==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 19-SEP-02 1MSN . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR S.VEGA,L.-W.KANG,A.VELAZQUEZ-CAMPOY,Y.KISO,L.M.AMZEL,E.FREIR . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10173.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 68.2 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 . 72 36.4 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 . 29 14.6 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 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 1 4 0 0 3 1 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 97 0, 0.0 198,-1.9 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 159.7 -0.4 39.5 18.9 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.954 360.0-161.4-117.4 113.2 -0.3 36.8 21.6 3 3 A I E -A 197 0A 40 194,-3.4 194,-2.5 -2,-0.6 2,-0.1 -0.842 7.3-148.3 -99.5 116.7 0.6 33.3 20.3 4 4 A T - 0 0 74 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.355 12.0-134.1 -75.0 162.7 -0.3 30.4 22.6 5 5 A L S S+ 0 0 3 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.101 71.1 112.2-110.7 25.3 1.9 27.4 22.4 6 6 A W S S+ 0 0 188 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.822 92.5 17.8 -62.7 -30.9 -0.6 24.5 22.3 7 7 A K S S- 0 0 154 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.834 110.0 -65.2-133.1 171.2 0.6 23.9 18.7 8 8 A R - 0 0 105 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.355 49.7-121.8 -60.7 132.0 3.7 24.9 16.7 9 9 A P + 0 0 5 0, 0.0 15,-2.8 0, 0.0 2,-0.3 -0.563 46.6 172.9 -78.7 82.3 3.8 28.7 16.2 10 10 A L E +D 23 0B 69 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.730 7.7 176.2 -96.1 141.3 3.8 28.6 12.4 11 11 A V E -D 22 0B 14 11,-2.9 11,-3.0 -2,-0.3 2,-0.5 -0.929 31.4-113.4-138.1 161.1 3.6 31.8 10.2 12 12 A T E -D 21 0B 94 -2,-0.3 55,-0.9 9,-0.2 2,-0.3 -0.828 38.2-177.2 -96.7 133.7 3.7 32.6 6.5 13 13 A I E -DE 20 66B 2 7,-3.4 7,-2.5 -2,-0.5 2,-0.5 -0.851 22.5-136.7-126.6 164.8 6.7 34.6 5.5 14 14 A K E +DE 19 65B 96 51,-2.3 51,-2.5 -2,-0.3 2,-0.4 -0.979 30.5 163.9-125.0 117.4 7.9 36.1 2.2 15 15 A I E > -DE 18 64B 1 3,-3.0 3,-2.6 -2,-0.5 49,-0.1 -0.999 67.1 -3.7-137.0 134.5 11.5 35.8 1.3 16 16 A G T 3 S- 0 0 45 47,-0.6 -1,-0.1 -2,-0.4 21,-0.1 0.855 129.4 -58.8 55.1 34.2 13.3 36.3 -2.0 17 17 A G T 3 S+ 0 0 66 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.422 117.2 115.9 76.7 -3.6 9.9 36.9 -3.5 18 18 A Q E < -D 15 0B 77 -3,-2.6 -3,-3.0 2,-0.0 2,-0.4 -0.757 62.2-134.1-102.0 146.1 8.8 33.4 -2.4 19 19 A L E +D 14 0B 127 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.801 33.7 167.4 -96.0 138.1 6.1 32.6 0.2 20 20 A K E -D 13 0B 26 -7,-2.5 -7,-3.4 -2,-0.4 2,-0.4 -0.977 35.5-119.2-147.7 157.5 7.0 30.0 2.8 21 21 A E E -D 12 0B 125 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.810 39.0-178.8 -97.0 139.6 5.7 28.6 6.1 22 22 A A E -D 11 0B 2 -11,-3.0 -11,-2.9 -2,-0.4 2,-0.5 -0.983 26.9-122.0-143.9 155.6 8.0 29.0 9.0 23 23 A L E -Df 10 84B 7 60,-2.9 62,-2.5 -2,-0.3 2,-0.8 -0.836 23.4-130.2 -99.5 123.4 8.3 28.2 12.7 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.5 62,-0.1 -0.622 37.1-172.3 -71.2 112.1 8.8 31.1 15.2 25 25 A D > + 0 0 20 60,-2.5 3,-1.3 -2,-0.8 62,-0.3 -0.852 29.6 177.6-122.0 102.1 11.8 29.6 17.1 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.711 86.2 62.8 -69.7 -19.3 13.2 31.2 20.3 27 27 A G T 3 S+ 0 0 20 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.605 88.1 86.1 -80.7 -10.4 15.7 28.3 20.6 28 28 A A < - 0 0 15 -3,-1.3 59,-3.0 57,-0.2 60,-0.2 -0.808 61.2-160.0 -96.4 124.2 17.3 29.3 17.3 29 29 A D S S+ 0 0 57 -2,-0.5 59,-1.5 57,-0.2 2,-0.2 0.909 80.0 18.5 -63.6 -42.0 20.1 32.0 17.3 30 30 A D S S- 0 0 42 57,-0.2 2,-0.4 56,-0.1 57,-0.2 -0.739 86.6 -95.3-126.4 173.5 19.5 32.6 13.6 31 31 A T E -g 75 0B 0 43,-0.6 45,-2.8 -2,-0.2 2,-0.4 -0.754 36.0-171.3 -92.4 132.7 17.0 32.1 10.8 32 32 A V E -gH 76 84B 6 52,-1.8 52,-2.6 -2,-0.4 2,-0.3 -0.995 2.6-173.8-129.2 130.4 17.5 29.0 8.6 33 33 A I E -g 77 0B 0 43,-3.0 45,-2.1 -2,-0.4 47,-0.2 -0.921 29.9 -99.3-126.6 149.4 15.5 28.3 5.5 34 34 A E - 0 0 78 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.096 68.9 -57.7 -57.1 161.5 15.3 25.3 3.1 35 35 A E S S+ 0 0 110 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.133 79.6 135.5 -48.3 129.2 17.3 25.5 -0.2 36 36 A M - 0 0 16 -3,-0.2 2,-0.4 2,-0.0 -20,-0.1 -0.955 55.7 -90.0-165.1 168.7 16.4 28.5 -2.3 37 37 A S - 0 0 97 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.776 41.3-179.9 -95.3 133.7 18.1 31.2 -4.3 38 38 A L - 0 0 11 -2,-0.4 2,-0.0 2,-0.1 24,-0.0 -0.983 26.6-110.9-133.4 145.6 19.1 34.4 -2.5 39 39 A P S S+ 0 0 95 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.303 72.9 22.8 -71.8 155.0 20.8 37.6 -3.9 40 40 A G S S- 0 0 67 19,-0.1 -2,-0.1 -2,-0.0 2,-0.1 -0.241 95.6 -37.6 88.1-175.8 24.3 38.7 -2.9 41 41 A R - 0 0 238 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.379 52.4-171.2 -84.0 163.6 27.4 36.9 -1.6 42 42 A W - 0 0 128 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.971 11.2-151.5-150.6 161.5 27.4 34.1 0.9 43 43 A K E -I 58 0B 116 15,-1.3 15,-3.2 -2,-0.3 13,-0.0 -0.978 30.8 -99.9-137.2 149.3 29.9 32.1 3.0 44 44 A P E +I 57 0B 79 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.290 43.0 171.3 -67.0 151.6 29.8 28.5 4.3 45 45 A K E -I 56 0B 78 11,-1.7 11,-3.1 2,-0.0 2,-0.4 -0.981 25.7-138.8-159.6 152.0 28.8 27.8 7.9 46 46 A M E -I 55 0B 114 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.969 20.4-176.1-117.7 131.7 28.0 24.8 10.1 47 47 A I E -I 54 0B 26 7,-2.3 7,-2.3 -2,-0.4 2,-0.3 -0.977 6.3-161.9-128.4 142.7 25.2 24.9 12.6 48 48 A G E +I 53 0B 40 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.908 23.3 134.1-130.1 156.9 24.2 22.3 15.1 49 49 A G E > -I 52 0B 20 3,-2.0 3,-2.2 -2,-0.3 2,-0.1 -0.719 67.8 -8.1-161.8-150.9 21.3 21.2 17.3 50 50 A I T 3 S+ 0 0 27 1,-0.3 101,-2.2 -2,-0.2 102,-0.7 -0.415 133.3 20.7 -60.6 128.7 19.5 17.9 18.2 51 51 A G T 3 S- 0 0 32 128,-0.5 2,-0.3 100,-0.2 -1,-0.3 0.284 121.5 -85.4 96.4 -12.9 20.9 15.3 15.8 52 52 A G E < -I 49 0B 27 -3,-2.2 -3,-2.0 100,-0.1 2,-0.3 -0.781 64.0 -31.5 117.6-159.7 24.1 17.1 14.9 53 53 A F E -I 48 0B 137 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.728 37.9-166.0-108.1 152.9 25.3 19.7 12.4 54 54 A I E -I 47 0B 19 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.4 -0.946 25.6-118.9-130.2 152.4 24.3 20.7 8.9 55 55 A K E +I 46 0B 134 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.774 37.8 175.9 -92.3 137.2 26.2 22.9 6.5 56 56 A V E -I 45 0B 3 -11,-3.1 -11,-1.7 -2,-0.4 2,-0.5 -0.893 32.0-115.9-135.8 165.1 24.4 26.1 5.4 57 57 A R E -IJ 44 77B 49 20,-3.0 20,-2.6 -2,-0.3 2,-0.6 -0.909 29.7-141.6-104.1 128.0 25.2 29.1 3.2 58 58 A Q E -IJ 43 76B 25 -15,-3.2 -15,-1.3 -2,-0.5 2,-0.4 -0.801 19.8-178.8 -95.6 123.5 25.1 32.4 5.2 59 59 A Y E - J 0 75B 10 16,-2.4 16,-2.8 -2,-0.6 3,-0.3 -0.974 12.2-153.0-117.9 133.0 23.6 35.5 3.5 60 60 A D E + 0 0 81 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.633 69.0 24.4-103.5 164.5 23.6 38.8 5.3 61 61 A Q E S+ 0 0 172 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.860 77.8 161.1 52.6 43.7 21.2 41.8 4.9 62 62 A I E - J 0 73B 13 11,-2.8 11,-2.0 -3,-0.3 2,-0.4 -0.787 33.2-135.6 -95.5 135.0 18.4 39.6 3.6 63 63 A I E - J 0 72B 106 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.776 23.9-179.1 -95.1 133.2 14.9 41.1 3.8 64 64 A I E -EJ 15 71B 2 7,-2.9 7,-2.7 -2,-0.4 2,-0.5 -0.981 20.1-142.7-131.7 142.6 12.0 39.0 5.0 65 65 A E E +EJ 14 70B 81 -51,-2.5 -51,-2.3 -2,-0.4 2,-0.4 -0.912 27.3 170.1-105.6 125.2 8.3 39.8 5.4 66 66 A I E > -EJ 13 69B 4 3,-2.7 3,-1.6 -2,-0.5 -53,-0.2 -0.954 62.0 -23.0-143.4 121.0 6.6 38.3 8.4 67 67 A C T 3 S- 0 0 61 -55,-0.9 3,-0.1 -2,-0.4 -1,-0.1 0.901 127.7 -44.9 47.9 52.6 3.1 38.9 9.8 68 68 A G T 3 S+ 0 0 77 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.550 119.3 111.5 73.5 6.8 2.9 42.4 8.3 69 69 A H E < - J 0 66B 75 -3,-1.6 -3,-2.7 2,-0.0 2,-0.6 -0.838 59.7-142.3-115.5 153.5 6.4 43.3 9.3 70 70 A K E + J 0 65B 161 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.948 25.8 178.7-114.1 112.1 9.6 43.9 7.4 71 71 A A E - 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