==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JUN-05 2A4F . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.ZHAO,H.SHAM,M.SUN,S.LIN,V.STOLL,K.D.STEWART,H.MO, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 64.1 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 . 23 11.6 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 91 0, 0.0 198,-1.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 161.6 29.4 39.0 4.8 2 2 A Q E -A 198 0A 134 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.963 360.0-165.6-114.1 121.0 29.3 36.5 1.9 3 3 A I E -A 197 0A 37 194,-2.8 194,-2.5 -2,-0.5 2,-0.1 -0.923 7.0-149.0-112.3 120.0 28.4 33.0 3.0 4 4 A T - 0 0 61 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.315 13.8-132.1 -78.7 170.0 28.9 30.1 0.6 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.146 75.2 107.7-111.7 19.7 26.7 27.0 0.6 6 6 A W S S+ 0 0 176 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.827 94.6 23.5 -63.8 -30.4 29.4 24.2 0.6 7 7 A Q S S- 0 0 133 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.860 111.7 -72.9-128.2 163.9 28.3 23.7 4.2 8 8 A R - 0 0 138 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.327 50.5-117.3 -58.3 136.0 25.1 24.5 6.1 9 9 A P + 0 0 3 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.528 48.8 170.3 -79.2 79.5 24.9 28.3 6.7 10 10 A L E +D 23 0B 75 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.753 5.3 172.2 -95.4 137.4 25.0 28.3 10.5 11 11 A V E -D 22 0B 13 11,-2.7 11,-3.2 -2,-0.4 2,-0.3 -0.928 34.2-106.4-138.1 161.0 25.4 31.5 12.5 12 12 A T E -D 21 0B 78 -2,-0.3 55,-1.3 9,-0.2 2,-0.3 -0.687 35.3-168.3 -89.0 142.2 25.2 32.4 16.1 13 13 A I E -DE 20 66B 2 7,-3.4 7,-2.5 -2,-0.3 2,-0.5 -0.941 15.0-143.5-129.0 153.5 22.2 34.4 17.3 14 14 A K E +DE 19 65B 107 51,-2.4 51,-2.2 -2,-0.3 2,-0.3 -0.979 32.2 156.4-119.2 119.4 21.4 36.3 20.5 15 15 A I E > -D 18 0B 2 3,-2.9 3,-1.7 -2,-0.5 49,-0.1 -0.977 64.4 -2.6-148.0 130.7 17.9 36.1 21.7 16 16 A G T 3 S- 0 0 53 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.867 128.3 -57.8 58.9 37.5 16.4 36.5 25.2 17 17 A G T 3 S+ 0 0 73 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.595 117.7 114.5 69.8 9.7 19.8 37.0 26.6 18 18 A Q E < -D 15 0B 81 -3,-1.7 -3,-2.9 2,-0.0 2,-0.4 -0.866 60.1-139.4-115.4 148.2 20.7 33.6 25.2 19 19 A L E +D 14 0B 131 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.888 31.3 163.9-105.1 134.3 23.3 32.6 22.5 20 20 A K E -D 13 0B 39 -7,-2.5 -7,-3.4 -2,-0.4 2,-0.4 -0.975 36.9-116.6-147.2 157.9 22.3 29.9 20.0 21 21 A E E -D 12 0B 119 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.817 38.1-179.2 -96.2 135.8 23.3 28.5 16.6 22 22 A A E -D 11 0B 0 -11,-3.2 -11,-2.7 -2,-0.4 2,-0.5 -0.969 27.3-118.9-138.9 154.8 20.8 28.8 13.8 23 23 A L E -Df 10 84B 10 60,-2.7 62,-3.1 -2,-0.3 2,-1.0 -0.792 21.5-133.7 -94.0 124.5 20.4 28.0 10.2 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.1 -0.698 35.2-173.6 -77.5 106.8 19.9 30.8 7.6 25 25 A D > - 0 0 15 60,-2.6 3,-1.6 -2,-1.0 62,-0.3 -0.852 26.7-179.5-116.0 100.7 17.1 29.2 5.7 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.699 86.8 59.8 -67.6 -18.4 15.7 30.9 2.5 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.434 89.2 86.9 -88.7 -1.6 13.2 28.1 2.2 28 28 A A < - 0 0 15 -3,-1.6 59,-2.7 57,-0.2 60,-0.2 -0.888 58.3-163.4-103.0 126.9 11.6 28.8 5.5 29 29 A D S S+ 0 0 50 -2,-0.5 59,-1.3 57,-0.2 2,-0.3 0.882 76.8 33.8 -71.9 -38.6 8.8 31.5 5.7 30 30 A D S S- 0 0 53 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.760 81.5-113.1-119.1 163.7 9.1 31.8 9.5 31 31 A T E -g 75 0B 0 43,-0.6 45,-2.9 -2,-0.3 2,-0.4 -0.814 36.4-178.6 -95.4 128.4 11.8 31.6 12.2 32 32 A V E -gH 76 84B 6 52,-1.4 52,-3.0 -2,-0.5 2,-0.3 -0.995 3.2-172.6-134.1 129.1 11.4 28.7 14.5 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.2 -2,-0.4 47,-0.2 -0.832 31.9 -93.7-119.7 157.2 13.5 27.8 17.5 34 34 A E S S- 0 0 77 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.164 73.1 -54.8 -61.3 161.1 13.8 24.9 19.9 35 35 A E S S+ 0 0 110 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.073 80.7 137.0 -43.0 126.6 11.8 25.1 23.1 36 36 A M - 0 0 18 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.962 51.9 -97.1-163.9 167.2 12.7 28.2 25.1 37 37 A S + 0 0 97 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.766 36.9 176.9 -99.9 142.1 11.0 30.9 27.1 38 38 A L - 0 0 13 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.981 28.0-107.9-140.5 151.1 10.1 34.3 25.6 39 39 A P S S+ 0 0 96 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.334 73.2 27.9 -78.0 159.6 8.3 37.4 27.0 40 40 A G S S- 0 0 67 19,-0.1 2,-0.1 -2,-0.1 -2,-0.1 -0.329 95.5 -41.8 90.1-172.4 4.8 38.5 26.1 41 41 A R - 0 0 221 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.469 53.8-159.3 -90.9 165.3 1.7 36.7 24.9 42 42 A W - 0 0 123 -2,-0.1 17,-0.2 17,-0.1 -2,-0.0 -0.969 11.5-143.8-145.6 160.1 1.6 34.0 22.3 43 43 A K E -I 58 0B 120 15,-1.7 15,-2.7 -2,-0.3 2,-0.1 -0.964 29.0-113.5-124.5 140.0 -0.7 32.2 19.8 44 44 A P E +I 57 0B 76 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.444 41.8 174.8 -71.6 146.9 -0.7 28.5 18.9 45 45 A K E -I 56 0B 75 11,-2.0 11,-2.9 -2,-0.1 2,-0.5 -0.984 26.2-137.8-150.3 156.0 0.3 27.8 15.4 46 46 A M E -I 55 0B 119 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.978 20.5-175.8-119.7 126.9 1.0 24.8 13.2 47 47 A I E -I 54 0B 22 7,-2.2 7,-2.4 -2,-0.5 2,-0.3 -0.968 8.0-177.4-123.8 139.7 3.9 24.7 10.8 48 48 A G E +I 53 0B 41 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.868 19.9 125.4-135.6 169.8 4.8 22.0 8.4 49 49 A G E > +I 52 0B 26 3,-2.2 3,-2.2 -2,-0.3 2,-0.1 -0.828 67.9 12.4-179.4-141.1 7.2 20.7 5.7 50 50 A I T 3 S+ 0 0 23 1,-0.3 101,-2.3 -2,-0.2 102,-0.7 -0.384 132.3 15.6 -60.0 128.1 9.2 17.6 5.2 51 51 A G T 3 S- 0 0 31 100,-0.3 2,-0.3 99,-0.2 -1,-0.3 0.218 122.5 -85.6 92.9 -16.6 7.9 14.9 7.6 52 52 A G E < -I 49 0B 25 -3,-2.2 -3,-2.2 100,-0.2 2,-0.3 -0.876 64.9 -34.3 121.1-152.5 4.7 16.7 8.4 53 53 A F E -I 48 0B 149 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.795 36.5-162.5-116.4 157.5 3.7 19.4 11.0 54 54 A I E -I 47 0B 20 -7,-2.4 -7,-2.2 -2,-0.3 2,-0.4 -0.939 25.7-118.5-131.1 152.9 4.7 20.4 14.5 55 55 A K E +I 46 0B 138 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.779 38.8 177.4 -93.9 137.1 2.8 22.6 16.9 56 56 A V E -I 45 0B 4 -11,-2.9 -11,-2.0 -2,-0.4 2,-0.5 -0.848 32.1-115.3-135.3 168.8 4.5 25.8 18.0 57 57 A R E -IJ 44 77B 52 20,-2.7 20,-2.5 -2,-0.3 2,-0.6 -0.929 30.2-143.5-105.7 129.0 4.0 28.9 20.1 58 58 A Q E -IJ 43 76B 33 -15,-2.7 -15,-1.7 -2,-0.5 2,-0.4 -0.860 18.5-178.1-101.1 117.2 4.0 32.2 18.1 59 59 A Y E - J 0 75B 13 16,-2.7 16,-3.0 -2,-0.6 3,-0.3 -0.936 11.2-155.5-111.8 133.0 5.6 35.2 19.7 60 60 A D E + 0 0 74 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.663 66.2 24.4-107.2 163.4 5.5 38.6 17.9 61 61 A Q E S+ 0 0 171 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.912 78.0 163.2 52.8 50.3 7.8 41.7 18.1 62 62 A I E - J 0 73B 11 11,-2.8 11,-1.7 -3,-0.3 2,-0.3 -0.860 35.5-129.1-102.8 131.1 10.8 39.7 19.5 63 63 A L E + J 0 72B 102 -2,-0.5 -47,-0.5 9,-0.2 2,-0.3 -0.585 33.2 171.2 -78.9 137.1 14.2 41.2 19.4 64 64 A I E - J 0 71B 0 7,-2.9 7,-2.5 -2,-0.3 2,-0.5 -0.997 24.1-148.7-145.8 144.9 17.0 39.1 17.9 65 65 A E E -EJ 14 70B 52 -51,-2.2 -51,-2.4 -2,-0.3 2,-0.5 -0.971 16.0-177.7-119.3 120.4 20.6 39.7 16.9 66 66 A I E > S-EJ 13 69B 0 3,-2.7 3,-2.3 -2,-0.5 -53,-0.2 -0.969 72.4 -21.4-121.4 116.1 22.0 37.8 14.0 67 67 A C T 3 S- 0 0 58 -55,-1.3 -1,-0.2 -2,-0.5 3,-0.1 0.900 127.6 -51.3 53.2 43.7 25.7 38.2 13.0 68 68 A G T 3 S+ 0 0 54 1,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.233 115.5 119.7 80.3 -16.4 25.7 41.6 14.8 69 69 A H E < - 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