==== 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 3EL0 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_ARV2/SF2; . AUTHOR M.PRABU-JEYABALAN,N.M.KING . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.7 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 . 72 36.4 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 . 26 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.1 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 3 2 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 71 0, 0.0 198,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 171.1 27.2 6.2 -4.1 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.999 360.0-162.0-115.5 125.8 23.5 5.8 -3.6 3 3 A I E -A 197 0A 32 194,-3.1 194,-2.6 -2,-0.5 2,-0.1 -0.938 2.2-154.9-114.4 119.0 22.7 2.7 -1.6 4 4 A T - 0 0 73 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.358 14.7-131.7 -85.6 172.6 19.2 1.2 -1.6 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.214 74.9 105.9-121.1 16.0 17.7 -0.8 1.2 6 6 A W S S+ 0 0 189 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.814 98.0 28.1 -59.9 -27.7 16.2 -3.9 -0.5 7 7 A K S S- 0 0 65 -3,-0.2 0, 0.0 180,-0.0 0, 0.0 -0.866 112.8 -75.0-127.7 161.8 19.2 -5.5 1.1 8 8 A R - 0 0 138 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.362 48.4-118.2 -55.3 127.9 21.3 -4.7 4.2 9 9 A P + 0 0 3 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.461 52.6 163.1 -73.4 78.5 23.5 -1.6 3.4 10 10 A I E +D 23 0B 83 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.849 9.1 171.9-104.2 132.2 26.8 -3.4 4.0 11 11 A V E -D 22 0B 12 11,-2.4 11,-2.8 -2,-0.4 2,-0.4 -0.899 36.0-100.9-131.6 162.5 30.1 -1.9 2.7 12 12 A T E -D 21 0B 66 -2,-0.3 55,-2.0 9,-0.2 2,-0.3 -0.683 37.2-169.1 -84.8 134.2 33.7 -2.7 3.0 13 13 A I E -DE 20 66B 1 7,-3.4 7,-2.4 -2,-0.4 2,-0.4 -0.878 12.5-143.7-118.6 157.3 35.7 -0.5 5.5 14 14 A R E +DE 19 65B 131 51,-2.3 51,-2.8 -2,-0.3 2,-0.3 -0.992 27.1 160.2-123.3 128.0 39.5 -0.3 6.0 15 15 A I E > -DE 18 64B 2 3,-2.3 3,-2.5 -2,-0.4 49,-0.1 -0.973 68.5 -5.7-150.3 128.1 40.9 0.2 9.5 16 16 A G T 3 S- 0 0 64 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.808 128.6 -57.8 58.6 31.6 44.5 -0.5 10.8 17 17 A G T 3 S+ 0 0 50 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.477 114.8 120.7 73.1 4.5 45.3 -2.0 7.4 18 18 A Q E < -D 15 0B 110 -3,-2.5 -3,-2.3 2,-0.0 2,-0.5 -0.796 57.0-139.5-100.9 144.0 42.5 -4.5 7.8 19 19 A L E +D 14 0B 125 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.884 31.1 164.6-101.6 128.5 39.5 -5.0 5.5 20 20 A K E -D 13 0B 44 -7,-2.4 -7,-3.4 -2,-0.5 2,-0.4 -0.951 35.6-119.0-139.0 160.0 36.0 -5.6 7.1 21 21 A E E -D 12 0B 101 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.833 36.3-179.9-100.0 136.4 32.3 -5.5 6.2 22 22 A A E -D 11 0B 1 -11,-2.8 -11,-2.4 -2,-0.4 2,-0.6 -0.991 26.8-119.8-145.6 148.7 30.2 -3.1 8.1 23 23 A L E -Df 10 84B 21 60,-2.6 62,-3.2 -2,-0.3 2,-0.6 -0.771 21.8-131.6 -95.7 119.0 26.5 -2.0 8.2 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.6 62,-0.2 -0.598 35.3-173.1 -67.6 113.7 25.6 1.6 7.5 25 25 A D > + 0 0 16 60,-2.8 3,-1.4 -2,-0.6 62,-0.3 -0.857 26.1 178.3-132.3 92.7 23.4 2.2 10.5 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 61,-0.1 0.714 83.1 62.1 -72.0 -20.8 21.4 5.4 10.8 27 27 A G T 3 S+ 0 0 19 81,-0.1 2,-0.4 96,-0.1 -1,-0.3 0.413 89.7 82.6 -85.9 1.0 19.8 4.3 14.0 28 28 A A < - 0 0 16 -3,-1.4 59,-2.8 57,-0.2 60,-0.1 -0.906 60.0-160.3-106.7 136.0 23.1 4.0 15.9 29 29 A D S S+ 0 0 51 -2,-0.4 59,-1.4 57,-0.2 2,-0.2 0.822 78.9 39.9 -74.6 -34.3 24.7 7.1 17.5 30 30 A D S S- 0 0 57 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.698 82.1-113.7-119.5 165.3 28.1 5.3 17.6 31 31 A T - 0 0 0 43,-0.4 45,-2.7 -2,-0.2 2,-0.5 -0.887 33.4-173.5-101.4 124.7 30.2 3.1 15.5 32 32 A V E -gH 76 84B 4 52,-1.4 52,-2.5 -2,-0.5 2,-0.3 -0.971 2.3-173.2-128.1 119.5 30.7 -0.4 17.0 33 33 A L E -g 77 0B 0 43,-3.3 45,-2.3 -2,-0.5 3,-0.2 -0.815 32.0 -97.0-112.0 152.3 33.0 -3.1 15.6 34 34 A E - 0 0 84 -2,-0.3 -1,-0.1 43,-0.2 50,-0.0 -0.057 68.4 -57.1 -57.4 165.5 33.5 -6.7 16.6 35 35 A E S S+ 0 0 128 43,-0.2 2,-0.3 45,-0.2 -1,-0.2 -0.167 79.0 133.8 -58.3 130.4 36.4 -7.6 18.9 36 36 A M - 0 0 25 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.962 53.5-102.1-165.5 160.8 39.8 -6.6 17.6 37 37 A N - 0 0 146 -2,-0.3 -2,-0.0 40,-0.0 0, 0.0 -0.814 35.2-176.4 -94.3 134.3 43.0 -4.8 18.7 38 38 A L - 0 0 17 -2,-0.4 2,-0.3 2,-0.2 -2,-0.0 -0.888 32.8 -96.7-121.8 154.8 43.6 -1.2 17.7 39 39 A P S S+ 0 0 106 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.552 78.8 20.0 -69.9 134.0 46.6 1.0 18.4 40 40 A G S S- 0 0 62 -2,-0.3 -2,-0.2 19,-0.1 2,-0.1 -0.350 94.0 -33.1 113.6 177.5 46.6 3.3 21.4 41 41 A K - 0 0 99 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.471 54.6-170.3 -71.6 142.3 45.0 4.0 24.7 42 42 A W - 0 0 116 -2,-0.1 17,-0.2 17,-0.1 -2,-0.0 -0.947 13.3-138.4-131.1 154.8 41.3 3.1 25.1 43 43 A K E -I 58 0B 44 15,-1.6 15,-3.0 -2,-0.3 2,-0.1 -0.889 26.5-109.4-110.3 142.5 38.7 3.9 27.7 44 44 A P E +I 57 0B 95 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.480 44.3 179.6 -60.5 140.2 36.1 1.4 29.1 45 45 A K E -I 56 0B 74 11,-2.2 11,-3.3 -2,-0.1 2,-0.5 -0.994 23.5-144.8-146.3 148.9 32.6 2.3 28.0 46 46 A M E -I 55 0B 91 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.963 15.8-169.0-113.2 127.7 29.0 1.0 28.4 47 47 A I E -I 54 0B 18 7,-2.6 7,-3.2 -2,-0.5 2,-0.5 -0.882 33.9 -99.4-114.7 150.3 26.5 1.3 25.6 48 48 A V E +I 53 0B 89 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.563 54.2 166.7 -75.3 117.2 22.7 0.6 25.9 49 49 A G E > -I 52 0B 15 3,-1.1 3,-1.3 -2,-0.5 2,-0.5 -0.542 43.5 -66.4-120.7-175.6 21.9 -2.9 24.7 50 50 A I T 3 S+ 0 0 33 100,-3.2 99,-0.1 1,-0.3 103,-0.1 -0.640 120.5 2.0 -80.4 120.2 19.1 -5.5 24.7 51 51 A G T 3 S- 0 0 91 -2,-0.5 -1,-0.3 101,-0.1 2,-0.2 0.560 137.5 -24.8 80.6 10.9 18.5 -6.8 28.3 52 52 A G E < S-I 49 0B 41 -3,-1.3 -3,-1.1 100,-0.0 2,-0.1 -0.800 92.0 -38.8 142.2 176.4 21.2 -4.4 29.7 53 53 A F E -I 48 0B 145 -2,-0.2 2,-0.5 -5,-0.2 -5,-0.2 -0.386 47.5-140.5 -71.6 146.9 24.3 -2.4 29.0 54 54 A V E -I 47 0B 14 -7,-3.2 -7,-2.6 -2,-0.1 2,-0.4 -0.953 14.1-130.1-111.8 128.9 27.1 -3.8 26.8 55 55 A K E +I 46 0B 88 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.640 37.1 163.6 -78.2 127.9 30.8 -3.3 27.7 56 56 A V E -I 45 0B 1 -11,-3.3 -11,-2.2 -2,-0.4 2,-0.5 -0.838 36.8-115.7-134.7 171.2 33.0 -1.9 24.9 57 57 A R E -IJ 44 77B 46 20,-2.6 20,-2.6 -2,-0.3 2,-0.5 -0.962 26.9-143.3-111.7 128.9 36.4 -0.3 24.5 58 58 A Q E -IJ 43 76B 46 -15,-3.0 -15,-1.6 -2,-0.5 2,-0.4 -0.817 15.4-174.6 -96.6 123.6 36.5 3.3 23.1 59 59 A Y E - J 0 75B 9 16,-2.7 16,-2.8 -2,-0.5 3,-0.3 -0.984 14.3-151.9-114.4 131.0 39.2 4.3 20.7 60 60 A D E + 0 0 77 -19,-0.4 14,-0.2 -2,-0.4 13,-0.1 -0.694 65.7 12.0-105.8 152.1 39.3 8.0 19.7 61 61 A Q E S+ 0 0 144 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.876 78.6 165.2 53.1 49.5 40.6 9.7 16.6 62 62 A I E - J 0 73B 19 11,-2.7 11,-2.0 -3,-0.3 2,-0.3 -0.849 36.8-127.3 -98.0 124.5 41.0 6.5 14.6 63 63 A P E + J 0 72B 86 0, 0.0 -47,-0.5 0, 0.0 2,-0.3 -0.553 37.3 170.1 -68.4 131.1 41.4 6.8 10.8 64 64 A I E -EJ 15 71B 5 7,-2.6 7,-2.2 -2,-0.3 2,-0.5 -0.995 25.9-145.0-148.1 134.0 38.9 4.6 9.0 65 65 A E E -EJ 14 70B 61 -51,-2.8 -51,-2.3 -2,-0.3 2,-0.6 -0.907 14.1-167.1-109.5 124.2 38.0 4.4 5.3 66 66 A I E > S-EJ 13 69B 0 3,-3.3 3,-2.0 -2,-0.5 -53,-0.2 -0.925 72.4 -30.5-119.9 109.3 34.3 3.7 4.5 67 67 A C T 3 S- 0 0 55 -55,-2.0 -1,-0.2 -2,-0.6 -54,-0.1 0.880 128.2 -47.1 48.3 40.9 33.4 2.7 1.0 68 68 A G T 3 S+ 0 0 54 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.525 115.7 116.5 81.8 6.3 36.4 4.9 -0.1 69 69 A H E < - J 0 66B 67 -3,-2.0 -3,-3.3 2,-0.0 2,-0.3 -0.942 61.4-130.2-109.2 129.2 35.5 7.9 2.1 70 70 A K E + J 0 65B 177 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.550 29.5 171.5 -82.9 136.2 38.0 8.9 4.8 71 71 A A E - 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