==== 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 02-DEC-05 2F8G . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR A.Y.KOVALEVSKY,I.T.WEBER . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 63.6 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 . 20 10.1 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 2 3 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 84 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 164.0 -0.2 38.9 18.3 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.993 360.0-162.9-114.6 122.4 -0.1 36.5 21.3 3 3 A I E -A 197 0A 36 194,-3.2 194,-2.3 -2,-0.5 2,-0.1 -0.930 5.2-150.0-112.9 115.2 0.8 33.0 20.2 4 4 A T - 0 0 69 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.345 14.0-131.5 -76.9 170.1 0.1 30.1 22.5 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.178 73.7 108.9-119.6 20.4 2.2 27.0 22.5 6 6 A W S S+ 0 0 190 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.828 93.4 22.4 -60.5 -33.1 -0.3 24.2 22.3 7 7 A K S S- 0 0 166 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.802 111.0 -69.5-123.7 169.1 0.8 23.6 18.7 8 8 A R - 0 0 103 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.392 49.8-119.4 -58.7 133.6 4.0 24.5 16.8 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.3 -0.497 48.0 170.2 -80.7 80.0 4.2 28.3 16.3 10 10 A L E +D 23 0B 68 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.722 6.4 174.7 -91.6 138.3 4.3 28.4 12.6 11 11 A V E -D 22 0B 19 11,-2.8 11,-2.7 -2,-0.3 2,-0.4 -0.911 34.0-102.9-135.6 165.4 3.9 31.6 10.6 12 12 A T E -D 21 0B 89 -2,-0.3 55,-2.6 9,-0.2 2,-0.3 -0.749 38.9-173.9 -87.4 132.6 4.1 32.7 6.9 13 13 A I E -DE 20 66B 1 7,-3.2 7,-2.4 -2,-0.4 2,-0.4 -0.880 18.7-145.0-119.1 156.6 7.3 34.4 5.9 14 14 A K E +DE 19 65B 101 51,-2.2 51,-2.2 -2,-0.3 2,-0.3 -0.995 31.1 158.0-120.1 123.9 8.3 36.1 2.6 15 15 A I E > -DE 18 64B 1 3,-2.4 3,-2.3 -2,-0.4 49,-0.1 -0.992 64.9 -1.7-148.1 132.5 11.9 35.7 1.7 16 16 A G T 3 S- 0 0 45 47,-0.6 3,-0.1 -2,-0.3 21,-0.1 0.805 129.8 -56.9 57.5 30.2 13.6 36.0 -1.7 17 17 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.407 117.0 112.7 84.3 -3.5 10.3 36.6 -3.3 18 18 A Q E < -D 15 0B 86 -3,-2.3 -3,-2.4 2,-0.0 2,-0.4 -0.828 62.8-135.2-109.9 140.7 8.9 33.4 -2.0 19 19 A L E +D 14 0B 128 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.825 35.6 165.7 -90.2 133.0 6.2 32.6 0.6 20 20 A K E -D 13 0B 34 -7,-2.4 -7,-3.2 -2,-0.4 2,-0.4 -0.942 36.8-116.8-140.7 160.8 7.2 29.9 3.1 21 21 A E E +D 12 0B 122 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.838 38.9 178.7 -95.3 140.4 6.0 28.5 6.4 22 22 A A E -D 11 0B 1 -11,-2.7 -11,-2.8 -2,-0.4 2,-0.5 -0.984 27.9-118.6-145.7 154.7 8.5 28.8 9.3 23 23 A L E -Df 10 84B 2 60,-2.9 62,-2.9 -2,-0.3 2,-0.7 -0.798 21.7-132.0 -92.6 124.6 8.8 28.0 12.9 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.2 -0.675 35.8-173.4 -73.9 110.9 9.3 30.8 15.5 25 25 A D > + 0 0 14 60,-2.7 3,-1.9 -2,-0.7 62,-0.3 -0.809 28.3 179.3-125.8 95.9 12.1 29.2 17.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 99,-0.1 0.718 86.5 62.2 -67.7 -16.7 13.5 30.9 20.6 27 27 A G T 3 S+ 0 0 18 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.407 88.1 86.4 -84.9 -1.6 16.0 28.0 20.9 28 28 A A < - 0 0 16 -3,-1.9 59,-3.1 57,-0.2 60,-0.2 -0.890 56.7-166.6-102.9 124.7 17.7 28.9 17.6 29 29 A D S S+ 0 0 50 -2,-0.5 59,-1.4 57,-0.2 2,-0.3 0.884 78.5 35.3 -64.7 -41.1 20.4 31.5 17.7 30 30 A D S S- 0 0 56 57,-0.2 2,-0.4 56,-0.1 57,-0.1 -0.763 84.9-111.3-120.9 152.3 20.3 31.8 13.9 31 31 A T E -g 75 0B 0 43,-0.5 45,-2.6 -2,-0.3 2,-0.4 -0.800 34.6-171.8 -85.5 129.8 17.6 31.7 11.2 32 32 A V E -gH 76 84B 6 52,-1.8 52,-3.0 -2,-0.4 2,-0.3 -0.996 2.6-174.3-133.4 122.2 17.9 28.6 9.0 33 33 A I E -g 77 0B 0 43,-2.9 45,-2.3 -2,-0.4 47,-0.2 -0.893 30.3-101.5-117.6 147.3 15.9 28.0 5.8 34 34 A E - 0 0 79 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.166 67.5 -57.0 -57.5 159.0 15.7 25.0 3.4 35 35 A E S S+ 0 0 111 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.089 78.6 132.7 -52.1 129.2 17.6 25.1 0.2 36 36 A M - 0 0 17 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.949 55.4 -94.8-163.7 160.7 16.7 28.1 -2.0 37 37 A S - 0 0 98 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.681 36.7-179.5 -82.8 142.7 18.6 30.7 -4.0 38 38 A L - 0 0 9 -2,-0.3 2,-0.1 2,-0.1 24,-0.0 -0.981 27.7-112.5-136.1 148.2 19.3 34.1 -2.5 39 39 A P S S+ 0 0 103 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.361 70.6 26.7 -75.9 159.7 21.1 37.0 -4.2 40 40 A G S S- 0 0 65 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.288 95.4 -23.7 94.3-173.3 24.5 38.3 -3.2 41 41 A R + 0 0 227 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.309 54.6 179.3 -73.9 151.2 27.6 36.9 -1.4 42 42 A W - 0 0 131 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.974 13.1-157.6-145.4 162.9 27.7 34.0 0.9 43 43 A K E -I 58 0B 111 15,-1.5 15,-3.0 -2,-0.3 2,-0.1 -0.984 30.6-100.9-137.4 154.9 30.2 32.0 2.9 44 44 A P E +I 57 0B 81 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.409 41.2 173.2 -77.2 152.4 30.1 28.5 4.2 45 45 A K E -I 56 0B 76 11,-2.0 11,-3.1 -2,-0.1 2,-0.4 -0.976 25.9-136.9-149.8 151.5 29.2 27.7 7.9 46 46 A M E -I 55 0B 119 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.971 21.3-171.7-113.4 132.7 28.6 24.7 10.1 47 47 A I E -I 54 0B 16 7,-2.4 7,-2.4 -2,-0.4 2,-0.4 -0.972 7.1-152.9-123.9 143.5 25.7 24.8 12.5 48 48 A G E +I 53 0B 43 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.877 24.8 144.4-120.0 146.2 25.0 22.2 15.2 49 49 A G E > -I 52 0B 19 3,-2.6 3,-1.5 -2,-0.4 2,-0.2 -0.600 64.1 -31.3-147.3-154.9 21.8 21.1 16.9 50 50 A V T 3 S+ 0 0 18 1,-0.3 101,-1.7 -2,-0.2 102,-0.5 -0.559 133.0 29.0 -68.7 138.0 20.3 17.9 18.2 51 51 A G T 3 S- 0 0 33 128,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.188 122.8 -87.7 92.4 -21.5 21.7 15.2 15.9 52 52 A G E < -I 49 0B 28 -3,-1.5 -3,-2.6 100,-0.1 2,-0.3 -0.866 66.5 -25.5 117.5-155.3 24.9 17.0 15.1 53 53 A F E -I 48 0B 147 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.734 38.4-165.7-109.5 151.6 26.0 19.5 12.5 54 54 A I E -I 47 0B 20 -7,-2.4 -7,-2.4 -2,-0.3 2,-0.4 -0.959 26.0-119.6-124.8 151.1 24.9 20.6 9.0 55 55 A K E +I 46 0B 140 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.758 39.5 175.9 -87.4 134.5 26.8 22.7 6.4 56 56 A V E -I 45 0B 3 -11,-3.1 -11,-2.0 -2,-0.4 2,-0.5 -0.861 32.9-116.0-132.7 165.4 25.0 25.8 5.4 57 57 A R E -IJ 44 77B 53 20,-2.6 20,-2.4 -2,-0.3 2,-0.7 -0.931 28.8-143.9-100.8 129.4 25.5 28.9 3.2 58 58 A Q E -IJ 43 76B 29 -15,-3.0 -15,-1.5 -2,-0.5 2,-0.5 -0.854 17.5-175.7-100.6 114.8 25.5 32.2 5.2 59 59 A Y E - J 0 75B 8 16,-2.6 16,-2.6 -2,-0.7 3,-0.3 -0.944 11.3-153.6-107.5 128.0 23.9 35.1 3.5 60 60 A D E + 0 0 70 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.623 67.4 23.2 -99.8 160.1 24.0 38.5 5.3 61 61 A Q E S+ 0 0 163 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.924 77.3 158.7 56.4 50.9 21.7 41.5 5.0 62 62 A I E - J 0 73B 17 11,-2.7 11,-1.9 -3,-0.3 2,-0.4 -0.883 34.8-135.5-104.7 133.0 18.6 39.5 3.8 63 63 A I E + J 0 72B 83 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.708 25.4 177.6 -90.1 134.2 15.2 41.0 4.2 64 64 A I E -EJ 15 71B 0 7,-2.6 7,-2.5 -2,-0.4 2,-0.5 -0.985 23.6-144.5-131.3 142.8 12.4 38.8 5.4 65 65 A E E -EJ 14 70B 79 -51,-2.2 -51,-2.2 -2,-0.4 2,-0.6 -0.965 19.9-166.1-104.8 123.1 8.8 39.6 6.2 66 66 A I E > -EJ 13 69B 0 3,-3.0 3,-1.8 -2,-0.5 -53,-0.2 -0.964 69.3 -31.5-120.0 110.5 7.7 37.5 9.2 67 67 A A T 3 S- 0 0 42 -55,-2.6 -1,-0.2 -2,-0.6 -54,-0.1 0.855 129.4 -42.7 43.7 44.7 3.9 37.4 9.8 68 68 A G T 3 S+ 0 0 54 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.484 117.9 109.2 90.2 0.4 3.6 40.9 8.3 69 69 A H E < - J 0 66B 71 -3,-1.8 -3,-3.0 2,-0.0 2,-0.2 -0.948 61.0-136.8-117.0 123.9 6.7 42.4 10.1 70 70 A K E + J 0 65B 151 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.523 29.8 163.8 -81.9 144.3 9.8 43.3 8.1 71 71 A A E - 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