==== 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 1KJF . 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) . 9573.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 38.0 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 . 13 6.2 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 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 . 3 1 5 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 0 1 1 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 93 0, 0.0 198,-1.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 169.9 11.9 15.3 29.2 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.981 360.0-161.3-121.1 120.8 8.3 15.2 28.1 3 3 A I E -A 197 0A 33 194,-3.1 194,-2.2 -2,-0.5 2,-0.1 -0.888 5.6-149.6-106.6 122.7 7.7 14.2 24.5 4 4 A T E -A 196 0A 70 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.475 13.1-134.5 -83.5 161.5 4.3 15.0 22.9 5 5 A L S S+ 0 0 3 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.178 72.4 110.3-106.3 20.4 3.0 12.8 20.1 6 6 A W S S+ 0 0 189 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.841 93.3 20.8 -59.2 -33.7 1.9 15.3 17.5 7 7 A K S S- 0 0 170 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.812 113.0 -66.6-128.2 168.2 4.8 14.1 15.4 8 8 A R - 0 0 96 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.344 53.6-115.4 -57.8 132.4 6.8 10.9 15.5 9 9 A P + 0 0 3 0, 0.0 15,-3.0 0, 0.0 2,-0.4 -0.469 51.0 169.1 -73.7 77.5 8.8 10.6 18.7 10 10 A L E +D 23 0B 81 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.730 4.9 170.7 -93.9 137.7 12.3 10.8 17.2 11 11 A V E -D 22 0B 11 11,-2.4 11,-2.8 -2,-0.4 2,-0.4 -0.929 36.1 -99.5-141.2 164.9 15.4 11.3 19.3 12 12 A T E -D 21 0B 70 -2,-0.3 55,-2.1 9,-0.2 2,-0.3 -0.738 39.8-175.4 -90.0 130.5 19.2 11.2 18.8 13 13 A I E -DE 20 66B 1 7,-3.5 7,-2.6 -2,-0.4 2,-0.5 -0.848 17.5-140.4-122.3 160.9 20.9 8.1 20.0 14 14 A R E +DE 19 65B 119 51,-1.9 51,-2.2 -2,-0.3 2,-0.4 -0.982 28.1 160.4-125.6 122.5 24.6 7.1 20.2 15 15 A I E > -DE 18 64B 2 3,-2.8 3,-1.8 -2,-0.5 49,-0.1 -0.982 66.9 -11.3-145.7 131.5 25.8 3.6 19.2 16 16 A G T 3 S- 0 0 65 47,-0.6 3,-0.1 -2,-0.4 48,-0.1 0.818 130.2 -50.7 52.4 34.1 29.2 2.3 18.3 17 17 A G T 3 S+ 0 0 53 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.631 117.0 113.3 81.1 13.2 30.5 5.8 18.0 18 18 A Q E < -D 15 0B 92 -3,-1.8 -3,-2.8 2,-0.0 2,-0.5 -0.935 57.3-142.6-122.3 144.3 27.6 6.9 15.7 19 19 A L E +D 14 0B 120 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.873 30.9 165.5-102.6 133.2 24.8 9.4 16.3 20 20 A K E -D 13 0B 55 -7,-2.6 -7,-3.5 -2,-0.5 2,-0.5 -0.956 38.2-114.7-144.5 162.1 21.4 8.5 14.8 21 21 A E E +D 12 0B 120 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.872 39.1 179.1 -98.4 129.5 17.8 9.4 14.9 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.4 -2,-0.5 2,-0.5 -0.971 28.8-117.3-133.7 148.5 15.6 6.7 16.3 23 23 A L E -Df 10 84B 5 60,-3.0 62,-2.7 -2,-0.3 2,-0.9 -0.720 22.7-130.6 -86.6 126.4 11.8 6.4 17.0 24 24 A L E - f 0 85B 0 -15,-3.0 2,-0.6 -2,-0.5 62,-0.1 -0.698 35.3-173.9 -75.9 108.8 10.8 5.8 20.6 25 25 A N > + 0 0 0 60,-2.6 3,-1.8 -2,-0.9 62,-0.3 -0.849 27.5 178.0-117.5 96.6 8.5 2.9 20.0 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.568 85.6 67.4 -68.7 -7.1 6.5 1.6 23.0 27 27 A G T 3 S+ 0 0 0 81,-0.1 178,-2.6 96,-0.1 2,-0.4 0.317 87.3 77.5 -95.2 6.4 5.0 -0.8 20.4 28 28 A A B < -L 204 0C 0 -3,-1.8 59,-2.6 176,-0.3 176,-0.3 -0.970 61.3-158.6-119.2 131.1 8.3 -2.7 19.9 29 29 A D S S+ 0 0 33 174,-2.8 59,-1.3 -2,-0.4 2,-0.2 0.821 81.1 30.7 -72.9 -31.8 9.6 -5.3 22.3 30 30 A D S S- 0 0 50 173,-0.3 2,-0.5 57,-0.2 57,-0.2 -0.696 85.7-104.0-122.6 173.8 13.2 -4.9 21.0 31 31 A T - 0 0 2 43,-0.5 45,-2.9 -2,-0.2 2,-0.5 -0.872 34.4-173.7-101.8 127.4 15.4 -2.3 19.5 32 32 A V E -gH 76 84B 1 52,-1.9 52,-3.2 -2,-0.5 2,-0.3 -0.982 1.2-169.8-127.5 121.2 16.0 -2.6 15.8 33 33 A L E -g 77 0B 2 43,-2.8 45,-1.9 -2,-0.5 47,-0.2 -0.799 31.1-100.9-109.1 150.9 18.4 -0.4 13.9 34 34 A E E -g 78 0B 104 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.361 68.8 -56.6 -67.8 151.7 18.8 -0.1 10.1 35 35 A E S S+ 0 0 96 43,-0.6 2,-0.3 45,-0.1 -1,-0.2 0.132 75.2 149.6 -31.4 123.4 21.7 -2.0 8.6 36 36 A M - 0 0 13 -3,-0.2 2,-0.7 2,-0.0 -3,-0.1 -0.961 49.2-106.7-159.5 145.7 25.0 -1.1 10.1 37 37 A N + 0 0 149 -2,-0.3 -2,-0.0 40,-0.0 0, 0.0 -0.696 40.0 174.1 -84.2 116.2 28.2 -2.9 10.7 38 38 A L - 0 0 19 -2,-0.7 -2,-0.0 2,-0.1 39,-0.0 -0.973 27.4-126.4-121.0 134.2 28.7 -3.8 14.4 39 39 A P + 0 0 115 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.344 65.0 61.7 -74.8 162.9 31.6 -5.9 15.6 40 40 A G S S- 0 0 59 19,-0.1 2,-0.1 2,-0.0 -2,-0.1 -0.310 87.9 -56.0 110.5 165.1 31.0 -9.0 17.7 41 41 A K - 0 0 92 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.446 53.4-176.4 -78.1 154.4 29.1 -12.3 17.4 42 42 A W - 0 0 119 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.944 18.7-133.8-146.4 165.2 25.5 -12.3 16.6 43 43 A K E -I 58 0B 45 15,-1.2 15,-2.2 -2,-0.3 2,-0.1 -0.962 29.7-107.6-125.3 142.1 22.6 -14.8 16.2 44 44 A P E +I 57 0B 90 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.396 45.7 173.7 -66.3 143.3 20.1 -15.1 13.3 45 45 A K E -I 56 0B 82 11,-1.9 11,-3.2 -2,-0.1 2,-0.4 -0.998 27.7-145.6-154.6 149.6 16.6 -13.9 14.3 46 46 A M E -I 55 0B 113 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.952 19.5-179.9-114.7 132.0 13.1 -13.3 12.8 47 47 A I E -I 54 0B 5 7,-2.1 7,-2.4 -2,-0.4 2,-0.3 -0.973 9.5-159.6-129.6 148.2 10.9 -10.5 14.1 48 48 A G E +Ij 53 202B 0 153,-1.0 156,-2.4 -2,-0.4 155,-1.4 -0.835 21.8 145.7-129.7 167.4 7.5 -9.6 12.9 49 49 A G E > -I 52 0B 6 3,-2.5 3,-1.0 -2,-0.3 2,-0.2 -0.728 63.3 -14.8-160.5-147.7 5.0 -6.9 12.8 50 50 A I T 3 S+ 0 0 0 156,-0.4 101,-2.0 154,-0.4 99,-0.2 -0.511 130.8 20.0 -71.1 133.4 2.3 -5.5 10.4 51 51 A G T 3 S- 0 0 34 128,-0.4 2,-0.3 -2,-0.2 -1,-0.2 0.050 123.2 -78.6 95.8 -26.8 2.9 -7.0 7.0 52 52 A G E < -I 49 0B 24 -3,-1.0 -3,-2.5 100,-0.2 2,-0.3 -0.974 64.4 -33.2 139.5-152.4 5.0 -9.9 8.1 53 53 A F E -I 48 0B 104 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.831 34.4-164.1-117.9 153.5 8.5 -10.8 9.2 54 54 A I E -I 47 0B 24 -7,-2.4 -7,-2.1 -2,-0.3 2,-0.4 -0.938 25.0-118.2-130.2 154.1 12.1 -9.7 8.5 55 55 A K E +I 46 0B 125 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.768 39.3 171.9 -94.2 135.1 15.4 -11.4 9.2 56 56 A V E -I 45 0B 3 -11,-3.2 -11,-1.9 -2,-0.4 2,-0.5 -0.865 32.1-115.1-137.0 170.9 17.8 -9.6 11.5 57 57 A R E -IK 44 77B 45 20,-2.8 20,-2.5 -2,-0.3 2,-0.6 -0.931 27.2-141.8-112.0 131.9 21.1 -10.0 13.4 58 58 A Q E -IK 43 76B 43 -15,-2.2 -15,-1.2 -2,-0.5 2,-0.4 -0.849 17.3-176.5-100.9 122.8 21.1 -10.0 17.1 59 59 A Y E - K 0 75B 11 16,-2.7 16,-2.5 -2,-0.6 2,-0.3 -0.910 13.8-146.3-113.9 142.3 23.9 -8.4 19.1 60 60 A D E + 0 0 91 -19,-0.4 14,-0.2 -2,-0.4 -19,-0.1 -0.777 67.1 12.3-111.7 153.9 24.1 -8.5 22.9 61 61 A Q E S+ 0 0 136 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.873 75.0 165.3 53.7 46.3 25.3 -6.1 25.6 62 62 A I E - K 0 73B 26 11,-2.6 11,-1.8 -3,-0.3 2,-0.3 -0.811 36.0-127.7 -95.2 124.6 25.7 -3.1 23.2 63 63 A P E + K 0 72B 88 0, 0.0 -47,-0.6 0, 0.0 2,-0.4 -0.543 33.7 177.8 -72.3 133.3 26.1 0.3 24.9 64 64 A V E -EK 15 71B 8 7,-3.3 7,-2.0 -2,-0.3 2,-0.6 -1.000 20.8-150.8-139.3 137.7 23.6 2.8 23.6 65 65 A E E -EK 14 70B 83 -51,-2.2 -51,-1.9 -2,-0.4 2,-0.7 -0.932 9.2-167.1-112.0 115.6 23.0 6.4 24.7 66 66 A I E > S-EK 13 69B 0 3,-2.7 3,-2.4 -2,-0.6 -53,-0.2 -0.884 74.8 -32.5-104.3 109.1 19.4 7.7 24.3 67 67 A C T 3 S- 0 0 57 -55,-2.1 -1,-0.2 -2,-0.7 -54,-0.1 0.930 126.6 -43.4 46.0 57.3 19.3 11.5 24.6 68 68 A G T 3 S+ 0 0 57 1,-0.2 2,-0.5 -56,-0.2 -1,-0.3 0.259 114.8 119.0 77.3 -14.8 22.1 11.6 27.1 69 69 A H E < - 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