==== 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 3VF7 . 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) . 10105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.1 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 . 13 6.6 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 2 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 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,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 170.8 20.7 5.1 33.1 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.985 360.0-160.0-116.1 115.2 20.3 3.7 29.6 3 3 A I E -A 197 0A 31 194,-3.2 194,-2.2 -2,-0.5 2,-0.1 -0.902 1.6-156.7-106.8 116.6 17.3 5.1 28.0 4 4 A T - 0 0 74 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.375 16.1-132.3 -81.6 169.5 15.6 3.4 25.1 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.127 73.7 107.3-119.7 21.5 13.5 5.3 22.7 6 6 A W S S+ 0 0 166 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.831 92.8 30.2 -68.6 -29.7 10.4 3.3 22.2 7 7 A K S S- 0 0 177 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.789 112.1 -76.5-117.3 165.0 8.6 6.0 24.3 8 8 A R - 0 0 138 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.434 47.3-117.1 -61.1 134.3 9.4 9.7 24.6 9 9 A P + 0 0 5 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.482 51.8 166.7 -79.2 72.3 12.5 10.2 26.8 10 10 A L E +D 23 0B 69 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.740 6.6 171.2 -90.2 135.8 10.7 12.2 29.5 11 11 A V E -D 22 0B 20 11,-2.8 11,-2.5 -2,-0.4 2,-0.4 -0.854 35.5-101.3-134.1 167.1 12.4 12.9 32.8 12 12 A T E -D 21 0B 82 -2,-0.3 55,-2.7 9,-0.2 56,-0.4 -0.795 36.9-173.1 -91.5 134.6 11.7 15.0 35.9 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.4 -2,-0.4 2,-0.4 -0.839 14.3-145.0-117.7 161.4 13.7 18.2 36.3 14 14 A K E +DE 19 65B 92 51,-2.2 51,-2.4 -2,-0.3 2,-0.3 -0.991 26.4 160.4-130.2 123.8 13.8 20.6 39.2 15 15 A I E > S+DE 18 64B 1 3,-2.3 3,-1.9 -2,-0.4 49,-0.1 -0.990 71.2 0.9-143.3 133.4 14.1 24.3 38.6 16 16 A G T 3 S- 0 0 62 47,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.793 129.8 -60.8 60.8 27.4 13.3 27.1 41.0 17 17 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.460 114.5 115.9 78.0 0.5 12.4 24.4 43.6 18 18 A Q E < -D 15 0B 94 -3,-1.9 -3,-2.3 0, 0.0 2,-0.4 -0.840 62.4-133.6-108.2 137.6 9.6 23.1 41.3 19 19 A L E +D 14 0B 124 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.715 33.1 168.5 -84.8 136.7 9.4 19.7 39.7 20 20 A K E -D 13 0B 46 -7,-2.4 -7,-3.0 -2,-0.4 2,-0.3 -0.936 34.1-112.3-139.6 160.6 8.6 19.6 36.0 21 21 A E E +D 12 0B 114 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.791 37.6 177.7 -92.8 142.8 8.6 17.1 33.2 22 22 A A E -Df 11 83B 0 -11,-2.5 -11,-2.8 -2,-0.3 2,-0.5 -0.980 26.3-124.2-146.7 155.4 11.0 17.6 30.3 23 23 A L E -Df 10 84B 12 60,-2.8 62,-3.0 -2,-0.3 2,-0.6 -0.857 21.8-129.9-101.3 127.1 12.1 15.8 27.1 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.5 -2,-0.5 62,-0.2 -0.715 34.7-174.0 -77.4 118.3 15.7 14.8 26.6 25 25 A D > + 0 0 16 60,-2.7 3,-1.8 -2,-0.6 62,-0.3 -0.853 26.6 179.3-130.6 95.1 16.3 16.2 23.1 26 26 A T T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 98,-0.1 0.721 86.8 62.3 -68.9 -16.6 19.5 15.6 21.2 27 27 A G T 3 S+ 0 0 20 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.396 88.7 86.1 -86.3 2.2 18.2 17.6 18.3 28 28 A A < - 0 0 11 -3,-1.8 59,-2.9 57,-0.2 60,-0.2 -0.909 56.4-166.8-105.2 126.7 18.0 20.8 20.5 29 29 A D S S+ 0 0 51 -2,-0.5 59,-1.1 57,-0.2 2,-0.3 0.823 78.2 37.6 -71.1 -35.1 21.1 23.0 20.8 30 30 A D S S- 0 0 35 57,-0.2 2,-0.6 56,-0.1 57,-0.2 -0.760 85.3-111.0-117.9 158.6 19.5 24.8 23.7 31 31 A T - 0 0 1 43,-0.5 45,-2.8 -2,-0.3 2,-0.5 -0.862 33.7-164.7 -94.8 122.1 17.2 24.1 26.7 32 32 A V E -gH 76 84B 4 52,-1.5 52,-2.9 -2,-0.6 2,-0.3 -0.954 5.9-171.8-119.8 121.6 13.8 25.6 26.2 33 33 A I E -g 77 0B 0 43,-2.9 45,-2.0 -2,-0.5 3,-0.2 -0.864 26.5-108.4-118.8 140.2 11.4 25.9 29.2 34 34 A E - 0 0 69 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.260 63.7 -62.3 -60.4 156.1 7.8 26.9 29.4 35 35 A E S S+ 0 0 123 43,-0.1 2,-0.3 45,-0.1 -1,-0.2 -0.099 78.1 138.8 -46.8 126.8 7.0 30.3 30.9 36 36 A M - 0 0 14 -3,-0.2 2,-0.6 2,-0.0 -3,-0.0 -0.964 55.9 -87.8-160.5 166.0 8.0 30.5 34.5 37 37 A S + 0 0 105 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.734 45.1 175.2 -86.0 123.3 9.7 32.9 36.9 38 38 A L - 0 0 17 -2,-0.6 2,-0.1 2,-0.1 24,-0.0 -0.942 28.9-108.0-123.0 152.1 13.5 32.8 36.9 39 39 A P S S+ 0 0 97 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.398 70.8 12.6 -78.5 157.3 15.9 35.1 38.8 40 40 A G S S- 0 0 68 -2,-0.1 2,-0.2 19,-0.1 -2,-0.1 -0.204 95.0 -33.1 85.0-170.2 18.2 37.7 37.4 41 41 A R - 0 0 225 19,-0.1 19,-0.5 -2,-0.0 2,-0.3 -0.576 50.6-153.5 -89.8 155.2 18.4 39.4 34.1 42 42 A W - 0 0 130 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.846 1.0-151.9-122.4 162.6 17.7 38.0 30.7 43 43 A K E -I 58 0B 106 15,-2.0 15,-3.1 -2,-0.3 2,-0.1 -0.901 29.5 -97.3-128.9 157.7 18.9 38.7 27.2 44 44 A P E +I 57 0B 107 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.467 39.2 172.8 -81.2 149.6 17.1 38.1 23.9 45 45 A K E -I 56 0B 69 11,-1.5 11,-2.8 -2,-0.1 2,-0.5 -0.984 22.5-146.2-150.5 146.7 17.5 35.2 21.6 46 46 A M E -I 55 0B 93 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.967 19.0-169.1-106.6 129.3 15.9 33.9 18.4 47 47 A I E -I 54 0B 16 7,-2.7 7,-2.3 -2,-0.5 2,-0.7 -0.961 12.6-143.4-124.5 142.7 15.6 30.2 18.0 48 48 A G E +I 53 0B 46 -2,-0.4 5,-0.3 5,-0.2 2,-0.1 -0.915 27.2 167.9-105.9 106.1 14.6 28.4 14.8 49 49 A G E > -I 52 0B 20 3,-2.4 3,-0.8 -2,-0.7 102,-0.1 -0.253 55.4 -70.8-104.5-162.9 12.5 25.3 15.2 50 50 A I T 3 S+ 0 0 31 1,-0.2 101,-0.2 -2,-0.1 3,-0.1 0.850 130.8 37.8 -62.2 -32.2 10.6 23.1 12.8 51 51 A G T 3 S- 0 0 28 99,-2.2 2,-0.3 1,-0.3 -1,-0.2 0.556 123.6 -72.2-100.9 -2.8 7.9 25.8 12.3 52 52 A G E < -I 49 0B 29 -3,-0.8 -3,-2.4 98,-0.6 -1,-0.3 -0.854 63.3 -44.5 139.6-180.0 9.9 29.0 12.3 53 53 A F E -I 48 0B 150 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.589 48.1-177.8 -87.0 146.2 11.8 31.4 14.4 54 54 A I E -I 47 0B 29 -7,-2.3 -7,-2.7 -2,-0.3 2,-0.4 -0.975 26.7-115.2-139.5 154.7 10.6 32.6 17.8 55 55 A K E +I 46 0B 169 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.762 36.3 178.0 -90.3 134.8 11.9 35.0 20.4 56 56 A V E -I 45 0B 5 -11,-2.8 -11,-1.5 -2,-0.4 2,-0.6 -0.871 32.1-111.3-131.5 165.5 12.8 33.6 23.8 57 57 A R E -IJ 44 77B 50 20,-2.3 20,-2.3 -2,-0.3 2,-0.6 -0.914 29.7-148.4-102.0 119.4 14.2 34.9 27.0 58 58 A Q E -IJ 43 76B 25 -15,-3.1 -15,-2.0 -2,-0.6 2,-0.5 -0.785 15.2-176.4 -97.3 117.9 17.8 33.7 27.7 59 59 A Y E - J 0 75B 15 16,-3.0 16,-2.7 -2,-0.6 3,-0.3 -0.972 13.0-151.1-112.8 125.8 18.7 33.3 31.4 60 60 A D E + 0 0 73 -2,-0.5 14,-0.2 -19,-0.5 13,-0.1 -0.627 65.8 16.6-100.2 155.1 22.3 32.3 32.2 61 61 A Q E S+ 0 0 166 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.862 76.8 166.0 56.8 46.3 23.8 30.3 35.1 62 62 A I E - J 0 73B 12 11,-2.4 11,-2.2 -3,-0.3 2,-0.4 -0.759 37.1-124.7 -92.4 133.1 20.5 28.8 36.2 63 63 A I E + J 0 72B 128 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.672 40.5 166.2 -80.9 127.5 20.6 25.9 38.6 64 64 A I E -EJ 15 71B 2 7,-2.5 7,-2.3 -2,-0.4 2,-0.4 -0.989 28.2-148.8-147.2 134.7 18.7 22.9 37.3 65 65 A E E -EJ 14 70B 52 -51,-2.4 -51,-2.2 -2,-0.3 2,-0.5 -0.924 14.8-166.1-105.5 135.2 18.5 19.2 38.3 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-2.2 -2,-0.4 -53,-0.2 -0.971 72.7 -26.9-125.6 112.8 17.9 16.8 35.4 67 67 A A T 3 S- 0 0 41 -55,-2.7 -54,-0.1 -2,-0.5 -1,-0.1 0.872 128.9 -48.5 49.9 36.8 16.9 13.2 36.3 68 68 A G T 3 S+ 0 0 49 -56,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.482 115.2 118.8 82.9 4.1 18.8 13.7 39.6 69 69 A H E < - 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