==== 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 05-FEB-06 2FXE . COMPND 2 MOLECULE: POL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR S.SHERIFF,H.E.KLEI . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9918.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 68.3 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 . 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 . 30 15.1 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 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 88 0, 0.0 198,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 167.3 11.9 15.0 29.5 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.967 360.0-163.5-115.7 134.4 8.4 14.9 28.2 3 3 A I E -A 197 0A 33 194,-3.2 194,-2.6 -2,-0.4 2,-0.0 -0.959 8.0-150.2-120.8 115.4 7.7 14.0 24.5 4 4 A T - 0 0 67 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.294 14.6-132.1 -74.9 168.9 4.3 14.8 23.0 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.141 74.9 109.1-115.2 18.0 3.0 12.6 20.2 6 6 A W S S+ 0 0 180 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.856 94.5 20.2 -58.3 -36.3 1.9 15.3 17.7 7 7 A K S S- 0 0 166 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.819 113.1 -66.6-125.5 169.4 4.8 14.1 15.7 8 8 A R - 0 0 137 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.343 52.6-119.3 -56.0 130.0 6.9 10.9 15.7 9 9 A P + 0 0 2 0, 0.0 15,-2.8 0, 0.0 2,-0.5 -0.506 51.0 166.2 -76.6 79.3 8.8 10.7 19.0 10 10 A I E +D 23 0B 85 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.837 7.4 169.8-104.1 129.8 12.3 10.7 17.4 11 11 A V E -D 22 0B 20 11,-2.7 11,-3.0 -2,-0.5 2,-0.4 -0.848 37.9 -95.7-130.3 167.7 15.4 11.3 19.5 12 12 A T E -D 21 0B 62 -2,-0.3 55,-2.4 9,-0.2 2,-0.3 -0.695 41.2-175.4 -84.8 135.4 19.1 11.1 18.9 13 13 A V E -DE 20 66B 1 7,-3.3 7,-2.6 -2,-0.4 2,-0.5 -0.906 18.7-139.0-124.6 158.0 20.8 7.8 20.0 14 14 A K E +DE 19 65B 100 51,-2.5 51,-2.2 -2,-0.3 2,-0.3 -0.978 32.1 156.4-117.7 123.7 24.5 6.7 20.1 15 15 A I E > -DE 18 64B 1 3,-2.6 3,-1.9 -2,-0.5 49,-0.1 -0.989 63.8 -2.5-146.6 135.5 25.4 3.2 19.1 16 16 A G T 3 S- 0 0 51 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.776 129.3 -55.4 60.3 26.0 28.5 1.5 17.8 17 17 A G T 3 S+ 0 0 77 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.579 118.0 106.1 83.6 9.6 30.3 4.9 17.8 18 18 A Q E < -D 15 0B 92 -3,-1.9 -3,-2.6 2,-0.0 2,-0.4 -0.909 64.5-132.3-122.8 149.1 27.7 6.5 15.6 19 19 A L E +D 14 0B 123 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.846 34.3 168.3 -95.5 136.5 24.9 9.0 16.2 20 20 A K E -D 13 0B 29 -7,-2.6 -7,-3.3 -2,-0.4 2,-0.4 -0.952 36.2-115.6-140.5 159.2 21.5 8.1 14.8 21 21 A E E -D 12 0B 103 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.840 40.2-177.8 -93.2 136.5 17.9 9.3 15.0 22 22 A A E -D 11 0B 2 -11,-3.0 -11,-2.7 -2,-0.4 2,-0.5 -0.984 27.1-119.3-141.8 152.9 15.5 6.7 16.4 23 23 A L E -Df 10 84B 16 60,-3.2 62,-3.1 -2,-0.3 2,-0.8 -0.760 21.4-135.4 -94.2 121.2 11.8 6.3 17.2 24 24 A L E - f 0 85B 2 -15,-2.8 2,-0.6 -2,-0.5 62,-0.2 -0.678 34.1-171.9 -77.7 110.9 10.8 5.7 20.8 25 25 A D > + 0 0 0 60,-2.8 3,-1.4 -2,-0.8 62,-0.3 -0.869 30.7 178.8-124.5 100.7 8.3 2.9 20.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.651 87.8 62.2 -69.7 -15.5 6.1 1.5 23.1 27 27 A G T 3 S+ 0 0 1 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.306 88.5 87.8 -93.3 8.8 4.6 -0.8 20.5 28 28 A A < - 0 0 0 -3,-1.4 59,-3.0 173,-0.2 60,-0.2 -0.938 54.1-168.0-112.3 123.8 7.9 -2.5 19.9 29 29 A D S S+ 0 0 36 -2,-0.5 59,-1.1 57,-0.2 2,-0.2 0.893 79.0 36.8 -66.5 -41.3 9.1 -5.5 22.0 30 30 A D S S- 0 0 37 57,-0.1 2,-0.5 56,-0.1 57,-0.2 -0.625 82.9-113.2-113.8 166.2 12.6 -5.2 20.5 31 31 A T - 0 0 0 43,-0.5 45,-3.1 -2,-0.2 2,-0.5 -0.894 32.2-169.2-100.3 126.0 15.0 -2.5 19.4 32 32 A V E -gH 76 84B 0 52,-1.7 52,-3.3 -2,-0.5 2,-0.4 -0.964 2.2-170.6-125.6 118.5 15.7 -2.5 15.7 33 33 A I E -g 77 0B 0 43,-3.4 45,-1.8 -2,-0.5 3,-0.2 -0.887 30.4-103.1-113.4 139.7 18.5 -0.5 14.1 34 34 A E E -g 78 0B 71 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.152 65.0 -62.3 -55.9 150.8 19.0 0.1 10.4 35 35 A E S S+ 0 0 106 43,-0.7 2,-0.3 45,-0.2 -1,-0.2 -0.029 71.8 157.3 -40.3 119.4 21.8 -1.9 8.7 36 36 A M - 0 0 12 -3,-0.2 2,-2.5 2,-0.0 -3,-0.1 -0.982 50.9-111.5-148.8 145.8 25.1 -0.9 10.4 37 37 A N + 0 0 154 -2,-0.3 -2,-0.1 -21,-0.0 40,-0.0 -0.373 46.2 179.8 -81.9 67.1 28.4 -2.9 10.5 38 38 A L - 0 0 9 -2,-2.5 2,-0.0 1,-0.1 -2,-0.0 -0.393 25.6-115.0 -70.0 141.6 28.3 -3.6 14.3 39 39 A P + 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -23,-0.0 -0.310 64.6 23.2 -72.1 154.7 31.3 -5.6 15.7 40 40 A G S S- 0 0 64 19,-0.0 2,-0.1 -2,-0.0 -2,-0.0 -0.162 91.5 -25.1 96.6-177.7 31.2 -9.1 17.2 41 41 A K + 0 0 199 19,-0.0 19,-0.4 -2,-0.0 2,-0.3 -0.376 55.2 178.4 -77.0 151.4 29.1 -12.2 17.3 42 42 A W - 0 0 126 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.916 20.9-129.8-145.5 170.8 25.4 -12.2 16.5 43 43 A K E -I 58 0B 139 15,-1.6 15,-3.0 -2,-0.3 2,-0.1 -0.976 29.3-107.5-128.7 139.0 22.5 -14.7 16.2 44 44 A P E +I 57 0B 102 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.398 46.3 168.2 -61.8 136.3 19.9 -15.1 13.4 45 45 A K E -I 56 0B 69 11,-1.9 11,-2.8 -2,-0.1 2,-0.4 -0.992 26.7-150.5-146.6 152.5 16.4 -13.8 14.3 46 46 A M E -I 55 0B 105 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.993 16.7-169.2-121.9 134.5 13.2 -13.1 12.5 47 47 A I E -I 54 0B 8 7,-2.1 7,-2.2 -2,-0.4 2,-0.4 -0.938 12.8-134.2-126.1 147.7 10.8 -10.4 13.8 48 48 A G E +I 53 0B 12 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.840 25.3 165.7-109.8 134.1 7.3 -9.6 12.8 49 49 A G E > -I 52 0B 3 3,-3.0 3,-0.8 -2,-0.4 102,-0.1 -0.485 58.5 -63.5-122.3-161.2 5.7 -6.3 12.1 50 50 A I T 3 S+ 0 0 18 151,-0.4 101,-0.2 1,-0.2 3,-0.1 0.833 131.7 35.0 -58.5 -36.7 2.4 -5.1 10.5 51 51 A G T 3 S- 0 0 29 99,-2.1 2,-0.3 1,-0.3 100,-0.3 0.499 123.6 -75.8-101.4 -4.0 3.3 -6.5 7.0 52 52 A G E < -I 49 0B 27 98,-0.8 -3,-3.0 -3,-0.8 2,-0.3 -0.956 65.1 -39.2 141.3-162.0 5.2 -9.7 7.9 53 53 A F E -I 48 0B 137 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.735 39.4-165.2-105.7 149.7 8.6 -10.8 9.1 54 54 A I E -I 47 0B 25 -7,-2.2 -7,-2.1 -2,-0.3 2,-0.4 -0.933 24.9-114.4-125.3 156.9 12.1 -9.6 8.3 55 55 A K E +I 46 0B 157 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.746 40.9 169.0 -89.4 133.8 15.5 -11.2 9.0 56 56 A V E -I 45 0B 8 -11,-2.8 -11,-1.9 -2,-0.4 2,-0.5 -0.891 35.6-114.0-135.9 167.5 17.8 -9.4 11.4 57 57 A R E -IJ 44 77B 42 20,-2.8 20,-2.5 -2,-0.3 2,-0.7 -0.930 28.5-141.3-104.4 125.4 21.1 -10.0 13.3 58 58 A Q E -IJ 43 76B 41 -15,-3.0 -15,-1.6 -2,-0.5 2,-0.5 -0.785 18.8-174.0 -92.2 114.4 20.7 -10.2 17.1 59 59 A Y E - J 0 75B 7 16,-2.6 16,-2.6 -2,-0.7 3,-0.3 -0.911 10.3-152.2-105.3 132.2 23.5 -8.5 19.0 60 60 A D E + 0 0 82 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.684 68.2 18.5-104.3 156.2 23.6 -8.8 22.8 61 61 A Q E S+ 0 0 144 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.878 79.3 169.6 58.2 40.8 25.0 -6.5 25.5 62 62 A I E - J 0 73B 26 11,-2.8 11,-2.0 -3,-0.3 2,-0.4 -0.744 32.6-130.4 -89.1 128.1 25.1 -3.6 23.1 63 63 A I E + J 0 72B 113 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.628 35.1 170.1 -77.5 127.7 25.8 -0.2 24.6 64 64 A I E -EJ 15 71B 0 7,-2.5 7,-1.6 -2,-0.4 2,-0.5 -0.988 24.4-153.3-143.7 130.0 23.3 2.4 23.5 65 65 A E E -EJ 14 70B 57 -51,-2.2 -51,-2.5 -2,-0.4 2,-0.6 -0.915 12.4-161.9-104.2 124.6 22.8 6.0 24.7 66 66 A I E > S-EJ 13 69B 0 3,-3.2 3,-2.4 -2,-0.5 -53,-0.2 -0.912 70.9 -32.9-112.5 108.9 19.2 7.2 24.2 67 67 A A T 3 S- 0 0 43 -55,-2.4 -1,-0.2 -2,-0.6 -54,-0.1 0.866 128.6 -42.3 49.5 41.1 18.8 11.0 24.4 68 68 A G T 3 S+ 0 0 50 -56,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.283 116.3 115.9 93.5 -11.2 21.6 11.2 27.0 69 69 A H E < - 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