==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 12-AUG-05 2AOJ . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (B . AUTHOR Y.TIE,P.I.BOROSS,Y.F.WANG,L.GADDIS,F.LIU,X.CHEN,J.TOZSER, . 208 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 37.0 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 2.9 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 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 . 2 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 4 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 0 1 1 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 87 0, 0.0 198,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 179.7 -0.3 38.8 18.1 2 2 A Q E -A 198 0A 127 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.977 360.0-162.3-116.9 109.9 -0.1 36.4 21.0 3 3 A I E -A 197 0A 33 194,-3.0 194,-2.1 -2,-0.5 2,-0.1 -0.847 5.1-150.4 -96.8 116.9 0.8 32.9 19.9 4 4 A T - 0 0 64 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.372 13.1-133.8 -76.6 166.9 0.1 30.0 22.3 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.106 74.0 109.7-119.0 22.0 2.3 27.0 22.2 6 6 A W S S+ 0 0 192 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.803 94.1 24.8 -60.6 -29.0 -0.2 24.2 22.2 7 7 A K S S- 0 0 158 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.826 111.5 -72.0-125.2 165.8 1.0 23.7 18.5 8 8 A R - 0 0 107 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.426 49.2-119.0 -61.4 134.4 4.2 24.6 16.7 9 9 A P + 0 0 5 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.515 50.6 166.5 -78.1 76.1 4.4 28.4 16.2 10 10 A L E +D 23 0B 68 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.765 7.8 173.7 -95.6 137.5 4.4 28.3 12.4 11 11 A V E -D 22 0B 21 11,-2.8 11,-2.5 -2,-0.4 2,-0.4 -0.889 34.3-101.7-135.6 166.0 3.9 31.4 10.4 12 12 A T E -D 21 0B 89 -2,-0.3 55,-2.3 9,-0.2 2,-0.3 -0.754 39.4-172.9 -89.1 135.0 4.0 32.5 6.7 13 13 A I E -DE 20 66B 1 7,-3.3 7,-2.7 -2,-0.4 2,-0.5 -0.905 19.1-144.3-124.6 155.0 7.1 34.4 5.6 14 14 A K E +DE 19 65B 108 51,-2.1 51,-2.7 -2,-0.3 2,-0.3 -0.992 30.6 159.2-117.8 123.1 8.1 36.1 2.4 15 15 A I E > -DE 18 64B 2 3,-2.4 3,-1.9 -2,-0.5 49,-0.1 -0.989 65.7 -5.2-146.7 132.0 11.8 35.9 1.4 16 16 A G T 3 S- 0 0 47 47,-0.6 21,-0.1 -2,-0.3 3,-0.1 0.846 129.4 -56.4 54.0 32.7 13.5 36.4 -1.9 17 17 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.513 116.2 109.8 81.9 5.3 10.1 36.8 -3.6 18 18 A Q E < -D 15 0B 76 -3,-1.9 -3,-2.4 2,-0.0 2,-0.4 -0.917 65.2-129.8-117.8 142.8 8.8 33.4 -2.3 19 19 A L E +D 14 0B 133 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.786 36.6 169.3 -84.5 133.6 6.2 32.5 0.3 20 20 A K E -D 13 0B 29 -7,-2.7 -7,-3.3 -2,-0.4 2,-0.4 -0.943 33.3-122.5-137.7 159.5 7.4 29.9 2.8 21 21 A E E +D 12 0B 129 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.848 37.3 177.0 -98.7 140.5 6.3 28.4 6.1 22 22 A A E -D 11 0B 0 -11,-2.5 -11,-2.8 -2,-0.4 2,-0.5 -0.985 28.9-119.2-148.5 155.8 8.6 28.8 9.1 23 23 A L E -Df 10 84B 6 60,-2.9 62,-3.2 -2,-0.3 2,-0.7 -0.821 22.3-132.4 -97.6 127.1 8.9 28.1 12.8 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.2 -0.740 34.4-173.0 -78.7 112.7 9.4 30.9 15.3 25 25 A D > - 0 0 0 60,-2.7 3,-1.5 -2,-0.7 62,-0.3 -0.893 27.4-179.8-124.5 99.8 12.3 29.5 17.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.665 87.2 62.0 -69.8 -15.0 13.5 31.2 20.4 27 27 A G T 3 S+ 0 0 6 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.270 88.7 88.3 -93.1 12.1 16.1 28.5 20.9 28 28 A A < - 0 0 0 -3,-1.5 59,-3.1 176,-0.3 176,-0.3 -0.941 58.0-163.1-112.6 126.3 17.8 29.4 17.5 29 29 A D S S+ 0 0 22 174,-2.3 59,-1.1 -2,-0.5 2,-0.2 0.858 77.8 32.5 -66.9 -35.3 20.5 32.0 17.3 30 30 A D S S- 0 0 24 173,-0.2 2,-0.5 57,-0.2 57,-0.2 -0.690 82.1-108.1-123.5 166.0 20.1 32.4 13.6 31 31 A T - 0 0 1 43,-0.5 45,-2.8 -2,-0.2 2,-0.4 -0.886 36.8-172.8 -98.4 124.0 17.5 32.2 10.8 32 32 A V E -gH 76 84B 0 52,-1.6 52,-3.2 -2,-0.5 2,-0.3 -0.987 1.9-173.3-132.0 123.4 17.9 29.0 8.7 33 33 A I E -g 77 0B 0 43,-2.9 45,-2.2 -2,-0.4 3,-0.2 -0.896 28.8-104.9-121.5 144.0 16.0 28.4 5.5 34 34 A E - 0 0 82 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.094 69.1 -53.4 -57.8 163.6 15.8 25.4 3.2 35 35 A E S S+ 0 0 110 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.153 80.4 134.4 -49.3 126.9 17.7 25.5 -0.1 36 36 A M - 0 0 15 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.940 55.2 -96.5-160.7 160.5 16.7 28.6 -2.2 37 37 A S + 0 0 95 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.691 39.0 177.9 -87.7 143.9 18.5 31.2 -4.2 38 38 A L - 0 0 16 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.977 28.4-107.3-134.4 151.3 19.3 34.6 -2.6 39 39 A P S S+ 0 0 95 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.431 70.5 28.6 -77.3 154.4 21.2 37.5 -4.0 40 40 A G S S- 0 0 63 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.247 93.6 -37.9 98.8-178.3 24.7 38.7 -3.1 41 41 A R - 0 0 238 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.327 56.2-170.8 -75.0 156.5 27.9 37.2 -1.8 42 42 A W E -I 59 0B 126 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.949 12.6-150.5-143.6 165.0 27.9 34.4 0.7 43 43 A K E -I 58 0B 122 15,-1.2 15,-3.3 -2,-0.3 2,-0.1 -0.981 28.1-106.7-136.2 149.7 30.3 32.5 2.9 44 44 A P E +I 57 0B 82 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.459 40.1 177.8 -76.2 147.1 30.2 28.9 4.2 45 45 A K E -I 56 0B 34 11,-2.1 11,-3.0 -2,-0.1 2,-0.5 -0.979 25.8-135.5-145.3 150.3 29.4 28.4 7.9 46 46 A M E -I 55 0B 101 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.941 24.6-175.8-105.6 127.8 28.9 25.4 10.2 47 47 A I E -I 54 0B 0 7,-2.5 7,-2.3 -2,-0.5 2,-0.3 -0.936 10.5-147.5-120.6 148.2 26.0 25.7 12.6 48 48 A G E +Ij 53 203B 0 154,-2.0 156,-3.1 -2,-0.4 2,-0.3 -0.735 22.7 157.4-112.6 158.6 25.1 23.1 15.3 49 49 A G E > -I 52 0B 4 3,-2.2 3,-1.5 -2,-0.3 100,-0.1 -0.839 61.7 -48.4-157.1-161.2 21.8 22.0 16.8 50 50 A I T 3 S+ 0 0 11 154,-0.4 3,-0.1 156,-0.4 103,-0.1 0.751 132.1 35.0 -58.1 -31.0 20.5 19.0 18.6 51 51 A G T 3 S- 0 0 25 1,-0.3 2,-0.3 101,-0.2 -1,-0.3 0.145 122.1 -82.5-107.4 11.1 21.9 16.2 16.3 52 52 A G E < -I 49 0B 28 -3,-1.5 -3,-2.2 100,-0.1 2,-0.3 -0.914 66.6 -35.6 127.1-152.3 25.3 17.8 15.3 53 53 A F E -I 48 0B 116 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.746 37.2-165.4-112.2 154.8 26.3 20.3 12.6 54 54 A I E -I 47 0B 22 -7,-2.3 -7,-2.5 -2,-0.3 2,-0.4 -0.969 24.5-120.5-131.3 153.9 25.3 21.2 9.1 55 55 A K E +I 46 0B 137 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.774 38.4 174.0 -89.3 134.2 27.1 23.4 6.6 56 56 A V E -I 45 0B 4 -11,-3.0 -11,-2.1 -2,-0.4 2,-0.5 -0.855 33.9-113.8-135.0 169.6 25.2 26.4 5.3 57 57 A R E -IK 44 77B 52 20,-2.5 20,-2.3 -2,-0.3 2,-0.6 -0.940 29.4-145.2-102.6 126.4 25.6 29.5 3.1 58 58 A Q E -IK 43 76B 33 -15,-3.3 -15,-1.2 -2,-0.5 2,-0.4 -0.853 17.1-175.3 -96.4 121.1 25.5 32.8 5.0 59 59 A Y E -IK 42 75B 11 16,-2.6 16,-2.5 -2,-0.6 3,-0.3 -0.944 14.0-141.9-110.9 138.1 23.9 35.8 3.2 60 60 A D E + 0 0 85 -19,-0.5 14,-0.2 -2,-0.4 13,-0.0 -0.610 68.3 15.0-101.2 160.9 23.8 39.3 4.7 61 61 A Q E S+ 0 0 144 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.872 76.4 163.2 52.6 48.2 21.3 42.1 4.7 62 62 A I E - K 0 73B 13 11,-2.9 11,-2.4 -3,-0.3 2,-0.5 -0.797 31.5-137.7 -96.7 136.8 18.4 40.0 3.6 63 63 A I E - K 0 72B 76 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.828 22.6-178.9 -95.8 128.9 14.8 41.3 4.0 64 64 A I E -EK 15 71B 0 7,-2.5 7,-2.0 -2,-0.5 2,-0.6 -0.973 21.7-143.8-121.0 141.3 12.2 38.9 5.3 65 65 A E E -EK 14 70B 86 -51,-2.7 -51,-2.1 -2,-0.4 2,-0.6 -0.926 21.0-163.1 -99.4 121.3 8.5 39.7 5.9 66 66 A I E > -EK 13 69B 0 3,-3.6 3,-2.5 -2,-0.6 -53,-0.2 -0.930 66.0 -36.1-116.5 111.9 7.4 37.6 8.9 67 67 A A T 3 S- 0 0 44 -55,-2.3 -1,-0.2 -2,-0.6 -54,-0.1 0.849 130.0 -38.9 41.9 45.8 3.7 37.2 9.5 68 68 A G T 3 S+ 0 0 58 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.336 120.0 108.3 97.5 -8.8 3.2 40.7 8.1 69 69 A H E < - K 0 66B 70 -3,-2.5 -3,-3.6 2,-0.0 2,-0.2 -0.932 59.2-140.6-110.7 122.0 6.2 42.3 9.8 70 70 A K E + K 0 65B 148 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.2 -0.454 27.6 164.1 -78.7 142.8 9.4 43.3 7.8 71 71 A A E - K 0 64B 8 -7,-2.0 -7,-2.5 -2,-0.2 2,-0.4 -0.975 22.4-143.8-151.7 158.1 12.9 42.8 9.2 72 72 A I E + K 0 63B 66 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.973 40.6 94.4-130.6 140.1 16.4 42.7 7.8 73 73 A G E - 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