==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-JAN-12 3VF5 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (B . AUTHOR X.X.YU,Y.F.WANG,Y.C.E.CHANG,I.T.WEBER . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.6 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 . 21 10.6 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 3 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 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 88 0, 0.0 198,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 167.9 -29.6 -3.9 18.2 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.981 360.0-161.8-112.4 120.8 -29.4 -6.4 21.2 3 3 A I E -A 197 0A 34 194,-3.6 194,-2.4 -2,-0.5 2,-0.1 -0.915 5.4-148.2-110.4 119.8 -28.5 -9.9 20.0 4 4 A T - 0 0 71 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.303 11.8-132.8 -83.7 171.2 -29.2 -12.8 22.2 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.166 75.7 105.3-115.1 15.5 -27.0 -15.8 22.3 6 6 A W S S+ 0 0 185 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.823 94.7 26.8 -61.4 -29.9 -29.5 -18.6 22.2 7 7 A K S S- 0 0 165 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.799 110.9 -73.4-123.9 163.3 -28.5 -19.0 18.5 8 8 A R - 0 0 122 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.376 49.7-119.2 -56.7 135.4 -25.3 -18.3 16.7 9 9 A P + 0 0 4 0, 0.0 15,-2.5 0, 0.0 2,-0.3 -0.477 48.9 169.6 -83.1 74.0 -25.0 -14.4 16.3 10 10 A L E +D 23 0B 85 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.720 7.2 176.1 -88.5 137.2 -25.0 -14.4 12.5 11 11 A V E -D 22 0B 17 11,-2.6 11,-2.6 -2,-0.3 2,-0.4 -0.908 33.9-103.4-134.0 160.9 -25.3 -11.2 10.5 12 12 A T E -D 21 0B 69 -2,-0.3 55,-2.8 9,-0.2 2,-0.3 -0.705 40.4-176.9 -82.7 133.8 -25.2 -10.1 6.9 13 13 A I E -DE 20 66B 1 7,-2.9 7,-2.3 -2,-0.4 2,-0.4 -0.893 19.3-144.9-122.8 158.8 -22.0 -8.4 5.8 14 14 A K E +DE 19 65B 97 51,-2.3 51,-2.3 -2,-0.3 2,-0.4 -0.993 28.8 159.8-126.2 123.8 -20.9 -6.9 2.5 15 15 A I E > -DE 18 64B 1 3,-2.5 3,-2.1 -2,-0.4 49,-0.1 -0.992 66.0 -1.7-146.1 132.8 -17.2 -7.2 1.5 16 16 A G T 3 S- 0 0 45 47,-0.5 3,-0.1 -2,-0.4 21,-0.1 0.786 130.3 -56.5 58.7 31.5 -15.6 -6.9 -1.8 17 17 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.496 116.3 113.9 79.6 4.9 -19.0 -6.3 -3.4 18 18 A Q E < -D 15 0B 83 -3,-2.1 -3,-2.5 2,-0.0 2,-0.4 -0.938 61.6-136.8-117.8 133.6 -20.3 -9.6 -2.0 19 19 A L E +D 14 0B 132 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.740 36.1 163.9 -86.5 135.4 -23.0 -10.2 0.5 20 20 A K E -D 13 0B 42 -7,-2.3 -7,-2.9 -2,-0.4 2,-0.4 -0.925 37.7-114.8-142.2 161.4 -22.1 -13.0 3.0 21 21 A E E +D 12 0B 104 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.862 39.1 176.6 -99.8 139.2 -23.2 -14.3 6.4 22 22 A A E -D 11 0B 0 -11,-2.6 -11,-2.6 -2,-0.4 2,-0.4 -0.987 28.7-115.6-145.7 154.2 -20.7 -14.0 9.2 23 23 A L E -Df 10 84B 7 60,-2.7 62,-3.1 -2,-0.3 2,-0.8 -0.745 21.0-132.0 -89.9 128.2 -20.5 -14.7 12.9 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.4 62,-0.1 -0.753 37.4-173.2 -77.6 108.3 -20.0 -11.8 15.5 25 25 A D > + 0 0 14 60,-2.7 3,-1.6 -2,-0.8 62,-0.3 -0.842 29.9 178.7-124.1 100.6 -17.1 -13.4 17.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.703 86.6 61.8 -70.7 -16.5 -15.8 -11.9 20.6 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.421 88.5 84.8 -87.3 0.6 -13.3 -14.8 20.9 28 28 A A < - 0 0 17 -3,-1.6 59,-3.1 57,-0.2 60,-0.2 -0.911 58.3-164.3-107.3 122.3 -11.6 -13.9 17.6 29 29 A D S S+ 0 0 55 -2,-0.5 59,-1.3 57,-0.2 2,-0.3 0.890 78.1 30.9 -64.0 -39.8 -8.8 -11.2 17.6 30 30 A D S S- 0 0 54 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.780 86.4-104.6-122.6 160.8 -9.0 -10.9 13.9 31 31 A T E -g 75 0B 0 43,-0.5 45,-2.7 -2,-0.3 2,-0.4 -0.759 34.0-170.6 -88.4 128.3 -11.6 -11.1 11.1 32 32 A V E -gH 76 84B 8 52,-1.9 52,-3.0 -2,-0.4 2,-0.3 -0.990 2.5-174.0-131.0 119.7 -11.3 -14.3 8.9 33 33 A I E -g 77 0B 0 43,-3.0 45,-2.2 -2,-0.4 47,-0.2 -0.888 31.6-101.5-117.4 144.5 -13.3 -14.7 5.7 34 34 A E - 0 0 75 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.177 66.9 -60.7 -59.7 158.1 -13.6 -17.8 3.4 35 35 A E S S+ 0 0 128 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.106 78.4 134.6 -53.7 128.5 -11.5 -17.7 0.3 36 36 A M - 0 0 18 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.934 55.5 -92.5-162.2 163.3 -12.4 -14.9 -2.1 37 37 A S + 0 0 96 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.696 39.1 177.4 -83.0 139.3 -10.6 -12.2 -4.1 38 38 A L - 0 0 10 -2,-0.3 2,-0.1 2,-0.1 24,-0.0 -0.974 29.7-108.8-133.1 152.2 -9.9 -8.8 -2.6 39 39 A P S S+ 0 0 101 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.399 70.8 23.8 -80.0 158.5 -8.0 -5.9 -4.2 40 40 A G S S- 0 0 65 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.310 95.7 -22.7 92.6-169.9 -4.5 -4.7 -3.3 41 41 A R - 0 0 239 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.382 54.8-178.7 -78.2 153.0 -1.5 -6.1 -1.6 42 42 A W E -I 59 0B 136 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.972 12.0-156.6-142.4 163.9 -1.5 -9.0 0.8 43 43 A K E -I 58 0B 110 15,-1.7 15,-3.1 -2,-0.3 2,-0.1 -0.983 29.6-100.9-139.1 152.2 0.9 -11.0 3.0 44 44 A P E +I 57 0B 90 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.384 41.7 170.1 -76.0 151.3 0.8 -14.5 4.3 45 45 A K E -I 56 0B 73 11,-1.9 11,-2.9 -2,-0.1 2,-0.4 -0.972 26.8-134.9-149.8 154.1 -0.1 -15.2 7.9 46 46 A M E -I 55 0B 112 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.966 19.6-169.7-109.9 135.2 -0.9 -18.3 10.1 47 47 A V E -I 54 0B 22 7,-2.4 7,-2.4 -2,-0.4 2,-0.4 -0.976 7.4-157.6-129.3 139.6 -3.8 -18.2 12.5 48 48 A G E +I 53 0B 41 -2,-0.4 5,-0.2 5,-0.3 2,-0.2 -0.875 24.8 132.9-122.3 148.7 -4.5 -20.7 15.1 49 49 A G E > -I 52 0B 22 3,-2.4 3,-2.2 -2,-0.4 2,-0.1 -0.764 64.9 -18.3-158.6-158.1 -7.4 -22.0 17.1 50 50 A I T 3 S+ 0 0 17 1,-0.3 101,-2.2 -2,-0.2 102,-0.6 -0.408 132.0 23.5 -58.9 134.1 -9.0 -25.3 18.2 51 51 A G T 3 S- 0 0 31 128,-0.4 2,-0.3 100,-0.2 -1,-0.3 0.317 123.3 -86.2 91.1 -10.5 -7.6 -28.0 15.8 52 52 A G E < -I 49 0B 26 -3,-2.2 -3,-2.4 100,-0.1 2,-0.3 -0.828 65.5 -29.4 114.0-155.8 -4.5 -26.1 14.9 53 53 A F E -I 48 0B 132 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.739 35.8-160.8-110.8 154.4 -3.5 -23.4 12.3 54 54 A I E -I 47 0B 20 -7,-2.4 -7,-2.4 -2,-0.3 2,-0.4 -0.959 25.0-120.4-124.5 151.9 -4.6 -22.4 8.9 55 55 A K E +I 46 0B 149 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.766 39.2 176.3 -89.5 134.5 -2.6 -20.3 6.4 56 56 A V E -I 45 0B 4 -11,-2.9 -11,-1.9 -2,-0.4 2,-0.5 -0.848 32.2-116.4-131.6 164.8 -4.4 -17.1 5.4 57 57 A R E -IJ 44 77B 58 20,-2.6 20,-2.6 -2,-0.3 2,-0.6 -0.941 27.7-143.8-100.5 127.0 -3.8 -13.9 3.2 58 58 A Q E -IJ 43 76B 32 -15,-3.1 -15,-1.7 -2,-0.5 2,-0.5 -0.855 17.7-175.6 -98.7 115.8 -3.7 -10.7 5.2 59 59 A Y E -IJ 42 75B 9 16,-2.7 16,-2.8 -2,-0.6 3,-0.3 -0.955 12.3-150.3-108.6 127.2 -5.3 -7.7 3.4 60 60 A D E + 0 0 72 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.625 68.0 20.3 -97.8 158.5 -5.1 -4.3 5.1 61 61 A Q E S+ 0 0 162 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.913 76.9 160.9 55.7 53.1 -7.5 -1.4 4.9 62 62 A I E - J 0 73B 17 11,-2.7 11,-1.8 -3,-0.3 2,-0.4 -0.886 34.9-134.6-106.3 131.1 -10.5 -3.3 3.6 63 63 A I E + J 0 72B 106 -2,-0.5 -47,-0.5 9,-0.2 2,-0.4 -0.688 25.9 179.7 -89.6 129.4 -14.0 -1.8 4.0 64 64 A I E -EJ 15 71B 0 7,-3.2 7,-1.3 -2,-0.4 2,-0.5 -0.979 22.0-145.5-131.6 126.7 -16.7 -4.1 5.3 65 65 A E E -EJ 14 70B 84 -51,-2.3 -51,-2.3 -2,-0.4 2,-0.5 -0.809 20.7-167.0 -91.1 124.6 -20.4 -3.3 6.0 66 66 A I E > -EJ 13 69B 0 3,-3.0 3,-1.4 -2,-0.5 -53,-0.2 -0.965 69.8 -27.3-119.5 110.7 -21.5 -5.2 9.1 67 67 A A T 3 S- 0 0 39 -55,-2.8 -1,-0.2 -2,-0.5 -54,-0.1 0.876 129.7 -47.5 49.6 40.4 -25.2 -5.4 9.7 68 68 A G T 3 S+ 0 0 55 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.578 116.7 115.6 77.7 12.2 -25.4 -2.0 7.9 69 69 A H E < - J 0 66B 70 -3,-1.4 -3,-3.0 2,-0.0 2,-0.3 -0.961 61.7-133.0-113.1 124.0 -22.5 -0.4 9.8 70 70 A K E + J 0 65B 167 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.551 32.1 166.7 -80.0 141.6 -19.4 0.6 7.8 71 71 A A E - J 0 64B 9 -7,-1.3 -7,-3.2 -2,-0.3 2,-0.4 -0.985 19.8-152.4-149.4 144.2 -16.0 -0.5 9.3 72 72 A I E + J 0 63B 87 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.954 37.9 102.6-120.3 142.7 -12.4 -0.6 7.8 73 73 A G E - 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