==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 31-OCT-07 3B7V . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 BH . AUTHOR A.Y.KOVALEVSKY,A.A.CHUMANEVICH,I.T.WEBER . 202 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 36.1 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 . 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 . 21 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.4 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,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 179.9 -0.4 38.7 18.0 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.977 360.0-159.3-108.1 124.2 -0.2 36.6 21.1 3 3 A I E -A 197 0A 31 194,-3.8 194,-2.3 -2,-0.5 2,-0.1 -0.879 2.7-150.8-112.0 121.3 0.7 33.0 20.1 4 4 A T - 0 0 74 -2,-0.6 3,-0.4 192,-0.2 192,-0.1 -0.466 13.7-132.8 -86.0 168.4 -0.2 30.2 22.4 5 5 A L S S+ 0 0 3 190,-0.5 186,-0.2 1,-0.2 -1,-0.1 0.115 75.2 106.4-116.4 23.5 2.0 27.2 22.4 6 6 A W S S+ 0 0 192 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.826 93.0 28.6 -64.7 -29.1 -0.5 24.4 22.3 7 7 A K S S- 0 0 169 -3,-0.4 0, 0.0 1,-0.0 0, 0.0 -0.771 109.4 -74.4-122.9 164.9 0.5 23.9 18.7 8 8 A R - 0 0 113 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.475 49.8-118.8 -59.8 131.8 3.7 24.6 16.8 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.529 48.5 169.8 -78.9 80.5 4.1 28.4 16.3 10 10 A L E +D 23 0B 67 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.784 6.0 173.4 -96.8 135.3 4.0 28.4 12.5 11 11 A V E -D 22 0B 21 11,-2.7 11,-2.6 -2,-0.4 2,-0.4 -0.894 33.6-103.2-134.5 163.1 3.7 31.6 10.5 12 12 A T E -D 21 0B 87 -2,-0.3 55,-2.6 9,-0.2 2,-0.3 -0.754 37.8-174.4 -88.9 136.3 3.9 32.6 6.9 13 13 A I E -DE 20 66B 1 7,-3.2 7,-2.4 -2,-0.4 2,-0.5 -0.880 18.6-145.0-123.2 156.7 7.0 34.4 5.8 14 14 A K E +DE 19 65B 91 51,-2.2 51,-2.6 -2,-0.3 2,-0.3 -0.996 30.2 158.5-123.0 124.2 8.0 36.0 2.5 15 15 A I E > -DE 18 64B 1 3,-2.2 3,-2.2 -2,-0.5 49,-0.1 -0.991 66.7 -0.0-146.3 134.1 11.7 35.6 1.5 16 16 A G T 3 S- 0 0 47 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.825 130.2 -59.5 56.3 30.9 13.3 36.0 -1.9 17 17 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.504 116.0 115.3 76.5 3.8 9.8 36.7 -3.3 18 18 A Q E < -D 15 0B 78 -3,-2.2 -3,-2.2 2,-0.0 2,-0.4 -0.844 62.9-132.6-108.6 139.7 8.6 33.4 -2.1 19 19 A L E +D 14 0B 128 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.790 35.3 166.5 -86.5 134.6 6.0 32.5 0.5 20 20 A K E -D 13 0B 30 -7,-2.4 -7,-3.2 -2,-0.4 2,-0.4 -0.943 35.8-118.6-139.1 160.3 7.0 29.8 3.0 21 21 A E E +D 12 0B 123 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.852 38.2 179.4 -93.6 136.2 5.8 28.4 6.4 22 22 A A E -D 11 0B 1 -11,-2.6 -11,-2.7 -2,-0.4 2,-0.4 -0.981 27.1-120.3-143.1 153.2 8.3 28.8 9.2 23 23 A L E -Df 10 84B 12 60,-2.9 62,-2.9 -2,-0.3 2,-0.8 -0.797 21.8-131.2 -90.5 126.1 8.6 28.0 12.9 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.4 62,-0.2 -0.766 35.0-173.7 -77.6 110.4 9.1 30.8 15.5 25 25 A D > + 0 0 7 60,-2.7 3,-1.7 -2,-0.8 62,-0.3 -0.869 26.5 178.9-123.6 94.3 12.0 29.3 17.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.668 86.1 62.4 -68.5 -14.3 13.3 31.0 20.6 27 27 A G T 3 S+ 0 0 6 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.486 88.6 87.9 -86.5 -2.2 15.8 28.1 21.0 28 28 A A < - 0 0 0 -3,-1.7 59,-3.0 174,-0.2 174,-0.2 -0.845 56.5-166.7-102.0 124.3 17.5 29.1 17.7 29 29 A D S S+ 0 0 24 172,-2.7 59,-1.1 -2,-0.5 2,-0.2 0.884 77.8 36.6 -66.7 -35.8 20.3 31.7 17.6 30 30 A D S S- 0 0 40 171,-0.3 2,-0.4 57,-0.2 57,-0.2 -0.713 82.5-112.2-122.2 159.3 20.0 31.9 13.8 31 31 A T - 0 0 0 43,-0.5 45,-2.5 -2,-0.2 2,-0.4 -0.859 33.0-172.5 -95.3 129.7 17.4 31.8 11.1 32 32 A V E -gH 76 84B 0 52,-1.9 52,-3.0 -2,-0.4 2,-0.3 -0.995 2.7-174.0-132.6 123.9 17.6 28.7 8.8 33 33 A I E -g 77 0B 0 43,-2.9 45,-2.3 -2,-0.4 47,-0.2 -0.882 31.0-101.4-118.2 146.2 15.6 28.2 5.6 34 34 A E - 0 0 80 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.130 68.1 -56.0 -57.2 161.3 15.4 25.1 3.3 35 35 A E S S+ 0 0 109 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.091 80.6 132.9 -51.3 129.3 17.3 25.2 0.1 36 36 A M - 0 0 16 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.946 55.6 -96.0-162.9 166.0 16.5 28.2 -2.1 37 37 A S - 0 0 92 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.788 36.7-178.5 -93.3 140.9 18.4 30.8 -4.0 38 38 A L - 0 0 17 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.954 29.3-105.8-130.4 153.0 19.1 34.2 -2.5 39 39 A P S S+ 0 0 99 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.456 72.5 16.8 -78.7 153.8 20.9 37.1 -4.1 40 40 A G S S- 0 0 65 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.205 95.5 -21.2 90.5-170.9 24.4 38.2 -3.3 41 41 A R - 0 0 232 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.327 54.5-179.9 -73.1 150.4 27.5 36.8 -1.6 42 42 A W E -I 59 0B 126 17,-0.2 17,-0.2 -2,-0.1 15,-0.0 -0.950 12.7-154.7-144.6 165.4 27.5 34.0 0.8 43 43 A K E -I 58 0B 114 15,-1.4 15,-3.0 -2,-0.3 2,-0.1 -0.987 30.6 -97.8-139.8 152.4 30.0 32.0 2.9 44 44 A P E +I 57 0B 84 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.396 41.6 174.5 -71.7 148.3 29.9 28.5 4.3 45 45 A K E -I 56 0B 75 11,-2.1 11,-3.0 -2,-0.1 2,-0.5 -0.982 24.5-138.9-146.7 148.9 28.9 27.8 7.9 46 46 A M E -I 55 0B 119 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.955 22.3-174.8-109.6 135.7 28.3 24.8 10.1 47 47 A I E -I 54 0B 6 7,-2.5 7,-2.6 -2,-0.5 2,-0.3 -0.966 5.2-161.6-130.8 148.0 25.3 24.8 12.5 48 48 A G E +I 53 0B 2 -2,-0.4 154,-2.9 5,-0.2 2,-0.3 -0.817 22.6 132.6-133.1 165.4 24.4 22.3 15.1 49 49 A G E > -I 52 0B 10 3,-1.9 3,-2.7 -2,-0.3 2,-0.1 -0.879 66.2 -10.0-175.5-159.4 21.7 21.0 17.3 50 50 A I T 3 S+ 0 0 9 152,-0.3 101,-2.0 1,-0.3 102,-0.6 -0.352 132.1 23.2 -60.1 132.1 20.1 17.8 18.3 51 51 A G T 3 S- 0 0 32 128,-0.4 2,-0.3 100,-0.2 -1,-0.3 0.355 121.6 -88.2 94.1 -10.3 21.4 15.2 16.0 52 52 A G E < -I 49 0B 27 -3,-2.7 -3,-1.9 100,-0.1 2,-0.3 -0.820 64.4 -28.3 114.6-154.6 24.6 17.0 15.1 53 53 A F E -I 48 0B 130 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.770 36.1-166.0-114.3 153.6 25.6 19.5 12.5 54 54 A I E -I 47 0B 22 -7,-2.6 -7,-2.5 -2,-0.3 2,-0.4 -0.944 26.3-117.4-128.9 154.4 24.7 20.5 9.0 55 55 A K E +I 46 0B 144 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.797 39.4 174.5 -90.5 132.2 26.5 22.7 6.4 56 56 A V E -I 45 0B 3 -11,-3.0 -11,-2.1 -2,-0.4 2,-0.5 -0.850 32.7-114.1-131.6 164.5 24.7 25.9 5.3 57 57 A R E -IJ 44 77B 50 20,-2.7 20,-2.3 -2,-0.3 2,-0.6 -0.918 28.1-143.5-100.9 129.6 25.2 29.0 3.2 58 58 A Q E -IJ 43 76B 27 -15,-3.0 -15,-1.4 -2,-0.5 2,-0.5 -0.853 18.0-177.4 -98.5 117.3 25.3 32.3 5.1 59 59 A Y E -IJ 42 75B 11 16,-2.6 16,-2.6 -2,-0.6 3,-0.3 -0.959 12.4-151.8-110.8 126.1 23.7 35.3 3.4 60 60 A D E + 0 0 68 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.626 67.3 21.6 -99.9 162.3 23.8 38.6 5.1 61 61 A Q E S+ 0 0 164 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.929 77.4 158.9 54.2 52.8 21.5 41.6 4.9 62 62 A I E - J 0 73B 15 11,-2.7 11,-2.0 -3,-0.3 2,-0.4 -0.889 34.3-136.6-102.1 135.5 18.5 39.7 3.7 63 63 A I E + J 0 72B 95 -2,-0.4 -47,-0.5 9,-0.2 2,-0.4 -0.753 25.0 177.9 -94.3 139.1 15.0 41.1 4.1 64 64 A I E -EJ 15 71B 0 7,-2.7 7,-2.2 -2,-0.4 2,-0.6 -0.999 24.7-140.7-137.7 138.8 12.2 38.8 5.3 65 65 A E E -EJ 14 70B 74 -51,-2.6 -51,-2.2 -2,-0.4 2,-0.6 -0.930 20.2-167.2 -97.4 122.5 8.6 39.5 6.0 66 66 A I E > S-EJ 13 69B 0 3,-3.4 3,-2.0 -2,-0.6 -53,-0.2 -0.960 71.7 -30.7-116.5 110.4 7.5 37.5 9.1 67 67 A A T 3 S- 0 0 41 -55,-2.6 -1,-0.2 -2,-0.6 -54,-0.1 0.862 129.4 -45.0 48.6 42.2 3.7 37.4 9.7 68 68 A G T 3 S+ 0 0 69 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.390 117.7 113.0 86.8 -1.8 3.5 40.8 8.0 69 69 A H E < - J 0 66B 74 -3,-2.0 -3,-3.4 2,-0.0 2,-0.3 -0.912 60.1-138.7-107.1 122.9 6.5 42.3 9.9 70 70 A K E + J 0 65B 147 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.549 28.5 166.5 -84.4 142.1 9.6 43.2 7.9 71 71 A A E - J 0 64B 8 -7,-2.2 -7,-2.7 -2,-0.3 2,-0.4 -0.973 21.3-147.8-145.6 157.0 13.0 42.5 9.3 72 72 A I E + J 0 63B 82 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.987 40.2 100.6-130.4 144.7 16.5 42.3 7.9 73 73 A G E - 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