==== 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 18-SEP-02 1MRX . 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) . 10027.0 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 . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 36.9 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 . 30 15.2 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 2 3 0 0 2 1 3 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 92 0, 0.0 198,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0-177.1 -0.4 39.1 18.5 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.970 360.0-166.2-127.1 115.0 -0.4 36.4 21.2 3 3 A I E -A 197 0A 40 194,-2.7 194,-2.4 -2,-0.5 2,-0.1 -0.894 8.4-149.7-107.0 117.7 0.6 32.9 20.1 4 4 A T - 0 0 72 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.378 14.4-132.6 -77.0 161.8 -0.1 30.0 22.5 5 5 A L S S+ 0 0 3 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.079 71.6 114.1-106.6 25.3 2.2 27.0 22.4 6 6 A W S S+ 0 0 198 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.846 91.9 13.7 -60.6 -33.1 -0.4 24.2 22.3 7 7 A K S S- 0 0 141 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.846 110.8 -60.8-135.1 171.9 0.8 23.5 18.8 8 8 A R - 0 0 97 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.293 50.4-124.0 -56.5 131.2 3.9 24.4 16.7 9 9 A P + 0 0 5 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.493 44.8 171.2 -80.6 75.8 4.0 28.2 16.2 10 10 A L E +D 23 0B 60 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.659 5.3 175.6 -87.7 139.6 4.1 28.1 12.4 11 11 A V E -D 22 0B 14 11,-2.8 11,-3.1 -2,-0.3 2,-0.4 -0.944 32.3-108.6-139.6 159.2 3.8 31.4 10.4 12 12 A T E -D 21 0B 88 -2,-0.3 55,-1.0 9,-0.2 2,-0.3 -0.742 37.3-173.7 -90.5 136.4 4.0 32.4 6.8 13 13 A I E -DE 20 66B 2 7,-3.1 7,-2.3 -2,-0.4 2,-0.5 -0.916 20.0-140.4-128.1 155.1 7.0 34.4 5.7 14 14 A K E +DE 19 65B 98 51,-1.9 51,-2.2 -2,-0.3 2,-0.3 -0.977 33.3 158.1-117.2 120.8 8.0 36.1 2.5 15 15 A I E > -DE 18 64B 2 3,-2.6 3,-2.3 -2,-0.5 49,-0.1 -0.991 64.1 -3.2-145.7 133.7 11.7 35.8 1.6 16 16 A G T 3 S- 0 0 44 47,-0.6 21,-0.1 -2,-0.3 3,-0.1 0.847 128.3 -58.0 55.6 34.9 13.4 36.1 -1.8 17 17 A G T 3 S+ 0 0 69 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.528 118.3 110.2 74.3 4.1 10.1 36.6 -3.5 18 18 A Q E < -D 15 0B 78 -3,-2.3 -3,-2.6 2,-0.0 2,-0.4 -0.781 63.3-133.7-112.2 157.1 8.9 33.3 -2.2 19 19 A L E +D 14 0B 123 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.903 32.5 166.8-108.2 137.1 6.3 32.3 0.5 20 20 A K E -D 13 0B 29 -7,-2.3 -7,-3.1 -2,-0.4 2,-0.4 -0.983 36.9-116.9-148.0 156.7 7.2 29.7 3.1 21 21 A E E -D 12 0B 117 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.811 40.2-179.1 -94.6 133.5 5.9 28.3 6.3 22 22 A A E -D 11 0B 0 -11,-3.1 -11,-2.8 -2,-0.4 2,-0.5 -0.983 27.5-119.7-138.6 152.0 8.4 28.9 9.2 23 23 A L E -Df 10 84B 10 60,-2.9 62,-3.2 -2,-0.3 2,-1.0 -0.744 22.4-131.3 -91.3 124.5 8.6 28.1 12.9 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.1 -0.691 39.1-173.1 -75.5 107.2 8.9 31.0 15.4 25 25 A D > + 0 0 17 60,-2.3 3,-1.1 -2,-1.0 62,-0.3 -0.848 30.1 177.6-119.1 101.5 11.9 29.5 17.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 98,-0.1 0.654 85.0 62.2 -70.7 -17.3 13.3 31.1 20.5 27 27 A G T 3 S+ 0 0 16 81,-0.1 2,-0.5 96,-0.1 -1,-0.2 0.631 88.2 87.6 -82.8 -13.6 15.8 28.3 20.9 28 28 A A < - 0 0 16 -3,-1.1 59,-2.8 57,-0.2 60,-0.2 -0.762 54.9-167.9 -93.1 123.5 17.5 29.1 17.6 29 29 A D S S+ 0 0 49 -2,-0.5 59,-1.0 57,-0.2 2,-0.2 0.859 79.2 41.5 -70.8 -35.7 20.3 31.7 17.5 30 30 A D S S- 0 0 47 57,-0.1 2,-0.6 56,-0.1 57,-0.1 -0.672 82.5-117.9-112.8 166.0 20.0 31.8 13.7 31 31 A T - 0 0 1 43,-0.4 45,-3.1 -2,-0.2 2,-0.5 -0.911 34.3-169.8-102.3 121.2 17.3 31.8 11.0 32 32 A V E -gH 76 84B 6 52,-1.5 52,-2.7 -2,-0.6 2,-0.3 -0.964 4.4-174.0-120.7 127.0 17.6 28.7 8.9 33 33 A I E -g 77 0B 0 43,-3.1 45,-2.2 -2,-0.5 47,-0.2 -0.893 29.5-104.6-120.2 148.2 15.7 28.2 5.6 34 34 A E - 0 0 74 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.190 68.2 -55.8 -62.7 160.0 15.5 25.1 3.3 35 35 A E S S+ 0 0 109 43,-0.4 2,-0.3 42,-0.1 -1,-0.2 -0.071 80.4 138.3 -43.4 127.2 17.4 25.2 0.0 36 36 A M - 0 0 15 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.964 54.0 -91.4-164.1 164.1 16.4 28.3 -2.0 37 37 A S + 0 0 96 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.699 41.9 177.3 -89.0 135.3 18.0 31.0 -4.2 38 38 A L - 0 0 11 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.994 25.7-117.9-138.2 144.6 19.1 34.2 -2.5 39 39 A P S S+ 0 0 101 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.366 71.2 39.2 -77.0 158.5 20.9 37.4 -3.9 40 40 A G S S- 0 0 66 -2,-0.1 2,-0.1 19,-0.1 -2,-0.1 -0.262 93.4 -54.7 94.5 175.8 24.2 38.6 -2.7 41 41 A R - 0 0 189 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.448 52.5-164.8 -88.4 165.5 27.4 36.8 -1.7 42 42 A W E -I 59 0B 76 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.965 12.3-149.5-148.2 163.8 27.7 34.0 0.9 43 43 A K E -I 58 0B 112 15,-1.3 15,-2.6 -2,-0.3 13,-0.1 -0.987 31.6-100.4-137.5 145.2 30.1 32.1 3.0 44 44 A P E +I 57 0B 76 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.198 41.6 174.1 -61.9 153.0 30.0 28.5 4.4 45 45 A K E -I 56 0B 69 11,-1.6 11,-2.9 2,-0.0 2,-0.5 -0.980 24.2-140.3-159.2 150.2 29.0 27.8 8.0 46 46 A M E -I 55 0B 117 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.967 20.5-175.4-117.3 129.9 28.3 24.8 10.2 47 47 A I E -I 54 0B 19 7,-2.3 7,-2.1 -2,-0.5 2,-0.4 -0.968 5.0-161.0-126.5 143.4 25.4 24.8 12.7 48 48 A G E +I 53 0B 38 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.954 24.3 130.6-131.8 146.7 24.5 22.2 15.3 49 49 A G E > -I 52 0B 20 3,-2.4 3,-2.1 -2,-0.4 2,-0.2 -0.607 67.6 -8.2-153.4-146.7 21.6 21.2 17.4 50 50 A I T 3 S+ 0 0 27 1,-0.3 101,-2.3 -2,-0.2 102,-0.6 -0.461 133.2 20.4 -63.3 125.5 19.7 18.0 18.1 51 51 A G T 3 S- 0 0 32 128,-0.4 2,-0.3 -2,-0.2 -1,-0.3 0.326 122.1 -86.6 97.5 -9.3 21.0 15.3 15.8 52 52 A G E < -I 49 0B 27 -3,-2.1 -3,-2.4 100,-0.1 2,-0.3 -0.766 64.5 -31.8 113.5-157.1 24.3 17.0 15.1 53 53 A F E -I 48 0B 140 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.711 37.6-167.9-110.1 158.5 25.5 19.6 12.5 54 54 A I E -I 47 0B 21 -7,-2.1 -7,-2.3 -2,-0.3 2,-0.4 -0.959 26.0-118.6-136.8 152.5 24.6 20.5 9.0 55 55 A K E +I 46 0B 134 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.798 39.0 172.4 -95.1 136.8 26.5 22.8 6.6 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-1.6 -2,-0.4 2,-0.5 -0.835 33.3-109.6-136.4 172.0 24.7 25.9 5.3 57 57 A R E -IJ 44 77B 51 20,-2.9 20,-2.6 -2,-0.3 2,-0.6 -0.931 27.5-142.2-109.2 126.3 25.3 29.1 3.3 58 58 A Q E -IJ 43 76B 30 -15,-2.6 -15,-1.3 -2,-0.5 2,-0.4 -0.797 19.7-179.0 -93.3 117.5 25.2 32.4 5.2 59 59 A Y E -IJ 42 75B 15 16,-2.6 16,-2.7 -2,-0.6 3,-0.3 -0.941 14.5-148.9-112.3 135.1 23.6 35.3 3.4 60 60 A D E + 0 0 72 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.0 -0.639 66.8 20.4-106.1 164.6 23.6 38.7 5.1 61 61 A Q E S+ 0 0 171 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.874 77.2 164.2 50.3 46.8 21.2 41.7 5.0 62 62 A I E - J 0 73B 15 11,-3.1 11,-1.8 -3,-0.3 2,-0.3 -0.804 31.6-134.7 -96.1 131.5 18.3 39.5 3.8 63 63 A I E + J 0 72B 108 -2,-0.4 -47,-0.6 9,-0.2 2,-0.3 -0.662 25.4 179.6 -88.1 139.8 14.8 41.0 4.0 64 64 A I E -EJ 15 71B 3 7,-2.8 7,-3.2 -2,-0.3 2,-0.6 -0.998 21.3-143.2-139.6 143.0 12.0 38.9 5.3 65 65 A E E -EJ 14 70B 90 -51,-2.2 -51,-1.9 -2,-0.3 2,-0.5 -0.934 20.2-178.1-108.3 121.3 8.3 39.7 5.9 66 66 A I E > -EJ 13 69B 0 3,-3.2 3,-2.4 -2,-0.6 -53,-0.2 -0.952 68.6 -33.5-125.6 112.6 6.8 38.0 9.0 67 67 A C T 3 S- 0 0 65 -55,-1.0 -1,-0.1 -2,-0.5 3,-0.1 0.879 128.0 -41.5 46.0 47.5 3.1 38.5 9.7 68 68 A G T 3 S+ 0 0 58 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.401 117.1 115.0 85.4 -3.8 3.2 42.1 8.3 69 69 A H E < - J 0 66B 69 -3,-2.4 -3,-3.2 2,-0.0 2,-0.6 -0.892 55.9-148.0-106.2 123.1 6.6 42.9 9.9 70 70 A K E + J 0 65B 158 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.773 24.0 176.5 -89.2 123.1 9.6 43.6 7.6 71 71 A A E - J 0 64B 1 -7,-3.2 -7,-2.8 -2,-0.6 2,-0.4 -0.965 17.0-152.2-128.9 145.7 12.8 42.5 9.2 72 72 A I E + J 0 63B 87 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.933 37.9 104.8-117.7 140.0 16.4 42.5 7.9 73 73 A G E - 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