[Mon Aug 29 18:10:20 2016] >Input file: TMQ8IUR5S7G.pdb >TM segments: A645-680 MAIDEN score = -5.1893 Below is the ranking list of the residue pairs and their related pseudo-energy (the lower, the better). This includes inter-chain residue pairs. The maximum (least favorable) pairwise energy value has been set to 10. See the MAIDEN software article: Postic,G., Ghouzam,Y. and Gelly,J.C. (2015) Biochimie, 115, 155–161. ----------- ---------------- Calpha pair Empirical energy ----------- ---------------- H650A-R675A 1.32573315003063 M653A-W672A 1.11199101919202 V654A-W672A 1.01561093611547 H650A-L677A 0.834151148049536 G657A-W672A 0.770190938331835 M653A-A676A 0.751054879703661 V654A-A676A 0.747442854182548 V654A-R675A 0.676674273229189 L656A-W672A 0.538437597937291 L656A-A669A 0.519515569729373 H649A-V679A 0.502036260253683 R661A-M668A 0.473333610546224 H650A-Q678A 0.417244784057029 N655A-W672A 0.383913226299464 L659A-A669A 0.383087493380581 V654A-L677A 0.365266633538222 M653A-K674A 0.363290563426933 G664A-E670A 0.344320978316493 E670A-Q678A 0.337257364141066 V651A-A676A 0.325383778825708 M653A-Y673A 0.323512433032979 G657A-M668A 0.306061075616095 H649A-G657A 0.294453888620199 H650A-A680A 0.294388220771341 H649A-K674A 0.282909176603269 L656A-R661A 0.278338144771329 V651A-V679A 0.276835003962465 R658A-L663A 0.274174510181161 R658A-E665A 0.273525860627466 A652A-A680A 0.268486230072769 L656A-Y673A 0.258628467870579 Y673A-Q678A 0.258175694510496 Y660A-N666A 0.257344817439334 G657A-E670A 0.256327432108031 Y660A-S667A 0.255193993619832 N655A-S662A 0.227727852255028 S648A-V679A 0.220991941158723 M653A-R661A 0.207606952780962 P647A-W672A 0.206648701153563 S648A-K674A 0.202479793271474 A652A-A676A 0.197108608106106 H649A-E671A 0.190471826418889 M653A-S662A 0.186485414629326 R658A-E670A 0.181653574945525 E671A-Q678A 0.178532992465238 E665A-Y673A 0.16755484641865 M668A-R675A 0.166549220545246 H649A-R675A 0.165998081529042 S648A-Y673A 0.165527534342133 N655A-L663A 0.164802418444817 R661A-R675A 0.164758192015432 L656A-G664A 0.160963913131281 S662A-Y673A 0.159296271660692 Y660A-M668A 0.153560143460019 E671A-A676A 0.151994817947492 S648A-W672A 0.146629765037413 Y660A-Y673A 0.139521629916447 R658A-A676A 0.139138512518249 R661A-K674A 0.134891098609551 N655A-N666A 0.130371290224716 P647A-Y673A 0.128562889531005 H650A-A676A 0.125202109293721 S648A-L656A 0.124773152928126 R658A-S667A 0.124732815276734 N655A-A680A 0.124726039219063 N655A-E665A 0.123851967861194 R658A-G664A 0.121777226276329 S646A-A676A 0.121722648804028 N655A-S667A 0.119860046927294 S667A-A676A 0.117119638498108 L656A-A680A 0.115273068722635 H649A-A676A 0.11393299236765 A652A-Q678A 0.110387500786011 N655A-K674A 0.108869631518515 H649A-L677A 0.106423317649387 R658A-Y673A 0.10605219258671 Y660A-E670A 0.1058950345934 M653A-S667A 0.105758336008327 H649A-Y673A 0.103772615667757 S646A-A680A 0.10259005633378 N655A-R675A 0.0992518452401532 S648A-V654A 0.0918496763640029 L645A-V651A 0.0880222027557027 R658A-L677A 0.0858646788329513 G657A-L677A 0.084600953040141 M668A-A676A 0.0829149996467719 A652A-L677A 0.081987070497016 L645A-L656A 0.078599218629523 E671A-L677A 0.0759765582400498 S648A-L677A 0.0749103286136918 L656A-E671A 0.0746924251306507 V654A-S662A 0.0742182971162695 H650A-E670A 0.0725567401277121 M653A-E665A 0.0712341038107422 A669A-K674A 0.0693984268468828 V654A-N666A 0.0611833167350877 G657A-E671A 0.0578745889725682 N655A-Y673A 0.0564828346490567 L659A-A676A 0.0555133931114316 V651A-Q678A 0.0541103409155319 H649A-W672A 0.0507882431876543 L659A-S667A 0.0489823722356046 L663A-E670A 0.0458017454041277 R661A-S667A 0.0452748271052257 S648A-N655A 0.0424399212774964 G664A-E671A 0.0396754033630264 N666A-K674A 0.0387238841366901 L656A-S667A 0.0369801354693564 S646A-V679A 0.0352842121993465 L656A-E665A 0.0272897986221858 V651A-K674A 0.027211894824153 L659A-E670A 0.0262179076106912 H649A-R658A 0.0250572292137972 M653A-E670A 0.0244446553900229 V651A-A669A 0.0214336361030414 N655A-Y660A 0.0194131102841388 N666A-A676A 0.0189574950602838 H649A-A680A 0.0188619464641193 E671A-V679A 0.0183995331031099 N655A-E670A 0.0182466602700204 S667A-K674A 0.0180339855868277 G657A-A680A 0.0177500348100592 S646A-N655A 0.0174101102859447 K674A-V679A 0.0170302164224241 L659A-M668A 0.0167617164716471 A652A-V679A 0.0163310715759963 R658A-W672A 0.0155521290656366 H649A-V654A 0.0134939593194425 A652A-A669A 0.0117976929457806 A652A-Y660A 0.0116220221587763 V651A-L656A 0.0108679828149363 A652A-M668A 0.0104939679006693 L656A-L677A 0.009884788381191 L645A-H650A 0.00959047105594454 S662A-S667A 0.00420930151639087 N655A-V679A 0.00339009937461499 K674A-A680A 0.00300194898098283 S646A-W672A -0.000910251358326342 R661A-E671A -0.00443604630719063 P647A-Q678A -0.00721510779610046 H650A-V679A -0.00725774981152999 M653A-M668A -0.00733388141413505 S648A-E671A -0.00838747418290336 N666A-R675A -0.00899113744651858 S662A-E671A -0.0103079114066095 S648A-G657A -0.0107208951317559 H650A-G657A -0.0115454490852374 A652A-E671A -0.012462739718595 L659A-E671A -0.0126140852204397 R675A-A680A -0.0136123914105134 P647A-A680A -0.0152493621070402 P647A-V654A -0.0160160608766158 L645A-A652A -0.0164723817135304 E670A-L677A -0.017153205050791 N666A-W672A -0.0180315420896011 L645A-M653A -0.0182721181087206 E670A-R675A -0.0207584500364921 R658A-E671A -0.0208187510059028 M653A-A669A -0.0210137784411502 A652A-K674A -0.0249226870562547 P647A-G657A -0.0262379979062359 L656A-M668A -0.026494126673394 M653A-V679A -0.0267317606638697 S662A-W672A -0.0299146638068644 G657A-V679A -0.030498646075654 E665A-K674A -0.0311423757300055 S648A-Q678A -0.0316136490841903 E671A-A680A -0.0322331256261662 Y660A-A676A -0.0338178065142314 L656A-N666A -0.0339719703237251 W672A-A680A -0.0356980316675584 H649A-N655A -0.0363015713877778 L663A-A669A -0.0404052534089469 L656A-A676A -0.0412424213250122 S646A-V654A -0.0423577198810059 L659A-Y673A -0.0424195824155085 N655A-E671A -0.0424916139447344 R661A-W672A -0.0457863575869306 H650A-N655A -0.046402697847352 H650A-E671A -0.0496517819992226 H650A-L659A -0.0499630770033161 S662A-E670A -0.0509470572161468 R661A-E670A -0.0528692013174084 N655A-L677A -0.0533320503184029 L663A-W672A -0.0544513327308271 N655A-G664A -0.0565450617042256 V654A-M668A -0.0566132335816167 L656A-E670A -0.0572049590819788 G657A-R675A -0.0587960555425133 V654A-L663A -0.0597066991830761 R658A-K674A -0.0605671511957429 M653A-E671A -0.061004814015897 S646A-L656A -0.0654227053926699 G657A-G664A -0.0664683018570802 R658A-R675A -0.066655197295778 P647A-L677A -0.0667193411990363 S646A-R675A -0.0681991381492484 Y660A-K674A -0.0702651116334305 L659A-R675A -0.0703748965623361 V654A-S667A -0.0725720057150965 W672A-V679A -0.0752678815810865 V651A-Y660A -0.0770854799988259 A669A-L677A -0.0812118711993053 S667A-W672A -0.0818997671312844 A652A-W672A -0.0820067347405056 S667A-R675A -0.0834289600137262 P647A-L656A -0.0841730959387519 A652A-E670A -0.0848551379448406 Y673A-A680A -0.0849118349250888 Y660A-R675A -0.0851440034192049 S648A-R675A -0.0862763981179888 G657A-Q678A -0.0867180402993757 A669A-Q678A -0.0885299851502466 L663A-Y673A -0.0886337436913163 L656A-Q678A -0.0918516140375647 R661A-Y673A -0.0927631488870697 M668A-K674A -0.0937775433653658 P647A-N655A -0.0940153568720787 H650A-A669A -0.0959272375432167 M653A-Y660A -0.096470609725171 M668A-L677A -0.096597125108988 E670A-A680A -0.0981955607336578 L656A-L663A -0.101401333333835 S667A-Y673A -0.10516010895935 M653A-R658A -0.106975826161276 V654A-K674A -0.107695566788082 S662A-M668A -0.10859923996878 G664A-Y673A -0.109032152164587 L656A-V679A -0.109108358101222 E670A-A676A -0.11577465527433 W672A-Q678A -0.117786854346583 A652A-Y673A -0.118663045977502 G657A-S667A -0.119155627162213 E665A-E670A -0.121017511752374 L659A-E665A -0.121565649553804 H649A-L656A -0.122420837300707 V654A-E670A -0.122977499418872 S648A-M653A -0.125283555631106 Y660A-E665A -0.126757031115004 N655A-M668A -0.128119778899636 Y660A-W672A -0.129059755711753 E670A-V679A -0.138154015914202 H650A-L656A -0.139578745269324 V651A-L677A -0.144052452021647 P647A-M653A -0.144568671920389 V651A-L659A -0.14569739181085 V651A-E670A -0.147215267223578 E665A-W672A -0.149400603177717 H649A-Q678A -0.149495995274294 V651A-R675A -0.156389095470668 G657A-N666A -0.16240361173619 N666A-E671A -0.162758757064368 H650A-K674A -0.163345381662044 V651A-R658A -0.163376186525383 V654A-R661A -0.163594922593314 L663A-E671A -0.164517246349409 S646A-M653A -0.164673671467046 N655A-Q678A -0.165063661209667 A652A-R675A -0.17045970724485 A669A-R675A -0.17050640529431 N655A-A669A -0.172342562155095 P647A-A676A -0.172561004194903 M653A-Q678A -0.174273132842383 N655A-A676A -0.176507381762288 A652A-R661A -0.178079499334553 H650A-R658A -0.180272934256183 V654A-Q678A -0.184328256101395 V654A-A669A -0.186838786973116 R661A-A676A -0.189085105181019 V654A-L659A -0.19107359988601 A669A-A676A -0.19145564008522 L659A-K674A -0.19159540399033 V654A-E665A -0.191884026800909 V651A-E671A -0.193346996981674 M653A-N666A -0.194404571720057 E665A-E671A -0.195152848032354 L656A-K674A -0.195346114292606 L656A-R675A -0.201753836452695 A652A-R658A -0.203271301012681 M653A-A680A -0.203346916223407 Y660A-E671A -0.2035378086453 S646A-A652A -0.206065004320349 L659A-N666A -0.207828188574089 V651A-G657A -0.210083820911728 G664A-W672A -0.212458812079209 M668A-Y673A -0.215460998119895 P647A-V679A -0.220100424856182 R661A-N666A -0.223206524191265 G657A-S662A -0.223648334971886 S648A-A680A -0.227761497883268 W672A-L677A -0.228490240652709 R658A-M668A -0.229178929579286 H650A-W672A -0.230730307297884 M653A-R675A -0.233113666031699 V654A-Y673A -0.236795386777921 P647A-K674A -0.237992329681832 G657A-K674A -0.252472833972202 N655A-R661A -0.258988770170548 P647A-R675A -0.260549859727456 V654A-E671A -0.263781528275834 A652A-L659A -0.269679631635579 R658A-N666A -0.271594896755029 G657A-E665A -0.274765461048373 L659A-G664A -0.284745310973268 P647A-A652A -0.294300025774813 L659A-W672A -0.30278351433964 L656A-S662A -0.314877855222158 M653A-L677A -0.318542730175219 G657A-L663A -0.319120839369588 R658A-A669A -0.321347129550328 S646A-V651A -0.336895816094721 P647A-E671A -0.341351789622766 V651A-Y673A -0.345886945533306 V654A-V679A -0.347269411273639 V654A-A680A -0.358311290395022 S662A-A669A -0.368146551460564 V651A-A680A -0.373286395964477 Y673A-V679A -0.384983327145949 V654A-Y660A -0.385031423539577 V651A-W672A -0.393074350019921 Y660A-A669A -0.399568671106196 M653A-L659A -0.400955734737606 A652A-G657A -0.411899876264944 G664A-A669A -0.417823236076758 H650A-Y673A -0.422199548031556 L663A-M668A -0.482184068714191 G657A-A676A -0.486161134871541 N666A-Y673A -0.491540430994168 S648A-A676A -0.499356418694879 R661A-A669A -0.637382511184328 G657A-A669A -0.732946328305489 G657A-Y673A -0.786726912323101