==== 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 30-AUG-05 2AVO . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR F.LIU,P.I.BOROSS,Y.F.WANG,J.TOZSER,J.M.LOUIS,R.W.HARRISON,I. . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.2 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 . 22 11.1 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 91 0, 0.0 198,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 169.0 14.0 14.3 29.7 2 2 A Q E -A 198 0A 124 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.986 360.0-163.2-123.4 137.7 17.4 14.5 28.1 3 3 A I E -A 197 0A 34 194,-2.8 194,-2.6 -2,-0.4 2,-0.1 -0.976 9.0-149.7-124.5 123.1 18.2 15.4 24.5 4 4 A T - 0 0 69 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.315 15.1-129.6 -80.8 171.4 21.5 14.7 23.0 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.211 75.0 107.2-117.5 17.2 23.0 16.8 20.2 6 6 A W S S+ 0 0 185 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.838 95.2 19.4 -59.4 -35.8 24.0 14.2 17.5 7 7 A K S S- 0 0 165 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.818 113.1 -66.7-125.8 166.4 21.0 15.4 15.5 8 8 A R - 0 0 120 -2,-0.3 2,-1.8 1,-0.1 119,-0.1 -0.347 54.0-118.1 -53.3 132.8 18.9 18.6 15.6 9 9 A P + 0 0 2 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.552 47.5 172.3 -81.8 83.7 17.0 18.6 18.9 10 10 A L E +D 23 0B 74 -2,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.760 6.7 173.6 -96.5 138.1 13.5 18.6 17.5 11 11 A V E -D 22 0B 18 11,-2.6 11,-2.7 -2,-0.4 2,-0.4 -0.892 35.6 -99.2-132.9 164.0 10.4 18.2 19.7 12 12 A T E -D 21 0B 87 -2,-0.3 55,-2.7 9,-0.2 56,-0.3 -0.743 40.6-175.1 -85.8 136.5 6.6 18.3 19.2 13 13 A I E -DE 20 66B 2 7,-3.1 7,-2.2 -2,-0.4 2,-0.4 -0.839 18.4-144.4-122.4 161.6 4.9 21.6 20.1 14 14 A K E +DE 19 65B 98 51,-2.2 51,-2.0 -2,-0.3 2,-0.3 -0.994 29.3 157.6-126.7 126.9 1.3 22.7 20.2 15 15 A I E > -DE 18 64B 1 3,-2.4 3,-2.2 -2,-0.4 49,-0.1 -0.990 66.6 -1.2-149.0 132.3 0.5 26.3 19.2 16 16 A G T 3 S- 0 0 52 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.778 130.0 -56.5 59.6 27.2 -2.8 27.8 18.0 17 17 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.546 116.2 109.3 79.9 11.5 -4.4 24.4 18.1 18 18 A Q E < -D 15 0B 118 -3,-2.2 -3,-2.4 2,-0.0 2,-0.4 -0.930 62.9-133.8-121.7 142.6 -1.9 22.8 15.8 19 19 A L E +D 14 0B 123 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.778 35.3 164.2 -90.3 136.4 0.9 20.3 16.4 20 20 A K E -D 13 0B 34 -7,-2.2 -7,-3.1 -2,-0.4 2,-0.4 -0.921 37.6-112.7-142.0 164.9 4.3 21.1 14.9 21 21 A E E -D 12 0B 128 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.878 39.3-179.7 -99.6 139.9 7.9 20.1 15.2 22 22 A A E -D 11 0B 1 -11,-2.7 -11,-2.6 -2,-0.4 2,-0.4 -0.975 26.5-116.5-144.9 153.9 10.3 22.6 16.6 23 23 A L E -Df 10 84B 8 60,-3.1 62,-3.1 -2,-0.3 2,-0.7 -0.735 20.9-132.7 -92.6 129.3 14.0 23.0 17.4 24 24 A I E - f 0 85B 1 -15,-2.6 2,-0.6 -2,-0.4 62,-0.1 -0.752 34.9-174.6 -79.5 110.7 15.2 23.6 20.9 25 25 A D > + 0 0 14 60,-2.7 3,-1.3 -2,-0.7 62,-0.3 -0.845 27.2 178.9-126.1 97.6 17.6 26.5 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 99,-0.1 0.702 86.5 59.9 -66.6 -20.0 19.7 27.9 23.2 27 27 A G T 3 S+ 0 0 12 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.608 87.5 88.5 -81.3 -13.2 21.3 30.4 20.7 28 28 A A < - 0 0 17 -3,-1.3 59,-3.0 57,-0.2 60,-0.2 -0.744 55.7-166.4 -91.3 125.1 17.9 32.0 19.9 29 29 A D S S+ 0 0 71 -2,-0.5 59,-1.1 57,-0.2 2,-0.2 0.849 77.3 35.7 -70.3 -33.5 16.8 34.9 22.1 30 30 A D S S- 0 0 49 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.693 83.5-111.2-121.8 164.8 13.3 34.7 20.7 31 31 A T - 0 0 0 43,-0.5 45,-2.7 -2,-0.2 2,-0.5 -0.894 30.9-170.3-105.2 127.8 10.8 32.0 19.5 32 32 A V E -gH 76 84B 10 52,-1.9 52,-3.2 -2,-0.5 2,-0.4 -0.983 0.4-168.8-128.2 119.5 10.1 32.0 15.7 33 33 A I E -g 77 0B 0 43,-3.1 45,-2.1 -2,-0.5 47,-0.2 -0.862 29.8-101.8-114.1 139.5 7.3 30.0 14.2 34 34 A E E -g 78 0B 80 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.219 64.7 -63.3 -54.5 150.7 6.7 29.3 10.5 35 35 A E S S+ 0 0 102 43,-0.8 2,-0.3 45,-0.2 -1,-0.2 -0.006 73.3 151.8 -43.7 125.1 4.0 31.3 8.8 36 36 A M - 0 0 24 -3,-0.2 2,-1.5 2,-0.0 -3,-0.1 -0.974 51.8-108.0-157.1 152.0 0.6 30.5 10.4 37 37 A S + 0 0 118 -2,-0.3 -2,-0.1 -21,-0.1 40,-0.0 -0.497 43.5 177.1 -88.5 70.2 -2.6 32.4 10.8 38 38 A L - 0 0 16 -2,-1.5 -2,-0.0 1,-0.1 39,-0.0 -0.452 30.1-108.8 -73.2 141.3 -2.7 33.1 14.6 39 39 A P + 0 0 111 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.238 66.0 10.7 -72.7 153.5 -5.6 35.2 15.9 40 40 A G S S- 0 0 63 19,-0.0 2,-0.1 2,-0.0 -2,-0.0 -0.260 93.3 -14.2 92.3-170.8 -5.7 38.8 17.1 41 41 A R + 0 0 243 -2,-0.0 19,-0.3 19,-0.0 2,-0.3 -0.313 54.4 172.9 -76.8 158.5 -3.4 41.8 17.2 42 42 A W - 0 0 122 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.931 23.8-129.1-155.2 165.3 0.3 41.7 16.5 43 43 A K E -I 58 0B 104 15,-1.8 15,-2.9 -2,-0.3 13,-0.1 -0.979 29.1-108.5-125.5 138.1 3.2 44.2 16.1 44 44 A P E +I 57 0B 106 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.382 44.7 171.8 -64.5 145.4 5.7 44.4 13.2 45 45 A K E -I 56 0B 69 11,-2.1 11,-2.6 -2,-0.1 2,-0.4 -0.983 26.9-146.3-148.7 154.2 9.3 43.3 14.2 46 46 A M E -I 55 0B 101 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.994 20.0-169.8-120.9 136.2 12.6 42.7 12.4 47 47 A I E -I 54 0B 33 7,-2.3 7,-2.3 -2,-0.4 2,-0.5 -0.954 13.9-131.2-130.8 146.5 14.9 40.0 13.8 48 48 A G E +I 53 0B 43 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.817 23.2 173.6-106.8 129.4 18.5 39.1 13.0 49 49 A G E > -I 52 0B 23 3,-3.0 3,-0.7 -2,-0.5 102,-0.1 -0.435 56.5 -77.0-108.1-167.2 20.0 35.8 12.2 50 50 A I T 3 S+ 0 0 33 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.787 131.1 43.1 -64.2 -27.1 23.4 34.8 11.0 51 51 A G T 3 S- 0 0 26 99,-2.4 2,-0.3 1,-0.3 100,-0.2 0.495 123.1 -79.7 -97.1 -8.6 22.6 36.0 7.5 52 52 A G E < -I 49 0B 28 -3,-0.7 -3,-3.0 98,-0.6 -1,-0.3 -0.914 64.7 -38.7 135.2-165.6 20.7 39.2 8.1 53 53 A F E -I 48 0B 132 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.692 39.7-167.5-102.1 151.7 17.3 40.3 9.2 54 54 A I E -I 47 0B 28 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.4 -0.931 26.5-112.6-129.8 157.1 13.8 39.1 8.4 55 55 A K E +I 46 0B 161 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.747 41.3 169.4 -88.4 133.1 10.3 40.6 8.9 56 56 A V E -I 45 0B 8 -11,-2.6 -11,-2.1 -2,-0.4 2,-0.5 -0.906 35.2-116.1-138.6 163.6 8.1 38.9 11.4 57 57 A R E -IJ 44 77B 46 20,-2.6 20,-2.4 -2,-0.3 2,-0.6 -0.929 28.5-141.7-100.7 126.1 4.8 39.5 13.3 58 58 A Q E -IJ 43 76B 28 -15,-2.9 -15,-1.8 -2,-0.5 2,-0.5 -0.818 18.5-174.7 -94.3 118.9 5.1 39.7 17.0 59 59 A Y E - J 0 75B 8 16,-2.7 16,-2.7 -2,-0.6 3,-0.3 -0.958 11.5-150.3-111.0 129.8 2.3 38.1 19.0 60 60 A D E + 0 0 79 -2,-0.5 14,-0.2 -19,-0.3 13,-0.1 -0.633 68.6 17.4-100.4 155.8 2.2 38.4 22.8 61 61 A Q E S+ 0 0 133 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.877 79.2 161.9 58.4 44.7 0.9 36.1 25.5 62 62 A I E - J 0 73B 27 11,-2.8 11,-2.3 -3,-0.3 2,-0.5 -0.766 34.4-133.7 -95.8 132.6 0.7 33.1 23.2 63 63 A I E + J 0 72B 89 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.792 26.6 177.3 -90.6 132.9 0.5 29.7 24.8 64 64 A I E -EJ 15 71B 0 7,-2.7 7,-2.5 -2,-0.5 2,-0.5 -0.950 21.1-148.0-128.1 144.7 2.8 27.0 23.5 65 65 A E E -EJ 14 70B 55 -51,-2.0 -51,-2.2 -2,-0.4 2,-0.6 -0.994 16.2-164.1-108.7 126.4 3.1 23.5 24.8 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-2.2 -2,-0.5 -53,-0.2 -0.952 70.1 -30.3-118.2 108.3 6.7 22.2 24.3 67 67 A A T 3 S- 0 0 38 -55,-2.7 -1,-0.2 -2,-0.6 -54,-0.1 0.898 129.1 -44.7 47.8 43.7 7.2 18.4 24.6 68 68 A G T 3 S+ 0 0 53 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.411 119.2 108.8 87.1 -3.1 4.3 18.4 27.1 69 69 A H E < - J 0 66B 72 -3,-2.2 -3,-3.1 1,-0.0 -1,-0.2 -0.916 64.3-129.3-109.5 128.6 5.3 21.5 29.1 70 70 A K E + J 0 65B 155 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.321 26.9 175.0 -75.9 148.7 3.4 24.8 28.9 71 71 A A E - 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