==== 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 01-DEC-05 2F81 . 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) . 9893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 64.1 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 . 21 10.6 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 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 85 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 172.6 29.6 47.4 18.1 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.991 360.0-161.0-105.0 122.7 29.4 49.6 21.2 3 3 A I E -A 197 0A 32 194,-3.6 194,-2.5 -2,-0.5 2,-0.1 -0.936 3.0-150.3-115.6 119.3 28.4 53.0 20.1 4 4 A T - 0 0 70 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.370 14.5-130.9 -81.3 169.5 29.1 55.9 22.5 5 5 A L S S+ 0 0 2 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.182 75.5 107.1-114.8 19.7 26.9 59.0 22.4 6 6 A W S S+ 0 0 188 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.839 93.1 24.0 -62.8 -32.1 29.4 61.8 22.2 7 7 A K S S- 0 0 167 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.792 110.5 -71.8-123.9 167.1 28.4 62.3 18.6 8 8 A R - 0 0 138 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.392 50.0-119.0 -57.2 132.7 25.2 61.4 16.8 9 9 A P + 0 0 4 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.477 47.1 172.6 -81.8 77.8 24.9 57.6 16.3 10 10 A L E +D 23 0B 72 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.700 5.7 177.8 -86.4 137.6 24.9 57.6 12.5 11 11 A V E -D 22 0B 19 11,-2.9 11,-2.6 -2,-0.3 2,-0.4 -0.923 31.5-106.6-136.0 160.7 25.2 54.3 10.6 12 12 A T E -D 21 0B 89 -2,-0.3 55,-2.5 9,-0.2 2,-0.3 -0.756 38.4-175.1 -87.6 132.9 25.1 53.2 7.0 13 13 A I E -DE 20 66B 1 7,-3.3 7,-2.2 -2,-0.4 2,-0.4 -0.871 20.0-145.2-120.1 160.2 22.0 51.5 5.8 14 14 A K E +DE 19 65B 82 51,-2.2 51,-2.4 -2,-0.3 2,-0.3 -0.995 30.4 158.7-126.0 125.7 21.0 49.8 2.6 15 15 A I E > -DE 18 64B 1 3,-2.3 3,-2.3 -2,-0.4 49,-0.1 -0.995 65.8 -2.2-147.9 129.4 17.4 50.3 1.6 16 16 A G T 3 S- 0 0 44 47,-0.6 21,-0.1 -2,-0.3 3,-0.1 0.818 129.4 -57.5 57.9 32.1 15.7 49.9 -1.8 17 17 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.464 116.4 113.3 80.5 0.4 19.1 49.2 -3.3 18 18 A Q E < -D 15 0B 79 -3,-2.3 -3,-2.3 2,-0.0 2,-0.4 -0.889 62.6-135.1-112.0 139.8 20.5 52.5 -2.0 19 19 A L E +D 14 0B 123 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.794 36.2 164.4 -89.0 133.0 23.1 53.3 0.6 20 20 A K E -D 13 0B 30 -7,-2.2 -7,-3.3 -2,-0.4 2,-0.4 -0.924 36.8-117.9-141.5 160.2 22.2 56.0 3.0 21 21 A E E +D 12 0B 115 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.852 37.3 177.6 -99.9 140.9 23.2 57.4 6.4 22 22 A A E -D 11 0B 1 -11,-2.6 -11,-2.9 -2,-0.4 2,-0.5 -0.984 28.7-115.8-145.8 155.9 20.7 57.2 9.2 23 23 A L E -Df 10 84B 11 60,-2.8 62,-2.9 -2,-0.3 2,-0.7 -0.787 22.2-131.7 -91.4 124.1 20.5 58.0 12.9 24 24 A L E - f 0 85B 1 -15,-2.8 2,-0.6 -2,-0.5 62,-0.2 -0.683 36.0-173.3 -75.2 110.1 20.0 55.2 15.4 25 25 A D > + 0 0 15 60,-2.7 3,-2.0 -2,-0.7 62,-0.3 -0.818 28.0 180.0-125.5 97.3 17.1 56.8 17.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.682 86.7 61.9 -67.2 -17.4 15.8 55.2 20.5 27 27 A G T 3 S+ 0 0 17 81,-0.1 2,-0.6 96,-0.1 -1,-0.3 0.391 88.9 85.0 -85.0 -3.2 13.3 58.0 20.8 28 28 A A < - 0 0 14 -3,-2.0 59,-3.0 57,-0.2 60,-0.2 -0.885 56.8-166.9-103.2 124.1 11.7 57.0 17.5 29 29 A D S S+ 0 0 48 -2,-0.6 59,-1.4 57,-0.2 2,-0.3 0.905 77.9 36.0 -66.2 -43.6 9.0 54.4 17.6 30 30 A D S S- 0 0 53 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.723 85.5-111.1-113.0 154.5 9.1 54.0 13.8 31 31 A T E -g 75 0B 0 43,-0.5 45,-2.6 -2,-0.3 2,-0.4 -0.800 34.7-171.3 -82.8 129.3 11.8 54.2 11.1 32 32 A V E -gH 76 84B 5 52,-2.0 52,-3.0 -2,-0.4 2,-0.3 -0.995 2.3-172.4-134.5 124.5 11.4 57.3 8.9 33 33 A I E -g 77 0B 0 43,-2.9 45,-2.4 -2,-0.4 47,-0.2 -0.868 30.6-101.2-117.4 145.6 13.4 57.9 5.7 34 34 A E - 0 0 81 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.192 68.5 -59.2 -57.7 155.3 13.7 60.9 3.4 35 35 A E S S+ 0 0 109 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.087 78.0 134.2 -50.9 129.1 11.7 60.7 0.2 36 36 A M - 0 0 16 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.936 55.0 -93.3-161.5 162.2 12.6 57.8 -2.0 37 37 A S + 0 0 92 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.727 37.9 179.2 -84.9 143.4 10.8 55.2 -4.0 38 38 A L - 0 0 16 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.968 29.0-108.7-136.1 149.1 10.1 51.8 -2.5 39 39 A P S S+ 0 0 101 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.408 71.0 20.6 -78.9 160.3 8.2 49.0 -4.2 40 40 A G S S- 0 0 64 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.170 95.6 -21.6 80.8-162.5 4.8 47.7 -3.3 41 41 A R + 0 0 175 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.350 54.0 179.8 -78.7 156.3 1.8 49.1 -1.5 42 42 A W - 0 0 85 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.955 12.7-155.2-147.6 162.3 1.7 52.0 0.9 43 43 A K E -I 58 0B 107 15,-1.5 15,-3.1 -2,-0.3 2,-0.1 -0.984 30.3-100.8-139.0 153.7 -0.7 53.9 3.0 44 44 A P E +I 57 0B 91 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.424 40.6 173.5 -77.2 150.4 -0.7 57.4 4.3 45 45 A K E -I 56 0B 76 11,-2.0 11,-3.0 -2,-0.1 2,-0.4 -0.975 25.1-138.2-146.5 152.6 0.2 58.1 8.0 46 46 A M E -I 55 0B 114 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.970 21.3-171.9-112.4 133.2 0.9 61.2 10.1 47 47 A I E -I 54 0B 18 7,-2.3 7,-2.4 -2,-0.4 2,-0.4 -0.962 7.7-150.8-126.2 145.3 3.8 61.1 12.6 48 48 A G E +I 53 0B 44 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.899 25.9 139.9-121.8 143.0 4.5 63.6 15.2 49 49 A G E > -I 52 0B 20 3,-2.6 3,-1.8 -2,-0.4 2,-0.2 -0.627 64.0 -29.8-148.4-150.2 7.5 65.0 17.0 50 50 A I T 3 S+ 0 0 22 1,-0.3 101,-1.6 -2,-0.2 102,-0.5 -0.549 132.2 30.0 -72.0 143.5 8.9 68.2 18.2 51 51 A G T 3 S- 0 0 32 128,-0.4 2,-0.3 -2,-0.2 -1,-0.3 0.251 122.4 -89.7 96.0 -28.4 7.6 70.7 15.8 52 52 A G E < -I 49 0B 27 -3,-1.8 -3,-2.6 100,-0.1 99,-0.4 -0.806 64.9 -28.2 111.3-156.9 4.4 68.9 15.1 53 53 A F E -I 48 0B 133 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.657 38.0-164.9-108.3 152.9 3.4 66.3 12.4 54 54 A I E -I 47 0B 21 -7,-2.4 -7,-2.3 -2,-0.2 2,-0.4 -0.966 25.9-118.5-126.7 152.0 4.4 65.3 8.9 55 55 A K E +I 46 0B 151 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.779 39.2 175.3 -88.1 132.4 2.6 63.2 6.4 56 56 A V E -I 45 0B 3 -11,-3.0 -11,-2.0 -2,-0.4 2,-0.5 -0.860 33.1-114.9-131.0 165.1 4.5 60.0 5.4 57 57 A R E -IJ 44 77B 50 20,-2.7 20,-2.4 -2,-0.3 2,-0.6 -0.915 29.1-143.7 -96.9 129.1 4.0 56.9 3.2 58 58 A Q E -IJ 43 76B 28 -15,-3.1 -15,-1.5 -2,-0.5 2,-0.5 -0.860 17.6-175.2 -98.4 115.4 4.0 53.7 5.2 59 59 A Y E - J 0 75B 10 16,-2.8 16,-2.8 -2,-0.6 3,-0.3 -0.944 11.2-153.0-107.2 129.1 5.6 50.7 3.5 60 60 A D E + 0 0 68 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.661 67.5 21.8 -98.4 159.4 5.4 47.4 5.2 61 61 A Q E S+ 0 0 161 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.903 77.5 160.1 57.6 46.4 7.8 44.4 5.0 62 62 A I E - J 0 73B 17 11,-2.6 11,-2.1 -3,-0.3 2,-0.4 -0.867 33.9-136.8 -99.8 134.1 10.7 46.4 3.8 63 63 A I E + J 0 72B 96 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.737 25.1 178.2 -91.5 134.0 14.2 44.9 4.2 64 64 A I E -EJ 15 71B 0 7,-2.9 7,-2.3 -2,-0.4 2,-0.6 -0.997 25.1-141.8-134.6 140.4 17.0 47.1 5.4 65 65 A E E -EJ 14 70B 77 -51,-2.4 -51,-2.2 -2,-0.4 2,-0.5 -0.920 22.0-168.1 -96.5 121.5 20.6 46.3 6.1 66 66 A I E > S-EJ 13 69B 0 3,-2.9 3,-1.9 -2,-0.6 -53,-0.2 -0.972 70.7 -29.8-119.9 113.5 21.6 48.3 9.2 67 67 A A T 3 S- 0 0 40 -55,-2.5 -1,-0.2 -2,-0.5 -54,-0.1 0.869 128.5 -45.8 46.6 42.6 25.3 48.4 9.8 68 68 A G T 3 S+ 0 0 77 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.538 117.8 111.6 84.0 2.5 25.6 45.0 8.2 69 69 A H E < - J 0 66B 70 -3,-1.9 -3,-2.9 2,-0.0 2,-0.2 -0.951 63.0-133.9-116.2 125.6 22.6 43.5 10.0 70 70 A K E + J 0 65B 158 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.516 29.9 169.2 -79.6 143.3 19.5 42.6 8.0 71 71 A A E - 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