==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 07-DEC-99 1DKD . COMPND 2 MOLECULE: GROEL; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.CHEN,P.B.SIGLER . 629 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 469 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 16.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 52 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.2 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 0 0 1 3 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 2 4 0 2 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 . 6 8 3 5 4 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 . 6 0 6 0 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 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 1 191 A E 0 0 84 0, 0.0 144,-3.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 157.6 67.4 73.3 27.8 2 192 A G - 0 0 52 142,-0.2 2,-0.3 141,-0.2 141,-0.2 -0.828 360.0-167.3-124.4 163.8 66.1 70.3 29.7 3 193 A M E -A 142 0A 63 139,-1.8 139,-3.3 -2,-0.3 2,-0.3 -0.966 3.3-163.3-146.0 160.2 64.7 69.6 33.2 4 194 A Q E +A 141 0A 121 -2,-0.3 2,-0.3 137,-0.2 137,-0.2 -0.991 9.7 173.4-148.8 138.3 63.9 66.6 35.4 5 195 A F E -A 140 0A 14 135,-1.8 2,-1.9 -2,-0.3 135,-1.9 -0.968 42.5 -99.1-142.8 159.4 61.8 66.1 38.5 6 196 A D S S+ 0 0 120 -2,-0.3 2,-0.4 133,-0.2 133,-0.2 -0.448 78.2 110.7 -80.6 70.3 60.5 63.3 40.7 7 197 A R - 0 0 59 -2,-1.9 129,-0.2 82,-0.1 -2,-0.2 -0.965 47.5-162.6-142.9 120.6 57.0 62.7 39.4 8 198 A G - 0 0 15 129,-0.4 79,-0.5 -2,-0.4 129,-0.2 -0.368 39.3 -58.8 -97.0 179.3 56.2 59.6 37.5 9 199 A Y - 0 0 31 127,-1.7 77,-0.2 130,-0.2 -1,-0.2 -0.227 37.2-136.9 -58.7 143.9 53.3 58.7 35.2 10 200 A L S S+ 0 0 44 75,-2.6 -1,-0.2 1,-0.2 76,-0.1 0.615 92.0 22.5 -77.4 -10.1 49.8 58.9 36.7 11 201 A S > - 0 0 13 74,-0.3 3,-1.8 1,-0.1 4,-0.2 -0.951 66.8-137.6-157.0 133.7 49.0 55.6 35.0 12 202 A P G > S+ 0 0 56 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.652 100.5 76.3 -64.9 -10.8 51.1 52.7 33.7 13 203 A Y G 3 S+ 0 0 52 1,-0.2 382,-0.0 382,-0.1 63,-0.0 0.462 80.3 67.0 -79.6 -0.7 48.7 52.7 30.7 14 204 A F G < S+ 0 0 5 -3,-1.8 -1,-0.2 71,-0.1 2,-0.0 0.591 76.1 115.1 -88.9 -14.3 50.5 55.8 29.3 15 205 A I < + 0 0 22 -3,-1.1 8,-0.3 -4,-0.2 121,-0.1 -0.331 35.3 171.2 -57.7 130.6 53.5 53.6 28.8 16 206 A N + 0 0 47 6,-1.5 7,-0.2 1,-0.2 -1,-0.1 0.196 67.2 65.4-127.0 12.2 54.4 53.2 25.1 17 207 A K B >>> +D 22 0B 85 5,-1.3 4,-2.6 1,-0.1 5,-1.3 -0.659 61.3 178.4-135.0 73.9 57.7 51.4 25.4 18 208 A P T 345S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 322,-0.1 0.874 74.4 59.8 -41.7 -58.6 56.8 48.0 27.0 19 209 A E T 345S+ 0 0 119 1,-0.2 -2,-0.0 2,-0.1 321,-0.0 0.890 122.3 23.5 -41.8 -53.8 60.3 46.6 27.1 20 210 A T T <45S- 0 0 100 -3,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.657 101.9-126.8 -90.8 -17.7 61.6 49.4 29.3 21 211 A G T <5 + 0 0 6 -4,-2.6 2,-0.2 1,-0.2 116,-0.2 0.844 64.8 127.8 75.0 33.6 58.3 50.4 30.9 22 212 A A B < -D 17 0B 11 -5,-1.3 -6,-1.5 114,-0.1 -5,-1.3 -0.732 57.7-127.1-120.5 169.5 58.7 54.0 29.9 23 213 A V E -B 135 0A 1 112,-2.9 112,-2.6 -8,-0.3 2,-0.4 -0.969 25.3-178.3-114.8 128.5 56.7 56.8 28.2 24 214 A E E -B 134 0A 40 -2,-0.5 2,-0.4 110,-0.2 110,-0.2 -0.960 3.1-174.8-133.1 115.4 58.4 58.6 25.3 25 215 A L E -B 133 0A 2 108,-2.1 108,-1.9 -2,-0.4 2,-0.5 -0.905 15.0-145.2-108.9 137.0 56.7 61.4 23.5 26 216 A E E S-B 132 0A 116 -2,-0.4 106,-0.2 1,-0.2 105,-0.1 -0.880 74.2 -16.0-106.0 129.9 58.3 63.1 20.5 27 217 A S S S+ 0 0 56 104,-3.0 -1,-0.2 -2,-0.5 104,-0.2 0.925 93.8 175.5 46.1 55.2 57.9 66.8 19.8 28 218 A P - 0 0 0 0, 0.0 102,-0.9 0, 0.0 2,-0.3 -0.423 34.0-119.1 -91.4 166.7 55.0 67.1 22.1 29 219 A F E -eF 57 129C 14 27,-2.6 29,-2.5 100,-0.2 2,-0.5 -0.706 28.0-142.5 -93.6 154.4 52.9 69.9 23.4 30 220 A I E -eF 58 128C 0 98,-2.1 98,-2.7 -2,-0.3 2,-0.5 -0.970 8.3-160.0-127.7 119.1 52.9 70.6 27.1 31 221 A L E -e 59 0C 0 27,-2.8 29,-2.6 -2,-0.5 2,-0.6 -0.842 5.6-164.6 -98.1 130.2 49.9 71.7 29.1 32 222 A L E +e 60 0C 1 -2,-0.5 79,-3.3 77,-0.5 2,-0.4 -0.952 13.3 173.3-118.2 111.0 50.6 73.3 32.5 33 223 A A B -h 111 0D 1 27,-2.7 29,-0.2 -2,-0.6 79,-0.2 -0.967 28.4-156.9-122.8 134.5 47.6 73.5 34.8 34 224 A D S S+ 0 0 30 77,-1.3 2,-0.3 -2,-0.4 27,-0.1 0.116 74.6 73.0 -93.3 22.1 47.6 74.7 38.5 35 225 A K S S- 0 0 44 76,-0.1 27,-2.2 28,-0.1 28,-0.8 -0.792 87.6 -98.9-129.6 173.5 44.4 72.8 39.2 36 226 A K E -i 63 0E 102 -2,-0.3 2,-0.6 26,-0.3 28,-0.2 -0.801 33.8-145.9 -93.3 129.7 43.1 69.2 39.7 37 227 A I E +i 64 0E 4 26,-2.9 28,-2.3 -2,-0.5 32,-0.2 -0.878 40.4 142.0-103.3 115.7 41.5 67.8 36.5 38 228 A S + 0 0 54 -2,-0.6 30,-1.5 1,-0.2 2,-0.6 0.611 61.1 58.2-121.5 -27.1 38.6 65.4 37.2 39 229 A N > - 0 0 60 28,-0.2 3,-0.6 1,-0.1 -1,-0.2 -0.947 63.8-157.1-112.5 121.4 36.1 66.2 34.5 40 230 A I G >> S+ 0 0 1 -2,-0.6 3,-3.0 1,-0.2 4,-1.1 0.755 77.6 85.0 -66.8 -27.4 37.3 65.8 30.9 41 231 A R G >4 S+ 0 0 100 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.878 86.9 52.7 -40.9 -54.8 34.7 68.2 29.4 42 232 A E G <4 S+ 0 0 39 -3,-0.6 -1,-0.3 1,-0.2 4,-0.3 0.584 109.7 53.3 -62.3 -7.9 36.8 71.3 30.1 43 233 A M G <> S+ 0 0 1 -3,-3.0 4,-2.5 -4,-0.1 3,-0.3 0.711 80.5 89.3 -98.3 -27.5 39.7 69.5 28.3 44 234 A L H S+ 0 0 56 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.949 113.7 39.4 -53.1 -55.1 38.9 71.8 23.2 46 236 A V H > S+ 0 0 2 -3,-0.3 4,-2.2 -4,-0.3 5,-0.2 0.896 116.6 52.4 -62.5 -40.5 42.7 71.6 23.8 47 237 A L H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.928 110.8 46.5 -61.2 -47.4 42.6 67.9 23.2 48 238 A E H X S+ 0 0 92 -4,-3.2 4,-3.2 -5,-0.2 5,-0.3 0.948 112.2 50.2 -60.8 -48.5 40.9 68.3 19.8 49 239 A A H X S+ 0 0 38 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.879 115.1 43.6 -58.3 -39.2 43.2 71.1 18.7 50 240 A V H X>S+ 0 0 5 -4,-2.2 5,-1.6 2,-0.2 4,-0.6 0.894 113.6 50.2 -74.3 -40.2 46.3 69.0 19.7 51 241 A A H ><5S+ 0 0 29 -4,-2.9 3,-1.5 1,-0.2 -2,-0.2 0.946 111.0 48.9 -61.8 -48.4 44.9 65.8 18.1 52 242 A K H 3<5S+ 0 0 87 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.850 107.7 56.9 -59.8 -33.8 44.1 67.6 14.9 53 243 A A H 3<5S- 0 0 52 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.602 109.5-125.8 -74.1 -13.1 47.6 69.0 15.0 54 244 A G T <<5 + 0 0 66 -3,-1.5 -3,-0.2 -4,-0.6 -2,-0.1 0.759 65.2 124.0 75.1 25.7 49.1 65.6 15.1 55 245 A K < - 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