==== 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 21-SEP-08 3EL9 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_ARV2/SF2; . AUTHOR M.PRABU-JEYABALAN,N.KING,C.SCHIFFER . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 36.2 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 . 12 6.0 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 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 74 0, 0.0 198,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 175.8 13.7 14.1 29.5 2 2 A Q E -A 198 0A 122 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.970 360.0-163.8-111.4 130.2 17.3 14.2 28.3 3 3 A I E -A 197 0A 30 194,-3.2 194,-2.8 -2,-0.5 2,-0.1 -0.970 7.1-152.0-117.9 118.6 17.8 15.1 24.7 4 4 A T - 0 0 61 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.306 14.7-130.3 -83.3 173.4 21.2 14.4 23.1 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.132 73.9 109.2-121.8 20.3 22.6 16.4 20.3 6 6 A W S S+ 0 0 188 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.864 93.9 20.9 -63.9 -37.5 23.6 13.8 17.8 7 7 A K S S- 0 0 169 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.784 113.2 -65.6-121.6 173.7 20.7 14.9 15.7 8 8 A R - 0 0 119 -2,-0.3 2,-2.5 1,-0.1 119,-0.1 -0.357 51.7-118.9 -58.9 132.6 18.6 18.1 15.6 9 9 A P + 0 0 3 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.407 51.9 164.0 -76.0 68.4 16.7 18.4 18.9 10 10 A L E +D 23 0B 81 -2,-2.5 2,-0.3 13,-0.2 13,-0.2 -0.728 7.5 171.3 -87.1 131.5 13.3 18.3 17.2 11 11 A V E -D 22 0B 15 11,-2.6 11,-2.9 -2,-0.4 2,-0.4 -0.903 37.3 -96.8-135.4 162.3 10.4 17.7 19.5 12 12 A T E -D 21 0B 59 -2,-0.3 55,-2.1 9,-0.2 2,-0.3 -0.688 40.3-174.0 -81.8 132.6 6.6 17.7 19.2 13 13 A I E -DE 20 66B 1 7,-3.1 7,-2.4 -2,-0.4 2,-0.5 -0.864 16.9-138.8-119.9 157.4 4.9 20.9 20.3 14 14 A R E +DE 19 65B 20 51,-2.6 51,-2.2 -2,-0.3 2,-0.4 -0.984 25.6 166.9-118.9 123.0 1.2 21.7 20.6 15 15 A I E > S-DE 18 64B 3 3,-3.0 3,-1.6 -2,-0.5 49,-0.1 -0.994 75.4 -0.1-135.9 128.6 -0.1 25.1 19.6 16 16 A G T 3 S- 0 0 68 47,-0.5 3,-0.1 -2,-0.4 -1,-0.1 0.806 130.0 -62.9 62.0 30.8 -3.8 25.8 19.1 17 17 A G T 3 S+ 0 0 75 1,-0.3 2,-0.3 48,-0.0 -1,-0.3 0.439 117.1 112.9 74.9 0.9 -4.4 22.2 20.1 18 18 A Q E < -D 15 0B 138 -3,-1.6 -3,-3.0 1,-0.0 2,-0.4 -0.787 65.0-120.3-111.7 152.2 -2.5 21.1 17.0 19 19 A L E +D 14 0B 130 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.723 32.0 164.5-101.8 136.4 0.9 19.4 16.8 20 20 A K E -D 13 0B 49 -7,-2.4 -7,-3.1 -2,-0.4 2,-0.5 -0.903 35.3-117.1-136.2 161.4 4.1 20.6 15.1 21 21 A E E +D 12 0B 99 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.910 39.6 176.9-100.4 133.1 7.8 19.6 15.2 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-2.6 -2,-0.5 2,-0.5 -0.981 31.0-114.0-142.5 153.1 10.1 22.3 16.5 23 23 A L E -Df 10 84B 5 60,-3.0 62,-3.3 -2,-0.3 2,-0.9 -0.700 22.3-135.9 -88.3 123.1 13.8 22.7 17.3 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.2 -0.731 35.5-170.2 -78.6 109.1 14.7 23.3 20.9 25 25 A D > + 0 0 1 60,-3.0 3,-1.6 -2,-0.9 62,-0.3 -0.837 32.7 177.9-122.4 100.0 17.1 26.1 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.639 87.4 63.6 -67.6 -15.7 19.4 27.5 23.0 27 27 A G T 3 S+ 0 0 15 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.277 88.8 87.6 -90.3 11.9 20.9 29.9 20.4 28 28 A A < - 0 0 14 -3,-1.6 59,-3.1 57,-0.2 60,-0.2 -0.945 52.9-169.9-119.0 120.2 17.5 31.6 20.0 29 29 A D S S+ 0 0 59 -2,-0.5 59,-0.9 57,-0.2 2,-0.2 0.857 80.1 36.2 -67.0 -38.4 16.3 34.6 22.1 30 30 A D S S- 0 0 57 57,-0.1 2,-0.5 56,-0.1 57,-0.2 -0.681 84.0-111.9-116.8 163.4 12.8 34.2 20.6 31 31 A T - 0 0 1 43,-0.5 45,-2.8 -2,-0.2 2,-0.5 -0.901 34.4-171.2 -99.6 123.9 10.4 31.5 19.5 32 32 A V E -gH 76 84B 6 52,-1.9 52,-3.2 -2,-0.5 2,-0.3 -0.976 0.5-168.5-126.1 120.3 9.9 31.6 15.7 33 33 A L E -g 77 0B 1 43,-3.4 45,-2.1 -2,-0.5 47,-0.2 -0.795 28.9-101.4-111.8 147.1 7.2 29.5 14.0 34 34 A E E -g 78 0B 74 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.227 66.5 -64.6 -58.3 152.6 6.6 28.7 10.3 35 35 A E S S+ 0 0 103 43,-0.6 2,-0.3 45,-0.2 -1,-0.2 -0.107 70.7 155.6 -46.2 129.1 3.9 30.7 8.7 36 36 A M - 0 0 33 -3,-0.2 2,-1.7 2,-0.1 -3,-0.1 -0.954 47.5-116.8-157.3 143.6 0.5 29.8 10.2 37 37 A N + 0 0 150 -2,-0.3 -2,-0.1 40,-0.0 40,-0.0 -0.430 41.5 176.3 -92.9 68.3 -2.7 31.8 10.4 38 38 A L - 0 0 24 -2,-1.7 2,-0.1 1,-0.1 -2,-0.1 -0.374 26.9-120.7 -65.8 144.3 -3.2 32.4 14.1 39 39 A P + 0 0 110 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.369 65.0 51.9 -74.8 163.4 -6.1 34.6 15.2 40 40 A G S S- 0 0 59 -2,-0.1 2,-0.1 19,-0.0 -2,-0.0 -0.234 89.8 -42.9 105.8 172.2 -5.7 37.8 17.3 41 41 A K - 0 0 194 -2,-0.1 19,-0.3 19,-0.1 2,-0.3 -0.374 55.4-178.9 -70.1 151.8 -3.8 41.0 17.2 42 42 A W - 0 0 129 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.939 20.0-134.9-143.8 165.9 -0.1 41.0 16.3 43 43 A K E -I 58 0B 43 15,-1.4 15,-3.1 -2,-0.3 2,-0.2 -0.971 28.1-112.7-121.0 139.9 2.7 43.5 16.0 44 44 A P E +I 57 0B 107 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.505 43.0 171.9 -68.9 143.7 5.2 43.6 13.2 45 45 A K E -I 56 0B 74 11,-2.2 11,-2.8 -2,-0.2 2,-0.4 -0.972 27.2-140.3-147.0 155.1 8.8 42.8 14.2 46 46 A M E -I 55 0B 118 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.987 20.7-174.0-118.2 133.6 12.1 42.1 12.5 47 47 A I E -I 54 0B 15 7,-2.2 7,-2.6 -2,-0.4 2,-0.4 -0.960 13.7-137.8-129.3 146.2 14.4 39.4 13.8 48 48 A G E +I 53 0B 46 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.879 24.0 165.4-111.9 133.5 17.9 38.5 12.7 49 49 A G E > -I 52 0B 19 3,-2.8 3,-1.6 -2,-0.4 102,-0.1 -0.537 59.6 -62.4-122.2-163.2 19.5 35.2 12.0 50 50 A I T 3 S+ 0 0 12 151,-0.5 101,-0.2 1,-0.3 3,-0.1 0.854 133.0 40.6 -55.9 -38.6 22.7 34.1 10.3 51 51 A G T 3 S- 0 0 27 99,-1.9 2,-0.3 1,-0.3 -1,-0.3 0.483 122.3 -88.6 -92.8 0.1 21.6 35.4 6.9 52 52 A G E < -I 49 0B 27 -3,-1.6 -3,-2.8 98,-0.5 -1,-0.3 -0.887 65.1 -27.1 124.4-160.6 20.1 38.7 8.0 53 53 A F E -I 48 0B 143 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.662 43.7-169.3-101.0 147.2 16.7 39.9 9.1 54 54 A I E -I 47 0B 23 -7,-2.6 -7,-2.2 -2,-0.3 2,-0.4 -0.934 27.3-112.4-126.5 157.8 13.2 38.7 8.3 55 55 A K E +I 46 0B 68 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.745 41.2 173.3 -88.0 130.0 9.7 40.2 8.9 56 56 A V E -I 45 0B 7 -11,-2.8 -11,-2.2 -2,-0.4 2,-0.5 -0.892 32.6-118.5-133.1 163.0 7.6 38.3 11.5 57 57 A R E -IJ 44 77B 41 20,-2.9 20,-2.3 -2,-0.3 2,-0.7 -0.916 27.0-142.1-102.5 125.8 4.3 38.8 13.2 58 58 A Q E -IJ 43 76B 48 -15,-3.1 -15,-1.4 -2,-0.5 2,-0.4 -0.793 18.4-175.8 -94.1 113.7 4.5 39.0 17.0 59 59 A Y E - J 0 75B 6 16,-2.9 16,-2.8 -2,-0.7 3,-0.3 -0.922 13.6-148.2-105.8 133.3 1.7 37.2 18.9 60 60 A D E + 0 0 90 -2,-0.4 14,-0.2 -19,-0.3 13,-0.1 -0.686 66.7 13.1-102.2 154.0 1.7 37.6 22.7 61 61 A Q E S+ 0 0 126 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.871 75.6 162.5 52.9 46.5 0.5 35.2 25.4 62 62 A I E - J 0 73B 30 11,-2.7 11,-2.0 -3,-0.3 2,-0.3 -0.844 37.9-127.8 -92.4 121.6 0.2 32.1 23.2 63 63 A P E + J 0 72B 85 0, 0.0 -47,-0.5 0, 0.0 2,-0.4 -0.544 31.2 178.3 -66.1 130.9 -0.0 28.8 25.0 64 64 A V E -EJ 15 71B 2 7,-2.1 7,-1.4 -2,-0.3 2,-0.5 -0.966 16.8-154.2-135.9 120.5 2.5 26.3 23.7 65 65 A E E -EJ 14 70B 71 -51,-2.2 -51,-2.6 -2,-0.4 2,-0.6 -0.846 11.8-160.8 -95.4 125.6 2.9 22.8 25.1 66 66 A I E > -EJ 13 69B 0 3,-3.2 3,-2.7 -2,-0.5 -53,-0.2 -0.924 69.2 -31.3-114.0 108.8 6.4 21.4 24.6 67 67 A C T 3 S- 0 0 58 -55,-2.1 -1,-0.2 -2,-0.6 -54,-0.1 0.884 128.2 -44.6 54.0 40.2 6.9 17.7 24.8 68 68 A G T 3 S+ 0 0 54 1,-0.2 2,-0.5 -56,-0.2 -1,-0.3 0.340 116.4 114.4 85.6 -6.4 4.1 17.6 27.4 69 69 A H E < - J 0 66B 65 -3,-2.7 -3,-3.2 1,-0.0 2,-0.3 -0.864 63.3-130.1-100.0 128.7 5.3 20.7 29.4 70 70 A K E + J 0 65B 164 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.539 33.2 163.2 -84.1 137.6 3.1 23.8 29.3 71 71 A A E - 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