==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-FEB-06 2CEM . COMPND 2 MOLECULE: POL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR N.GINMAN,J.K.EKEGREN,A.JOHANSSON,H.WALLBERG,M.LARHED, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.2 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 . 71 35.9 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 . 12 6.1 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 3 2 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 87 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 168.1 29.5 39.4 4.9 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.957 360.0-160.7-110.8 121.8 29.3 36.9 2.1 3 3 A I E -A 197 0A 35 194,-3.5 194,-2.4 -2,-0.5 2,-0.1 -0.905 6.3-147.6-107.5 121.3 28.4 33.4 3.3 4 4 A T - 0 0 63 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.339 10.7-136.3 -79.3 166.7 29.2 30.4 1.0 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.078 73.2 108.3-114.0 24.3 27.0 27.3 1.0 6 6 A W S S+ 0 0 164 2,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.841 94.8 21.5 -66.3 -32.6 29.7 24.6 1.0 7 7 A Q S S- 0 0 134 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.791 113.0 -71.5-124.9 169.2 28.5 23.9 4.6 8 8 A R - 0 0 139 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.398 51.6-116.1 -62.2 138.1 25.2 24.8 6.3 9 9 A P + 0 0 3 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.548 48.8 170.5 -80.7 80.8 25.1 28.6 6.9 10 10 A L E +D 23 0B 70 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.745 4.3 173.8 -94.0 138.3 25.0 28.6 10.7 11 11 A V E -D 22 0B 14 11,-2.7 11,-3.0 -2,-0.4 2,-0.4 -0.912 34.1-102.5-138.3 164.5 25.4 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 -0.741 37.1-172.4 -91.0 135.2 25.2 33.0 16.2 13 13 A I E -DE 20 66B 1 7,-3.3 7,-2.2 -2,-0.4 2,-0.5 -0.874 16.3-143.0-123.5 158.6 22.1 34.8 17.3 14 14 A K E +DE 19 65B 66 51,-2.0 51,-1.6 -2,-0.3 2,-0.3 -0.983 33.1 153.6-124.5 118.4 21.3 36.6 20.5 15 15 A I E > +DE 18 64B 0 3,-2.7 3,-2.2 -2,-0.5 49,-0.1 -0.992 62.0 0.3-149.0 138.9 17.7 36.3 21.8 16 16 A G T 3 S- 0 0 45 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.796 128.6 -58.3 56.8 29.2 16.0 36.4 25.2 17 17 A G T 3 S+ 0 0 66 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.604 118.1 111.3 77.1 11.1 19.4 37.1 26.8 18 18 A Q E < -D 15 0B 79 -3,-2.2 -3,-2.7 2,-0.0 2,-0.5 -0.844 63.0-135.2-118.6 154.5 20.7 33.8 25.3 19 19 A L E +D 14 0B 131 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.943 32.5 169.4-109.9 124.6 23.2 33.0 22.6 20 20 A K E -D 13 0B 40 -7,-2.2 -7,-3.3 -2,-0.5 2,-0.4 -0.925 34.3-120.8-134.1 157.6 22.2 30.3 20.2 21 21 A E E +D 12 0B 119 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.831 38.9 179.8 -96.6 135.0 23.5 28.9 16.9 22 22 A A E -D 11 0B 0 -11,-3.0 -11,-2.7 -2,-0.4 2,-0.5 -0.957 27.8-117.6-139.4 158.0 20.9 29.1 14.0 23 23 A L E -Df 10 84B 13 60,-2.7 62,-3.2 -2,-0.3 2,-0.9 -0.810 20.9-134.4 -97.6 125.8 20.5 28.2 10.3 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.1 -0.707 34.2-174.4 -78.8 110.1 20.0 31.0 7.8 25 25 A D > - 0 0 15 60,-2.5 3,-1.7 -2,-0.9 62,-0.3 -0.857 26.9-179.6-119.3 100.4 17.2 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 0.680 88.2 60.2 -68.3 -16.2 15.9 31.0 2.6 27 27 A G T 3 S+ 0 0 19 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.269 87.7 92.0 -94.0 11.1 13.4 28.2 2.3 28 28 A A < - 0 0 15 -3,-1.7 59,-3.1 57,-0.2 60,-0.2 -0.932 55.5-166.0-110.6 120.7 11.8 29.0 5.7 29 29 A D S S+ 0 0 56 -2,-0.5 59,-1.0 57,-0.2 2,-0.2 0.901 78.2 28.8 -66.8 -41.5 8.8 31.3 5.8 30 30 A D S S- 0 0 49 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.663 81.0-112.1-118.1 171.7 9.2 31.7 9.6 31 31 A T - 0 0 0 43,-0.4 45,-2.7 -2,-0.2 2,-0.4 -0.895 35.5-178.3-104.0 129.6 11.8 31.6 12.3 32 32 A V E -gH 76 84B 5 52,-1.7 52,-2.9 -2,-0.5 2,-0.3 -0.993 4.4-169.5-136.2 128.6 11.5 28.7 14.7 33 33 A L E -g 77 0B 0 43,-3.1 45,-2.2 -2,-0.4 47,-0.2 -0.809 31.1 -95.9-115.8 156.3 13.7 28.0 17.7 34 34 A E S S- 0 0 82 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.220 72.9 -54.2 -63.7 158.4 14.1 25.0 19.9 35 35 A E S S+ 0 0 123 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.005 81.8 136.8 -39.9 124.5 12.1 25.0 23.2 36 36 A M - 0 0 15 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.970 52.8 -95.6-163.1 166.6 12.9 28.2 25.2 37 37 A S + 0 0 96 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.760 37.5 178.5 -96.6 138.6 11.2 30.8 27.2 38 38 A L - 0 0 10 -2,-0.4 2,-0.1 2,-0.1 39,-0.0 -0.987 27.3-111.2-137.1 147.4 10.2 34.2 25.7 39 39 A P S S+ 0 0 93 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.345 71.0 25.1 -76.0 156.6 8.3 37.2 27.2 40 40 A G S S- 0 0 55 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.256 95.0 -32.8 91.3-176.9 4.8 38.3 26.3 41 41 A R - 0 0 129 19,-0.1 19,-0.5 -2,-0.1 2,-0.3 -0.388 54.6-167.3 -79.6 157.5 1.7 36.7 24.9 42 42 A W - 0 0 128 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.962 12.0-154.0-144.6 161.1 1.7 33.8 22.5 43 43 A K E -I 58 0B 130 15,-1.4 15,-2.9 -2,-0.3 2,-0.1 -0.979 29.9-107.6-135.4 143.9 -0.7 32.0 20.2 44 44 A P E +I 57 0B 42 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.384 39.1 177.4 -71.5 152.7 -0.5 28.3 18.9 45 45 A K E -I 56 0B 68 11,-2.0 11,-2.8 -2,-0.1 2,-0.5 -0.987 24.9-139.4-154.5 148.2 0.4 27.6 15.3 46 46 A M E -I 55 0B 113 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.957 22.7-172.6-111.1 125.6 1.0 24.6 13.1 47 47 A I E -I 54 0B 21 7,-2.1 7,-2.0 -2,-0.5 2,-0.4 -0.949 9.9-144.5-120.5 142.2 3.9 24.8 10.7 48 48 A G E +I 53 0B 48 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.866 25.6 152.9-114.6 141.8 4.8 22.3 8.0 49 49 A G E > -I 52 0B 20 3,-3.0 3,-1.7 -2,-0.4 2,-0.3 -0.562 61.8 -45.5-136.1-161.9 8.0 21.0 6.6 50 50 A I T 3 S+ 0 0 26 1,-0.3 101,-1.4 -2,-0.2 102,-0.6 -0.620 132.1 31.0 -71.7 136.4 9.2 17.9 5.0 51 51 A G T 3 S- 0 0 33 128,-0.3 2,-0.3 -2,-0.3 -1,-0.3 0.255 124.0 -85.6 99.0 -15.6 7.8 15.1 7.1 52 52 A G E < -I 49 0B 24 -3,-1.7 -3,-3.0 100,-0.2 99,-0.3 -0.805 63.7 -28.9 121.1-160.0 4.8 17.0 8.1 53 53 A F E -I 48 0B 140 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.708 38.0-167.7-106.2 154.8 3.6 19.6 10.7 54 54 A I E -I 47 0B 21 -7,-2.0 -7,-2.1 -2,-0.3 2,-0.4 -0.941 26.4-117.2-133.1 153.0 4.7 20.3 14.3 55 55 A K E +I 46 0B 124 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.794 39.0 171.7 -95.5 136.0 2.9 22.5 16.8 56 56 A V E -I 45 0B 3 -11,-2.8 -11,-2.0 -2,-0.4 2,-0.4 -0.883 33.9-111.7-137.3 166.7 4.7 25.6 18.0 57 57 A R E -IJ 44 77B 63 20,-2.8 20,-2.3 -2,-0.3 2,-0.6 -0.867 29.7-141.6-101.5 135.6 4.1 28.8 20.1 58 58 A Q E -IJ 43 76B 43 -15,-2.9 -15,-1.4 -2,-0.4 2,-0.5 -0.885 17.7-176.4-104.3 119.8 4.1 32.1 18.3 59 59 A Y E - J 0 75B 5 16,-2.5 16,-3.1 -2,-0.6 3,-0.3 -0.960 12.8-153.9-113.5 126.2 5.6 35.1 19.9 60 60 A D E + 0 0 53 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.613 67.2 21.1 -99.8 159.8 5.4 38.5 18.1 61 61 A Q E S+ 0 0 148 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.908 78.0 166.3 53.8 49.6 7.6 41.5 18.2 62 62 A I E - J 0 73B 10 11,-3.0 11,-1.4 -3,-0.3 2,-0.3 -0.840 34.2-129.0 -99.2 128.9 10.6 39.7 19.6 63 63 A L E + J 0 72B 105 -2,-0.5 -47,-0.5 9,-0.2 2,-0.3 -0.555 36.6 166.7 -76.4 135.1 13.9 41.4 19.6 64 64 A I E -EJ 15 71B 1 7,-2.8 7,-2.7 -2,-0.3 2,-0.4 -0.985 25.9-148.0-146.8 154.8 16.8 39.4 18.1 65 65 A E E -EJ 14 70B 67 -51,-1.6 -51,-2.0 -2,-0.3 2,-0.5 -0.992 11.3-171.3-129.7 124.9 20.3 40.0 16.8 66 66 A I E > S-EJ 13 69B 0 3,-2.9 3,-2.6 -2,-0.4 -53,-0.2 -0.966 73.9 -23.4-120.0 118.5 21.9 38.1 14.0 67 67 A C T 3 S- 0 0 54 -55,-1.6 -1,-0.2 -2,-0.5 -54,-0.1 0.870 129.3 -48.0 50.4 41.1 25.6 38.5 13.2 68 68 A G T 3 S+ 0 0 49 1,-0.2 2,-0.6 -56,-0.2 -1,-0.3 0.324 114.4 119.9 85.5 -9.2 25.5 41.8 14.9 69 69 A H E < - 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