==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-FEB-06 2FXD . COMPND 2 MOLECULE: POL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR H.E.KLEI,S.SHERIFF . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 70.4 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 . 32 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.0 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 87 0, 0.0 198,-2.0 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 168.1 11.9 15.0 29.8 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.965 360.0-160.9-111.5 113.8 8.2 15.0 28.9 3 3 A I E -A 197 0A 30 194,-3.6 194,-2.7 -2,-0.6 2,-0.1 -0.839 4.6-150.8-100.8 120.7 7.8 14.4 25.1 4 4 A T - 0 0 64 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.305 13.5-131.1 -81.6 171.7 4.5 15.4 23.6 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.173 73.6 109.4-117.8 17.9 3.1 13.7 20.5 6 6 A W S S+ 0 0 188 185,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.873 95.4 18.0 -56.1 -39.3 2.2 16.6 18.3 7 7 A K S S- 0 0 160 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.743 112.1 -65.5-121.7 174.6 5.1 15.5 16.1 8 8 A R - 0 0 137 -2,-0.2 2,-2.3 1,-0.1 119,-0.1 -0.420 51.6-118.6 -61.2 131.7 7.1 12.2 15.8 9 9 A P + 0 0 3 0, 0.0 15,-2.8 0, 0.0 2,-0.5 -0.424 51.8 161.4 -76.2 71.4 9.0 11.6 19.1 10 10 A I E +D 23 0B 85 -2,-2.3 13,-0.2 13,-0.2 2,-0.2 -0.823 9.4 170.9 -98.4 128.3 12.5 11.7 17.5 11 11 A V E -D 22 0B 28 11,-2.6 11,-2.2 -2,-0.5 2,-0.5 -0.749 36.5 -96.1-128.1 173.3 15.4 12.3 19.9 12 12 A T E +D 21 0B 70 -2,-0.2 55,-0.6 9,-0.2 2,-0.3 -0.818 42.6 177.7 -95.5 131.7 19.2 12.3 19.8 13 13 A V E -DE 20 66B 4 7,-3.5 7,-3.1 -2,-0.5 2,-0.6 -0.879 26.4-124.1-127.9 161.3 21.0 9.1 21.0 14 14 A K E +DE 19 65B 68 51,-2.3 51,-2.5 -2,-0.3 2,-0.4 -0.932 35.0 161.3-111.8 118.5 24.6 7.9 21.2 15 15 A I E > S+DE 18 64B 3 3,-2.5 3,-1.9 -2,-0.6 49,-0.1 -1.000 70.4 0.5-134.9 134.7 25.6 4.7 19.4 16 16 A G T 3 S- 0 0 66 47,-0.6 3,-0.1 -2,-0.4 48,-0.1 0.625 129.8 -62.5 66.4 10.3 29.1 3.6 18.5 17 17 A G T 3 S+ 0 0 65 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.423 117.0 104.2 94.6 -0.4 30.3 6.9 20.0 18 18 A Q E < S-D 15 0B 96 -3,-1.9 -3,-2.5 0, 0.0 2,-0.4 -0.832 73.2-111.9-116.8 153.6 28.4 9.0 17.5 19 19 A L E +D 14 0B 116 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.682 41.0 170.1 -85.9 130.9 25.1 11.0 17.8 20 20 A K E -D 13 0B 38 -7,-3.1 -7,-3.5 -2,-0.4 2,-0.4 -0.946 31.9-117.6-137.3 159.1 22.1 9.8 15.9 21 21 A E E +D 12 0B 98 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.814 36.4 168.3 -97.5 136.5 18.4 10.5 15.6 22 22 A A E -D 11 0B 2 -11,-2.2 -11,-2.6 -2,-0.4 2,-0.5 -0.997 34.1-118.5-148.0 147.0 15.9 7.8 16.5 23 23 A L E -Df 10 84B 29 60,-2.9 62,-2.7 -2,-0.3 2,-1.0 -0.747 24.5-131.7 -89.7 128.6 12.1 7.7 17.1 24 24 A L E - f 0 85B 1 -15,-2.8 2,-0.7 -2,-0.5 62,-0.2 -0.696 32.9-170.1 -82.2 104.0 11.1 6.5 20.5 25 25 A D > - 0 0 1 60,-2.5 3,-1.7 -2,-1.0 62,-0.3 -0.839 27.1-176.2-113.0 105.4 8.5 3.9 19.6 26 26 A T T 3 S+ 0 0 0 -2,-0.7 -1,-0.1 1,-0.3 98,-0.1 0.652 89.6 61.6 -70.2 -13.8 6.3 2.3 22.2 27 27 A G T 3 S+ 0 0 1 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.244 87.8 88.5 -95.0 12.0 4.9 0.1 19.5 28 28 A A < - 0 0 0 -3,-1.7 59,-2.9 173,-0.3 60,-0.2 -0.950 53.4-168.9-112.6 122.2 8.3 -1.5 18.8 29 29 A D S S+ 0 0 33 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.885 78.7 38.1 -65.3 -39.0 9.4 -4.6 20.7 30 30 A D S S- 0 0 28 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.667 82.1-114.9-118.4 162.9 12.9 -4.2 19.3 31 31 A T - 0 0 0 43,-0.5 45,-3.1 -2,-0.2 2,-0.5 -0.885 33.5-171.7 -99.2 125.1 15.4 -1.4 18.4 32 32 A V E -gH 76 84B 1 52,-1.7 52,-3.2 -2,-0.5 2,-0.3 -0.979 2.4-173.8-126.3 124.4 16.1 -1.3 14.7 33 33 A I E -g 77 0B 3 43,-3.2 45,-2.6 -2,-0.5 47,-0.2 -0.886 30.6-100.7-121.3 147.2 18.8 0.9 13.2 34 34 A E E -g 78 0B 63 48,-0.3 -1,-0.1 -2,-0.3 49,-0.0 -0.189 67.0 -59.6 -61.6 158.7 19.7 1.7 9.6 35 35 A E S S+ 0 0 107 43,-0.7 2,-0.3 45,-0.3 -1,-0.2 -0.040 78.6 132.8 -46.5 131.2 22.6 -0.2 8.1 36 36 A M - 0 0 25 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.935 57.3 -93.5-171.2 157.4 25.9 0.3 9.9 37 37 A N - 0 0 148 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.668 42.0-177.0 -81.6 130.7 28.9 -1.7 11.2 38 38 A L - 0 0 20 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.877 30.6 -94.5-122.3 159.6 28.6 -2.7 14.9 39 39 A P S S+ 0 0 98 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.453 77.7 6.6 -71.3 140.8 31.1 -4.6 17.1 40 40 A G S S- 0 0 65 -2,-0.1 2,-0.2 19,-0.1 -2,-0.1 -0.294 93.1 -30.4 101.3-172.8 30.9 -8.3 17.6 41 41 A K - 0 0 191 -2,-0.1 19,-0.6 19,-0.1 2,-0.3 -0.492 53.4-162.6 -84.0 155.6 29.0 -11.4 16.4 42 42 A W E -I 59 0B 132 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.926 9.4-149.8-136.7 162.4 25.4 -11.3 15.1 43 43 A K E -I 58 0B 112 15,-1.7 15,-3.3 -2,-0.3 2,-0.1 -0.954 31.1-101.0-129.1 151.3 22.5 -13.7 14.4 44 44 A P E +I 57 0B 104 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.410 40.0 179.0 -68.9 144.9 19.7 -13.5 11.9 45 45 A K E -I 56 0B 66 11,-2.2 11,-2.9 -2,-0.1 2,-0.5 -0.991 20.3-146.4-140.1 149.6 16.3 -12.3 12.9 46 46 A I E -I 55 0B 103 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.972 21.3-175.6-112.2 128.6 13.0 -11.7 11.1 47 47 A I E -I 54 0B 8 7,-2.2 7,-2.5 -2,-0.5 2,-0.4 -0.932 11.6-142.8-124.5 149.8 10.8 -8.9 12.3 48 48 A G E +I 53 0B 13 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.899 20.7 165.3-118.1 140.1 7.4 -7.8 11.2 49 49 A G E > -I 52 0B 3 3,-2.9 3,-1.0 -2,-0.4 102,-0.1 -0.439 59.4 -59.0-126.3-154.5 5.7 -4.4 10.8 50 50 A I T 3 S+ 0 0 19 151,-0.4 101,-0.2 1,-0.2 3,-0.1 0.827 132.6 38.7 -63.4 -33.3 2.6 -3.0 9.1 51 51 A G T 3 S- 0 0 25 99,-2.2 2,-0.3 1,-0.3 -1,-0.2 0.375 121.4 -85.3-104.0 4.2 3.6 -4.2 5.7 52 52 A G E < -I 49 0B 21 -3,-1.0 -3,-2.9 98,-0.6 2,-0.3 -0.907 63.9 -30.8 127.2-156.7 5.1 -7.6 6.4 53 53 A F E -I 48 0B 154 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.752 39.8-173.5-111.3 147.6 8.5 -9.0 7.4 54 54 A I E -I 47 0B 29 -7,-2.5 -7,-2.2 -2,-0.3 2,-0.4 -0.927 25.7-118.2-129.4 159.4 12.1 -8.1 6.9 55 55 A K E +I 46 0B 158 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.809 37.4 171.0 -96.4 137.4 15.4 -9.8 7.7 56 56 A V E -I 45 0B 8 -11,-2.9 -11,-2.2 -2,-0.4 2,-0.5 -0.886 34.5-109.1-136.8 168.8 17.8 -8.0 10.1 57 57 A R E -IJ 44 77B 44 20,-2.5 20,-2.9 -2,-0.3 2,-0.7 -0.905 28.7-144.7-103.0 127.5 21.1 -8.7 11.9 58 58 A Q E -IJ 43 76B 31 -15,-3.3 -15,-1.7 -2,-0.5 2,-0.4 -0.820 16.4-174.7 -98.5 115.1 20.8 -9.0 15.7 59 59 A Y E -IJ 42 75B 10 16,-2.7 16,-2.6 -2,-0.7 3,-0.3 -0.865 12.9-146.2-104.6 141.5 23.7 -7.7 17.8 60 60 A D E + 0 0 78 -19,-0.6 14,-0.2 -2,-0.4 -19,-0.1 -0.713 69.8 18.4-108.1 157.3 23.8 -8.2 21.6 61 61 A Q E S+ 0 0 137 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.866 77.9 159.9 55.7 40.1 25.1 -6.0 24.4 62 62 A I E - J 0 73B 10 11,-2.4 11,-2.1 -3,-0.3 2,-0.5 -0.812 34.4-134.8 -92.3 133.3 25.1 -2.9 22.3 63 63 A I E + J 0 72B 84 -2,-0.4 -47,-0.6 9,-0.2 2,-0.5 -0.774 23.9 177.8 -93.4 125.3 25.2 0.3 24.2 64 64 A I E -EJ 15 71B 0 7,-2.3 7,-2.0 -2,-0.5 2,-0.5 -0.986 19.9-145.2-122.1 121.0 22.9 3.2 23.2 65 65 A E E -EJ 14 70B 60 -51,-2.5 -51,-2.3 -2,-0.5 2,-0.5 -0.720 18.2-175.8 -87.9 129.9 23.0 6.3 25.4 66 66 A I E > -EJ 13 69B 1 3,-3.1 3,-2.7 -2,-0.5 -53,-0.1 -0.966 67.6 -26.7-131.6 115.5 19.7 8.1 25.8 67 67 A A T 3 S- 0 0 62 -55,-0.6 3,-0.1 -2,-0.5 -1,-0.1 0.818 128.0 -48.1 51.7 33.4 19.3 11.4 27.7 68 68 A G T 3 S+ 0 0 58 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.404 115.2 119.0 90.0 -3.5 22.4 10.4 29.7 69 69 A H E < - J 0 66B 81 -3,-2.7 -3,-3.1 24,-0.0 2,-1.0 -0.853 58.5-141.6 -96.3 126.1 21.1 6.9 30.5 70 70 A K E - J 0 65B 157 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.772 21.0-175.1 -87.2 104.9 23.2 4.0 29.2 71 71 A A E - J 0 64B 0 -7,-2.0 -7,-2.3 -2,-1.0 2,-0.4 -0.787 3.6-168.6 -91.1 143.5 20.9 1.3 28.0 72 72 A I E + J 0 63B 68 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.990 33.0 82.6-138.2 129.2 22.6 -1.9 26.9 73 73 A G E S- J 0 62B 9 -11,-2.1 -11,-2.4 -2,-0.4 2,-0.2 -0.971 72.6 -9.3 170.7-160.9 21.0 -4.8 25.0 74 74 A T E - 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