==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUN-07 2Z4O . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR Y.F.WANG,Y.TIE,P.I.BOROSS,J.TOZSER,A.K.GHOSH,R.W.HARRISON, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 36.9 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 . 25 12.6 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 4 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 0 PARALLEL BRIDGES PER LADDER . 2 2 3 0 0 2 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 1 A P 0 0 85 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 174.0 -0.4 38.5 18.0 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.979 360.0-163.0-108.6 118.2 -0.3 36.3 21.1 3 3 A I E -A 197 0A 34 194,-3.3 194,-2.4 -2,-0.5 2,-0.1 -0.896 4.8-149.1-108.7 119.5 0.6 32.8 20.0 4 4 A T - 0 0 70 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.309 13.4-132.3 -81.4 173.1 -0.0 29.9 22.3 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.157 73.5 109.7-119.5 20.6 2.2 26.9 22.3 6 6 A W S S+ 0 0 176 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.841 93.7 20.6 -58.7 -33.4 -0.3 24.1 22.2 7 7 A K S S- 0 0 162 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.804 111.0 -66.1-128.2 175.9 0.9 23.6 18.7 8 8 A R - 0 0 106 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.456 49.0-123.2 -61.2 132.8 4.0 24.5 16.7 9 9 A P + 0 0 4 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.523 47.6 169.5 -81.9 75.0 4.2 28.3 16.2 10 10 A L E +D 23 0B 88 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.653 7.3 175.7 -85.7 140.7 4.3 28.3 12.5 11 11 A V E -D 22 0B 17 11,-3.0 11,-2.8 -2,-0.3 2,-0.4 -0.948 32.8-102.8-140.0 164.9 3.9 31.4 10.5 12 12 A T E -D 21 0B 66 -2,-0.3 55,-2.4 9,-0.2 2,-0.3 -0.711 38.6-175.5 -87.5 134.7 4.0 32.5 6.9 13 13 A I E -DE 20 66B 1 7,-3.5 7,-2.3 -2,-0.4 2,-0.5 -0.908 20.4-143.5-122.8 156.2 7.1 34.3 5.7 14 14 A K E +DE 19 65B 98 51,-2.3 51,-2.3 -2,-0.3 2,-0.3 -0.992 31.6 158.7-119.0 124.1 8.2 35.9 2.5 15 15 A I E > -DE 18 64B 1 3,-2.4 3,-1.8 -2,-0.5 49,-0.1 -0.987 66.4 -2.6-145.6 128.7 11.8 35.5 1.6 16 16 A G T 3 S- 0 0 47 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.768 129.6 -57.8 63.9 25.7 13.5 35.8 -1.8 17 17 A G T 3 S+ 0 0 64 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.534 116.5 114.1 77.9 11.0 10.1 36.4 -3.4 18 18 A Q E < -D 15 0B 82 -3,-1.8 -3,-2.4 2,-0.0 2,-0.4 -0.916 63.4-133.5-116.3 140.8 8.8 33.1 -2.0 19 19 A L E +D 14 0B 125 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.829 35.6 167.1 -89.5 132.1 6.1 32.3 0.6 20 20 A K E -D 13 0B 27 -7,-2.3 -7,-3.5 -2,-0.4 2,-0.4 -0.935 35.8-120.9-139.5 159.2 7.2 29.7 3.1 21 21 A E E +D 12 0B 99 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.866 38.2 178.6 -96.4 136.1 6.0 28.4 6.4 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-3.0 -2,-0.4 2,-0.5 -0.973 28.4-116.1-144.6 155.4 8.5 28.7 9.2 23 23 A L E -Df 10 84B 5 60,-2.7 62,-3.0 -2,-0.3 2,-0.9 -0.790 21.8-132.3 -91.2 125.6 8.7 28.0 12.9 24 24 A L E - f 0 85B 1 -15,-2.8 2,-0.6 -2,-0.5 62,-0.1 -0.729 37.5-173.3 -76.5 109.1 9.1 30.9 15.4 25 25 A D > + 0 0 14 60,-2.8 3,-1.6 -2,-0.9 62,-0.3 -0.831 30.8 178.1-123.4 98.8 12.0 29.4 17.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.701 87.1 61.8 -67.9 -17.9 13.4 30.9 20.5 27 27 A G T 3 S+ 0 0 15 81,-0.1 2,-0.6 96,-0.1 -1,-0.3 0.482 89.2 85.7 -83.8 -4.6 15.8 28.0 20.9 28 28 A A < - 0 0 16 -3,-1.6 59,-3.3 57,-0.2 60,-0.2 -0.866 56.5-167.9-100.3 118.6 17.5 29.0 17.6 29 29 A D S S+ 0 0 51 -2,-0.6 59,-1.4 57,-0.2 2,-0.3 0.881 77.9 36.7 -64.9 -37.5 20.2 31.6 17.6 30 30 A D S S- 0 0 57 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.732 85.0-110.7-118.2 159.9 20.0 31.8 13.8 31 31 A T - 0 0 0 43,-0.5 45,-2.9 -2,-0.3 2,-0.5 -0.814 34.3-171.1 -91.0 127.4 17.4 31.7 11.1 32 32 A V E -gH 76 84B 5 52,-2.1 52,-3.1 -2,-0.5 2,-0.3 -0.987 3.3-175.4-131.5 120.5 17.7 28.6 8.9 33 33 A I E -g 77 0B 0 43,-2.9 45,-2.3 -2,-0.5 47,-0.2 -0.874 30.3-103.2-117.0 146.3 15.8 28.0 5.7 34 34 A E - 0 0 77 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.182 67.6 -56.1 -60.0 160.9 15.6 25.0 3.4 35 35 A E S S+ 0 0 108 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.085 79.3 134.8 -49.6 128.9 17.5 25.1 0.2 36 36 A M - 0 0 16 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.941 54.4 -95.7-161.4 162.5 16.6 28.0 -2.0 37 37 A S + 0 0 101 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.683 37.2 179.5 -84.4 140.5 18.4 30.6 -4.0 38 38 A L - 0 0 8 -2,-0.3 2,-0.1 2,-0.1 24,-0.0 -0.985 28.3-111.2-134.4 149.6 19.2 34.0 -2.5 39 39 A P S S+ 0 0 100 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.403 70.9 22.7 -78.4 157.8 21.0 36.9 -4.2 40 40 A G S S- 0 0 64 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.288 95.6 -23.1 91.5-169.8 24.4 38.2 -3.3 41 41 A R + 0 0 236 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.348 53.9 177.4 -80.7 155.2 27.4 36.8 -1.5 42 42 A W E -I 59 0B 131 17,-0.2 17,-0.2 -2,-0.1 15,-0.0 -0.974 13.4-156.0-147.5 165.4 27.5 34.0 0.9 43 43 A K E -I 58 0B 110 15,-1.5 15,-3.1 -2,-0.3 2,-0.1 -0.989 30.7 -98.5-141.8 152.4 30.0 32.0 2.9 44 44 A P E +I 57 0B 85 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.333 40.9 174.2 -74.5 152.8 29.9 28.5 4.3 45 45 A K E -I 56 0B 77 11,-2.2 11,-3.1 -2,-0.1 2,-0.4 -0.984 25.2-138.1-150.0 151.2 29.0 27.7 7.9 46 46 A M E -I 55 0B 115 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.977 21.7-175.1-111.2 132.3 28.4 24.7 10.1 47 47 A I E -I 54 0B 18 7,-2.2 7,-2.6 -2,-0.4 2,-0.3 -0.969 8.7-152.3-128.0 144.7 25.5 24.9 12.6 48 48 A G E +I 53 0B 41 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.870 24.6 142.5-125.3 148.5 24.8 22.2 15.2 49 49 A G E > -I 52 0B 22 3,-2.7 3,-2.0 -2,-0.3 2,-0.2 -0.662 63.3 -29.1-153.6-159.1 21.8 21.0 17.0 50 50 A I T 3 S+ 0 0 21 1,-0.3 101,-1.9 -2,-0.2 102,-0.6 -0.471 132.7 28.3 -66.1 137.6 20.3 17.7 18.2 51 51 A G T 3 S- 0 0 31 128,-0.4 2,-0.3 100,-0.2 -1,-0.3 0.355 123.8 -89.4 92.6 -14.2 21.5 15.1 15.8 52 52 A G E < -I 49 0B 27 -3,-2.0 -3,-2.7 100,-0.1 2,-0.3 -0.779 64.9 -25.8 110.5-157.1 24.8 17.0 15.0 53 53 A F E -I 48 0B 134 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.725 38.5-163.8-109.6 152.4 25.8 19.6 12.4 54 54 A I E -I 47 0B 19 -7,-2.6 -7,-2.2 -2,-0.3 2,-0.4 -0.954 25.3-118.7-124.9 151.5 24.8 20.6 9.0 55 55 A K E +I 46 0B 150 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.772 39.0 177.4 -86.7 134.0 26.6 22.7 6.4 56 56 A V E -I 45 0B 3 -11,-3.1 -11,-2.2 -2,-0.4 2,-0.5 -0.860 32.0-117.8-131.0 163.9 24.8 25.9 5.4 57 57 A R E -IJ 44 77B 50 20,-2.8 20,-2.4 -2,-0.3 2,-0.7 -0.930 28.7-142.8-101.6 127.7 25.3 28.9 3.2 58 58 A Q E -IJ 43 76B 30 -15,-3.1 -15,-1.5 -2,-0.5 2,-0.5 -0.861 18.9-177.2 -96.3 112.2 25.4 32.2 5.2 59 59 A Y E -IJ 42 75B 10 16,-2.6 16,-2.7 -2,-0.7 3,-0.3 -0.939 11.8-154.1-105.5 127.4 23.7 35.1 3.4 60 60 A D E + 0 0 69 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.633 66.8 22.6-100.2 161.8 23.8 38.5 5.2 61 61 A Q E S+ 0 0 161 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.917 77.2 159.9 52.8 51.2 21.4 41.5 4.9 62 62 A I E - J 0 73B 15 11,-2.8 11,-2.0 -3,-0.3 2,-0.4 -0.879 34.7-135.7-100.4 131.6 18.5 39.5 3.7 63 63 A I E + J 0 72B 112 -2,-0.5 -47,-0.5 9,-0.2 2,-0.4 -0.708 25.7 179.9 -88.8 136.1 15.1 41.0 4.1 64 64 A I E -EJ 15 71B 1 7,-3.2 7,-2.7 -2,-0.4 2,-0.5 -0.987 23.9-142.6-131.4 144.4 12.3 38.8 5.3 65 65 A E E -EJ 14 70B 76 -51,-2.3 -51,-2.3 -2,-0.4 2,-0.6 -0.969 20.9-167.6-104.2 118.8 8.6 39.4 6.0 66 66 A I E > S-EJ 13 69B 0 3,-3.6 3,-2.2 -2,-0.5 -53,-0.2 -0.967 71.2 -30.3-118.2 112.2 7.5 37.5 9.1 67 67 A A T 3 S- 0 0 39 -55,-2.4 -1,-0.2 -2,-0.6 -54,-0.1 0.835 130.0 -44.9 45.6 43.7 3.8 37.2 9.7 68 68 A G T 3 S+ 0 0 51 -56,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.457 117.5 116.0 84.6 2.4 3.6 40.6 7.9 69 69 A H E < - J 0 66B 73 -3,-2.2 -3,-3.6 2,-0.0 2,-0.3 -0.922 59.6-137.0-110.1 124.2 6.5 42.1 9.8 70 70 A K E + J 0 65B 171 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.2 -0.534 30.8 163.5 -80.0 136.5 9.6 43.2 7.8 71 71 A A E - J 0 64B 8 -7,-2.7 -7,-3.2 -2,-0.3 2,-0.4 -0.972 22.9-148.6-144.4 155.4 13.1 42.4 9.2 72 72 A I E + J 0 63B 83 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.985 39.4 103.2-127.3 144.1 16.6 42.2 7.8 73 73 A G E - 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