[Wed Aug 24 19:31:12 2016] >Input file: TM3ODUATD.pdb >TM segments: A46-61_A76-91_A114-132_A155-169_A202-220_A240-253_A290-304_B47-62_B76-90_B114-132_B154-168_B202-220_B240-253_B290-304 MAIDEN score = -78.6054 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 ----------- ---------------- D84B-C295B 10 C251A-A291A 10 D84A-C295A 10 C251B-A291B 1.41316977973418 I60B-L78B 1.24971868776219 I60A-L78A 1.22654217656247 I53A-L85A 1.2192364258714 I204A-I209A 1.18674477372675 I53B-L85B 1.15812959931696 I204B-I209B 1.13743451386698 F87B-I115B 1.08940202388856 M205A-L210A 1.06469371913189 M205B-L210B 1.04687731312593 W125B-V160B 1.03367538122191 I53A-V88A 1.01507510592086 W125A-V160A 1.00335832119917 I53B-V88B 0.968439561171816 G55B-C296B 0.936309843846515 V118A-A164A 0.87499925891585 L80A-I126A 0.862162464598509 V156A-W161A 0.84287472717955 V156B-W161B 0.841210440393008 G55A-C296A 0.839849434839556 L127A-I245A 0.837969373403966 L80B-I126B 0.832278792506036 F49A-L91A 0.829518202645475 F87A-I115A 0.82456445731016 F129B-V156B 0.817766858426497 I53B-I89B 0.815973616374842 L132A-C218A 0.81143412189858 L127B-I245B 0.810163525429999 H203A-L208A 0.781470254241117 L132B-C218B 0.780572432018096 I126B-V160B 0.767189362620989 F129A-V156A 0.75289862269679 I130A-T241A 0.748723962006734 W252A-A291A 0.748610164078576 I130B-T241B 0.73889666360766 V118A-L165A 0.738600138169371 C251A-F292A 0.737293061788954 V118B-L165B 0.734781693428993 V59B-L78B 0.727301534434452 N56B-V82B 0.716450510748143 N56A-V82A 0.709634144783591 V118B-T168B 0.708049329980546 G52B-C295B 0.695916116623788 I53A-I89A 0.693534497004729 Y76B-I130B 0.682332588833915 A128A-I215A 0.680733803747216 F49A-V88A 0.677334635156486 I60A-V82A 0.674665078625358 I48A-F292A 0.670492189571567 F49B-V88B 0.661750158541399 I48B-F292B 0.656932017004713 L86A-I115A 0.656739666009654 Y76B-F129B 0.653220229853131 V118A-T168A 0.650074545609791 C251B-F292B 0.648804887792103 L85B-C295B 0.641853641905302 V59A-L78A 0.631840230803482 Y76A-I130A 0.626870557760419 Y76A-F129A 0.621887866668049 L85A-C295A 0.611520847784047 N56B-C296B 0.610158590013853 H203B-L208B 0.608334650575722 F49A-I89A 0.595386663235574 L244A-L297A 0.587841326570586 Y76B-I126B 0.571500527277767 Y76A-I126A 0.565629308087147 I60B-V82B 0.562638942690153 H79B-I126B 0.55649063602467 Y121B-V160B 0.551720994869084 I48A-V88A 0.551221193234275 I48B-V88B 0.55116004500713 I126A-V160A 0.550162965550869 W252A-F292A 0.548394826943879 A128B-I215B 0.547541903268861 F248B-L297B 0.542369880659277 V114A-T168A 0.533943348078534 A83A-V118A 0.532047282528348 S46A-L91A 0.529919854134147 F248A-L297A 0.515421273190819 L86B-I115B 0.512897606752414 W252B-A291B 0.512634300418624 L244B-L297B 0.511253468218193 Y157A-I162A 0.50654289981406 Y121A-V160A 0.500271189475323 I48A-C296A 0.495829993701892 V118A-W161A 0.495722798248483 L58A-P299A 0.489072856740847 I48B-C296B 0.486993745746484 L132B-I215B 0.479806998029426 D84B-F292B 0.473551369729141 L80B-S122B 0.468890858426599 F49B-I89B 0.464206545536606 I48A-C295A 0.463319991078009 S131A-Y219A 0.459739534124063 D84A-F292A 0.456553765721172 L132A-I215A 0.456476880610922 T51B-C296B 0.455877689589228 L80A-S122A 0.455469123685433 V59A-R77A 0.450048282819661 T117B-A164B 0.449117308267137 T117B-T168B 0.448733122119978 N56A-C296A 0.447847010532941 V118B-W161B 0.447341982518575 Y157B-I162B 0.446285262978194 V59B-R77B 0.446173169854011 T117A-A164A 0.44505966119257 W252B-F292B 0.441409310150116 H79A-I126A 0.440210749990182 G52A-C295A 0.431340348553014 R77A-V82A 0.428308206123678 L58B-P299B 0.427228884249759 T117A-T168A 0.424205675592388 I48B-C295B 0.421838608482845 I48B-F293B 0.420190855971967 A83B-V118B 0.419254085605242 I47B-G52B 0.41831973461911 S131B-Y219B 0.416826354994924 T51A-C296A 0.412418046049725 N56A-C295A 0.408769665074432 L132A-V214A 0.407298064717006 V114B-L165B 0.405028246013701 V88B-C295B 0.404450453085099 R77B-V82B 0.401885103744149 L132B-V214B 0.397307793535374 W125A-V214A 0.391414642023893 K154B-C220A 0.390501973297909 V114A-L165A 0.389366778858349 V118A-L167A 0.386945915220981 W125B-V214B 0.386553692632989 N56B-C295B 0.383382662567605 V124B-P211B 0.382341190416528 V124A-P211A 0.379927255316119 Q202A-G207A 0.377088187799023 Y76A-L127A 0.376661489788573 S131B-T241B 0.372559281591187 N119A-A164A 0.372115147397009 Y76B-L127B 0.372036101445011 T117B-L167B 0.369964413267646 T240B-L301B 0.367881066167655 G57B-C296B 0.367816360495462 V155A-W161A 0.36654672084996 V59B-P299B 0.363414626003771 I48A-F293A 0.362428348771659 G57A-C296A 0.361289458691204 V88A-C295A 0.360787762882143 Y121B-V158B 0.356899931983584 W252A-L290A 0.35571388060912 V155B-V160B 0.355110828795945 T117A-L167A 0.353882212943184 S131A-T241A 0.351985927686629 I47A-G52A 0.344017860756866 A247A-L297A 0.34319907730984 V118B-L167B 0.343190738915818 G55A-I300A 0.342373427028799 C218B-T241B 0.339616448480864 Q202B-G207B 0.339518953063637 A247B-L297B 0.339100202733486 D84B-V124B 0.336099073980372 V54B-D84B 0.33464239757352 S122B-W161B 0.334208789188489 W252B-L290B 0.333509637592943 G57A-Y302A 0.33236897203638 H79B-N119B 0.328585291127446 V82B-Y116B 0.326307236798416 G55B-I300B 0.325184682329568 D84A-V124A 0.322539521013695 H79B-K154B 0.321426922704532 V124A-L208A 0.320511424193481 C220B-I245B 0.320470674005059 V206A-P211A 0.317612376700087 Y76B-G159B 0.317060706174514 A247B-H294B 0.316719132151961 L127A-I215A 0.316310384814132 W125B-V156B 0.315629844653132 V54A-D84A 0.312812453684668 L244B-N298B 0.310332605534819 H79B-G159B 0.310018729455932 H203A-G212A 0.308405384150454 C218B-V155A 0.307848182953323 S131A-V214A 0.307811724048581 I130A-C220A 0.307694238832016 L244A-N298A 0.307472769039728 V118B-C295B 0.307346643886029 L80A-N298A 0.307070204670926 C218A-T241A 0.305927589577292 L80B-N298B 0.304360356556063 V160A-M205A 0.303798642307958 R77A-L127A 0.303267401026616 I130B-C220B 0.302438504242575 F248A-H294A 0.302224334892748 G57A-L85A 0.301888464351041 V59A-P299A 0.301175516583698 L253B-A291B 0.299139608968372 V114A-I169A 0.298668473158529 V82A-Y116A 0.298667521217586 R77B-L127B 0.29823351625727 N56A-H294A 0.296940808699464 D84B-C296B 0.296930554854522 V155B-W161B 0.296797410249451 V124B-L208B 0.296602223874248 D84A-C296A 0.29379124969479 V118A-C295A 0.293725882860775 V82B-Y121B 0.293405995638901 I126B-V156B 0.29228131317466 Y121A-V206A 0.292210714052461 F129A-I215A 0.292037273315033 I126A-V156A 0.291509819555579 L244A-L301A 0.290985543067089 G57A-L80A 0.290189397347953 G57B-L80B 0.290091623138147 C220A-I245A 0.289403051128364 T90A-C295A 0.287181329944307 V155B-C218A 0.286994308089457 T90B-C295B 0.286913461748235 H203B-G212B 0.286111117604985 N56B-H294B 0.284789211476292 T90B-I115B 0.283501794103734 F87A-Y116A 0.282125809222098 L253A-A291A 0.278765514361842 L127B-I215B 0.278613760653713 L127B-G207B 0.278012806565783 V82A-Y121A 0.27790502337865 A83B-S122B 0.277133400576247 Y121A-V158A 0.276948968261747 G159B-L166B 0.276766364148544 C251B-N298B 0.276632934978673 L167B-G207B 0.276480244714151 S123A-P163A 0.275860373003984 L167A-G207A 0.275132117705447 W252A-H294A 0.272695384625916 V206B-P211B 0.272269782211563 C251A-N298A 0.270525335699862 Y121B-H294B 0.27017309234234 W125A-V156A 0.27012860424686 S131B-V214B 0.269858380927569 A128A-G159A 0.268279028640181 Y121A-H294A 0.267266812371949 H79A-N119A 0.266314023871983 H79A-G159A 0.265211535823135 F87B-Y116B 0.264442140273469 L127A-G207A 0.263663492480771 S123A-N298A 0.263247275994072 L132A-S217A 0.261343478191706 V124B-V206B 0.261001548900832 L86A-N119A 0.260080345773638 G52A-L85A 0.260075734899614 Y116A-H294A 0.259131085913101 H294B-L301B 0.258589621029109 W125A-W161A 0.2570122861278 D84A-H294A 0.255891785130833 C251B-L290B 0.255596814451245 V124A-G207A 0.255586071177041 S123B-N298B 0.251411212149522 L244B-L301B 0.250589980708283 F129B-I215B 0.250513035588822 F129B-G212B 0.250077587740427 L85A-P299A 0.246019459185104 I60B-R77B 0.244892301646731 F49B-G57B 0.24356411100588 T117A-W125A 0.243031460068506 D84B-Y121B 0.242765497787301 A247A-H294A 0.242759719897792 C251A-L290A 0.242551695504873 L50A-T90A 0.241870213836315 L86B-T117B 0.241576686792239 L78A-N298A 0.241218794824528 P163A-T168A 0.238553798177801 P163B-T168B 0.2382387424679 T240A-L297A 0.238107615154546 I60A-R77A 0.237144468442121 L85B-P299B 0.236866398027449 F248B-H294B 0.235488287006331 L253B-H294B 0.235035490262749 G207A-F249A 0.234948332198802 W125B-H203B 0.234485066932705 V160B-M205B 0.234226109228139 Y121A-F248A 0.232518685901404 P163B-Q202B 0.232389094873871 S122A-H203A 0.23123715675642 W125A-H203A 0.228620923325907 W125B-W161B 0.228313886979006 L86A-T117A 0.226805561803334 T117B-W125B 0.225544990145621 I126B-V214B 0.223775091451853 I126A-V214A 0.223632870691777 L50B-T90B 0.223312278730355 G57B-Y302B 0.220808440216098 A128B-F248B 0.220696486263754 Y116B-H294B 0.220198143367654 L86B-N119B 0.219988928708108 L132B-S217B 0.219690809028471 A83A-S122A 0.217160178133193 T240B-L297B 0.215867222942752 T240A-P299A 0.215798594935819 W161B-T168B 0.214061444569927 V124A-V206A 0.213891992506825 T117A-W161A 0.213592103738445 G52A-D84A 0.213477560167233 S122A-S131A 0.213101652732974 W252B-H294B 0.212516720786316 W161A-T168A 0.211520974833932 I48A-I53A 0.211007043546463 S123A-V206A 0.210852739490514 T117B-W161B 0.21057907735934 H203A-P211A 0.210485409129717 S122B-V158B 0.209973074090844 T51A-T90A 0.209652053370326 G159B-I213A 0.209343466569562 T168B-G207B 0.208904806740686 G57B-N298B 0.208373251924264 R77B-N298B 0.207904114042533 S217B-V155A 0.207854375970471 T241A-I300A 0.206112552184518 V155A-V160A 0.205994043442905 T241B-I300B 0.205648487469809 I245A-C295A 0.205573252219877 S122B-H203B 0.205209554689561 I245B-C295B 0.204792899138936 Y76B-K154B 0.204751111749179 Y121B-F248B 0.204494598016055 F129A-G212A 0.20439345040942 S123B-A291B 0.204000183960055 H203B-P211B 0.203771488901762 N119A-L166A 0.203526445160484 S123B-P163B 0.203502028268871 A250B-F292B 0.203365739556418 G212B-F248B 0.202750342848724 H203A-W252A 0.202681009994022 V158B-P163B 0.202677359980817 H79A-Y121A 0.200885209068193 S122B-S131B 0.199053730415485 D84A-Y121A 0.198845964083453 R77B-V124B 0.198229009016918 H294A-L301A 0.19819945062758 H79B-Y121B 0.197639905517248 S123B-V206B 0.197018332404347 C251A-H294A 0.19688723503933 L132A-P211A 0.196870377026627 R77A-V124A 0.196539290979531 I243A-C251A 0.196266557146023 Y76B-P299B 0.196004200885873 H79A-V118A 0.195327569953194 N119B-P163B 0.195259750156378 W125B-G207B 0.194836459759893 L78B-N298B 0.19481318974009 T90A-I115A 0.194758126719223 V118B-A164B 0.1943654547219 T51A-N298A 0.194018038261281 S217B-V158A 0.193644027290906 L80A-N119A 0.193566059301787 V82B-Y157B 0.19356243392155 V124B-V160B 0.193476586023559 L50B-C295B 0.19297808432763 L85A-N119A 0.192359301097725 G52A-A83A 0.192132175963482 G52B-D84B 0.191958524102851 I126B-G159B 0.191178624417236 H79A-V155A 0.190791392401984 T51A-D84A 0.190669040232513 G57B-L85B 0.18966509087322 D84A-T117A 0.188760863965049 G207B-F249B 0.188673453427985 I48B-I53B 0.188232170809676 S123A-M205A 0.188116423752482 F249A-N298A 0.188017755770221 S123B-M205B 0.1879938250061 L80B-N119B 0.187111936977331 L58A-S81A 0.187088325136765 L253A-H294A 0.186960434582128 L50A-C295A 0.186840334174858 T51B-T90B 0.186797392286321 C220B-V242B 0.186775402323148 N119B-F248B 0.186618969858099 T51B-N298B 0.18564647669738 S46A-N56A 0.185314990782703 H79B-V118B 0.184815593651664 I243B-C251B 0.184713643341587 N119A-H294A 0.184403066758577 L91A-C295A 0.183246251535713 F249B-N298B 0.183213410332832 S81A-N119A 0.18297578398071 S81B-C295B 0.182411102842568 G52A-C251A 0.182108468254311 I126A-A164A 0.18119788260652 V124B-G207B 0.180388695391485 T168A-G207A 0.180267082220158 D84B-N298B 0.180266233519164 A83A-H294A 0.179944915355352 Y76A-G159A 0.179877353435842 V62B-S81B 0.179701592368767 D84B-T117B 0.179548887837689 G52A-L301A 0.179296870356201 S123A-Y157A 0.17906015103842 H79B-V155B 0.17891359215317 S81B-N119B 0.178863129604316 N119B-H294B 0.178443534656099 R77A-W125A 0.178438416240034 N119A-F248A 0.178354677354182 L290B-C296B 0.17819823279568 N119B-L166B 0.178190542596381 L132B-P211B 0.178183107278725 S123B-V156B 0.177753682539071 N119A-F293A 0.177507444503946 R77B-W125B 0.17723350850981 G212A-L246A 0.177123606582093 W125A-P211A 0.177028949596428 S122A-V158A 0.1767440178947 L120B-G207B 0.176262261486413 A128A-G212A 0.176101393648989 S81A-C295A 0.175794790243476 S122A-W161A 0.175485187129773 G52B-Y302B 0.17533897848135 G55A-F293A 0.174906311908608 P211A-L246A 0.174722734082574 N56B-F292B 0.174478147369616 S123B-Y157B 0.174203008788176 L290A-C296A 0.174074547598007 N56A-F292A 0.173686757436607 Y121A-Y157A 0.173302442204572 T51B-F292B 0.172426544035318 L127B-C218B 0.172219080495613 W125A-C218A 0.172097809195586 P163A-Q202A 0.172013879032767 V88A-V114A 0.171992769471483 S81B-L120B 0.171473635100516 V82B-V124B 0.171430798719539 G52B-A83B 0.170520713258463 L127A-P211A 0.170495267215248 L58B-S81B 0.170144361583624 G55A-L78A 0.169729791967084 L244A-C295A 0.169704652852505 V158A-P163A 0.169696953902386 D84A-V114A 0.169246778753918 C295B-L301B 0.16863887366763 G52A-Y302A 0.168476757657428 S81A-L120A 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