==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-MAR-09 3GGV . COMPND 2 MOLECULE: V-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR V.S.STOLL . 891 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 592 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 295 33.1 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 . 19 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 137 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 7 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 RESIDUES PER ALPHA HELIX . 0 10 6 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 PARALLEL BRIDGES PER LADDER . 9 12 9 0 8 11 1 7 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 4 0 0 1 7 1 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 B P 0 0 102 0, 0.0 198,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 143.9 21.1 3.5 28.9 2 2 B Q E -A 198 0A 124 196,-0.2 2,-0.5 2,-0.0 196,-0.2 -0.997 360.0-153.2-138.1 135.0 23.5 3.8 25.9 3 3 B I E -A 197 0A 43 194,-3.6 194,-2.9 -2,-0.4 2,-0.0 -0.944 1.5-154.5-120.2 121.5 24.1 1.0 23.4 4 4 B T - 0 0 74 -2,-0.5 192,-0.1 192,-0.2 3,-0.1 -0.214 19.9-130.6 -74.3 179.3 27.3 0.4 21.3 5 5 B L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.1 185,-0.1 0.055 73.1 110.0-126.2 25.8 26.9 -1.4 18.0 6 6 B W S S+ 0 0 164 185,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.828 91.8 26.3 -72.4 -32.9 29.6 -4.1 18.2 7 7 B Q S S- 0 0 162 -3,-0.1 0, 0.0 180,-0.0 0, 0.0 -0.524 114.5 -72.4-103.9-175.5 26.8 -6.7 18.5 8 8 B R - 0 0 133 -2,-0.2 2,-3.2 1,-0.1 119,-0.1 -0.697 47.6-115.7 -78.8 130.7 23.2 -6.4 17.3 9 9 B P + 0 0 6 0, 0.0 15,-1.9 0, 0.0 2,-0.8 -0.319 48.7 170.5 -67.6 68.2 21.2 -3.9 19.4 10 10 B L E +D 23 0B 82 -2,-3.2 2,-0.3 13,-0.2 13,-0.2 -0.763 5.5 176.3 -87.4 109.9 18.8 -6.6 20.6 11 11 B V E -D 22 0B 13 11,-2.7 11,-3.1 -2,-0.8 2,-0.3 -0.748 28.3-114.3-108.8 154.4 16.6 -5.1 23.4 12 12 B T E -D 21 0B 82 -2,-0.3 55,-1.6 9,-0.2 2,-0.3 -0.717 34.6-176.7 -95.0 148.0 13.7 -6.7 25.2 13 13 B I E -DE 20 66B 2 7,-3.1 7,-2.5 -2,-0.3 2,-0.4 -0.861 21.3-138.4-134.9 164.2 10.1 -5.6 24.9 14 14 B K E +DE 19 65B 103 51,-1.8 51,-2.2 -2,-0.3 2,-0.3 -0.980 27.3 158.9-130.1 119.3 6.6 -6.2 26.2 15 15 B I E > S+D 18 0B 2 3,-1.8 3,-3.0 -2,-0.4 49,-0.1 -0.973 74.2 7.7-130.3 147.5 3.5 -6.2 24.0 16 16 B G T 3 S- 0 0 58 47,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.838 129.9 -65.8 49.4 36.4 0.2 -7.9 24.9 17 17 B G T 3 S+ 0 0 83 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.696 111.9 127.3 58.4 19.9 1.7 -8.6 28.3 18 18 B Q E < -D 15 0B 92 -3,-3.0 -3,-1.8 0, 0.0 2,-0.6 -0.868 62.9-123.9-111.5 142.4 4.1 -10.8 26.5 19 19 B L E +D 14 0B 138 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.745 40.5 163.1 -86.0 118.7 7.9 -10.8 26.6 20 20 B K E -D 13 0B 49 -7,-2.5 -7,-3.1 -2,-0.6 2,-0.4 -0.853 31.9-129.7-129.1 164.0 9.5 -10.5 23.2 21 21 B E E -D 12 0B 115 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.930 30.8-179.6-113.8 142.6 13.0 -9.6 21.9 22 22 B A E -D 11 0B 1 -11,-3.1 -11,-2.7 -2,-0.4 2,-0.4 -0.960 28.0-114.0-146.7 162.8 13.5 -6.9 19.3 23 23 B L E -Df 10 84B 19 60,-2.9 62,-2.8 -2,-0.3 2,-1.2 -0.751 22.5-135.0 -97.5 135.0 16.0 -5.0 17.1 24 24 B L E - f 0 85B 0 -15,-1.9 2,-0.7 -2,-0.4 62,-0.1 -0.737 36.5-179.0 -90.1 92.6 16.6 -1.3 17.6 25 25 B D > - 0 0 13 60,-1.6 3,-1.3 -2,-1.2 62,-0.2 -0.804 26.0-178.1-110.0 104.7 16.6 -0.4 14.0 26 26 B T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 98,-0.1 0.649 84.5 62.7 -73.7 -13.8 17.2 3.3 12.9 27 27 B G T 3 S+ 0 0 21 81,-0.1 2,-0.6 96,-0.1 -1,-0.3 0.216 84.3 95.6 -94.3 15.0 16.8 2.4 9.2 28 28 B A < - 0 0 12 -3,-1.3 59,-3.4 57,-0.2 60,-0.3 -0.922 52.3-170.3-107.0 119.6 13.2 1.3 9.7 29 29 B D S S+ 0 0 52 -2,-0.6 59,-1.7 57,-0.2 2,-0.2 0.959 78.7 34.1 -63.4 -46.6 10.4 3.8 9.1 30 30 B D S S- 0 0 60 57,-0.2 2,-0.6 56,-0.1 57,-0.1 -0.665 85.9-112.1-113.3 158.6 7.9 1.5 10.6 31 31 B T - 0 0 1 43,-0.3 45,-2.7 -2,-0.2 2,-0.6 -0.801 33.2-166.5 -91.3 121.7 7.9 -1.0 13.5 32 32 B V E -gH 76 84B 8 52,-1.1 52,-3.0 -2,-0.6 2,-0.3 -0.943 3.9-170.0-120.5 119.1 7.5 -4.5 12.1 33 33 B L E -g 77 0B 0 43,-4.3 45,-2.1 -2,-0.6 47,-0.3 -0.736 24.1-103.7-106.6 151.0 6.6 -7.4 14.5 34 34 B E - 0 0 72 -2,-0.3 2,-0.2 43,-0.2 -1,-0.1 0.048 60.6 -58.2 -65.0 172.7 6.6 -11.1 14.0 35 35 B E S S+ 0 0 121 45,-0.3 2,-0.3 43,-0.2 -1,-0.2 -0.399 84.4 124.0 -59.6 119.3 3.5 -13.3 13.5 36 36 B M - 0 0 21 -2,-0.2 2,-0.4 -3,-0.2 -3,-0.0 -0.919 57.3-101.8-164.3 170.4 1.4 -12.8 16.6 37 37 B S - 0 0 104 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.883 32.2-172.6-114.4 145.8 -2.2 -11.7 17.3 38 38 B L - 0 0 23 -2,-0.4 39,-0.0 2,-0.1 -2,-0.0 -0.989 21.9-118.2-136.6 145.4 -3.4 -8.3 18.4 39 39 B P S S+ 0 0 104 0, 0.0 -23,-0.0 0, 0.0 -1,-0.0 -0.080 76.3 46.7 -65.2 174.5 -6.7 -6.7 19.5 40 40 B G S S- 0 0 70 19,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.106 93.6 -68.5 75.7 178.0 -8.3 -3.8 17.6 41 41 B R - 0 0 210 19,-0.1 19,-0.5 -2,-0.0 2,-0.3 -0.521 47.0-157.3-106.0 176.5 -8.8 -3.7 13.9 42 42 B W E -I 59 0B 118 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.999 18.5-139.6-159.0 142.4 -6.3 -3.5 10.9 43 43 B K E -I 58 0B 120 15,-1.0 15,-2.6 -2,-0.3 2,-0.1 -0.839 31.4-125.5 -97.6 140.4 -5.6 -2.6 7.2 44 44 B P E +I 57 0B 93 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.449 38.7 166.3 -73.7 162.8 -3.3 -4.9 5.2 45 45 B K E -I 56 0B 83 11,-1.1 11,-3.4 -2,-0.1 2,-0.4 -0.943 34.8-114.2-175.2 150.8 -0.3 -3.2 3.5 46 46 B M E -I 55 0B 101 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.825 25.5-153.5 -94.6 131.8 3.0 -3.9 1.7 47 47 B I E -I 54 0B 18 7,-2.1 7,-1.2 -2,-0.4 -2,-0.0 -0.909 11.9-132.5-109.2 145.2 6.3 -2.9 3.3 48 48 B G + 0 0 35 -2,-0.4 103,-0.2 5,-0.2 -1,-0.2 0.948 36.8 157.1 -57.4-101.2 9.5 -2.1 1.2 49 49 B G - 0 0 40 101,-0.1 3,-0.4 1,-0.1 -21,-0.0 0.149 57.2 -62.8 86.9 159.3 12.7 -3.7 2.4 50 50 B I S S+ 0 0 32 1,-0.2 2,-0.5 130,-0.1 -1,-0.1 0.896 119.5 7.4 -47.0 -68.2 16.0 -4.6 0.8 51 51 B G S S- 0 0 11 101,-0.7 -1,-0.2 97,-0.2 2,-0.1 -0.883 123.8 -21.1-124.9 104.4 14.9 -7.1 -1.8 52 52 B G S S- 0 0 33 -2,-0.5 99,-0.6 -3,-0.4 2,-0.3 -0.344 75.0 -88.6 90.4-178.4 11.2 -7.6 -2.4 53 53 B F - 0 0 136 98,-0.3 2,-0.3 97,-0.1 -5,-0.2 -0.794 23.4-151.3-132.2 162.4 8.2 -6.9 -0.2 54 54 B I E -I 47 0B 14 -7,-1.2 -7,-2.1 -2,-0.3 2,-0.6 -0.975 26.0-109.5-135.3 154.8 6.0 -8.5 2.5 55 55 B K E -I 46 0B 142 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.728 36.5-169.8 -81.3 117.7 2.3 -8.2 3.7 56 56 B V E -I 45 0B 2 -11,-3.4 -11,-1.1 -2,-0.6 2,-0.5 -0.887 20.6-135.8-107.1 140.9 2.0 -6.5 7.0 57 57 B R E -IJ 44 77B 52 20,-3.9 20,-2.8 -2,-0.4 2,-0.8 -0.852 27.5-139.1 -85.7 124.5 -1.1 -6.3 9.1 58 58 B Q E -IJ 43 76B 27 -15,-2.6 -15,-1.0 -2,-0.5 2,-0.7 -0.791 20.8-176.0 -99.0 108.2 -1.3 -2.7 10.4 59 59 B Y E -IJ 42 75B 7 16,-3.1 16,-3.1 -2,-0.8 3,-0.5 -0.877 11.1-157.1-101.1 113.0 -2.4 -2.2 14.0 60 60 B D E + 0 0 68 -2,-0.7 14,-0.1 -19,-0.5 -19,-0.1 -0.427 69.4 19.7 -78.1 156.6 -2.8 1.5 15.0 61 61 B Q E S+ 0 0 149 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.761 76.7 166.1 56.0 35.5 -2.6 2.6 18.7 62 62 B I E - J 0 73B 20 11,-1.5 11,-2.0 -3,-0.5 2,-0.6 -0.679 34.2-133.7 -82.7 132.3 -0.7 -0.4 20.2 63 63 B L E + J 0 72B 101 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.772 35.1 172.0 -83.6 121.5 0.7 0.1 23.6 64 64 B I E - J 0 71B 1 7,-2.6 7,-2.1 -2,-0.6 2,-0.6 -0.971 27.4-145.2-133.1 147.0 4.3 -1.3 23.7 65 65 B E E -EJ 14 70B 42 -51,-2.2 -51,-1.8 -2,-0.3 2,-0.9 -0.935 13.5-167.4-116.3 108.5 7.1 -1.2 26.2 66 66 B I E > S-EJ 13 69B 0 3,-2.1 3,-1.4 -2,-0.6 -53,-0.2 -0.835 70.9 -37.1 -99.7 99.9 10.6 -0.9 24.8 67 67 B C T 3 S- 0 0 55 -55,-1.6 -1,-0.2 -2,-0.9 -54,-0.1 0.638 126.1 -35.8 70.7 17.8 13.2 -1.6 27.4 68 68 B G T 3 S+ 0 0 53 1,-0.2 2,-0.5 -56,-0.1 -1,-0.3 0.218 117.1 103.0 121.5 -10.6 11.4 0.1 30.3 69 69 B H E < - J 0 66B 67 -3,-1.4 -3,-2.1 2,-0.0 -1,-0.2 -0.927 64.8-134.2-114.3 120.8 9.8 3.0 28.5 70 70 B K E + J 0 65B 146 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.395 30.1 168.6 -66.1 140.0 6.1 3.1 27.5 71 71 B A E - J 0 64B 5 -7,-2.1 -7,-2.6 -2,-0.1 2,-0.4 -0.981 22.3-149.0-150.2 145.2 5.2 4.2 23.9 72 72 B I E + J 0 63B 75 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.956 39.1 115.1-114.8 138.9 2.0 4.1 21.9 73 73 B G E - 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