==== 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 1KJH . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.A.SCHIFFER . 208 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 35.6 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 . 25 12.0 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 . 1 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 . 4 4 1 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 1 1 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 98 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 178.6 12.2 15.4 28.6 2 2 A Q E -A 198 0A 125 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.986 360.0-158.0-120.4 120.7 8.6 15.0 27.6 3 3 A I E -A 197 0A 33 194,-3.7 194,-2.5 -2,-0.5 2,-0.1 -0.891 4.8-152.3-106.0 118.3 7.9 14.1 24.0 4 4 A T - 0 0 70 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.426 12.9-134.6 -80.6 163.0 4.5 14.9 22.5 5 5 A L + 0 0 2 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.084 70.0 112.7-111.4 26.2 3.2 12.7 19.7 6 6 A W S S+ 0 0 197 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.801 92.1 22.8 -64.2 -26.5 1.8 15.2 17.2 7 7 A K S S- 0 0 160 -3,-0.3 -1,-0.0 3,-0.0 0, 0.0 -0.901 110.9 -69.3-136.6 160.8 4.6 14.0 14.9 8 8 A R - 0 0 74 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.293 52.0-119.7 -52.3 130.3 6.7 10.9 14.7 9 9 A P + 0 0 6 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.460 47.9 168.5 -76.6 74.8 9.0 10.7 17.8 10 10 A L E +D 23 0B 76 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.667 5.4 172.7 -90.1 140.4 12.4 10.7 16.0 11 11 A V E -D 22 0B 16 11,-2.8 11,-3.4 -2,-0.3 2,-0.4 -0.948 34.8-103.2-142.0 162.1 15.6 11.3 17.9 12 12 A T E -D 21 0B 67 -2,-0.3 55,-1.2 9,-0.2 2,-0.3 -0.723 36.3-169.8 -89.3 135.1 19.3 11.1 17.2 13 13 A I E -DE 20 66B 2 7,-3.1 7,-1.9 -2,-0.4 2,-0.4 -0.923 10.0-144.9-123.5 151.9 21.2 8.1 18.4 14 14 A R E +DE 19 65B 115 51,-2.4 51,-2.7 -2,-0.3 2,-0.4 -0.967 18.8 171.6-122.4 131.7 24.9 7.5 18.5 15 15 A I E > S-D 18 0B 14 3,-2.4 3,-2.5 -2,-0.4 2,-0.3 -0.944 71.0 -43.5-136.9 111.6 26.7 4.1 17.9 16 16 A G T 3 S- 0 0 59 -2,-0.4 48,-0.0 1,-0.3 0, 0.0 -0.514 123.9 -28.8 66.0-126.7 30.4 4.3 17.7 17 17 A G T 3 S+ 0 0 58 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.158 117.2 110.8-105.5 18.4 31.1 7.3 15.6 18 18 A Q E < -D 15 0B 110 -3,-2.5 -3,-2.4 2,-0.0 2,-0.4 -0.813 50.2-161.4-101.9 131.0 27.8 6.8 13.7 19 19 A L E +D 14 0B 118 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.859 17.8 166.4-105.9 141.1 24.8 9.2 14.0 20 20 A K E -D 13 0B 42 -7,-1.9 -7,-3.1 -2,-0.4 2,-0.5 -0.994 36.2-121.0-153.9 149.6 21.4 8.1 13.0 21 21 A E E +D 12 0B 100 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.818 39.3 179.8 -92.1 127.2 17.8 9.3 13.4 22 22 A A E -D 11 0B 0 -11,-3.4 -11,-2.8 -2,-0.5 2,-0.5 -0.956 26.9-119.8-132.4 152.0 15.6 6.6 15.1 23 23 A L E -Df 10 84B 3 60,-2.6 62,-2.8 -2,-0.3 2,-1.2 -0.773 20.3-130.6 -94.4 126.4 12.0 6.3 16.2 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.7 -2,-0.5 62,-0.1 -0.663 38.1-172.0 -75.2 100.2 11.2 5.9 19.9 25 25 A N > + 0 0 0 60,-2.2 3,-1.4 -2,-1.2 62,-0.3 -0.833 29.3 176.1-109.3 99.3 8.8 2.9 19.3 26 26 A T T 3 S+ 0 0 1 -2,-0.7 -1,-0.1 1,-0.3 98,-0.1 0.618 84.6 64.7 -72.5 -11.3 6.7 1.5 22.2 27 27 A G T 3 S+ 0 0 2 178,-0.1 180,-2.0 81,-0.1 2,-0.5 0.262 88.7 81.5 -94.6 12.4 5.1 -0.8 19.7 28 28 A A B < -l 207 0C 0 -3,-1.4 59,-2.9 178,-0.2 60,-0.2 -0.974 60.0-159.4-122.1 127.1 8.4 -2.7 19.0 29 29 A D S S+ 0 0 21 178,-2.4 59,-1.0 -2,-0.5 2,-0.2 0.868 80.1 28.1 -68.6 -35.9 9.8 -5.5 21.2 30 30 A D S S- 0 0 25 177,-0.2 2,-0.5 57,-0.2 57,-0.2 -0.715 81.4-106.9-124.3 173.8 13.3 -5.0 19.8 31 31 A T - 0 0 1 43,-0.4 45,-3.0 -2,-0.2 2,-0.4 -0.866 34.1-179.0-103.3 127.2 15.6 -2.4 18.3 32 32 A V E -gH 76 84B 0 52,-1.2 52,-3.3 -2,-0.5 2,-0.3 -0.992 5.2-164.9-130.9 133.7 16.3 -2.7 14.6 33 33 A L E -g 77 0B 1 43,-3.0 45,-1.6 -2,-0.4 2,-0.3 -0.893 23.9-111.1-120.2 151.1 18.5 -0.5 12.5 34 34 A E S S- 0 0 78 -2,-0.3 49,-0.0 1,-0.2 43,-0.0 -0.552 75.3 -38.4 -76.2 134.6 19.0 0.1 8.8 35 35 A E S S+ 0 0 150 43,-0.4 2,-0.2 -2,-0.3 -1,-0.2 0.641 79.5 137.4 8.5 113.9 22.3 -1.1 7.3 36 36 A M - 0 0 20 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.734 50.5-117.3-176.3 124.2 25.4 -0.6 9.5 37 37 A N - 0 0 148 -2,-0.2 0, 0.0 40,-0.0 0, 0.0 -0.495 32.8-174.2 -70.6 126.9 28.3 -2.8 10.3 38 38 A L - 0 0 21 -2,-0.3 2,-0.1 2,-0.1 -2,-0.0 -0.900 23.9-111.9-120.6 151.0 28.6 -3.8 13.9 39 39 A P S S+ 0 0 107 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.449 70.7 34.6 -81.2 155.4 31.4 -5.8 15.6 40 40 A G S S- 0 0 62 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.239 94.6 -38.5 98.6 173.4 31.1 -9.3 17.0 41 41 A K - 0 0 96 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.417 54.4-163.9 -73.4 149.1 29.2 -12.5 16.2 42 42 A W E -I 59 0B 120 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.992 8.1-147.9-137.6 145.7 25.6 -12.2 14.9 43 43 A K E -I 58 0B 49 15,-1.7 15,-2.9 -2,-0.3 2,-0.1 -0.893 26.3-110.4-114.4 142.4 22.8 -14.7 14.7 44 44 A P E +I 57 0B 108 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.404 42.5 177.1 -68.1 146.0 20.1 -14.8 12.0 45 45 A K E -I 56 0B 39 11,-2.3 11,-3.0 -2,-0.1 2,-0.5 -0.993 26.6-138.3-150.7 154.7 16.6 -13.9 13.2 46 46 A M E -I 55 0B 109 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.967 22.2-174.3-115.9 126.1 13.0 -13.4 11.9 47 47 A I E -I 54 0B 0 7,-2.1 7,-2.1 -2,-0.5 2,-0.4 -0.935 16.4-130.1-121.8 146.9 10.9 -10.5 13.2 48 48 A G E +IJ 53 208B 2 160,-2.1 160,-3.2 -2,-0.4 5,-0.2 -0.768 24.2 172.5-104.7 141.4 7.3 -9.8 12.4 49 49 A G - 0 0 8 3,-3.4 158,-0.2 -2,-0.4 102,-0.1 -0.460 53.9 -76.8-121.2-164.6 5.6 -6.6 11.3 50 50 A I S S+ 0 0 7 154,-0.5 101,-0.2 156,-0.4 3,-0.1 0.827 129.3 35.0 -69.1 -30.7 2.1 -5.7 10.2 51 51 A G S S- 0 0 31 99,-2.1 2,-0.3 1,-0.3 100,-0.2 0.543 126.0 -68.2-103.4 -7.1 2.6 -7.2 6.7 52 52 A G - 0 0 27 98,-0.8 -3,-3.4 100,-0.1 2,-0.3 -0.984 65.2 -48.3 152.9-159.8 4.8 -10.2 7.4 53 53 A F E -I 48 0B 121 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.797 36.0-163.8-113.1 154.0 8.3 -11.1 8.6 54 54 A I E -I 47 0B 27 -7,-2.1 -7,-2.1 -2,-0.3 2,-0.4 -0.913 24.4-115.8-129.3 157.1 11.8 -10.0 7.5 55 55 A K E +I 46 0B 66 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.780 39.2 171.4 -95.7 137.2 15.2 -11.6 8.2 56 56 A V E -I 45 0B 7 -11,-3.0 -11,-2.3 -2,-0.4 2,-0.5 -0.892 33.5-113.1-138.7 168.6 17.7 -9.6 10.3 57 57 A R E -IK 44 77B 70 20,-2.6 20,-2.3 -2,-0.3 2,-0.6 -0.903 27.8-143.3-105.9 132.9 21.0 -10.1 12.0 58 58 A Q E -IK 43 76B 47 -15,-2.9 -15,-1.7 -2,-0.5 2,-0.4 -0.871 18.4-178.1-101.8 120.3 21.1 -10.1 15.8 59 59 A Y E -IK 42 75B 6 16,-2.4 16,-2.9 -2,-0.6 3,-0.3 -0.946 14.0-148.0-115.5 137.2 24.0 -8.4 17.5 60 60 A D E + 0 0 83 -19,-0.5 14,-0.2 -2,-0.4 13,-0.1 -0.637 64.7 17.3-106.7 163.3 24.3 -8.4 21.3 61 61 A Q E S+ 0 0 133 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.858 73.5 165.6 47.8 50.1 25.7 -6.1 24.0 62 62 A I E - K 0 73B 11 11,-2.5 11,-1.8 -3,-0.3 2,-0.3 -0.824 35.2-129.9 -97.2 124.5 25.9 -3.0 21.7 63 63 A P E - K 0 72B 90 0, 0.0 2,-0.4 0, 0.0 9,-0.3 -0.579 31.8-179.0 -74.0 133.7 26.5 0.3 23.4 64 64 A V E - K 0 71B 7 7,-4.1 7,-1.9 -2,-0.3 2,-0.6 -0.992 20.0-148.9-138.6 129.6 23.9 2.9 22.2 65 65 A E E -EK 14 70B 85 -51,-2.7 -51,-2.4 -2,-0.4 2,-0.5 -0.869 14.6-174.8-101.5 122.8 23.5 6.6 23.2 66 66 A I E > S-EK 13 69B 0 3,-3.4 3,-1.8 -2,-0.6 -53,-0.2 -0.940 70.9 -32.3-119.9 107.5 20.0 7.9 23.1 67 67 A C T 3 S- 0 0 61 -55,-1.2 -1,-0.1 -2,-0.5 3,-0.1 0.876 126.7 -43.8 51.4 44.1 19.6 11.7 23.8 68 68 A G T 3 S+ 0 0 61 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.489 117.2 118.5 82.3 1.7 22.5 11.7 26.1 69 69 A H E < - K 0 66B 66 -3,-1.8 -3,-3.4 2,-0.0 2,-0.3 -0.903 59.5-136.2-107.2 127.7 21.4 8.5 27.8 70 70 A K E + K 0 65B 89 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.605 28.8 168.5 -83.8 137.8 23.6 5.4 27.7 71 71 A A E - K 0 64B 6 -7,-1.9 -7,-4.1 -2,-0.3 2,-0.4 -0.992 15.1-164.6-146.9 145.0 22.0 2.0 26.9 72 72 A I E + K 0 63B 74 -2,-0.3 2,-0.3 -9,-0.3 -11,-0.1 -0.996 35.7 94.5-135.7 129.7 23.5 -1.3 26.0 73 73 A G E - 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