==== 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/HYDROLASE INHIBITOR 19-SEP-08 3EL4 . 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) . 9816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 35.7 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 . 24 12.1 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 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 2 3 0 1 1 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 90 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 173.1 11.8 15.3 30.0 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.930 360.0-160.3-112.2 132.0 8.2 15.2 28.6 3 3 A I E -A 197 0A 29 194,-3.2 194,-2.3 -2,-0.5 2,-0.1 -0.949 5.1-151.2-118.0 122.1 7.5 14.3 25.0 4 4 A T - 0 0 73 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.445 14.0-134.1 -84.0 161.3 4.3 15.2 23.2 5 5 A L S S+ 0 0 3 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.128 73.5 107.9-107.7 24.0 3.0 13.1 20.4 6 6 A W S S+ 0 0 191 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.849 93.8 24.6 -64.7 -33.2 1.9 15.7 17.8 7 7 A K S S- 0 0 66 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.806 112.4 -72.1-124.7 166.1 5.0 14.6 15.8 8 8 A R - 0 0 128 -2,-0.3 2,-2.4 1,-0.1 119,-0.1 -0.386 52.1-115.8 -59.1 132.4 6.9 11.3 15.8 9 9 A P + 0 0 4 0, 0.0 15,-2.4 0, 0.0 2,-0.4 -0.442 50.9 170.0 -73.4 75.6 8.9 11.0 19.1 10 10 A L E +D 23 0B 76 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.742 4.2 170.7 -92.4 134.3 12.3 11.1 17.5 11 11 A V E -D 22 0B 14 11,-2.7 11,-2.9 -2,-0.4 2,-0.4 -0.892 35.9 -99.9-136.4 165.4 15.4 11.5 19.6 12 12 A T E -D 21 0B 78 -2,-0.3 55,-2.3 9,-0.2 2,-0.3 -0.737 37.9-173.7 -90.7 133.5 19.2 11.3 19.2 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.2 -2,-0.4 2,-0.5 -0.860 16.4-142.3-122.4 159.6 20.9 8.1 20.3 14 14 A R E +DE 19 65B 119 51,-2.4 51,-2.3 -2,-0.3 2,-0.4 -0.976 30.5 157.8-126.2 116.7 24.5 7.1 20.4 15 15 A I E - E 0 64B 2 3,-2.5 3,-0.2 -2,-0.5 49,-0.1 -0.994 63.4 -6.3-144.0 135.7 25.6 3.6 19.5 16 16 A G S S- 0 0 52 47,-0.6 -1,-0.1 -2,-0.4 3,-0.1 0.847 129.7 -52.7 52.9 38.1 28.9 2.1 18.3 17 17 A G S S+ 0 0 61 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.910 117.1 109.0 66.3 43.4 30.4 5.5 18.1 18 18 A Q - 0 0 27 -3,-0.2 -3,-2.5 2,-0.0 2,-0.5 -0.991 60.8-137.0-151.5 140.3 27.7 7.0 16.0 19 19 A L E +D 14 0B 124 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.864 34.3 161.3-100.5 130.1 24.9 9.5 16.4 20 20 A K E -D 13 0B 52 -7,-2.2 -7,-3.0 -2,-0.5 2,-0.4 -0.899 38.9-111.8-140.3 166.7 21.5 8.6 14.9 21 21 A E E -D 12 0B 124 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.851 38.3-177.9-101.3 140.4 17.9 9.5 15.2 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-2.7 -2,-0.4 2,-0.5 -0.981 26.2-118.3-141.3 153.1 15.5 6.9 16.7 23 23 A L E -Df 10 84B 6 60,-2.9 62,-2.9 -2,-0.3 2,-0.9 -0.776 21.6-132.0 -93.2 125.2 11.8 6.5 17.4 24 24 A L E - f 0 85B 0 -15,-2.4 2,-0.6 -2,-0.5 62,-0.1 -0.703 35.0-173.2 -77.3 111.5 10.7 6.0 21.0 25 25 A D > + 0 0 3 60,-2.4 3,-1.4 -2,-0.9 62,-0.3 -0.852 27.2 176.3-119.0 97.2 8.4 3.1 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.697 85.7 60.7 -69.7 -17.6 6.2 1.8 23.3 27 27 A G T 3 S+ 0 0 3 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.397 88.0 86.1 -90.2 2.8 4.6 -0.7 20.8 28 28 A A < - 0 0 0 -3,-1.4 59,-2.7 57,-0.2 60,-0.2 -0.911 57.7-163.1-107.7 127.0 7.9 -2.4 20.0 29 29 A D S S+ 0 0 31 172,-1.9 59,-0.9 -2,-0.5 2,-0.2 0.869 78.6 36.4 -69.6 -38.5 9.1 -5.3 22.2 30 30 A D S S- 0 0 48 171,-0.2 2,-0.5 57,-0.1 57,-0.2 -0.574 84.0-111.3-111.2 172.7 12.6 -5.0 20.8 31 31 A T - 0 0 0 43,-0.4 45,-2.4 -2,-0.2 2,-0.5 -0.930 35.3-172.3-106.7 122.1 15.0 -2.4 19.6 32 32 A V E -gH 76 84B 1 52,-1.5 52,-3.3 -2,-0.5 2,-0.3 -0.974 1.0-170.4-123.7 124.6 15.6 -2.5 15.9 33 33 A L E -g 77 0B 0 43,-3.1 45,-2.2 -2,-0.5 47,-0.2 -0.820 29.6 -94.5-116.1 153.9 18.2 -0.5 14.1 34 34 A E - 0 0 76 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.114 65.7 -69.6 -56.0 156.9 19.0 0.2 10.4 35 35 A E + 0 0 116 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.258 69.5 159.2 -52.7 126.2 21.7 -1.9 8.8 36 36 A M - 0 0 26 -3,-0.2 2,-1.6 2,-0.1 -3,-0.1 -0.978 46.0-116.3-154.1 143.4 25.1 -1.1 10.3 37 37 A N + 0 0 158 -2,-0.3 -2,-0.1 40,-0.0 0, 0.0 -0.525 43.1 171.2 -85.0 75.2 28.4 -2.9 10.5 38 38 A L - 0 0 17 -2,-1.6 2,-0.1 1,-0.1 -2,-0.1 -0.570 29.2-123.5 -83.8 144.8 28.9 -3.5 14.2 39 39 A P + 0 0 114 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.385 64.8 61.0 -82.5 166.4 31.7 -5.7 15.4 40 40 A G S S- 0 0 61 -2,-0.1 2,-0.1 2,-0.0 -2,-0.0 -0.275 88.7 -50.8 106.1 165.9 31.2 -8.7 17.6 41 41 A K - 0 0 94 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.419 53.9-177.2 -75.5 150.9 29.3 -12.0 17.5 42 42 A W - 0 0 126 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.977 18.1-140.2-146.7 156.9 25.7 -12.1 16.5 43 43 A K E -I 58 0B 109 15,-1.4 15,-2.6 -2,-0.3 2,-0.1 -0.953 29.0-109.8-121.6 139.9 22.9 -14.6 16.2 44 44 A P E +I 57 0B 102 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.385 43.1 173.5 -67.5 144.3 20.3 -14.7 13.4 45 45 A K E -I 56 0B 79 11,-2.3 11,-2.9 -2,-0.1 2,-0.4 -0.981 27.0-139.3-149.9 158.9 16.7 -13.9 14.4 46 46 A M E +I 55 0B 113 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.987 22.8 177.1-122.6 127.0 13.3 -13.3 12.9 47 47 A I E -I 54 0B 7 7,-2.0 7,-2.5 -2,-0.4 2,-0.2 -0.957 9.1-159.0-128.7 150.2 11.0 -10.5 14.2 48 48 A G E +I 53 0B 4 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.621 19.8 151.5-122.4-177.4 7.6 -9.5 12.9 49 49 A G E > -I 52 0B 6 3,-1.5 3,-0.9 -2,-0.2 100,-0.1 -0.873 65.1 -25.7-177.4-154.7 5.2 -6.6 12.9 50 50 A I T 3 S+ 0 0 30 -2,-0.3 101,-0.1 1,-0.2 103,-0.1 0.888 131.9 30.2 -45.1 -62.9 2.4 -5.3 10.6 51 51 A G T 3 S- 0 0 27 99,-0.9 2,-0.3 101,-0.5 -1,-0.2 0.442 121.3 -83.8 -84.7 1.9 3.4 -6.6 7.1 52 52 A G E < -I 49 0B 25 -3,-0.9 -3,-1.5 98,-0.7 2,-0.3 -0.978 63.3 -34.5 138.0-151.0 5.2 -9.8 8.2 53 53 A F E -I 48 0B 129 -2,-0.3 2,-0.3 98,-0.2 -5,-0.2 -0.810 39.8-163.1-114.6 155.5 8.6 -10.9 9.4 54 54 A I E -I 47 0B 25 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.4 -0.958 24.3-115.9-133.4 153.4 12.2 -9.7 8.6 55 55 A K E +I 46 0B 155 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.747 42.0 171.1 -89.2 130.7 15.6 -11.4 9.2 56 56 A V E -I 45 0B 6 -11,-2.9 -11,-2.3 -2,-0.4 2,-0.5 -0.905 33.1-117.6-137.5 166.0 17.8 -9.5 11.6 57 57 A R E -IJ 44 77B 45 20,-2.8 20,-2.7 -2,-0.3 2,-0.6 -0.909 26.2-142.0-108.3 129.0 21.1 -9.9 13.5 58 58 A Q E -IJ 43 76B 32 -15,-2.6 -15,-1.4 -2,-0.5 2,-0.4 -0.810 16.9-175.1 -97.0 116.5 21.0 -9.9 17.3 59 59 A Y E - J 0 75B 7 16,-2.9 16,-2.6 -2,-0.6 3,-0.3 -0.919 12.8-151.2-108.8 132.8 23.8 -8.2 19.2 60 60 A D E + 0 0 71 -2,-0.4 14,-0.2 -19,-0.4 -19,-0.1 -0.691 66.0 14.6-105.0 156.7 23.9 -8.5 23.0 61 61 A Q E S+ 0 0 127 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.864 75.3 165.7 53.2 44.6 25.3 -6.1 25.6 62 62 A I E - J 0 73B 26 11,-2.6 11,-1.7 -3,-0.3 2,-0.3 -0.807 36.0-128.0 -94.1 125.4 25.6 -3.1 23.4 63 63 A P E + J 0 72B 91 0, 0.0 -47,-0.6 0, 0.0 2,-0.4 -0.528 35.4 176.0 -70.9 132.9 26.1 0.2 25.2 64 64 A I E -EJ 15 71B 5 7,-2.7 7,-1.5 -2,-0.3 2,-0.6 -0.992 23.2-151.0-144.3 133.9 23.7 2.8 24.0 65 65 A E E -EJ 14 70B 64 -51,-2.3 -51,-2.4 -2,-0.4 2,-0.6 -0.913 12.9-164.8-106.4 124.1 23.0 6.4 25.0 66 66 A I E > S-EJ 13 69B 0 3,-3.5 3,-2.5 -2,-0.6 -53,-0.2 -0.924 71.2 -30.6-113.3 112.6 19.4 7.6 24.6 67 67 A C T 3 S- 0 0 58 -55,-2.3 -1,-0.2 -2,-0.6 -54,-0.1 0.838 128.1 -45.4 52.3 35.6 18.8 11.3 24.7 68 68 A G T 3 S+ 0 0 51 1,-0.3 2,-0.5 -56,-0.2 -1,-0.3 0.411 116.9 115.1 90.5 -3.5 21.7 11.6 27.2 69 69 A H E < - 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