==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-MAY-04 1T7K . COMPND 2 MOLECULE: POL POLYPROTEIN [CONTAINS: PROTEASE . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.P.HUANG,J.T.RANDOLPH,L.L.KLEIN,S.VASAVANONDA,T.DEKHTYAR, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10127.0 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 . 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 . 30 15.2 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 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 98 0, 0.0 198,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 147.1 29.7 39.8 3.9 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.876 360.0-159.2-104.4 134.6 29.3 37.2 1.3 3 3 A I E -A 197 0A 40 194,-3.1 194,-2.8 -2,-0.4 2,-0.1 -0.971 5.1-149.6-119.6 123.4 28.5 33.7 2.5 4 4 A T - 0 0 71 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.461 13.2-132.0 -85.9 163.2 29.1 30.6 0.3 5 5 A L S S+ 0 0 3 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.131 72.2 109.7-106.6 21.5 27.0 27.5 0.5 6 6 A W S S+ 0 0 180 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.838 93.6 24.2 -62.0 -32.7 29.6 24.6 0.7 7 7 A Q S S- 0 0 137 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.818 110.0 -74.4-125.9 167.5 28.3 24.2 4.3 8 8 A R - 0 0 100 -2,-0.3 2,-1.6 1,-0.1 119,-0.1 -0.394 52.8-115.1 -59.3 135.1 25.1 25.1 6.1 9 9 A P + 0 0 5 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.571 47.8 178.0 -78.8 90.4 25.1 28.9 6.6 10 10 A L E +D 23 0B 72 -2,-1.6 2,-0.3 13,-0.2 13,-0.2 -0.798 6.2 172.3-101.0 132.8 25.2 29.0 10.4 11 11 A V E -D 22 0B 18 11,-2.5 11,-2.8 -2,-0.4 2,-0.4 -0.841 32.2-114.0-130.4 168.3 25.4 32.1 12.4 12 12 A T E -D 21 0B 89 -2,-0.3 55,-1.3 9,-0.2 2,-0.3 -0.874 33.9-173.4-104.2 134.8 25.2 33.1 16.1 13 13 A I E -DE 20 66B 2 7,-2.7 7,-2.2 -2,-0.4 2,-0.5 -0.859 18.6-138.0-124.8 161.6 22.2 35.2 17.1 14 14 A K E +DE 19 65B 94 51,-1.9 51,-2.4 -2,-0.3 2,-0.4 -0.982 31.8 160.1-123.4 119.1 21.4 36.8 20.4 15 15 A I E > -D 18 0B 2 3,-2.7 3,-2.2 -2,-0.5 49,-0.1 -0.995 65.5 -7.6-142.8 133.9 17.8 36.6 21.6 16 16 A G T 3 S- 0 0 55 47,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.876 129.0 -55.0 50.4 42.1 16.2 37.0 25.0 17 17 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.652 116.6 117.5 68.4 14.3 19.7 37.3 26.5 18 18 A Q E < -D 15 0B 83 -3,-2.2 -3,-2.7 2,-0.0 2,-0.6 -0.932 58.4-142.1-119.3 139.6 20.6 33.9 25.0 19 19 A L E +D 14 0B 131 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.874 31.1 171.6 -98.9 124.0 23.3 33.1 22.4 20 20 A K E -D 13 0B 32 -7,-2.2 -7,-2.7 -2,-0.6 2,-0.4 -0.926 33.2-124.0-132.1 155.9 22.2 30.5 19.9 21 21 A E E +D 12 0B 124 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.782 39.1 178.8 -95.4 141.7 23.5 28.9 16.7 22 22 A A E -D 11 0B 1 -11,-2.8 -11,-2.5 -2,-0.4 2,-0.5 -0.990 29.7-118.9-148.1 157.4 21.0 29.2 13.8 23 23 A L E -Df 10 84B 6 60,-2.8 62,-2.7 -2,-0.3 2,-0.9 -0.832 22.2-135.9 -98.5 121.1 20.6 28.4 10.1 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.5 62,-0.1 -0.664 33.3-174.1 -75.4 110.0 20.0 31.2 7.6 25 25 A D > - 0 0 16 60,-2.5 3,-1.6 -2,-0.9 62,-0.2 -0.873 29.1-178.2-119.2 104.8 17.2 29.7 5.6 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.623 88.2 63.5 -69.3 -12.3 15.8 31.4 2.5 27 27 A G T 3 S+ 0 0 19 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.452 87.0 84.9 -90.7 -2.4 13.4 28.5 2.3 28 28 A A < - 0 0 16 -3,-1.6 59,-3.2 57,-0.2 60,-0.2 -0.900 58.4-162.5-106.7 123.7 11.7 29.4 5.5 29 29 A D S S+ 0 0 53 -2,-0.5 59,-1.2 57,-0.2 2,-0.3 0.881 78.9 34.9 -65.3 -39.4 8.9 31.9 5.7 30 30 A D S S- 0 0 42 57,-0.2 2,-0.6 56,-0.1 57,-0.1 -0.751 81.3-112.3-121.0 165.5 9.4 32.2 9.4 31 31 A T - 0 0 0 43,-0.5 45,-3.1 -2,-0.3 2,-0.4 -0.822 38.3-180.0 -92.4 124.2 11.9 32.2 12.1 32 32 A V E -gH 76 84B 7 52,-1.6 52,-3.2 -2,-0.6 2,-0.3 -0.991 2.6-174.2-133.0 126.0 11.4 29.1 14.3 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.2 -2,-0.4 47,-0.2 -0.831 31.6 -93.7-119.2 154.7 13.6 28.3 17.3 34 34 A E S S- 0 0 93 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.129 73.9 -52.9 -59.0 162.5 13.9 25.3 19.6 35 35 A E S S+ 0 0 121 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.061 80.4 139.2 -43.0 124.4 11.9 25.5 22.9 36 36 A M - 0 0 15 -3,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.968 51.3 -98.2-161.0 164.4 12.7 28.6 24.8 37 37 A S - 0 0 96 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.719 36.5-179.5 -94.5 143.5 10.9 31.3 26.9 38 38 A L - 0 0 12 -2,-0.3 2,-0.0 2,-0.1 24,-0.0 -0.998 26.4-113.6-141.6 143.0 9.9 34.6 25.3 39 39 A P S S+ 0 0 98 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.318 73.4 31.1 -73.2 157.4 8.1 37.7 26.8 40 40 A G S S- 0 0 66 19,-0.1 -2,-0.1 2,-0.0 2,-0.1 -0.269 95.6 -44.4 92.0-179.3 4.7 38.7 25.7 41 41 A R - 0 0 223 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.413 52.9-163.3 -85.0 163.5 1.6 37.0 24.5 42 42 A W - 0 0 116 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.986 11.6-146.2-147.9 155.9 1.6 34.2 21.9 43 43 A K E -I 58 0B 137 15,-1.6 15,-3.2 -2,-0.3 2,-0.1 -0.942 30.2-108.8-122.8 144.7 -0.8 32.4 19.6 44 44 A P E +I 57 0B 74 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.456 40.6 177.8 -72.9 143.7 -0.6 28.7 18.6 45 45 A K E -I 56 0B 78 11,-2.6 11,-2.9 -2,-0.1 2,-0.5 -0.963 22.6-140.3-142.3 159.4 0.5 28.0 15.0 46 46 A M E -I 55 0B 119 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.988 21.0-179.5-124.4 125.6 1.1 24.9 12.9 47 47 A I E +I 54 0B 31 7,-2.4 7,-2.3 -2,-0.5 2,-0.3 -0.961 5.4 178.5-125.7 146.5 4.0 24.7 10.4 48 48 A G E +I 53 0B 37 -2,-0.4 2,-0.3 5,-0.3 5,-0.3 -0.884 19.3 126.6-142.0 172.6 5.0 21.9 8.1 49 49 A G E > S+I 52 0B 21 3,-1.6 3,-2.0 -2,-0.3 100,-0.1 -0.875 70.6 14.5 174.0-141.7 7.4 20.7 5.4 50 50 A I T 3 S+ 0 0 22 -2,-0.3 101,-2.1 1,-0.3 102,-0.6 -0.338 133.8 16.1 -58.6 128.0 9.6 17.6 5.1 51 51 A G T 3 S- 0 0 33 128,-0.3 2,-0.3 100,-0.2 -1,-0.3 0.041 121.0 -94.6 96.1 -27.2 8.5 15.1 7.7 52 52 A G E < -I 49 0B 24 -3,-2.0 -3,-1.6 100,-0.1 2,-0.3 -0.907 61.8 -25.4 123.9-149.3 5.2 16.9 8.3 53 53 A F E -I 48 0B 146 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.714 38.2-170.2-112.7 159.5 3.9 19.4 10.8 54 54 A I E -I 47 0B 20 -7,-2.3 -7,-2.4 -2,-0.3 2,-0.4 -0.978 26.0-119.6-141.6 149.0 4.7 20.6 14.3 55 55 A K E +I 46 0B 139 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.725 37.5 175.1 -91.2 140.2 2.8 22.9 16.6 56 56 A V E -I 45 0B 3 -11,-2.9 -11,-2.6 -2,-0.4 2,-0.5 -0.908 32.2-112.9-140.2 167.6 4.6 26.1 17.7 57 57 A R E -IJ 44 77B 60 20,-2.6 20,-2.1 -2,-0.3 2,-0.6 -0.912 28.2-142.9-104.9 127.0 4.0 29.3 19.7 58 58 A Q E -IJ 43 76B 48 -15,-3.2 -15,-1.6 -2,-0.5 2,-0.5 -0.806 17.7-175.9 -95.2 122.3 4.0 32.5 17.7 59 59 A Y E - J 0 75B 8 16,-2.4 16,-2.9 -2,-0.6 3,-0.3 -0.971 9.7-156.9-116.3 127.1 5.5 35.5 19.4 60 60 A D E + 0 0 73 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.601 66.3 26.5-101.4 164.5 5.4 38.9 17.7 61 61 A Q E S+ 0 0 178 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.915 77.4 159.2 53.1 52.1 7.6 42.0 18.1 62 62 A I E - J 0 73B 12 11,-2.1 11,-2.0 -3,-0.3 2,-0.3 -0.896 35.7-133.8-107.6 133.0 10.7 40.1 19.3 63 63 A L E + J 0 72B 102 -2,-0.5 -47,-0.5 9,-0.2 2,-0.3 -0.648 28.8 174.4 -86.4 140.6 14.1 41.7 19.1 64 64 A I E - J 0 71B 0 7,-2.8 7,-3.4 -2,-0.3 2,-0.6 -0.997 25.7-142.5-146.3 142.5 17.0 39.5 17.8 65 65 A E E -EJ 14 70B 48 -51,-2.4 -51,-1.9 -2,-0.3 2,-0.5 -0.922 21.6-177.0-110.0 112.4 20.6 40.2 16.9 66 66 A I E > S-EJ 13 69B 0 3,-3.1 3,-3.3 -2,-0.6 -53,-0.2 -0.938 71.2 -23.8-112.5 122.6 21.8 38.3 13.9 67 67 A C T 3 S- 0 0 46 -55,-1.3 -1,-0.2 -2,-0.5 -54,-0.1 0.815 130.5 -47.7 49.0 32.9 25.5 38.6 12.8 68 68 A G T 3 S+ 0 0 54 -56,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.443 114.9 121.3 90.1 -1.1 25.6 41.9 14.6 69 69 A H E < - J 0 66B 67 -3,-3.3 -3,-3.1 2,-0.0 2,-0.9 -0.878 56.6-143.3-103.0 119.6 22.4 43.2 13.1 70 70 A K E + J 0 65B 154 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.3 -0.699 30.6 173.6 -82.9 106.6 19.5 44.1 15.5 71 71 A A E - J 0 64B 5 -7,-3.4 -7,-2.8 -2,-0.9 2,-0.4 -0.819 24.3-144.3-117.5 154.8 16.2 43.0 13.9 72 72 A I E + J 0 63B 111 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.941 41.7 111.4-116.3 135.8 12.6 43.0 15.1 73 73 A G E - J 0 62B 12 -11,-2.0 -11,-2.1 -2,-0.4 2,-0.2 -0.996 60.9 -52.0-179.6-178.1 10.2 40.3 14.0 74 74 A T E - 0 0 30 -2,-0.3 -43,-0.5 -13,-0.2 2,-0.4 -0.526 43.6-166.1 -77.6 142.0 7.9 37.2 14.6 75 75 A V E - J 0 59B 0 -16,-2.9 -16,-2.4 -2,-0.2 2,-0.4 -0.987 7.0-156.1-134.9 125.0 9.5 34.2 16.3 76 76 A L E -gJ 32 58B 1 -45,-3.1 -43,-2.9 -2,-0.4 2,-0.5 -0.831 9.7-161.0-100.4 135.9 8.0 30.8 16.4 77 77 A V E +gJ 33 57B 1 -20,-2.1 -20,-2.6 -2,-0.4 -43,-0.2 -0.972 33.4 108.4-120.7 128.8 9.1 28.5 19.2 78 78 A G S S- 0 0 0 -45,-2.2 2,-2.0 -2,-0.5 -43,-0.4 -0.968 76.0 -49.2-173.6-172.6 8.6 24.7 19.0 79 79 A P + 0 0 84 0, 0.0 -45,-0.1 0, 0.0 -23,-0.1 -0.213 69.9 152.4 -75.2 50.3 10.1 21.2 18.7 80 80 A T - 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