==== 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 4A6C . 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) . 10102.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.1 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 . 29 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.1 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 2 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 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 0 104 0, 0.0 198,-1.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 173.4 30.4 40.4 3.7 2 2 A Q E -A 198 0A 125 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.914 360.0-159.7-111.1 132.6 29.8 37.5 1.4 3 3 A I E -A 197 0A 40 194,-3.3 194,-2.6 -2,-0.5 2,-0.1 -0.942 9.5-153.0-113.9 114.2 28.8 34.0 2.7 4 4 A T - 0 0 67 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.362 13.5-133.4 -78.3 165.0 29.5 31.1 0.4 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.079 73.2 109.4-110.9 25.0 27.3 28.0 0.6 6 6 A W S S+ 0 0 170 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.834 92.1 27.1 -66.2 -30.2 29.9 25.2 0.6 7 7 A Q S S- 0 0 144 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.832 110.1 -74.8-124.9 164.8 29.0 24.7 4.3 8 8 A R - 0 0 142 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.371 48.3-120.0 -59.6 131.8 25.8 25.3 6.2 9 9 A P + 0 0 5 0, 0.0 15,-2.9 0, 0.0 2,-0.3 -0.536 46.3 173.2 -79.3 81.4 25.4 29.1 6.8 10 10 A L E +D 23 0B 78 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.707 4.9 173.4 -93.1 140.6 25.4 29.0 10.6 11 11 A V E -D 22 0B 22 11,-2.7 11,-2.8 -2,-0.3 2,-0.5 -0.908 30.6-117.7-139.0 166.5 25.5 32.2 12.7 12 12 A T E -D 21 0B 94 -2,-0.3 55,-0.5 9,-0.2 2,-0.3 -0.942 32.4-175.1-110.9 123.6 25.2 33.2 16.4 13 13 A I E -DE 20 66B 0 7,-2.7 7,-2.2 -2,-0.5 2,-0.5 -0.772 20.3-134.6-114.6 161.0 22.3 35.4 17.4 14 14 A K E +DE 19 65B 103 51,-2.1 51,-2.3 -2,-0.3 2,-0.3 -0.975 34.7 158.2-117.4 124.2 21.4 37.0 20.7 15 15 A I E > -DE 18 64B 2 3,-2.8 3,-2.2 -2,-0.5 49,-0.1 -0.991 63.2 -3.0-149.2 136.1 17.8 36.7 21.8 16 16 A G T 3 S- 0 0 49 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.812 128.6 -57.8 53.6 32.3 16.1 37.0 25.2 17 17 A G T 3 S+ 0 0 71 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.673 118.3 111.6 73.2 17.0 19.5 37.4 26.8 18 18 A Q E < -D 15 0B 76 -3,-2.2 -3,-2.8 2,-0.0 2,-0.5 -0.895 63.4-133.8-123.9 153.1 20.5 34.1 25.3 19 19 A L E +D 14 0B 125 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.917 31.1 173.3-107.1 126.0 23.1 33.1 22.7 20 20 A K E -D 13 0B 39 -7,-2.2 -7,-2.7 -2,-0.5 2,-0.4 -0.978 30.4-127.2-135.5 148.1 21.9 30.5 20.1 21 21 A E E +D 12 0B 120 -2,-0.3 2,-0.3 -9,-0.2 62,-0.2 -0.747 36.6 176.4 -90.1 137.6 23.3 29.1 16.9 22 22 A A E -D 11 0B 2 -11,-2.8 -11,-2.7 -2,-0.4 2,-0.4 -0.991 29.4-120.7-145.6 153.0 21.0 29.3 13.9 23 23 A L E -Df 10 84B 13 60,-2.4 62,-3.1 -2,-0.3 2,-0.8 -0.788 26.6-125.1 -95.4 129.4 21.0 28.5 10.2 24 24 A L E - f 0 85B 0 -15,-2.9 2,-0.6 -2,-0.4 62,-0.1 -0.643 37.6-174.2 -73.2 112.9 20.4 31.4 7.7 25 25 A D > - 0 0 14 60,-2.5 3,-1.6 -2,-0.8 62,-0.3 -0.845 25.6-177.7-121.6 97.2 17.4 29.9 5.8 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.652 86.5 62.9 -65.0 -13.7 16.1 31.7 2.7 27 27 A G T 3 S+ 0 0 17 81,-0.1 2,-0.4 96,-0.1 -1,-0.3 0.676 85.9 88.8 -84.1 -16.4 13.4 29.1 2.5 28 28 A A < - 0 0 13 -3,-1.6 59,-3.1 57,-0.3 60,-0.2 -0.702 62.2-156.5 -88.3 127.2 11.8 30.0 5.9 29 29 A D S S+ 0 0 57 -2,-0.4 59,-1.6 57,-0.2 2,-0.3 0.895 82.2 11.2 -64.7 -39.9 9.1 32.6 6.0 30 30 A D S S- 0 0 32 57,-0.2 2,-0.2 56,-0.1 57,-0.2 -0.915 91.3 -87.6-137.1 162.3 9.9 33.3 9.7 31 31 A T E -g 75 0B 0 43,-0.9 45,-2.6 -2,-0.3 2,-0.4 -0.465 39.3-163.2 -69.9 136.9 12.6 32.4 12.2 32 32 A V E -gH 76 84B 6 52,-2.2 52,-2.7 43,-0.2 2,-0.3 -0.990 10.1-179.9-128.6 123.2 11.9 29.1 14.1 33 33 A L E -g 77 0B 0 43,-2.5 45,-2.1 -2,-0.4 47,-0.2 -0.899 30.7-101.7-124.4 153.0 13.7 28.3 17.3 34 34 A E S S- 0 0 86 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.140 70.8 -51.7 -62.6 165.1 13.7 25.4 19.8 35 35 A E S S+ 0 0 110 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.071 79.4 138.0 -45.5 129.0 11.8 25.7 23.0 36 36 A M - 0 0 16 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.959 51.9 -94.4-164.7 165.4 12.7 28.8 25.0 37 37 A S + 0 0 100 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.744 38.0 174.5 -95.0 138.7 11.0 31.6 27.0 38 38 A L - 0 0 18 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.996 25.7-122.7-142.0 141.2 10.0 34.9 25.4 39 39 A P + 0 0 98 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.365 67.5 37.3 -80.6 163.0 8.0 37.9 26.8 40 40 A G S S- 0 0 53 -2,-0.1 2,-0.1 19,-0.1 -2,-0.1 -0.344 95.1 -37.2 94.5-176.2 4.8 39.3 25.4 41 41 A R - 0 0 125 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.427 54.0-174.2 -84.6 160.6 1.8 37.8 23.8 42 42 A W E -I 59 0B 128 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.983 14.8-149.0-151.3 158.8 1.7 34.8 21.4 43 43 A K E -I 58 0B 119 15,-1.4 15,-2.8 -2,-0.3 2,-0.2 -0.994 23.0-122.0-132.5 138.0 -0.6 32.8 19.2 44 44 A P E +I 57 0B 76 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.514 38.4 155.0 -82.0 148.6 -0.4 29.1 18.3 45 45 A K E -I 56 0B 68 11,-2.0 11,-2.6 -2,-0.2 2,-0.4 -0.968 36.8-112.5-159.7 169.8 -0.2 27.8 14.7 46 46 A M E -I 55 0B 112 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.934 21.2-164.9-114.5 133.1 1.0 24.9 12.6 47 47 A I E -I 54 0B 34 7,-2.2 7,-1.8 -2,-0.4 2,-0.7 -0.964 11.3-145.7-118.5 134.2 3.8 25.0 10.2 48 48 A G E +I 53 0B 37 -2,-0.4 5,-0.3 5,-0.2 2,-0.1 -0.843 30.0 155.3-105.9 106.6 4.3 22.3 7.6 49 49 A G E > -I 52 0B 27 3,-1.9 3,-1.7 -2,-0.7 2,-0.2 -0.297 57.9 -50.1-108.1-164.9 7.8 21.4 6.6 50 50 A I T 3 S+ 0 0 30 1,-0.2 101,-1.9 -2,-0.1 102,-0.8 -0.542 129.5 26.5 -69.3 132.9 9.4 18.3 5.2 51 51 A G T 3 S- 0 0 31 128,-0.4 2,-0.3 100,-0.3 -1,-0.2 0.268 126.1 -69.2 98.4 -12.0 8.2 15.3 7.4 52 52 A G E < -I 49 0B 29 -3,-1.7 -3,-1.9 100,-0.2 2,-0.2 -0.778 67.9 -40.3 127.5-172.0 5.0 17.0 8.5 53 53 A F E -I 48 0B 141 -5,-0.3 2,-0.3 -2,-0.3 -5,-0.2 -0.628 39.3-167.7 -97.0 154.0 3.6 19.7 10.7 54 54 A I E -I 47 0B 19 -7,-1.8 -7,-2.2 -2,-0.2 2,-0.4 -0.964 24.3-117.7-135.3 152.0 4.7 20.9 14.1 55 55 A K E +I 46 0B 140 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.764 37.6 175.6 -92.9 135.1 2.9 23.2 16.5 56 56 A V E -I 45 0B 3 -11,-2.6 -11,-2.0 -2,-0.4 2,-0.5 -0.896 30.6-123.1-135.8 164.0 4.6 26.5 17.4 57 57 A R E -IJ 44 77B 51 20,-2.3 20,-2.5 -2,-0.3 2,-0.6 -0.949 26.7-142.1-109.5 125.3 4.0 29.7 19.4 58 58 A Q E -IJ 43 76B 22 -15,-2.8 -15,-1.4 -2,-0.5 2,-0.4 -0.796 19.1-177.7 -94.7 119.9 4.3 32.9 17.4 59 59 A Y E -IJ 42 75B 11 16,-2.7 16,-2.8 -2,-0.6 3,-0.2 -0.945 8.8-160.8-113.3 134.5 5.8 35.9 19.1 60 60 A D E + 0 0 42 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.698 63.5 29.9-112.1 166.0 6.1 39.3 17.4 61 61 A Q E S+ 0 0 137 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.905 75.8 161.1 55.4 47.2 8.2 42.4 17.9 62 62 A I E - J 0 73B 8 11,-2.6 11,-2.1 -3,-0.2 2,-0.3 -0.867 38.4-127.1-102.8 128.5 11.1 40.4 19.4 63 63 A P E + J 0 72B 94 0, 0.0 -47,-0.5 0, 0.0 2,-0.4 -0.573 33.3 176.1 -74.4 130.4 14.6 42.1 19.5 64 64 A I E -EJ 15 71B 4 7,-3.4 7,-2.6 -2,-0.3 2,-0.6 -0.997 22.9-148.3-139.8 133.5 17.3 40.0 18.0 65 65 A E E +EJ 14 70B 82 -51,-2.3 -51,-2.1 -2,-0.4 2,-0.3 -0.894 29.8 161.5-102.5 123.6 21.0 40.7 17.4 66 66 A I E > -EJ 13 69B 5 3,-2.7 3,-2.0 -2,-0.6 -53,-0.1 -0.993 62.3 -6.9-145.8 133.9 22.5 39.1 14.3 67 67 A C T 3 S- 0 0 38 -55,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.859 130.1 -53.6 51.1 40.0 25.6 39.7 12.2 68 68 A G T 3 S+ 0 0 70 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.656 115.4 121.1 71.9 15.1 26.2 42.9 14.3 69 69 A H E < - J 0 66B 73 -3,-2.0 -3,-2.7 2,-0.0 2,-1.0 -0.936 57.4-146.3-116.0 134.3 22.7 44.1 13.5 70 70 A K E + J 0 65B 177 -2,-0.4 -5,-0.2 -5,-0.2 2,-0.2 -0.807 38.8 161.8 -98.3 95.3 20.0 44.9 16.1 71 71 A A E - J 0 64B 15 -7,-2.6 -7,-3.4 -2,-1.0 2,-0.4 -0.637 31.4-138.3-112.8 169.6 16.8 43.9 14.4 72 72 A I E + J 0 63B 86 -9,-0.2 2,-0.3 -2,-0.2 20,-0.1 -0.987 37.3 127.0-129.5 137.6 13.2 43.2 15.4 73 73 A G E - 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