==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-04 1TW7 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR P.MARTIN,J.F.VICKREY,G.PROTEASA,Y.L.JIMENEZ,Z.WAWRZAK, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 68.7 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 . 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 . 32 16.2 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 . 10 5.1 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 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 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 72 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 169.7 -3.7 34.2 -6.3 2 2 A Q E -A 198 0A 133 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.991 360.0-164.0-117.7 120.3 -3.4 34.0 -10.1 3 3 A I E -A 197 0A 31 194,-3.2 194,-2.3 -2,-0.5 2,-0.1 -0.928 5.1-151.8-113.2 119.1 -0.0 32.4 -11.0 4 4 A T - 0 0 78 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.352 14.6-132.1 -81.1 173.4 1.4 32.7 -14.4 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.087 73.1 107.0-121.1 25.1 3.7 30.0 -15.7 6 6 A W S S+ 0 0 168 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.754 92.5 31.1 -72.8 -21.0 6.7 31.8 -17.2 7 7 A Q S S- 0 0 156 -3,-0.3 0, 0.0 180,-0.0 0, 0.0 -0.839 110.4 -77.1-126.3 162.3 8.7 30.6 -14.1 8 8 A R - 0 0 145 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.412 48.5-119.8 -61.6 134.6 8.4 27.5 -12.0 9 9 A P + 0 0 6 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.459 46.6 168.9 -82.8 78.1 5.4 28.0 -9.7 10 10 A I E +D 23 0B 90 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.755 7.8 179.5 -92.1 130.2 7.2 27.6 -6.4 11 11 A V E -D 22 0B 15 11,-2.9 11,-2.4 -2,-0.4 2,-0.4 -0.875 30.0-106.7-129.3 163.5 5.2 28.6 -3.4 12 12 A T E -D 21 0B 66 -2,-0.3 55,-1.1 9,-0.2 2,-0.4 -0.746 34.8-171.3 -89.0 132.4 5.7 28.8 0.3 13 13 A I E -DE 20 66B 0 7,-3.3 7,-2.9 -2,-0.4 2,-0.5 -0.934 16.3-143.1-120.6 150.2 4.0 26.2 2.4 14 14 A K E +DE 19 65B 115 51,-2.8 51,-2.2 -2,-0.4 2,-0.3 -0.974 39.9 139.5-111.7 122.6 3.7 25.9 6.2 15 15 A I E > +D 18 0B 4 3,-2.3 3,-2.1 -2,-0.5 22,-0.1 -0.979 58.5 11.7-163.3 142.5 3.9 22.4 7.5 16 16 A G T 3 S- 0 0 39 47,-0.4 21,-0.3 -2,-0.3 3,-0.1 0.828 126.6 -62.6 56.7 29.8 5.4 20.5 10.5 17 17 A G T 3 S+ 0 0 86 1,-0.3 2,-0.3 19,-0.1 -1,-0.3 0.552 118.0 105.0 73.8 9.5 6.2 23.8 12.1 18 18 A Q E < S-D 15 0B 70 -3,-2.1 -3,-2.3 2,-0.0 2,-0.5 -0.859 70.2-129.0-117.7 155.1 8.5 24.7 9.2 19 19 A L E +D 14 0B 122 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.921 38.7 176.6 -96.5 127.8 8.3 27.0 6.2 20 20 A K E -D 13 0B 10 -7,-2.9 -7,-3.3 -2,-0.5 2,-0.4 -0.901 27.6-128.1-127.3 157.7 9.1 25.1 3.1 21 21 A E E +D 12 0B 104 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.899 33.1 171.1-102.0 141.9 9.2 25.8 -0.6 22 22 A A E -D 11 0B 3 -11,-2.4 -11,-2.9 -2,-0.4 2,-0.5 -0.994 32.8-113.9-152.8 152.9 7.5 23.5 -3.0 23 23 A L E -Df 10 84B 23 60,-2.4 62,-3.0 -2,-0.3 2,-0.8 -0.742 24.0-131.3 -85.1 123.4 6.5 23.3 -6.7 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.5 62,-0.2 -0.669 37.2-174.5 -70.2 110.7 2.8 23.4 -7.6 25 25 A N > - 0 0 22 60,-3.1 3,-1.9 -2,-0.8 62,-0.3 -0.856 28.0-179.2-125.4 99.4 2.9 20.4 -9.9 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.617 87.5 63.2 -72.1 -10.5 -0.3 19.5 -11.9 27 27 A G T 3 S+ 0 0 24 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.398 90.3 82.8 -88.9 2.2 1.7 16.5 -13.3 28 28 A A < - 0 0 19 -3,-1.9 59,-2.9 57,-0.2 60,-0.2 -0.923 59.3-163.6-110.3 127.4 2.0 15.0 -9.8 29 29 A D S S+ 0 0 55 -2,-0.5 59,-1.4 57,-0.2 2,-0.2 0.879 76.4 36.4 -69.6 -40.1 -0.7 13.0 -8.3 30 30 A D S S- 0 0 57 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.699 79.5-114.4-118.8 161.8 0.7 13.3 -4.8 31 31 A T - 0 0 1 43,-0.4 45,-2.8 -2,-0.2 2,-0.4 -0.857 32.6-177.3 -96.6 125.2 2.5 15.7 -2.5 32 32 A V E +gH 76 84B 16 52,-1.7 52,-2.6 -2,-0.5 2,-0.4 -0.992 2.5 177.4-129.5 122.6 6.0 14.7 -1.5 33 33 A L E -g 77 0B 0 43,-2.5 45,-1.8 -2,-0.4 2,-0.3 -0.969 17.2-142.1-125.5 143.6 8.2 16.7 0.9 34 34 A E S S+ 0 0 57 -2,-0.4 49,-0.1 43,-0.2 43,-0.0 -0.719 73.7 13.9 -95.9 151.7 11.7 16.1 2.2 35 35 A E S S+ 0 0 140 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.904 82.6 128.9 52.0 58.1 13.0 16.9 5.7 36 36 A V - 0 0 8 -3,-0.2 2,-0.7 2,-0.0 -1,-0.2 -0.993 48.9-143.1-134.0 140.2 9.8 17.5 7.6 37 37 A N - 0 0 127 -2,-0.4 -22,-0.0 -21,-0.3 0, 0.0 -0.923 21.6-177.6-106.2 114.3 8.9 15.8 10.9 38 38 A L - 0 0 9 -2,-0.7 2,-0.1 2,-0.1 -2,-0.0 -0.887 21.1-122.8-110.7 144.3 5.3 15.0 11.2 39 39 A P + 0 0 113 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.427 59.6 14.4 -83.1 157.6 3.8 13.4 14.3 40 40 A G S S- 0 0 62 -2,-0.1 -2,-0.1 19,-0.0 2,-0.0 -0.239 94.9 -8.6 89.1-166.6 1.8 10.2 14.7 41 41 A R + 0 0 217 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.313 55.8 167.7 -75.9 152.7 1.1 7.2 12.7 42 42 A W - 0 0 121 17,-0.1 17,-0.2 -2,-0.0 15,-0.0 -0.926 22.5-138.3-147.0 169.2 2.0 6.7 9.1 43 43 A K E -I 58 0B 107 15,-1.7 15,-3.3 -2,-0.3 13,-0.1 -0.992 29.3-103.4-132.0 151.0 2.2 3.8 6.6 44 44 A P E -I 57 0B 85 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.325 37.6-170.7 -66.5 149.7 4.8 3.0 4.0 45 45 A K E -I 56 0B 67 11,-2.4 11,-2.9 -2,-0.0 2,-0.5 -0.996 16.9-138.7-139.5 138.4 3.9 3.9 0.4 46 46 A L E +I 55 0B 102 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.881 29.0 174.8 -96.2 127.5 5.8 3.0 -2.8 47 47 A I E +I 54 0B 35 7,-2.8 7,-2.7 -2,-0.5 2,-0.4 -0.764 44.9 28.5-124.2 171.5 6.0 5.8 -5.4 48 48 A G E -I 53 0B 74 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.656 54.5-171.0 83.0-131.4 7.7 6.2 -8.8 49 49 A G E > +I 52 0B 23 3,-1.6 3,-1.7 -2,-0.4 2,-0.8 -0.018 44.2 114.2 132.4 -33.4 8.1 2.9 -10.5 50 50 A I T 3 S- 0 0 146 1,-0.3 -1,-0.3 0, 0.0 0, 0.0 -0.598 103.0 -2.1 -77.2 112.2 10.4 3.5 -13.5 51 51 A G T 3 S- 0 0 92 -2,-0.8 -1,-0.3 -3,-0.1 2,-0.2 0.435 142.1 -41.0 87.1 2.0 13.5 1.6 -12.7 52 52 A G E < S-I 49 0B 42 -3,-1.7 -3,-1.6 2,-0.0 2,-0.3 -0.669 75.7 -75.9 129.2 170.7 12.0 0.6 -9.4 53 53 A F E -I 48 0B 130 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.740 26.9-137.5-108.5 156.6 10.0 2.2 -6.6 54 54 A V E -I 47 0B 67 -7,-2.7 -7,-2.8 -2,-0.3 2,-0.5 -0.933 19.7-136.2-108.4 133.1 10.9 4.6 -3.8 55 55 A K E +I 46 0B 147 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.788 30.4 168.1 -91.6 132.2 9.5 4.0 -0.4 56 56 A V E -I 45 0B 5 -11,-2.9 -11,-2.4 -2,-0.5 2,-0.6 -0.830 38.1-102.5-129.9 171.4 8.1 7.0 1.5 57 57 A R E -IJ 44 77B 92 20,-2.4 20,-2.6 -2,-0.3 2,-0.6 -0.883 30.3-146.7 -99.6 125.1 6.0 7.6 4.6 58 58 A Q E -IJ 43 76B 27 -15,-3.3 -15,-1.7 -2,-0.6 2,-0.5 -0.819 14.5-172.5 -93.4 117.8 2.3 8.4 4.0 59 59 A Y E - J 0 75B 8 16,-2.5 16,-2.5 -2,-0.6 3,-0.4 -0.947 12.6-147.8-106.3 127.6 0.8 10.7 6.5 60 60 A D E + 0 0 78 -2,-0.5 14,-0.1 -19,-0.4 13,-0.1 -0.627 67.1 8.0 -97.2 154.0 -2.9 11.3 6.3 61 61 A Q E S+ 0 0 162 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.867 78.3 174.2 54.9 44.7 -5.0 14.4 7.1 62 62 A V E - J 0 73B 14 11,-2.4 11,-1.8 -3,-0.4 2,-0.4 -0.696 32.2-125.0 -84.7 131.1 -2.0 16.7 7.7 63 63 A P E + J 0 72B 100 0, 0.0 -47,-0.4 0, 0.0 2,-0.3 -0.618 41.5 166.1 -72.5 129.3 -2.8 20.4 8.3 64 64 A I E - J 0 71B 6 7,-2.6 7,-2.9 -2,-0.4 2,-0.5 -0.986 26.8-144.7-143.8 151.0 -0.8 22.4 5.8 65 65 A E E -EJ 14 70B 54 -51,-2.2 -51,-2.8 -2,-0.3 2,-0.4 -0.995 13.3-176.5-122.3 126.9 -1.1 26.1 4.7 66 66 A I E > S-EJ 13 69B 0 3,-2.5 3,-2.1 -2,-0.5 -53,-0.2 -0.995 72.3 -30.1-124.1 116.3 -0.4 27.2 1.1 67 67 A C T 3 S- 0 0 59 -55,-1.1 -1,-0.1 -2,-0.4 3,-0.1 0.894 128.7 -39.4 38.4 59.3 -0.5 31.0 0.4 68 68 A G T 3 S+ 0 0 63 1,-0.2 2,-0.7 -3,-0.0 -1,-0.3 0.369 114.1 115.8 85.0 -11.5 -3.0 31.8 3.1 69 69 A H E < - J 0 66B 68 -3,-2.1 -3,-2.5 2,-0.0 2,-0.6 -0.886 51.3-156.7-102.2 116.0 -5.2 28.7 2.6 70 70 A K E + J 0 65B 172 -2,-0.7 2,-0.2 -5,-0.2 -5,-0.2 -0.821 28.7 158.1 -89.6 118.3 -5.3 26.3 5.4 71 71 A V E - 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