HEADER BIOSYNTHETIC PROTEIN 15-JAN-08 3BY5 . COMPND 2 MOLECULE: COBALAMIN BIOSYNTHESIS PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS STR. C58; . AUTHOR Y.PATSKOVSKY,J.B.BONANNO,S.SOJITRA,M.RUTTER,M.IIZUKA, . 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 . 123 # 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 8 A V 0 0 84 0, 0.0 120,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 129.0 -4.9 15.0 55.2 -4.9 15.7 53.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8864 0.3991 0.2347 0.2602 -0.8486 0.4606 0.3830 -0.3472 -0.8560 2 9 A T E -A 120 0A 9 29,-0.3 31,-2.2 118,-0.2 32,-0.9 0.000 360.0-164.2-123.6 125.9 -2.0 15.8 57.6 -2.0 15.0 58.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9186 0.3471 0.1887 -0.2730 0.9029 -0.3319 -0.2856 0.2534 0.9243 3 10 A V E -Ab 119 34A 2 116,-2.6 116,-2.9 -2,-0.4 2,-0.6 0.000 7.9-152.3-110.9 132.7 1.1 17.9 56.7 0.8 19.3 55.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9109 0.3300 0.2476 0.3606 -0.9285 -0.0891 0.2005 0.1704 -0.9648 4 11 A A E -Ab 118 35A 0 30,-2.5 32,-2.1 -2,-0.4 2,-0.4 0.000 11.1-150.3-105.4 115.2 4.4 18.1 58.6 5.1 16.9 59.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8091 0.5693 0.1457 -0.5811 0.7382 0.3425 0.0874 -0.3618 0.9282 5 12 A G E -Ab 117 36A 0 112,-3.2 112,-2.3 -2,-0.6 2,-0.5 0.000 16.9-153.3 -81.1 128.8 6.3 21.4 58.3 5.7 22.7 58.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9349 0.3373 0.1103 0.2870 -0.5360 -0.7939 -0.2087 0.7739 -0.5980 6 13 A I E +Ab 116 37A 1 30,-3.5 32,-0.5 -2,-0.4 2,-0.4 0.000 19.5 172.0-114.4 128.0 10.0 20.9 58.6 10.7 19.7 57.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9193 0.3524 0.1756 -0.2821 0.2786 0.9180 0.2746 -0.8934 0.3555 7 14 A G E +A 115 0A 17 108,-2.2 108,-3.1 -2,-0.5 2,-0.3 0.000 10.0 161.4-126.1 143.5 12.7 23.3 59.8 12.2 24.5 60.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9496 0.1331 0.2836 0.3101 -0.2687 -0.9120 -0.0452 0.9540 -0.2965 8 15 A C E -A 114 0A 36 -2,-0.4 106,-0.2 106,-0.2 2,-0.1 0.000 39.3 -97.1-153.4 161.4 16.3 22.5 60.4 16.7 21.2 59.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.9698 0.2041 0.1338 -0.2181 0.4790 0.8503 0.1095 -0.8537 0.5091 9 16 A R - 0 0 142 104,-1.0 2,-0.2 -2,-0.3 104,-0.1 0.000 61.0 -77.4 -76.3 153.0 19.7 24.2 60.8 20.6 24.2 62.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8118 0.1354 -0.5680 -0.5221 0.6041 -0.6021 0.2616 0.7853 0.5611 10 17 A K S S+ 0 0 110 1,-0.1 -1,-0.1 -2,-0.1 34,-0.1 0.000 117.6 31.6 -53.2 116.6 22.1 24.3 57.8 22.9 25.6 57.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7236 -0.5981 -0.3445 -0.6895 -0.6483 -0.3229 -0.0302 0.4713 -0.8815 11 18 A G S S+ 0 0 55 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.000 74.3 161.7 92.5 75.6 23.6 20.9 57.6 25.0 21.2 58.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0284 -0.8802 0.4737 -0.4700 -0.4300 -0.7709 0.8822 -0.2007 -0.4259 12 19 A A - 0 0 10 -4,-0.1 -1,-0.2 4,-0.0 34,-0.1 0.000 36.8-122.6-126.8 130.1 21.1 18.3 58.8 19.7 18.8 59.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3340 -0.9424 -0.0182 0.8541 -0.3108 0.4170 -0.3986 0.1237 0.9087 13 20 A A >> - 0 0 51 -2,-0.4 4,-1.5 1,-0.1 3,-0.9 0.000 19.2-124.4 -69.4 145.9 21.4 14.6 58.0 22.1 13.5 58.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5946 -0.7133 -0.3711 0.0192 0.4488 -0.8934 0.8038 -0.5383 -0.2532 14 21 A S H 3> S+ 0 0 36 1,-0.3 4,-2.2 2,-0.2 -1,-0.1 0.000 112.0 56.4 -59.0 -37.0 18.4 13.0 56.2 18.5 12.2 54.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7971 -0.5429 0.2644 -0.3988 0.8021 0.4446 -0.4534 0.2489 -0.8558 15 22 A D H 3> S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.000 102.0 56.0 -69.2 -24.3 18.2 10.4 59.0 19.2 9.3 59.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3512 -0.0673 0.9339 -0.9339 0.0967 -0.3443 -0.0672 -0.9930 -0.0968 16 23 A A H <> S+ 0 0 37 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.000 109.7 45.6 -71.6 -42.5 17.8 13.1 61.6 18.8 14.3 61.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7493 0.5583 0.3563 -0.3936 -0.8080 0.4384 0.5326 0.1882 0.8252 17 24 A I H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.000 113.2 50.5 -62.4 -45.8 14.8 14.5 59.7 14.8 15.1 58.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9486 -0.2866 -0.1341 -0.2108 0.2561 0.9434 -0.2360 0.9232 -0.3034 18 25 A I H X S+ 0 0 39 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.000 110.6 48.7 -60.2 -48.4 13.4 11.0 59.3 14.0 9.8 58.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5056 -0.6417 0.5767 -0.8011 0.5973 -0.0376 -0.3204 -0.4810 -0.8161 19 26 A A H X S+ 0 0 53 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.000 110.6 52.2 -55.9 -44.1 13.7 10.3 63.1 15.1 10.4 63.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4786 0.2936 0.8275 -0.7681 -0.5966 -0.2326 0.4254 -0.7469 0.5110 20 27 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.000 110.3 47.0 -63.7 -37.1 12.1 13.7 63.9 12.6 15.0 63.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9221 0.3863 0.0235 -0.2146 -0.5609 0.7996 0.3221 0.7322 0.6001 21 28 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.000 113.8 46.5 -73.2 -46.2 9.0 12.9 61.6 9.0 12.9 60.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.8332 -0.5511 0.0457 -0.3311 0.5633 0.7570 -0.4430 0.6156 -0.6518 22 29 A R H X S+ 0 0 119 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.000 111.6 52.1 -66.9 -31.0 8.5 9.4 63.0 9.4 8.2 62.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3181 -0.4257 0.8471 -0.9132 0.3775 -0.1532 -0.2545 -0.8223 -0.5089 23 30 A A H X S+ 0 0 26 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.000 109.2 50.6 -69.5 -38.4 8.9 10.7 66.6 10.1 11.3 67.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.5786 0.4829 0.6573 -0.5883 -0.8053 0.0738 0.5649 -0.3440 0.7500 24 31 A A H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 6,-0.3 0.000 108.8 52.2 -62.2 -43.3 6.2 13.3 65.9 6.4 14.4 64.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9965 0.0146 -0.0818 -0.0829 -0.1221 0.9890 0.0044 0.9924 0.1229 25 32 A E H X>S+ 0 0 32 -4,-2.2 5,-1.5 2,-0.2 4,-1.4 0.000 114.9 41.2 -59.1 -47.3 3.9 10.7 64.5 4.3 9.7 63.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6110 -0.6881 0.3915 -0.6359 0.7211 0.2750 -0.4716 -0.0809 -0.8781 26 33 A R H <5S+ 0 0 180 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.000 114.7 50.9 -68.1 -44.0 4.3 8.5 67.6 5.6 7.8 68.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2773 0.0373 0.9601 -0.9550 -0.1202 -0.2712 0.1053 -0.9920 0.0689 27 34 A A H <5S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.000 122.8 29.5 -66.3 -28.0 4.1 11.5 70.1 5.2 12.6 70.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6846 0.6040 0.4080 -0.3898 -0.7764 0.4953 0.6159 0.1800 0.7670 28 35 A F H <5S- 0 0 61 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.000 103.1-117.6-115.1 -8.9 1.0 12.9 68.6 1.2 14.2 67.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9570 -0.0669 -0.2821 -0.2546 -0.2713 0.9282 -0.1387 0.9602 0.2426 29 36 A G T <5S+ 0 0 69 -4,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.000 71.2 125.5 73.7 38.9 -0.9 9.9 67.2 -2.0 9.9 68.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6164 -0.2277 -0.7538 0.7123 -0.5693 -0.4106 -0.3356 -0.7900 0.5131 30 37 A V < - 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0 0 10 -120,-2.1 -19,-0.2 -2,-0.4 -20,-0.2 0.000 32.1 -92.1 -99.7 172.2 -6.9 20.2 56.8 -6.5 20.2 55.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9571 0.1670 -0.2369 -0.0823 0.6273 0.7744 0.2780 0.7607 -0.5866 122 129 A S 0 0 86 -22,-0.5 -21,-0.1 -2,-0.1 -20,-0.1 0.000 360.0 360.0 -50.1 -43.8 -10.7 20.4 56.6 -11.5 21.4 55.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7734 -0.6308 -0.0623 0.1412 -0.2672 0.9532 -0.6179 0.7285 0.2957 123 130 A D 0 0 150 -122,-0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 -96.6 360.0 -11.1 17.0 54.9 -11.3 16.9 53.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2821 -0.9570 0.0676 -0.4730 -0.0774 0.8777 -0.8347 -0.2796 -0.4745 printout DONE