==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-NOV-11 4A6B . COMPND 2 MOLECULE: POL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS; . AUTHOR X.WU,P.OHRNGREN,A.A.JOSHI,A.TREJOS,M.PERSSON,J.UNGE,R.K.ARVE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9979.0 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 3 2 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 94 0, 0.0 198,-1.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 180.0 30.0 40.0 4.3 2 2 A Q E -A 198 0A 126 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.886 360.0-162.5-104.4 126.7 29.8 37.2 1.8 3 3 A I E -A 197 0A 48 194,-3.4 194,-2.5 -2,-0.5 2,-0.1 -0.933 9.7-148.3-111.2 117.9 28.7 33.7 3.1 4 4 A T - 0 0 63 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.327 9.9-137.3 -77.4 165.8 29.5 30.8 0.8 5 5 A L S S+ 0 0 3 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.129 73.8 106.7-112.9 20.7 27.3 27.7 0.8 6 6 A W S S+ 0 0 173 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.834 94.5 25.3 -64.9 -30.5 29.9 24.9 0.7 7 7 A Q S S- 0 0 131 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.810 111.2 -73.1-124.9 168.4 28.9 24.4 4.3 8 8 A R - 0 0 141 -2,-0.3 2,-1.8 1,-0.1 119,-0.1 -0.413 49.7-120.0 -62.2 132.9 25.7 25.1 6.3 9 9 A P + 0 0 5 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.557 46.1 173.4 -79.7 83.1 25.4 28.9 6.8 10 10 A L E +D 23 0B 75 -2,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.731 5.1 175.1 -95.5 139.7 25.4 28.9 10.6 11 11 A V E -D 22 0B 20 11,-2.7 11,-2.7 -2,-0.3 2,-0.5 -0.908 30.6-115.3-137.8 164.7 25.5 32.1 12.7 12 12 A T E -D 21 0B 88 -2,-0.3 55,-0.9 9,-0.2 2,-0.3 -0.890 33.4-172.5-104.5 130.2 25.3 33.0 16.3 13 13 A I E -DE 20 66B 4 7,-3.0 7,-2.2 -2,-0.5 2,-0.5 -0.835 19.3-136.6-119.4 160.0 22.3 35.2 17.4 14 14 A K E +DE 19 65B 73 51,-2.1 51,-2.2 -2,-0.3 2,-0.3 -0.978 35.0 156.8-117.4 121.2 21.5 36.9 20.6 15 15 A I E > -DE 18 64B 0 3,-2.8 3,-2.5 -2,-0.5 49,-0.1 -0.989 63.6 -3.0-148.0 135.5 17.8 36.6 21.7 16 16 A G T 3 S- 0 0 47 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.832 127.8 -58.4 54.2 34.8 16.2 36.9 25.1 17 17 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.510 118.7 110.3 74.8 3.6 19.6 37.4 26.7 18 18 A Q E < -D 15 0B 81 -3,-2.5 -3,-2.8 2,-0.0 2,-0.5 -0.774 63.4-135.5-111.9 155.5 20.7 34.0 25.3 19 19 A L E +D 14 0B 131 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.938 31.3 170.2-110.3 129.5 23.2 33.1 22.6 20 20 A K E -D 13 0B 42 -7,-2.2 -7,-3.0 -2,-0.5 2,-0.4 -0.975 32.5-122.2-139.3 153.1 22.1 30.4 20.2 21 21 A E E +D 12 0B 116 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.786 36.9 177.0 -94.5 135.7 23.4 29.0 16.9 22 22 A A E -D 11 0B 2 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.4 -0.970 29.2-118.4-141.1 156.5 21.0 29.2 13.9 23 23 A L E -Df 10 84B 12 60,-2.5 62,-3.5 -2,-0.3 2,-0.8 -0.790 25.6-127.1 -95.7 130.4 20.9 28.3 10.3 24 24 A L E - f 0 85B 3 -15,-2.8 2,-0.6 -2,-0.4 62,-0.1 -0.689 36.9-173.5 -76.5 111.9 20.3 31.2 7.7 25 25 A D > - 0 0 16 60,-2.6 3,-1.3 -2,-0.8 62,-0.3 -0.862 26.8-178.7-119.8 101.5 17.4 29.7 5.8 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.657 87.0 62.0 -68.8 -13.9 16.1 31.5 2.7 27 27 A G T 3 S+ 0 0 15 81,-0.1 2,-0.4 96,-0.1 -1,-0.3 0.663 86.3 87.5 -85.1 -16.4 13.4 28.8 2.4 28 28 A A < - 0 0 16 -3,-1.3 59,-3.0 57,-0.2 60,-0.2 -0.711 62.1-156.1 -89.0 128.7 11.8 29.6 5.8 29 29 A D S S+ 0 0 57 -2,-0.4 59,-1.5 57,-0.2 2,-0.3 0.910 81.7 13.3 -66.7 -40.9 9.1 32.3 5.9 30 30 A D S S- 0 0 41 57,-0.2 2,-0.2 56,-0.1 57,-0.2 -0.871 89.7 -90.7-132.8 166.0 9.8 33.0 9.6 31 31 A T E -g 75 0B 3 43,-0.8 45,-2.6 -2,-0.3 2,-0.4 -0.540 38.7-166.7 -75.1 138.4 12.4 32.2 12.2 32 32 A V E -gH 76 84B 15 52,-2.2 52,-2.7 -2,-0.2 2,-0.3 -0.988 6.5-176.9-133.1 123.2 11.8 29.0 14.2 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.2 -2,-0.4 47,-0.2 -0.866 30.1-101.8-121.1 152.9 13.7 28.1 17.4 34 34 A E S S- 0 0 85 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.170 71.9 -51.2 -63.0 164.1 13.8 25.2 19.8 35 35 A E S S+ 0 0 116 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.054 80.1 138.4 -44.1 127.5 11.9 25.5 23.1 36 36 A M - 0 0 17 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.966 51.2 -95.5-162.8 166.3 12.8 28.6 25.0 37 37 A S + 0 0 93 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.725 37.5 173.6 -95.9 140.4 11.1 31.4 27.0 38 38 A L - 0 0 12 -2,-0.3 2,-0.1 2,-0.1 -2,-0.0 -0.992 26.5-121.2-143.2 144.6 10.1 34.7 25.5 39 39 A P + 0 0 97 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.403 67.7 36.2 -82.9 162.3 8.1 37.6 27.0 40 40 A G S S- 0 0 54 -2,-0.1 2,-0.2 19,-0.1 -2,-0.1 -0.380 94.9 -35.6 95.1-174.5 4.8 39.0 25.7 41 41 A R - 0 0 124 -2,-0.1 19,-0.6 19,-0.1 2,-0.3 -0.487 54.0-177.8 -87.4 158.0 1.8 37.5 24.1 42 42 A W E -I 59 0B 126 -2,-0.2 17,-0.2 17,-0.2 15,-0.0 -0.968 15.0-149.2-149.8 162.0 1.7 34.6 21.7 43 43 A K E -I 58 0B 117 15,-1.2 15,-2.8 -2,-0.3 2,-0.1 -0.996 28.2-108.9-137.4 140.9 -0.7 32.5 19.6 44 44 A P E +I 57 0B 81 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.371 41.2 171.7 -68.9 147.6 -0.5 28.8 18.6 45 45 A K E -I 56 0B 76 11,-2.2 11,-2.9 -2,-0.1 2,-0.4 -0.986 27.3-133.2-154.9 154.3 0.2 27.9 14.9 46 46 A M E -I 55 0B 112 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.944 20.1-171.6-114.1 133.4 1.0 24.9 12.8 47 47 A I E -I 54 0B 34 7,-2.1 7,-1.9 -2,-0.4 2,-0.5 -0.987 8.2-152.1-127.0 136.7 3.8 24.9 10.3 48 48 A G E +I 53 0B 39 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.917 26.6 145.5-117.2 122.8 4.5 22.2 7.7 49 49 A G E > -I 52 0B 25 3,-2.1 3,-1.7 -2,-0.5 2,-0.2 -0.371 62.9 -33.5-124.0-154.4 7.8 21.2 6.2 50 50 A I T 3 S+ 0 0 29 1,-0.2 101,-1.9 -2,-0.2 102,-0.9 -0.512 131.0 26.4 -68.2 132.5 9.4 18.0 5.1 51 51 A G T 3 S- 0 0 32 128,-0.4 2,-0.3 100,-0.3 -1,-0.2 0.219 123.6 -77.9 99.2 -15.5 8.1 15.2 7.3 52 52 A G E < -I 49 0B 29 -3,-1.7 -3,-2.1 100,-0.2 2,-0.2 -0.826 67.1 -35.5 124.0-163.9 4.8 16.9 8.3 53 53 A F E -I 48 0B 142 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.676 39.5-167.8-102.9 154.7 3.6 19.6 10.6 54 54 A I E -I 47 0B 20 -7,-1.9 -7,-2.1 -2,-0.2 2,-0.4 -0.963 24.9-118.2-134.6 152.9 4.6 20.7 14.1 55 55 A K E +I 46 0B 139 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.796 38.2 172.7 -95.0 133.7 2.8 23.0 16.6 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-2.2 -2,-0.4 2,-0.5 -0.871 32.5-116.7-134.2 167.1 4.7 26.2 17.6 57 57 A R E -IJ 44 77B 50 20,-2.6 20,-2.4 -2,-0.3 2,-0.6 -0.927 27.3-141.2-107.4 127.5 4.0 29.4 19.6 58 58 A Q E -IJ 43 76B 23 -15,-2.8 -15,-1.2 -2,-0.5 2,-0.4 -0.800 18.8-176.3 -95.1 119.2 4.2 32.7 17.6 59 59 A Y E -IJ 42 75B 12 16,-2.7 16,-2.8 -2,-0.6 3,-0.3 -0.944 9.7-157.8-112.5 132.5 5.8 35.6 19.3 60 60 A D E + 0 0 39 -19,-0.6 14,-0.2 -2,-0.4 -19,-0.1 -0.746 64.8 24.3-110.5 159.9 5.8 39.0 17.6 61 61 A Q E S+ 0 0 136 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.915 75.8 163.4 57.8 48.8 8.0 42.1 18.0 62 62 A I E - J 0 73B 8 11,-2.8 11,-1.7 -3,-0.3 -1,-0.2 -0.867 36.6-128.2-102.0 124.3 10.9 40.2 19.5 63 63 A P E + J 0 72B 89 0, 0.0 -47,-0.5 0, 0.0 2,-0.3 -0.500 35.4 172.8 -69.4 135.4 14.3 41.9 19.5 64 64 A I E -EJ 15 71B 7 7,-3.4 7,-3.4 -2,-0.2 2,-0.5 -0.999 23.5-148.4-147.6 143.3 17.1 39.8 18.0 65 65 A E E +EJ 14 70B 68 -51,-2.2 -51,-2.1 -2,-0.3 2,-0.4 -0.962 18.9 173.9-117.9 124.4 20.8 40.5 17.1 66 66 A I E > -EJ 13 69B 2 3,-2.6 3,-2.5 -2,-0.5 -53,-0.2 -0.993 70.0 -14.2-131.6 126.4 22.4 38.7 14.2 67 67 A C T 3 S- 0 0 51 -55,-0.9 -1,-0.1 -2,-0.4 3,-0.1 0.867 129.7 -52.3 52.6 39.5 25.9 39.3 12.8 68 68 A G T 3 S+ 0 0 52 1,-0.2 2,-0.6 -3,-0.0 -1,-0.3 0.488 113.2 124.8 77.4 1.4 26.1 42.5 14.8 69 69 A H E < - J 0 66B 67 -3,-2.5 -3,-2.6 2,-0.0 2,-0.7 -0.857 53.3-147.7-100.4 118.4 22.8 43.7 13.3 70 70 A K E + J 0 65B 170 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.743 33.7 158.3 -86.3 113.7 20.0 44.5 15.8 71 71 A A E - J 0 64B 18 -7,-3.4 -7,-3.4 -2,-0.7 2,-0.4 -0.824 30.7-139.6-131.4 169.7 16.6 43.7 14.3 72 72 A I E + J 0 63B 85 -2,-0.3 2,-0.3 -9,-0.2 20,-0.1 -0.981 37.6 114.3-132.8 144.8 13.1 42.9 15.4 73 73 A G E - 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