==== 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 1MRW . 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) . 9948.0 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 . 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 . 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 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 88 0, 0.0 198,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 170.4 -0.3 38.9 18.6 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.971 360.0-164.9-117.9 124.2 -0.3 36.1 21.3 3 3 A I E -A 197 0A 37 194,-2.7 194,-2.2 -2,-0.5 2,-0.1 -0.928 8.7-145.1-113.5 127.1 0.6 32.6 20.2 4 4 A T - 0 0 76 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.370 10.6-137.7 -81.1 165.9 -0.0 29.6 22.4 5 5 A L S S+ 0 0 2 190,-0.3 186,-0.2 1,-0.2 185,-0.1 0.166 70.7 111.5-113.7 19.4 2.3 26.6 22.4 6 6 A W S S+ 0 0 193 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.831 94.4 13.9 -58.4 -31.5 -0.2 23.8 22.4 7 7 A K S S- 0 0 167 -3,-0.2 -1,-0.0 1,-0.0 0, 0.0 -0.884 112.4 -60.1-137.9 168.3 1.1 23.1 18.9 8 8 A R - 0 0 102 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.222 50.5-122.6 -53.4 132.4 4.1 24.2 16.8 9 9 A P + 0 0 5 0, 0.0 15,-2.4 0, 0.0 2,-0.3 -0.527 46.6 171.4 -79.1 77.9 4.1 28.0 16.4 10 10 A L E +D 23 0B 69 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.699 6.5 174.5 -92.3 139.7 4.1 28.0 12.6 11 11 A V E -D 22 0B 15 11,-2.8 11,-2.8 -2,-0.3 2,-0.3 -0.934 32.7-106.9-138.7 161.7 3.7 31.2 10.6 12 12 A T E -D 21 0B 91 -2,-0.3 55,-1.2 9,-0.2 2,-0.3 -0.688 38.3-175.3 -89.6 142.6 3.8 32.2 6.9 13 13 A I E -DE 20 66B 3 7,-3.1 7,-2.4 -2,-0.3 2,-0.5 -0.942 21.7-140.9-135.6 158.7 6.8 34.2 5.7 14 14 A K E +DE 19 65B 101 51,-2.0 51,-2.5 -2,-0.3 2,-0.4 -0.980 30.9 162.3-122.5 116.4 7.9 35.9 2.5 15 15 A I E > -DE 18 64B 1 3,-2.7 3,-2.0 -2,-0.5 49,-0.1 -0.995 66.3 -5.1-138.7 130.4 11.6 35.5 1.7 16 16 A G T 3 S- 0 0 45 47,-0.6 3,-0.1 -2,-0.4 -1,-0.1 0.842 128.1 -58.3 58.5 33.9 13.3 36.1 -1.7 17 17 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.552 117.2 113.8 74.1 5.5 9.9 36.6 -3.3 18 18 A Q E < -D 15 0B 78 -3,-2.0 -3,-2.7 2,-0.0 2,-0.3 -0.872 62.5-134.4-112.5 144.2 8.8 33.1 -2.2 19 19 A L E +D 14 0B 127 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.751 33.9 165.1 -94.0 143.6 6.2 32.2 0.4 20 20 A K E -D 13 0B 31 -7,-2.4 -7,-3.1 -2,-0.3 2,-0.4 -0.991 37.3-119.0-155.5 156.2 7.0 29.6 3.0 21 21 A E E +D 12 0B 123 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.812 40.4 177.3 -97.1 139.1 5.8 28.2 6.3 22 22 A A E -D 11 0B 1 -11,-2.8 -11,-2.8 -2,-0.4 2,-0.5 -0.968 28.2-115.4-144.2 160.2 8.3 28.6 9.2 23 23 A L E -Df 10 84B 6 60,-2.9 62,-3.2 -2,-0.3 2,-1.0 -0.829 19.7-133.9-102.2 127.1 8.7 27.9 12.9 24 24 A L E - f 0 85B 0 -15,-2.4 2,-0.6 -2,-0.5 62,-0.1 -0.704 36.5-174.5 -78.5 107.4 9.1 30.8 15.5 25 25 A D > + 0 0 14 60,-2.5 3,-1.2 -2,-1.0 62,-0.3 -0.855 28.1 179.4-118.9 101.5 12.0 29.2 17.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 98,-0.1 1,-0.2 -1,-0.1 0.644 86.2 60.8 -70.3 -14.9 13.3 30.9 20.6 27 27 A G T 3 S+ 0 0 12 81,-0.1 2,-0.5 96,-0.1 -1,-0.2 0.620 87.8 88.6 -86.4 -13.4 15.9 28.1 21.0 28 28 A A < - 0 0 15 -3,-1.2 59,-2.6 57,-0.2 60,-0.2 -0.748 55.1-166.8 -91.9 123.1 17.6 28.9 17.7 29 29 A D S S+ 0 0 54 -2,-0.5 59,-0.9 57,-0.2 2,-0.2 0.874 78.3 42.5 -70.3 -34.8 20.4 31.5 17.6 30 30 A D S S- 0 0 53 57,-0.1 2,-0.6 56,-0.1 57,-0.1 -0.630 81.1-118.1-112.7 167.6 20.0 31.6 13.8 31 31 A T - 0 0 1 43,-0.4 45,-2.9 -2,-0.2 2,-0.5 -0.915 34.5-170.9-102.9 123.5 17.4 31.6 11.1 32 32 A V E -gH 76 84B 6 52,-1.5 52,-3.4 -2,-0.6 2,-0.3 -0.970 4.5-174.1-125.3 126.2 17.6 28.6 8.8 33 33 A I E -g 77 0B 0 43,-3.1 45,-2.2 -2,-0.5 47,-0.2 -0.890 29.2-105.2-120.3 147.7 15.7 28.0 5.6 34 34 A E - 0 0 80 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.110 68.3 -55.4 -59.1 164.3 15.4 25.0 3.2 35 35 A E S S+ 0 0 109 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.143 79.4 137.8 -49.8 128.3 17.3 25.2 -0.1 36 36 A M - 0 0 16 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.968 55.1 -92.7-165.0 161.1 16.4 28.2 -2.1 37 37 A S - 0 0 97 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.681 42.7-179.2 -86.0 135.0 18.1 30.9 -4.2 38 38 A L - 0 0 12 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.979 24.3-113.8-134.7 148.7 19.1 34.1 -2.4 39 39 A P S S+ 0 0 92 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.297 71.9 29.1 -75.4 161.3 20.8 37.3 -3.7 40 40 A G S S- 0 0 69 19,-0.1 2,-0.2 -2,-0.1 -2,-0.1 -0.229 95.3 -47.2 85.4-175.6 24.2 38.5 -2.7 41 41 A R - 0 0 185 19,-0.1 19,-0.5 -2,-0.0 2,-0.3 -0.488 53.4-167.1 -91.9 165.3 27.4 36.7 -1.7 42 42 A W E -I 59 0B 76 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.961 11.9-151.7-149.1 164.5 27.6 33.9 0.9 43 43 A K E -I 58 0B 110 15,-1.2 15,-3.0 -2,-0.3 13,-0.0 -0.978 31.7 -99.7-138.8 149.9 30.0 31.8 3.0 44 44 A P E +I 57 0B 76 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.289 41.6 175.3 -67.9 155.2 29.9 28.3 4.4 45 45 A K E -I 56 0B 72 11,-1.7 11,-3.0 2,-0.0 2,-0.5 -0.972 23.7-137.8-160.0 146.6 28.9 27.7 8.0 46 46 A M E -I 55 0B 115 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.934 21.4-179.5-111.3 130.5 28.3 24.7 10.3 47 47 A I E -I 54 0B 19 7,-2.3 7,-2.5 -2,-0.5 2,-0.3 -0.965 6.0-172.2-127.4 146.0 25.4 24.7 12.7 48 48 A G E +I 53 0B 37 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.964 18.2 133.1-141.5 159.5 24.5 21.9 15.2 49 49 A G E > S-I 52 0B 20 3,-2.7 3,-1.9 -2,-0.3 100,-0.1 -0.698 70.7 -12.1-164.7-142.7 21.9 20.8 17.7 50 50 A I T 3 S+ 0 0 27 1,-0.3 3,-0.1 -2,-0.2 97,-0.1 0.866 135.6 36.8 -44.3 -51.9 19.9 17.7 18.6 51 51 A G T 3 S- 0 0 25 1,-0.3 2,-0.3 103,-0.1 -1,-0.3 0.497 118.9-106.3 -85.1 1.5 20.7 15.7 15.5 52 52 A G E < -I 49 0B 25 -3,-1.9 -3,-2.7 100,-0.1 2,-0.3 -0.867 60.1 -28.6 112.8-149.5 24.3 16.9 15.2 53 53 A F E -I 48 0B 145 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.775 43.7-172.3-112.3 153.6 25.6 19.4 12.7 54 54 A I E -I 47 0B 22 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.4 -0.958 26.3-119.7-134.8 152.3 24.7 20.4 9.1 55 55 A K E +I 46 0B 130 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.789 37.7 171.6 -95.7 138.3 26.5 22.7 6.6 56 56 A V E -I 45 0B 3 -11,-3.0 -11,-1.7 -2,-0.4 2,-0.5 -0.841 34.2-109.4-136.9 172.5 24.7 25.7 5.3 57 57 A R E -IJ 44 77B 48 20,-2.5 20,-2.4 -2,-0.3 2,-0.5 -0.939 28.8-142.3-109.7 124.3 25.3 28.9 3.3 58 58 A Q E -IJ 43 76B 25 -15,-3.0 -15,-1.2 -2,-0.5 2,-0.4 -0.766 18.9-177.4 -89.8 123.0 25.2 32.2 5.2 59 59 A Y E -IJ 42 75B 14 16,-2.5 16,-2.9 -2,-0.5 3,-0.3 -0.971 14.1-147.7-117.8 133.6 23.6 35.2 3.4 60 60 A D E + 0 0 79 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.1 -0.606 67.8 18.9-102.7 164.5 23.6 38.5 5.1 61 61 A Q E S+ 0 0 167 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.864 77.4 162.2 47.5 48.6 21.2 41.5 5.1 62 62 A I E - J 0 73B 14 11,-2.9 11,-2.1 -3,-0.3 2,-0.4 -0.807 33.7-133.7 -97.3 135.8 18.3 39.3 3.8 63 63 A I E - J 0 72B 105 -2,-0.4 -47,-0.6 9,-0.2 2,-0.4 -0.777 24.5-178.7 -93.7 131.5 14.8 40.8 4.1 64 64 A I E -EJ 15 71B 1 7,-3.2 7,-2.6 -2,-0.4 2,-0.6 -0.996 18.5-146.0-131.3 130.9 12.1 38.5 5.5 65 65 A E E -EJ 14 70B 88 -51,-2.5 -51,-2.0 -2,-0.4 2,-0.5 -0.865 19.6-176.4 -98.3 121.6 8.4 39.4 6.0 66 66 A I E > -EJ 13 69B 0 3,-3.4 3,-3.1 -2,-0.6 -53,-0.2 -0.970 67.0 -31.5-122.9 117.5 6.9 37.7 9.0 67 67 A C T 3 S- 0 0 65 -55,-1.2 -1,-0.1 -2,-0.5 3,-0.1 0.847 126.6 -45.5 43.8 42.9 3.2 38.1 9.8 68 68 A G T 3 S+ 0 0 55 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.250 117.4 111.9 89.5 -15.3 3.3 41.7 8.3 69 69 A H E < - J 0 66B 70 -3,-3.1 -3,-3.4 24,-0.0 2,-0.5 -0.821 59.7-142.8 -96.6 130.0 6.5 42.7 10.1 70 70 A K E - J 0 65B 149 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.777 22.8-179.0 -91.9 131.7 9.6 43.2 7.9 71 71 A A E - J 0 64B 1 -7,-2.6 -7,-3.2 -2,-0.5 2,-0.4 -0.973 13.3-155.5-131.5 146.2 12.9 42.1 9.3 72 72 A I E + J 0 63B 89 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.968 38.3 98.1-122.8 136.8 16.4 42.2 8.0 73 73 A G E - 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