -0.960 31.8-173.0-120.5 122.5 17.1 50.9 -13.6 13 13 A I E -DE 20 66B 3 7,-1.4 7,-1.7 -2,-0.6 2,-0.5 -0.872 18.3-141.0 -95.6 143.8 19.0 48.5 -15.6 14 14 A K E +DE 19 65B 101 51,-2.2 51,-3.3 -2,-0.3 2,-0.3 -0.855 39.6 149.5-111.0 133.3 19.3 48.4 -19.4 15 15 A I E > +DE 18 64B 5 3,-3.1 3,-0.9 -2,-0.5 49,-0.1 -0.950 58.4 18.3-167.8 138.6 19.3 44.8 -20.6 16 16 A G T 3 S- 0 0 42 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.725 125.4 -70.2 71.6 10.4 18.1 43.0 -23.6 17 17 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 -0.125 122.3 93.3 85.2 -36.2 18.0 46.6 -25.4 18 18 A Q E < S-D 15 0B 99 -3,-0.9 -3,-3.1 -4,-0.1 2,-0.3 -0.461 75.9-125.6 -87.9 165.5 15.0 47.3 -23.2 19 19 A L E +D 14 0B 101 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.932 31.4 170.3-118.2 149.2 15.0 49.1 -19.7 20 20 A K E -D 13 0B 11 -7,-1.7 -7,-1.4 -2,-0.3 2,-0.2 -0.908 34.5 -99.0-156.4 167.9 13.6 47.7 -16.5 21 21 A E E +D 12 0B 114 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.613 42.1 175.3 -92.2 144.0 13.3 48.2 -12.9 22 22 A A E -D 11 0B 3 -11,-2.6 -11,-2.6 -2,-0.2 2,-0.3 -0.981 25.3-130.3-150.4 160.9 15.6 46.2 -10.4 23 23 A L E -Df 10 84B 24 60,-1.2 62,-2.3 -2,-0.3 2,-1.3 -0.716 19.1-133.7-116.5 121.4 16.6 45.8 -6.6 24 24 A L E - f 0 85B 0 -15,-1.8 2,-0.7 -2,-0.3 62,-0.2 -0.664 34.3-178.1 -80.0 101.6 20.1 45.7 -5.4 25 25 A N E > + f 0 86B 25 60,-3.0 3,-0.8 -2,-1.3 62,-0.6 -0.869 23.8 178.7-112.0 106.8 19.9 42.7 -3.1 26 26 A T T 3 S+ 0 0 1 -2,-0.7 -1,-0.1 1,-0.3 98,-0.1 0.611 89.0 60.0 -82.2 -15.9 23.0 41.8 -1.2 27 27 A G T 3 S+ 0 0 28 81,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.616 96.4 71.1 -78.7 -24.8 20.9 39.1 0.3 28 28 A A < - 0 0 22 -3,-0.8 59,-1.7 57,-0.2 60,-0.1 -0.881 63.1-169.3 -90.2 127.2 20.4 37.6 -3.2 29 29 A D + 0 0 56 -2,-0.5 59,-1.1 57,-0.2 2,-0.2 0.666 66.9 40.8-100.6 -11.0 23.3 36.1 -4.6 30 30 A D S S- 0 0 55 57,-0.2 2,-0.5 58,-0.1 57,-0.2 -0.671 84.3-111.6-131.7 170.3 22.2 35.5 -8.2 31 31 A T - 0 0 7 43,-0.3 45,-2.2 -2,-0.2 2,-0.4 -0.985 28.4-174.9-121.6 113.9 20.3 37.8 -10.5 32 32 A V E -g 76 0B 19 -2,-0.5 52,-2.8 52,-0.3 2,-0.3 -0.940 3.3-167.5-106.5 128.5 16.7 37.0 -11.6 33 33 A L E -g 77 0B 7 43,-1.5 45,-1.4 -2,-0.4 3,-0.1 -0.870 31.7-103.2-117.5 143.6 14.8 39.0 -14.1 34 34 A E S S- 0 0 79 -2,-0.3 -1,-0.2 1,-0.3 44,-0.1 0.097 77.4 -46.7 -52.6-174.9 11.1 38.7 -14.8 35 35 A E S S+ 0 0 148 43,-0.2 -1,-0.3 45,-0.1 2,-0.3 -0.304 81.1 152.2 -74.8 144.3 10.4 36.9 -18.0 36 36 A V - 0 0 20 -3,-0.1 2,-0.6 2,-0.1 -20,-0.1 -0.934 38.2-124.2-165.0 152.0 12.8 38.4 -20.9 37 37 A N + 0 0 118 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.983 28.2 175.7-120.6 141.1 14.1 37.0 -23.9 38 38 A L - 0 0 12 -2,-0.6 -2,-0.1 2,-0.1 39,-0.0 -0.908 29.6 -97.3-133.4 155.9 17.6 36.9 -24.7 39 39 A P - 0 0 112 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.102 68.7 -3.5 -75.5 156.7 19.6 35.4 -27.5 40 40 A G S S+ 0 0 65 19,-0.0 2,-0.1 2,-0.0 -2,-0.1 -0.335 95.2 1.3 65.6-144.2 21.5 32.2 -27.9 41 41 A R + 0 0 219 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.526 51.7 161.3-102.0 159.6 22.2 29.5 -25.5 42 42 A W - 0 0 106 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.808 23.5-136.0-159.2 168.9 21.4 28.9 -21.9 43 43 A K E -H 58 0B 81 15,-1.4 15,-2.1 -2,-0.3 13,-0.1 -0.977 30.1-105.4-141.4 138.1 21.2 26.1 -19.4 44 44 A P E +H 57 0B 76 0, 0.0 2,-0.3 0, 0.0 13,-0.2 0.046 39.8 176.3 -58.6 168.8 18.6 25.3 -16.9 45 45 A K E -H 56 0B 66 11,-1.3 11,-2.5 2,-0.0 2,-0.4 -0.944 20.6-135.5-175.6 136.7 19.3 26.2 -13.0 46 46 A L E +H 55 0B 89 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.916 25.0 171.3-107.0 153.5 17.3 25.9 -9.9 47 47 A I E +H 54 0B 30 7,-2.3 7,-0.8 -2,-0.4 2,-0.1 -0.856 49.7 30.7-146.6 176.4 17.0 28.5 -7.3 48 48 A G E +H 53 0B 64 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.453 50.5 176.0 66.7-144.6 14.9 29.0 -4.3 49 49 A G + 0 0 31 3,-1.4 2,-1.7 1,-0.4 4,-0.3 0.318 35.2 128.3 115.3 -3.9 13.9 25.6 -2.8 50 50 A I S S- 0 0 168 2,-0.3 -1,-0.4 1,-0.2 0, 0.0 -0.845 104.0 -9.9 -76.2 97.0 12.2 26.8 0.3 51 51 A G S S- 0 0 86 -2,-1.7 2,-0.2 -3,-0.1 -1,-0.2 0.560 147.3 -13.8 82.0 18.6 9.2 24.6 -0.7 52 52 A G S S- 0 0 43 2,-0.1 -3,-1.4 0, 0.0 2,-0.5 -0.482 76.1 -99.9 134.0 148.7 10.4 23.7 -4.0 53 53 A F E -H 48 0B 131 -4,-0.3 2,-0.2 -2,-0.2 -5,-0.2 -0.977 31.3-137.0 -91.3 134.2 13.0 24.9 -6.3 54 54 A V E -H 47 0B 66 -7,-0.8 -7,-2.3 -2,-0.5 2,-0.3 -0.641 18.3-137.7 -81.0 141.4 11.9 27.1 -9.0 55 55 A K E +H 46 0B 150 -2,-0.2 2,-0.3 -9,-0.2 -9,-0.2 -0.758 33.2 163.1 -94.4 137.4 13.5 26.2 -12.2 56 56 A V E -H 45 0B 6 -11,-2.5 -11,-1.3 -2,-0.3 2,-0.6 -0.850 37.9 -87.6-142.4 172.0 14.7 29.1 -14.4 57 57 A R E -HI 44 77B 84 20,-4.1 20,-3.3 -2,-0.3 2,-0.8 -0.843 27.4-144.8 -94.5 134.7 17.1 29.7 -17.4 58 58 A Q E +HI 43 76B 25 -15,-2.1 -15,-1.4 -2,-0.6 2,-0.4 -0.718 17.4 178.8 -91.4 103.4 20.7 30.4 -17.0 59 59 A Y E - I 0 75B 13 16,-1.5 16,-2.8 -2,-0.8 2,-0.2 -0.905 15.3-155.8 -93.3 138.4 22.2 32.8 -19.6 60 60 A D E + 0 0 73 -2,-0.4 14,-0.1 -19,-0.4 13,-0.1 -0.788 66.0 18.2-116.7 150.7 26.2 33.5 -19.0 61 61 A Q E S+ 0 0 164 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.898 78.1 170.2 49.2 64.2 28.1 36.5 -20.2 62 62 A V E - I 0 73B 16 11,-1.4 11,-2.3 -3,-0.2 -1,-0.2 -0.850 35.0-124.8-104.5 120.2 25.4 38.9 -20.8 63 63 A P E + I 0 72B 88 0, 0.0 -47,-0.6 0, 0.0 2,-0.3 -0.363 43.0 158.5 -46.1 125.8 25.7 42.6 -21.5 64 64 A I E -EI 15 71B 12 7,-3.7 7,-4.5 -49,-0.1 2,-0.5 -0.984 28.1-147.2-152.1 144.7 23.7 44.7 -19.0 65 65 A E E -EI 14 70B 56 -51,-3.3 -51,-2.2 -2,-0.3 2,-0.4 -0.940 12.6-179.4-111.3 142.5 23.9 48.2 -17.9 66 66 A I E > S-EI 13 69B 1 3,-2.3 3,-2.0 -2,-0.5 -53,-0.2 -0.990 75.9 -16.1-129.8 127.3 23.1 49.4 -14.4 67 67 A C T 3 S- 0 0 62 -55,-1.7 -1,-0.1 -2,-0.4 -54,-0.1 0.933 128.4 -48.5 44.8 52.3 23.5 53.2 -13.8 68 68 A G T 3 S+ 0 0 54 1,-0.2 2,-1.4 -3,-0.1 -1,-0.3 0.428 115.4 129.1 70.7 -4.1 25.6 54.1 -16.9 69 69 A H E < - I 0 66B 61 -3,-2.0 -3,-2.3 2,-0.0 2,-0.4 -0.640 46.8-164.6 -75.5 86.3 27.5 51.0 -15.5 70 70 A K E + I 0 65B 178 -2,-1.4 2,-0.3 -5,-0.3 -5,-0.3 -0.566 22.6 161.8 -75.4 122.6 27.8 48.9 -18.5 71 71 A V E - I 0 64B 19 -7,-4.5 -7,-3.7 -2,-0.4 2,-0.4 -0.907 33.1-138.0-132.4 167.1 28.7 45.4 -17.2 72 72 A I E + I 0 63B 89 -2,-0.3 2,-0.3 -9,-0.3 -11,-0.1 -0.878 37.4 141.0-131.5 114.8 28.6 42.0 -18.5 73 73 A G E - I 0 62B 8 -11,-2.3 -11,-1.4 -2,-0.4 2,-0.1 -0.914 54.7 -76.5-154.6 157.2 27.4 38.9 -16.4 74 74 A T E - 0 0 53 -2,-0.3 2,-0.5 -13,-0.2 -14,-0.3 -0.426 51.6-172.9 -45.6 128.0 25.5 35.4 -15.8 75 75 A V E - I 0 59B 2 -16,-2.8 -16,-1.5 -2,-0.1 2,-0.3 -0.963 15.6-138.6-143.0 108.5 21.8 36.4 -15.6 76 76 A L E -gI 32 58B 2 -45,-2.2 -43,-1.5 -2,-0.5 2,-0.3 -0.654 19.3-152.8 -74.4 143.6 19.0 33.9 -14.7 77 77 A V E +gI 33 57B 3 -20,-3.3 -20,-4.1 -2,-0.3 -43,-0.2 -0.933 43.4 44.5-116.6 125.0 15.6 34.0 -16.6 78 78 A G S S+ 0 0 13 -45,-1.4 2,-0.7 -2,-0.3 -43,-0.2 -0.908 85.6 22.5 159.1-113.2 11.9 33.1 -15.9 79 79 A P + 0 0 85 0, 0.0 -45,-0.1 0, 0.0 -25,-0.1 -0.679 57.9 156.9 -98.0 124.7 9.5 33.7 -12.8 80 80 A T - 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