==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-SEP-08 3EKV . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_ARV2/SF2; . AUTHOR C.A.SCHIFFER,M.N.L.NALAM . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9598.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 64.6 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 . 70 35.4 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 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 4 1 0 0 2 2 2 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 72 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 170.7 27.8 22.1 34.6 2 2 A Q E -A 198 0A 132 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.956 360.0-163.2-102.6 127.7 24.0 22.4 34.5 3 3 A I E -A 197 0A 32 194,-3.3 194,-2.8 -2,-0.5 2,-0.1 -0.965 3.9-154.1-119.4 124.4 23.1 25.6 32.6 4 4 A T - 0 0 76 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.407 16.4-129.3 -89.9 174.4 19.6 27.2 32.9 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.120 74.7 106.4-125.7 21.8 18.3 29.4 30.1 6 6 A W S S+ 0 0 184 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.756 94.4 33.2 -68.3 -26.8 17.0 32.6 31.7 7 7 A K S S- 0 0 66 -3,-0.3 0, 0.0 180,-0.0 0, 0.0 -0.888 111.0 -81.9-119.9 158.9 20.1 34.2 30.1 8 8 A R - 0 0 105 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.371 47.3-115.2 -54.8 133.6 21.8 33.3 26.9 9 9 A P + 0 0 5 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.479 52.5 166.9 -75.1 75.3 24.1 30.3 27.5 10 10 A L E +D 23 0B 67 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.783 6.8 174.2 -94.9 131.0 27.3 32.1 26.8 11 11 A V E -D 22 0B 16 11,-2.8 11,-2.6 -2,-0.4 2,-0.4 -0.910 34.1-105.1-132.9 158.6 30.6 30.4 27.8 12 12 A T E -D 21 0B 82 -2,-0.3 55,-2.1 9,-0.2 2,-0.3 -0.725 37.4-171.4 -84.3 135.3 34.3 31.2 27.4 13 13 A I E -DE 20 66B 1 7,-2.6 7,-2.1 -2,-0.4 2,-0.5 -0.852 16.3-141.1-120.8 156.9 36.1 29.1 24.8 14 14 A R E +DE 19 65B 146 51,-2.2 51,-2.6 -2,-0.3 2,-0.3 -0.994 28.5 162.3-120.8 123.8 39.8 28.7 24.0 15 15 A I E > -D 18 0B 1 3,-2.2 3,-1.8 -2,-0.5 49,-0.1 -0.973 69.5 -9.9-145.4 123.6 40.8 28.4 20.3 16 16 A G T 3 S- 0 0 61 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.818 129.3 -54.0 56.8 33.1 44.3 29.0 18.9 17 17 A G T 3 S+ 0 0 55 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.409 115.1 113.4 87.1 0.2 45.5 30.5 22.2 18 18 A Q E < -D 15 0B 116 -3,-1.8 -3,-2.2 0, 0.0 2,-0.5 -0.852 60.9-135.5-114.3 140.3 42.7 33.0 22.4 19 19 A L E +D 14 0B 130 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.788 32.5 167.4 -89.5 130.9 39.8 33.4 24.8 20 20 A K E -D 13 0B 64 -7,-2.1 -7,-2.6 -2,-0.5 2,-0.4 -0.893 34.3-120.7-135.5 162.2 36.4 34.2 23.1 21 21 A E E +D 12 0B 118 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.911 37.7 175.7-103.8 135.1 32.8 34.2 24.3 22 22 A A E -D 11 0B 0 -11,-2.6 -11,-2.8 -2,-0.4 2,-0.5 -0.971 28.0-115.3-144.0 162.7 30.5 31.9 22.4 23 23 A L E -Df 10 84B 6 60,-2.8 62,-3.0 -2,-0.3 2,-0.7 -0.810 20.0-131.1-105.8 122.6 26.9 30.7 22.5 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.5 62,-0.1 -0.668 35.8-175.1 -70.6 114.3 25.9 27.2 23.2 25 25 A D > + 0 0 16 60,-2.5 3,-1.9 -2,-0.7 62,-0.3 -0.815 25.2 177.7-128.3 89.7 23.4 26.7 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 61,-0.1 0.735 85.5 61.1 -64.6 -24.1 21.4 23.4 20.1 27 27 A G T 3 S+ 0 0 19 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.488 89.8 85.0 -77.9 -4.9 19.6 24.7 17.0 28 28 A A < - 0 0 13 -3,-1.9 59,-2.9 57,-0.2 60,-0.2 -0.873 58.1-166.6-101.8 122.5 22.9 25.0 15.1 29 29 A D S S+ 0 0 47 -2,-0.5 59,-1.5 57,-0.2 2,-0.2 0.869 77.1 39.4 -70.8 -36.6 24.2 21.9 13.4 30 30 A D S S- 0 0 69 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.683 85.0-112.6-114.2 163.2 27.7 23.5 12.9 31 31 A T - 0 0 0 43,-0.5 45,-2.3 -2,-0.2 2,-0.4 -0.852 34.9-174.2 -98.3 126.3 30.0 25.7 14.9 32 32 A V E -gH 76 84B 2 52,-1.8 52,-3.0 -2,-0.5 2,-0.3 -0.977 3.4-169.3-129.7 122.2 30.4 29.2 13.4 33 33 A L E -g 77 0B 0 43,-3.5 45,-2.3 -2,-0.4 3,-0.2 -0.789 28.6-104.2-111.4 147.8 32.8 31.8 14.7 34 34 A E - 0 0 92 -2,-0.3 -1,-0.1 43,-0.2 48,-0.0 -0.142 68.3 -53.5 -58.9 165.5 33.1 35.5 13.8 35 35 A E S S+ 0 0 124 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.143 82.0 140.7 -49.0 126.7 35.9 36.6 11.4 36 36 A M - 0 0 20 -3,-0.2 2,-0.4 2,-0.0 -3,-0.0 -0.963 51.7-101.4-160.6 160.7 39.2 35.5 12.8 37 37 A N + 0 0 146 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.819 37.0 173.4 -90.3 132.7 42.5 34.0 11.8 38 38 A L - 0 0 18 -2,-0.4 2,-0.0 2,-0.1 -2,-0.0 -0.989 29.3-115.3-134.3 147.1 43.1 30.3 12.2 39 39 A P + 0 0 102 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.334 66.6 23.1 -78.9 161.8 46.2 28.4 11.0 40 40 A G S S- 0 0 65 19,-0.0 -2,-0.1 -2,-0.0 2,-0.1 -0.181 95.1 -16.8 91.4-173.6 46.2 25.7 8.3 41 41 A K + 0 0 96 19,-0.1 19,-0.4 -2,-0.0 2,-0.3 -0.347 56.1 176.8 -68.7 142.9 44.2 24.6 5.3 42 42 A W - 0 0 126 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.977 16.6-146.1-141.2 159.7 40.6 25.7 4.8 43 43 A K E -I 58 0B 110 15,-1.9 15,-3.2 -2,-0.3 2,-0.2 -0.954 25.7-111.0-124.2 143.1 37.9 25.2 2.2 44 44 A P E +I 57 0B 101 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.523 47.2 162.9 -66.0 136.5 35.1 27.6 1.0 45 45 A K E -I 56 0B 87 11,-2.3 11,-2.7 -2,-0.2 2,-0.4 -0.915 29.1-133.7-146.0 168.5 31.7 26.4 2.1 46 46 A M E -I 55 0B 125 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.995 18.7-172.9-128.4 143.4 28.2 27.9 2.4 47 47 A I E -I 54 0B 22 7,-2.0 7,-2.6 -2,-0.4 2,-0.3 -0.970 12.4-138.0-135.2 150.8 25.7 27.5 5.3 48 48 A G E +I 53 0B 45 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.802 25.6 155.2-109.9 146.1 22.1 28.4 5.9 49 49 A G E > -I 52 0B 29 3,-2.4 3,-0.6 101,-0.4 102,-0.1 -0.618 62.1 -54.5-140.5-151.2 20.2 29.9 8.8 50 50 A I T 3 S+ 0 0 32 1,-0.2 101,-0.1 -2,-0.2 3,-0.1 0.824 130.0 38.0 -67.7 -30.7 17.1 31.9 9.5 51 51 A G T 3 S- 0 0 24 99,-2.3 2,-0.3 1,-0.3 100,-0.3 0.487 120.9 -76.8-102.8 -4.5 17.9 34.8 7.1 52 52 A G E < -I 49 0B 28 98,-0.7 -3,-2.4 -3,-0.6 2,-0.3 -0.965 64.7 -43.7 139.0-161.5 19.6 33.1 4.1 53 53 A F E -I 48 0B 147 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.802 45.0-167.4-110.2 149.1 22.9 31.6 3.2 54 54 A I E -I 47 0B 18 -7,-2.6 -7,-2.0 -2,-0.3 2,-0.4 -0.911 23.9-114.0-129.0 162.8 26.4 32.9 3.9 55 55 A K E +I 46 0B 164 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.807 39.8 175.2 -92.0 136.3 29.9 32.0 2.8 56 56 A V E -I 45 0B 6 -11,-2.7 -11,-2.3 -2,-0.4 2,-0.5 -0.900 32.8-118.4-133.8 163.9 32.2 30.6 5.4 57 57 A R E -IJ 44 77B 43 20,-2.4 20,-2.0 -2,-0.3 2,-0.6 -0.937 30.3-143.8-103.3 126.0 35.8 29.2 5.6 58 58 A Q E -IJ 43 76B 24 -15,-3.2 -15,-1.9 -2,-0.5 2,-0.5 -0.826 16.4-174.5 -96.6 118.4 35.8 25.6 6.8 59 59 A Y E - J 0 75B 8 16,-3.0 16,-2.9 -2,-0.6 3,-0.4 -0.950 13.5-152.7-107.5 124.6 38.6 24.5 9.1 60 60 A D E + 0 0 87 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.645 66.6 12.5 -94.9 154.0 38.7 20.8 10.0 61 61 A Q E S+ 0 0 166 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.829 79.0 161.3 55.9 42.5 40.1 19.1 13.1 62 62 A I E - J 0 73B 20 11,-2.7 11,-2.6 -3,-0.4 2,-0.3 -0.792 37.2-126.5 -94.4 130.0 40.6 22.3 15.2 63 63 A P E + J 0 72B 82 0, 0.0 -47,-0.5 0, 0.0 2,-0.4 -0.591 31.2 174.7 -71.8 131.0 40.9 22.1 19.0 64 64 A I E - J 0 71B 3 7,-2.5 7,-2.3 -2,-0.3 2,-0.7 -0.986 24.0-147.7-132.4 131.1 38.5 24.2 21.0 65 65 A E E -EJ 14 70B 90 -51,-2.6 -51,-2.2 -2,-0.4 2,-0.7 -0.882 19.5-165.8 -94.5 117.6 38.3 24.2 24.8 66 66 A I E > -EJ 13 69B 0 3,-3.6 3,-1.9 -2,-0.7 -53,-0.2 -0.900 67.9 -32.8-111.4 103.7 34.6 24.9 25.5 67 67 A C T 3 S- 0 0 49 -55,-2.1 -1,-0.2 -2,-0.7 -54,-0.1 0.881 127.6 -42.6 54.1 41.1 34.0 25.8 29.1 68 68 A G T 3 S+ 0 0 55 1,-0.2 2,-0.5 -56,-0.2 -1,-0.3 0.350 118.6 111.1 94.4 -7.1 36.8 23.5 30.3 69 69 A H E < - 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0 0 9 -2,-2.2 -45,-0.1 -47,-0.2 3,-0.1 -0.680 52.9-124.6 -82.9 146.0 27.6 35.0 12.0 81 81 A P S S+ 0 0 76 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.817 91.7 1.8 -59.9 -33.0 25.8 37.4 14.4 82 82 A V S S- 0 0 47 -50,-0.1 2,-0.2 -59,-0.1 -50,-0.1 -0.971 93.1 -85.1-149.7 150.9 27.6 35.8 17.4 83 83 A N - 0 0 8 -62,-0.4 -60,-2.8 -2,-0.3 2,-0.5 -0.458 54.0-163.0 -57.6 125.6 30.2 33.0 17.9 84 84 A I E -fH 23 32B 12 -52,-3.0 -52,-1.8 -62,-0.2 2,-0.7 -0.968 20.5-151.6-125.0 131.8 28.1 29.8 18.0 85 85 A I E -f 24 0B 0 -62,-3.0 -60,-2.5 -2,-0.5 -57,-0.2 -0.881 28.7-164.2 -95.8 115.3 29.0 26.4 19.3 86 86 A G >> - 0 0 0 -2,-0.7 4,-2.4 -62,-0.1 3,-1.5 -0.283 35.8 -86.3-100.0-179.6 26.9 23.9 17.3 87 87 A R H 3> S+ 0 0 31 -59,-2.9 4,-2.4 -62,-0.3 5,-0.3 0.783 116.9 70.8 -60.6 -31.4 26.0 20.2 17.8 88 88 A N H 34 S+ 0 0 42 -59,-1.5 4,-0.4 1,-0.2 -1,-0.3 0.885 116.6 24.5 -55.7 -32.7 29.1 19.0 16.0 89 89 A L H <> S+ 0 0 0 -3,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.747 114.6 63.9-102.4 -30.3 31.1 20.1 19.1 90 90 A L H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 4,-0.3 0.874 103.5 52.5 -58.9 -37.0 28.3 20.1 21.8 91 91 A T T ><5S+ 0 0 34 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.875 104.1 56.3 -64.7 -37.5 28.2 16.3 21.2 92 92 A Q T 345S+ 0 0 91 -4,-0.4 -1,-0.2 -5,-0.3 -2,-0.2 0.855 108.1 47.3 -62.3 -35.8 32.0 16.0 21.7 93 93 A I T 3<5S- 0 0 11 -4,-1.5 -1,-0.2 -24,-0.1 -2,-0.2 0.359 119.0-108.1 -93.0 7.3 31.7 17.7 25.2 94 94 A G T < 5 + 0 0 47 -3,-1.1 2,-0.3 -4,-0.3 -3,-0.2 0.721 57.3 167.9 80.2 24.8 28.8 15.5 26.3 95 95 A C < + 0 0 3 -5,-2.5 10,-0.4 -6,-0.2 2,-0.3 -0.554 3.9 168.9 -76.6 128.7 26.1 18.2 26.1 96 96 A T E -B 198 0A 16 102,-2.3 102,-2.1 -2,-0.3 2,-0.4 -0.920 33.4-119.6-131.2 159.4 22.5 17.1 26.4 97 97 A L E -BC 197 103A 0 6,-2.6 6,-2.9 -2,-0.3 2,-0.4 -0.850 34.3-173.1 -98.2 139.5 19.2 18.9 26.9 98 98 A N E BC 196 102A 31 98,-2.4 98,-2.7 -2,-0.4 4,-0.2 -0.995 360.0 360.0-137.1 134.9 17.2 17.9 29.9 99 99 A F 0 0 53 2,-1.9 95,-0.2 -2,-0.4 96,-0.1 -0.931 360.0 360.0-153.5 360.0 13.8 18.7 31.3 100 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 101 1 B P 0 0 86 0, 0.0 -2,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 172.7 13.7 13.4 29.5 102 2 B Q E -C 98 0A 124 -4,-0.2 2,-0.6 -6,-0.0 -4,-0.2 -0.960 360.0-164.9-114.0 130.7 17.2 13.7 28.1 103 3 B I E -C 97 0A 32 -6,-2.9 -6,-2.6 -2,-0.5 2,-0.0 -0.949 9.5-150.5-116.8 116.2 17.8 14.6 24.5 104 4 B T - 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