==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-DEC-01 1KJG . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.A.SCHIFFER . 207 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9267.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 36.2 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 2.9 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 . 27 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 3 0 0 3 1 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 0 2 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 81 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 175.0 -2.6 6.7 34.8 2 2 A Q E -A 198 0A 134 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.940 360.0-161.2-109.8 124.4 1.2 6.1 34.5 3 3 A I E -A 197 0A 34 194,-3.1 194,-2.3 -2,-0.5 2,-0.1 -0.924 4.1-151.6-114.7 124.6 2.2 2.9 32.6 4 4 A T - 0 0 76 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.417 16.2-131.1 -83.0 165.2 5.5 1.2 32.8 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.115 73.7 107.1-111.3 25.2 6.9 -0.7 29.9 6 6 A W S S+ 0 0 181 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.758 92.8 29.8 -71.0 -22.4 8.1 -4.1 31.3 7 7 A K S S- 0 0 67 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.858 110.6 -77.0-128.5 163.8 5.1 -5.6 29.6 8 8 A R - 0 0 77 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.404 49.4-116.9 -61.4 134.9 3.2 -4.6 26.4 9 9 A P + 0 0 5 0, 0.0 15,-2.7 0, 0.0 2,-0.3 -0.492 50.3 166.3 -77.5 78.3 1.0 -1.5 27.2 10 10 A L E +D 23 0B 67 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.731 7.6 174.3 -95.4 141.8 -2.4 -3.1 26.4 11 11 A V E -D 22 0B 14 11,-2.5 11,-2.9 -2,-0.3 2,-0.4 -0.914 33.8-101.9-139.7 165.4 -5.6 -1.4 27.5 12 12 A T E -D 21 0B 83 -2,-0.3 55,-2.0 9,-0.2 2,-0.3 -0.728 37.3-173.6 -91.5 139.7 -9.3 -2.1 27.0 13 13 A I E -DE 20 66B 2 7,-3.1 7,-2.8 -2,-0.4 2,-0.5 -0.935 15.8-144.7-130.1 154.7 -11.1 0.0 24.4 14 14 A R E +DE 19 65B 109 51,-1.9 51,-2.5 -2,-0.3 2,-0.3 -0.986 28.0 160.9-121.1 128.8 -14.8 0.2 23.6 15 15 A I E > +DE 18 64B 1 3,-2.7 3,-2.5 -2,-0.5 49,-0.1 -0.987 65.2 0.4-150.3 137.5 -15.8 0.8 20.0 16 16 A G T 3 S- 0 0 57 47,-0.5 3,-0.1 -2,-0.3 48,-0.1 0.833 131.7 -57.2 53.7 31.8 -19.0 0.2 18.1 17 17 A G T 3 S+ 0 0 67 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.534 117.4 111.4 77.9 7.8 -20.5 -1.0 21.4 18 18 A Q E < -D 15 0B 118 -3,-2.5 -3,-2.7 2,-0.0 2,-0.4 -0.807 61.9-130.8-115.9 155.2 -17.8 -3.7 21.7 19 19 A L E +D 14 0B 121 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.849 32.7 163.9-104.9 138.3 -14.9 -4.2 24.1 20 20 A K E -D 13 0B 64 -7,-2.8 -7,-3.1 -2,-0.4 2,-0.4 -0.953 35.9-115.4-147.3 166.2 -11.4 -5.0 22.8 21 21 A E E +D 12 0B 124 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.890 37.8 179.1-106.1 133.3 -7.8 -5.1 23.9 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-2.5 -2,-0.4 2,-0.5 -0.967 27.6-120.1-139.3 155.1 -5.3 -2.7 22.2 23 23 A L E -Df 10 84B 1 60,-3.0 62,-2.8 -2,-0.3 2,-0.8 -0.817 21.8-133.1 -97.4 122.6 -1.7 -1.7 22.2 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.1 -0.647 34.5-172.3 -73.4 111.3 -0.8 1.9 23.0 25 25 A N > + 0 0 0 60,-2.5 3,-1.3 -2,-0.8 62,-0.3 -0.864 28.9 177.7-120.8 100.9 1.8 2.4 20.2 26 26 A T T 3 S+ 0 0 1 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.621 84.6 66.2 -71.7 -11.3 3.9 5.6 20.0 27 27 A G T 3 S+ 0 0 2 81,-0.1 177,-2.9 96,-0.1 2,-0.4 0.186 89.2 77.9 -95.4 15.9 5.5 4.1 16.9 28 28 A A B < -L 203 0C 0 -3,-1.3 59,-2.8 175,-0.3 175,-0.2 -0.992 60.0-159.7-128.0 129.0 2.4 4.2 14.8 29 29 A D S S+ 0 0 23 173,-1.7 59,-1.4 -2,-0.4 2,-0.2 0.891 80.4 34.4 -70.8 -38.3 1.0 7.3 13.1 30 30 A D S S- 0 0 40 172,-0.2 2,-0.5 57,-0.2 57,-0.2 -0.639 83.0-108.0-116.9 172.1 -2.5 5.8 12.9 31 31 A T - 0 0 1 43,-0.5 45,-2.8 -2,-0.2 2,-0.4 -0.862 33.7-176.6-101.2 126.6 -4.8 3.4 14.7 32 32 A V E -gH 76 84B 0 52,-1.3 52,-3.1 -2,-0.5 2,-0.3 -0.989 1.9-171.1-129.8 123.9 -5.3 -0.0 13.1 33 33 A L E -g 77 0B 2 43,-3.3 45,-2.4 -2,-0.4 47,-0.3 -0.766 33.2 -92.6-112.3 157.9 -7.7 -2.6 14.4 34 34 A E E -g 78 0B 79 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.268 66.9 -69.4 -63.3 153.1 -8.2 -6.3 13.5 35 35 A E S S+ 0 0 143 43,-0.6 2,-0.3 45,-0.1 -1,-0.2 -0.211 77.5 140.7 -49.8 125.3 -10.8 -7.0 10.9 36 36 A M - 0 0 30 -3,-0.1 2,-0.4 2,-0.0 -3,-0.1 -0.954 53.9 -90.3-158.9 165.4 -14.3 -6.2 12.3 37 37 A N + 0 0 149 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.704 41.6 178.8 -90.6 138.8 -17.5 -4.6 11.2 38 38 A L - 0 0 13 -2,-0.4 39,-0.0 2,-0.2 -2,-0.0 -1.000 30.5-108.3-138.3 138.9 -18.0 -0.9 11.7 39 39 A P S S+ 0 0 102 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.248 77.1 33.3 -63.4 151.3 -21.0 1.3 10.7 40 40 A G S S- 0 0 65 19,-0.1 2,-0.3 2,-0.0 -2,-0.2 -0.274 95.7 -46.7 98.5 175.9 -20.5 3.8 7.9 41 41 A K - 0 0 97 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.622 51.1-159.2 -87.2 145.8 -18.7 4.0 4.6 42 42 A W - 0 0 106 -2,-0.3 17,-0.2 17,-0.1 -2,-0.0 -0.949 6.7-144.1-127.3 148.1 -15.0 3.0 4.4 43 43 A K E -I 58 0B 49 15,-1.7 15,-2.4 -2,-0.3 2,-0.1 -0.909 26.7-111.8-112.7 137.6 -12.3 3.8 1.8 44 44 A P E +I 57 0B 106 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.433 46.8 164.4 -67.0 137.8 -9.6 1.4 0.8 45 45 A K E -I 56 0B 28 11,-2.7 11,-3.0 -2,-0.1 2,-0.4 -0.910 28.6-135.7-145.2 170.1 -6.1 2.4 2.0 46 46 A M E -I 55 0B 120 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.999 17.6-175.3-134.3 135.4 -2.7 0.9 2.4 47 47 A I E -I 54 0B 5 7,-1.8 7,-2.4 -2,-0.4 2,-0.3 -0.935 11.2-146.0-127.9 153.8 -0.3 1.3 5.3 48 48 A G E +Ij 53 202B 0 153,-1.9 155,-2.9 -2,-0.3 5,-0.2 -0.777 23.7 148.2-121.0 165.0 3.2 0.1 5.8 49 49 A G E > -I 52 0B 9 3,-1.9 3,-1.6 101,-0.3 155,-0.2 -0.821 62.7 -38.7-163.9-159.6 5.4 -1.2 8.5 50 50 A I T 3 S+ 0 0 9 153,-0.5 101,-0.1 155,-0.4 3,-0.1 0.830 131.4 36.8 -49.3 -46.4 8.3 -3.6 9.2 51 51 A G T 3 S- 0 0 23 99,-1.5 -1,-0.3 1,-0.3 2,-0.2 0.032 122.5 -87.8-101.6 29.7 7.3 -6.4 6.9 52 52 A G E < -I 49 0B 30 -3,-1.6 -3,-1.9 100,-0.1 -1,-0.3 -0.682 63.5 -38.2 106.3-159.9 5.9 -4.4 4.1 53 53 A F E -I 48 0B 126 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.695 43.0-165.8-108.2 159.1 2.4 -2.9 3.3 54 54 A I E -I 47 0B 22 -7,-2.4 -7,-1.8 -2,-0.2 2,-0.5 -0.920 25.8-110.6-136.8 162.1 -1.1 -4.2 3.9 55 55 A K E +I 46 0B 159 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.828 40.8 176.7 -97.4 130.7 -4.5 -3.2 2.6 56 56 A V E -I 45 0B 7 -11,-3.0 -11,-2.7 -2,-0.5 2,-0.5 -0.851 30.6-118.4-130.9 166.9 -6.9 -1.7 5.1 57 57 A R E -IK 44 77B 100 20,-3.3 20,-3.0 -2,-0.3 2,-0.6 -0.900 28.3-144.7-103.3 131.4 -10.4 -0.1 5.4 58 58 A Q E -IK 43 76B 66 -15,-2.4 -15,-1.7 -2,-0.5 2,-0.4 -0.871 16.7-177.4-104.8 123.0 -10.5 3.5 6.5 59 59 A Y E - K 0 75B 6 16,-2.5 16,-2.7 -2,-0.6 3,-0.3 -0.949 15.1-147.3-114.0 135.3 -13.4 4.7 8.7 60 60 A D E + 0 0 92 -19,-0.4 14,-0.2 -2,-0.4 13,-0.1 -0.656 66.8 10.5-103.8 160.2 -13.5 8.4 9.8 61 61 A Q E S+ 0 0 159 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.876 77.0 166.0 40.9 57.6 -14.9 10.1 12.9 62 62 A I E - K 0 73B 21 11,-3.0 11,-1.9 -3,-0.3 2,-0.3 -0.876 35.7-126.7-102.8 125.4 -15.3 6.9 14.9 63 63 A P E + K 0 72B 76 0, 0.0 -47,-0.5 0, 0.0 2,-0.4 -0.543 32.0 179.8 -72.6 132.4 -15.8 7.3 18.7 64 64 A V E -EK 15 71B 3 7,-3.4 7,-1.6 -2,-0.3 2,-0.6 -0.992 19.5-150.6-137.2 128.2 -13.4 5.2 20.7 65 65 A E E -EK 14 70B 54 -51,-2.5 -51,-1.9 -2,-0.4 2,-0.6 -0.880 14.4-169.3-101.1 120.3 -13.2 5.0 24.5 66 66 A I E > S-EK 13 69B 0 3,-3.4 3,-2.4 -2,-0.6 -53,-0.2 -0.912 71.4 -30.4-114.0 107.7 -9.7 4.2 25.6 67 67 A C T 3 S- 0 0 61 -55,-2.0 -1,-0.2 -2,-0.6 -54,-0.1 0.888 126.7 -47.8 55.2 38.3 -9.3 3.3 29.3 68 68 A G T 3 S+ 0 0 51 1,-0.3 2,-0.4 -56,-0.2 -1,-0.3 0.219 116.4 115.9 89.0 -17.2 -12.3 5.5 30.0 69 69 A H E < - 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