==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 27-MAR-02 1LA1 . COMPND 2 MOLECULE: GROEL; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.E.ASHCROFT,A.BRINKER,J.E.COYLE,F.WEBER,M.KAISER,L.MORODER, . 192 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 80.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0.5 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 . 17 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 188 A D 0 0 215 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.4 26.2 0.3 13.2 2 189 A V - 0 0 124 1,-0.1 2,-0.5 184,-0.0 185,-0.0 -0.176 360.0-117.8 -53.4 148.9 22.5 -0.2 13.9 3 190 A V - 0 0 70 180,-0.1 2,-1.0 1,-0.0 -1,-0.1 -0.806 23.1-146.7 -94.4 124.6 20.9 1.4 17.0 4 191 A E - 0 0 170 -2,-0.5 184,-0.1 1,-0.1 183,-0.1 -0.782 60.3 -37.1 -99.1 86.5 19.6 -1.4 19.3 5 192 A G S S- 0 0 7 182,-1.7 2,-0.9 -2,-1.0 183,-0.4 0.059 82.5 -67.8 79.8 156.5 16.4 0.1 21.0 6 193 A M E -A 145 0A 6 139,-3.1 139,-2.8 181,-0.3 2,-0.4 -0.818 59.1-174.6 -82.7 120.6 15.6 3.5 22.1 7 194 A Q E -A 144 0A 104 -2,-0.9 2,-0.3 137,-0.2 137,-0.2 -0.897 8.0-175.5-122.3 139.5 17.8 4.2 25.1 8 195 A F E -A 143 0A 4 135,-2.5 135,-1.9 -2,-0.4 2,-1.0 -0.876 35.9-107.2-132.7 158.6 17.8 7.2 27.4 9 196 A D S S+ 0 0 112 -2,-0.3 2,-0.4 133,-0.2 133,-0.2 -0.153 83.8 92.5 -85.6 42.5 20.0 8.4 30.3 10 197 A R - 0 0 72 -2,-1.0 -2,-0.2 133,-0.1 131,-0.2 -1.000 52.8-167.6-133.0 133.2 17.7 7.7 33.3 11 198 A G - 0 0 12 129,-0.6 79,-0.6 -2,-0.4 129,-0.2 -0.230 41.9 -41.8-108.8-170.1 17.7 4.5 35.3 12 199 A Y B -D 89 0B 40 127,-1.6 -1,-0.2 130,-0.2 77,-0.2 -0.235 39.3-142.1 -59.5 144.1 15.4 2.9 37.9 13 200 A L S S+ 0 0 43 75,-2.5 -1,-0.2 1,-0.2 76,-0.1 0.604 90.2 26.5 -82.8 -5.4 14.0 5.2 40.7 14 201 A S > - 0 0 11 74,-0.4 3,-2.2 1,-0.1 4,-0.3 -0.891 67.8-138.1-152.2 140.9 14.5 2.4 43.1 15 202 A P G > S+ 0 0 77 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.765 99.5 75.2 -68.9 -11.2 16.8 -0.7 43.3 16 203 A Y G 3 S+ 0 0 137 1,-0.3 -3,-0.0 -3,-0.1 -4,-0.0 0.648 81.4 66.6 -80.6 2.3 13.8 -2.7 44.4 17 204 A F G < S+ 0 0 5 -3,-2.2 -1,-0.3 71,-0.1 69,-0.0 0.649 74.0 116.5 -87.8 -15.3 12.4 -2.7 40.9 18 205 A I < + 0 0 46 -3,-1.6 8,-0.3 -4,-0.3 121,-0.1 -0.355 34.6 170.9 -55.3 127.4 15.3 -4.9 39.9 19 206 A N + 0 0 40 6,-1.7 7,-0.2 1,-0.1 -1,-0.2 0.213 69.3 61.6-123.6 11.1 14.0 -8.3 38.8 20 207 A K B >> +I 25 0C 93 5,-1.6 4,-1.6 1,-0.1 5,-1.5 -0.825 65.2 177.9-133.5 78.7 17.3 -9.7 37.4 21 208 A P T 45S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.866 72.8 59.6 -59.9 -32.5 19.4 -9.7 40.5 22 209 A E T 45S+ 0 0 197 1,-0.2 -2,-0.0 -3,-0.1 0, 0.0 0.874 118.4 29.4 -69.8 -26.6 22.5 -11.2 38.9 23 210 A T T 45S- 0 0 107 -3,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.498 106.1-122.0-109.2 -3.8 22.8 -8.4 36.4 24 211 A G T <5 + 0 0 24 -4,-1.6 2,-0.3 1,-0.2 116,-0.2 0.813 68.4 125.5 73.9 29.7 21.3 -5.6 38.5 25 212 A A B < -I 20 0C 7 -5,-1.5 -6,-1.7 114,-0.1 -5,-1.6 -0.859 61.9-129.2-123.1 162.3 18.5 -4.9 36.0 26 213 A V E -B 138 0A 1 112,-3.1 112,-2.5 -2,-0.3 2,-0.5 -0.900 26.1-174.3 -97.0 128.1 14.8 -4.6 35.5 27 214 A E E -B 137 0A 58 -2,-0.5 2,-0.5 110,-0.2 110,-0.2 -0.958 1.8-173.2-123.9 117.3 13.6 -6.6 32.5 28 215 A L E -B 136 0A 3 108,-2.6 108,-1.8 -2,-0.5 2,-0.5 -0.928 13.3-145.9-111.4 134.3 10.0 -6.2 31.6 29 216 A E E S-B 135 0A 84 -2,-0.5 106,-0.2 1,-0.2 105,-0.1 -0.849 75.7 -18.3-103.8 125.9 8.4 -8.3 28.9 30 217 A S S S- 0 0 32 104,-3.2 -1,-0.2 -2,-0.5 104,-0.2 0.859 91.0-176.9 51.6 44.1 5.7 -6.7 26.8 31 218 A P - 0 0 0 0, 0.0 102,-1.2 0, 0.0 2,-0.3 -0.317 29.2-126.4 -72.4 153.7 5.1 -3.9 29.2 32 219 A F E -eF 60 132B 10 27,-2.7 29,-2.6 100,-0.2 2,-0.4 -0.692 28.4-145.3 -84.2 152.6 2.5 -1.1 29.0 33 220 A I E -eF 61 131B 0 98,-2.2 98,-2.6 -2,-0.3 2,-0.5 -0.975 7.5-157.1-130.7 113.0 4.2 2.3 29.4 34 221 A L E -e 62 0B 0 27,-2.6 29,-3.3 -2,-0.4 2,-0.5 -0.814 10.8-165.9 -90.5 120.2 2.6 5.3 31.2 35 222 A L E +e 63 0B 1 -2,-0.5 79,-2.9 77,-0.5 2,-0.4 -0.977 13.1 172.2-107.5 126.3 4.0 8.7 30.1 36 223 A A E -eg 64 114B 0 27,-2.1 29,-0.7 -2,-0.5 55,-0.2 -0.990 34.8-146.7-142.8 139.3 3.2 11.7 32.3 37 224 A D E S+ 0 0 30 77,-2.1 2,-0.3 -2,-0.4 27,-0.1 0.143 78.9 64.7 -89.0 23.0 4.4 15.3 32.3 38 225 A K E S- 0 0 28 76,-0.2 27,-1.1 28,-0.1 28,-0.8 -0.926 89.7 -92.8-138.5 173.1 4.2 15.6 36.1 39 226 A K E -e 66 0B 91 -2,-0.3 2,-0.6 26,-0.2 28,-0.2 -0.675 39.6-145.9 -88.6 128.9 5.6 14.4 39.4 40 227 A I E +e 67 0B 0 26,-2.9 28,-2.5 -2,-0.4 32,-0.2 -0.918 43.1 137.4 -99.0 118.4 3.4 11.5 40.6 41 228 A S + 0 0 52 -2,-0.6 30,-1.9 26,-0.2 2,-0.6 0.581 46.3 84.8-134.0 -19.8 3.1 11.3 44.4 42 229 A N > - 0 0 61 28,-0.2 4,-0.7 1,-0.2 3,-0.2 -0.714 57.2-161.7 -93.3 111.6 -0.6 10.5 45.2 43 230 A I H >> S+ 0 0 16 -2,-0.6 3,-1.1 2,-0.2 4,-0.6 0.868 88.5 63.2 -65.2 -32.8 -1.1 6.7 45.0 44 231 A R H >4 S+ 0 0 171 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.931 95.4 59.7 -66.7 -22.9 -4.9 7.1 44.6 45 232 A E H 34 S+ 0 0 30 1,-0.3 4,-0.3 -3,-0.2 -1,-0.3 0.755 104.5 51.0 -72.9 -23.7 -4.3 9.0 41.3 46 233 A M H S+ 0 0 48 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.958 115.6 42.6 -59.1 -46.1 -7.2 3.3 37.5 49 236 A V H > S+ 0 0 0 -4,-0.3 4,-2.3 73,-0.2 5,-0.2 0.924 113.9 49.4 -64.0 -46.6 -4.0 2.7 35.6 50 237 A L H X S+ 0 0 28 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.916 112.6 50.3 -59.9 -37.5 -2.7 0.1 38.0 51 238 A E H X S+ 0 0 125 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.915 109.5 48.9 -65.9 -46.4 -6.0 -1.7 37.8 52 239 A A H X S+ 0 0 21 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.869 111.9 49.3 -59.3 -43.1 -6.2 -1.7 34.0 53 240 A V H X>S+ 0 0 9 -4,-2.3 5,-1.6 -5,-0.2 4,-0.7 0.883 108.7 53.1 -64.3 -44.7 -2.6 -3.0 33.7 54 241 A A H ><5S+ 0 0 73 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.931 108.9 49.1 -59.2 -37.3 -3.4 -5.8 36.2 55 242 A K H 3<5S+ 0 0 178 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.826 109.2 51.9 -70.4 -44.1 -6.4 -7.0 34.3 56 243 A A H 3<5S- 0 0 42 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.605 107.8-130.7 -64.8 -13.6 -4.4 -7.0 31.0 57 244 A G T <<5 + 0 0 58 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.828 63.5 123.4 70.4 26.3 -1.8 -9.1 32.8 58 245 A K < - 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