==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 04-DEC-08 3FFY . COMPND 2 MOLECULE: PUTATIVE TETRAPYRROLE (CORRIN/PORPHYRIN) METHYLAS . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR J.OSIPIUK,L.VOLKART,G.COBB,Y.KIM,A.JOACHIMIAK,MIDWEST CENTER . 112 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6464.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 17.0 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 . 1 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 1 0.9 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 . 6 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.8 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 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 1 0 1 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 . 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 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 1 111 A N > 0 0 127 0, 0.0 3,-1.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 114.9 2.9 17.5 12.7 2 112 A A T 3 + 0 0 82 1,-0.2 3,-0.3 2,-0.1 0, 0.0 0.817 360.0 42.2 -64.9 -38.0 3.4 21.3 13.2 3 113 A T T > S+ 0 0 78 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 -0.054 72.6 122.9-107.0 29.3 7.2 21.3 12.2 4 114 A A T <> + 0 0 11 -3,-1.1 4,-1.4 1,-0.3 -1,-0.2 0.726 62.7 73.9 -54.3 -27.5 6.8 18.9 9.3 5 115 A F H 3> S+ 0 0 39 -3,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.815 81.2 70.2 -61.6 -29.5 8.3 21.7 7.2 6 116 A V H <> S+ 0 0 76 -3,-1.5 4,-1.7 1,-0.2 3,-0.2 0.976 106.6 34.0 -58.0 -58.9 11.8 21.0 8.6 7 117 A P H > S+ 0 0 38 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.844 114.7 60.4 -66.4 -28.1 12.3 17.6 6.8 8 118 A A H X S+ 0 0 0 -4,-1.4 4,-1.0 1,-0.2 -2,-0.2 0.929 104.5 49.4 -60.2 -44.1 10.3 18.9 3.8 9 119 A L H ><>S+ 0 0 10 -4,-2.7 3,-0.5 -3,-0.2 5,-0.5 0.910 112.1 48.0 -60.4 -44.8 12.9 21.7 3.4 10 120 A V H ><5S+ 0 0 107 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.912 113.8 46.7 -61.5 -43.2 15.8 19.2 3.6 11 121 A A H 3<5S+ 0 0 36 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.643 97.6 77.6 -68.8 -19.2 14.1 16.8 1.1 12 122 A S T <<5S- 0 0 4 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.668 82.1-143.5 -75.8 -21.2 13.3 19.6 -1.3 13 123 A G T < 5 + 0 0 66 -3,-0.8 -1,-0.1 -4,-0.4 -3,-0.1 0.691 64.2 118.4 58.4 20.1 16.7 20.2 -2.9 14 124 A L S S+ 0 0 172 1,-0.5 3,-2.5 3,-0.0 4,-0.3 0.066 120.8 49.2-141.9-109.1 -11.3 32.3 0.2 29 139 A K T 3 S+ 0 0 191 1,-0.3 -1,-0.5 2,-0.1 -2,-0.1 -0.168 121.1 17.5 -46.2 132.4 -11.1 35.9 1.3 30 140 A G T 3> S+ 0 0 24 -3,-0.1 4,-2.4 -4,-0.1 -1,-0.3 0.283 96.1 107.2 89.4 -7.3 -7.5 37.1 1.3 31 141 A R H <> S+ 0 0 7 -3,-2.5 4,-2.3 2,-0.2 5,-0.1 0.928 79.0 42.3 -73.9 -51.6 -6.2 34.3 -1.0 32 142 A X H > S+ 0 0 91 -4,-0.3 4,-3.4 2,-0.2 5,-0.3 0.914 115.5 53.9 -60.3 -42.3 -5.6 36.1 -4.3 33 143 A T H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.945 109.1 46.6 -55.8 -52.6 -4.1 38.9 -2.3 34 144 A K H X S+ 0 0 67 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.911 115.8 46.2 -54.7 -44.6 -1.7 36.6 -0.5 35 145 A L H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 4,-0.5 0.958 112.7 48.9 -65.0 -49.9 -0.8 34.9 -3.9 36 146 A K H >< S+ 0 0 156 -4,-3.4 3,-1.1 1,-0.3 -1,-0.2 0.865 108.0 57.7 -52.3 -40.0 -0.4 38.3 -5.6 37 147 A S H 3< S+ 0 0 66 -4,-2.4 3,-0.4 -5,-0.3 -1,-0.3 0.779 102.9 52.4 -67.4 -25.8 1.8 39.3 -2.6 38 148 A L T X< S+ 0 0 7 -3,-1.1 3,-1.9 -4,-1.1 -1,-0.2 0.488 77.6 101.0 -91.7 -0.4 4.3 36.5 -3.1 39 149 A V T < S+ 0 0 53 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.783 88.2 37.5 -58.7 -33.0 5.0 37.1 -6.8 40 150 A D T 3 S+ 0 0 110 -3,-0.4 2,-0.4 -4,-0.2 -1,-0.3 0.181 83.7 130.5-104.4 14.2 8.4 38.9 -6.2 41 151 A E < - 0 0 52 -3,-1.9 71,-2.8 1,-0.2 4,-0.1 -0.574 35.3-173.3 -74.3 120.5 9.5 36.8 -3.3 42 152 A H + 0 0 140 -2,-0.4 69,-0.4 69,-0.3 2,-0.2 0.622 59.4 83.7 -88.1 -15.8 13.1 35.6 -4.0 43 153 A R S S- 0 0 113 67,-0.1 -24,-0.2 1,-0.1 69,-0.2 -0.571 93.2 -93.4 -86.0 152.4 13.3 33.2 -0.9 44 154 A T E -a 19 0A 2 -26,-0.9 -24,-2.5 -29,-0.2 2,-0.4 -0.346 43.9-144.7 -53.4 139.6 12.0 29.6 -0.9 45 155 A X E -aB 20 109A 0 64,-2.8 64,-2.8 -26,-0.2 2,-0.5 -0.917 7.8-154.8-115.1 142.3 8.4 29.6 0.5 46 156 A V E +aB 21 108A 0 -26,-3.1 -24,-4.0 -2,-0.4 -23,-1.1 -0.982 17.4 172.0-123.9 128.4 6.9 26.9 2.6 47 157 A F E -aB 23 107A 4 60,-2.7 60,-3.1 -2,-0.5 2,-0.4 -0.929 24.8-137.7-128.3 154.7 3.2 26.1 2.8 48 158 A Y E + B 0 106A 17 -25,-2.2 -23,-0.5 -2,-0.3 2,-0.3 -0.884 29.6 175.1-106.9 144.3 1.0 23.4 4.4 49 159 A E E - B 0 105A 2 56,-2.2 56,-2.6 -2,-0.4 54,-0.1 -0.986 29.2-117.7-148.6 155.6 -1.9 22.0 2.4 50 160 A S >> - 0 0 17 -2,-0.3 4,-1.2 54,-0.2 3,-1.0 -0.592 32.1-116.0 -91.7 156.1 -4.6 19.4 2.5 51 161 A P T 34 S+ 0 0 29 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.881 113.8 51.9 -63.6 -35.4 -4.7 16.6 -0.0 52 162 A H T 34 S+ 0 0 181 1,-0.2 4,-0.2 2,-0.1 50,-0.0 0.643 115.4 41.8 -74.8 -15.2 -8.1 17.7 -1.5 53 163 A R T <> S+ 0 0 109 -3,-1.0 4,-2.2 2,-0.1 -1,-0.2 0.504 89.1 92.1-104.7 -10.0 -6.9 21.3 -2.0 54 164 A L H X S+ 0 0 0 -4,-1.2 4,-2.9 -3,-0.4 5,-0.2 0.892 82.7 50.7 -57.0 -45.9 -3.4 20.5 -3.3 55 165 A L H > S+ 0 0 58 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.926 111.7 48.0 -64.0 -46.1 -4.1 20.5 -7.1 56 166 A K H > S+ 0 0 109 -4,-0.2 4,-3.0 2,-0.2 5,-0.2 0.945 113.1 48.5 -54.1 -51.6 -5.9 23.8 -7.0 57 167 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.915 113.4 46.9 -56.3 -46.9 -3.1 25.4 -5.0 58 168 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.891 111.8 51.6 -64.1 -38.4 -0.4 24.0 -7.4 59 169 A T H X S+ 0 0 48 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.946 112.6 44.2 -63.5 -47.5 -2.5 25.2 -10.4 60 170 A Q H X S+ 0 0 25 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.873 109.0 57.0 -67.8 -36.7 -2.7 28.7 -9.0 61 171 A F H X>S+ 0 0 0 -4,-2.7 4,-3.7 -5,-0.2 5,-0.7 0.924 107.9 49.1 -53.8 -45.2 1.0 28.6 -8.0 62 172 A A H X5S+ 0 0 13 -4,-2.2 4,-1.5 3,-0.2 -2,-0.2 0.916 111.0 49.9 -62.0 -41.5 1.6 27.9 -11.8 63 173 A E H <5S+ 0 0 132 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.945 122.3 31.5 -63.7 -43.6 -0.6 30.8 -12.7 64 174 A Y H <5S+ 0 0 60 -4,-2.8 -2,-0.2 1,-0.1 -3,-0.2 0.811 133.9 26.1 -84.5 -35.1 1.1 33.3 -10.3 65 175 A F H <5S- 0 0 10 -4,-3.7 -3,-0.2 -5,-0.3 -2,-0.2 0.590 115.3 -99.3-107.2 -14.7 4.7 32.0 -10.3 66 176 A G ><< - 0 0 14 -4,-1.5 3,-1.9 -5,-0.7 23,-0.3 0.217 26.2 -98.9 103.1 138.1 4.9 30.3 -13.7 67 177 A P T 3 S+ 0 0 62 0, 0.0 23,-2.7 0, 0.0 22,-0.4 0.703 119.4 60.6 -63.3 -18.5 4.6 26.5 -14.6 68 178 A E T 3 S+ 0 0 123 20,-0.2 2,-0.1 21,-0.2 -2,-0.1 0.520 75.9 119.7 -86.8 -6.1 8.4 26.2 -14.7 69 179 A R < - 0 0 30 -3,-1.9 20,-1.5 19,-0.1 2,-0.1 -0.410 70.0-114.2 -65.2 133.2 8.9 27.2 -11.1 70 180 A Q E +C 88 0A 81 18,-0.2 40,-2.7 41,-0.2 2,-0.3 -0.398 43.3 169.1 -69.7 139.4 10.6 24.5 -9.0 71 181 A V E -CD 87 109A 1 16,-2.6 16,-2.2 38,-0.2 2,-0.4 -0.969 23.1-155.8-149.4 157.7 8.5 22.9 -6.3 72 182 A S E -CD 86 108A 0 36,-1.9 36,-3.1 -2,-0.3 2,-0.5 -0.988 6.0-162.7-138.7 129.5 8.7 20.0 -3.9 73 183 A V E -CD 85 107A 4 12,-3.4 12,-3.0 -2,-0.4 2,-0.4 -0.965 18.9-175.7-118.5 126.5 5.6 18.4 -2.3 74 184 A S E -CD 84 106A 1 32,-2.8 32,-2.1 -2,-0.5 2,-0.5 -0.946 21.3-161.4-129.7 146.8 6.3 16.2 0.7 75 185 A R E -C 83 0A 49 8,-2.8 8,-2.4 -2,-0.4 2,-0.8 -0.982 20.7-136.7-126.0 130.0 4.5 14.0 3.1 76 186 A E E +C 82 0A 51 -2,-0.5 6,-0.2 28,-0.4 3,-0.1 -0.775 22.4 176.4 -88.1 111.7 6.0 13.1 6.4 77 187 A I S S- 0 0 64 4,-2.4 2,-0.3 -2,-0.8 5,-0.2 0.784 73.9 -22.9 -84.6 -28.0 5.5 9.3 7.1 78 188 A S S S- 0 0 48 3,-2.1 -1,-0.3 -3,-0.1 3,-0.1 -0.929 83.0 -77.7-159.8-175.0 7.5 9.6 10.3 79 189 A K S S+ 0 0 190 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 0.743 134.3 24.7 -65.9 -19.7 10.1 11.8 11.9 80 190 A I S S+ 0 0 147 1,-0.1 2,-0.5 -4,-0.0 -1,-0.2 0.479 111.7 76.0-116.9 -1.1 12.7 10.1 9.7 81 191 A H + 0 0 103 -3,-0.1 -4,-2.4 2,-0.0 -3,-2.1 -0.939 55.3 169.7-126.3 118.4 10.7 8.8 6.7 82 192 A E E -C 76 0A 42 -2,-0.5 2,-0.4 -6,-0.2 -6,-0.2 -0.899 24.0-150.8-130.7 153.9 9.5 11.1 4.0 83 193 A E E -C 75 0A 94 -8,-2.4 -8,-2.8 -2,-0.3 2,-0.4 -0.998 24.9-173.2-126.3 131.8 7.9 10.8 0.7 84 194 A T E -C 74 0A 49 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.980 24.0-166.9-139.5 139.2 8.6 13.5 -1.9 85 195 A V E +C 73 0A 42 -12,-3.0 -12,-3.4 -2,-0.4 2,-0.4 -0.998 25.4 174.6-119.3 119.7 7.5 14.7 -5.4 86 196 A R E +C 72 0A 164 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.990 22.3 84.4-134.1 143.0 9.7 17.3 -6.9 87 197 A G E S-C 71 0A 5 -16,-2.2 -16,-2.6 -2,-0.4 2,-0.1 -0.956 78.9 -26.9 168.4-154.9 10.0 19.1 -10.3 88 198 A T E > -C 70 0A 29 -2,-0.3 4,-2.5 -18,-0.2 -18,-0.2 -0.416 62.0-109.4 -75.9 160.8 8.4 22.0 -12.0 89 199 A L H > S+ 0 0 0 -20,-1.5 4,-2.3 -22,-0.4 5,-0.2 0.905 122.7 56.5 -54.7 -41.2 4.9 23.1 -11.0 90 200 A S H > S+ 0 0 65 -23,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.932 106.6 47.6 -56.3 -50.5 3.8 21.8 -14.4 91 201 A E H > S+ 0 0 99 -24,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.909 113.1 48.6 -58.5 -42.6 5.3 18.3 -13.6 92 202 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.842 108.9 53.0 -70.5 -31.9 3.6 18.3 -10.2 93 203 A I H X S+ 0 0 36 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.938 111.8 46.1 -66.4 -43.5 0.2 19.4 -11.7 94 204 A E H >X S+ 0 0 147 -4,-2.2 4,-1.7 -5,-0.2 3,-0.7 0.934 113.8 49.6 -62.8 -45.0 0.4 16.5 -14.1 95 205 A H H 3X S+ 0 0 75 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.935 113.2 44.4 -61.6 -48.6 1.4 14.1 -11.3 96 206 A F H 3< S+ 0 0 15 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.444 106.4 60.9 -84.0 2.1 -1.4 15.1 -8.9 97 207 A T H << S+ 0 0 88 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.835 110.3 40.9 -80.5 -43.6 -3.9 15.0 -11.7 98 208 A A H < S+ 0 0 85 -4,-1.7 2,-0.4 1,-0.2 -2,-0.2 0.809 128.3 28.7 -72.8 -32.1 -3.2 11.3 -12.3 99 209 A T S < S- 0 0 68 -4,-1.8 -1,-0.2 -5,-0.2 0, 0.0 -0.970 78.6-134.7-137.6 119.6 -3.0 10.4 -8.6 100 210 A D - 0 0 143 -2,-0.4 2,-0.1 -3,-0.1 -48,-0.1 -0.370 38.7-104.3 -62.4 147.0 -4.7 12.2 -5.7 101 211 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 -0.399 21.9-133.9 -83.8 169.9 -2.3 13.0 -2.8 102 212 A R - 0 0 186 -2,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.361 61.2 -13.5-116.3 -2.3 -2.2 11.1 0.5 103 213 A G S S- 0 0 18 -54,-0.1 -54,-0.1 0, 0.0 2,-0.0 -0.961 95.8 -41.2-172.3-179.5 -2.1 13.2 3.7 104 214 A E S S- 0 0 96 -2,-0.3 -28,-0.4 -54,-0.1 2,-0.3 -0.403 70.3-162.1 -52.3 134.2 -1.4 16.6 4.9 105 215 A I E -B 49 0A 6 -56,-2.6 -56,-2.2 -30,-0.1 2,-0.4 -0.791 19.6-133.1-122.4 166.8 1.5 17.8 2.8 106 216 A V E -BD 48 74A 4 -32,-2.1 -32,-2.8 -2,-0.3 2,-0.5 -0.959 17.0-152.5-116.2 134.0 4.1 20.5 2.8 107 217 A I E -BD 47 73A 0 -60,-3.1 -60,-2.7 -2,-0.4 2,-0.6 -0.966 6.0-167.2-108.8 124.2 4.8 22.5 -0.3 108 218 A V E -BD 46 72A 0 -36,-3.1 -36,-1.9 -2,-0.5 2,-0.5 -0.965 13.7-169.3-112.8 110.5 8.3 23.9 -0.7 109 219 A L E -BD 45 71A 0 -64,-2.8 -64,-2.8 -2,-0.6 -38,-0.2 -0.890 20.2-122.7-108.9 128.3 8.2 26.5 -3.6 110 220 A A - 0 0 13 -40,-2.7 -67,-0.1 -2,-0.5 -66,-0.1 -0.346 28.8-129.4 -62.3 139.6 11.3 28.0 -5.1 111 221 A G 0 0 18 -69,-0.4 -69,-0.3 1,-0.1 -41,-0.2 -0.224 360.0 360.0 -77.2-177.0 11.5 31.8 -5.0 112 222 A I 0 0 109 -71,-2.8 -70,-0.3 -69,-0.2 -1,-0.1 0.950 360.0 360.0 -80.6 360.0 12.2 34.2 -7.9