==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JAN-08 3BXR . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.D.TYNDALL,L.K.PATTENDEN,R.C.REID,S.H.HU,D.ALEWOOD, . 199 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9537.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 36.2 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 . 24 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.5 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 2 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 0 PARALLEL BRIDGES PER LADDER . 2 2 3 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 80 0, 0.0 198,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 167.4 -2.9 6.4 34.4 2 2 A Q E -A 198 0A 134 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.980 360.0-162.7-114.1 124.3 0.9 5.9 34.3 3 3 A I E -A 197 0A 33 194,-3.0 194,-2.2 -2,-0.5 2,-0.1 -0.940 5.3-152.3-116.3 123.7 1.9 2.8 32.4 4 4 A T - 0 0 75 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.381 16.4-129.8 -83.7 171.9 5.3 1.1 32.6 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.091 72.6 108.8-117.4 25.7 6.7 -0.9 29.7 6 6 A W S S+ 0 0 177 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.787 93.7 30.9 -69.0 -25.1 7.9 -4.3 31.1 7 7 A K S S- 0 0 168 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.823 110.6 -77.3-125.5 165.5 4.9 -5.7 29.3 8 8 A R - 0 0 110 -2,-0.3 2,-2.3 1,-0.1 119,-0.1 -0.431 48.8-118.7 -61.7 133.8 3.1 -4.7 26.1 9 9 A P + 0 0 5 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.452 50.6 166.4 -77.4 74.4 0.9 -1.7 27.0 10 10 A L E +D 23 0B 79 -2,-2.3 2,-0.3 13,-0.2 13,-0.2 -0.724 7.3 174.0 -91.6 139.3 -2.4 -3.3 26.1 11 11 A V E -D 22 0B 18 11,-2.4 11,-2.8 -2,-0.4 2,-0.4 -0.946 34.3-102.2-139.7 160.6 -5.6 -1.7 27.2 12 12 A T E -D 21 0B 60 -2,-0.3 55,-2.1 9,-0.2 2,-0.3 -0.687 39.3-177.4 -87.1 136.2 -9.3 -2.3 26.7 13 13 A I E -DE 20 66B 3 7,-3.2 7,-2.1 -2,-0.4 2,-0.4 -0.841 20.7-140.4-125.2 162.4 -11.1 -0.1 24.2 14 14 A R E +DE 19 65B 111 51,-1.8 51,-2.2 -2,-0.3 2,-0.4 -0.999 28.4 166.2-124.1 128.3 -14.7 0.1 23.1 15 15 A I E > -DE 18 64B 2 3,-2.7 3,-2.3 -2,-0.4 49,-0.1 -0.988 68.8 -0.7-144.2 131.3 -15.3 0.8 19.3 16 16 A G T 3 S- 0 0 55 47,-0.7 3,-0.1 -2,-0.4 48,-0.1 0.755 131.1 -60.4 61.8 21.1 -18.5 0.4 17.4 17 17 A G T 3 S+ 0 0 59 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.368 116.6 109.4 87.9 -4.4 -20.1 -0.7 20.7 18 18 A Q E < -D 15 0B 98 -3,-2.3 -3,-2.7 0, 0.0 2,-0.3 -0.776 65.8-123.4-108.7 150.8 -17.7 -3.7 21.1 19 19 A L E +D 14 0B 115 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.718 34.9 164.6 -93.0 140.4 -14.8 -4.3 23.5 20 20 A K E -D 13 0B 28 -7,-2.1 -7,-3.2 -2,-0.3 2,-0.4 -0.970 36.1-118.5-148.1 157.9 -11.3 -5.1 22.2 21 21 A E E -D 12 0B 97 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.860 38.8-179.7 -99.2 135.0 -7.8 -5.2 23.5 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.4 -2,-0.4 2,-0.5 -0.990 27.2-118.1-141.2 151.7 -5.4 -2.8 21.8 23 23 A L E -Df 10 84B 2 60,-3.1 62,-3.0 -2,-0.3 2,-0.9 -0.725 20.7-133.2 -90.5 123.1 -1.7 -1.8 22.0 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.5 62,-0.1 -0.668 35.0-172.3 -75.5 108.9 -0.8 1.9 22.8 25 25 A N > + 0 0 1 60,-2.7 3,-1.5 -2,-0.9 62,-0.3 -0.852 28.2 177.3-116.4 97.8 1.7 2.4 20.1 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.604 85.2 65.5 -71.1 -10.9 3.8 5.5 20.0 27 27 A G T 3 S+ 0 0 9 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.225 88.4 83.9 -93.1 12.4 5.6 4.1 17.0 28 28 A A < - 0 0 0 -3,-1.5 59,-3.1 173,-0.3 60,-0.2 -0.964 55.8-165.3-121.2 127.4 2.4 4.2 14.9 29 29 A D S S+ 0 0 45 -2,-0.5 59,-1.1 57,-0.2 2,-0.2 0.882 81.3 37.4 -70.8 -36.5 1.2 7.3 13.0 30 30 A D S S- 0 0 42 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.686 81.4-114.4-117.0 167.1 -2.2 5.6 12.6 31 31 A T - 0 0 2 43,-0.4 45,-2.8 -2,-0.2 2,-0.5 -0.865 31.6-173.3-101.6 126.8 -4.7 3.4 14.4 32 32 A V E -gH 76 84B 2 52,-1.4 52,-3.2 -2,-0.5 2,-0.3 -0.981 1.7-171.1-127.9 123.1 -5.2 -0.0 12.9 33 33 A I E -g 77 0B 1 43,-3.3 45,-2.3 -2,-0.5 3,-0.2 -0.872 31.3 -99.5-115.2 144.8 -7.8 -2.5 14.2 34 34 A E - 0 0 74 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.101 64.8 -64.3 -54.4 156.9 -8.3 -6.2 13.2 35 35 A E S S+ 0 0 146 43,-0.4 2,-0.3 45,-0.1 -1,-0.2 -0.149 79.2 136.7 -49.6 129.4 -11.0 -7.0 10.6 36 36 A M - 0 0 27 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.966 56.5 -89.6-164.6 167.5 -14.4 -6.1 12.0 37 37 A N + 0 0 148 -2,-0.3 0, 0.0 -21,-0.0 0, 0.0 -0.719 43.3 178.6 -88.9 139.8 -17.7 -4.5 11.0 38 38 A L - 0 0 13 -2,-0.4 -2,-0.0 2,-0.2 39,-0.0 -0.996 30.7-106.3-143.9 136.6 -17.9 -0.8 11.6 39 39 A P S S+ 0 0 96 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.241 77.9 27.6 -60.7 145.9 -20.7 1.7 10.8 40 40 A G S S- 0 0 66 19,-0.1 2,-0.3 2,-0.0 -2,-0.2 -0.366 95.7 -47.3 99.9-179.2 -20.4 4.1 7.9 41 41 A K - 0 0 97 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.733 50.3-158.6 -95.7 142.8 -18.5 4.2 4.6 42 42 A W - 0 0 106 -2,-0.3 17,-0.2 17,-0.1 34,-0.0 -0.841 8.2-139.2-119.6 158.1 -14.9 3.3 4.3 43 43 A K E -I 58 0B 46 15,-2.0 15,-3.2 -2,-0.3 2,-0.2 -0.936 27.6-111.6-116.0 137.2 -12.2 4.2 1.7 44 44 A P E +I 57 0B 110 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.492 49.4 161.8 -68.3 134.5 -9.6 1.6 0.5 45 45 A K E -I 56 0B 75 11,-2.4 11,-2.9 -2,-0.2 2,-0.4 -0.919 31.9-134.5-144.8 168.7 -6.1 2.5 1.7 46 46 A M E -I 55 0B 104 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.992 18.9-173.5-129.0 139.7 -2.7 1.0 2.2 47 47 A I E -I 54 0B 9 7,-2.1 7,-2.3 -2,-0.4 2,-0.2 -0.977 7.7-154.2-133.0 146.0 -0.5 1.4 5.3 48 48 A G E +I 53 0B 17 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.678 25.0 136.7-119.6 172.9 3.1 0.2 5.9 49 49 A G E > -I 52 0B 23 3,-1.2 3,-1.8 -2,-0.2 2,-0.2 -0.891 67.2 -17.8-178.5-156.5 5.5 -0.7 8.6 50 50 A I T 3 S+ 0 0 14 151,-0.5 101,-1.9 -2,-0.3 102,-0.7 -0.509 131.8 27.4 -67.7 133.7 8.1 -3.4 9.3 51 51 A G T 3 S- 0 0 31 100,-0.2 2,-0.3 -2,-0.2 -1,-0.3 0.267 121.3 -90.7 98.5 -13.9 7.4 -6.3 6.8 52 52 A G E < -I 49 0B 28 -3,-1.8 -3,-1.2 100,-0.1 99,-0.3 -0.780 64.1 -25.6 114.3-156.9 5.8 -4.0 4.2 53 53 A F E -I 48 0B 144 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.687 41.4-168.2-104.6 155.7 2.3 -2.8 3.3 54 54 A I E -I 47 0B 20 -7,-2.3 -7,-2.1 -2,-0.3 2,-0.4 -0.929 27.1-113.1-134.1 157.2 -1.2 -4.1 3.9 55 55 A K E +I 46 0B 153 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.791 41.0 175.2 -92.8 135.7 -4.5 -3.1 2.5 56 56 A V E -I 45 0B 7 -11,-2.9 -11,-2.4 -2,-0.4 2,-0.6 -0.854 34.0-116.1-135.3 168.8 -7.0 -1.6 5.0 57 57 A R E -IJ 44 77B 112 20,-2.5 20,-2.5 -2,-0.3 2,-0.7 -0.945 30.7-143.7-107.6 119.5 -10.4 0.0 5.1 58 58 A Q E -IJ 43 76B 42 -15,-3.2 -15,-2.0 -2,-0.6 2,-0.4 -0.767 18.1-176.1 -91.0 117.0 -10.2 3.6 6.3 59 59 A Y E - J 0 75B 10 16,-2.7 16,-2.7 -2,-0.7 3,-0.3 -0.920 13.5-148.4-108.5 133.5 -13.1 4.8 8.5 60 60 A D E + 0 0 92 -19,-0.5 14,-0.2 -2,-0.4 13,-0.1 -0.701 67.0 10.8-104.4 156.2 -13.2 8.5 9.5 61 61 A Q E S+ 0 0 159 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.868 77.5 166.1 49.4 50.1 -14.5 10.1 12.7 62 62 A I E - J 0 73B 17 11,-2.8 11,-2.0 -3,-0.3 2,-0.2 -0.827 35.9-125.9 -97.3 126.3 -15.0 6.9 14.6 63 63 A P E + J 0 72B 83 0, 0.0 -47,-0.7 0, 0.0 2,-0.4 -0.526 32.4 177.2 -71.4 134.5 -15.6 7.2 18.4 64 64 A V E -EJ 15 71B 7 7,-3.1 7,-1.4 -2,-0.2 2,-0.6 -0.977 19.5-152.9-140.0 122.2 -13.2 5.0 20.4 65 65 A E E -EJ 14 70B 48 -51,-2.2 -51,-1.8 -2,-0.4 2,-0.7 -0.878 13.6-162.3 -97.7 121.4 -13.1 5.0 24.2 66 66 A I E > -EJ 13 69B 0 3,-3.4 3,-2.3 -2,-0.6 -53,-0.2 -0.903 67.9 -38.5-111.3 108.1 -9.5 4.1 25.3 67 67 A X T 3 S- 0 0 48 -55,-2.1 -1,-0.2 -2,-0.7 -54,-0.1 0.898 127.8 -38.5 40.8 52.6 -9.4 2.9 28.9 68 68 A G T 3 S+ 0 0 50 1,-0.2 2,-0.4 -56,-0.2 -1,-0.3 0.332 118.2 107.8 88.2 -8.0 -12.0 5.5 29.9 69 69 A H E < - 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