==== 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 30-AUG-05 2AVQ . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (B . AUTHOR F.LIU,P.I.BOROSS,Y.F.WANG,J.TOZSER,J.M.LOUIS,R.W.HARRISON,I. . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9796.0 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 . 12 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 36.7 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 . 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 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 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 85 0, 0.0 198,-2.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 159.4 -0.1 39.0 18.0 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.972 360.0-161.0-104.9 119.3 -0.1 36.8 21.1 3 3 A I E -A 197 0A 32 194,-3.6 194,-2.5 -2,-0.6 2,-0.1 -0.909 2.5-153.0-108.5 115.7 0.9 33.3 20.1 4 4 A T - 0 0 64 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.390 14.7-132.0 -77.8 168.4 0.0 30.5 22.5 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.138 73.3 109.5-118.2 22.1 2.1 27.4 22.4 6 6 A W S S+ 0 0 194 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.805 92.6 23.7 -63.4 -31.5 -0.5 24.6 22.4 7 7 A K S S- 0 0 160 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.822 110.8 -70.8-125.2 168.1 0.6 23.9 18.8 8 8 A R - 0 0 135 -2,-0.3 2,-1.8 1,-0.1 119,-0.1 -0.379 50.7-117.9 -58.5 134.4 3.9 24.7 16.9 9 9 A P + 0 0 4 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.515 49.3 168.1 -81.2 80.0 4.2 28.4 16.3 10 10 A L E +D 23 0B 96 -2,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.775 7.0 173.9 -96.3 138.5 4.2 28.4 12.6 11 11 A V E -D 22 0B 15 11,-2.7 11,-2.6 -2,-0.4 2,-0.4 -0.902 34.2-103.2-135.6 163.0 3.8 31.6 10.5 12 12 A T E -D 21 0B 63 -2,-0.3 55,-2.7 9,-0.2 2,-0.3 -0.778 38.7-173.5 -86.6 136.1 4.0 32.6 6.9 13 13 A I E -DE 20 66B 1 7,-3.1 7,-2.3 -2,-0.4 2,-0.4 -0.851 18.2-146.3-121.4 158.2 7.1 34.3 5.7 14 14 A K E +DE 19 65B 98 51,-2.1 51,-2.5 -2,-0.3 2,-0.3 -0.996 29.2 159.9-124.9 123.8 8.1 36.0 2.5 15 15 A I E > -DE 18 64B 1 3,-2.3 3,-2.3 -2,-0.4 49,-0.1 -0.990 66.0 -2.8-144.9 132.9 11.8 35.7 1.5 16 16 A G T 3 S- 0 0 49 47,-0.6 21,-0.1 -2,-0.3 3,-0.1 0.808 129.9 -56.7 55.9 32.6 13.4 36.1 -1.9 17 17 A G T 3 S+ 0 0 64 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.460 116.6 110.2 79.0 3.8 10.0 36.7 -3.4 18 18 A Q E < -D 15 0B 78 -3,-2.3 -3,-2.3 2,-0.0 2,-0.4 -0.885 62.9-133.5-115.5 141.6 8.7 33.3 -2.1 19 19 A L E +D 14 0B 125 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.754 34.6 164.6 -88.4 136.2 6.1 32.5 0.5 20 20 A K E -D 13 0B 27 -7,-2.3 -7,-3.1 -2,-0.4 2,-0.4 -0.947 36.3-116.8-141.5 162.9 7.1 29.8 3.0 21 21 A E E +D 12 0B 108 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.864 38.2 179.5 -97.8 142.4 6.0 28.5 6.3 22 22 A A E -D 11 0B 1 -11,-2.6 -11,-2.7 -2,-0.4 2,-0.5 -0.978 26.9-119.4-147.7 155.4 8.4 28.8 9.2 23 23 A L E -Df 10 84B 14 60,-2.8 62,-3.1 -2,-0.3 2,-0.7 -0.808 21.5-132.1 -94.5 126.2 8.7 28.0 12.9 24 24 A L E - f 0 85B 1 -15,-2.8 2,-0.6 -2,-0.5 62,-0.2 -0.729 33.8-174.6 -79.2 111.7 9.3 30.8 15.4 25 25 A D > - 0 0 2 60,-2.7 3,-1.9 -2,-0.7 62,-0.3 -0.867 26.5-179.4-123.3 95.9 12.2 29.3 17.5 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.690 87.5 63.6 -64.6 -17.7 13.4 31.0 20.6 27 27 A G T 3 S+ 0 0 1 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.334 87.6 85.5 -85.0 4.6 15.9 28.2 20.9 28 28 A A < - 0 0 0 -3,-1.9 59,-3.1 57,-0.2 60,-0.2 -0.934 56.8-164.7-110.9 125.7 17.6 29.1 17.6 29 29 A D S S+ 0 0 38 -2,-0.5 59,-1.1 57,-0.2 2,-0.3 0.833 78.5 34.6 -67.7 -35.4 20.4 31.7 17.5 30 30 A D S S- 0 0 36 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.734 83.4-109.7-122.6 163.3 20.1 31.9 13.7 31 31 A T - 0 0 1 43,-0.5 45,-2.7 -2,-0.3 2,-0.4 -0.858 33.7-169.5 -98.1 129.2 17.4 31.7 10.9 32 32 A V E -gH 76 84B 0 52,-2.0 52,-3.0 -2,-0.4 2,-0.3 -0.990 4.0-175.6-132.8 121.3 17.7 28.6 8.8 33 33 A I E -g 77 0B 0 43,-2.9 45,-2.2 -2,-0.4 47,-0.2 -0.889 29.7-104.9-120.0 145.5 15.7 28.1 5.5 34 34 A E - 0 0 80 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.092 68.3 -53.4 -58.8 164.9 15.4 25.1 3.2 35 35 A E S S+ 0 0 114 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.117 80.4 133.4 -54.5 129.8 17.3 25.3 -0.1 36 36 A M - 0 0 16 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.943 55.5 -92.9-164.0 162.8 16.5 28.4 -2.2 37 37 A S + 0 0 98 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.728 40.1 176.9 -85.0 140.2 18.3 31.0 -4.1 38 38 A L - 0 0 12 -2,-0.3 2,-0.1 2,-0.1 24,-0.0 -0.969 28.7-107.8-137.1 154.5 19.3 34.3 -2.4 39 39 A P S S+ 0 0 93 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.393 71.0 27.7 -76.9 155.7 21.3 37.3 -3.7 40 40 A G S S- 0 0 39 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.201 93.3 -39.9 95.6 179.9 24.8 38.2 -2.8 41 41 A R - 0 0 218 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.375 55.1-166.3 -77.7 155.5 28.0 36.5 -1.6 42 42 A W E -I 59 0B 132 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.943 11.6-155.6-138.5 166.9 27.8 33.7 0.9 43 43 A K E -I 58 0B 112 15,-1.3 15,-3.1 -2,-0.3 2,-0.1 -0.980 30.6-102.6-138.6 150.8 30.2 31.7 3.2 44 44 A P E +I 57 0B 89 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.412 37.4 178.5 -76.0 154.0 29.8 28.2 4.6 45 45 A K E -I 56 0B 80 11,-2.2 11,-2.9 -2,-0.1 2,-0.5 -0.981 22.8-140.1-145.9 150.0 28.8 27.5 8.1 46 46 A M E -I 55 0B 123 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.975 23.0-173.0-109.0 132.3 28.1 24.4 10.2 47 47 A I E -I 54 0B 1 7,-2.4 7,-2.4 -2,-0.5 2,-0.3 -0.958 4.2-159.8-127.6 142.8 25.2 24.6 12.6 48 48 A G E +I 53 0B 0 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.845 24.7 129.6-124.2 158.4 24.2 22.1 15.2 49 49 A G E > -I 52 0B 6 3,-2.0 3,-2.3 -2,-0.3 2,-0.1 -0.814 67.5 -7.0-169.3-149.5 21.3 21.0 17.3 50 50 A V T 3 S+ 0 0 9 1,-0.3 101,-2.0 -2,-0.2 102,-0.8 -0.427 134.0 20.2 -61.1 129.6 19.4 17.8 18.2 51 51 A G T 3 S- 0 0 30 128,-0.3 2,-0.3 100,-0.2 -1,-0.3 0.352 121.0 -91.1 90.4 -7.5 20.9 15.1 16.0 52 52 A G E < -I 49 0B 28 -3,-2.3 -3,-2.0 100,-0.1 2,-0.3 -0.771 65.1 -21.6 109.0-148.0 24.2 17.0 15.2 53 53 A F E -I 48 0B 128 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.729 36.3-168.6-114.0 152.6 25.3 19.4 12.5 54 54 A I E -I 47 0B 23 -7,-2.4 -7,-2.4 -2,-0.3 2,-0.4 -0.954 26.8-119.5-130.8 153.4 24.4 20.4 9.0 55 55 A K E +I 46 0B 152 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.775 38.4 173.7 -93.2 134.0 26.3 22.5 6.5 56 56 A V E -I 45 0B 4 -11,-2.9 -11,-2.2 -2,-0.4 2,-0.5 -0.861 32.8-113.4-133.8 166.8 24.6 25.7 5.3 57 57 A R E -IJ 44 77B 51 20,-2.6 20,-2.4 -2,-0.3 2,-0.6 -0.928 28.3-142.0-104.4 128.6 25.3 28.8 3.3 58 58 A Q E -IJ 43 76B 27 -15,-3.1 -15,-1.3 -2,-0.5 2,-0.4 -0.844 19.6-178.5 -96.5 118.9 25.3 32.1 5.1 59 59 A Y E -IJ 42 75B 12 16,-2.7 16,-2.6 -2,-0.6 3,-0.3 -0.932 13.1-148.5-112.6 139.6 23.8 35.2 3.3 60 60 A D E + 0 0 79 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.0 -0.670 66.9 22.3-106.8 162.0 23.8 38.6 4.9 61 61 A Q E S+ 0 0 151 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.871 76.2 160.2 54.9 46.6 21.5 41.5 4.7 62 62 A I E - J 0 73B 9 11,-2.7 11,-2.0 -3,-0.3 2,-0.4 -0.820 33.6-137.7 -98.5 132.3 18.5 39.5 3.6 63 63 A I E + J 0 72B 108 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.770 23.6 179.5 -90.1 133.1 15.0 41.0 4.1 64 64 A I E -EJ 15 71B 0 7,-2.8 7,-2.4 -2,-0.4 2,-0.6 -0.979 22.8-144.6-124.5 144.1 12.3 38.7 5.3 65 65 A E E -EJ 14 70B 67 -51,-2.5 -51,-2.1 -2,-0.4 2,-0.6 -0.964 20.4-167.1-102.3 121.6 8.6 39.5 6.0 66 66 A I E > -EJ 13 69B 0 3,-3.0 3,-2.4 -2,-0.6 -53,-0.2 -0.953 69.6 -30.7-117.2 111.2 7.5 37.4 9.1 67 67 A A T 3 S- 0 0 42 -55,-2.7 -1,-0.2 -2,-0.6 -54,-0.1 0.860 129.2 -44.0 47.0 39.0 3.8 37.3 9.7 68 68 A G T 3 S+ 0 0 53 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.397 118.2 110.1 94.5 -8.7 3.5 40.8 8.1 69 69 A H E < - J 0 66B 66 -3,-2.4 -3,-3.0 2,-0.0 2,-0.2 -0.927 60.5-137.7-109.4 124.6 6.5 42.3 9.9 70 70 A K E + J 0 65B 163 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.532 28.0 166.2 -84.1 140.5 9.7 43.2 8.0 71 71 A A E - J 0 64B 8 -7,-2.4 -7,-2.8 -2,-0.2 2,-0.4 -0.977 21.4-147.1-145.7 154.7 13.2 42.4 9.3 72 72 A I E + J 0 63B 72 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.977 40.7 100.0-125.7 142.8 16.7 42.3 7.8 73 73 A G E - 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