==== 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 10-MAY-04 1T7I . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR N.M.KING,M.PRABU-JEYABALAN,E.A.NALIVAIKA,P.B.T.P.WIGERINCK,M . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 62.6 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 . 70 35.4 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 . 21 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.1 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 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 4 1 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 73 0, 0.0 198,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 164.0 27.6 22.4 34.5 2 2 A Q E -A 198 0A 132 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.969 360.0-163.7-104.4 128.3 23.8 22.7 34.4 3 3 A I E -A 197 0A 33 194,-3.2 194,-2.4 -2,-0.5 2,-0.1 -0.966 3.9-154.2-120.4 119.8 22.8 25.9 32.5 4 4 A T - 0 0 67 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.389 16.2-130.0 -84.4 172.2 19.3 27.4 32.6 5 5 A L S S+ 0 0 1 190,-0.3 186,-0.2 1,-0.2 185,-0.1 0.187 76.2 103.4-120.6 20.9 17.8 29.5 29.9 6 6 A W S S+ 0 0 184 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.851 96.2 33.2 -72.5 -23.3 16.5 32.6 31.5 7 7 A K S S- 0 0 161 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.818 110.4 -80.6-118.9 164.2 19.6 34.3 30.1 8 8 A R - 0 0 129 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.369 45.0-118.2 -61.0 136.0 21.6 33.5 26.9 9 9 A P + 0 0 3 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.434 51.1 165.9 -79.2 71.0 23.9 30.5 27.4 10 10 A L E +D 23 0B 74 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.731 7.7 174.8 -90.2 136.4 27.1 32.3 26.8 11 11 A V E -D 22 0B 12 11,-2.5 11,-2.5 -2,-0.4 2,-0.4 -0.891 32.9-104.3-139.4 157.5 30.3 30.7 27.8 12 12 A T E -D 21 0B 71 -2,-0.3 55,-2.1 9,-0.2 2,-0.3 -0.772 36.2-170.9 -84.5 136.5 34.0 31.4 27.5 13 13 A I E -DE 20 66B 1 7,-2.9 7,-2.5 -2,-0.4 2,-0.5 -0.879 16.0-143.3-121.3 154.8 35.9 29.4 25.0 14 14 A R E +DE 19 65B 108 51,-2.0 51,-2.2 -2,-0.3 2,-0.4 -0.985 27.6 161.9-116.8 123.1 39.6 29.1 24.3 15 15 A I E > S-D 18 0B 1 3,-2.5 3,-1.9 -2,-0.5 49,-0.1 -0.981 71.6 -10.7-143.9 117.7 40.7 28.9 20.8 16 16 A G T 3 S- 0 0 77 47,-0.4 3,-0.1 -2,-0.4 48,-0.1 0.830 127.6 -56.1 63.4 33.2 44.3 29.6 19.6 17 17 A G T 3 S+ 0 0 65 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.430 114.9 119.0 80.1 -2.9 45.2 31.0 23.0 18 18 A Q E < -D 15 0B 102 -3,-1.9 -3,-2.5 2,-0.0 2,-0.5 -0.791 58.4-140.7 -99.6 142.6 42.4 33.5 22.7 19 19 A L E +D 14 0B 127 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.861 30.5 167.6 -98.1 128.3 39.5 33.8 25.0 20 20 A K E -D 13 0B 38 -7,-2.5 -7,-2.9 -2,-0.5 2,-0.4 -0.933 34.1-120.7-134.1 158.8 36.1 34.5 23.4 21 21 A E E +D 12 0B 105 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.864 36.7 176.9 -97.7 138.1 32.5 34.4 24.5 22 22 A A E -D 11 0B 0 -11,-2.5 -11,-2.5 -2,-0.4 2,-0.5 -0.980 27.5-118.6-141.5 155.8 30.2 32.1 22.5 23 23 A L E -Df 10 84B 11 60,-2.7 62,-3.0 -2,-0.3 2,-0.7 -0.793 20.2-130.8 -98.3 125.3 26.7 31.0 22.6 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.2 -0.652 34.4-173.7 -73.6 115.3 25.7 27.3 23.1 25 25 A D > - 0 0 20 60,-2.6 3,-1.8 -2,-0.7 62,-0.3 -0.858 24.9-179.9-127.6 90.5 23.3 26.9 20.2 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.713 85.8 61.4 -67.5 -15.5 21.3 23.7 20.0 27 27 A G T 3 S+ 0 0 23 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.428 88.5 86.0 -89.5 3.6 19.6 25.0 16.8 28 28 A A < - 0 0 17 -3,-1.8 59,-2.9 57,-0.2 60,-0.2 -0.900 56.7-166.9-103.7 122.8 23.0 25.3 15.0 29 29 A D S S+ 0 0 51 -2,-0.5 59,-1.5 57,-0.2 2,-0.3 0.848 78.4 42.9 -66.1 -36.9 24.2 22.2 13.2 30 30 A D S S- 0 0 49 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.758 83.3-116.0-116.7 156.7 27.6 23.9 12.9 31 31 A T - 0 0 0 43,-0.5 45,-2.5 -2,-0.3 2,-0.5 -0.813 35.3-175.2 -92.2 123.7 30.0 26.1 14.9 32 32 A V E -gH 76 84B 2 52,-1.7 52,-2.8 -2,-0.5 2,-0.3 -0.985 3.2-171.0-130.8 120.4 30.3 29.5 13.4 33 33 A L E -g 77 0B 0 43,-3.0 45,-2.4 -2,-0.5 47,-0.2 -0.840 28.1-104.9-111.4 151.0 32.6 32.2 14.7 34 34 A E - 0 0 89 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.186 66.5 -55.6 -65.2 159.0 32.9 35.8 13.8 35 35 A E S S+ 0 0 112 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.075 79.2 137.2 -39.5 130.4 35.8 36.9 11.7 36 36 A M - 0 0 25 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.955 53.4 -95.0-165.8 166.5 39.2 35.9 13.1 37 37 A N + 0 0 157 -2,-0.3 -2,-0.0 2,-0.0 0, 0.0 -0.803 38.4 173.6 -96.0 131.3 42.5 34.5 12.0 38 38 A L - 0 0 19 -2,-0.4 2,-0.2 2,-0.1 -2,-0.0 -0.975 29.5-116.1-131.3 143.4 43.1 30.8 12.2 39 39 A P + 0 0 111 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.494 66.8 27.7 -79.0 150.2 46.2 29.0 10.8 40 40 A G S S- 0 0 59 -2,-0.2 -2,-0.1 19,-0.1 2,-0.1 -0.339 94.0 -28.9 104.2-175.5 46.2 26.4 8.1 41 41 A R + 0 0 96 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.402 54.2 179.9 -77.3 147.3 44.2 25.5 5.1 42 42 A W - 0 0 123 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.954 19.4-133.5-134.5 166.2 40.5 26.2 4.8 43 43 A K E -I 58 0B 44 15,-2.0 15,-3.0 -2,-0.3 2,-0.2 -0.959 25.2-114.3-119.9 137.7 37.8 25.6 2.2 44 44 A P E +I 57 0B 108 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.506 46.3 167.3 -61.8 136.3 35.2 28.2 1.1 45 45 A K E -I 56 0B 79 11,-2.3 11,-2.7 -2,-0.2 2,-0.4 -0.927 27.6-135.7-144.0 165.6 31.8 27.0 2.0 46 46 A M E -I 55 0B 117 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.984 19.6-178.4-126.0 145.8 28.2 28.5 2.2 47 47 A I E -I 54 0B 23 7,-2.1 7,-2.7 -2,-0.4 2,-0.4 -0.968 15.0-139.7-141.9 148.5 25.7 28.1 5.0 48 48 A G E +I 53 0B 37 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.908 21.9 167.4-113.9 139.4 22.2 29.3 5.5 49 49 A G E > -I 52 0B 23 3,-2.7 3,-1.1 -2,-0.4 102,-0.1 -0.463 59.0 -58.6-124.8-157.4 20.5 30.6 8.6 50 50 A I T 3 S+ 0 0 41 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.807 133.1 40.5 -58.0 -33.3 17.3 32.4 9.4 51 51 A G T 3 S- 0 0 25 99,-2.3 2,-0.3 1,-0.4 -1,-0.2 0.414 121.6 -86.6-104.3 5.9 18.0 35.3 7.1 52 52 A G E < -I 49 0B 26 -3,-1.1 -3,-2.7 98,-0.6 -1,-0.4 -0.845 65.5 -27.4 121.8-157.8 19.6 33.5 4.1 53 53 A F E -I 48 0B 150 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.651 44.9-174.7-107.4 145.7 23.0 32.3 3.1 54 54 A I E -I 47 0B 21 -7,-2.7 -7,-2.1 -2,-0.3 2,-0.4 -0.909 26.6-115.3-128.2 158.8 26.5 33.5 3.9 55 55 A K E +I 46 0B 164 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.791 38.7 175.6 -87.7 139.0 30.0 32.6 2.8 56 56 A V E -I 45 0B 7 -11,-2.7 -11,-2.3 -2,-0.4 2,-0.5 -0.909 33.2-118.2-135.3 165.2 32.3 31.1 5.4 57 57 A R E -IJ 44 77B 45 20,-2.6 20,-2.5 -2,-0.3 2,-0.6 -0.936 29.5-144.8-102.5 125.6 35.8 29.7 5.7 58 58 A Q E -IJ 43 76B 43 -15,-3.0 -15,-2.0 -2,-0.5 2,-0.4 -0.839 17.3-175.3 -98.7 114.1 35.7 26.0 6.8 59 59 A Y E - J 0 75B 7 16,-2.6 16,-2.8 -2,-0.6 3,-0.3 -0.972 11.4-151.9-106.6 128.8 38.6 25.0 9.1 60 60 A D E + 0 0 85 -2,-0.4 14,-0.2 -19,-0.4 13,-0.1 -0.668 66.0 15.7-101.8 152.5 38.9 21.3 10.2 61 61 A Q E S+ 0 0 138 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.842 76.1 161.2 60.8 44.7 40.3 19.8 13.2 62 62 A I E - J 0 73B 20 11,-2.6 11,-2.1 -3,-0.3 2,-0.3 -0.822 35.2-131.0 -96.4 128.1 40.5 22.9 15.4 63 63 A P E + J 0 72B 78 0, 0.0 -47,-0.4 0, 0.0 2,-0.3 -0.585 29.8 172.0 -75.3 132.3 40.8 22.6 19.2 64 64 A I E - J 0 71B 5 7,-2.1 7,-1.9 -2,-0.3 2,-0.6 -0.960 23.5-148.2-133.7 135.9 38.5 24.6 21.3 65 65 A E E -EJ 14 70B 78 -51,-2.2 -51,-2.0 -2,-0.3 2,-0.7 -0.887 15.8-164.6-101.7 119.0 38.1 24.3 25.0 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-2.2 -2,-0.6 -53,-0.2 -0.925 72.3 -27.4-112.3 107.6 34.5 25.1 26.0 67 67 A C T 3 S- 0 0 53 -55,-2.1 -1,-0.2 -2,-0.7 -54,-0.1 0.870 129.0 -47.5 52.6 37.4 34.0 25.8 29.7 68 68 A G T 3 S+ 0 0 50 1,-0.2 2,-0.5 -56,-0.2 -1,-0.3 0.383 115.3 118.6 90.5 -5.1 37.0 23.6 30.3 69 69 A H E < - 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