==== 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 3GGX . COMPND 2 MOLECULE: V-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR V.S.STOLL . 792 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 542 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 283 35.7 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 . 24 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 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 . 113 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 8 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 8 7 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 . 8 10 12 0 0 9 7 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 0 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 A P 0 0 80 0, 0.0 198,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 159.0 21.4 -11.1 19.8 2 2 A Q E -A 198 0A 135 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.868 360.0-163.4 -98.3 137.4 18.7 -10.3 17.1 3 3 A I E -A 197 0A 29 194,-2.8 194,-2.6 -2,-0.4 2,-0.1 -0.974 4.3-155.6-128.7 116.6 15.2 -10.5 18.4 4 4 A T - 0 0 65 -2,-0.5 3,-0.1 192,-0.2 192,-0.1 -0.282 16.8-132.2 -78.7 175.4 12.2 -10.8 16.1 5 5 A L S S+ 0 0 1 190,-0.3 186,-0.2 1,-0.1 185,-0.1 0.163 73.2 110.4-121.4 13.8 8.8 -9.6 17.4 6 6 A W S S+ 0 0 145 185,-0.1 2,-0.3 184,-0.1 -1,-0.1 0.840 93.6 36.8 -60.1 -25.6 6.3 -12.4 16.6 7 7 A Q S S- 0 0 140 -3,-0.1 -1,-0.1 180,-0.0 0, 0.0 -0.921 108.9 -86.3-121.1 151.7 6.4 -12.7 20.4 8 8 A R - 0 0 139 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.317 48.5-116.4 -50.3 130.8 6.7 -10.1 23.2 9 9 A P + 0 0 5 0, 0.0 15,-2.0 0, 0.0 2,-0.5 -0.452 49.4 166.1 -79.3 73.7 10.4 -9.4 23.7 10 10 A L E +D 23 0B 63 -2,-2.1 2,-0.4 13,-0.2 13,-0.2 -0.765 10.0 178.2 -88.4 128.5 10.7 -10.7 27.2 11 11 A V E -D 22 0B 15 11,-2.7 11,-0.9 -2,-0.5 9,-0.1 -0.991 33.5 -97.9-137.8 142.2 14.3 -11.2 28.3 12 12 A T E +D 21 0B 84 -2,-0.4 55,-2.5 9,-0.2 2,-0.3 -0.282 41.6 179.1 -52.7 135.5 16.1 -12.3 31.5 13 13 A I E -DE 20 66B 2 7,-2.3 7,-2.0 53,-0.2 2,-0.4 -0.952 15.7-147.6-133.6 155.9 17.5 -9.4 33.6 14 14 A K E +DE 19 65B 90 51,-1.9 51,-2.6 -2,-0.3 2,-0.3 -0.990 19.9 169.9-125.8 133.1 19.3 -9.6 36.8 15 15 A I E > -D 18 0B 3 3,-2.2 3,-1.4 -2,-0.4 49,-0.1 -0.980 67.9 -4.4-146.0 130.4 19.1 -7.1 39.5 16 16 A G T 3 S- 0 0 74 47,-0.4 3,-0.1 -2,-0.3 -1,-0.1 0.845 133.1 -52.9 61.3 31.2 20.3 -7.1 43.2 17 17 A G T 3 S+ 0 0 58 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.658 116.5 118.6 78.8 18.6 21.4 -10.7 42.5 18 18 A Q E < -D 15 0B 106 -3,-1.4 -3,-2.2 2,-0.0 2,-0.4 -0.902 57.7-134.3-120.4 146.6 17.9 -11.7 41.3 19 19 A L E +D 14 0B 134 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.816 33.4 156.1 -97.0 137.7 16.4 -13.0 38.0 20 20 A K E -D 13 0B 51 -7,-2.0 -7,-2.3 -2,-0.4 2,-0.3 -0.919 40.7-110.3-145.9 162.8 13.3 -11.6 36.5 21 21 A E E -D 12 0B 127 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.747 38.6-178.8 -84.7 147.3 11.6 -11.3 33.1 22 22 A A E -D 11 0B 0 -11,-0.9 -11,-2.7 -2,-0.3 2,-0.5 -0.992 24.8-122.1-153.4 155.0 11.4 -7.8 31.6 23 23 A L E -Df 10 84B 13 60,-2.8 62,-2.6 -2,-0.3 2,-0.8 -0.767 16.0-138.6-100.4 118.5 10.1 -6.2 28.4 24 24 A L E - f 0 85B 0 -15,-2.0 2,-0.6 -2,-0.5 62,-0.2 -0.668 31.6-175.8 -74.8 115.2 12.3 -4.3 26.0 25 25 A D > + 0 0 15 60,-2.9 3,-1.9 -2,-0.8 62,-0.3 -0.820 25.5 179.2-128.2 92.7 10.1 -1.4 25.2 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.581 84.5 67.6 -68.6 -11.4 11.3 1.2 22.7 27 27 A G T 3 S+ 0 0 24 81,-0.1 2,-0.4 96,-0.1 -1,-0.3 0.261 89.8 82.4 -88.3 10.9 8.0 3.0 23.3 28 28 A A < - 0 0 16 -3,-1.9 59,-3.0 57,-0.2 60,-0.2 -0.970 58.6-162.3-126.8 129.6 9.1 3.8 26.8 29 29 A D S S+ 0 0 62 -2,-0.4 59,-1.4 57,-0.2 2,-0.2 0.902 80.0 28.0 -72.4 -42.8 11.4 6.7 28.0 30 30 A D S S- 0 0 56 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.502 83.3-107.3-113.6 178.3 12.2 5.3 31.4 31 31 A T - 0 0 0 43,-0.3 45,-4.1 54,-0.2 2,-0.4 -0.906 30.9-171.0-109.9 137.2 12.5 1.8 33.0 32 32 A V E -gH 76 84B 7 52,-2.1 52,-2.6 -2,-0.4 2,-0.3 -0.926 2.9-167.0-141.9 117.1 9.8 0.6 35.4 33 33 A L E -g 77 0B 0 43,-2.8 45,-2.2 -2,-0.4 47,-0.2 -0.676 32.9 -98.9 -99.4 148.2 9.9 -2.5 37.5 34 34 A E S S- 0 0 80 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.231 70.1 -62.9 -53.1 151.0 7.1 -4.2 39.5 35 35 A E S S+ 0 0 117 43,-0.5 2,-0.3 45,-0.2 -1,-0.2 -0.063 81.4 141.3 -41.1 130.2 7.1 -3.2 43.2 36 36 A M - 0 0 26 -3,-0.2 2,-0.4 2,-0.0 -3,-0.0 -0.946 51.8 -82.0-159.3 179.8 10.3 -4.5 44.8 37 37 A S + 0 0 90 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.812 45.4 169.3 -99.8 133.0 13.0 -3.6 47.3 38 38 A L - 0 0 27 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.998 27.0-125.6-144.3 141.6 16.0 -1.3 46.4 39 39 A P + 0 0 101 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.425 68.7 52.1 -80.2 155.8 18.8 0.5 48.2 40 40 A G S S- 0 0 63 -2,-0.1 2,-0.2 19,-0.1 -2,-0.1 -0.455 94.8 -67.2 110.7 176.1 19.5 4.3 48.0 41 41 A R - 0 0 225 -2,-0.2 19,-0.5 19,-0.1 2,-0.3 -0.558 52.9-155.6 -91.4 166.1 17.1 7.1 48.6 42 42 A W - 0 0 125 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.958 8.6-141.8-141.6 156.3 14.2 7.6 46.1 43 43 A K E -I 58 0B 125 15,-1.9 15,-2.9 -2,-0.3 2,-0.1 -0.971 26.8-113.7-124.4 140.0 11.9 10.4 44.9 44 44 A P E +I 57 0B 105 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.486 41.0 173.9 -71.5 141.2 8.2 10.1 44.1 45 45 A K E -I 56 0B 77 11,-2.5 11,-2.4 -2,-0.1 2,-0.5 -0.900 25.1-130.9-142.2 161.4 7.5 10.7 40.4 46 46 A M E -I 55 0B 125 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.979 23.7-178.5-124.4 120.9 4.3 10.3 38.3 47 47 A I E +I 54 0B 23 7,-2.2 7,-2.5 -2,-0.5 2,-0.3 -0.886 3.9 171.5-119.8 157.7 4.2 8.5 35.0 48 48 A G E +I 53 0B 34 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.978 10.7 151.4-161.4 141.4 1.4 7.9 32.6 49 49 A G E > S-I 52 0B 42 3,-1.2 3,-1.2 -2,-0.3 2,-0.7 -0.378 70.4 -1.3-140.3-128.2 0.9 6.5 29.2 50 50 A I T 3 S+ 0 0 29 1,-0.2 102,-0.9 -2,-0.2 99,-0.4 -0.518 131.8 15.0 -79.0 111.6 -2.2 4.9 27.8 51 51 A G T 3 S- 0 0 30 -2,-0.7 -1,-0.2 100,-0.2 2,-0.2 0.631 118.3 -61.5 107.6 16.6 -4.9 4.8 30.5 52 52 A G E < -I 49 0B 33 -3,-1.2 -3,-1.2 99,-0.2 99,-0.4 -0.678 63.9 -56.5 116.3-166.7 -3.8 7.2 33.2 53 53 A F E -I 48 0B 145 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.3 -0.815 32.2-162.8-120.9 155.1 -1.0 7.8 35.7 54 54 A I E -I 47 0B 24 -7,-2.5 -7,-2.2 -2,-0.3 2,-0.6 -0.971 26.7-116.2-136.3 155.2 0.6 5.8 38.5 55 55 A K E +I 46 0B 47 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.818 41.5 178.0 -93.4 117.8 2.8 7.0 41.4 56 56 A V E -I 45 0B 4 -11,-2.4 -11,-2.5 -2,-0.6 2,-0.5 -0.812 27.7-121.5-122.2 160.8 6.2 5.4 41.1 57 57 A R E -IJ 44 77B 44 20,-2.8 20,-2.2 -2,-0.3 2,-0.6 -0.900 25.4-141.3-107.8 127.3 9.4 5.7 43.2 58 58 A Q E -IJ 43 76B 35 -15,-2.9 -15,-1.9 -2,-0.5 2,-0.3 -0.805 17.6-176.2-101.3 122.5 12.5 6.8 41.4 59 59 A Y E - J 0 75B 5 16,-2.1 16,-2.2 -2,-0.6 2,-0.3 -0.890 14.8-144.9-109.2 144.1 16.0 5.4 42.1 60 60 A D E S+ 0 0 76 -19,-0.5 14,-0.2 -2,-0.3 -19,-0.1 -0.796 70.4 11.4-113.6 145.2 19.1 6.7 40.5 61 61 A Q E S+ 0 0 162 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.954 76.8 164.4 57.5 54.1 22.2 4.9 39.4 62 62 A I E - J 0 73B 20 11,-3.1 11,-2.3 -3,-0.3 2,-0.5 -0.880 31.8-134.1-100.1 137.7 20.9 1.4 39.7 63 63 A L E + J 0 72B 82 -2,-0.4 -47,-0.4 9,-0.2 2,-0.4 -0.790 26.8 175.9 -93.4 131.1 22.8 -1.4 38.0 64 64 A I E - J 0 71B 0 7,-3.0 7,-1.8 -2,-0.5 2,-0.8 -0.997 25.0-141.9-131.7 139.5 20.8 -4.0 36.0 65 65 A E E -EJ 14 70B 62 -51,-2.6 -51,-1.9 -2,-0.4 2,-0.6 -0.851 19.9-167.6-103.0 103.8 22.2 -6.8 33.9 66 66 A I E > S-EJ 13 69B 0 3,-2.0 3,-2.7 -2,-0.8 -53,-0.2 -0.823 73.9 -25.9 -92.8 119.6 20.0 -7.1 30.7 67 67 A C T 3 S- 0 0 49 -55,-2.5 -1,-0.2 -2,-0.6 -54,-0.1 0.850 128.7 -50.5 45.3 37.1 20.6 -10.3 28.8 68 68 A G T 3 S+ 0 0 50 -3,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.400 113.2 118.3 84.9 -0.3 24.1 -10.3 30.3 69 69 A H E < - 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