==== 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-AUG-06 2I4W . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR M.HATADA . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.6 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 . 25 12.6 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 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 3 1 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 0 103 0, 0.0 198,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-172.5 -1.5 40.2 19.6 2 2 A Q E -A 198 0A 121 196,-0.2 2,-0.5 197,-0.1 196,-0.2 -0.929 360.0-161.4-118.7 137.3 -0.9 37.0 21.6 3 3 A I E -A 197 0A 39 194,-3.3 194,-2.7 -2,-0.4 2,-0.1 -0.972 14.4-146.8-118.3 118.1 0.1 33.6 20.2 4 4 A T - 0 0 63 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.372 9.6-137.3 -79.9 165.7 -0.5 30.6 22.4 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.143 71.8 109.2-111.0 19.4 1.8 27.5 22.5 6 6 A W S S+ 0 0 173 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.851 93.8 20.9 -60.7 -35.9 -0.8 24.8 22.6 7 7 A Q S S- 0 0 137 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.808 113.3 -67.9-125.4 167.6 0.2 24.0 19.0 8 8 A R - 0 0 138 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.362 51.4-120.6 -57.8 125.9 3.3 24.8 17.0 9 9 A P + 0 0 5 0, 0.0 15,-2.6 0, 0.0 2,-0.2 -0.509 45.7 177.5 -73.3 81.3 3.5 28.6 16.5 10 10 A L E +D 23 0B 82 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.617 7.6 176.7 -89.8 146.4 3.5 28.6 12.7 11 11 A V E -D 22 0B 19 11,-2.6 11,-3.1 -2,-0.2 2,-0.6 -0.941 29.6-119.7-142.0 161.1 3.4 31.7 10.5 12 12 A T E -D 21 0B 70 -2,-0.3 55,-0.4 9,-0.2 2,-0.2 -0.931 31.8-169.0-107.3 120.6 3.6 32.5 6.8 13 13 A I E -D 20 0B 0 7,-2.8 7,-1.9 -2,-0.6 2,-0.5 -0.697 16.7-141.2-105.5 162.1 6.5 34.7 5.8 14 14 A K E +DE 19 65B 90 51,-1.4 51,-2.3 -2,-0.2 2,-0.4 -0.987 34.2 158.1-125.2 112.6 7.2 36.4 2.4 15 15 A I E > -DE 18 64B 2 3,-2.7 3,-2.1 -2,-0.5 49,-0.1 -0.995 63.9 -5.5-141.5 133.4 10.8 36.2 1.4 16 16 A G T 3 S- 0 0 57 47,-0.6 3,-0.1 -2,-0.4 21,-0.1 0.821 127.6 -58.8 54.7 32.4 12.5 36.6 -2.0 17 17 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.151 117.9 107.5 85.7 -19.9 9.0 36.7 -3.6 18 18 A Q E < -D 15 0B 79 -3,-2.1 -3,-2.7 1,-0.0 2,-0.4 -0.560 63.7-134.2 -92.3 157.1 8.1 33.3 -2.2 19 19 A L E +D 14 0B 117 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.902 28.1 178.0-108.9 134.7 5.7 32.4 0.6 20 20 A K E -D 13 0B 23 -7,-1.9 -7,-2.8 -2,-0.4 2,-0.5 -0.987 30.4-125.3-139.5 147.2 6.8 29.9 3.2 21 21 A E E +D 12 0B 99 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.800 41.7 176.7 -88.9 131.5 5.4 28.4 6.4 22 22 A A E -D 11 0B 1 -11,-3.1 -11,-2.6 -2,-0.5 2,-0.5 -0.942 29.7-116.8-138.7 161.3 7.8 28.9 9.3 23 23 A L E -Df 10 84B 11 60,-2.0 62,-3.2 -2,-0.3 2,-0.9 -0.862 21.0-131.7-103.6 122.8 8.1 28.2 13.0 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.1 -0.635 38.9-173.8 -70.3 106.7 8.5 31.1 15.5 25 25 A D > + 0 0 12 60,-2.7 3,-1.5 -2,-0.9 62,-0.3 -0.837 30.2 177.7-119.5 101.8 11.4 29.6 17.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.653 86.7 61.6 -70.4 -16.8 12.8 31.2 20.5 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.440 89.9 83.6 -87.9 -1.6 15.3 28.4 20.8 28 28 A A < - 0 0 14 -3,-1.5 59,-2.9 57,-0.2 60,-0.2 -0.914 60.4-162.3-106.0 123.8 16.9 29.3 17.5 29 29 A D S S+ 0 0 50 -2,-0.5 59,-1.7 57,-0.2 2,-0.3 0.924 79.8 28.8 -66.9 -42.3 19.5 32.0 17.4 30 30 A D S S- 0 0 46 57,-0.2 2,-0.4 56,-0.2 57,-0.1 -0.786 86.2-104.2-121.5 162.9 19.0 32.3 13.6 31 31 A T E -g 75 0B 0 43,-0.7 45,-2.6 -2,-0.3 2,-0.4 -0.672 37.5-169.4 -81.4 128.1 16.4 31.9 11.0 32 32 A V E -gH 76 84B 6 52,-1.9 52,-3.1 -2,-0.4 2,-0.3 -0.989 5.3-177.1-126.1 123.7 17.0 28.7 9.0 33 33 A L E -g 77 0B 0 43,-3.0 45,-2.5 -2,-0.4 47,-0.2 -0.886 30.2 -99.7-122.6 154.0 15.1 27.9 5.8 34 34 A E S S- 0 0 84 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.143 70.1 -55.4 -60.8 160.9 14.9 25.0 3.3 35 35 A E S S+ 0 0 108 43,-0.3 2,-0.3 42,-0.1 -1,-0.2 -0.095 78.0 140.5 -45.0 127.6 16.9 25.3 0.1 36 36 A M - 0 0 15 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.963 52.2 -96.5-162.9 161.8 16.0 28.4 -1.9 37 37 A S + 0 0 100 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.724 40.5 177.9 -91.4 134.4 17.7 31.0 -4.0 38 38 A L - 0 0 13 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.969 25.7-114.6-134.2 150.7 18.6 34.3 -2.4 39 39 A P S S+ 0 0 96 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.395 71.2 35.9 -81.2 162.5 20.4 37.4 -3.7 40 40 A G S S- 0 0 55 -2,-0.1 2,-0.1 19,-0.1 -2,-0.1 -0.202 95.2 -50.8 88.6 176.0 23.8 38.7 -2.6 41 41 A R - 0 0 205 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.476 54.6-158.5 -84.8 159.8 27.0 37.0 -1.5 42 42 A W - 0 0 121 -2,-0.1 17,-0.2 17,-0.1 -2,-0.0 -0.925 11.6-138.7-138.1 163.4 27.0 34.2 1.2 43 43 A K E -I 58 0B 74 15,-1.6 15,-3.0 -2,-0.3 2,-0.1 -0.969 27.2-116.9-124.6 135.5 29.3 32.5 3.6 44 44 A P E +I 57 0B 82 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.447 42.5 170.5 -69.9 147.1 29.4 28.8 4.3 45 45 A K E -I 56 0B 88 11,-2.1 11,-3.0 -2,-0.1 2,-0.5 -0.987 30.2-135.7-155.2 157.0 28.5 27.8 7.9 46 46 A M E -I 55 0B 111 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.983 20.8-172.5-120.0 125.2 27.7 24.8 10.1 47 47 A I E -I 54 0B 25 7,-2.2 7,-2.1 -2,-0.5 2,-0.3 -0.959 6.2-159.4-120.3 137.5 24.8 24.9 12.6 48 48 A G E +I 53 0B 41 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.819 24.2 135.3-117.6 158.2 24.0 22.3 15.1 49 49 A G E > -I 52 0B 21 3,-1.9 3,-1.9 -2,-0.3 2,-0.2 -0.774 66.7 -15.1-164.8-153.9 21.0 21.2 17.2 50 50 A I T 3 S+ 0 0 22 1,-0.3 101,-2.0 -2,-0.2 102,-0.7 -0.491 133.0 23.0 -65.9 127.3 19.3 17.9 18.1 51 51 A G T 3 S- 0 0 31 128,-0.5 2,-0.3 100,-0.3 -1,-0.3 0.234 122.1 -86.2 101.2 -13.6 20.7 15.2 15.8 52 52 A G E < -I 49 0B 27 -3,-1.9 -3,-1.9 100,-0.1 99,-0.2 -0.797 65.7 -28.8 117.8-157.8 23.9 17.1 14.9 53 53 A F E -I 48 0B 138 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.642 38.2-163.5-106.0 157.2 25.0 19.7 12.4 54 54 A I E -I 47 0B 20 -7,-2.1 -7,-2.2 -2,-0.2 2,-0.4 -0.979 26.2-117.7-135.3 144.5 23.9 20.7 8.9 55 55 A K E +I 46 0B 138 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.708 41.0 173.8 -83.6 132.8 25.9 22.8 6.4 56 56 A V E -I 45 0B 3 -11,-3.0 -11,-2.1 -2,-0.4 2,-0.5 -0.904 32.5-119.7-137.1 163.4 24.1 26.0 5.4 57 57 A R E -IJ 44 77B 52 20,-2.5 20,-2.5 -2,-0.3 2,-0.6 -0.922 28.5-140.1-106.1 128.1 24.7 29.2 3.4 58 58 A Q E -IJ 43 76B 44 -15,-3.0 -15,-1.6 -2,-0.5 2,-0.4 -0.815 20.0-177.8 -95.5 122.3 24.6 32.4 5.3 59 59 A Y E - J 0 75B 10 16,-2.7 16,-2.9 -2,-0.6 3,-0.3 -0.946 9.5-159.0-116.1 134.4 22.9 35.5 3.7 60 60 A D E + 0 0 59 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.0 -0.662 64.3 27.6-110.5 168.0 22.7 38.8 5.5 61 61 A Q E S+ 0 0 157 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.881 77.2 164.8 51.1 47.4 20.5 41.9 5.2 62 62 A I E - J 0 73B 13 11,-2.8 11,-1.8 -3,-0.3 2,-0.4 -0.828 34.5-132.9 -98.5 127.6 17.6 39.9 3.9 63 63 A L E + J 0 72B 101 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.663 30.7 174.0 -81.4 128.0 14.1 41.5 3.8 64 64 A I E -EJ 15 71B 1 7,-2.9 7,-2.3 -2,-0.4 2,-0.6 -0.998 24.3-143.1-135.5 137.0 11.4 39.3 5.2 65 65 A E E +EJ 14 70B 61 -51,-2.3 -51,-1.4 -2,-0.4 2,-0.4 -0.900 31.3 162.0-105.0 116.0 7.7 40.1 5.9 66 66 A I E > - J 0 69B 1 3,-1.8 3,-2.4 -2,-0.6 -53,-0.1 -1.000 61.6 -9.9-136.2 137.8 6.3 38.5 9.0 67 67 A C T 3 S- 0 0 38 -55,-0.4 3,-0.1 -2,-0.4 -1,-0.1 0.826 129.7 -49.8 46.9 40.7 3.2 39.2 11.1 68 68 A G T 3 S+ 0 0 68 1,-0.3 2,-0.3 -3,-0.0 -1,-0.3 0.483 117.9 107.1 81.6 2.7 2.6 42.5 9.3 69 69 A H E < - J 0 66B 73 -3,-2.4 -3,-1.8 2,-0.0 2,-0.7 -0.783 64.1-139.5-112.6 157.4 6.2 43.7 9.7 70 70 A K E + J 0 65B 134 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.2 -0.893 36.0 178.8-116.0 91.6 9.0 44.1 7.1 71 71 A A E - 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