==== 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 3EKY . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_ARV2/SF2; . AUTHOR C.A.SCHIFFER,M.N.L.NALAM . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9794.0 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 . 22 11.1 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 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,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 172.1 28.2 22.6 34.7 2 2 A Q E -A 198 0A 132 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.985 360.0-163.3-113.3 129.0 24.4 23.1 34.5 3 3 A I E -A 197 0A 33 194,-3.1 194,-2.5 -2,-0.4 2,-0.1 -0.959 4.3-154.4-121.0 120.1 23.4 26.3 32.6 4 4 A T - 0 0 73 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.347 17.3-129.6 -84.0 174.3 19.9 27.9 32.8 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.108 75.2 105.2-124.5 22.8 18.6 29.9 29.9 6 6 A W S S+ 0 0 185 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.742 94.3 37.3 -72.8 -20.8 17.3 33.3 31.3 7 7 A K S S- 0 0 65 -3,-0.2 0, 0.0 180,-0.0 0, 0.0 -0.857 109.8 -83.4-117.6 161.9 20.5 34.7 29.7 8 8 A R - 0 0 125 -2,-0.3 2,-2.4 1,-0.1 119,-0.1 -0.434 46.4-117.8 -59.0 132.0 22.3 33.7 26.4 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.3 -0.405 51.9 164.3 -77.6 70.6 24.5 30.7 27.1 10 10 A L E +D 23 0B 84 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.688 10.2 178.7 -86.6 138.4 27.8 32.3 26.3 11 11 A V E -D 22 0B 12 11,-2.6 11,-2.4 -2,-0.3 2,-0.3 -0.958 32.7-103.2-135.1 158.6 31.0 30.7 27.4 12 12 A T E -D 21 0B 65 -2,-0.3 55,-2.1 9,-0.2 2,-0.3 -0.628 39.4-172.0 -79.1 131.8 34.7 31.4 27.1 13 13 A I E -DE 20 66B 0 7,-3.0 7,-2.1 -2,-0.3 2,-0.5 -0.903 17.6-143.8-120.8 153.5 36.6 29.3 24.5 14 14 A R E +DE 19 65B 126 51,-2.1 51,-2.3 -2,-0.3 2,-0.3 -0.989 29.6 160.7-115.0 126.2 40.3 29.0 23.6 15 15 A I E > -DE 18 64B 2 3,-2.7 3,-2.1 -2,-0.5 49,-0.1 -0.982 67.3 -4.7-149.4 130.9 41.1 28.5 19.9 16 16 A G T 3 S- 0 0 60 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.809 128.9 -59.0 53.1 33.5 44.4 29.1 18.1 17 17 A G T 3 S+ 0 0 44 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.387 117.0 110.7 79.6 -2.8 45.8 30.4 21.4 18 18 A Q E < -D 15 0B 130 -3,-2.1 -3,-2.7 0, 0.0 2,-0.4 -0.797 63.1-130.0-111.8 148.2 43.2 33.2 21.6 19 19 A L E +D 14 0B 103 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.782 33.0 163.1 -97.2 139.1 40.2 33.6 24.0 20 20 A K E -D 13 0B 46 -7,-2.1 -7,-3.0 -2,-0.4 2,-0.4 -0.953 36.5-116.0-146.6 161.4 36.7 34.4 22.7 21 21 A E E +D 12 0B 100 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.884 37.5 178.7-102.6 138.6 33.1 34.3 23.8 22 22 A A E -D 11 0B 0 -11,-2.4 -11,-2.6 -2,-0.4 2,-0.5 -0.969 27.5-116.4-144.3 153.0 30.8 31.9 22.0 23 23 A L E -Df 10 84B 6 60,-3.0 62,-3.3 -2,-0.3 2,-0.9 -0.775 19.8-133.8 -97.6 122.9 27.2 30.8 22.2 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.1 -0.676 36.2-173.7 -75.1 108.6 26.3 27.2 23.1 25 25 A D > + 0 0 0 60,-2.7 3,-1.5 -2,-0.9 62,-0.3 -0.850 29.2 179.0-124.6 98.3 23.7 26.7 20.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.684 86.3 62.0 -70.1 -17.8 21.6 23.5 20.1 27 27 A G T 3 S+ 0 0 1 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.311 88.2 88.2 -88.7 7.8 19.9 24.9 17.0 28 28 A A < - 0 0 0 -3,-1.5 59,-3.1 173,-0.3 60,-0.2 -0.942 54.4-167.9-110.7 121.2 23.1 25.0 15.1 29 29 A D S S+ 0 0 35 -2,-0.5 59,-1.0 57,-0.2 2,-0.2 0.877 79.2 39.8 -63.6 -39.2 24.3 21.9 13.1 30 30 A D S S- 0 0 54 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.664 82.2-115.8-116.6 162.2 27.7 23.6 12.7 31 31 A T - 0 0 0 43,-0.4 45,-2.8 -2,-0.2 2,-0.4 -0.885 35.5-175.8 -97.8 125.5 30.2 25.7 14.6 32 32 A V E -gH 76 84B 0 52,-1.3 52,-3.0 -2,-0.5 2,-0.3 -0.983 3.8-172.1-131.8 120.7 30.6 29.2 13.1 33 33 A L E -g 77 0B 0 43,-3.3 45,-2.4 -2,-0.4 47,-0.3 -0.809 32.4 -96.2-111.2 152.8 33.1 31.8 14.3 34 34 A E - 0 0 84 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.186 68.3 -63.0 -58.2 157.3 33.5 35.5 13.4 35 35 A E S S+ 0 0 147 43,-0.4 2,-0.3 45,-0.2 -1,-0.2 -0.147 80.3 138.3 -50.2 128.1 36.1 36.2 10.7 36 36 A M - 0 0 33 -3,-0.2 2,-0.4 2,-0.0 -3,-0.0 -0.959 53.6 -91.9-159.5 170.1 39.6 35.3 12.0 37 37 A N + 0 0 147 -2,-0.3 0, 0.0 -21,-0.0 0, 0.0 -0.778 40.8 172.3 -91.0 136.9 42.8 33.6 11.1 38 38 A L - 0 0 15 -2,-0.4 4,-0.1 2,-0.2 -2,-0.0 -0.989 34.1-106.2-139.3 146.8 43.3 29.9 11.6 39 39 A P S S+ 0 0 100 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.279 76.0 35.7 -68.8 157.3 46.1 27.6 10.5 40 40 A G S S- 0 0 63 19,-0.1 2,-0.4 2,-0.0 -2,-0.2 -0.171 95.2 -47.2 95.5 175.8 45.6 25.1 7.6 41 41 A K - 0 0 200 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.715 52.2-154.7 -89.4 127.2 43.8 25.0 4.3 42 42 A W - 0 0 94 -2,-0.4 17,-0.2 17,-0.1 34,-0.0 -0.721 5.4-141.2-101.6 155.0 40.1 26.0 4.3 43 43 A K E -I 58 0B 45 15,-1.9 15,-3.1 -2,-0.3 2,-0.1 -0.950 25.0-115.7-111.7 129.9 37.4 25.0 1.9 44 44 A P E +I 57 0B 108 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.444 47.4 160.9 -62.8 137.8 34.8 27.5 0.7 45 45 A K E -I 56 0B 31 11,-2.2 11,-3.0 -2,-0.1 2,-0.4 -0.956 31.4-135.1-149.2 166.4 31.3 26.6 1.9 46 46 A M E -I 55 0B 128 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.976 17.7-175.0-126.1 141.4 27.9 28.1 2.3 47 47 A I E -I 54 0B 14 7,-2.0 7,-2.6 -2,-0.4 2,-0.3 -0.958 10.1-148.9-130.5 153.7 25.5 27.7 5.3 48 48 A G E +I 53 0B 12 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.932 24.7 145.2-126.9 149.6 22.0 29.0 5.9 49 49 A G E > -I 52 0B 9 3,-2.3 3,-1.4 -2,-0.3 2,-0.3 -0.600 64.6 -29.9-145.0-150.1 19.8 30.1 8.8 50 50 A I T 3 S+ 0 0 14 151,-0.5 101,-1.7 1,-0.2 102,-0.6 -0.618 132.2 30.3 -73.2 135.4 17.1 32.6 9.3 51 51 A G T 3 S- 0 0 30 -2,-0.3 2,-0.3 100,-0.2 -1,-0.2 0.256 122.3 -91.8 94.8 -12.9 17.7 35.5 7.0 52 52 A G E < -I 49 0B 24 -3,-1.4 -3,-2.3 100,-0.1 2,-0.3 -0.746 63.0 -22.4 115.1-152.9 19.4 33.3 4.3 53 53 A F E -I 48 0B 148 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.693 42.4-169.3-106.8 149.6 22.8 32.0 3.4 54 54 A I E -I 47 0B 22 -7,-2.6 -7,-2.0 -2,-0.3 2,-0.5 -0.924 26.5-113.0-129.8 160.1 26.3 33.2 4.0 55 55 A K E +I 46 0B 165 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.798 40.5 175.3 -92.3 130.6 29.8 32.3 2.7 56 56 A V E -I 45 0B 6 -11,-3.0 -11,-2.2 -2,-0.5 2,-0.5 -0.828 32.4-119.7-130.5 168.2 32.2 30.7 5.1 57 57 A R E -IJ 44 77B 109 20,-2.8 20,-2.2 -2,-0.3 2,-0.7 -0.962 28.4-143.4-109.2 119.4 35.6 29.1 5.3 58 58 A Q E -IJ 43 76B 61 -15,-3.1 -15,-1.9 -2,-0.5 2,-0.5 -0.782 17.6-175.8 -92.2 117.6 35.6 25.5 6.5 59 59 A Y E - J 0 75B 10 16,-2.8 16,-2.9 -2,-0.7 3,-0.3 -0.936 13.6-149.1-107.0 130.1 38.6 24.5 8.6 60 60 A D E + 0 0 86 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.668 66.0 11.6 -99.8 153.2 38.7 20.8 9.7 61 61 A Q E S+ 0 0 159 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.868 77.1 164.0 56.6 47.7 40.2 19.2 12.8 62 62 A I E - J 0 73B 17 11,-2.7 11,-2.1 -3,-0.3 2,-0.3 -0.848 34.3-130.5 -98.8 121.5 40.6 22.4 14.8 63 63 A P E + J 0 72B 82 0, 0.0 -47,-0.6 0, 0.0 2,-0.3 -0.557 30.8 172.5 -69.0 131.2 41.2 22.1 18.6 64 64 A I E -EJ 15 71B 3 7,-2.6 7,-2.3 -2,-0.3 2,-0.6 -0.993 25.3-145.6-134.0 137.1 39.0 24.3 20.8 65 65 A E E -EJ 14 70B 76 -51,-2.3 -51,-2.1 -2,-0.3 2,-0.7 -0.914 19.0-164.4 -99.6 116.6 38.7 24.3 24.6 66 66 A I E > -EJ 13 69B 0 3,-3.2 3,-1.5 -2,-0.6 -53,-0.2 -0.896 68.7 -31.4-110.1 107.8 35.1 25.1 25.5 67 67 A C T 3 S- 0 0 59 -55,-2.1 -1,-0.2 -2,-0.7 -54,-0.1 0.894 128.5 -43.1 49.4 46.6 34.6 26.1 29.1 68 68 A G T 3 S+ 0 0 53 -56,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.459 118.1 111.0 84.1 3.6 37.4 23.7 30.2 69 69 A H E < - 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