==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-FEB-04 1SGU . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.C.CLEMENTE,R.E.MOOSE,R.HEMRAJANI,L.GOVINDASAMY,R.REUTZEL, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 64.6 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 . 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 . 23 11.6 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 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 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 88 0, 0.0 198,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 178.3 40.4 -8.4 12.6 2 2 A Q E -A 198 0A 124 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.883 360.0-162.5-109.9 141.9 39.4 -6.2 9.6 3 3 A I E -A 197 0A 42 194,-2.9 194,-2.7 -2,-0.4 2,-0.1 -0.981 5.1-152.5-129.7 121.1 36.1 -6.7 7.9 4 4 A T - 0 0 76 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.365 20.8-124.7 -81.2 171.8 35.3 -5.3 4.4 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.095 77.6 106.4-112.6 27.8 31.7 -4.5 3.5 6 6 A W S S+ 0 0 178 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.747 92.1 31.3 -73.5 -21.8 31.0 -6.5 0.3 7 7 A Q S S- 0 0 161 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.880 110.6 -74.2-129.6 162.1 29.0 -8.9 2.5 8 8 A R - 0 0 140 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.320 49.4-116.1 -56.6 135.7 26.9 -8.3 5.6 9 9 A P + 0 0 1 0, 0.0 15,-3.0 0, 0.0 2,-0.2 -0.441 49.8 174.9 -75.7 70.3 29.2 -7.9 8.6 10 10 A L E -D 23 0B 60 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.569 11.2-179.9 -84.0 141.1 28.1 -11.0 10.5 11 11 A V E -D 22 0B 8 11,-2.3 11,-2.3 -2,-0.2 2,-0.3 -0.975 26.9-121.8-135.9 149.5 29.6 -12.2 13.7 12 12 A T E -D 21 0B 88 -2,-0.3 55,-2.3 9,-0.2 2,-0.3 -0.695 35.4-175.5 -90.2 141.2 28.8 -15.2 15.9 13 13 A I E -DE 20 66B 5 7,-3.2 7,-2.3 -2,-0.3 2,-0.4 -0.938 24.0-145.6-138.1 160.8 27.9 -14.5 19.4 14 14 A K E +DE 19 65B 95 51,-1.7 51,-3.1 -2,-0.3 2,-0.3 -0.999 27.2 165.8-125.2 125.7 27.0 -16.4 22.6 15 15 A I E > -DE 18 64B 2 3,-2.6 3,-2.1 -2,-0.4 49,-0.1 -0.969 68.6 -7.7-146.4 125.7 24.5 -14.7 24.9 16 16 A G T 3 S- 0 0 51 47,-0.6 21,-0.1 -2,-0.3 3,-0.1 0.861 128.1 -58.8 57.7 34.5 22.7 -16.3 27.8 17 17 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.474 115.5 116.0 74.9 1.5 24.2 -19.6 26.8 18 18 A Q E < -D 15 0B 40 -3,-2.1 -3,-2.6 19,-0.1 2,-0.4 -0.791 60.2-134.9-105.2 147.0 22.5 -19.4 23.4 19 19 A L E +D 14 0B 116 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.857 34.4 156.1-103.3 134.0 24.4 -19.1 20.1 20 20 A R E -D 13 0B 85 -7,-2.3 -7,-3.2 -2,-0.4 2,-0.4 -0.936 37.5-123.7-148.2 166.8 23.3 -16.6 17.5 21 21 A E E +D 12 0B 107 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.896 33.0 177.5-110.3 142.4 24.5 -14.6 14.5 22 22 A A E -D 11 0B 1 -11,-2.3 -11,-2.3 -2,-0.4 2,-0.4 -0.961 28.9-110.8-144.9 161.3 24.2 -10.8 14.5 23 23 A L E -Df 10 84B 13 60,-2.4 62,-2.9 -2,-0.3 2,-1.1 -0.822 23.3-127.9 -97.4 131.9 25.2 -7.9 12.3 24 24 A L E - f 0 85B 1 -15,-3.0 2,-0.7 -2,-0.4 62,-0.1 -0.681 40.6-172.6 -73.1 105.7 27.9 -5.4 13.4 25 25 A D > + 0 0 17 60,-2.4 3,-1.6 -2,-1.1 62,-0.3 -0.832 27.7 179.9-117.4 99.2 25.7 -2.4 12.8 26 26 A T T 3 S+ 0 0 1 -2,-0.7 -1,-0.1 1,-0.3 98,-0.1 0.661 84.7 62.6 -66.4 -16.6 27.3 1.1 13.1 27 27 A G T 3 S+ 0 0 17 96,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.521 89.3 83.8 -87.0 -4.6 23.9 2.6 12.3 28 28 A A < - 0 0 19 -3,-1.6 59,-2.6 57,-0.2 60,-0.2 -0.866 57.0-165.5-104.0 127.7 22.3 1.2 15.4 29 29 A D S S+ 0 0 51 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.841 78.3 37.1 -75.0 -34.0 22.6 3.0 18.7 30 30 A D S S- 0 0 55 57,-0.1 2,-0.4 56,-0.1 57,-0.1 -0.657 81.0-114.3-116.6 173.0 21.4 -0.2 20.6 31 31 A T - 0 0 0 43,-0.4 45,-2.7 -2,-0.2 2,-0.4 -0.899 34.4-179.3-107.7 131.4 21.7 -4.0 20.4 32 32 A I E -gH 76 84B 8 52,-1.8 52,-2.7 -2,-0.4 2,-0.4 -0.997 10.1-171.8-139.7 139.2 18.6 -6.1 19.6 33 33 A F E -g 77 0B 0 43,-2.7 45,-2.0 -2,-0.4 2,-0.4 -0.951 16.5-140.0-126.4 145.8 17.8 -9.7 19.3 34 34 A E S S- 0 0 65 -2,-0.4 49,-0.1 1,-0.2 43,-0.0 -0.793 79.3 -1.5 -99.8 149.0 14.8 -11.6 18.1 35 35 A E S S+ 0 0 131 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.823 86.5 126.6 32.5 76.7 13.8 -14.7 20.0 36 36 A I - 0 0 11 -3,-0.2 2,-0.6 2,-0.0 -1,-0.1 -0.946 53.7-124.0-143.4 151.4 16.4 -15.4 22.7 37 37 A S + 0 0 91 -2,-0.3 -19,-0.1 -21,-0.1 0, 0.0 -0.896 27.3 179.5-109.3 125.6 15.7 -15.9 26.4 38 38 A L - 0 0 16 -2,-0.6 2,-0.1 2,-0.1 -2,-0.0 -0.911 22.8-123.9-119.6 148.7 17.3 -13.7 29.0 39 39 A P + 0 0 101 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.482 60.6 24.0 -91.1 162.3 16.7 -13.9 32.8 40 40 A G S S- 0 0 58 -2,-0.1 -2,-0.1 19,-0.1 2,-0.0 -0.196 92.0 -29.6 88.6-177.3 15.5 -11.3 35.2 41 41 A R - 0 0 236 -2,-0.0 19,-0.3 19,-0.0 2,-0.3 -0.234 55.2-178.3 -74.5 164.8 13.5 -8.1 35.2 42 42 A W - 0 0 100 17,-0.1 17,-0.2 -2,-0.0 -2,-0.0 -0.967 23.0-120.0-157.4 167.0 13.3 -5.8 32.2 43 43 A K E -I 58 0B 85 15,-1.7 15,-1.9 -2,-0.3 13,-0.1 -0.948 29.9-114.9-119.2 133.1 11.8 -2.5 31.2 44 44 A P E +I 57 0B 86 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.303 43.3 173.6 -60.8 150.7 9.4 -2.0 28.3 45 45 A K E -I 56 0B 59 11,-2.0 11,-4.1 2,-0.0 2,-0.5 -0.971 28.1-145.5-161.5 145.3 10.8 0.1 25.5 46 46 A M E -I 55 0B 114 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.969 18.0-169.2-118.5 121.9 10.0 1.3 22.0 47 47 A I E -I 54 0B 23 7,-2.0 7,-2.1 -2,-0.5 2,-0.4 -0.847 11.7-141.0-109.2 145.5 12.8 1.8 19.5 48 48 A G E +I 53 0B 68 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.824 30.3 150.0-107.3 146.5 12.4 3.5 16.1 49 49 A G E > -I 52 0B 20 3,-2.3 3,-1.4 -2,-0.4 2,-0.2 -0.778 57.8 -45.3-150.1-167.2 14.1 2.4 12.9 50 50 A I T 3 S+ 0 0 35 -2,-0.2 101,-1.9 1,-0.2 102,-0.6 -0.536 127.0 22.9 -69.9 134.6 13.4 2.5 9.2 51 51 A G T 3 S- 0 0 27 128,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.316 125.4 -62.6 94.4 -12.0 9.7 1.5 8.7 52 52 A G E < -I 49 0B 32 -3,-1.4 -3,-2.3 100,-0.2 2,-0.3 -0.913 67.4 -45.9 137.3-163.1 8.4 2.3 12.1 53 53 A F E -I 48 0B 147 -2,-0.3 2,-0.4 98,-0.3 -5,-0.2 -0.791 35.4-158.7-115.5 156.6 8.7 1.5 15.8 54 54 A V E -I 47 0B 18 -7,-2.1 -7,-2.0 -2,-0.3 2,-0.5 -0.995 18.4-128.4-136.9 140.7 8.8 -1.8 17.7 55 55 A K E +I 46 0B 130 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.759 40.5 169.8 -88.1 125.6 8.0 -2.5 21.4 56 56 A V E -I 45 0B 6 -11,-4.1 -11,-2.0 -2,-0.5 2,-0.4 -0.824 36.2-111.2-132.6 171.1 10.8 -4.4 23.0 57 57 A R E -IJ 44 77B 113 20,-2.8 20,-2.2 -2,-0.3 2,-0.6 -0.868 29.0-143.9-101.5 136.6 12.1 -5.6 26.4 58 58 A Q E -IJ 43 76B 36 -15,-1.9 -15,-1.7 -2,-0.4 2,-0.5 -0.905 15.7-173.3-107.9 119.1 15.2 -3.9 27.8 59 59 A Y E - J 0 75B 9 16,-2.6 16,-2.8 -2,-0.6 3,-0.4 -0.937 11.0-152.8-109.5 125.6 17.6 -6.1 29.7 60 60 A D E + 0 0 71 -2,-0.5 14,-0.2 -19,-0.3 13,-0.1 -0.608 67.1 16.3 -97.5 161.0 20.5 -4.4 31.4 61 61 A Q E S+ 0 0 155 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.837 77.3 167.3 48.9 47.4 24.0 -5.7 32.3 62 62 A I E - J 0 73B 15 11,-2.8 11,-2.1 -3,-0.4 2,-0.2 -0.772 34.0-129.8 -94.3 124.1 23.8 -8.8 30.0 63 63 A P E + J 0 72B 89 0, 0.0 -47,-0.6 0, 0.0 2,-0.4 -0.517 33.9 175.7 -70.6 136.7 27.0 -10.7 29.4 64 64 A I E -EJ 15 71B 2 7,-3.2 7,-2.5 -2,-0.2 2,-0.7 -0.992 25.9-144.5-147.6 134.7 27.6 -11.3 25.7 65 65 A E E -EJ 14 70B 72 -51,-3.1 -51,-1.7 -2,-0.4 2,-0.6 -0.897 17.5-168.2-102.2 115.6 30.4 -12.9 23.8 66 66 A I E > S-EJ 13 69B 0 3,-3.0 3,-3.0 -2,-0.7 -53,-0.2 -0.915 70.6 -34.0-109.7 113.7 31.0 -11.1 20.4 67 67 A C T 3 S- 0 0 60 -55,-2.3 -1,-0.2 -2,-0.6 -54,-0.1 0.862 129.1 -41.7 43.9 43.6 33.4 -13.0 18.1 68 68 A G T 3 S+ 0 0 60 -56,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.145 114.1 116.7 95.7 -21.1 35.3 -14.2 21.1 69 69 A H E < - J 0 66B 74 -3,-3.0 -3,-3.0 1,-0.0 2,-0.6 -0.726 56.3-144.3 -88.6 124.9 35.3 -10.9 23.1 70 70 A K E + J 0 65B 158 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.773 35.7 148.4 -90.8 118.6 33.5 -11.1 26.4 71 71 A V E - J 0 64B 26 -7,-2.5 -7,-3.2 -2,-0.6 2,-0.4 -0.846 34.5-133.1-138.3 175.2 31.6 -7.9 27.3 72 72 A I E + J 0 63B 90 -2,-0.3 2,-0.3 -9,-0.3 -11,-0.1 -0.998 37.6 122.0-137.8 137.5 28.5 -6.7 29.1 73 73 A G E - J 0 62B 13 -11,-2.1 -11,-2.8 -2,-0.4 2,-0.3 -0.961 57.6 -51.3-170.1-173.9 25.8 -4.3 28.2 74 74 A T E - 0 0 42 -2,-0.3 -43,-0.4 -13,-0.2 2,-0.4 -0.608 48.3-172.2 -79.1 133.4 22.2 -3.5 27.6 75 75 A V E - J 0 59B 0 -16,-2.8 -16,-2.6 -2,-0.3 2,-0.4 -0.996 11.4-148.4-131.9 134.8 20.4 -5.8 25.2 76 76 A L E -gJ 32 58B 1 -45,-2.7 -43,-2.7 -2,-0.4 2,-0.5 -0.798 6.4-161.7-101.7 144.0 16.9 -5.5 23.7 77 77 A V E +gJ 33 57B 21 -20,-2.2 -20,-2.8 -2,-0.4 -43,-0.2 -0.991 40.6 99.4-126.2 123.7 14.7 -8.4 22.9 78 78 A G S S- 0 0 13 -45,-2.0 -22,-0.2 -2,-0.5 -2,-0.0 -0.963 74.5 -36.5 178.3 176.8 11.8 -7.9 20.5 79 79 A P + 0 0 77 0, 0.0 -45,-0.1 0, 0.0 3,-0.0 -0.287 64.9 145.0 -57.9 128.8 10.7 -8.3 16.9 80 80 A T - 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