==== 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 11-NOV-06 2J9K . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR E.MALITO,Y.SHEN,E.C.B.JOHNSON,W.J.TANG . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9970.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 36.7 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 . 19 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.0 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 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 80 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 172.0 3.2 6.7 -3.5 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.970 360.0-165.6-108.9 125.2 -0.6 6.1 -3.5 3 3 A I E -A 197 0A 32 194,-2.9 194,-2.5 -2,-0.5 2,-0.1 -0.956 5.3-154.2-120.5 120.0 -1.7 3.0 -1.6 4 4 A T - 0 0 76 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.350 17.7-127.7 -85.1 174.2 -5.1 1.4 -1.9 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.175 75.4 105.3-121.0 17.0 -6.6 -0.7 0.9 6 6 A W S S+ 0 0 177 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.818 94.1 31.7 -62.9 -30.8 -7.7 -4.0 -0.7 7 7 A K S S- 0 0 172 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.805 111.1 -79.8-115.8 161.2 -4.6 -5.6 0.9 8 8 A R - 0 0 112 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.424 47.5-116.3 -57.4 135.0 -2.9 -4.7 4.2 9 9 A P + 0 0 5 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.458 52.8 165.0 -80.2 70.6 -0.7 -1.6 3.6 10 10 A L E +D 23 0B 67 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.742 7.4 171.8 -90.0 134.3 2.6 -3.3 4.4 11 11 A V E -D 22 0B 21 11,-2.5 11,-2.7 -2,-0.4 2,-0.4 -0.914 34.9-101.6-134.6 165.1 5.8 -1.7 3.4 12 12 A T E -D 21 0B 83 -2,-0.3 55,-2.0 9,-0.2 2,-0.3 -0.723 38.3-172.8 -89.3 136.5 9.5 -2.3 3.9 13 13 A I E -DE 20 66B 1 7,-3.1 7,-2.4 -2,-0.4 2,-0.5 -0.884 19.9-137.3-121.5 160.0 11.2 -0.2 6.5 14 14 A R E +DE 19 65B 110 51,-2.0 51,-2.5 -2,-0.3 2,-0.3 -0.990 32.5 161.1-112.1 126.3 14.9 0.3 7.5 15 15 A I E > -DE 18 64B 3 3,-2.6 3,-2.3 -2,-0.5 49,-0.1 -0.986 67.5 -5.1-147.9 128.3 15.5 0.5 11.3 16 16 A G T 3 S- 0 0 55 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.792 128.4 -58.6 64.2 23.4 18.8 0.0 13.1 17 17 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.260 117.6 107.1 84.6 -7.3 20.4 -1.0 9.9 18 18 A Q E < -D 15 0B 126 -3,-2.3 -3,-2.6 1,-0.0 2,-0.4 -0.731 67.9-124.5-108.0 150.5 18.0 -3.9 9.4 19 19 A L E +D 14 0B 119 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.747 35.6 168.2 -88.7 138.8 15.1 -4.3 7.0 20 20 A K E -D 13 0B 55 -7,-2.4 -7,-3.1 -2,-0.4 2,-0.4 -0.953 32.4-120.0-141.7 161.3 11.6 -5.1 8.4 21 21 A E E +D 12 0B 112 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.879 35.7 176.8-100.6 139.8 8.1 -5.2 7.2 22 22 A A E -D 11 0B 0 -11,-2.7 -11,-2.5 -2,-0.4 2,-0.5 -0.992 28.7-120.2-147.8 153.6 5.5 -2.9 8.8 23 23 A L E -Df 10 84B 6 60,-3.1 62,-2.8 -2,-0.3 2,-0.7 -0.775 24.0-129.8 -94.6 124.9 1.9 -1.9 8.5 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.2 -0.693 35.2-172.5 -73.8 112.7 1.0 1.7 7.8 25 25 A D > + 0 0 0 60,-2.9 3,-1.8 -2,-0.7 62,-0.3 -0.847 27.9 179.1-125.1 97.2 -1.6 2.3 10.5 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.697 87.0 63.4 -66.0 -21.0 -3.6 5.5 10.7 27 27 A G T 3 S+ 0 0 19 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.306 88.6 84.7 -84.2 4.9 -5.4 4.0 13.8 28 28 A A < - 0 0 11 -3,-1.8 59,-3.0 57,-0.2 60,-0.2 -0.935 58.1-163.2-109.1 128.0 -2.1 3.9 15.8 29 29 A D S S+ 0 0 53 -2,-0.5 59,-1.4 57,-0.2 2,-0.2 0.886 79.2 29.7 -67.0 -39.8 -0.9 7.0 17.7 30 30 A D S S- 0 0 50 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.655 84.9-104.2-120.8 171.1 2.6 5.5 18.0 31 31 A T - 0 0 0 43,-0.4 45,-2.8 -2,-0.2 2,-0.4 -0.866 34.6-171.7-104.3 127.3 5.0 3.1 16.1 32 32 A V E -gH 76 84B 4 52,-1.9 52,-3.2 -2,-0.5 2,-0.3 -0.987 1.9-173.6-131.1 119.9 5.3 -0.3 17.6 33 33 A I E -g 77 0B 1 43,-3.2 45,-2.5 -2,-0.4 47,-0.2 -0.870 32.4 -96.8-114.2 147.3 7.9 -2.9 16.5 34 34 A E - 0 0 82 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.137 65.9 -63.0 -54.3 155.0 8.3 -6.5 17.5 35 35 A E S S+ 0 0 145 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.194 82.6 123.7 -51.9 128.5 10.8 -7.4 20.2 36 36 A X - 0 0 36 -3,-0.1 2,-0.3 2,-0.0 -3,-0.1 -0.909 59.2 -88.7-170.5 167.6 14.3 -6.5 19.1 37 37 A N - 0 0 131 -2,-0.3 0, 0.0 -21,-0.0 0, 0.0 -0.737 35.2-175.0 -93.7 145.9 17.3 -4.5 20.2 38 38 A L - 0 0 11 -2,-0.3 39,-0.0 2,-0.2 -2,-0.0 -0.978 34.0 -96.7-134.7 146.9 17.7 -0.9 19.3 39 39 A P S S+ 0 0 99 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.320 83.0 17.3 -63.1 144.4 20.7 1.3 20.0 40 40 A G S S- 0 0 62 19,-0.1 2,-0.2 2,-0.0 -2,-0.2 -0.337 94.5 -36.5 97.5-171.7 20.4 3.5 23.0 41 41 A X - 0 0 177 -2,-0.1 19,-0.6 19,-0.1 2,-0.3 -0.537 47.4-174.8 -97.7 162.6 18.4 3.8 26.1 42 42 A W E -I 59 0B 106 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.936 13.1-145.5-140.4 167.3 14.8 3.1 26.7 43 43 A K E -I 58 0B 117 15,-1.6 15,-2.9 -2,-0.3 2,-0.1 -0.968 32.8 -98.3-135.4 151.7 12.2 3.4 29.4 44 44 A P E +I 57 0B 103 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.382 47.2 165.3 -67.3 145.4 9.2 1.2 30.2 45 45 A K E -I 56 0B 74 11,-2.1 11,-2.7 -2,-0.1 2,-0.4 -0.951 26.8-135.6-147.5 162.1 5.8 2.3 28.9 46 46 A X E -I 55 0B 111 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.981 20.7-178.5-123.6 143.0 2.4 0.7 28.5 47 47 A I E -I 54 0B 15 7,-2.2 7,-2.5 -2,-0.4 2,-0.3 -0.931 13.9-136.6-135.1 160.1 0.1 1.0 25.4 48 48 A G E +I 53 0B 42 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.842 21.2 164.8-124.8 155.4 -3.3 -0.3 24.5 49 49 A G E > -I 52 0B 30 3,-2.3 3,-0.9 -2,-0.3 102,-0.1 -0.679 59.9 -56.4-143.1-162.2 -5.0 -1.8 21.6 50 50 A I T 3 S+ 0 0 14 1,-0.2 101,-0.2 -2,-0.2 3,-0.1 0.789 133.6 39.4 -59.8 -33.9 -8.2 -3.7 20.7 51 51 A G T 3 S- 0 0 23 99,-2.5 2,-0.3 1,-0.3 100,-0.3 0.528 121.0 -90.6 -97.2 -4.8 -7.5 -6.4 23.3 52 52 A G E < -I 49 0B 24 -3,-0.9 -3,-2.3 98,-0.7 -1,-0.3 -0.944 63.2 -25.3 127.9-154.2 -6.1 -4.4 26.2 53 53 A F E -I 48 0B 153 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.709 42.9-173.5-107.4 147.5 -2.7 -3.2 27.3 54 54 A I E -I 47 0B 24 -7,-2.5 -7,-2.2 -2,-0.3 2,-0.4 -0.937 27.3-113.5-131.8 156.8 0.9 -4.4 26.8 55 55 A K E +I 46 0B 162 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.754 40.1 173.9 -86.5 136.3 4.3 -3.4 28.2 56 56 A V E -I 45 0B 8 -11,-2.7 -11,-2.1 -2,-0.4 2,-0.5 -0.892 33.9-113.8-135.5 166.8 6.8 -1.9 25.7 57 57 A R E -IJ 44 77B 95 20,-2.6 20,-2.5 -2,-0.3 2,-0.7 -0.906 30.0-143.7 -99.3 125.2 10.2 -0.4 25.6 58 58 A Q E -IJ 43 76B 29 -15,-2.9 -15,-1.6 -2,-0.5 2,-0.4 -0.856 18.5-177.0 -96.0 113.8 10.2 3.3 24.6 59 59 A Y E -IJ 42 75B 4 16,-2.7 16,-2.5 -2,-0.7 3,-0.3 -0.906 13.5-148.9-104.9 131.2 13.1 4.4 22.4 60 60 A D E + 0 0 76 -19,-0.6 14,-0.2 -2,-0.4 -19,-0.1 -0.701 66.1 11.3-101.0 155.5 13.3 8.1 21.5 61 61 A Q E S+ 0 0 137 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.877 75.8 164.7 55.5 50.0 14.7 9.7 18.4 62 62 A I E - J 0 73B 14 11,-2.8 11,-2.2 -3,-0.3 2,-0.3 -0.852 36.1-127.2 -97.1 124.4 15.2 6.6 16.3 63 63 A P E + J 0 72B 85 0, 0.0 -47,-0.6 0, 0.0 2,-0.4 -0.562 31.8 177.5 -68.5 132.1 15.7 7.0 12.6 64 64 A V E -EJ 15 71B 4 7,-2.7 7,-1.9 -2,-0.3 2,-0.6 -0.996 20.3-150.6-135.3 130.9 13.3 4.9 10.5 65 65 A E E -EJ 14 70B 55 -51,-2.5 -51,-2.0 -2,-0.4 2,-0.6 -0.912 15.2-165.9-103.5 121.1 13.2 4.9 6.6 66 66 A I E > -EJ 13 69B 0 3,-3.3 3,-2.3 -2,-0.6 -53,-0.2 -0.941 69.1 -32.5-116.9 109.1 9.7 4.1 5.5 67 67 A X T 3 S- 0 0 47 -55,-2.0 -1,-0.2 -2,-0.6 -54,-0.1 0.884 128.3 -44.2 43.1 44.5 9.3 3.1 1.8 68 68 A G T 3 S+ 0 0 52 1,-0.2 2,-0.4 -56,-0.2 -1,-0.3 0.383 117.5 112.8 90.7 -3.4 12.2 5.5 1.0 69 69 A H E < - J 0 66B 65 -3,-2.3 -3,-3.3 1,-0.0 2,-0.2 -0.871 62.3-127.6-107.1 136.0 11.0 8.4 3.2 70 70 A K E + J 0 65B 178 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.539 30.1 167.6 -86.3 141.3 13.0 9.4 6.4 71 71 A A E - J 0 64B 3 -7,-1.9 -7,-2.7 -2,-0.2 2,-0.4 -0.964 15.9-164.8-140.1 156.1 11.5 9.8 9.8 72 72 A I E + J 0 63B 88 -2,-0.3 2,-0.3 -9,-0.3 -11,-0.1 -0.922 43.0 95.4-141.6 113.9 13.2 10.2 13.2 73 73 A G E - 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