==== 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 1MSM . 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) . 10026.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 67.2 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 . 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 . 7 3.5 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 1 0 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 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 84 0, 0.0 198,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 158.4 -0.5 38.7 18.3 2 2 A Q E -A 198 0A 131 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.969 360.0-163.3-118.5 115.2 -0.3 36.2 21.2 3 3 A I E -A 197 0A 37 194,-2.7 194,-2.5 -2,-0.5 2,-0.1 -0.876 6.0-148.0-106.0 124.2 0.7 32.7 20.1 4 4 A T - 0 0 76 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.391 12.2-134.8 -81.2 164.0 0.0 29.7 22.4 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.097 72.2 110.0-111.0 24.2 2.4 26.8 22.4 6 6 A W S S+ 0 0 191 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.860 94.0 18.7 -62.8 -34.2 -0.1 23.9 22.3 7 7 A K S S- 0 0 155 -3,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.810 111.5 -67.1-128.9 169.3 1.1 23.3 18.8 8 8 A R - 0 0 97 -2,-0.3 2,-1.9 1,-0.1 119,-0.1 -0.341 51.1-120.1 -58.8 133.3 4.2 24.3 16.8 9 9 A P + 0 0 4 0, 0.0 15,-2.6 0, 0.0 2,-0.4 -0.540 46.2 172.4 -79.8 81.7 4.2 28.1 16.3 10 10 A L E +D 23 0B 71 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.736 4.7 176.3 -93.1 136.8 4.2 28.1 12.5 11 11 A V E -D 22 0B 15 11,-3.0 11,-2.9 -2,-0.4 2,-0.4 -0.893 32.5-107.1-134.1 164.6 3.7 31.3 10.6 12 12 A T E -D 21 0B 88 -2,-0.3 55,-1.1 9,-0.2 2,-0.3 -0.791 39.2-176.1 -94.6 135.0 3.8 32.4 6.9 13 13 A I E -DE 20 66B 2 7,-3.1 7,-2.3 -2,-0.4 2,-0.5 -0.904 21.0-140.4-128.8 158.6 6.8 34.4 5.8 14 14 A K E +DE 19 65B 105 51,-2.2 51,-1.9 -2,-0.3 2,-0.3 -0.982 32.4 157.4-121.5 120.8 7.9 36.1 2.6 15 15 A I E > -DE 18 64B 2 3,-2.4 3,-2.1 -2,-0.5 49,-0.1 -0.994 63.4 -2.3-146.4 135.2 11.5 35.8 1.6 16 16 A G T 3 S- 0 0 46 47,-0.6 21,-0.1 -2,-0.3 3,-0.1 0.799 128.1 -57.0 57.0 29.7 13.3 36.1 -1.8 17 17 A G T 3 S+ 0 0 71 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.481 117.9 99.0 83.0 0.5 10.0 36.6 -3.5 18 18 A Q E < -D 15 0B 78 -3,-2.1 -3,-2.4 2,-0.0 2,-0.4 -0.876 68.9-121.5-124.3 158.0 8.4 33.4 -2.3 19 19 A L E +D 14 0B 126 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.771 34.7 169.9 -95.4 138.7 6.0 32.3 0.4 20 20 A K E -D 13 0B 27 -7,-2.3 -7,-3.1 -2,-0.4 2,-0.4 -0.980 33.6-122.1-145.6 154.8 7.1 29.8 3.0 21 21 A E E +D 12 0B 117 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.831 39.2 179.6 -96.3 135.6 5.8 28.3 6.3 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-3.0 -2,-0.4 2,-0.5 -0.976 26.9-118.8-141.7 156.1 8.3 28.8 9.2 23 23 A L E -Df 10 84B 4 60,-2.9 62,-3.0 -2,-0.3 2,-1.0 -0.799 20.7-131.9 -98.1 127.2 8.6 28.0 12.9 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.1 -0.678 36.1-175.3 -77.6 106.1 9.1 30.8 15.5 25 25 A D > + 0 0 16 60,-2.5 3,-1.0 -2,-1.0 62,-0.3 -0.873 27.2 180.0-116.8 103.1 12.0 29.3 17.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.2 98,-0.1 0.655 86.6 61.9 -71.5 -14.6 13.4 31.0 20.5 27 27 A G T 3 S+ 0 0 15 81,-0.1 2,-0.5 96,-0.1 -1,-0.2 0.659 86.8 86.1 -84.4 -16.6 16.0 28.2 20.8 28 28 A A < - 0 0 18 -3,-1.0 59,-2.9 57,-0.2 60,-0.2 -0.743 61.8-159.4 -89.4 125.4 17.6 29.1 17.5 29 29 A D S S+ 0 0 59 -2,-0.5 59,-1.2 57,-0.2 2,-0.2 0.861 78.7 17.5 -68.9 -34.6 20.2 31.8 17.6 30 30 A D S S- 0 0 49 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.638 86.3 -93.9-127.9-175.5 19.8 32.4 13.9 31 31 A T - 0 0 0 43,-0.4 45,-3.3 -2,-0.2 2,-0.4 -0.907 32.9-174.4-109.0 126.6 17.4 31.8 11.0 32 32 A V E -gH 76 84B 6 52,-1.3 52,-2.9 -2,-0.5 2,-0.3 -0.981 3.0-173.0-125.1 128.4 17.7 28.8 8.7 33 33 A I E -g 77 0B 0 43,-3.4 45,-2.1 -2,-0.4 3,-0.2 -0.888 30.5 -99.1-120.9 149.5 15.6 28.2 5.6 34 34 A E - 0 0 77 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.096 69.8 -57.1 -56.7 161.8 15.4 25.2 3.2 35 35 A E S S+ 0 0 110 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.149 79.8 138.9 -49.5 125.3 17.3 25.4 -0.1 36 36 A M - 0 0 13 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.971 54.9 -91.4-161.8 161.2 16.3 28.5 -2.1 37 37 A S + 0 0 101 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.644 44.3 174.7 -84.2 135.4 17.9 31.2 -4.2 38 38 A L - 0 0 14 -2,-0.3 2,-0.1 2,-0.1 24,-0.0 -0.980 28.2-108.2-138.5 151.2 19.0 34.4 -2.4 39 39 A P S S+ 0 0 94 0, 0.0 2,-0.0 0, 0.0 -23,-0.0 -0.333 71.4 27.1 -77.7 159.1 20.9 37.5 -3.5 40 40 A G S S- 0 0 66 19,-0.1 -2,-0.1 -2,-0.1 2,-0.1 -0.122 93.9 -47.0 86.1 177.1 24.5 38.5 -2.6 41 41 A R - 0 0 185 19,-0.0 19,-0.5 -2,-0.0 2,-0.3 -0.381 54.2-157.5 -81.8 165.5 27.6 36.6 -1.6 42 42 A W E -I 59 0B 77 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.955 9.3-144.7-143.2 161.0 27.6 33.9 1.0 43 43 A K E -I 58 0B 146 15,-1.3 15,-2.9 -2,-0.3 13,-0.1 -0.984 28.0-110.5-130.0 137.8 29.9 32.1 3.4 44 44 A P E +I 57 0B 67 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.307 43.4 168.2 -65.0 148.9 29.9 28.4 4.4 45 45 A K E -I 56 0B 70 11,-2.0 11,-3.1 2,-0.0 2,-0.4 -0.990 29.1-134.8-160.3 154.9 29.0 27.6 8.0 46 46 A M E -I 55 0B 111 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.953 19.1-175.6-116.9 135.1 28.0 24.7 10.3 47 47 A I E -I 54 0B 31 7,-2.2 7,-2.2 -2,-0.4 2,-0.3 -0.975 10.5-176.4-127.1 143.2 25.1 24.8 12.7 48 48 A G E +I 53 0B 39 -2,-0.4 5,-0.3 5,-0.2 2,-0.2 -0.946 20.1 124.4-142.8 163.7 24.3 22.1 15.2 49 49 A G E > +I 52 0B 19 3,-2.7 3,-2.4 -2,-0.3 2,-0.1 -0.767 67.0 14.1-174.2-138.7 21.9 20.9 17.8 50 50 A I T 3 S+ 0 0 19 1,-0.3 101,-2.3 -2,-0.2 102,-0.7 -0.384 132.6 14.3 -59.5 127.7 19.8 17.8 18.5 51 51 A G T 3 S- 0 0 31 128,-0.4 2,-0.3 100,-0.2 -1,-0.3 0.361 122.6 -85.5 89.1 -7.6 21.0 15.1 16.2 52 52 A G E < -I 49 0B 26 -3,-2.4 -3,-2.7 100,-0.1 2,-0.3 -0.812 63.4 -36.8 115.0-153.6 24.2 16.8 15.2 53 53 A F E -I 48 0B 142 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.2 -0.767 35.1-165.3-118.6 160.7 25.2 19.5 12.6 54 54 A I E -I 47 0B 22 -7,-2.2 -7,-2.2 -2,-0.3 2,-0.4 -0.951 27.3-114.1-138.2 155.0 24.4 20.4 9.0 55 55 A K E +I 46 0B 136 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.762 38.5 173.7 -94.0 138.2 26.2 22.7 6.6 56 56 A V E -I 45 0B 2 -11,-3.1 -11,-2.0 -2,-0.4 2,-0.5 -0.875 30.6-117.6-136.7 168.5 24.5 25.9 5.5 57 57 A R E -IJ 44 77B 50 20,-2.4 20,-2.2 -2,-0.3 2,-0.6 -0.942 26.2-138.3-111.7 130.4 25.3 29.0 3.5 58 58 A Q E -IJ 43 76B 45 -15,-2.9 -15,-1.3 -2,-0.5 2,-0.4 -0.792 20.8-178.5 -94.3 120.1 25.2 32.4 5.2 59 59 A Y E -IJ 42 75B 14 16,-2.3 16,-2.8 -2,-0.6 3,-0.3 -0.940 14.8-147.6-113.9 138.2 23.6 35.3 3.4 60 60 A D E + 0 0 84 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.0 -0.655 66.5 19.5-108.2 163.9 23.6 38.8 5.0 61 61 A Q E S+ 0 0 170 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.890 77.1 166.4 49.1 49.4 21.2 41.7 5.0 62 62 A I E - J 0 73B 12 11,-2.6 11,-1.8 -3,-0.3 2,-0.3 -0.813 30.6-135.1 -97.0 131.0 18.3 39.6 3.8 63 63 A I E + J 0 72B 109 -2,-0.5 -47,-0.6 9,-0.2 2,-0.3 -0.677 28.1 174.5 -87.1 137.8 14.8 41.1 4.0 64 64 A I E -EJ 15 71B 3 7,-2.8 7,-2.9 -2,-0.3 2,-0.5 -0.981 21.3-147.4-140.7 151.2 12.0 39.0 5.3 65 65 A E E +EJ 14 70B 68 -51,-1.9 -51,-2.2 -2,-0.3 2,-0.4 -0.988 16.6 179.6-123.2 127.8 8.3 39.7 6.1 66 66 A I E > S-EJ 13 69B 7 3,-2.7 3,-2.2 -2,-0.5 -53,-0.2 -0.968 71.3 -22.7-132.9 116.2 6.6 37.8 8.9 67 67 A C T 3 S- 0 0 60 -55,-1.1 3,-0.1 -2,-0.4 -1,-0.1 0.849 128.5 -49.2 54.2 37.2 3.0 38.4 9.9 68 68 A G T 3 S+ 0 0 57 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.271 114.3 117.7 89.6 -12.6 3.1 41.8 8.3 69 69 A H E < - J 0 66B 72 -3,-2.2 -3,-2.7 24,-0.0 2,-0.5 -0.795 55.4-145.6 -94.8 126.1 6.3 42.8 10.0 70 70 A K E + J 0 65B 157 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.779 25.5 171.0 -92.2 126.6 9.4 43.6 7.8 71 71 A A E - J 0 64B 4 -7,-2.9 -7,-2.8 -2,-0.5 2,-0.4 -0.925 19.8-148.9-132.8 157.3 12.7 42.6 9.3 72 72 A I E + J 0 63B 89 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.976 37.7 104.2-128.4 141.8 16.3 42.5 8.0 73 73 A G E - 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