HEADER HYDROLASE/DNA 19-MAR-98 1A74 . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.L.JURICA,K.E.FLICK,R.J.MONNAT JUNIOR,M.S.STODDARD . 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 . 324 # 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 2 A A 0 0 12 0, 0.0 3,-0.1 0, 0.0 66,-0.0 0.000 360.0 360.0 360.0 164.9 -12.5 38.2 34.7 -12.5 36.7 34.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1491 -0.3246 0.9340 -0.5913 0.7864 0.1789 -0.7925 -0.5256 -0.3092 2 3 A L + 0 0 153 1,-0.3 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 70.7-148.4 -43.1 -12.5 37.8 38.4 -12.9 39.1 39.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1258 -0.4899 0.8627 0.7758 -0.5906 -0.2223 0.6183 0.6413 0.4543 3 4 A T S >> S- 0 0 66 1,-0.1 4,-1.9 4,-0.0 3,-0.5 0.000 84.9-118.1 -83.2 154.4 -15.1 35.2 39.4 -16.7 35.4 39.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1609 -0.9840 -0.0769 0.7974 -0.1755 0.5774 -0.5817 0.0316 0.8128 4 5 A N H 3> S+ 0 0 118 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.000 117.5 54.6 -58.8 -34.0 -14.6 31.5 38.6 -14.8 30.4 39.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2566 -0.5900 -0.7656 0.6477 0.4830 -0.5892 0.7174 -0.6471 0.2582 5 6 A A H 3> S+ 0 0 71 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.000 108.0 48.9 -68.6 -32.2 -17.8 31.7 36.4 -19.1 32.1 36.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2357 0.3132 -0.9200 0.5330 -0.7499 -0.3918 -0.8126 -0.5827 0.0098 6 7 A Q H <> S+ 0 0 59 -3,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.000 110.0 50.6 -76.9 -31.2 -16.3 34.7 34.5 -16.0 36.0 35.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6850 0.1602 -0.7107 -0.5650 -0.4990 -0.6571 -0.4598 0.8517 -0.2513 7 8 A I H X S+ 0 0 19 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.000 107.2 54.8 -73.4 -33.9 -13.0 32.8 34.0 -12.1 32.3 35.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3376 -0.7270 -0.5979 -0.0738 0.6128 -0.7868 0.9384 0.3098 0.1533 8 9 A L H X S+ 0 0 53 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.000 107.3 50.3 -64.0 -42.1 -14.9 29.8 32.7 -16.1 29.1 33.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3985 -0.2452 -0.8838 0.9168 -0.1338 -0.3763 -0.0260 -0.9602 0.2781 9 10 A A H X S+ 0 0 57 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.000 109.5 50.8 -63.6 -37.9 -16.6 32.1 30.2 -17.5 33.3 30.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2776 0.4203 -0.8639 -0.0064 -0.8984 -0.4391 -0.9607 0.1274 -0.2467 10 11 A V H X S+ 0 0 6 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.000 111.4 48.0 -65.9 -41.6 -13.2 33.4 29.1 -12.1 34.1 30.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7373 -0.3514 -0.5770 -0.5744 0.1236 -0.8092 0.3557 0.9280 -0.1107 11 12 A I H X S+ 0 0 7 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.000 110.5 52.2 -64.3 -43.4 -11.9 29.8 28.7 -11.9 28.7 29.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1266 -0.7167 -0.6858 0.5439 0.5280 -0.6522 0.8295 -0.4556 0.3229 12 13 A D H X S+ 0 0 67 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.000 110.3 46.5 -59.6 -43.8 -15.1 28.9 26.7 -16.5 29.0 27.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3106 0.1247 -0.9423 0.6827 -0.6605 -0.3125 -0.6614 -0.7404 0.1200 13 14 A S H X S+ 0 0 38 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.000 111.5 53.0 -70.8 -27.4 -14.6 31.8 24.3 -14.8 33.3 24.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6098 0.2456 -0.7535 -0.3694 -0.7531 -0.5444 -0.7012 0.6104 -0.3685 14 15 A W H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.000 110.3 46.3 -72.1 -45.6 -10.9 30.9 23.9 -10.0 30.8 25.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5434 -0.6502 -0.5310 -0.2144 0.5041 -0.8366 0.8116 0.5685 0.1345 15 16 A E H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.000 110.6 54.7 -63.1 -39.1 -11.7 27.3 23.0 -12.4 26.3 23.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.3639 -0.4798 -0.7984 0.8505 0.1783 -0.4948 0.3797 -0.8591 0.3432 16 17 A E H < S+ 0 0 102 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.000 113.9 40.1 -61.0 -45.0 -14.4 28.5 20.6 -15.5 29.5 21.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.0114 0.3401 -0.9403 0.2061 -0.9194 -0.3350 -0.9785 -0.1976 -0.0597 17 18 A T H >< S+ 0 0 23 -4,-1.7 3,-1.0 1,-0.2 -2,-0.2 0.000 117.1 46.8 -73.1 -44.6 -11.9 30.7 18.7 -11.3 32.0 19.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7999 -0.0998 -0.5918 -0.5792 -0.3866 -0.7176 -0.1572 0.9168 -0.3670 18 19 A V H >< S+ 0 0 0 -4,-2.9 3,-2.5 1,-0.2 -2,-0.2 0.000 101.1 68.2 -66.6 -32.8 -8.9 28.3 18.8 -8.2 27.8 20.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2363 -0.8442 -0.4812 0.0885 0.5118 -0.8545 0.9676 0.1594 0.1956 19 20 A G T 3< S+ 0 0 18 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.000 99.1 51.6 -57.1 -24.6 -11.3 25.5 17.7 -12.6 25.3 18.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.2699 -0.3783 -0.8855 0.9128 -0.3933 -0.1102 -0.3066 -0.8380 0.4515 20 21 A Q T < S+ 0 0 146 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.000 83.0 113.0 -94.8 3.8 -11.5 27.3 14.3 -12.4 28.5 14.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.4995 0.2422 -0.8318 0.1089 -0.9701 -0.2171 -0.8594 0.0179 -0.5109 21 22 A F S < S- 0 0 9 -3,-2.5 22,-0.1 1,-0.1 29,-0.0 0.000 90.6 -80.7 -70.4 149.0 -7.7 27.6 13.9 -6.6 27.5 15.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6611 -0.4120 -0.6270 -0.3556 0.5639 -0.7454 0.6607 0.7158 0.2263 22 23 A P - 0 0 77 0, 0.0 20,-2.1 0, 0.0 2,-0.7 0.000 47.0-138.2 -53.3 128.5 -6.5 25.5 11.0 -5.4 26.0 10.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2997 -0.9527 -0.0507 -0.9479 -0.3034 0.0968 -0.1076 0.0190 -0.9940 23 24 A V E -A 41 0A 63 18,-0.2 2,-0.5 -3,-0.1 18,-0.2 0.000 21.1-164.4 -94.7 116.2 -6.2 21.9 12.2 -7.4 21.0 12.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5590 -0.8234 -0.0979 0.7847 0.4871 0.3834 -0.2679 -0.2911 0.9184 24 25 A I E -A 40 0A 64 16,-3.4 16,-2.6 -2,-0.7 2,-0.6 0.000 12.6-138.8-108.2 131.5 -3.0 20.3 11.0 -1.7 21.1 10.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5522 -0.8276 -0.1007 -0.7328 -0.4243 -0.5319 0.3975 0.3676 -0.8408 25 26 A T E -A 39 0A 75 -2,-0.5 2,-0.4 14,-0.2 14,-0.2 0.000 23.2-174.3 -90.0 121.0 -2.3 16.6 11.0 -3.1 15.6 10.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7378 -0.6690 0.0898 0.1526 0.2949 0.9432 -0.6575 -0.6822 0.3197 26 27 A H E -A 38 0A 61 12,-3.0 12,-2.6 -2,-0.6 2,-0.6 0.000 20.2-142.3-119.0 138.6 1.2 15.6 12.0 2.0 16.5 13.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6925 -0.7031 0.1618 -0.0438 -0.2649 -0.9633 0.7201 0.6600 -0.2142 27 28 A H E +A 37 0A 134 -2,-0.4 10,-0.2 10,-0.2 -2,-0.0 0.000 33.4 178.7 -99.8 120.5 2.8 12.2 12.0 3.1 11.4 10.7 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6897 -0.5386 0.4840 -0.5524 0.0408 0.8326 -0.4681 -0.8416 -0.2694 28 29 A V E -A 36 0A 7 8,-1.8 8,-3.6 -2,-0.6 2,-0.3 0.000 32.8-106.5-127.6 155.4 5.1 11.8 15.0 4.7 12.8 16.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.6258 -0.4780 0.6163 0.6440 -0.1291 -0.7541 0.4401 0.8688 0.2270 29 30 A P E -A 35 0A 39 0, 0.0 111,-3.4 0, 0.0 6,-0.2 0.000 23.3-174.0 -78.4 135.9 7.4 9.3 16.6 8.9 9.5 16.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.0252 -0.5313 0.8468 -0.7719 -0.5486 -0.3212 0.6353 -0.6455 -0.4240 30 31 A L E - 0 0 27 4,-2.5 98,-2.9 -2,-0.3 99,-0.5 0.000 49.6-101.3-105.1 -7.9 6.0 7.8 19.8 4.7 7.0 19.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.2108 -0.3782 0.9014 0.3962 0.8760 0.2749 -0.8936 0.2992 0.3345 31 32 A G E > S+A 34 0A 1 3,-0.8 3,-1.3 97,-0.2 -1,-0.3 0.000 99.2 69.4 101.2 158.7 9.1 5.9 20.7 9.0 6.1 22.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.3321 -0.9311 0.1507 0.5885 0.0797 -0.8045 0.7371 0.3559 0.5745 32 33 A G T 3 S- 0 0 63 1,-0.3 3,-0.1 97,-0.1 97,-0.1 0.000 127.4 -68.5 68.4 27.5 9.7 2.1 20.3 8.6 1.7 21.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1563 -0.6854 -0.7112 0.9873 -0.0872 -0.1330 0.0291 -0.7229 0.6903 33 34 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 96,-0.0 2,-0.2 0.000 103.5 134.1 70.7 -0.6 9.9 2.6 16.5 10.3 1.2 16.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6373 0.0221 -0.7703 0.2104 0.9666 -0.1464 0.7413 -0.2554 -0.6207 34 35 A L E < -A 31 0A 88 -3,-1.3 -4,-2.5 94,-0.1 -3,-0.8 0.000 44.5-148.5 -85.1 149.5 6.2 3.4 16.6 5.2 3.0 17.8 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6643 0.6711 -0.3291 0.2143 -0.2508 -0.9440 -0.7161 -0.6976 0.0228 35 36 A Q E -A 29 0A 128 -6,-0.2 2,-0.2 -2,-0.2 -8,-0.0 0.000 17.0-178.9-117.9 141.8 4.5 6.3 14.7 4.7 6.3 13.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7443 0.6648 -0.0644 0.3035 0.4226 0.8540 0.5949 0.6160 -0.5163 36 37 A G E -A 28 0A 12 -8,-3.6 -8,-1.8 -2,-0.4 2,-0.4 0.000 23.1-116.1-129.0-176.3 1.5 8.2 15.7 1.5 8.6 17.2 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7404 0.6520 -0.1634 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S- 0 0 60 2,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.000 101.1 -28.4-150.4 163.9 0.6 36.6 10.6 1.1 37.2 9.3 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.6280 0.7704 0.1099 0.1562 -0.0136 0.9876 0.7624 0.6374 -0.1118 47 48 A A S S+ 0 0 77 -2,-0.3 2,-0.1 2,-0.1 -2,-0.1 0.000 102.7 51.9 -59.5 144.6 -2.4 38.9 11.5 -2.2 40.3 12.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.9060 0.1986 -0.3738 -0.3175 -0.9029 0.2898 -0.2800 0.3813 0.8810 48 49 A P + 0 0 116 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 0.000 62.1 164.5 -81.2 152.3 -5.2 38.4 11.9 -6.7 38.7 11.6 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.1780 -0.6480 0.7405 0.8486 0.2799 0.4490 -0.4982 0.7083 0.5001 49 50 A Y - 0 0 30 4,-0.5 2,-0.2 1,-0.3 5,-0.1 0.000 57.2 -69.3-100.7 -34.9 -4.8 35.5 14.3 -3.8 35.6 15.5 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.4476 -0.7770 0.4427 -0.1400 -0.4281 -0.8928 0.8832 -0.4616 0.0828 50 51 A G > - 0 0 28 3,-0.4 3,-2.6 -7,-0.1 -1,-0.3 0.000 69.1 -46.2 152.8 159.3 -8.3 35.2 15.8 -8.1 33.9 16.4 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 -0.7436 0.2084 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0.6591 -0.5724 322 161 B F - 0 0 8 -3,-0.1 2,-0.3-217,-0.0 -5,-0.0 0.000 51.1-174.2-123.0 161.5 -10.7 19.4 19.9 -9.7 20.0 20.9 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.5629 -0.8243 -0.0614 -0.2238 -0.0805 -0.9713 0.7957 0.5604 -0.2298 323 162 B V 0 0 77 -2,-0.3-285,-0.2-285,-0.3-216,-0.2 0.000 360.0 360.0-142.5 157.5 -9.2 16.0 19.4 -9.7 15.3 18.1 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.7789 -0.6241 0.0619 -0.0876 -0.0106 0.9961 -0.6210 -0.7813 -0.0629 324 163 B V 0 0 74 -2,-0.3-285,-0.1-287,-0.1-216,-0.1 0.000 360.0 360.0 -69.1 360.0 -5.8 14.6 20.2 -5.4 13.4 21.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0 0.0 0.8599 -0.0965 -0.5012 0.0963 0.9950 -0.0264 0.5013 -0.0256 0.8649 printout DONE