./modeloptsuelto.pdb opti { ALL 0.95096 -0.30213 -0.06629 9.52627 0.30160 0.95326 -0.01801 45.42443 0.06863 -0.00286 0.99764 26.78184 } ./1sca.pdb 1sca { ALL 0.46790 0.21808 -0.85646 4.07870 0.88368 -0.12993 0.44969 -50.59325 -0.01322 -0.96724 -0.25351 111.92130 } ./1ubnA.pdb 1ubn { ALL -0.82948 0.53867 0.14766 61.51540 0.27536 0.62439 -0.73097 44.85397 -0.48595 -0.56566 -0.66624 73.35439 } ./1ak9.pdb 1ak9 { ALL 0.99512 -0.07452 -0.06470 5.43085 0.06814 0.99307 -0.09580 2.72320 0.07139 0.09092 0.99330 -3.96335 } ./1scjA.pdb 1scj { ALL -0.49164 -0.51047 0.70548 31.86750 -0.46488 -0.53119 -0.70832 67.60160 0.73633 -0.67621 0.02385 31.12448 } Alignment score Sc = 9.200714 Alignment length Lp = 288 RMS deviation after fitting on 263 atoms = 0.614509 Secondary structures are from DSSP >opti (cluster A) sequence >1sca (cluster B) sequence >1ubn (cluster B) sequence >1ak9 (cluster B) sequence >1scj (cluster B) sequence >space >opti_dssp (cluster A) secondary structure from DSSP >1sca_dssp (cluster B) secondary structure from DSSP >1ubn_dssp (cluster B) secondary structure from DSSP >1ak9_dssp (cluster B) secondary structure from DSSP >1scj_dssp (cluster B) secondary structure from DSSP #T -- '1' = equivalenced residues #P -- averaged Pij #A -- distance between averaged CA atoms in angtroms #G -- Pij' value ABBBB ABBBBequiv Pij Distance Pij' * iteration 1 VAAAA ????? 1 0.92606 0.91021 9.91100 NQQQQ ????? 1 0.94010 0.70831 10.05800 ETSSS ????? 1 0.94401 0.56249 10.09900 LVVVV ????? 1 0.93905 0.76304 10.04700 PPPPP ????? 1 0.94401 0.75427 10.09900 EYYYY ????? 1 0.93504 0.80929 10.00500 GGGGG ????? 1 0.93609 0.69479 10.01600 IIVVI ????? 1 0.94105 0.42675 10.06800 KPSSS ????? 1 0.93208 0.68425 9.97400 VLQQQ ????? 1 0.93704 0.71237 10.02600 IIIII ????? 1 0.94907 0.58155 10.15200 KKKKK ????? 1 0.95204 0.43905 10.18300 AAAAA ????? 1 0.94506 0.62759 10.11000 PDPPP ????? 1 0.93905 0.61157 10.04700 EKAAA ????? 1 0.94306 0.35847 10.08900 MVLLL ????? 1 0.93504 0.65998 10.00500 WQHHH ????? 1 0.94210 0.55900 10.07900 AASSS ????? 1 0.94506 0.42398 10.11000 KQQQQ ????? 1 0.93007 0.74797 9.95300 GGGGG ????? 1 0.94306 0.41240 10.08900 VFYYY ????? 1 0.93905 0.63369 10.04700 KKTCT ????? 1 0.90304 0.88008 9.67000 GGGGG ????? 1 0.89703 0.95384 9.60700 KASSS ????? 1 0.92701 0.86186 9.92100 NNNNN ????? 1 0.93609 0.72454 10.01600 IVVVV ????? 1 0.94306 0.64481 10.08900 KKKKK ????? 1 0.94105 0.66456 10.06800 VVVVV ????? 1 0.94010 0.69023 10.05800 AAAAA ????? 1 0.94010 0.74478 10.05800 VVVVV ????? 1 0.94401 0.63869 10.09900 LLIII ????? 1 0.94907 0.55914 10.15200 DDDDD ????? 1 0.94401 0.64385 10.09900 TTSSS ????? 1 0.91909 0.49377 9.83800 GGGGG ????? 1 0.85701 1.07985 9.18800 CIIII ????? 1 0.92405 0.61690 9.89000 DQDDD ????? 1 0.94010 0.49788 10.05800 TASSS ????? 1 0.91508 0.82044 9.79600 SSSSS ????? 1 0.90610 0.92941 9.70200 HHHHH ????? 1 0.93102 0.72096 9.96300 PPPPP ????? 1 0.93208 0.63802 9.97400 DDDDD ????? 1 0.85004 1.04546 9.11500 L ? KLLLL ????? 0 0.39202 1.64539 4.31900 N ? QNKKN ????? 0 0.32106 1.88358 3.57600 IVVVV ????? 1 0.73210 1.09858 7.88000 IVAAR ????? 1 0.87506 1.11205 9.37700 GGGGG ????? 1 0.90008 0.91460 9.63900 GGGGG ????? 1 0.91804 0.84486 9.82700 KAAAA ????? 1 0.94401 0.58066 10.09900 NSSSS ????? 1 0.94401 0.55443 10.09900 FFMFF ????? 1 0.93007 0.80063 9.95300 TVVVV ????? 1 0.90705 0.88813 9.71200 D ? D ? DAPPP ????? 0 0.11507 2.54776 1.41900 G ? GGSSS ????? 0 0.25603 0.71101 2.89500 K EEE ? ??? EETTT ????? 1 0.81308 0.68083 8.72800 DANNN ????? 1 0.86704 0.83462 9.29300 AYPPP ????? 1 0.94010 0.62052 10.05800 INFFY ????? 1 0.95204 0.33219 10.18300 STQQQ ????? 1 0.95204 0.28404 10.18300 DDDDD ????? 1 0.94105 0.64328 10.06800 YGNNG ????? 1 0.92109 0.73780 9.85900 NNNNS ????? 1 0.91001 0.82273 9.74300 GGSSS ????? 1 0.93208 0.74420 9.97400 HHHHH ????? 1 0.93905 0.67925 10.04700 GGGGG ????? 1 0.94105 0.65809 10.06800 TTTTT ????? 1 0.95204 0.51641 10.18300 HHHHH ????? 1 0.95404 0.33129 10.20400 VVVVV ????? 1 0.95003 0.56075 10.16200 AAAAA ????? 1 0.94707 0.63104 10.13100 GGGGG ????? 1 0.95003 0.59495 10.16200 TTTTT ????? 1 0.94707 0.68770 10.13100 IVVVI ????? 1 0.93102 0.75801 9.96300 AAAAA ????? 1 0.90505 0.92277 9.69100 AAAAA ????? 1 0.94010 0.47740 10.05800 NLLLL ????? 1 0.95204 0.46365 10.18300 DDNNN ????? 1 0.94210 0.51972 10.07900 SNNNN ????? 1 0.92310 0.77206 9.88000 NTSSS ????? 1 0.92606 0.70852 9.91100 GTIII ????? 1 0.90906 0.93671 9.73300 GGGGG ????? 1 0.93704 0.55714 10.02600 IVVVV ????? 1 0.95309 0.46156 10.19400 ALLLL ????? 1 0.95108 0.58096 10.17300 GGGGG ????? 1 0.94907 0.61820 10.15200 VVVVV ????? 1 0.95003 0.47706 10.16200 AAAAS ????? 1 0.94401 0.71135 10.09900 PPPPP ????? 1 0.95003 0.59669 10.16200 ESSCS ????? 1 0.94401 0.42038 10.09900 AVAAA ????? 1 0.92405 0.83442 9.89000 SSSSS ????? 1 0.94010 0.54788 10.05800 LLLLL ????? 1 0.93208 0.76752 9.97400 LYYYY ????? 1 0.93704 0.77950 10.02600 IAAAA ????? 1 0.93408 0.80907 9.99500 VVVVV ????? 1 0.94602 0.48069 10.12000 KKKKK ????? 1 0.94210 0.61191 10.07900 VVVVV ????? 1 0.92205 0.88165 9.86900 LLLLL ????? 1 0.92902 0.78653 9.94200 GNGGD ????? 1 0.89407 0.84477 9.57600 G ? ESAAS ????? 1 0.58102 1.62145 6.29800 NSDDT ????? 1 0.72102 1.31209 7.76400 GGGGG ????? 1 0.86007 0.66778 9.22000 SSSSS ????? 1 0.88910 0.99442 9.52400 GGGGG ????? 1 0.92004 0.86389 9.84800 QSQQQ ????? 1 0.93905 0.57594 10.04700 YYYYY ????? 1 0.93809 0.71395 10.03700 ESSSS ????? 1 0.94602 0.61815 10.12000 WGWWW ????? 1 0.94210 0.67307 10.07900 IIIII ????? 1 0.92806 0.89340 9.93200 IVIII ????? 1 0.94105 0.78675 10.06800 NSNNN ????? 1 0.94506 0.71536 10.11000 GGGGG ????? 1 0.94802 0.64300 10.14100 IIIII ????? 1 0.95204 0.49548 10.18300 NEEEE ????? 1 0.94907 0.58112 10.15200 YWWWW ????? 1 0.95003 0.57604 10.16200 AAAAA ????? 1 0.94907 0.58975 10.15200 VTIII ????? 1 0.94802 0.57722 10.14100 ETAAS ????? 1 0.94802 0.53293 10.14100 QNNNN ????? 1 0.93704 0.73720 10.02600 KGNNN ????? 1 0.94602 0.55596 10.12000 VMMMM ????? 1 0.95003 0.58666 10.16200 DDDDD ????? 1 0.94802 0.56352 10.14100 IVVVV ????? 1 0.94210 0.65085 10.07900 IIIII ????? 1 0.92405 0.87899 9.89000 SNNNN ????? 1 0.93303 0.76965 9.98400 MMMMM ????? 1 0.93704 0.73316 10.02600 SSSSS ????? 1 0.93102 0.79929 9.96300 LLLLL ????? 1 0.94210 0.61930 10.07900 GGGGG ????? 1 0.94010 0.72116 10.05800 GGGGG ????? 1 0.94602 0.64177 10.12000 PAPPP ????? 1 0.93704 0.69319 10.02600 SSSST ????? 1 0.92606 0.64960 9.91100 DGGGG ????? 1 0.90810 0.78583 9.72300 VSSSS ????? 1 0.93609 0.56932 10.01600 PTAAT ????? 1 0.93704 0.62407 10.02600 EAAAA ????? 1 0.94306 0.55457 10.08900 LMLLL ????? 1 0.94306 0.70754 10.08900 KKKKK ????? 1 0.94401 0.66912 10.09900 EQAAT ????? 1 0.95003 0.47073 10.16200 AAAAV ????? 1 0.94907 0.57821 10.15200 VVVVV ????? 1 0.94401 0.66421 10.09900 KDDDD ????? 1 0.94707 0.58895 10.13100 NNKKK ????? 1 0.94602 0.43765 10.12000 AAAAA ????? 1 0.94306 0.67782 10.08900 VYVVV ????? 1 0.94707 0.63475 10.13100 KAAAS ????? 1 0.94907 0.49751 10.15200 NRSSS ????? 1 0.95309 0.31355 10.19400 GGGGG ????? 1 0.94907 0.52981 10.15200 VVVVI ????? 1 0.93809 0.60141 10.03700 LVVVV ????? 1 0.92902 0.84293 9.94200 VVVVV ????? 1 0.93208 0.86014 9.97400 VVVVA ????? 1 0.93905 0.71758 10.04700 CAAAA ????? 1 0.94802 0.50689 10.14100 AAAAA ????? 1 0.94210 0.73272 10.07900 AAAAA ????? 1 0.93408 0.81920 9.99500 GGGGG ????? 1 0.94506 0.57910 10.11000 NNNNN ????? 1 0.94907 0.47293 10.15200 ESEEE ????? 1 0.94306 0.68515 10.08900 GGGGG ????? 1 0.94707 0.59552 10.13100 DNTTS ????? 1 0.90705 0.57327 9.71200 GSSSS ????? 1 0.83104 1.06563 8.91600 DGGGG ????? 1 0.82301 1.12725 8.83200 E ? RSSSS ????? 1 0.61205 1.58994 6.62300 TTSST ????? 1 0.78606 1.11240 8.44500 ENSSS ????? 1 0.89903 0.92816 9.62800 ETTTT ????? 1 0.93208 0.52761 9.97400 LIVVV ????? 1 0.92806 0.76941 9.93200 SGGGG ????? 1 0.93007 0.74398 9.95300 YYYYY ????? 1 0.94707 0.44601 10.13100 PPPPP ????? 1 0.94401 0.71157 10.09900 AAGAA ????? 1 0.94602 0.64847 10.12000 AKKKK ????? 1 0.93905 0.68334 10.04700 YYYYY ????? 1 0.94210 0.63527 10.07900 NDPPP ????? 1 0.93408 0.78651 9.99500 ESSSS ????? 1 0.92510 0.82946 9.90100 VVVVT ????? 1 0.94506 0.46465 10.11000 IIIII ????? 1 0.95204 0.42602 10.18300 AAAAA ????? 1 0.94506 0.69016 10.11000 VVVVV ????? 1 0.94802 0.68005 10.14100 GGGGG ????? 1 0.94707 0.66953 10.13100 SAAAA ????? 1 0.93609 0.78726 10.01600 VVVVV ????? 1 0.93609 0.73362 10.01600 SDDDN ????? 1 0.92405 0.70261 9.89000 VSSSS ????? 1 0.89006 0.96123 9.53400 ANSSS ????? 1 0.90810 0.83811 9.72300 RSNNN ????? 1 0.92806 0.73468 9.93200 ENQQQ ????? 1 0.93504 0.76443 10.00500 LRRRR ????? 1 0.93905 0.69775 10.04700 SAAAA ????? 1 0.94306 0.58478 10.08900 ESSSS ????? 1 0.94210 0.60758 10.07900 FFFFF ????? 1 0.94105 0.61797 10.06800 SSSSS ????? 1 0.92902 0.88641 9.94200 NSSSS ????? 1 0.92205 0.79984 9.86900 AVVVA ????? 1 0.85606 1.10900 9.17800 NGGGG ????? 1 0.90209 0.66882 9.66000 KAPPS ????? 1 0.91708 0.83275 9.81700 EEEEE ????? 1 0.93504 0.72073 10.00500 ILLLL ????? 1 0.94802 0.61522 10.14100 DEDDD ????? 1 0.95108 0.60541 10.17300 LVVVV ????? 1 0.94506 0.47175 10.11000 VMMMM ????? 1 0.92806 0.85297 9.93200 AAAAA ????? 1 0.93504 0.83560 10.00500 PPPPP ????? 1 0.94401 0.71649 10.09900 GGGGG ????? 1 0.94506 0.69810 10.11000 EAVVV ????? 1 0.94210 0.46753 10.07900 NGSSS ????? 1 0.92806 0.78493 9.93200 IVIII ????? 1 0.92902 0.86240 9.94200 LYQQQ ????? 1 0.93609 0.77085 10.01600 SSSSS ????? 1 0.94907 0.53268 10.15200 TTTTT ????? 1 0.95404 0.41199 10.20400 LYLLL ????? 1 0.94401 0.59706 10.09900 PPPPP ????? 1 0.93408 0.42800 9.99500 NTGGG ????? 1 0.92806 0.75511 9.93200 KNNNG ????? 1 0.93504 0.68051 10.00500 KTKKT ????? 1 0.94105 0.52498 10.06800 YYYYY ????? 1 0.93102 0.79289 9.96300 GAGGG ????? 1 0.94210 0.66155 10.07900 KTAAA ????? 1 0.95204 0.45098 10.18300 LLYKY ????? 1 0.94802 0.64912 10.14100 TNNSN ????? 1 0.95204 0.49797 10.18300 GGGGG ????? 1 0.95204 0.46242 10.18300 TT TT ?? ?? SSTSC ????? 1 0.77507 1.10380 8.33000 MMMMM ????? 1 0.83705 0.63435 8.97900 AAAAA ????? 1 0.93809 0.72414 10.03700 ASSST ????? 1 0.92806 0.77920 9.93200 PPPPP ????? 1 0.92902 0.76028 9.94200 HHHHH ????? 1 0.94802 0.60002 10.14100 VVVVV ????? 1 0.94802 0.69717 10.14100 SAAAA ????? 1 0.94707 0.64079 10.13100 GGGGG ????? 1 0.94210 0.72708 10.07900 AAAAA ????? 1 0.94506 0.70862 10.11000 LAAAA ????? 1 0.95003 0.60950 10.16200 AAAAA ????? 1 0.95404 0.53290 10.20400 LLLLL ????? 1 0.95204 0.56968 10.18300 IIIII ????? 1 0.94802 0.64632 10.14100 KLLLL ????? 1 0.95003 0.52075 10.16200 SSSSS ????? 1 0.94010 0.60390 10.05800 YKKKK ????? 1 0.92701 0.84117 9.92100 EHHHH ????? 1 0.93408 0.77648 9.99500 EPPPP ????? 1 0.82903 0.81748 8.89500 E ? S ? F ? Q ? RNNNT ????? 0 0.08709 1.93092 1.12600 K ? LLWWW ????? 1 0.56402 0.77025 6.12000 SSTTT ????? 1 0.91909 0.55182 9.83800 EANNN ????? 1 0.88805 1.04779 9.51300 SSTTA ????? 1 0.91202 0.92824 9.76400 EQQQQ ????? 1 0.93504 0.74045 10.00500 VVVVV ????? 1 0.94210 0.75911 10.07900 FRRRR ????? 1 0.94907 0.56687 10.15200 ANSSD ????? 1 0.94707 0.62743 10.13100 QRSSR ????? 1 0.93102 0.78133 9.96300 LLLLL ????? 1 0.92806 0.78567 9.93200 ISEEE ????? 1 0.94401 0.58555 10.09900 RSNNS ????? 1 0.95204 0.47283 10.18300 RTTTT ????? 1 0.93504 0.57266 10.00500 TATTA ????? 1 0.89703 0.94280 9.60700 TTTT ???? KY ?? L L ? ? PYKG ???? LLLLL ????? 1 0.64710 0.55960 6.99000 D ? IGGGG ????? 1 0.51302 1.41306 5.58600 ASDDN ????? 1 0.86809 0.99340 9.30400 KSSSS ????? 1 0.92902 0.76938 9.94200 TFFFF ????? 1 0.90810 0.95029 9.72300 LYYYY ????? 1 0.93809 0.59534 10.03700 AYYYY ????? 1 0.95404 0.31682 10.20400 GGGGG ????? 1 0.95204 0.49466 10.18300 NKKKK ????? 1 0.95003 0.52913 10.16200 GGGGG ????? 1 0.94707 0.63977 10.13100 FLLLL ????? 1 0.93303 0.69378 9.98400 LIIII ????? 1 0.90304 1.02376 9.67000 YNNNN ????? 1 0.91708 1.02276 9.81700 LVVVV ????? 1 0.92004 0.97022 9.84800 TEQQQ ????? 1 0.92310 0.87732 9.88000 AAAAA ????? 1 0.92806 0.87630 9.93200 PAAAA ????? 1 0.94010 0.83887 10.05800 AAAA ???? QQQQ ???? *