==== 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 22-DEC-05 2FGU . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.E.FOULKES,M.PRABU-JEYABALAN,D.COOPER,C.A.SCHIFFER . 200 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 35.5 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 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.0 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 3 2 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 81 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 179.9 13.5 14.9 1.0 2 2 A Q E -A 198 0A 128 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.971 360.0-158.5-113.6 127.6 17.0 14.8 2.3 3 3 A I E -A 197 0A 25 194,-3.3 194,-2.7 -2,-0.5 2,-0.1 -0.929 7.4-146.7-115.2 121.6 17.5 13.8 5.9 4 4 A T - 0 0 67 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.382 8.1-140.7 -81.0 157.3 20.7 14.8 7.7 5 5 A L S S+ 0 0 3 190,-0.4 186,-0.2 1,-0.1 185,-0.1 0.270 74.4 103.3-110.2 12.2 22.3 12.6 10.3 6 6 A W S S+ 0 0 192 185,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.819 96.2 23.5 -54.9 -36.1 23.4 15.3 12.8 7 7 A K S S- 0 0 167 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.852 113.3 -71.8-122.9 164.8 20.4 14.2 14.9 8 8 A R - 0 0 135 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.325 54.1-116.1 -50.4 130.4 18.5 10.9 15.0 9 9 A P + 0 0 3 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.482 51.3 168.1 -77.3 75.6 16.6 10.7 11.7 10 10 A L E +D 23 0B 61 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.741 4.0 169.2 -92.1 136.2 13.1 10.8 13.3 11 11 A V E -D 22 0B 15 11,-2.6 11,-2.5 -2,-0.4 2,-0.4 -0.924 37.0 -95.8-141.3 162.3 10.1 11.4 11.1 12 12 A T E -D 21 0B 78 -2,-0.3 55,-2.3 9,-0.2 2,-0.3 -0.701 39.9-177.6 -83.8 134.1 6.4 11.2 11.4 13 13 A I E -DE 20 66B 1 7,-2.9 7,-2.4 -2,-0.4 2,-0.5 -0.871 19.5-139.7-120.6 159.1 4.6 8.0 10.2 14 14 A R E +DE 19 65B 104 51,-2.2 51,-2.6 -2,-0.3 2,-0.3 -0.989 28.9 160.5-118.2 126.7 1.0 7.0 10.1 15 15 A I E > S+D 18 0B 2 3,-2.8 3,-1.1 -2,-0.5 49,-0.1 -0.960 75.5 3.5-147.4 128.6 0.0 3.5 11.1 16 16 A G T 3 S- 0 0 67 47,-0.5 3,-0.1 -2,-0.3 -1,-0.1 0.755 128.2 -69.3 65.6 28.1 -3.5 2.5 12.0 17 17 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.326 112.1 123.9 62.5 -11.3 -4.3 6.1 11.2 18 18 A Q E < -D 15 0B 44 -3,-1.1 -3,-2.8 1,-0.0 2,-0.4 -0.595 60.5-133.5 -72.3 142.0 -2.3 7.0 14.3 19 19 A L E +D 14 0B 122 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.833 33.9 167.8 -93.0 134.3 0.6 9.4 13.8 20 20 A K E -D 13 0B 47 -7,-2.4 -7,-2.9 -2,-0.4 2,-0.4 -0.929 36.3-113.0-139.8 164.0 3.9 8.4 15.5 21 21 A E E +D 12 0B 123 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.866 40.6 178.2-100.8 135.6 7.6 9.4 15.5 22 22 A A E -Df 11 83B 0 -11,-2.5 -11,-2.6 -2,-0.4 2,-0.5 -0.986 28.5-117.0-146.7 151.8 9.9 6.8 14.0 23 23 A L E -Df 10 84B 12 60,-3.1 62,-3.1 -2,-0.3 2,-0.8 -0.709 21.4-133.3 -94.0 122.4 13.6 6.3 13.3 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.1 -0.717 35.2-173.0 -77.5 115.1 14.7 5.8 9.7 25 25 A D > + 0 0 1 60,-2.6 3,-1.5 -2,-0.8 62,-0.3 -0.850 28.8 175.9-129.4 90.6 17.1 2.9 10.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.668 86.4 60.9 -64.6 -21.5 19.3 1.5 7.5 27 27 A G T 3 S+ 0 0 2 175,-0.4 175,-1.3 81,-0.1 2,-0.5 0.425 88.3 87.0 -83.4 -1.2 20.8 -0.9 10.0 28 28 A A < - 0 0 0 -3,-1.5 59,-2.8 173,-0.3 60,-0.2 -0.889 55.1-166.7-103.5 124.5 17.4 -2.6 10.7 29 29 A D S S+ 0 0 40 -2,-0.5 59,-1.1 57,-0.2 2,-0.2 0.854 78.6 43.3 -65.7 -36.6 16.3 -5.5 8.5 30 30 A D S S- 0 0 41 57,-0.2 2,-0.6 56,-0.1 57,-0.1 -0.585 82.4-116.4-113.1 163.6 12.8 -5.2 10.1 31 31 A T - 0 0 1 43,-0.4 45,-2.9 -2,-0.2 2,-0.5 -0.921 35.8-171.8-101.4 119.7 10.3 -2.5 11.1 32 32 A V E -gH 76 84B 0 52,-1.5 52,-3.3 -2,-0.6 2,-0.4 -0.962 2.1-164.2-123.2 125.6 9.8 -2.6 14.8 33 33 A L E -g 77 0B 2 43,-3.7 45,-2.2 -2,-0.5 47,-0.4 -0.849 26.9-104.5-111.6 144.4 7.1 -0.6 16.7 34 34 A E - 0 0 71 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.196 67.7 -67.4 -48.6 147.4 6.6 0.3 20.3 35 35 A E S S+ 0 0 105 43,-0.4 2,-0.3 45,-0.3 -1,-0.2 -0.187 71.5 157.1 -49.1 124.9 3.9 -1.8 21.9 36 36 A M - 0 0 30 -3,-0.2 2,-1.4 2,-0.1 -3,-0.1 -0.982 46.9-115.4-150.3 152.5 0.5 -0.9 20.4 37 37 A N + 0 0 145 -2,-0.3 -2,-0.1 40,-0.0 40,-0.0 -0.382 40.8 176.7 -96.6 62.8 -2.7 -2.9 20.2 38 38 A L - 0 0 17 -2,-1.4 2,-0.1 1,-0.1 -2,-0.1 -0.354 26.9-124.0 -63.1 134.9 -3.2 -3.5 16.5 39 39 A P + 0 0 112 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.382 64.9 58.5 -70.0 158.8 -6.1 -5.7 15.5 40 40 A G S S- 0 0 59 -2,-0.1 2,-0.1 2,-0.0 19,-0.0 -0.359 88.1 -49.9 114.0 170.1 -5.6 -8.8 13.4 41 41 A K + 0 0 94 -2,-0.1 19,-0.3 19,-0.1 2,-0.3 -0.385 54.6 179.8 -74.0 153.5 -3.8 -12.1 13.4 42 42 A W - 0 0 127 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.951 21.2-134.4-148.9 166.7 -0.1 -12.1 14.2 43 43 A K E -I 58 0B 42 15,-1.6 15,-2.7 -2,-0.3 2,-0.1 -0.971 29.3-111.3-124.2 139.6 2.7 -14.7 14.6 44 44 A P E +I 57 0B 107 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.459 43.0 170.5 -68.7 149.4 5.2 -14.7 17.4 45 45 A K E -I 56 0B 82 11,-2.1 11,-3.0 -2,-0.1 2,-0.4 -0.982 27.9-141.1-152.9 153.3 8.8 -13.9 16.5 46 46 A M E -I 55 0B 108 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.992 22.0-173.8-116.2 131.2 12.1 -13.1 18.2 47 47 A I E -I 54 0B 6 7,-2.4 7,-2.5 -2,-0.4 2,-0.3 -0.923 6.8-150.8-127.7 154.5 14.4 -10.4 16.8 48 48 A G E +I 53 0B 16 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.776 26.9 135.4-123.0 156.8 17.9 -9.4 17.9 49 49 A G E > -I 52 0B 12 3,-1.6 3,-1.5 -2,-0.3 153,-0.2 -0.851 66.3 -16.4-164.3-148.6 20.2 -6.6 18.0 50 50 A I T 3 S+ 0 0 11 151,-0.3 101,-2.0 -2,-0.3 102,-0.6 -0.411 130.4 19.4 -65.5 132.3 22.7 -5.1 20.5 51 51 A G T 3 S- 0 0 35 128,-0.4 2,-0.3 100,-0.2 -1,-0.2 0.142 122.5 -76.8 95.0 -21.8 22.0 -6.5 24.0 52 52 A G E < -I 49 0B 26 -3,-1.5 -3,-1.6 100,-0.2 2,-0.3 -0.907 64.6 -33.6 134.8-159.0 20.0 -9.5 22.9 53 53 A F E -I 48 0B 139 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.725 38.6-163.2-104.7 148.6 16.7 -10.7 21.6 54 54 A I E -I 47 0B 24 -7,-2.5 -7,-2.4 -2,-0.3 2,-0.4 -0.963 24.4-116.8-124.5 153.4 13.1 -9.5 22.3 55 55 A K E +I 46 0B 163 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.732 41.0 173.6 -84.3 131.4 9.8 -11.2 21.6 56 56 A V E -I 45 0B 6 -11,-3.0 -11,-2.1 -2,-0.4 2,-0.5 -0.894 32.8-117.7-136.3 163.5 7.5 -9.4 19.1 57 57 A R E -IJ 44 77B 43 20,-2.7 20,-2.7 -2,-0.3 2,-0.6 -0.918 26.9-142.7-105.3 127.1 4.3 -9.9 17.3 58 58 A Q E -IJ 43 76B 45 -15,-2.7 -15,-1.6 -2,-0.5 2,-0.4 -0.826 18.0-175.7 -98.3 118.5 4.5 -10.0 13.5 59 59 A Y E - J 0 75B 6 16,-2.8 16,-2.7 -2,-0.6 3,-0.3 -0.960 14.3-146.5-111.0 132.9 1.6 -8.4 11.6 60 60 A D E + 0 0 88 -2,-0.4 14,-0.1 -19,-0.3 13,-0.1 -0.600 66.0 11.4-101.1 159.7 1.6 -8.6 7.9 61 61 A Q E S+ 0 0 127 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.825 76.1 160.4 42.3 49.8 0.4 -6.3 5.1 62 62 A I E - J 0 73B 28 11,-2.4 11,-2.0 -3,-0.3 2,-0.2 -0.845 40.7-123.5 -94.0 126.5 -0.0 -3.3 7.4 63 63 A P E - J 0 72B 87 0, 0.0 -47,-0.5 0, 0.0 2,-0.4 -0.506 32.0-179.2 -66.5 136.1 -0.1 0.1 5.6 64 64 A V E - J 0 71B 4 7,-2.4 7,-1.4 -2,-0.2 2,-0.5 -0.967 12.9-156.4-137.9 120.2 2.5 2.5 7.0 65 65 A E E -EJ 14 70B 36 -51,-2.6 -51,-2.2 -2,-0.4 2,-0.5 -0.851 6.9-165.6-101.0 133.5 2.9 6.0 5.6 66 66 A I E > S-EJ 13 69B 0 3,-2.9 3,-2.7 -2,-0.5 -53,-0.2 -0.956 72.2 -30.6-124.8 111.8 6.3 7.7 6.1 67 67 A C T 3 S- 0 0 56 -55,-2.3 -1,-0.1 -2,-0.5 -54,-0.1 0.862 127.1 -47.6 41.0 43.5 6.5 11.5 5.5 68 68 A G T 3 S+ 0 0 51 1,-0.2 2,-0.6 -56,-0.2 -1,-0.3 0.379 114.2 119.0 85.9 -3.2 3.7 11.1 3.0 69 69 A H E < - J 0 66B 68 -3,-2.7 -3,-2.9 24,-0.0 -1,-0.2 -0.870 60.4-135.4 -97.8 120.7 5.2 8.2 1.2 70 70 A K E + J 0 65B 155 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.495 30.1 166.3 -81.4 142.0 3.0 5.1 1.4 71 71 A A E - 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