==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-NOV-08 3F7M . COMPND 2 MOLECULE: ALKALINE SERINE PROTEASE VER112; . SOURCE 2 ORGANISM_SCIENTIFIC: LECANICILLIUM PSALLIOTAE; . AUTHOR L.LIANG,Z.LOU,F.YE,Z.MENG,Z.RAO,K.ZHANG . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10018.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.1 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 20 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 20.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 1 0 1 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 2 1 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 PARALLEL BRIDGES PER LADDER . 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 0 0 1 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 1 104 A I 0 0 117 0, 0.0 26,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 121.2 31.9 29.2 38.5 2 105 A T E -A 26 0A 57 24,-3.1 24,-2.1 22,-0.0 2,-0.5 -0.733 360.0-133.0-115.4 167.6 34.3 32.0 37.6 3 106 A Q E -A 25 0A 106 -2,-0.2 2,-0.8 22,-0.2 22,-0.2 -0.950 3.3-153.9-128.8 113.7 34.3 35.7 38.2 4 107 A Q E > -A 24 0A 36 20,-3.0 20,-2.1 -2,-0.5 3,-0.8 -0.754 27.2-140.1 -83.3 111.6 35.1 38.4 35.6 5 108 A Q T 3 S+ 0 0 117 -2,-0.8 18,-0.2 1,-0.2 -1,-0.0 -0.426 76.1 9.6 -74.6 147.8 36.4 41.3 37.7 6 109 A G T 3 S+ 0 0 68 16,-0.4 -1,-0.2 1,-0.2 17,-0.2 0.825 88.1 170.4 55.9 37.4 35.3 44.9 36.8 7 110 A A < - 0 0 13 15,-1.4 -1,-0.2 -3,-0.8 76,-0.1 -0.377 43.0 -84.7 -78.6 158.3 32.7 43.7 34.3 8 111 A T >> - 0 0 21 74,-0.4 4,-1.5 1,-0.1 3,-1.0 -0.263 46.7-107.5 -60.0 147.2 30.2 46.0 32.7 9 112 A W H 3> S+ 0 0 45 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.797 112.6 60.7 -49.5 -42.8 27.1 46.6 34.8 10 113 A G H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.900 108.3 45.3 -54.4 -42.1 24.6 44.6 32.7 11 114 A L H <> S+ 0 0 1 -3,-1.0 4,-0.6 2,-0.2 14,-0.3 0.888 112.1 51.2 -69.7 -39.3 26.6 41.4 33.3 12 115 A T H >< S+ 0 0 16 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.935 109.4 52.4 -63.9 -41.9 27.1 42.1 37.0 13 116 A R H >< S+ 0 0 5 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.877 106.1 50.1 -63.6 -41.5 23.3 42.6 37.4 14 117 A I H 3< S+ 0 0 0 -4,-1.7 262,-2.4 1,-0.2 263,-0.3 0.572 109.6 53.4 -76.7 -5.6 22.2 39.4 35.8 15 118 A S T << S+ 0 0 0 -3,-0.9 2,-0.3 -4,-0.6 -1,-0.2 0.244 107.0 53.8-110.7 12.2 24.6 37.3 38.0 16 119 A H < - 0 0 32 -3,-1.1 242,-0.1 -4,-0.1 4,-0.1 -0.997 69.2-137.3-146.4 145.9 23.5 38.7 41.4 17 120 A R S S+ 0 0 121 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.869 92.9 36.2 -68.5 -37.0 20.2 39.0 43.2 18 121 A A S S- 0 0 67 1,-0.1 3,-0.5 -3,-0.1 -1,-0.1 -0.853 88.9-104.5-121.1 154.7 21.1 42.5 44.4 19 122 A R S S+ 0 0 126 -2,-0.3 -1,-0.1 1,-0.2 168,-0.1 -0.208 84.9 77.2 -64.3 163.5 22.9 45.5 42.9 20 123 A G + 0 0 74 1,-0.4 2,-0.2 -4,-0.1 -1,-0.2 0.164 57.9 118.0 121.2 -21.2 26.4 46.2 44.2 21 124 A S - 0 0 36 -3,-0.5 -1,-0.4 1,-0.1 -9,-0.1 -0.532 41.4-166.1 -84.6 150.6 28.7 43.7 42.5 22 125 A T + 0 0 97 -2,-0.2 -15,-1.4 -10,-0.1 -16,-0.4 0.287 69.2 74.6-110.5 2.9 31.5 44.7 40.3 23 126 A A S S- 0 0 0 -17,-0.2 2,-0.6 -18,-0.2 -18,-0.2 -0.834 72.6-132.1-121.5 156.7 32.0 41.2 38.9 24 127 A Y E -A 4 0A 0 -20,-2.1 -20,-3.0 -2,-0.3 2,-0.5 -0.934 24.0-160.6-107.0 114.8 30.2 38.9 36.5 25 128 A A E +A 3 0A 7 -2,-0.6 2,-0.3 -14,-0.3 253,-0.2 -0.839 25.7 146.6 -97.9 129.6 29.8 35.4 38.0 26 129 A Y E -A 2 0A 35 -24,-2.1 -24,-3.1 -2,-0.5 2,-0.2 -0.993 50.1 -94.3-159.2 155.6 29.2 32.6 35.5 27 130 A D > - 0 0 38 -2,-0.3 3,-2.3 -26,-0.3 4,-0.1 -0.528 35.9-123.4 -74.5 138.0 29.8 28.9 34.9 28 131 A T T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.663 103.2 81.5 -54.9 -19.9 32.9 28.2 32.7 29 132 A S T > S- 0 0 30 1,-0.1 3,-2.8 2,-0.1 -1,-0.3 0.841 74.5-175.1 -55.2 -30.8 30.7 26.2 30.3 30 133 A A T < - 0 0 1 -3,-2.3 58,-2.6 1,-0.3 59,-0.5 0.691 64.1 -59.3 40.7 36.7 29.9 29.8 29.0 31 134 A G T > S+ 0 0 0 206,-0.4 3,-1.9 1,-0.2 59,-0.3 0.615 83.7 167.0 75.8 10.6 27.3 28.7 26.4 32 135 A A T < + 0 0 39 -3,-2.8 -1,-0.2 1,-0.3 57,-0.2 -0.339 65.6 27.2 -59.4 137.2 29.8 26.5 24.5 33 136 A G T 3 S+ 0 0 26 55,-0.4 93,-2.8 1,-0.4 94,-0.8 0.356 102.6 102.1 92.1 -7.9 27.9 24.2 22.1 34 137 A A E < -b 127 0B 0 -3,-1.9 56,-1.9 92,-0.2 -1,-0.4 -0.699 59.1-145.0-106.2 161.6 25.0 26.7 21.7 35 138 A a E -bc 128 90B 2 92,-2.2 94,-3.0 -2,-0.2 2,-0.5 -0.989 7.8-165.0-130.9 138.9 24.4 29.0 18.8 36 139 A V E -bc 129 91B 0 54,-2.6 56,-2.5 -2,-0.4 2,-0.5 -0.980 6.8-156.0-127.6 122.8 22.9 32.5 18.8 37 140 A Y E -bc 130 92B 0 92,-3.1 94,-3.3 -2,-0.5 2,-0.7 -0.833 7.4-152.5 -96.7 129.6 21.6 34.3 15.6 38 141 A V E -bc 131 93B 0 54,-3.0 56,-2.7 -2,-0.5 2,-1.0 -0.897 5.1-165.4-105.8 109.4 21.6 38.1 15.6 39 142 A I E +bc 132 94B 2 92,-2.1 94,-0.6 -2,-0.7 2,-0.2 -0.826 53.5 85.8 -95.0 102.5 18.9 39.5 13.3 40 143 A D E S- c 0 95B 0 54,-2.0 56,-2.7 -2,-1.0 57,-1.5 -0.616 98.9 -33.9-162.7-141.3 19.9 43.1 13.0 41 144 A T S S- 0 0 1 1,-0.3 26,-0.4 54,-0.2 27,-0.2 0.310 99.7 -91.9 -83.9 8.4 22.2 45.4 11.0 42 145 A G - 0 0 0 52,-0.4 2,-0.4 -4,-0.2 -1,-0.3 -0.440 39.1 -92.7 106.3 175.7 24.8 42.6 10.8 43 146 A V - 0 0 2 -2,-0.2 2,-1.9 28,-0.1 50,-0.2 -0.988 20.0-132.5-135.7 124.0 27.7 41.6 13.0 44 147 A E > - 0 0 37 -2,-0.4 3,-2.0 1,-0.2 172,-0.1 -0.574 27.1-174.9 -74.1 87.9 31.3 42.8 12.4 45 148 A D T 3 S+ 0 0 57 -2,-1.9 9,-0.3 1,-0.3 7,-0.2 0.458 73.6 70.3 -67.6 0.6 32.7 39.3 12.8 46 149 A T T 3 + 0 0 105 5,-0.1 -1,-0.3 6,-0.0 -2,-0.1 0.463 66.1 121.0 -95.2 -2.9 36.2 40.7 12.5 47 150 A H X - 0 0 12 -3,-2.0 3,-1.9 1,-0.2 5,-0.5 -0.445 66.2-135.2 -62.8 127.6 36.0 42.4 15.9 48 151 A P G > S+ 0 0 101 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.799 98.0 68.4 -54.0 -33.4 38.9 40.9 18.1 49 152 A D G 3 S+ 0 0 23 1,-0.3 32,-3.1 2,-0.1 33,-0.2 0.547 90.3 62.6 -69.8 -4.9 36.7 40.4 21.1 50 153 A F G X S- 0 0 0 -3,-1.9 3,-2.4 30,-0.2 -1,-0.3 0.586 92.8-144.7 -91.7 -13.1 34.7 37.7 19.3 51 154 A E T < - 0 0 95 -3,-1.7 -2,-0.1 -4,-0.3 -5,-0.1 0.785 65.8 -61.3 55.2 28.7 37.8 35.5 19.1 52 155 A G T 3 S+ 0 0 57 -5,-0.5 -1,-0.3 -7,-0.2 -3,-0.1 0.569 113.1 116.1 77.2 8.5 36.5 34.3 15.7 53 156 A R < + 0 0 42 -3,-2.4 38,-2.7 26,-0.1 2,-0.4 0.461 61.5 77.4 -87.1 -1.9 33.4 32.8 17.2 54 157 A A E -d 91 0B 4 -9,-0.3 2,-0.4 36,-0.2 38,-0.2 -0.877 57.2-177.6-111.5 142.9 31.2 35.2 15.3 55 158 A K E -d 92 0B 112 36,-2.1 38,-2.7 -2,-0.4 2,-0.9 -0.972 22.8-145.3-143.4 124.3 30.4 34.9 11.6 56 159 A Q E +d 93 0B 35 -2,-0.4 38,-0.1 36,-0.2 3,-0.1 -0.802 34.6 162.1 -86.3 109.0 28.3 37.3 9.4 57 160 A I E + 0 0 48 36,-1.6 2,-0.3 -2,-0.9 37,-0.2 0.598 47.9 27.4-110.5 -13.4 26.6 34.8 7.1 58 161 A K E -d 94 0B 75 35,-1.4 37,-3.2 6,-0.1 2,-0.3 -0.986 49.9-174.9-155.8 142.6 23.6 36.4 5.4 59 162 A S E +d 95 0B 33 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.997 15.3 175.3-139.0 142.7 22.3 39.8 4.3 60 163 A Y + 0 0 68 35,-2.5 36,-0.2 -2,-0.3 2,-0.1 0.246 65.7 79.8-124.0 4.7 19.0 41.0 2.8 61 164 A A S S- 0 0 29 2,-0.5 36,-0.1 34,-0.4 -2,-0.1 -0.349 100.9 -80.9-102.9-172.8 19.8 44.7 2.8 62 165 A S S S+ 0 0 105 -2,-0.1 2,-0.2 2,-0.0 36,-0.1 0.855 112.5 36.9 -58.5 -41.1 21.9 46.9 0.4 63 166 A T S S- 0 0 42 2,-0.1 -2,-0.5 1,-0.1 -3,-0.1 -0.676 71.0-137.4-111.3 168.8 25.2 45.9 2.0 64 167 A A S S+ 0 0 69 -2,-0.2 2,-0.3 -4,-0.1 31,-0.1 0.516 79.7 57.8-102.6 -8.1 26.6 42.7 3.4 65 168 A R S S- 0 0 125 -23,-0.1 2,-0.9 -21,-0.1 -2,-0.1 -0.813 92.8 -92.6-122.9 163.8 28.3 43.9 6.5 66 169 A D + 0 0 4 -2,-0.3 -24,-0.1 1,-0.2 32,-0.1 -0.631 45.0 165.1 -76.2 106.0 27.4 45.9 9.6 67 170 A G S S+ 0 0 29 -2,-0.9 -1,-0.2 -26,-0.4 -25,-0.1 0.220 72.5 48.6-104.6 12.5 28.2 49.4 8.7 68 171 A H S S- 0 0 64 -27,-0.2 146,-0.2 -26,-0.0 -2,-0.1 0.748 91.1-133.7-114.5 -54.8 26.2 50.8 11.7 69 172 A G S > S+ 0 0 0 144,-0.1 4,-2.5 -28,-0.1 5,-0.2 0.064 75.3 105.4 119.0 -24.5 27.3 49.0 14.8 70 173 A H H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.945 85.8 43.7 -53.1 -54.4 23.9 48.2 16.4 71 174 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.851 113.1 52.2 -61.4 -36.0 24.0 44.5 15.4 72 175 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 140,-0.3 0.871 107.7 52.2 -68.0 -36.0 27.6 44.2 16.5 73 176 A H H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 139,-0.3 0.919 110.9 46.8 -66.0 -44.6 26.8 45.7 19.9 74 177 A C H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.918 111.7 50.9 -64.0 -42.9 24.0 43.2 20.4 75 178 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.887 107.9 55.0 -61.1 -38.1 26.2 40.4 19.3 76 179 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.870 106.3 48.8 -63.4 -38.8 28.8 41.7 21.8 77 180 A T H < S+ 0 0 1 -4,-1.7 8,-1.6 2,-0.2 -1,-0.2 0.808 111.0 53.6 -71.1 -29.5 26.4 41.5 24.7 78 181 A I H < S- 0 0 0 -4,-1.6 8,-2.8 6,-0.2 7,-0.3 0.956 137.3 -21.8 -70.8 -51.4 25.4 38.0 23.7 79 182 A G H < S+ 0 0 0 -4,-2.4 -3,-0.2 5,-0.2 -2,-0.2 0.212 79.8 137.7-155.0 31.2 28.9 36.5 23.6 80 183 A S X - 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -30,-0.2 -0.508 60.1-117.7 -75.6 152.3 31.9 38.8 23.2 81 184 A K T 4 S+ 0 0 113 -32,-3.1 -1,-0.1 1,-0.2 6,-0.1 0.902 109.0 28.4 -56.7 -44.3 34.8 37.8 25.5 82 185 A T T 4 S+ 0 0 52 -33,-0.2 -74,-0.4 1,-0.1 -1,-0.2 0.866 135.5 24.8 -87.1 -40.1 34.8 41.1 27.4 83 186 A W T 4 S+ 0 0 59 -7,-0.1 -2,-0.2 -34,-0.1 2,-0.2 0.408 99.4 106.4-108.5 2.7 31.2 42.3 27.2 84 187 A G < - 0 0 0 -4,-2.0 3,-0.3 1,-0.1 -6,-0.2 -0.473 56.2-150.5 -94.5 158.2 29.3 39.0 26.7 85 188 A V S S+ 0 0 0 -8,-1.6 2,-0.8 -7,-0.3 -6,-0.2 0.895 99.8 37.3 -81.5 -48.8 27.0 36.7 28.7 86 189 A A S > S- 0 0 0 -8,-2.8 3,-1.4 -9,-0.2 -1,-0.3 -0.804 73.8-177.3-109.7 86.2 27.9 33.5 26.9 87 190 A K T 3 S+ 0 0 11 -2,-0.8 -56,-0.1 -3,-0.3 -1,-0.1 0.499 78.7 40.8 -65.4 -7.9 31.6 33.9 26.3 88 191 A K T 3 S+ 0 0 119 -58,-2.6 -55,-0.4 2,-0.1 -1,-0.3 0.282 87.3 117.1-123.7 10.4 32.1 30.7 24.4 89 192 A V < - 0 0 0 -3,-1.4 2,-0.4 -59,-0.5 -54,-0.2 -0.315 66.8-115.4 -75.5 159.9 28.9 30.6 22.3 90 193 A S E -c 35 0B 46 -56,-1.9 -54,-2.6 -59,-0.3 2,-0.4 -0.841 30.8-155.0 -97.2 135.7 28.9 30.7 18.5 91 194 A I E -cd 36 54B 0 -38,-2.7 -36,-2.1 -2,-0.4 2,-0.5 -0.919 9.0-166.5-117.4 137.3 27.3 33.8 16.9 92 195 A F E -cd 37 55B 16 -56,-2.5 -54,-3.0 -2,-0.4 2,-0.5 -0.980 12.5-144.3-125.0 127.1 25.8 34.2 13.5 93 196 A G E -cd 38 56B 0 -38,-2.7 -36,-1.6 -2,-0.5 -35,-1.4 -0.790 14.3-176.6 -95.7 127.1 25.0 37.5 11.9 94 197 A V E -cd 39 58B 0 -56,-2.7 -54,-2.0 -2,-0.5 2,-0.7 -0.971 16.5-150.4-120.9 111.2 21.9 37.9 9.8 95 198 A K E +cd 40 59B 0 -37,-3.2 -35,-2.5 -2,-0.5 -34,-0.4 -0.749 36.8 147.1 -89.2 113.4 21.6 41.4 8.3 96 199 A V + 0 0 1 -56,-2.7 2,-0.4 -2,-0.7 8,-0.2 0.480 59.7 65.8-118.4 -11.1 18.0 42.5 7.7 97 200 A L S S- 0 0 5 -57,-1.5 6,-0.3 6,-0.1 -36,-0.2 -0.903 81.5-123.0-113.2 139.8 18.4 46.3 8.4 98 201 A D > - 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