==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 02-MAY-05 1ZK6 . COMPND 2 MOLECULE: FOLDASE PROTEIN PRSA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR H.TOSSAVAINEN,P.PERMI,S.L.PURHONEN,M.SARVAS,I.KILPELAINEN, . 91 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5828.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 20.9 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 . 1 1.1 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.2 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 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 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 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 1 116 A G 0 0 110 0, 0.0 52,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-165.6 1.8 -0.2 0.7 2 117 A K - 0 0 131 89,-0.2 2,-0.3 50,-0.1 50,-0.2 -0.918 360.0-167.0-138.5 163.8 2.4 2.3 -2.1 3 118 A I E -A 51 0A 9 48,-2.3 48,-2.6 -2,-0.3 2,-0.4 -0.895 18.6-127.0-140.5 169.5 1.0 3.6 -5.4 4 119 A R E +AB 50 90A 92 86,-2.7 85,-2.4 -2,-0.3 86,-2.0 -0.960 33.8 158.2-124.8 141.6 2.2 5.8 -8.3 5 120 A A E - B 0 88A 0 44,-0.7 43,-2.0 -2,-0.4 44,-0.4 -0.952 30.9-129.3-152.1 169.9 0.4 8.9 -9.8 6 121 A S E -AB 47 87A 10 81,-2.7 81,-2.4 -2,-0.3 41,-0.3 -0.911 27.3-170.7-124.8 152.2 0.7 12.1 -11.7 7 122 A H E - B 0 86A 7 39,-1.9 2,-0.3 -2,-0.3 79,-0.2 -0.862 23.2-145.4-140.4 171.2 -0.7 15.6 -10.8 8 123 A I E - B 0 85A 0 77,-2.1 77,-1.6 -2,-0.3 2,-0.4 -0.984 21.1-166.5-138.5 127.2 -1.4 19.2 -11.8 9 124 A L E + B 0 84A 14 -2,-0.3 29,-2.3 75,-0.2 30,-0.3 -0.981 8.1 177.7-126.9 130.9 -1.1 22.1 -9.2 10 125 A V E - B 0 83A 1 73,-2.3 73,-2.7 -2,-0.4 27,-0.1 -0.903 38.7-120.0-133.2 153.5 -2.3 25.7 -9.6 11 126 A A S S+ 0 0 91 -2,-0.3 2,-0.3 71,-0.2 73,-0.1 0.780 96.4 10.1 -65.7 -29.5 -2.5 28.8 -7.4 12 127 A D S >> S- 0 0 80 71,-0.1 3,-1.5 70,-0.1 4,-0.8 -0.991 78.3-107.0-152.8 154.4 -6.3 29.0 -7.5 13 128 A K H 3> S+ 0 0 95 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.674 105.1 76.4 -56.5 -25.2 -9.4 26.9 -8.6 14 129 A K H 3> S+ 0 0 136 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.839 98.4 45.6 -60.0 -34.1 -10.1 29.1 -11.7 15 130 A T H <> S+ 0 0 58 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.872 111.1 53.3 -74.5 -37.6 -7.1 27.5 -13.6 16 131 A A H X S+ 0 0 0 -4,-0.8 4,-2.4 1,-0.2 -2,-0.2 0.879 102.2 58.2 -65.3 -38.0 -8.2 24.0 -12.4 17 132 A E H X S+ 0 0 87 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.846 106.4 49.5 -60.4 -34.6 -11.8 24.5 -13.8 18 133 A E H X S+ 0 0 101 -4,-0.8 4,-2.8 -3,-0.2 -2,-0.2 0.927 109.1 51.5 -70.3 -41.8 -10.2 25.1 -17.3 19 134 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.904 105.4 55.9 -61.0 -40.2 -8.1 21.9 -16.9 20 135 A E H X S+ 0 0 82 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.885 112.0 43.4 -57.7 -38.9 -11.4 19.9 -16.1 21 136 A K H >X S+ 0 0 154 -4,-1.2 4,-2.1 -3,-0.2 3,-0.8 0.924 111.2 54.1 -71.0 -44.1 -12.8 21.2 -19.4 22 137 A K H 3X>S+ 0 0 51 -4,-2.8 4,-1.5 1,-0.2 5,-1.3 0.862 103.6 56.7 -58.4 -38.2 -9.5 20.5 -21.3 23 138 A L H 3<5S+ 0 0 50 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.785 112.6 41.1 -63.7 -30.5 -9.6 16.9 -20.1 24 139 A K H <<5S+ 0 0 192 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.778 107.2 63.2 -85.1 -30.5 -13.1 16.5 -21.7 25 140 A K H <5S- 0 0 179 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.826 124.2 -96.5 -62.2 -37.4 -12.1 18.5 -24.8 26 141 A G T <5S+ 0 0 62 -4,-1.5 -3,-0.2 1,-0.3 2,-0.1 0.182 78.3 130.1 142.2 -16.5 -9.5 15.7 -25.7 27 142 A E < - 0 0 91 -5,-1.3 -1,-0.3 1,-0.1 2,-0.1 -0.424 59.3-110.5 -71.3 139.8 -6.0 16.8 -24.4 28 143 A K >> - 0 0 152 -2,-0.1 4,-2.3 1,-0.1 3,-1.3 -0.420 12.2-130.4 -70.6 141.7 -4.0 14.3 -22.3 29 144 A F H 3> S+ 0 0 10 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.878 108.9 59.5 -54.4 -41.4 -3.4 14.9 -18.6 30 145 A E H 34 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.2 4,-0.3 0.712 112.5 38.2 -64.9 -22.8 0.3 14.2 -19.1 31 146 A D H <4 S+ 0 0 77 -3,-1.3 3,-0.4 2,-0.2 4,-0.3 0.736 109.3 59.4 -99.5 -28.3 0.5 17.2 -21.6 32 147 A L H >X>S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 3,-1.4 0.858 98.6 61.8 -66.4 -31.0 -1.9 19.5 -19.7 33 148 A A H 3X5S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.3 -1,-0.2 0.861 101.5 51.8 -60.0 -34.6 0.6 19.2 -16.7 34 149 A K H 345S+ 0 0 106 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.526 119.7 35.6 -75.5 -8.8 3.3 20.8 -19.1 35 150 A E H <45S+ 0 0 143 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.2 0.656 131.4 19.5-119.7 -25.7 0.8 23.7 -19.8 36 151 A Y H <5S+ 0 0 44 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.1 0.681 93.6 98.1-124.7 -31.4 -1.2 24.4 -16.5 37 152 A S << - 0 0 17 -5,-0.6 -27,-0.2 -4,-0.6 -29,-0.1 -0.288 45.4-167.7 -64.0 150.4 0.8 22.9 -13.6 38 153 A T + 0 0 97 -29,-2.3 2,-0.1 4,-0.0 -28,-0.1 0.420 58.9 93.8-118.6 -6.7 3.1 25.3 -11.5 39 154 A D S > S- 0 0 71 -30,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.488 92.1-105.0 -81.9 158.4 5.0 22.6 -9.5 40 155 A S G > S+ 0 0 110 1,-0.3 3,-0.7 -2,-0.1 4,-0.2 0.701 114.5 77.4 -55.0 -21.2 8.4 21.2 -10.6 41 156 A S G > >S+ 0 0 2 1,-0.2 5,-2.5 2,-0.1 3,-1.5 0.665 70.6 87.0 -61.0 -19.2 6.5 18.0 -11.7 42 157 A A G X 5S+ 0 0 17 -3,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.898 84.9 50.9 -51.5 -48.9 5.3 19.9 -14.8 43 158 A S G < 5S+ 0 0 114 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.626 108.0 54.4 -67.6 -14.9 8.4 19.0 -16.9 44 159 A K G X 5S- 0 0 133 -3,-1.5 3,-0.9 -4,-0.2 -1,-0.3 0.201 125.1-101.3 -97.4 8.4 7.9 15.2 -16.0 45 160 A G T < 5S- 0 0 0 -3,-1.8 -3,-0.2 1,-0.2 -12,-0.2 0.731 76.2 -59.2 71.9 22.5 4.2 15.3 -17.3 46 161 A G T 3 > - 0 0 15 -2,-0.2 3,-1.1 -50,-0.2 4,-0.9 -0.771 27.3-109.8-122.8 162.1 1.9 6.3 0.5 53 168 A K T 34 S+ 0 0 122 -52,-0.3 10,-0.1 1,-0.2 9,-0.1 0.643 95.6 91.5 -64.7 -18.0 -1.5 7.4 1.9 54 169 A E T 34 S- 0 0 142 1,-0.1 -1,-0.2 8,-0.1 5,-0.1 0.601 113.5 -87.4 -56.7 -19.6 0.2 8.9 5.1 55 170 A G T <4 + 0 0 22 -3,-1.1 4,-0.3 3,-0.2 -2,-0.1 0.698 67.1 157.3 115.6 31.2 0.5 12.4 3.5 56 171 A Q S < S+ 0 0 118 -4,-0.9 3,-0.1 2,-0.2 -3,-0.1 0.752 90.6 19.6 -57.0 -27.4 3.9 12.3 1.5 57 172 A M S S- 0 0 58 1,-0.4 2,-0.3 0, 0.0 -1,-0.1 0.800 145.7 -32.5-102.7 -55.0 2.6 15.2 -0.7 58 173 A D > - 0 0 17 21,-0.0 4,-2.5 22,-0.0 -1,-0.4 -0.914 54.4-116.0-163.4 145.4 -0.2 16.6 1.5 59 174 A E T 4 S+ 0 0 142 -4,-0.3 4,-0.4 -2,-0.3 -3,-0.1 0.628 119.6 42.9 -63.0 -14.2 -2.6 14.8 4.0 60 175 A T T > S+ 0 0 71 2,-0.1 4,-1.4 -5,-0.1 -1,-0.2 0.789 112.8 51.3 -95.1 -40.5 -5.6 15.8 1.7 61 176 A F H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.909 106.2 54.5 -61.3 -46.0 -3.9 14.9 -1.6 62 177 A S H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.888 105.8 51.9 -62.4 -40.3 -2.8 11.4 -0.5 63 178 A K H > S+ 0 0 135 -4,-0.4 4,-1.1 -5,-0.2 -1,-0.2 0.911 112.4 46.1 -61.6 -43.8 -6.4 10.4 0.5 64 179 A A H X S+ 0 0 19 -4,-1.4 4,-0.9 1,-0.2 3,-0.5 0.928 110.7 52.4 -66.2 -45.1 -7.7 11.4 -3.0 65 180 A A H < S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.857 110.3 49.1 -57.1 -38.1 -4.8 9.6 -4.8 66 181 A F H < S+ 0 0 53 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.727 100.3 63.9 -79.0 -22.1 -5.6 6.4 -2.9 67 182 A K H < S+ 0 0 190 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.773 95.3 81.3 -67.0 -28.9 -9.4 6.5 -3.7 68 183 A L S < S- 0 0 23 -4,-0.9 2,-0.3 -3,-0.4 19,-0.0 -0.106 71.8-136.1 -71.4 172.3 -8.5 6.2 -7.5 69 184 A K > - 0 0 137 19,-0.1 3,-2.7 4,-0.0 19,-0.3 -0.918 47.9 -72.2-128.6 150.0 -7.7 3.1 -9.6 70 185 A T T 3 S+ 0 0 61 -2,-0.3 19,-0.2 1,-0.3 3,-0.1 -0.253 124.8 18.4 -53.9 114.8 -4.8 2.9 -12.2 71 186 A G T 3 S+ 0 0 44 17,-2.5 -1,-0.3 1,-0.4 2,-0.1 -0.061 98.2 120.2 111.5 -25.2 -5.9 5.1 -15.2 72 187 A E < - 0 0 88 -3,-2.7 16,-1.8 15,-0.1 -1,-0.4 -0.412 51.1-143.8 -77.2 146.2 -8.6 7.1 -13.3 73 188 A V B -C 87 0A 56 14,-0.2 2,-0.3 -2,-0.1 14,-0.2 -0.778 11.7-138.9-110.5 151.9 -8.6 10.9 -12.9 74 189 A S - 0 0 18 12,-2.9 12,-0.3 -2,-0.3 3,-0.1 -0.810 14.2-114.6-115.3 147.9 -9.7 13.0 -9.9 75 190 A D - 0 0 114 -2,-0.3 11,-0.2 1,-0.2 9,-0.1 -0.336 60.4 -64.3 -71.6 159.8 -11.6 16.2 -9.3 76 191 A P - 0 0 33 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.077 48.2-158.1 -54.3 149.4 -9.7 19.3 -7.7 77 192 A V E -D 84 0A 18 7,-2.6 7,-2.9 -3,-0.1 2,-0.2 -0.979 10.2-137.4-137.0 115.9 -8.3 19.1 -4.1 78 193 A K E +D 83 0A 118 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.523 33.1 160.2 -70.0 138.4 -7.5 22.1 -1.9 79 194 A T - 0 0 8 3,-2.4 3,-0.2 -2,-0.2 -21,-0.0 -0.824 58.2 -86.8-142.0-179.9 -4.2 22.0 0.2 80 195 A Q S S+ 0 0 154 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.657 127.4 48.6 -64.8 -15.5 -1.8 24.4 2.0 81 196 A Y S S- 0 0 138 1,-0.2 2,-0.3 -71,-0.0 -1,-0.2 0.740 121.7 -86.2 -97.5 -30.1 0.0 24.9 -1.5 82 197 A G - 0 0 3 -3,-0.2 -3,-2.4 -5,-0.1 2,-0.5 -0.964 69.7 -27.7 159.0-144.0 -3.0 25.5 -3.8 83 198 A Y E -BD 10 78A 46 -73,-2.7 -73,-2.3 -2,-0.3 -5,-0.2 -0.961 58.7-165.3-111.6 116.1 -5.5 23.4 -5.8 84 199 A H E -BD 9 77A 8 -7,-2.9 -7,-2.6 -2,-0.5 2,-0.3 -0.630 10.3-163.1 -94.7 161.2 -4.2 20.0 -7.0 85 200 A I E -B 8 0A 0 -77,-1.6 -77,-2.1 -9,-0.2 2,-0.3 -0.978 17.4-162.3-141.3 135.7 -5.7 17.6 -9.6 86 201 A I E -B 7 0A 0 -2,-0.3 -12,-2.9 -12,-0.3 2,-0.3 -0.912 19.1-175.0-129.8 152.5 -4.6 13.9 -9.6 87 202 A K E -BC 6 73A 64 -81,-2.4 -81,-2.7 -2,-0.3 -14,-0.2 -0.962 27.4-129.2-144.7 123.0 -4.5 10.8 -11.9 88 203 A K E +B 5 0A 11 -16,-1.8 -17,-2.5 -19,-0.3 -83,-0.3 -0.551 27.4 172.9 -77.6 139.1 -3.3 7.3 -10.8 89 204 A T E + 0 0 56 -85,-2.4 2,-0.3 1,-0.3 -84,-0.2 0.576 58.9 12.9-126.8 -16.0 -0.7 5.6 -13.0 90 205 A E E B 4 0A 92 -86,-2.0 -86,-2.7 1,-0.1 -1,-0.3 -0.974 360.0 360.0-161.8 153.6 0.5 2.4 -11.2 91 206 A E 0 0 135 -2,-0.3 -89,-0.2 -88,-0.2 -1,-0.1 0.456 360.0 360.0-154.8 360.0 -0.4 0.1 -8.2