==== 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 1T7J . 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) . 9776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.1 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 . 30 15.2 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 4 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 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 92 0, 0.0 198,-0.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 147.6 -2.1 7.3 34.8 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.861 360.0-158.6 -98.5 124.4 1.7 6.8 34.4 3 3 A I E -A 197 0A 38 194,-2.8 194,-2.3 -2,-0.5 2,-0.1 -0.906 2.2-154.2-111.8 122.3 2.7 3.6 32.6 4 4 A T - 0 0 73 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.405 16.8-131.4 -82.7 165.1 6.1 2.0 32.9 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.148 74.8 106.4-111.8 24.9 7.4 -0.2 30.1 6 6 A W S S+ 0 0 176 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.717 93.1 32.8 -70.8 -18.4 8.6 -3.4 31.8 7 7 A K S S- 0 0 173 -3,-0.3 0, 0.0 180,-0.0 0, 0.0 -0.897 110.4 -78.3-131.8 159.4 5.5 -5.0 30.3 8 8 A R - 0 0 141 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.386 48.2-118.5 -58.7 128.9 3.6 -4.3 27.0 9 9 A P + 0 0 5 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.470 50.5 170.6 -72.5 80.5 1.5 -1.2 27.6 10 10 A L E +D 23 0B 76 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.740 7.8 179.1 -95.6 141.4 -1.8 -3.0 27.0 11 11 A V E -D 22 0B 8 11,-3.0 11,-2.9 -2,-0.3 2,-0.5 -0.944 31.1-112.4-138.7 159.8 -5.2 -1.3 27.8 12 12 A T E -D 21 0B 82 -2,-0.3 55,-1.6 9,-0.2 2,-0.3 -0.799 36.0-172.2 -93.5 129.2 -8.8 -2.2 27.5 13 13 A I E -DE 20 66B 1 7,-3.2 7,-2.2 -2,-0.5 2,-0.5 -0.867 15.0-142.2-119.5 155.8 -10.6 -0.1 24.9 14 14 A R E +DE 19 65B 94 51,-2.3 51,-2.1 -2,-0.3 2,-0.3 -0.979 25.8 164.0-121.0 126.6 -14.3 0.1 24.2 15 15 A I E > S-D 18 0B 3 3,-2.5 3,-0.8 -2,-0.5 49,-0.1 -0.906 70.8 -9.3-146.0 113.2 -15.6 0.3 20.7 16 16 A G T 3 S- 0 0 67 47,-0.4 3,-0.1 -2,-0.3 -1,-0.1 0.931 126.0 -56.9 68.4 45.9 -19.1 -0.4 19.7 17 17 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.549 116.3 117.9 64.6 3.5 -20.2 -1.7 23.0 18 18 A Q E < -D 15 0B 114 -3,-0.8 -3,-2.5 2,-0.0 2,-0.6 -0.805 59.0-141.1-104.3 145.0 -17.4 -4.3 22.6 19 19 A L E +D 14 0B 115 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.915 28.5 168.3-109.8 115.6 -14.4 -4.5 24.9 20 20 A K E -D 13 0B 41 -7,-2.2 -7,-3.2 -2,-0.6 2,-0.4 -0.788 32.9-120.4-122.1 166.0 -11.0 -5.3 23.4 21 21 A E E +D 12 0B 122 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.897 36.3 175.1-106.1 131.7 -7.4 -5.2 24.4 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-3.0 -2,-0.4 2,-0.5 -0.971 28.2-119.3-140.2 156.4 -5.0 -2.9 22.6 23 23 A L E -Df 10 84B 13 60,-2.6 62,-2.7 -2,-0.3 2,-0.9 -0.808 21.5-129.3 -98.9 126.0 -1.4 -1.8 22.7 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.1 -0.647 36.6-174.7 -73.2 109.3 -0.4 1.9 23.2 25 25 A D > + 0 0 19 60,-2.3 3,-1.3 -2,-0.9 62,-0.3 -0.868 25.4 179.1-117.3 99.5 2.0 2.2 20.3 26 26 A T T 3 S+ 0 0 1 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.673 84.0 64.6 -72.3 -12.1 3.9 5.4 19.9 27 27 A G T 3 S+ 0 0 17 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.552 88.2 79.0 -85.4 -9.8 5.7 3.9 16.9 28 28 A A < - 0 0 17 -3,-1.3 59,-2.5 57,-0.2 60,-0.2 -0.881 61.5-161.0-102.8 129.7 2.5 3.6 14.9 29 29 A D S S+ 0 0 41 -2,-0.5 59,-1.4 57,-0.2 2,-0.3 0.824 78.8 39.5 -74.5 -31.2 1.1 6.8 13.2 30 30 A D S S- 0 0 67 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.762 85.9-109.4-119.8 165.7 -2.3 5.2 12.9 31 31 A T - 0 0 0 43,-0.4 45,-2.6 -2,-0.3 2,-0.5 -0.815 35.7-173.7 -93.0 122.8 -4.6 3.0 14.9 32 32 A V E -gH 76 84B 4 52,-1.7 52,-2.9 -2,-0.5 2,-0.3 -0.977 0.2-170.6-126.3 124.8 -5.0 -0.5 13.5 33 33 A L E -g 77 0B 0 43,-3.3 45,-2.5 -2,-0.5 3,-0.1 -0.800 27.8-100.3-114.6 154.0 -7.4 -3.1 14.8 34 34 A E - 0 0 78 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.208 64.9 -63.4 -64.5 158.1 -7.9 -6.8 14.2 35 35 A E S S+ 0 0 114 43,-0.3 2,-0.3 45,-0.2 -1,-0.2 -0.129 78.3 136.1 -45.7 131.9 -10.7 -7.9 11.8 36 36 A M - 0 0 23 -3,-0.1 2,-0.7 2,-0.0 -3,-0.0 -0.964 56.1 -91.9-170.3 166.3 -14.1 -7.0 13.2 37 37 A N + 0 0 154 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.820 40.8 174.8 -98.1 114.4 -17.4 -5.5 12.1 38 38 A L - 0 0 19 -2,-0.7 2,-0.1 2,-0.1 4,-0.0 -0.911 29.9-116.7-115.5 145.8 -17.8 -1.7 12.4 39 39 A P + 0 0 105 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.423 67.6 46.8 -77.7 153.7 -20.8 0.3 11.1 40 40 A G S S- 0 0 61 -2,-0.1 2,-0.4 19,-0.1 -2,-0.1 -0.343 92.5 -47.8 110.1 169.5 -20.5 2.9 8.4 41 41 A R - 0 0 99 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.684 57.6-169.3 -81.2 127.6 -19.1 3.5 5.0 42 42 A W - 0 0 124 -2,-0.4 17,-0.2 17,-0.1 -2,-0.1 -0.859 10.8-144.6-118.7 157.0 -15.4 2.4 4.8 43 43 A K E -I 58 0B 45 15,-1.7 15,-2.8 -2,-0.3 2,-0.1 -0.941 24.1-109.8-122.1 142.1 -12.8 3.0 2.2 44 44 A P E +I 57 0B 108 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.414 45.3 165.5 -68.3 143.0 -10.0 0.6 1.1 45 45 A K E -I 56 0B 27 11,-2.2 11,-3.1 -2,-0.1 2,-0.4 -0.962 27.7-136.7-151.4 165.3 -6.5 1.7 2.1 46 46 A M E -I 55 0B 111 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.997 17.9-174.6-131.6 132.0 -3.0 0.3 2.4 47 47 A I E -I 54 0B 26 7,-1.6 7,-2.3 -2,-0.4 2,-0.4 -0.880 18.0-131.3-122.6 157.3 -0.5 0.8 5.2 48 48 A G E +I 53 0B 45 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.903 25.0 175.0-113.0 136.1 3.1 -0.3 5.6 49 49 A G E > -I 52 0B 22 3,-3.5 3,-0.7 -2,-0.4 102,-0.1 -0.418 53.2 -73.8-118.0-162.9 4.6 -2.0 8.6 50 50 A I T 3 S+ 0 0 46 1,-0.2 101,-0.1 -2,-0.2 3,-0.1 0.864 130.9 38.6 -66.9 -34.0 8.0 -3.5 9.4 51 51 A G T 3 S- 0 0 25 99,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.366 124.8 -75.1 -99.9 6.3 7.4 -6.5 7.2 52 52 A G E < -I 49 0B 25 -3,-0.7 -3,-3.5 98,-0.6 2,-0.3 -0.894 64.5 -40.4 136.9-167.0 5.6 -4.9 4.2 53 53 A F E -I 48 0B 150 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.782 44.2-173.0-104.5 144.5 2.3 -3.5 3.2 54 54 A I E -I 47 0B 19 -7,-2.3 -7,-1.6 -2,-0.3 2,-0.4 -0.851 26.7-112.5-128.2 164.3 -1.2 -4.8 3.9 55 55 A K E +I 46 0B 165 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.826 39.8 176.7 -97.2 137.2 -4.7 -3.9 2.8 56 56 A V E -I 45 0B 7 -11,-3.1 -11,-2.2 -2,-0.4 2,-0.5 -0.894 31.6-117.1-135.8 166.1 -7.0 -2.4 5.5 57 57 A R E -IJ 44 77B 41 20,-3.0 20,-2.6 -2,-0.3 2,-0.5 -0.919 30.0-143.8-105.1 126.0 -10.5 -1.0 5.8 58 58 A Q E -IJ 43 76B 58 -15,-2.8 -15,-1.7 -2,-0.5 2,-0.5 -0.813 15.8-173.7 -96.7 125.0 -10.6 2.7 6.8 59 59 A Y E - J 0 75B 8 16,-2.5 16,-2.7 -2,-0.5 3,-0.3 -0.970 14.2-146.7-116.3 127.4 -13.4 3.9 9.1 60 60 A D E + 0 0 89 -19,-0.5 14,-0.2 -2,-0.5 13,-0.1 -0.594 67.1 7.0 -96.0 155.7 -13.6 7.6 9.8 61 61 A Q E S+ 0 0 148 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.905 77.3 172.0 43.4 61.0 -14.8 9.5 13.0 62 62 A I E - J 0 73B 18 11,-3.3 11,-2.0 -3,-0.3 2,-0.4 -0.865 30.5-130.3-102.2 130.2 -15.1 6.4 15.2 63 63 A P E + J 0 72B 65 0, 0.0 2,-0.4 0, 0.0 -47,-0.4 -0.650 34.0 172.7 -79.2 126.6 -15.7 6.9 18.9 64 64 A I E - J 0 71B 0 7,-3.1 7,-2.1 -2,-0.4 2,-0.5 -0.999 24.2-147.6-140.1 136.4 -13.3 4.9 21.1 65 65 A E E -EJ 14 70B 58 -51,-2.1 -51,-2.3 -2,-0.4 2,-0.6 -0.909 11.7-170.1-106.7 123.9 -12.8 4.9 24.8 66 66 A I E > S-EJ 13 69B 0 3,-3.0 3,-1.2 -2,-0.5 -53,-0.2 -0.926 75.5 -31.0-117.7 103.4 -9.3 4.2 26.0 67 67 A C T 3 S- 0 0 69 -55,-1.6 -1,-0.2 -2,-0.6 -54,-0.1 0.932 127.3 -44.7 52.3 50.7 -9.1 3.6 29.8 68 68 A G T 3 S+ 0 0 58 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.529 115.7 117.4 75.1 4.5 -12.0 5.9 30.3 69 69 A H E < - J 0 66B 63 -3,-1.2 -3,-3.0 2,-0.0 2,-0.3 -0.929 59.2-135.4-108.6 126.4 -10.7 8.6 28.0 70 70 A K E + J 0 65B 123 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.605 27.0 170.0 -85.4 138.6 -12.8 9.4 24.9 71 71 A A E - 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