==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAY-09 2WHH . COMPND 2 MOLECULE: POL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR V.PRASHAR,S.BIHANI,A.DAS,J.L.FERRER,M.V.HOSUR . 202 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 36.6 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 . 21 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 7.9 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 0 5 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 93 0, 0.0 198,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 141.2 27.6 30.5 1.9 2 2 A Q E -A 198 0A 124 196,-0.2 2,-0.3 194,-0.0 196,-0.2 -0.823 360.0-165.1-106.6 151.2 25.1 31.2 -0.9 3 3 A V E -A 197 0A 42 194,-2.2 194,-3.5 -2,-0.3 2,-0.1 -0.975 12.4-145.2-145.4 132.8 24.0 28.3 -3.1 4 4 A T E -A 196 0A 78 -2,-0.3 3,-0.3 192,-0.2 192,-0.2 -0.341 20.8-128.2 -82.7 171.3 22.3 28.1 -6.5 5 5 A L S S+ 0 0 0 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.067 75.4 109.1-114.8 26.1 19.8 25.3 -7.3 6 6 A W S S+ 0 0 168 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.746 91.9 30.5 -72.5 -19.6 21.1 23.9 -10.6 7 7 A Q S S- 0 0 154 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.884 111.0 -79.1-129.5 159.9 22.2 20.9 -8.5 8 8 A R - 0 0 75 -2,-0.3 2,-1.8 1,-0.1 119,-0.1 -0.383 48.4-116.8 -59.1 139.7 20.6 19.4 -5.4 9 9 A P + 0 0 5 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.523 47.7 173.1 -82.0 79.1 21.6 21.5 -2.3 10 10 A L E -D 23 0B 86 -2,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.619 9.0-176.6 -90.1 146.0 23.6 18.8 -0.4 11 11 A V E -D 22 0B 13 11,-2.5 11,-2.4 -2,-0.3 2,-0.4 -0.943 28.9-114.0-136.1 157.5 25.6 19.5 2.7 12 12 A T E -D 21 0B 81 -2,-0.3 55,-2.9 9,-0.2 56,-0.3 -0.780 38.1-174.6 -91.5 135.7 27.8 17.4 4.9 13 13 A I E -DE 20 66B 2 7,-3.1 7,-2.6 -2,-0.4 2,-0.4 -0.913 18.6-149.2-128.1 157.2 26.4 17.0 8.4 14 14 A K E +DE 19 65B 89 51,-2.1 51,-2.8 -2,-0.3 2,-0.3 -0.997 28.9 155.7-127.3 127.2 27.7 15.4 11.6 15 15 A I E > +DE 18 64B 2 3,-2.3 3,-2.5 -2,-0.4 49,-0.1 -0.990 64.6 5.7-150.9 137.9 25.2 13.8 14.0 16 16 A G T 3 S- 0 0 41 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.832 129.6 -61.7 57.6 31.5 25.5 11.1 16.6 17 17 A G T 3 S+ 0 0 64 1,-0.2 2,-0.3 21,-0.0 -1,-0.3 0.413 115.6 112.8 74.4 0.8 29.3 11.1 15.9 18 18 A Q E < -D 15 0B 61 -3,-2.5 -3,-2.3 19,-0.1 2,-0.5 -0.766 62.9-131.5-108.5 149.8 28.7 10.0 12.3 19 19 A L E +D 14 0B 131 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.852 36.1 159.0-101.8 133.0 29.2 11.9 9.0 20 20 A K E -D 13 0B 35 -7,-2.6 -7,-3.1 -2,-0.5 2,-0.4 -0.915 37.4-118.1-144.4 167.0 26.4 12.0 6.5 21 21 A E E -D 12 0B 115 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.893 34.0-177.8-107.3 146.7 25.2 14.0 3.5 22 22 A A E -D 11 0B 2 -11,-2.4 -11,-2.5 -2,-0.4 2,-0.5 -0.987 26.3-118.2-145.5 154.1 21.8 15.7 3.6 23 23 A L E -Df 10 84B 4 60,-2.9 62,-3.2 -2,-0.3 2,-0.8 -0.786 22.7-130.8 -95.4 126.9 19.6 17.7 1.4 24 24 A L E - f 0 85B 2 -15,-2.8 2,-0.6 -2,-0.5 62,-0.1 -0.694 35.4-172.0 -74.8 112.9 18.7 21.3 2.4 25 25 A D > - 0 0 0 60,-2.6 3,-2.0 -2,-0.8 62,-0.3 -0.809 25.2-179.6-120.7 96.5 14.9 21.0 1.9 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.711 85.2 62.0 -64.5 -18.6 12.8 24.2 2.2 27 27 A G T 3 S+ 0 0 0 96,-0.1 178,-1.3 81,-0.1 2,-0.5 0.477 89.1 85.1 -86.4 -0.1 9.7 22.2 1.4 28 28 A A < - 0 0 0 -3,-2.0 59,-3.2 176,-0.3 60,-0.2 -0.877 56.2-165.2-107.4 128.8 10.1 20.0 4.6 29 29 A D S S+ 0 0 35 176,-1.7 59,-1.4 -2,-0.5 2,-0.2 0.881 78.7 41.0 -73.8 -35.2 8.8 21.1 7.9 30 30 A D S S- 0 0 38 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.667 81.8-114.7-113.8 166.5 10.9 18.4 9.6 31 31 A T - 0 0 0 43,-0.5 45,-2.7 -2,-0.2 2,-0.4 -0.843 34.6-175.5 -99.5 128.8 14.3 16.9 9.5 32 32 A V E -gH 76 84B 0 52,-1.8 52,-3.0 -2,-0.5 2,-0.3 -0.977 2.7-169.1-133.2 123.1 14.3 13.2 8.5 33 33 A L E -g 77 0B 0 43,-3.3 45,-2.2 -2,-0.4 47,-0.2 -0.844 28.9-102.7-117.0 148.9 17.3 10.9 8.3 34 34 A E - 0 0 80 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.160 66.7 -66.3 -54.5 155.4 17.8 7.5 6.9 35 35 A E S S+ 0 0 113 43,-0.3 2,-0.3 45,-0.2 -1,-0.2 -0.192 78.3 147.3 -49.2 132.6 17.9 4.7 9.5 36 36 A M - 0 0 14 -3,-0.2 2,-0.6 2,-0.0 -3,-0.0 -0.966 51.4 -82.9-161.9 169.1 21.0 5.2 11.6 37 37 A S + 0 0 88 -2,-0.3 -19,-0.1 -21,-0.1 -2,-0.0 -0.739 48.2 162.0 -88.7 116.2 22.3 4.7 15.2 38 38 A L - 0 0 16 -2,-0.6 2,-0.2 2,-0.1 -2,-0.0 -0.968 32.1-124.4-129.4 146.4 21.4 7.5 17.7 39 39 A P + 0 0 102 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.532 62.5 30.5 -89.8 160.9 21.5 7.2 21.5 40 40 A G S S- 0 0 63 -2,-0.2 -2,-0.1 19,-0.0 2,-0.1 -0.271 89.5 -34.7 97.4 179.7 18.6 7.9 23.8 41 41 A R - 0 0 213 -2,-0.1 19,-0.3 19,-0.1 2,-0.3 -0.334 51.3-176.4 -78.8 161.1 14.8 7.7 24.0 42 42 A W - 0 0 94 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.968 20.1-130.0-153.1 161.5 12.5 8.3 21.1 43 43 A K E -I 58 0B 121 15,-1.6 15,-3.4 -2,-0.3 2,-0.2 -0.931 29.9-112.1-118.0 141.6 8.8 8.5 20.4 44 44 A P E +I 57 0B 94 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.519 46.6 172.3 -71.5 137.2 7.0 6.7 17.5 45 45 A K E -I 56 0B 69 11,-2.4 11,-3.1 -2,-0.2 2,-0.4 -0.973 28.0-140.2-147.6 160.4 5.7 9.1 14.9 46 46 A M E -I 55 0B 127 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.987 21.1-179.9-125.6 128.6 4.1 9.2 11.5 47 47 A I E -I 54 0B 8 7,-2.4 7,-2.2 -2,-0.4 2,-0.2 -0.926 12.2-143.3-127.2 154.5 4.9 11.7 8.8 48 48 A G E +I 53 0B 11 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.733 25.1 146.9-116.7 167.9 3.7 12.3 5.3 49 49 A G E > -I 52 0B 3 3,-2.3 3,-1.3 -2,-0.2 2,-0.3 -0.867 62.6 -39.0-166.4-164.5 5.0 13.3 1.9 50 50 A I T 3 S+ 0 0 0 154,-0.5 101,-2.0 151,-0.4 102,-0.7 -0.621 128.9 33.4 -72.3 135.4 4.4 12.6 -1.8 51 51 A G T 3 S- 0 0 27 128,-0.3 2,-0.4 -2,-0.3 102,-0.4 0.037 122.7 -85.8 107.6 -26.5 3.7 8.9 -2.0 52 52 A G E < -I 49 0B 20 -3,-1.3 -3,-2.3 100,-0.2 2,-0.3 -0.985 67.3 -30.2 132.1-135.9 2.0 8.6 1.4 53 53 A F E -I 48 0B 148 -2,-0.4 2,-0.3 98,-0.4 -5,-0.2 -0.824 35.6-164.5-130.4 160.0 3.3 8.1 4.8 54 54 A I E -I 47 0B 19 -7,-2.2 -7,-2.4 -2,-0.3 2,-0.4 -0.986 23.7-122.4-139.1 151.1 6.1 6.5 6.8 55 55 A K E +I 46 0B 106 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.766 37.4 176.4 -91.3 137.3 6.7 5.6 10.5 56 56 A V E -I 45 0B 0 -11,-3.1 -11,-2.4 -2,-0.4 2,-0.5 -0.859 33.0-113.5-135.4 170.1 9.7 7.2 12.1 57 57 A R E -IJ 44 77B 35 20,-3.0 20,-2.4 -2,-0.3 2,-0.7 -0.924 30.6-141.6-104.3 128.6 11.4 7.5 15.5 58 58 A Q E -IJ 43 76B 34 -15,-3.4 -15,-1.6 -2,-0.5 2,-0.5 -0.825 18.3-174.9 -97.0 114.8 11.4 11.0 16.9 59 59 A Y E - J 0 75B 11 16,-2.7 16,-3.0 -2,-0.7 3,-0.3 -0.904 10.0-157.0-106.0 132.2 14.5 12.0 18.7 60 60 A D E + 0 0 66 -2,-0.5 14,-0.2 -19,-0.3 -19,-0.1 -0.655 65.5 21.8-106.3 162.8 14.5 15.4 20.5 61 61 A Q E S+ 0 0 149 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.861 79.2 165.6 53.1 42.3 17.3 17.8 21.5 62 62 A I E - J 0 73B 24 11,-2.8 11,-2.1 -3,-0.3 2,-0.4 -0.782 33.3-135.0 -93.3 133.0 19.7 16.2 19.0 63 63 A L E + J 0 72B 83 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.702 28.8 177.0 -85.7 131.5 22.8 18.1 18.2 64 64 A I E -EJ 15 71B 0 7,-2.9 7,-2.0 -2,-0.4 2,-0.7 -0.999 24.4-148.3-138.5 134.6 23.6 18.3 14.5 65 65 A E E -EJ 14 70B 60 -51,-2.8 -51,-2.1 -2,-0.4 2,-0.6 -0.931 18.0-167.7-103.3 116.2 26.4 20.1 12.7 66 66 A I E > S-EJ 13 69B 0 3,-3.4 3,-2.6 -2,-0.7 -53,-0.2 -0.934 74.2 -27.4-108.4 112.3 25.1 21.2 9.3 67 67 A C T 3 S- 0 0 57 -55,-2.9 -1,-0.2 -2,-0.6 -54,-0.1 0.880 128.8 -49.1 49.6 39.6 27.9 22.4 7.0 68 68 A G T 3 S+ 0 0 64 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.152 116.2 116.8 89.6 -19.6 29.8 23.3 10.1 69 69 A H E < - J 0 66B 69 -3,-2.6 -3,-3.4 1,-0.0 2,-0.3 -0.715 60.9-132.4 -87.8 128.0 27.0 25.2 11.7 70 70 A K E + J 0 65B 153 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.556 30.9 165.2 -84.5 142.3 25.6 23.8 15.0 71 71 A A E - J 0 64B 2 -7,-2.0 -7,-2.9 -2,-0.3 2,-0.4 -0.979 20.6-151.9-148.4 150.4 21.9 23.4 15.6 72 72 A I E + J 0 63B 86 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.998 42.2 93.0-129.0 135.1 19.9 21.5 18.2 73 73 A G E - J 0 62B 11 -11,-2.1 -11,-2.8 -2,-0.4 2,-0.3 -0.983 67.3 -26.7 177.0-164.0 16.5 20.1 17.6 74 74 A T E - 0 0 39 -2,-0.3 -43,-0.5 -13,-0.2 2,-0.4 -0.587 45.2-173.1 -80.4 132.9 14.2 17.3 16.6 75 75 A V E - J 0 59B 0 -16,-3.0 -16,-2.7 -2,-0.3 2,-0.4 -0.990 10.6-151.5-127.1 128.6 15.4 14.7 14.2 76 76 A L E -gJ 32 58B 0 -45,-2.7 -43,-3.3 -2,-0.4 2,-0.5 -0.820 8.7-159.3-101.1 140.0 13.2 12.0 12.8 77 77 A V E +gJ 33 57B 0 -20,-2.4 -20,-3.0 -2,-0.4 -43,-0.2 -0.977 37.4 96.7-122.0 126.5 14.7 8.6 11.8 78 78 A G S S- 0 0 4 -45,-2.2 2,-2.0 -2,-0.5 -43,-0.3 -0.975 78.3 -37.0-178.8-169.9 13.0 6.3 9.3 79 79 A P + 0 0 89 0, 0.0 -45,-0.1 0, 0.0 -23,-0.1 -0.161 68.8 148.3 -71.4 47.0 12.6 5.0 5.8 80 80 A T - 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0 0 46 -3,-1.1 2,-0.2 105,-0.2 -3,-0.2 0.879 50.0-178.9 58.1 43.1 20.0 31.3 9.3 95 95 A M < - 0 0 3 -5,-2.3 10,-0.6 104,-0.1 2,-0.3 -0.552 1.6-178.1 -76.6 137.8 19.0 29.8 5.9 96 96 A T E -BC 104 198A 15 102,-2.3 102,-3.2 -2,-0.2 2,-0.4 -0.955 24.0-134.1-134.7 154.7 17.2 32.1 3.5 97 97 A L E -BC 103 197A 2 6,-3.2 6,-3.2 -2,-0.3 2,-0.4 -0.903 25.9-165.9-106.2 133.7 15.7 31.7 0.0 98 98 A N E BC 102 196A 26 98,-3.0 98,-2.4 -2,-0.4 4,-0.2 -0.974 360.0 360.0-131.0 128.4 16.5 34.5 -2.5 99 99 A F 0 0 36 2,-2.2 95,-0.2 -2,-0.4 96,-0.1 -0.704 360.0 360.0-159.9 360.0 15.0 35.4 -5.8 100 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 101 1001 A P 0 0 90 0, 0.0 -2,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 161.1 12.7 39.2 -2.4 102 1002 A Q E -B 98 0A 125 -4,-0.2 2,-0.5 -6,-0.0 -4,-0.2 -0.903 360.0-157.6-107.7 140.4 14.5 37.4 0.4 103 1003 A V E -B 97 0A 34 -6,-3.2 -6,-3.2 -2,-0.4 2,-0.1 -0.970 2.8-157.3-125.2 120.5 12.5 34.6 2.2 104 1004 A T E -B 96 0A 77 -2,-0.5 3,-0.3 -8,-0.2 -8,-0.2 -0.403 19.3-128.8 -86.4 170.0 13.2 33.3 5.7 105 1005 A L S S+ 0 0 1 -10,-0.6 -14,-0.2 1,-0.2 -15,-0.1 0.153 75.1 107.0-113.7 24.7 12.1 29.9 6.8 106 1006 A W S S+ 0 0 170 -15,-0.1 2,-0.3 -16,-0.1 -1,-0.2 0.738 94.0 29.1 -71.0 -20.6 10.2 30.3 10.0 107 1007 A Q S S- 0 0 150 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.879 110.6 -77.7-129.1 163.4 7.0 29.7 8.0 108 1008 A R - 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