==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-AUG-05 2AVS . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR F.LIU,P.I.BOROSS,Y.F.WANG,J.TOZSER,J.M.LOUIS,R.W.HARRISON, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10129.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 64.6 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 . 22 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.6 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 92 0, 0.0 198,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 165.2 13.8 14.2 29.2 2 2 A Q E -A 198 0A 127 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.989 360.0-163.6-124.1 134.5 17.4 14.4 27.8 3 3 A I E -A 197 0A 35 194,-3.0 194,-2.7 -2,-0.4 2,-0.1 -0.979 7.2-150.9-122.7 119.2 18.1 15.3 24.2 4 4 A T - 0 0 65 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.310 15.4-130.4 -78.1 172.5 21.5 14.6 22.6 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.168 73.3 109.8-120.9 20.0 22.8 16.7 19.8 6 6 A W S S+ 0 0 173 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.819 94.6 18.8 -61.9 -33.3 23.9 14.1 17.2 7 7 A K S S- 0 0 152 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.843 113.4 -66.4-127.4 170.1 20.9 15.4 15.1 8 8 A R - 0 0 122 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.323 53.2-118.3 -55.5 135.0 18.9 18.6 15.3 9 9 A P + 0 0 3 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.504 48.8 170.8 -83.2 79.2 16.9 18.6 18.6 10 10 A L E +D 23 0B 65 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.740 6.2 171.8 -91.8 136.7 13.4 18.6 17.1 11 11 A V E -D 22 0B 21 11,-2.7 11,-2.7 -2,-0.4 2,-0.4 -0.904 36.4 -97.4-134.1 167.0 10.3 18.1 19.2 12 12 A T E -D 21 0B 88 -2,-0.3 55,-2.6 9,-0.2 56,-0.3 -0.724 40.2-174.1 -86.4 137.0 6.5 18.4 18.6 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.4 -2,-0.4 2,-0.4 -0.841 17.7-144.2-122.8 158.9 4.8 21.6 19.7 14 14 A K E +DE 19 65B 97 51,-2.2 51,-2.4 -2,-0.3 2,-0.3 -0.995 30.8 155.9-123.5 125.8 1.2 22.7 19.8 15 15 A I E > +DE 18 64B 2 3,-2.5 3,-2.1 -2,-0.4 49,-0.1 -0.990 65.8 0.7-150.1 134.0 0.4 26.3 18.9 16 16 A G T 3 S- 0 0 52 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.770 129.9 -57.5 63.0 22.9 -2.8 27.9 17.6 17 17 A G T 3 S+ 0 0 73 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.544 116.9 108.0 81.8 10.3 -4.5 24.5 17.7 18 18 A Q E < -D 15 0B 96 -3,-2.1 -3,-2.5 2,-0.0 2,-0.4 -0.923 64.5-131.6-124.1 144.4 -1.9 22.9 15.4 19 19 A L E +D 14 0B 120 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.773 34.9 166.4 -91.8 136.2 0.9 20.4 15.9 20 20 A K E -D 13 0B 49 -7,-2.4 -7,-3.0 -2,-0.4 2,-0.4 -0.937 36.2-115.2-139.6 164.4 4.3 21.3 14.4 21 21 A E E +D 12 0B 125 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.879 39.7 178.0-101.6 138.2 7.9 20.2 14.7 22 22 A A E -D 11 0B 0 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.5 -0.972 28.0-116.2-145.2 155.3 10.3 22.7 16.1 23 23 A L E -Df 10 84B 6 60,-3.0 62,-3.1 -2,-0.3 2,-0.8 -0.771 20.6-133.5 -94.5 126.4 14.0 23.1 17.0 24 24 A L E - f 0 85B 2 -15,-2.6 2,-0.6 -2,-0.5 62,-0.2 -0.723 35.1-173.2 -79.4 111.1 15.0 23.6 20.7 25 25 A D > + 0 0 14 60,-2.8 3,-1.4 -2,-0.8 62,-0.3 -0.848 28.1 179.4-125.0 95.7 17.5 26.4 20.1 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.695 87.2 60.0 -66.2 -20.3 19.7 27.8 22.9 27 27 A G T 3 S+ 0 0 14 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.603 88.4 86.9 -80.0 -14.8 21.3 30.2 20.5 28 28 A A < - 0 0 17 -3,-1.4 59,-3.1 57,-0.2 60,-0.2 -0.760 57.4-164.8 -91.8 126.0 17.9 31.9 19.7 29 29 A D S S+ 0 0 51 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.873 77.5 33.2 -69.3 -36.5 16.8 34.7 22.0 30 30 A D S S- 0 0 61 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.661 83.7-109.0-120.7 169.3 13.2 34.5 20.6 31 31 A T - 0 0 0 43,-0.4 45,-2.6 -2,-0.2 2,-0.5 -0.904 30.8-171.4-107.0 126.8 10.8 32.0 19.3 32 32 A V E -gH 76 84B 7 52,-1.7 52,-3.1 -2,-0.5 2,-0.4 -0.989 1.4-170.9-127.2 120.0 10.1 32.1 15.6 33 33 A I E -g 77 0B 0 43,-3.1 45,-2.1 -2,-0.5 47,-0.2 -0.879 31.4 -99.3-117.0 141.6 7.3 30.0 14.0 34 34 A E E -g 78 0B 85 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.186 65.4 -63.1 -54.4 150.9 6.6 29.5 10.3 35 35 A E S S+ 0 0 88 43,-0.8 2,-0.3 45,-0.1 -1,-0.2 -0.043 71.6 155.9 -41.0 121.8 3.8 31.5 8.8 36 36 A M - 0 0 13 -3,-0.2 2,-1.8 2,-0.0 -3,-0.1 -0.969 50.2-110.9-153.6 150.5 0.5 30.7 10.4 37 37 A S + 0 0 118 -2,-0.3 -2,-0.1 -21,-0.1 40,-0.0 -0.483 44.0 177.5 -87.5 66.0 -2.7 32.6 10.8 38 38 A L - 0 0 13 -2,-1.8 2,-0.0 1,-0.1 -2,-0.0 -0.431 30.0-109.1 -67.1 141.1 -2.7 33.2 14.5 39 39 A P + 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -23,-0.0 -0.299 65.8 9.8 -74.7 155.9 -5.6 35.3 15.8 40 40 A G S S- 0 0 45 -2,-0.0 -2,-0.0 19,-0.0 2,-0.0 -0.199 93.5 -12.5 87.1-169.6 -5.7 38.8 17.1 41 41 A R + 0 0 212 -2,-0.0 19,-0.3 19,-0.0 2,-0.3 -0.227 54.2 171.8 -69.2 157.5 -3.4 41.8 17.3 42 42 A W - 0 0 125 17,-0.1 17,-0.2 -2,-0.0 -2,-0.0 -0.944 24.6-128.0-156.7 166.0 0.4 41.7 16.6 43 43 A K E -I 58 0B 146 15,-1.9 15,-2.8 -2,-0.3 13,-0.1 -0.980 30.0-107.5-125.4 137.3 3.2 44.2 16.3 44 44 A P E +I 57 0B 93 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.336 45.6 171.9 -60.7 142.7 5.7 44.5 13.3 45 45 A K E -I 56 0B 74 11,-2.0 11,-2.6 2,-0.0 2,-0.4 -0.985 27.2-148.7-149.0 153.6 9.2 43.3 14.2 46 46 A M E -I 55 0B 103 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.995 19.1-167.2-123.2 136.3 12.5 42.6 12.5 47 47 A I E -I 54 0B 17 7,-2.2 7,-2.3 -2,-0.4 2,-0.5 -0.957 14.1-130.2-128.3 144.1 14.8 39.9 13.8 48 48 A G E +I 53 0B 53 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.824 25.3 174.3-103.1 126.5 18.5 39.2 13.0 49 49 A G E > -I 52 0B 19 3,-3.0 3,-0.9 -2,-0.5 102,-0.1 -0.436 54.3 -78.3-107.3-172.4 19.8 35.8 12.2 50 50 A V T 3 S+ 0 0 32 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.836 131.1 39.4 -59.5 -33.3 23.2 34.6 11.0 51 51 A G T 3 S- 0 0 25 99,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.453 125.0 -76.9-100.1 1.7 22.5 35.9 7.5 52 52 A G E < -I 49 0B 27 -3,-0.9 -3,-3.0 98,-0.6 -1,-0.3 -0.900 66.1 -38.3 131.7-166.3 20.7 39.1 8.2 53 53 A F E -I 48 0B 137 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.644 40.1-166.3-101.7 151.2 17.2 40.3 9.2 54 54 A I E -I 47 0B 26 -7,-2.3 -7,-2.2 -2,-0.3 2,-0.4 -0.938 25.9-112.8-126.8 157.7 13.7 39.0 8.4 55 55 A K E +I 46 0B 161 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.757 42.0 168.2 -89.9 132.7 10.3 40.6 8.9 56 56 A V E -I 45 0B 8 -11,-2.6 -11,-2.0 -2,-0.4 2,-0.5 -0.892 35.5-118.0-138.7 165.0 8.0 38.9 11.4 57 57 A R E -IJ 44 77B 48 20,-2.4 20,-2.4 -2,-0.3 2,-0.7 -0.940 28.1-140.4-103.4 126.1 4.8 39.5 13.3 58 58 A Q E -IJ 43 76B 37 -15,-2.8 -15,-1.9 -2,-0.5 2,-0.5 -0.817 19.1-175.0 -93.1 119.3 5.1 39.6 17.1 59 59 A Y E - J 0 75B 8 16,-2.7 16,-2.7 -2,-0.7 3,-0.3 -0.945 11.4-153.0-111.5 127.8 2.3 38.0 19.0 60 60 A D E + 0 0 91 -2,-0.5 14,-0.2 -19,-0.3 13,-0.1 -0.625 67.7 19.0-101.6 157.2 2.3 38.3 22.8 61 61 A Q E S+ 0 0 142 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.881 78.3 170.1 56.7 43.6 0.9 35.9 25.4 62 62 A I E - J 0 73B 26 11,-2.7 11,-2.4 -3,-0.3 2,-0.4 -0.742 32.8-130.7 -90.7 130.5 0.6 32.9 23.1 63 63 A I E + J 0 72B 130 -2,-0.4 -47,-0.6 9,-0.2 2,-0.3 -0.630 37.3 168.2 -77.8 124.5 -0.2 29.6 24.6 64 64 A I E -EJ 15 71B 2 7,-2.3 7,-1.9 -2,-0.4 2,-0.5 -0.997 27.1-149.6-144.0 139.2 2.2 26.9 23.3 65 65 A E E -EJ 14 70B 58 -51,-2.4 -51,-2.2 -2,-0.3 2,-0.5 -0.952 12.8-166.7-111.7 128.2 3.0 23.3 24.4 66 66 A I E > S-EJ 13 69B 0 3,-2.9 3,-2.3 -2,-0.5 -53,-0.2 -0.962 72.4 -27.0-121.5 112.3 6.6 22.1 23.8 67 67 A A T 3 S- 0 0 38 -55,-2.6 -1,-0.1 -2,-0.5 -54,-0.1 0.894 129.2 -46.0 49.8 41.6 7.2 18.4 24.1 68 68 A G T 3 S+ 0 0 51 -56,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.404 115.5 117.1 86.6 -4.9 4.2 18.1 26.4 69 69 A H E < - J 0 66B 71 -3,-2.3 -3,-2.9 1,-0.0 -1,-0.2 -0.878 58.4-137.9-105.0 121.5 5.2 21.1 28.6 70 70 A K E + J 0 65B 166 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.395 32.7 156.2 -71.0 148.7 2.7 24.1 28.6 71 71 A A E - 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