HEADER OXIDOREDUCTASE 06-SEP-00 1FQT . COMPND 2 MOLECULE: RIESKE-TYPE FERREDOXIN OF BIPHENYL DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA XENOVORANS LB400; . AUTHOR C.L.COLBERT,M.M.-J.COUTURE,L.D.ELTIS,J.T.BOLIN . 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 . 218 # 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 1 A M 0 0 219 0, 0.0 2,-0.3 0, 0.0 100,-0.0 0.000 360.0 360.0 360.0 -31.6 35.8 -19.0 23.3 35.7 -18.6 21.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9666 0.2561 -0.0028 0.2050 -0.7671 0.6079 0.1536 -0.5882 -0.7940 2 2 A K - 0 0 131 2,-0.0 101,-0.4 0, 0.0 100,-0.4 0.000 360.0-177.5-137.8 86.2 37.7 -16.3 25.2 38.2 -15.2 24.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2975 0.5476 0.7821 0.3093 -0.8303 0.4636 0.9032 0.1040 -0.4163 3 3 A F - 0 0 83 -2,-0.3 2,-0.4 98,-0.2 98,-0.2 0.000 8.2-160.3 -87.8 136.1 37.3 -16.0 29.0 36.9 -17.1 29.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3448 0.4904 0.8004 -0.2963 0.8660 -0.4029 -0.8907 -0.0983 0.4439 4 4 A T E -A 100 0A 55 96,-2.7 96,-2.5 -2,-0.3 2,-0.5 0.000 22.8-123.1-113.0 130.4 39.0 -13.2 31.0 38.9 -11.8 30.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2587 0.3372 0.9052 0.6380 -0.7632 0.1019 0.7252 0.5512 -0.4126 5 5 A R E +A 99 0A 126 -2,-0.4 94,-0.3 94,-0.2 3,-0.1 0.000 38.5 167.9 -74.7 121.8 39.6 -13.5 34.8 40.8 -14.2 35.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1769 0.5777 0.7969 -0.9842 -0.1018 -0.1447 -0.0025 -0.8099 0.5866 6 6 A V E - 0 0 31 92,-2.7 2,-0.3 -2,-0.5 -1,-0.2 0.000 49.9 -28.7-110.8 -24.5 37.9 -10.5 36.3 36.5 -10.0 35.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1367 0.6590 0.7397 0.9763 0.2160 -0.0121 -0.1677 0.7205 -0.6729 7 7 A C E -A 98 0A 4 91,-1.0 91,-2.6 13,-0.1 2,-0.4 0.000 66.9 -78.8-173.8-179.8 37.6 -10.9 40.1 36.3 -10.0 40.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0694 -0.4412 0.8947 0.9972 -0.0549 0.0503 0.0269 0.8957 0.4438 8 8 A D E > -A 97 0A 26 -2,-0.3 3,-2.2 89,-0.2 89,-0.2 0.000 40.7-122.5 -96.1 144.5 37.2 -13.3 43.0 38.0 -13.1 44.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7179 -0.5255 0.4566 -0.1013 -0.5701 -0.8153 0.6888 -0.6316 0.3560 9 9 A R G > S+ 0 0 97 87,-2.7 3,-1.4 -2,-0.4 -1,-0.1 0.000 113.0 61.9 -57.0 -29.6 33.7 -14.7 43.5 33.3 -16.1 43.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7573 0.2278 0.6121 -0.1409 0.8581 -0.4937 -0.6377 -0.4601 -0.6177 10 10 A R G 3 S+ 0 0 145 86,-0.3 -1,-0.3 1,-0.3 87,-0.1 0.000 85.9 75.7 -74.6 -6.4 33.8 -13.3 47.1 34.8 -13.7 48.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1476 0.8669 0.4761 -0.9635 -0.0173 -0.2673 -0.2235 -0.4981 0.8378 11 11 A D G < S+ 0 0 87 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.000 92.2 56.7 -78.8 -9.8 34.2 -9.7 45.6 35.1 -9.4 44.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5637 0.7932 -0.2303 -0.1801 0.1541 0.9715 0.8061 0.5891 0.0559 12 12 A V S < S- 0 0 1 -3,-1.4 -1,-0.2 -4,-0.2 3,-0.1 0.000 81.7-161.5-125.7 88.1 30.5 -9.8 44.7 30.1 -10.2 43.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9479 -0.1475 0.2822 0.0625 0.7827 0.6192 -0.3122 0.6046 -0.7327 13 13 A P > - 0 0 71 0, 0.0 3,-2.3 0, 0.0 18,-0.4 0.000 39.7 -73.8 -67.2 157.3 28.5 -10.4 47.9 28.6 -9.4 49.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9315 -0.2714 0.2422 0.1840 -0.9259 -0.3300 0.3138 -0.2629 0.9124 14 14 A E T 3 S+ 0 0 132 1,-0.3 18,-0.2 16,-0.1 3,-0.1 0.000 122.1 16.4 -53.5 131.5 24.9 -11.6 47.8 24.3 -12.6 48.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8811 0.4584 -0.1167 0.2094 0.1567 -0.9652 -0.4241 -0.8749 -0.2340 15 15 A G T 3 S+ 0 0 41 16,-2.6 -1,-0.3 1,-0.3 41,-0.2 0.000 109.8 101.7 83.0 2.6 22.6 -8.8 46.7 22.1 -8.5 48.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0028 0.9768 -0.2143 -0.2654 -0.2074 -0.9416 -0.9641 0.0543 0.2598 16 16 A E < - 0 0 112 -3,-2.3 15,-2.3 15,-0.2 2,-0.3 0.000 57.1-141.8-115.6 171.5 25.4 -6.6 45.4 26.7 -6.5 46.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4992 0.3828 -0.7773 -0.8236 0.4884 -0.2884 0.2692 0.7842 0.5591 17 17 A A E -C 30 0B 33 -2,-0.2 2,-0.4 13,-0.2 13,-0.2 0.000 6.6-162.3-130.9 157.4 26.9 -5.7 42.0 26.0 -4.8 41.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7852 0.2068 -0.5837 0.3372 -0.9334 0.1228 -0.5194 -0.2933 -0.8026 18 18 A L E -C 29 0B 52 11,-2.2 11,-2.5 -2,-0.3 2,-0.4 0.000 14.9-137.5-142.2 132.0 30.4 -5.2 40.7 31.4 -6.3 41.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6670 0.2906 -0.6860 -0.2783 0.9513 0.1324 0.6911 0.1026 0.7154 19 19 A K E +C 28 0B 74 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 0.000 24.8 178.9 -89.6 132.5 31.6 -3.4 37.6 31.6 -1.9 37.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6912 -0.0874 -0.7174 -0.4116 -0.8636 -0.2913 -0.5941 0.4966 -0.6328 20 20 A V E -C 27 0B 13 7,-2.9 7,-3.1 -2,-0.4 2,-0.3 0.000 5.2-168.2-129.7 146.5 34.4 -5.1 35.6 34.6 -6.7 35.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6120 -0.0179 -0.7906 0.4025 0.8676 0.2919 0.6808 -0.4969 0.5382 21 21 A E E +C 26 0B 124 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 0.000 14.8 167.2-141.7 152.5 35.9 -4.0 32.4 35.9 -2.4 32.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5690 -0.0349 -0.8216 -0.4674 -0.8358 -0.2882 -0.6766 0.5480 -0.4919 22 22 A S E > S-C 25 0B 46 3,-2.0 3,-1.9 -2,-0.3 -2,-0.0 0.000 71.7 -0.7-159.4 133.6 38.2 -5.1 29.6 38.3 -6.6 29.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3821 -0.0224 -0.9239 0.4786 0.8600 0.1771 0.7905 -0.5098 0.3393 23 23 A G T 3 S- 0 0 83 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.000 129.4 -55.2 59.5 24.2 39.1 -3.7 26.1 38.8 -5.0 25.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4382 0.5830 -0.6842 0.6717 0.7182 0.1817 0.5973 -0.3799 -0.7063 24 24 A G T 3 S+ 0 0 62 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.000 111.4 122.1 86.3 6.6 36.6 -0.9 26.6 36.8 -0.3 25.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9771 0.2120 -0.0201 0.0271 0.2175 0.9757 0.2112 0.9528 -0.2183 25 25 A T E < -C 22 0B 51 -3,-1.9 -3,-2.0 15,-0.0 2,-0.5 0.000 48.3-155.3-106.2 126.1 33.7 -3.2 27.4 33.6 -4.6 26.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6566 -0.2734 0.7030 -0.3921 0.9199 -0.0085 -0.6443 -0.2812 -0.7112 26 26 A S E -C 21 0B 9 -2,-0.5 15,-2.1 -5,-0.2 2,-0.4 0.000 11.5-175.0-105.5 130.6 32.0 -2.7 30.7 31.6 -1.3 31.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5979 -0.4042 0.6922 0.6701 -0.7259 0.1550 0.4398 0.5565 0.7049 27 27 A V E -CD 20 40B 0 -7,-3.1 -7,-2.9 -2,-0.5 2,-0.5 0.000 16.4-145.0-126.2 137.5 30.1 -5.6 32.4 30.7 -7.0 32.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5396 -0.3741 0.7543 -0.7462 0.6275 -0.2226 -0.3900 -0.6829 -0.6177 28 28 A A E -CD 19 39B 0 11,-2.9 11,-2.3 -2,-0.4 2,-0.5 0.000 12.6-159.0-100.3 132.2 28.0 -5.6 35.6 26.7 -4.8 35.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2726 -0.6025 0.7501 0.9514 -0.0525 0.3036 -0.1435 0.7964 0.5875 29 29 A I E -CD 18 38B 0 -11,-2.5 -11,-2.2 -2,-0.5 2,-0.4 0.000 9.6-168.2-112.5 127.1 28.2 -8.8 37.7 29.6 -9.4 38.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4383 -0.5001 0.7468 -0.8217 -0.1138 -0.5585 0.3643 -0.8585 -0.3611 30 30 A F E -CD 17 37B 1 7,-2.8 7,-2.3 -2,-0.5 2,-0.7 0.000 15.9-143.4-116.4 139.4 25.3 -9.3 40.1 23.9 -9.1 39.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3992 -0.5351 0.7445 0.7259 0.3117 0.6132 -0.5602 0.7852 0.2640 31 31 A N E - 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0 0 69 0, 0.0 3,-2.2 0, 0.0 18,-0.3 0.000 42.5 -68.5 -66.4 160.6 2.0 -9.1 6.7 0.8 -8.2 6.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0827 -0.2717 -0.9588 0.3374 -0.9129 0.2296 -0.9377 -0.3045 0.1672 123 14 B E T 3 S+ 0 0 100 1,-0.3 18,-0.2 16,-0.1 3,-0.1 0.000 123.3 14.0 -52.5 133.5 2.7 -10.2 3.2 1.9 -11.1 2.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2854 0.4890 -0.8243 0.9102 0.1312 0.3929 0.3003 -0.8624 -0.4076 124 15 B G T 3 S+ 0 0 25 16,-2.5 41,-0.3 1,-0.3 -1,-0.3 0.000 110.0 101.3 78.9 5.4 4.3 -7.4 1.2 3.0 -7.1 0.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2295 0.9720 0.0506 0.9727 -0.2272 -0.0470 -0.0342 0.0600 -0.9976 125 16 B E < - 0 0 112 -3,-2.2 15,-2.3 15,-0.1 2,-0.3 0.000 56.4-143.1-115.1 175.8 5.0 -5.3 4.2 3.9 -5.2 5.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6789 0.3740 0.6318 0.4294 0.4957 -0.7549 -0.5955 0.7838 0.1760 126 17 B A E -M 140 0F 32 13,-0.2 2,-0.3 34,-0.2 13,-0.2 0.000 6.3-163.6-138.7 158.1 8.1 -4.5 6.3 9.1 -3.7 5.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4701 0.2014 0.8593 -0.2204 -0.9160 0.3352 0.8546 -0.3470 -0.3862 127 18 B L E -M 139 0F 52 11,-2.0 11,-2.8 -2,-0.3 2,-0.4 0.000 15.2-136.6-143.5 138.6 8.9 -3.9 10.0 8.2 -5.0 10.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5995 0.2675 0.7543 -0.0481 0.9528 -0.2997 -0.7989 0.1433 0.5841 128 19 B K E +M 138 0F 70 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 0.000 22.5 177.8 -97.2 135.6 11.9 -2.4 11.7 12.2 -0.9 11.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5914 -0.1035 0.7997 0.2992 -0.8928 -0.3368 0.7488 0.4385 -0.4971 129 20 B V E -M 137 0F 16 7,-2.6 7,-3.1 -2,-0.4 2,-0.3 0.000 9.1-178.1-129.2 150.4 13.4 -4.0 14.8 13.3 -5.5 15.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7146 0.0089 0.6994 -0.3469 0.8728 0.3434 -0.6074 -0.4880 0.6268 130 21 B E E -M 136 0F 90 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 0.000 24.3-169.4-153.1 158.2 16.5 -2.8 16.6 16.6 -1.3 16.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7343 0.0636 0.6759 0.3501 -0.8885 -0.2967 0.5817 0.4544 -0.6747 131 22 B S E > S-M 135 0F 16 3,-2.1 3,-1.9 -2,-0.3 2,-0.1 0.000 72.6 -37.6-148.0 116.4 18.9 -3.3 19.5 19.3 -4.8 19.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8087 0.2454 0.5346 -0.4841 0.7940 0.3677 -0.3343 -0.5561 0.7609 132 23 B G T 3 S- 0 0 49 -2,-0.3 -1,-0.0 1,-0.3 -89,-0.0 0.000 126.6 -22.9 66.0-134.4 21.5 -0.7 20.4 22.7 -1.5 20.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5113 0.6923 -0.5092 -0.5663 0.7171 0.4064 0.6465 0.0806 0.7587 133 24 B G T 3 S+ 0 0 76 -2,-0.1 2,-0.7 -3,-0.1 -1,-0.3 0.000 115.9 102.2 -90.4 11.8 22.7 1.0 17.2 24.0 1.6 17.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0924 -0.0406 -0.9949 -0.9819 0.1693 0.0843 0.1650 0.9847 -0.0555 134 25 B T E < -M 132 0F 46 -3,-1.9 -3,-2.1 15,-0.0 2,-0.4 0.000 49.6-175.1-100.6 114.0 21.7 -2.0 15.0 22.3 -3.4 15.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6900 -0.3867 -0.6118 0.1044 0.7833 -0.6128 0.7162 -0.4867 -0.5001 135 26 B S E -M 131 0F 9 -2,-0.7 15,-2.1 -5,-0.2 2,-0.4 0.000 2.5-168.9-110.3 135.4 18.5 -1.6 13.1 18.1 -0.2 12.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6220 -0.4114 -0.6663 -0.1962 -0.7419 0.6412 -0.7580 0.5295 0.3807 136 27 B V E -MN 130 150F 0 -7,-3.1 -7,-2.6 -2,-0.4 2,-0.5 0.000 12.9-146.5-126.3 134.3 17.1 -4.4 11.0 17.2 -5.8 11.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6699 -0.3719 -0.6427 0.3646 0.5893 -0.7210 0.6468 -0.7173 -0.2592 137 28 B A E -MN 129 149F 0 11,-2.9 11,-2.4 -2,-0.4 2,-0.5 0.000 11.8-158.6 -99.1 131.7 14.3 -4.4 8.4 14.4 -3.6 7.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7042 -0.5854 -0.4018 -0.4630 -0.0504 0.8849 -0.5383 0.8092 -0.2356 138 29 B I E -MN 128 148F 0 -11,-2.8 -11,-2.0 -2,-0.5 2,-0.4 0.000 10.8-167.8-112.1 124.9 12.2 -7.5 8.1 11.6 -8.1 9.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6663 -0.4918 -0.5606 0.6873 -0.1134 -0.7174 0.2892 -0.8633 0.4136 139 30 B F E -MN 127 147F 1 7,-3.0 7,-2.3 -2,-0.5 2,-0.7 0.000 15.9-142.5-114.9 142.0 10.3 -8.0 4.8 11.1 -7.7 3.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6801 -0.5007 -0.5354 -0.7189 0.3128 0.6207 -0.1433 0.8071 -0.5727 140 31 B N E - 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