HEADER HYDROLASE 29-JAN-02 1KWF . COMPND 2 MOLECULE: ENDOGLUCANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM THERMOCELLUM; . AUTHOR D.M.A.GUERIN,M.-B.LASCOMBE,M.COSTABEL,H.SOUCHON,V.LAMZIN, . flagSetFrame DONE ==== Generated by WOLFc v1.01 (last modified 28.04.2002) . ==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-NOV-2009 . ==== REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . 363 # 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 X-CB Y-CB Z-CB N-H.O=C C=O.H-N N-H.O=C C=O.H-N N-H.O=C C=O.H-N X1 Y1 Z1 X2 Y2 Z2 X3 Y3 Z3 1 33 A A 0 0 86 0, 0.0 4,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 136.2 8.4 14.1 49.8 9.6 13.5 49.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0591 0.7935 -0.6057 -0.2836 0.5951 0.7519 0.9571 0.1273 0.2602 2 34 A G + 0 0 7 361,-0.2 73,-0.2 3,-0.1 72,-0.1 0.000 360.0 56.5 78.8-159.1 7.4 17.3 48.0 7.5 16.8 46.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8074 0.5313 -0.2565 0.2764 0.7247 0.6312 0.5213 0.4387 -0.7319 3 35 A V S S+ 0 0 11 71,-2.9 352,-0.1 1,-0.2 2,-0.0 0.000 107.9 36.8 -53.6 128.8 3.9 18.6 47.4 3.3 19.2 46.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9176 -0.2815 0.2807 0.2057 0.2680 0.9412 -0.3402 0.9214 -0.1880 4 36 A P S S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 351,-0.1 0.000 76.0 173.4 -78.7 128.3 2.2 18.9 49.9 0.9 18.8 50.6 0 0.0 0 0.0 0 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226 258 A P - 0 0 0 0, 0.0 -44,-0.3 0, 0.0 17,-0.2 0.000 21.0-120.6 -75.4 157.7 11.7 47.8 34.1 12.8 48.8 33.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2428 -0.6433 -0.7261 -0.9601 -0.2666 -0.0849 -0.1390 0.7177 -0.6823 227 259 A D S S+ 0 0 4 15,-2.2 -45,-0.4 1,-0.2 2,-0.3 0.000 99.6 8.3 -56.7 -44.5 12.4 44.7 32.0 12.0 44.5 30.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8395 -0.5121 -0.1814 -0.0398 -0.3910 0.9195 -0.5418 -0.7647 -0.3487 228 260 A W S S+ 0 0 24 12,-1.6 8,-0.5 -48,-0.2 2,-0.3 0.000 74.6 152.6-139.9 148.2 16.0 46.0 31.7 16.5 45.8 30.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7468 0.6397 0.1821 0.0767 -0.3548 0.9318 0.6606 -0.6819 -0.3140 229 261 A C B -H 179 0G 0 -50,-2.2 -50,-2.7 -2,-0.3 2,-0.1 0.000 39.6 -98.8-162.0 171.2 18.0 48.8 33.2 17.3 49.3 34.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8168 0.5039 0.2810 0.2050 0.2017 -0.9577 -0.5393 0.8399 0.0615 230 262 A T > - 0 0 21 4,-2.6 3,-2.2 -2,-0.3 -53,-0.2 0.000 49.1 -95.2 -82.6 175.3 21.5 50.0 34.2 22.1 51.3 33.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5828 -0.0422 0.8115 0.0864 -0.9898 -0.1135 0.8080 0.1363 -0.5732 231 263 A A T 3 S+ 0 0 16 -55,-2.8 -17,-0.2 1,-0.3 -54,-0.1 0.000 128.3 60.4 -66.2 -14.9 22.9 49.7 37.7 24.4 49.4 38.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1239 0.5073 0.8528 -0.9289 -0.3615 0.0801 0.3489 -0.7823 0.5160 232 264 A S T 3 S- 0 0 72 -56,-0.4 -1,-0.3 2,-0.1 -55,-0.1 0.000 119.1-112.9 -90.0 6.3 21.7 53.3 38.1 22.4 54.5 37.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8398 0.5240 0.1421 -0.1018 -0.4090 0.9069 0.5333 0.7471 0.3968 233 265 A G S < S+ 0 0 0 -3,-2.2 -2,-0.1 1,-0.2 -15,-0.1 0.000 78.1 125.4 72.8 13.2 18.2 52.2 37.4 17.6 52.8 38.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8034 0.2858 -0.5224 0.0713 -0.8248 -0.5608 -0.5912 -0.4878 0.6423 234 266 A T S S- 0 0 45 1,-0.2 -4,-2.6 -8,-0.0 -1,-0.2 0.000 70.7 -64.9 -99.6 168.0 18.1 54.1 34.1 19.1 55.2 33.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1922 -0.0688 -0.9789 -0.9675 -0.1538 0.2008 -0.1644 0.9857 -0.0370 235 267 A P - 0 0 78 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 0.000 41.1-135.7 -59.4 143.3 17.2 52.7 30.6 16.6 53.6 29.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4388 -0.6183 -0.6521 -0.1358 -0.7630 0.6320 -0.8883 -0.1888 -0.4187 236 268 A A > - 0 0 3 -8,-0.5 3,-2.0 3,-0.2 -58,-0.1 0.000 38.2-101.4 -93.6 130.3 19.5 50.1 29.1 19.4 48.7 29.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3324 -0.2359 -0.9132 0.5547 0.8319 -0.0130 0.7627 -0.5023 0.4074 237 269 A S T 3 S+ 0 0 127 -2,-0.5 3,-0.1 -60,-0.3 -1,-0.1 0.000 99.9 2.5 -61.8 134.4 20.0 51.0 25.4 21.3 51.5 24.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2986 -0.3266 -0.8967 -0.9420 0.2515 0.2221 0.1530 0.9111 -0.3828 238 270 A G T 3 S+ 0 0 81 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.000 111.9 103.2 75.2 4.0 18.0 49.1 22.9 19.1 48.4 22.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5506 -0.8311 -0.0784 -0.8148 0.5554 -0.1660 0.1815 -0.0275 -0.9830 239 271 A Q S < S- 0 0 70 -3,-2.0 -3,-0.2 -11,-0.1 -1,-0.2 0.000 81.2 -90.9-125.0 146.5 16.1 47.2 25.7 17.1 46.7 26.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7889 -0.1381 0.5988 -0.5632 -0.2272 -0.7945 0.2458 -0.9640 0.1015 240 272 A S - 0 0 28 -2,-0.3 -12,-1.6 1,-0.1 -4,-0.1 0.000 27.2-173.9 -55.7 131.8 12.7 47.6 27.2 11.7 46.5 27.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3615 0.4119 0.8364 0.1672 0.9112 -0.3765 -0.9172 0.0037 -0.3983 241 273 A Y + 0 0 47 -14,-0.2 50,-0.4 -15,-0.1 2,-0.2 0.000 59.4 97.0-104.0 9.4 12.4 49.9 30.1 12.9 51.4 30.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5777 0.2226 0.7853 0.2079 -0.8903 0.4052 0.7894 0.3973 0.4680 242 274 A D S S- 0 0 49 48,-0.1 -15,-2.2 -16,-0.1 2,-1.0 0.000 87.2-102.8 -96.6 165.4 8.8 49.0 30.6 7.8 49.0 29.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6101 -0.5867 0.5324 0.2534 0.4922 0.8328 -0.7507 0.6431 -0.1516 243 275 A Y B S+I 289 0H 2 46,-3.0 46,-2.0 -17,-0.2 2,-0.1 0.000 70.6 128.1 -88.2 98.4 7.2 46.4 33.0 6.3 46.8 34.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4767 -0.8765 -0.0674 0.8495 -0.4396 -0.2919 0.2262 -0.1964 0.9541 244 276 A K S > S- 0 0 78 -2,-1.0 4,-2.1 44,-0.2 44,-0.1 0.000 72.7 -35.9-131.9-142.5 6.4 43.5 30.6 6.7 43.8 29.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1113 -0.9721 -0.2064 -0.7592 -0.0509 0.6489 -0.6413 0.2289 -0.7324 245 277 A Y T 4 S+ 0 0 83 1,-0.2 4,-0.1 2,-0.2 -2,-0.1 0.000 134.7 43.7 -76.0 -9.3 7.1 39.8 30.3 6.8 38.9 29.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5380 -0.7449 0.3945 -0.3757 0.2071 0.9033 -0.7546 -0.6342 -0.1684 246 278 A D T >4 S+ 0 0 42 2,-0.1 3,-2.2 3,-0.0 4,-0.2 0.000 113.3 48.1 -80.7 -63.0 10.5 40.0 32.0 11.8 40.7 31.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3119 0.0687 0.9476 -0.3760 -0.9070 0.1896 0.8725 -0.4154 -0.2571 247 279 A A G >4 S+ 0 0 0 -5,-0.3 3,-2.3 1,-0.3 4,-0.5 0.000 92.3 79.1 -53.7 -30.2 9.7 42.4 34.8 9.3 43.8 34.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5097 0.0004 0.8604 0.6885 -0.5995 0.4082 0.5160 0.8004 0.3053 248 280 A T G >< S+ 0 0 0 -4,-2.1 3,-0.5 1,-0.3 4,-0.4 0.000 87.5 59.8 -48.9 -32.9 6.6 40.4 35.8 5.6 39.7 34.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2010 -0.6537 0.7295 0.0204 0.7418 0.6703 -0.9794 0.1497 -0.1358 249 281 A R G <> S+ 0 0 3 -3,-2.2 4,-2.3 1,-0.2 3,-0.5 0.000 82.3 83.7 -74.0 -16.0 8.8 37.9 37.6 9.8 37.0 36.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4397 -0.1387 0.8874 -0.8969 -0.0157 0.4419 -0.0474 -0.9902 -0.1312 250 282 A Y H <> S+ 0 0 7 -3,-2.3 4,-2.5 1,-0.2 5,-0.3 0.000 87.6 51.4 -56.6 -46.8 10.3 40.4 40.0 10.5 41.9 39.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0472 0.1691 0.9845 0.4871 -0.8565 0.1704 0.8721 0.4876 -0.0420 251 283 A G H <> S+ 0 0 0 -3,-0.5 4,-2.0 -4,-0.5 -1,-0.2 0.000 110.9 49.6 -63.0 -32.2 7.5 40.3 42.5 6.1 40.7 42.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2930 -0.6066 0.7391 0.8211 0.2365 0.5196 -0.4899 0.7591 0.4287 252 284 A W H > S+ 0 0 1 -3,-0.5 4,-1.8 -4,-0.4 -2,-0.2 0.000 113.8 42.2 -66.0 -57.6 7.7 36.5 42.7 7.5 35.6 41.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5952 -0.6599 0.4586 -0.3868 0.2650 0.8833 -0.7043 -0.7031 -0.0975 253 285 A R H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 -66,-0.4 0.000 118.5 47.8 -59.7 -37.8 11.4 36.2 43.2 12.6 36.5 42.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6055 0.2048 0.7691 -0.4226 -0.7361 0.5287 0.6744 -0.6452 -0.3591 254 286 A T H >X S+ 0 0 0 -4,-2.5 4,-1.2 -5,-0.3 3,-0.7 0.000 106.2 54.6 -72.5 -41.6 11.3 39.1 45.7 11.1 40.6 45.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2604 0.1743 0.9497 0.7204 -0.6199 0.3112 0.6429 0.7651 0.0359 255 287 A A H 3X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 3,-0.5 0.000 100.7 61.6 -61.3 -37.3 8.4 37.9 47.8 7.0 37.6 47.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1096 -0.6579 0.7451 0.5263 0.5975 0.6050 -0.8432 0.4584 0.2808 256 288 A V H 3X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 5,-0.4 0.000 98.1 57.7 -56.3 -38.0 10.2 34.6 48.4 10.8 33.7 47.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6722 -0.3112 0.6718 -0.6971 0.0398 0.7159 -0.2495 -0.9495 -0.1902 257 289 A D H - 0 0 18 -6,-1.3 4,-1.8 1,-0.2 -1,-0.2 0.000 19.4-158.7 -65.9 119.3 13.8 40.6 54.3 14.5 40.3 53.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1109 0.9611 -0.2529 0.1825 0.2698 0.9455 0.9769 0.0587 -0.2053 264 296 A Q H > S+ 0 0 126 -2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.000 91.2 59.2 -75.2 -22.1 12.2 44.0 55.0 12.4 44.8 56.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3303 0.7965 -0.5065 -0.6873 -0.5707 -0.4493 -0.6469 0.1997 0.7359 265 297 A R H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.000 105.6 50.1 -66.5 -41.8 13.5 45.4 51.7 14.9 45.4 51.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3640 -0.0106 -0.9313 -0.7367 0.6150 0.2809 0.5698 0.7884 -0.2317 266 298 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.000 111.6 47.7 -60.5 -47.8 11.5 42.6 49.9 11.7 41.1 50.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9627 -0.1605 -0.2176 0.0367 0.7197 -0.6933 0.2679 -0.6755 -0.6870 267 299 A K H X S+ 0 0 46 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.000 110.9 50.6 -60.4 -45.5 8.4 43.4 51.8 8.1 43.3 53.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6825 0.7280 -0.0649 -0.2916 -0.3526 -0.8892 -0.6702 -0.5880 0.4529 268 300 A A H X S+ 0 0 48 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.000 115.2 43.3 -58.3 -44.3 8.7 47.1 51.1 9.8 48.1 51.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2344 0.5640 -0.7918 -0.9705 -0.1833 0.1567 -0.0568 0.8052 0.5903 269 301 A N H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.000 116.4 45.8 -69.3 -44.7 9.1 46.5 47.4 10.3 45.9 46.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5619 -0.2734 -0.7807 -0.5181 0.8521 0.0744 0.6449 0.4463 -0.6204 270 302 A C H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.000 109.8 54.5 -69.2 -35.7 6.4 43.9 47.1 6.4 42.4 47.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9993 -0.0331 0.0182 -0.0330 0.5293 -0.8478 0.0185 -0.8478 -0.5301 271 303 A D H X S+ 0 0 34 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.000 108.8 49.3 -61.3 -42.1 3.9 45.9 49.1 4.0 46.5 50.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6111 0.7550 -0.2377 -0.5534 -0.6223 -0.5537 -0.5659 -0.2068 0.7981 272 304 A M H X S+ 0 0 55 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.000 113.4 46.2 -60.8 -48.0 4.4 48.8 46.7 5.7 49.6 46.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3525 0.2262 -0.9081 -0.9165 0.1124 0.3838 0.1889 0.9676 0.1677 273 305 A L H X S+ 0 0 2 -4,-2.0 4,-2.0 -50,-0.3 -2,-0.2 0.000 113.6 48.1 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