==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-NOV-09 3KT2 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1; . AUTHOR S.C.BIHANI,A.DAS,V.PRASHAR,J.L.FERRER,M.V.HOSUR . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 66.2 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 . 24 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.1 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 87 0, 0.0 198,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 145.3 -27.8 30.6 25.7 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.4 197,-0.2 196,-0.2 -0.870 360.0-161.5-103.6 148.1 -25.4 31.3 28.5 3 3 A V E -A 197 0A 37 194,-2.4 194,-2.9 -2,-0.4 2,-0.1 -0.991 5.5-154.4-133.7 122.6 -24.0 28.3 30.4 4 4 A T - 0 0 76 -2,-0.4 3,-0.2 192,-0.2 192,-0.1 -0.401 20.4-128.0 -85.4 175.5 -22.4 28.2 33.8 5 5 A L S S+ 0 0 0 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.125 74.7 108.8-121.2 21.8 -20.0 25.5 34.7 6 6 A W S S+ 0 0 168 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.713 93.3 29.8 -67.8 -21.1 -21.2 24.0 38.0 7 7 A Q S S- 0 0 151 -3,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.912 111.0 -76.7-129.6 161.4 -22.2 21.0 35.9 8 8 A R - 0 0 112 -2,-0.3 2,-1.8 1,-0.1 119,-0.1 -0.363 47.8-119.9 -57.0 133.0 -20.7 19.5 32.8 9 9 A P + 0 0 4 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.553 46.7 173.0 -79.1 84.7 -21.8 21.7 29.8 10 10 A L E -D 23 0B 76 -2,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.645 9.2-178.3 -93.7 150.6 -23.6 19.0 27.8 11 11 A V E -D 22 0B 15 11,-2.4 11,-2.6 -2,-0.3 2,-0.4 -0.963 28.8-111.9-141.6 157.9 -25.6 19.6 24.6 12 12 A T E -D 21 0B 82 -2,-0.3 55,-2.4 9,-0.2 2,-0.3 -0.775 36.7-173.7 -90.4 134.8 -27.7 17.5 22.2 13 13 A I E -DE 20 66B 1 7,-3.4 7,-2.4 -2,-0.4 2,-0.5 -0.900 19.3-146.8-125.1 155.6 -26.3 17.1 18.8 14 14 A K E +DE 19 65B 106 51,-2.2 51,-2.4 -2,-0.3 2,-0.3 -0.990 30.9 156.6-121.5 122.6 -27.6 15.6 15.6 15 15 A I E > +DE 18 64B 2 3,-2.3 3,-2.0 -2,-0.5 49,-0.1 -0.994 64.2 2.0-146.7 136.3 -25.0 13.9 13.4 16 16 A G T 3 S- 0 0 36 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.799 128.9 -59.6 57.4 31.1 -25.3 11.2 10.7 17 17 A G T 3 S+ 0 0 66 1,-0.3 2,-0.3 21,-0.0 -1,-0.3 0.513 117.0 108.9 77.6 7.0 -29.0 11.1 11.3 18 18 A Q E < -D 15 0B 66 -3,-2.0 -3,-2.3 19,-0.1 2,-0.4 -0.820 65.2-128.0-119.7 153.1 -28.5 10.2 14.9 19 19 A L E +D 14 0B 132 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.850 35.3 163.5-102.6 135.4 -29.1 12.0 18.2 20 20 A K E -D 13 0B 49 -7,-2.4 -7,-3.4 -2,-0.4 2,-0.4 -0.962 34.6-122.7-146.6 158.7 -26.2 12.2 20.8 21 21 A E E -D 12 0B 110 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.876 34.6-178.8-103.5 139.0 -25.1 14.1 23.9 22 22 A A E -D 11 0B 1 -11,-2.6 -11,-2.4 -2,-0.4 2,-0.5 -0.972 27.0-116.2-142.2 155.6 -21.8 15.8 23.8 23 23 A L E -Df 10 84B 7 60,-3.0 62,-3.3 -2,-0.3 2,-0.7 -0.784 22.7-131.6 -95.1 122.6 -19.6 17.9 26.0 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.5 62,-0.1 -0.652 36.0-173.2 -69.4 111.4 -18.7 21.5 25.0 25 25 A D > + 0 0 14 60,-2.7 3,-1.9 -2,-0.7 62,-0.3 -0.833 27.4 179.3-125.7 93.9 -15.0 21.3 25.5 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.684 86.2 62.9 -66.3 -15.3 -12.9 24.4 25.2 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.403 88.3 86.0 -88.3 1.4 -9.8 22.3 26.0 28 28 A A < - 0 0 11 -3,-1.9 59,-3.1 57,-0.2 60,-0.2 -0.909 55.7-166.5-109.1 125.6 -10.2 20.2 22.9 29 29 A D S S+ 0 0 51 -2,-0.5 59,-1.4 57,-0.2 2,-0.3 0.903 79.2 36.1 -68.0 -41.0 -8.8 21.3 19.6 30 30 A D S S- 0 0 58 57,-0.2 2,-0.4 56,-0.1 57,-0.1 -0.784 83.7-112.4-120.5 154.5 -10.9 18.7 17.7 31 31 A T - 0 0 0 43,-0.4 45,-2.3 -2,-0.3 2,-0.4 -0.721 36.6-176.1 -86.9 130.2 -14.3 17.2 18.0 32 32 A V E -gH 76 84B 4 52,-1.9 52,-3.2 -2,-0.4 2,-0.3 -0.990 4.3-169.3-135.2 125.9 -14.2 13.5 18.9 33 33 A L E -g 77 0B 0 43,-3.2 45,-2.5 -2,-0.4 47,-0.2 -0.843 28.4-104.5-116.6 149.3 -17.2 11.1 19.2 34 34 A E - 0 0 89 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.187 69.4 -58.0 -57.9 161.2 -17.6 7.6 20.6 35 35 A E S S+ 0 0 114 43,-0.3 2,-0.3 45,-0.2 -1,-0.2 -0.136 78.1 148.2 -48.1 131.4 -17.8 4.8 18.0 36 36 A M - 0 0 12 -3,-0.2 2,-0.6 2,-0.0 -3,-0.1 -0.977 50.2 -91.5-160.6 163.7 -20.8 5.4 15.6 37 37 A S + 0 0 90 -2,-0.3 -19,-0.1 -21,-0.1 -2,-0.0 -0.742 45.2 171.1 -86.7 120.2 -21.9 4.9 12.1 38 38 A L - 0 0 15 -2,-0.6 2,-0.2 2,-0.1 -2,-0.0 -0.951 34.2-104.1-127.0 151.6 -21.1 7.7 9.7 39 39 A P - 0 0 94 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.511 69.5 -8.1 -73.5 133.2 -21.4 7.9 5.9 40 40 A G S S- 0 0 63 -2,-0.2 -2,-0.1 19,-0.1 2,-0.1 -0.283 89.7 -8.0 102.7-165.9 -18.4 7.6 3.6 41 41 A R - 0 0 225 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.387 53.0-179.0 -80.4 151.5 -14.7 7.5 3.4 42 42 A W - 0 0 116 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.916 20.3-132.4-143.2 169.5 -12.3 8.2 6.3 43 43 A K E -I 58 0B 125 15,-1.7 15,-3.1 -2,-0.3 2,-0.1 -0.981 28.1-113.7-126.0 137.2 -8.6 8.4 7.2 44 44 A P E +I 57 0B 98 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.467 43.9 172.6 -67.8 144.5 -6.9 6.7 10.1 45 45 A K E -I 56 0B 64 11,-2.3 11,-3.8 -2,-0.1 2,-0.5 -0.997 27.4-140.8-154.5 145.6 -5.5 9.2 12.7 46 46 A M E -I 55 0B 111 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.949 20.1-175.9-112.5 132.8 -3.9 9.2 16.1 47 47 A I E -I 54 0B 19 7,-2.4 7,-2.5 -2,-0.5 2,-0.2 -0.950 12.1-141.5-125.8 149.8 -4.8 11.9 18.7 48 48 A G E +I 53 0B 61 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.648 29.8 135.3-110.8 164.1 -3.3 12.4 22.1 49 49 A G E > -I 52 0B 21 3,-1.5 3,-1.9 -2,-0.2 2,-0.2 -0.934 62.2 -27.8-173.6-168.2 -4.6 13.4 25.5 50 50 A I T 3 S+ 0 0 33 -2,-0.3 101,-2.0 1,-0.2 102,-0.6 -0.485 130.9 25.0 -59.4 129.6 -4.4 12.6 29.2 51 51 A G T 3 S- 0 0 27 128,-0.4 2,-0.3 100,-0.2 102,-0.3 0.204 125.1 -84.7 98.1 -15.9 -3.6 9.0 29.5 52 52 A G E < -I 49 0B 32 -3,-1.9 -3,-1.5 100,-0.2 99,-0.3 -0.897 67.6 -27.5 121.4-147.0 -1.9 8.9 26.0 53 53 A F E -I 48 0B 134 -2,-0.3 2,-0.3 98,-0.3 -5,-0.2 -0.740 39.6-163.9-115.9 155.3 -3.1 8.4 22.5 54 54 A I E -I 47 0B 16 -7,-2.5 -7,-2.4 -2,-0.3 2,-0.5 -0.964 23.9-119.5-131.8 152.4 -6.0 6.7 20.7 55 55 A K E +I 46 0B 151 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.799 38.3 178.2 -89.9 133.4 -6.5 5.8 17.1 56 56 A V E -I 45 0B 5 -11,-3.8 -11,-2.3 -2,-0.5 2,-0.5 -0.888 31.5-118.5-130.2 158.2 -9.5 7.4 15.5 57 57 A R E -IJ 44 77B 46 20,-2.8 20,-2.2 -2,-0.3 2,-0.7 -0.889 29.3-143.3 -94.1 128.8 -11.2 7.5 12.1 58 58 A Q E -IJ 43 76B 41 -15,-3.1 -15,-1.7 -2,-0.5 2,-0.4 -0.847 16.2-172.2 -96.5 118.1 -11.2 11.0 10.6 59 59 A Y E - J 0 75B 11 16,-2.7 16,-2.9 -2,-0.7 3,-0.3 -0.918 10.1-153.2-105.2 133.0 -14.3 12.0 8.6 60 60 A D E + 0 0 68 -2,-0.4 14,-0.2 -19,-0.4 -19,-0.0 -0.630 68.0 18.1-103.9 158.2 -14.3 15.2 6.7 61 61 A Q E S+ 0 0 171 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.844 78.5 163.9 54.5 41.9 -17.2 17.5 5.7 62 62 A I E - J 0 73B 15 11,-2.7 11,-1.7 -3,-0.3 2,-0.4 -0.810 36.0-128.6 -93.0 129.9 -19.7 16.0 8.2 63 63 A L E - J 0 72B 86 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.630 30.3-178.4 -77.6 129.8 -22.8 18.0 9.0 64 64 A I E -EJ 15 71B 0 7,-3.3 7,-2.2 -2,-0.4 2,-0.6 -0.995 18.5-158.7-131.7 133.6 -23.4 18.5 12.7 65 65 A E E -EJ 14 70B 55 -51,-2.4 -51,-2.2 -2,-0.4 2,-0.5 -0.950 15.0-171.4-110.5 113.3 -26.3 20.3 14.4 66 66 A I E > S-EJ 13 69B 0 3,-3.0 3,-2.4 -2,-0.6 -53,-0.2 -0.922 73.1 -22.9-112.4 120.9 -25.3 21.4 17.9 67 67 A C T 3 S- 0 0 66 -55,-2.4 -1,-0.2 -2,-0.5 -54,-0.1 0.710 129.8 -53.5 49.5 21.7 -28.0 22.7 20.2 68 68 A G T 3 S+ 0 0 59 1,-0.4 2,-0.4 -56,-0.3 -1,-0.3 0.592 114.6 116.0 90.7 13.1 -29.8 23.4 16.9 69 69 A H E < - J 0 66B 72 -3,-2.4 -3,-3.0 2,-0.0 -1,-0.4 -0.933 60.7-130.9-106.8 139.3 -27.0 25.4 15.2 70 70 A K E + J 0 65B 139 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.624 30.5 165.4 -92.8 149.9 -25.5 23.8 12.1 71 71 A A E - J 0 64B 5 -7,-2.2 -7,-3.3 -2,-0.2 2,-0.4 -0.977 21.8-149.6-153.4 153.4 -21.8 23.4 11.3 72 72 A I E + J 0 63B 99 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.998 41.9 107.5-127.6 131.1 -19.8 21.4 8.9 73 73 A G E - J 0 62B 17 -11,-1.7 -11,-2.7 -2,-0.4 2,-0.3 -0.946 65.1 -45.6-172.1-166.6 -16.3 20.1 9.6 74 74 A T E - 0 0 46 -2,-0.3 -43,-0.4 -13,-0.2 2,-0.4 -0.644 46.0-166.1 -84.4 139.2 -14.1 17.2 10.4 75 75 A V E - J 0 59B 0 -16,-2.9 -16,-2.7 -2,-0.3 2,-0.4 -0.993 8.2-149.9-129.1 130.8 -15.2 14.7 13.0 76 76 A L E -gJ 32 58B 2 -45,-2.3 -43,-3.2 -2,-0.4 2,-0.4 -0.811 11.4-163.5 -98.9 140.2 -13.0 12.1 14.7 77 77 A V E +gJ 33 57B 1 -20,-2.2 -20,-2.8 -2,-0.4 -43,-0.2 -0.982 34.3 90.2-127.7 129.9 -14.6 8.8 15.8 78 78 A G S S- 0 0 3 -45,-2.5 2,-2.4 -2,-0.4 -43,-0.3 -0.981 78.5 -26.6 174.5-166.2 -13.0 6.4 18.2 79 79 A P S S+ 0 0 88 0, 0.0 -45,-0.1 0, 0.0 -23,-0.1 -0.256 71.2 142.3 -75.5 51.7 -12.4 5.1 21.8 80 80 A T - 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