==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/INHIBITOR 02-NOV-04 1WBM . COMPND 2 MOLECULE: POL PROTEIN (FRAGMENT); . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.LINDBERG,T.UNGE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.7 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 . 70 35.4 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 . 26 13.1 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 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 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 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 90 0, 0.0 198,-1.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 171.9 30.0 39.2 5.0 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.970 360.0-159.5-116.7 128.8 29.8 36.7 2.2 3 3 A I E -A 197 0A 33 194,-3.2 194,-2.5 -2,-0.5 2,-0.1 -0.939 3.0-153.0-116.5 119.9 28.8 33.1 3.1 4 4 A T - 0 0 64 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.442 15.7-133.0 -81.8 162.0 29.6 30.2 0.8 5 5 A L S S+ 0 0 2 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.098 73.7 109.3-108.3 24.1 27.4 27.1 0.9 6 6 A W S S+ 0 0 170 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.823 93.7 22.8 -64.9 -30.8 30.0 24.3 1.0 7 7 A Q S S- 0 0 131 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.824 111.2 -71.9-127.8 168.3 28.9 23.8 4.6 8 8 A R - 0 0 119 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.378 51.2-117.1 -60.6 136.7 25.6 24.7 6.4 9 9 A P + 0 0 4 0, 0.0 15,-2.5 0, 0.0 2,-0.3 -0.511 49.7 167.8 -80.1 78.3 25.4 28.4 6.9 10 10 A L E +D 23 0B 67 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.718 6.2 173.3 -94.6 140.6 25.4 28.5 10.7 11 11 A V E -D 22 0B 17 11,-2.6 11,-3.0 -2,-0.3 2,-0.4 -0.920 34.8-100.4-140.1 165.0 26.0 31.8 12.6 12 12 A T E -D 21 0B 89 -2,-0.3 55,-1.6 9,-0.2 2,-0.3 -0.733 38.8-173.7 -90.4 134.5 25.8 33.0 16.2 13 13 A I E -DE 20 66B 1 7,-3.0 7,-2.6 -2,-0.4 2,-0.5 -0.893 16.5-143.0-125.1 158.6 22.7 34.8 17.3 14 14 A K E +DE 19 65B 80 51,-2.1 51,-2.5 -2,-0.3 2,-0.3 -0.988 29.1 157.4-124.6 121.6 21.8 36.6 20.5 15 15 A I E > +D 18 0B 2 3,-2.6 3,-1.8 -2,-0.5 49,-0.1 -0.977 69.4 0.3-146.4 129.8 18.3 36.4 21.8 16 16 A G T 3 S- 0 0 58 47,-0.4 3,-0.1 -2,-0.3 -1,-0.1 0.899 127.7 -62.5 59.7 39.9 17.1 36.9 25.4 17 17 A G T 3 S+ 0 0 62 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.400 115.0 119.8 67.6 -6.2 20.7 37.6 26.4 18 18 A Q E < -D 15 0B 86 -3,-1.8 -3,-2.6 1,-0.0 2,-0.4 -0.688 59.0-138.7 -94.5 144.4 21.5 34.0 25.3 19 19 A L E +D 14 0B 120 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.850 32.0 163.1-101.4 135.8 24.0 33.1 22.6 20 20 A K E -D 13 0B 43 -7,-2.6 -7,-3.0 -2,-0.4 2,-0.4 -0.932 37.2-112.5-146.1 168.0 23.0 30.4 20.2 21 21 A E E +D 12 0B 121 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.893 38.9 177.9-106.1 133.7 23.9 28.9 16.8 22 22 A A E -D 11 0B 0 -11,-3.0 -11,-2.6 -2,-0.4 2,-0.4 -0.976 28.3-117.5-140.5 154.9 21.4 29.2 14.0 23 23 A L E -Df 10 84B 6 60,-2.9 62,-3.4 -2,-0.3 2,-1.0 -0.731 19.6-136.0 -91.2 128.7 20.9 28.3 10.3 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.4 62,-0.2 -0.769 35.1-175.1 -82.1 108.7 20.4 31.1 7.7 25 25 A D > + 0 0 15 60,-2.6 3,-1.8 -2,-1.0 62,-0.3 -0.839 28.0 179.8-119.8 99.1 17.6 29.4 5.8 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.653 87.4 61.5 -67.0 -14.8 16.2 31.1 2.6 27 27 A G T 3 S+ 0 0 19 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.462 87.7 86.7 -90.0 -2.3 13.8 28.1 2.3 28 28 A A < - 0 0 19 -3,-1.8 59,-3.0 57,-0.2 60,-0.2 -0.885 58.2-164.0-103.4 122.8 12.2 28.9 5.7 29 29 A D S S+ 0 0 51 -2,-0.5 59,-1.1 57,-0.2 2,-0.2 0.891 77.3 27.7 -68.5 -41.2 9.3 31.5 5.7 30 30 A D S S- 0 0 51 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.582 84.2-107.3-115.3 178.4 9.5 32.0 9.4 31 31 A T - 0 0 0 43,-0.4 45,-2.7 -2,-0.2 2,-0.4 -0.917 35.0-177.5-108.7 129.1 12.1 31.8 12.2 32 32 A V E -gH 76 84B 6 52,-1.5 52,-3.1 -2,-0.5 2,-0.3 -0.993 4.1-172.1-133.8 131.9 11.9 28.9 14.6 33 33 A L E -g 77 0B 0 43,-2.8 45,-2.2 -2,-0.4 47,-0.2 -0.890 32.9 -95.2-120.9 152.0 14.0 28.2 17.6 34 34 A E E S-g 78 0B 85 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.094 70.5 -56.4 -57.9 161.5 14.3 25.2 19.9 35 35 A E S S+ 0 0 121 43,-0.5 2,-0.3 45,-0.2 -1,-0.2 -0.130 79.7 138.5 -45.2 123.7 12.3 25.2 23.2 36 36 A M - 0 0 18 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.968 52.3 -92.1-160.4 168.6 13.1 28.2 25.3 37 37 A S + 0 0 102 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.780 40.3 172.6 -96.7 131.9 11.6 30.9 27.5 38 38 A L - 0 0 16 -2,-0.5 2,-0.1 2,-0.1 24,-0.0 -0.945 29.9-110.8-132.9 153.2 10.5 34.2 26.1 39 39 A P S S+ 0 0 98 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.419 71.8 31.1 -82.7 160.1 8.6 37.2 27.6 40 40 A G S S- 0 0 66 -2,-0.1 2,-0.2 19,-0.1 -2,-0.1 -0.271 95.0 -45.1 91.7-178.6 5.1 38.2 26.6 41 41 A R - 0 0 191 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.589 53.9-159.0 -89.5 153.5 2.0 36.4 25.4 42 42 A W - 0 0 102 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.894 8.4-142.2-131.8 162.1 2.1 33.8 22.6 43 43 A K E -I 58 0B 91 15,-1.9 15,-3.2 -2,-0.3 2,-0.2 -0.944 27.0-111.3-123.5 143.7 -0.2 32.2 20.1 44 44 A P E +I 57 0B 83 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.493 41.2 175.2 -74.9 145.3 -0.3 28.6 18.9 45 45 A K E -I 56 0B 65 11,-2.1 11,-3.0 -2,-0.2 2,-0.5 -0.991 25.6-142.0-148.4 153.0 0.7 28.0 15.4 46 46 A M E -I 55 0B 114 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.974 19.7-173.1-117.8 128.1 1.3 25.0 13.1 47 47 A I E -I 54 0B 19 7,-2.2 7,-1.9 -2,-0.5 2,-0.4 -0.973 8.8-149.9-123.6 139.6 4.2 25.1 10.6 48 48 A G E +I 53 0B 47 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.838 27.7 139.1-113.3 146.3 4.9 22.6 7.9 49 49 A G E > -I 52 0B 22 3,-2.3 3,-1.3 -2,-0.4 2,-0.4 -0.686 63.9 -27.9-150.9-155.0 8.1 21.4 6.3 50 50 A I T 3 S+ 0 0 34 1,-0.2 101,-1.9 -2,-0.2 102,-0.8 -0.584 132.1 25.6 -70.3 127.0 9.7 18.2 5.1 51 51 A G T 3 S- 0 0 35 -2,-0.4 2,-0.3 100,-0.3 -1,-0.2 0.032 122.8 -84.3 107.4 -26.6 8.2 15.5 7.3 52 52 A G E < -I 49 0B 27 -3,-1.3 -3,-2.3 100,-0.2 2,-0.2 -0.910 66.1 -30.3 129.1-156.9 5.0 17.2 8.1 53 53 A F E -I 48 0B 145 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.665 40.0-167.5-105.5 158.1 3.8 19.8 10.7 54 54 A I E -I 47 0B 21 -7,-1.9 -7,-2.2 -2,-0.2 2,-0.4 -0.971 25.4-118.5-138.9 149.8 4.8 20.7 14.2 55 55 A K E +I 46 0B 134 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.783 38.6 174.7 -92.0 132.8 3.0 22.9 16.8 56 56 A V E -I 45 0B 3 -11,-3.0 -11,-2.1 -2,-0.4 2,-0.5 -0.859 32.5-113.1-132.9 166.4 5.0 25.9 17.9 57 57 A R E -IJ 44 77B 56 20,-3.1 20,-2.2 -2,-0.3 2,-0.5 -0.903 29.9-143.3-103.9 128.6 4.4 29.0 20.1 58 58 A Q E -IJ 43 76B 33 -15,-3.2 -15,-1.9 -2,-0.5 2,-0.4 -0.831 18.3-178.9 -99.3 125.1 4.4 32.3 18.3 59 59 A Y E - J 0 75B 7 16,-2.6 16,-2.9 -2,-0.5 3,-0.3 -0.953 13.0-152.4-118.2 135.7 5.9 35.4 19.9 60 60 A D E + 0 0 72 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.0 -0.668 67.5 24.3-107.3 164.8 5.8 38.8 18.1 61 61 A Q E S+ 0 0 152 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.846 76.7 162.9 54.3 41.6 8.1 41.8 18.3 62 62 A I E - J 0 73B 18 11,-2.4 11,-1.7 -3,-0.3 2,-0.4 -0.756 34.0-132.9 -93.8 136.6 11.1 39.8 19.6 63 63 A L E + J 0 72B 96 -2,-0.4 -47,-0.4 9,-0.2 2,-0.3 -0.710 29.6 175.5 -88.8 135.2 14.6 41.4 19.3 64 64 A I E - J 0 71B 1 7,-2.8 7,-2.2 -2,-0.4 2,-0.6 -1.000 24.1-144.2-142.4 141.4 17.4 39.3 17.9 65 65 A E E -EJ 14 70B 59 -51,-2.5 -51,-2.1 -2,-0.3 2,-0.6 -0.920 15.5-172.7-107.0 123.5 21.0 39.9 17.0 66 66 A I E > S-EJ 13 69B 0 3,-3.5 3,-1.9 -2,-0.6 -53,-0.2 -0.934 74.3 -28.6-119.5 106.3 22.3 38.1 13.9 67 67 A C T 3 S- 0 0 53 -55,-1.6 -1,-0.1 -2,-0.6 -54,-0.1 0.887 127.8 -46.3 55.9 41.3 26.1 38.5 13.3 68 68 A G T 3 S+ 0 0 58 1,-0.2 2,-0.5 -56,-0.2 -1,-0.3 0.265 116.9 116.9 87.5 -13.3 26.0 41.8 15.1 69 69 A H E < - 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