[Wed Aug 24 18:48:57 2016] >Input file: TM3EFFATD.pdb >TM segments: K23-47_K86-114_M90-111_L90-114_N28-50_N86-111 MAIDEN score = -78.8479 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 ----------- ---------------- A47N-R89N 0.981551310790563 A47K-R89K 0.887714792697567 A47N-W87N 0.77847453338985 L110N-L105K 0.72282895705617 W26K-A31K 0.714176659809264 A50N-W87N 0.681309884078981 L46K-V91K 0.672751915791176 L36K-A98K 0.670972205184695 V39N-A98N 0.632873204700341 A108L-L110K 0.610325890211254 A109L-F114K 0.602132372525717 A108L-F114K 0.601663604710802 L36N-S102N 0.577012100313944 V48N-G88N 0.540446251873233 L110M-L105N 0.534539382758558 L46N-V91N 0.513278394121757 L36N-A98N 0.475560292832354 A29K-V106K 0.435823139410324 L105L-L110K 0.433170766872781 A47K-W87K 0.429521523292816 G43N-V48N 0.429075043699337 A108M-T107L 0.426149441720245 R89N-V94N 0.42553344470403 R89K-V94K 0.419647289350938 A111N-T112K 0.415982542664937 T107N-L105K 0.408095436878043 T112L-A111K 0.407953490449864 V39K-A98K 0.404989663982586 L40N-V95N 0.400058844324041 A108M-A108N 0.396179963351142 T107L-T112L 0.385392495769509 T33K-S102K 0.385146336267213 A29K-A108K 0.377409123656074 A111M-A111K 0.377316574843153 A32K-A109K 0.377149810877725 A108M-A111K 0.375797322426194 L36K-G99K 0.369645533464954 L105L-T107K 0.368092010479425 A111N-A111K 0.366556235097279 F103M-I100N 0.363862410453949 A108M-L110L 0.3617065778913 T101M-T107L 0.3600884219837 A32N-S102N 0.359513954625981 A42K-A98K 0.359321362855315 T107K-T112K 0.357177527143336 Y45K-V94K 0.356146831355109 L110M-A108N 0.355538592314568 T107M-L105N 0.351028452448634 L40K-V95K 0.345555488327653 V39N-V95N 0.345322314985537 Y45N-V94N 0.331991564142269 A109L-A108K 0.331191119977537 A108N-A109K 0.328971723645478 F103N-I100K 0.326624843850724 I100L-F103K 0.326374984556018 A47K-V91K 0.324811818088929 V106M-M96N 0.323510864988753 V39K-V95K 0.310396296206642 L46N-G88N 0.308554573353816 G104M-G104K 0.308461283346765 Y45K-R89K 0.308072870728878 G43N-A92N 0.305327170049134 L24K-A29K 0.296835174345653 A31N-L36N 0.296581914132636 A31K-L36K 0.294060156230925 G30N-S102N 0.292840289174181 Y45N-R89N 0.288990591832067 L35N-G99N 0.284816597117292 G104M-L105N 0.283549062457648 G104N-L105K 0.283003344632094 G104M-L105L 0.281836009467601 V39N-V91N 0.279354300786354 A111N-A109K 0.277391379161193 T107M-T107L 0.276131361247238 A108M-A108K 0.275300363055488 A108L-A108K 0.274431878597828 T107N-T112K 0.274300132780857 V39K-V91K 0.268263334816735 A108L-T107K 0.260465776605444 A50N-A92N 0.258027336439978 G104L-A111L 0.256685526628335 A111M-A111N 0.255182652175905 G104L-F103K 0.250818245365636 L105L-G104K 0.249721080719083 T33K-T107K 0.240508219300819 Y45N-A92N 0.239815610467178 G104L-S102K 0.239262971900542 M96M-V97N 0.23924343662897 A108N-A108K 0.235602434509897 G104N-G104L 0.234555840077048 L35N-T101N 0.233469992956575 A111M-L105N 0.228751248360012 T101L-T101K 0.228352582054379 A47N-A92N 0.227878314938523 T107N-A108K 0.223784602985621 A42N-G88N 0.223632620558325 Y45K-A92K 0.213162905821251 G104L-T101K 0.211761447264021 V37K-M96K 0.210831638139152 S102M-V97N 0.209465433870945 S102N-V97K 0.208191724733488 V97L-S102K 0.206816414705017 L36N-V95N 0.204543925410909 T33N-L105N 0.203591788129575 G104N-A108K 0.203238204109174 L41N-M96N 0.20211812942141 M96L-L40K 0.200684167171396 L105L-V106K 0.199428772706335 G104L-T112L 0.195409600092102 L36K-S102K 0.192889938586091 A111L-A111K 0.192133008431117 V106N-L105K 0.191277951384593 T101M-A109L 0.190137569065083 T107N-G99K 0.189950825838122 A28N-S102N 0.189362759172937 A108N-T112L 0.188238769514947 T101L-G99K 0.187399821881455 T107M-A109L 0.186563128819273 H25K-A32K 0.185021605769226 A109N-T112K 0.183660593942647 A28K-T112K 0.183421662072617 F103N-G99K 0.183194977816727 T107M-A108N 0.181322658630735 T33K-A109K 0.180862980760672 L105M-T107L 0.179842186741134 L35K-M96K 0.178657178694068 H25K-T33K 0.177960628779741 A111M-T107K 0.17730047209901 L46K-G88K 0.176417947278539 V39N-S102N 0.175046132426455 S44K-L90K 0.173342345407443 G99L-F103K 0.172684596211746 T107N-T112L 0.172541395225071 A42K-G88K 0.171703879173069 V106M-V106N 0.170897598265706 V37N-V94N 0.169635525865577 G104N-A109K 0.167629179430136 S44K-R89K 0.167100809608448 F103M-G99N 0.167036175214837 T107M-T112L 0.167004199590161 S102M-L110L 0.166986226095374 A32K-V97K 0.166941169760176 W26K-W113K 0.163467976804115 A98L-G104K 0.162860453084822 G30K-A108K 0.162248086305648 A29N-G99N 0.162247561241459 G43K-W87K 0.162245885916067 A111M-A108L 0.162011047684668 G99M-G99L 0.160757053534943 V39K-S44K 0.160686633015976 A28K-T107K 0.160479707280261 A31N-V106N 0.160479302705023 V106M-A108L 0.159699587181568 T107M-T101N 0.158915901380395 G104N-A98K 0.157726303112437 I38N-A98N 0.156765753757794 A32N-G99N 0.154791936456724 F103L-G104K 0.153472096668619 S44N-R89N 0.153341028850295 G104M-A111M 0.152999459790497 T33N-T107N 0.152430297814385 G43N-V95N 0.151757487451758 L105K-W113K 0.151366620616517 A111N-T101K 0.151309448191498 A29N-T101N 0.150648329433636 M96M-I100L 0.150643060171877 T101M-T101N 0.150369930039165 A47K-A92K 0.150069497745155 G104K-A111K 0.149854926172797 A108N-I100K 0.149718035133024 T33K-G104K 0.149686497995612 V106M-A98N 0.148789982671582 T101L-T33K 0.148438536529475 V34K-V106K 0.148207234153266 A42N-R89N 0.148059953760584 T107M-G99N 0.14771944978309 G99L-T107L 0.147581323464707 I100M-A108L 0.147290030813517 T107L-T112K 0.146983075584971 V37K-A42K 0.146918273841617 G104N-A111N 0.146695599871512 S44N-L49N 0.146500092334346 T101N-T101K 0.14628316562672 A109L-G104K 0.145519136056335 S102K-L110K 0.145435118351016 S102M-F103L 0.145260915527626 A108L-G104K 0.144163391504713 Y45N-L90N 0.144007800623608 V48N-V94N 0.143121580935081 T33N-I100N 0.142573772814197 H25K-A108K 0.142483320336103 S102N-L110N 0.142229855402349 G104M-A109L 0.142164578024487 G99L-T107K 0.141704099266819 A111M-A109N 0.139980816561525 V37K-V94K 0.139070610403132 S44N-V91N 0.137664075651146 L36N-G104N 0.13733536017741 L41N-G99N 0.137216728682435 Y45K-L90K 0.136786529180157 V37K-V106K 0.136448331657497 G99N-T107N 0.136037019533473 G30N-L105N 0.135175734449835 S44K-V93K 0.135167741833778 L36K-T101K 0.134876675365318 G30K-A98K 0.133607951788714 G104L-I100K 0.133448900386522 G99M-T107M 0.132682703841285 A31N-G99N 0.13264742875451 A29K-A111K 0.132208659111782 S102N-G104K 0.130645766181357 T107M-G104L 0.13000104144624 F103M-A98N 0.129923931611562 G104M-F103N 0.129877355259485 L35N-I100N 0.129414140631869 L36N-V94N 0.128405375100237 L36K-V94K 0.12837157433231 V97M-S102L 0.128206645994114 V106M-L110L 0.12807689724482 L41K-V91K 0.128046199837338 A109N-A108L 0.127913313146359 L46N-V95N 0.127902974854051 L41N-V91N 0.127796290130794 A31N-A98N 0.127481439806781 L49N-L90N 0.127447740084292 G99K-T107K 0.126864920327241 F103N-A98K 0.126756670905205 G88K-M96K 0.126708322281354 T107M-A98N 0.126221823175619 L105M-L105L 0.12610188888624 G104L-A29K 0.125775989143883 G104N-F103K 0.125502430074904 A31N-S102N 0.125386763924146 S102L-A111L 0.124891682016846 S44N-V94N 0.12446693067937 L105M-G104L 0.12407881780689 A109M-A109N 0.123754822826893 L41K-M96K 0.123330104044644 I38K-G99K 0.122342606994506 S102N-A111N 0.121610141921246 R27K-A109K 0.121318196742825 T101M-G104L 0.120970792042392 A28K-T101K 0.120902673100917 T107N-T107K 0.12068882351193 L41N-L49N 0.119986569907235 H25K-A111K 0.119563928650928 V97L-V34K 0.118957226983534 V39N-S44N 0.117873486894137 T101L-A111K 0.117839890754574 T33N-S102N 0.117754338486171 L105M-A109L 0.117719733221063 G104M-T107K 0.117651629047133 V37N-M96N 0.11757049095001 A92N-I100N 0.11725300822583 T101M-A111L 0.117004543541745 I100N-T101K 0.116623966966219 A111N-G104L 0.115924748595436 A29N-G104N 0.115911456227554 L40K-S102K 0.115641909489762 L40N-S102N 0.115530963605547 T101N-G104K 0.115375472073504 L105M-V106L 0.115104760450347 W26K-L35K 0.114531716811529 G43K-A98K 0.114228855560876 G104L-G99K 0.114195708852277 L110N-G104K 0.114141127380769 A92M-I100M 0.113785611901006 M96M-G99L 0.113360982219549 G99M-V93N 0.113093949444365 S102L-A109K 0.112937881386422 I100L-A108K 0.112688297722407 V93L-G99K 0.112292363830481 A111L-W113K 0.112013963996547 V97L-G104K 0.11171729073647 L35N-L105N 0.111691410353824 L110M-L110N 0.111599530971104 A29N-V37N 0.111450297177881 A29N-T107N 0.110913843677794 A42K-R89K 0.110847543900808 G88N-M96N 0.110839198229631 G104N-A111K 0.11082522854087 L36N-V97N 0.110331314719383 A29K-V37K 0.110146161154414 A42N-A98N 0.110092651467411 G99N-V93K 0.110039694861372 G43K-V95K 0.109953454505248 A109L-A109K 0.109858081648446 A42N-V93N 0.109682916755322 A111M-A108K 0.109508077167952 G99M-G104L 0.109365510322044 A28N-V37N 0.108937605097002 L105L-W113K 0.108241083650134 V34N-G99N 0.107382541169255 A98N-V97K 0.107128419336546 S102M-T107L 0.10641096816805 A42K-G99K 0.106372456246979 A108M-G104K 0.106214026407453 S102M-A108L 0.106027227279105 G43N-G99N 0.105784115853654 A32K-I100K 0.10552474983747 G104N-A108L 0.105111063240681 V106N-G104K 0.105033919838069 A109N-S102K 0.104855058727781 S102M-A111L 0.10386448099202 A98M-V106M 0.103416967430586 V97L-L40K 0.103162741410275 G104M-F114L 0.103040630912952 G99N-I100K 0.102957358728489 L35K-V106K 0.102868780403686 S44N-V93N 0.102642519476258 T101M-G104N 0.102231369172306 A108N-A109L 0.1019145313243 A109M-T107L 0.10164332839316 L86K-V94K 0.101633794596797 A108N-T107L 0.101329466110176 T107N-G104L 0.101033122575691 T107M-A111N 0.100692725973735 G104N-T107K 0.100643420671232 F103M-F103N 0.100535813064627 V34N-L40N 0.100533544433221 T112L-A108K 0.10038698489132 A98L-V106L 0.100346366771777 A92N-G99N 0.100319990801478 A111L-A109K 0.0997766902861965 A98M-V106L 0.0995796593002627 V39K-G88K 0.0995069467385097 I100M-T101L 0.0989438410656529 A108N-G104L 0.0985073900348267 S102K-A111K 0.098309390624675 L41K-G99K 0.0982419343810186 A32K-V95K 0.0976104826949831 V37N-A92N 0.0973688056016084 A111N-T112L 0.0973080505663746 A28K-A108K 0.0972913295993463 L86N-V94N 0.0972718135263424 S102L-L110L 0.097247687224943 A92L-I100L 0.0971003184108783 V39N-V48N 0.096936425008356 W26K-L105K 0.0969221133539264 V106M-T107N 0.0967736083425388 V106L-G104K 0.0967476809213152 G104M-T107N 0.0966054566664846 T107L-G104K 0.0964911023771073 A31N-T101N 0.0959915811387897 A28K-S102K 0.0955771968559613 L90L-L40K 0.0954460924247904 V94K-S102K 0.0948155891740896 M96L-S102K 0.0946024797602525 A28N-F103N 0.0945532250450878 A108N-L110L 0.0944618194939204 G104M-A98N 0.0944006694245383 G104M-V106N 0.0938298508454007 L105M-A108N 0.0935894026264639 L105L-I100K 0.0933338491533288 G104K-T112K 0.0932035785857019 V48N-V93N 0.0930853659063597 V34K-L40K 0.0930767856145582 A109N-A111L 0.0919327379071921 V106N-G99K 0.0916712158311443 V106M-A111L 0.0916150794136146 V106M-G99N 0.0909963189302185 F103M-A109L 0.0908578645134557 G104M-F103L 0.0908385965613161 G104M-G99L 0.09068905955005 T33N-G99N 0.0906399708977128 L86K-V91K 0.0903031496655871 A98L-F103K 0.0901457123119762 A31N-L105N 0.0899605178972305 I38N-V91N 0.0899557360193658 A92K-I100K 0.0897134906963917 G43N-W87N 0.0895183881634507 V97M-G104L 0.0890719334253602 V39N-A47N 0.0884039368642358 G30K-G104K 0.0883457217509513 L90N-V97N 0.0883399199494646 A109N-V106K 0.0878993981959084 A28K-V37K 0.0873454667298059 G104N-T107L 0.087318716630418 S102N-M96K 0.0872098026811048 A108M-L105L 0.0870738549113488 A92M-G99M 0.0870651094256223 T107M-G104K 0.0870557099811436 A98M-V97N 0.0866347953452387 F114L-F114K 0.0861306193036224 S102M-A98N 0.0857817970519363 I100M-T101N 0.0857781920917677 A31K-L105K 0.08559726588686 G43K-A92K 0.0854239652039954 V37N-V97K 0.0852698166532297 V106N-A111K 0.0852018888817287 T101M-S102L 0.0849650894854128 V39N-G88N 0.0848932446866429 V106M-A109L 0.0848108520215316 A47K-V94K 0.0848002689339347 V97L-T33K 0.084738859318807 T107L-F114K 0.0839312732332891 T107N-A98K 0.083881639539495 L40N-V93K 0.0838544427731138 A109M-A111N 0.0831988308839864 A111L-T112K 0.0828968110346211 G104N-V106K 0.0825613652078598 A32N-A109N 0.0825322394418788 M96M-S102L 0.0824919107334656 L35N-V94N 0.0823414474071695 V39K-T101K 0.0821526008679365 T107M-F103L 0.0820652159142581 V93L-L36K 0.081853529168626 A98N-V106N 0.0816243839058446 I100M-I100K 0.0815432884469869 G104N-T101K 0.0814867735930884 A29N-F103N 0.0813285884453512 L35N-V97N 0.0808713214523347 S44N-L90N 0.0807374445905684 A108M-A111L 0.079995608219541 V106L-F114K 0.0798262538323788 V94M-S102M 0.0789822735466252 M96N-I100K 0.0787783436920271 G88N-V93N 0.0787253787208302 A111M-T112L 0.0786885870900775 S102M-A109M 0.078475256433487 A42N-L49N 0.0780238381435785 V106N-T107K 0.0776148913107062 I38K-I100K 0.0775758886763516 T33N-V97N 0.077520406139346 V94L-S102L 0.0769725872171003 S44K-G99K 0.0769686033888599 H25K-F114K 0.0765846437702002 R89K-V97K 0.0764005203751138 T107N-V106L 0.0763546612017345 V94N-S102N 0.0763438147367719 R89N-V97N 0.0762523182782268 L110M-S102N 0.0756243607014118 S44N-G99N 0.0756093494189296 A29N-L110N 0.0753619532692404 A111L-V106K 0.075225389438164 A108M-G104L 0.0745112160903609 R27K-V106K 0.0739398536310738 A92L-L40K 0.0739184009676137 G30K-G99K 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