==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-SEP-04 1XF1 . COMPND 2 MOLECULE: C5A PEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES; . AUTHOR C.K.BROWN,Z.Y.GU,P.P.CLEARY,Y.MATSUKA,S.OLMSTEAD, . 1852 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 77331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1108 59.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 366 19.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 20 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 160 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 3 2 2 4 1 3 5 0 2 0 0 1 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 9 6 4 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 . 27 7 16 6 6 4 7 0 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 9 5 2 2 0 2 0 2 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 1 106 A N 0 0 85 0, 0.0 3,-0.1 0, 0.0 231,-0.0 0.000 360.0 360.0 360.0 71.1 20.3 35.5 -0.9 2 107 A D > + 0 0 49 1,-0.1 3,-2.2 3,-0.0 5,-0.1 -0.543 360.0 166.4-131.3 66.1 20.4 33.1 2.0 3 108 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 228,-0.0 0.802 83.7 45.3 -51.9 -31.7 19.2 29.7 0.5 4 109 A S T 3 S- 0 0 3 -3,-0.1 468,-2.1 467,-0.1 469,-0.6 0.483 106.6-131.4 -91.4 -3.4 20.5 27.9 3.6 5 110 A Q < + 0 0 78 -3,-2.2 468,-0.3 467,-0.2 4,-0.3 0.961 45.6 159.5 51.0 65.9 19.0 30.5 6.0 6 111 A V > + 0 0 16 1,-0.2 4,-2.3 466,-0.1 3,-0.3 0.512 48.1 93.4 -92.3 -6.6 22.0 31.1 8.1 7 112 A K H > S+ 0 0 131 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.924 86.4 44.6 -50.7 -56.2 20.7 34.5 9.4 8 113 A T H 4 S+ 0 0 46 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.786 113.5 51.0 -63.0 -30.1 19.1 33.2 12.5 9 114 A L H >> S+ 0 0 0 -4,-0.3 3,-0.8 -3,-0.3 4,-0.5 0.855 111.5 47.8 -76.1 -36.1 22.0 30.9 13.4 10 115 A Q H >X S+ 0 0 33 -4,-2.3 4,-3.6 1,-0.2 3,-1.1 0.919 105.7 55.4 -71.2 -44.4 24.5 33.8 13.1 11 116 A E H 3< S+ 0 0 149 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.1 0.131 117.2 40.8 -77.2 26.9 22.5 36.3 15.1 12 117 A K H <4 S+ 0 0 108 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.329 132.3 19.2-145.4 -10.6 22.6 33.6 17.8 13 118 A A H << S- 0 0 21 -3,-1.1 3,-0.4 -4,-0.5 -3,-0.2 0.388 101.5-123.7-142.2 -7.8 26.2 32.3 17.5 14 119 A G < - 0 0 31 -4,-3.6 -1,-0.3 -5,-0.2 -2,-0.2 -0.550 32.6 -73.9 96.1-161.0 28.1 35.1 15.7 15 120 A K S S- 0 0 108 -2,-0.2 101,-2.4 99,-0.1 102,-0.5 -0.048 76.8 -80.1-132.4 31.1 30.1 34.9 12.4 16 121 A G > + 0 0 0 -3,-0.4 3,-2.0 1,-0.2 102,-0.3 0.623 67.5 165.6 83.6 13.8 33.2 33.2 13.5 17 122 A A T 3 S+ 0 0 60 1,-0.3 -1,-0.2 100,-0.1 100,-0.2 -0.464 74.3 14.5 -65.3 128.3 35.1 36.1 15.1 18 123 A G T 3 S+ 0 0 31 98,-0.6 -1,-0.3 1,-0.3 2,-0.2 0.381 108.4 108.1 88.9 -5.9 38.0 34.7 17.0 19 124 A T < - 0 0 27 -3,-2.0 99,-2.3 97,-0.1 2,-0.4 -0.568 61.4-132.8-101.9 169.4 37.7 31.3 15.4 20 125 A V E -ab 118 150A 1 129,-0.9 131,-0.7 128,-0.6 2,-0.5 -0.977 12.3-165.5-126.2 134.2 40.0 29.6 12.8 21 126 A V E -ab 119 151A 0 97,-2.9 99,-1.9 -2,-0.4 2,-0.3 -0.981 11.4-152.7-120.6 125.6 38.9 27.8 9.6 22 127 A A E -ab 120 152A 0 129,-2.4 131,-2.9 -2,-0.5 2,-0.4 -0.738 6.8-166.3 -99.8 148.2 41.3 25.6 7.8 23 128 A V E -ab 121 153A 10 97,-3.0 99,-2.4 -2,-0.3 2,-0.6 -0.944 1.1-169.5-135.4 112.0 41.3 24.8 4.1 24 129 A I E +ab 122 154A 0 129,-3.4 131,-2.2 -2,-0.4 2,-0.3 -0.905 29.1 142.4-101.9 122.2 43.3 22.0 2.7 25 130 A D E -a 123 0A 3 97,-2.3 99,-2.4 -2,-0.6 131,-0.1 -0.963 61.9-113.8-152.9 167.5 43.5 22.1 -1.1 26 131 A A S S- 0 0 6 -2,-0.3 2,-0.3 97,-0.2 97,-0.1 0.649 98.7 -10.5 -79.4 -15.5 45.7 21.4 -4.1 27 132 A G - 0 0 0 95,-0.1 -1,-0.2 1738,-0.1 130,-0.1 -0.977 42.1-158.1-169.1 173.0 45.6 25.2 -4.9 28 133 A F > + 0 0 26 -2,-0.3 3,-1.4 -3,-0.1 -1,-0.1 0.333 60.7 111.4-142.2 -3.0 43.9 28.5 -4.1 29 134 A D T 3 S+ 0 0 83 1,-0.3 1734,-0.0 3,-0.0 -2,-0.0 0.786 87.9 43.9 -47.2 -32.9 44.6 30.5 -7.2 30 135 A K T 3 S+ 0 0 99 1,-0.0 2,-0.8 2,-0.0 -1,-0.3 0.704 84.5 111.8 -86.1 -21.8 40.9 30.4 -8.0 31 136 A N < - 0 0 13 -3,-1.4 -3,-0.0 1,-0.2 78,-0.0 -0.364 47.0-173.3 -58.2 99.1 39.9 31.1 -4.4 32 137 A H + 0 0 33 -2,-0.8 3,-0.4 2,-0.1 -1,-0.2 0.977 20.0 164.4 -56.7 -61.2 38.4 34.6 -4.8 33 138 A E - 0 0 4 1,-0.2 2,-3.0 -3,-0.1 67,-0.1 0.852 50.8-116.9 39.8 117.8 37.9 35.1 -1.0 34 139 A A + 0 0 35 76,-0.1 3,-0.3 2,-0.1 -1,-0.2 -0.239 58.3 168.5 -73.6 53.0 37.3 38.7 0.2 35 140 A W + 0 0 69 -2,-3.0 2,-1.6 -3,-0.4 35,-0.1 0.247 40.3 53.1 -54.9-173.3 40.6 38.4 2.1 36 141 A R S S+ 0 0 104 33,-0.2 32,-0.6 1,-0.1 -1,-0.2 -0.564 90.6 78.5 83.4 -76.2 42.4 41.4 3.7 37 142 A L + 0 0 105 -2,-1.6 -1,-0.1 -3,-0.3 0, 0.0 -0.100 33.7 157.1 -64.2 163.0 39.6 42.8 5.9 38 143 A T - 0 0 7 -3,-0.1 -1,-0.1 31,-0.0 4,-0.1 0.255 35.3-147.4-159.4 -16.7 38.4 41.4 9.2 39 144 A D S S+ 0 0 111 1,-0.1 -2,-0.1 2,-0.1 77,-0.0 0.748 87.7 48.0 40.9 37.2 36.8 44.5 10.8 40 145 A K - 0 0 128 76,-0.0 2,-0.2 0, 0.0 -1,-0.1 0.004 66.5-164.9 163.7 72.8 37.8 43.4 14.3 41 146 A T + 0 0 68 1,-0.2 2,-1.3 -24,-0.1 -2,-0.1 0.319 64.4 108.3 -57.9 13.4 41.5 42.3 14.5 42 147 A K + 0 0 134 -2,-0.2 -1,-0.2 -4,-0.1 2,-0.1 -0.354 51.1 134.2 -89.4 55.7 40.5 40.7 17.8 43 148 A A S S- 0 0 10 -2,-1.3 3,-0.1 2,-0.2 -26,-0.1 -0.403 77.9 -89.8 -95.8 175.1 40.9 37.2 16.3 44 149 A R S S+ 0 0 124 -25,-0.2 2,-0.6 1,-0.2 -24,-0.1 0.859 119.7 45.1 -53.4 -37.7 42.6 34.2 17.6 45 150 A Y - 0 0 6 23,-0.2 2,-0.6 9,-0.0 -1,-0.2 -0.901 67.1-175.7-118.5 107.3 45.8 35.3 15.9 46 151 A Q > - 0 0 78 -2,-0.6 4,-1.2 -3,-0.1 5,-0.1 -0.886 62.3 -24.0-100.4 117.3 46.8 39.0 16.2 47 152 A S H >> S- 0 0 38 -2,-0.6 4,-1.2 2,-0.2 3,-0.6 0.402 88.4 -72.1 63.3 158.2 49.9 39.7 14.1 48 153 A K H 3> S+ 0 0 112 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.801 127.1 66.1 -51.0 -34.8 52.6 37.2 13.0 49 154 A E H 3> S+ 0 0 133 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.940 99.2 47.8 -56.3 -53.6 53.9 37.1 16.5 50 155 A D H S+ 0 0 8 -4,-2.4 5,-3.4 1,-0.2 3,-0.2 0.717 108.1 58.8 -76.8 -17.2 53.3 27.0 16.0 56 161 A K H ><5S+ 0 0 175 -4,-0.9 3,-1.2 -3,-0.4 -1,-0.2 0.873 103.5 53.4 -74.1 -36.7 56.5 27.2 18.1 57 162 A E T 3<5S+ 0 0 125 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.581 113.8 43.5 -71.9 -11.1 54.4 25.6 20.9 58 163 A H T 3 5S- 0 0 81 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 -0.071 116.0-107.7-126.1 32.0 53.4 22.9 18.5 59 164 A G T < 5 + 0 0 66 -3,-1.2 2,-0.8 1,-0.2 -3,-0.2 0.678 67.6 147.8 51.2 25.2 56.7 22.1 16.9 60 165 A I < + 0 0 5 -5,-3.4 -1,-0.2 1,-0.2 -2,-0.1 -0.816 16.0 167.8 -95.1 111.9 55.8 23.7 13.6 61 166 A T + 0 0 131 -2,-0.8 2,-0.2 -3,-0.1 -1,-0.2 0.646 60.0 64.7 -94.3 -19.8 58.8 25.2 12.0 62 167 A Y + 0 0 76 -7,-0.1 2,-0.1 2,-0.0 12,-0.1 -0.489 67.9 71.7 -99.4 171.5 57.3 25.8 8.6 63 168 A G - 0 0 13 -2,-0.2 2,-0.3 12,-0.1 11,-0.2 -0.135 55.6-129.3 104.7 157.2 54.4 28.1 7.5 64 169 A E B -C 73 0A 121 9,-1.9 9,-1.2 -2,-0.1 2,-0.2 -0.993 12.6-119.3-146.3 150.2 54.0 31.8 7.2 65 170 A W + 0 0 48 -2,-0.3 2,-0.3 7,-0.2 6,-0.2 -0.597 32.8 170.9 -86.6 150.8 51.6 34.6 8.3 66 171 A V - 0 0 54 4,-0.9 6,-0.1 1,-0.6 -30,-0.1 -0.942 48.4 -15.4-158.7 137.0 49.7 36.6 5.7 67 172 A N S S- 0 0 30 -2,-0.3 -1,-0.6 1,-0.2 -30,-0.1 0.430 80.5 -87.8 48.0 162.8 46.9 39.2 6.1 68 173 A D S S+ 0 0 52 -32,-0.6 2,-0.4 -3,-0.1 3,-0.2 0.674 127.1 55.7 -73.8 -17.1 44.8 39.5 9.2 69 174 A K S S+ 0 0 3 1,-0.2 -33,-0.2 -33,-0.2 49,-0.1 -0.914 104.4 36.4-111.1 141.4 42.8 36.9 7.5 70 175 A V - 0 0 10 -2,-0.4 -4,-0.9 -49,-0.1 -1,-0.2 0.966 69.1-177.5 76.0 59.9 44.7 33.8 6.5 71 176 A A + 0 0 0 48,-0.8 2,-0.3 -3,-0.2 49,-0.2 0.549 66.5 34.7 -69.0 -6.3 46.9 33.8 9.6 72 177 A Y E + d 0 120A 0 47,-1.3 49,-2.9 -7,-0.2 2,-0.3 -0.988 59.9 167.8-154.2 140.5 48.7 30.8 8.2 73 178 A Y E +Cd 64 121A 62 -9,-1.2 -9,-1.9 -2,-0.3 2,-0.3 -0.993 7.4 159.6-149.8 147.0 49.8 29.3 4.9 74 179 A H E - 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0 0 77 -2,-0.3 3,-1.7 3,-0.2 -78,-0.0 -0.871 53.8 -45.7-155.6-177.0 32.9 32.0 -0.0 110 215 A L T 3 S+ 0 0 8 -2,-0.3 -1,-0.2 1,-0.2 -76,-0.1 -0.111 121.3 40.9 -54.6 163.1 35.4 30.1 2.1 111 216 A E T > S- 0 0 3 -89,-0.1 3,-0.7 2,-0.1 2,-0.4 0.024 94.8-149.5 83.1 -28.5 34.7 30.1 5.8 112 217 A G T < S+ 0 0 15 -3,-1.7 -3,-0.2 1,-0.3 300,-0.2 -0.502 72.8 1.5 70.0-122.6 31.1 29.6 4.9 113 218 A A T 3 S+ 0 0 4 299,-0.7 -1,-0.3 -2,-0.4 3,-0.1 0.179 124.9 76.4 -84.7 18.0 28.7 31.1 7.4 114 219 A X X + 0 0 5 -3,-0.7 3,-1.7 1,-0.1 -1,-0.2 -0.503 48.5 157.9-127.9 64.3 31.7 32.4 9.3 115 220 A P T 3 S+ 0 0 43 0, 0.0 -99,-0.1 0, 0.0 -1,-0.1 0.757 73.7 58.0 -58.1 -27.0 33.0 35.4 7.4 116 221 A E T 3 S+ 0 0 34 -101,-2.4 -98,-0.6 -3,-0.1 -100,-0.2 0.436 83.8 103.8 -86.8 0.7 34.8 36.8 10.4 117 222 A A S < S- 0 0 0 -3,-1.7 2,-0.2 -102,-0.5 -97,-0.2 -0.408 71.8-120.0 -79.7 158.6 37.0 33.7 11.0 118 223 A Q E -a 20 0A 2 -99,-2.3 -97,-2.9 -102,-0.3 2,-0.3 -0.615 29.5-126.1 -92.7 160.6 40.7 33.6 10.1 119 224 A L E -a 21 0A 1 -2,-0.2 -47,-1.3 -99,-0.2 -48,-0.8 -0.808 14.5-159.9-114.1 152.3 42.0 31.1 7.6 120 225 A L E -ad 22 72A 0 -99,-1.9 -97,-3.0 -2,-0.3 2,-0.7 -0.985 18.5-159.4-124.3 112.0 44.7 28.4 7.6 121 226 A L E -ad 23 73A 12 -49,-2.9 -47,-1.8 -2,-0.5 2,-0.7 -0.848 9.1-175.2-102.8 107.0 45.5 27.5 4.0 122 227 A X E -ad 24 74A 0 -99,-2.4 -97,-2.3 -2,-0.7 2,-0.7 -0.881 10.1-157.2-102.5 111.1 47.3 24.2 3.6 123 228 A R E +ad 25 75A 25 -49,-3.0 -47,-2.5 -2,-0.7 -46,-0.5 -0.787 21.0 169.0 -91.0 116.8 48.4 23.5 0.0 124 229 A V + 0 0 1 -99,-2.4 2,-0.3 -2,-0.7 9,-0.1 -0.986 2.5 166.4-130.3 138.3 48.8 19.7 -0.6 125 230 A E - 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