[Fri Aug 26 18:07:25 2016] >Input file: TMQ8BXQ3S4D.pdb >TM segments: A74-133 MAIDEN score = 44.3568 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 ----------- ---------------- S89A-L112A 10 H75A-L98A 10 S94A-V117A 4.34936384627224 P110A-L133A 1.96981961782089 T90A-V114A 1.46667203183972 L93A-V117A 1.25654399802213 I74A-L98A 1.23439540724475 H75A-N100A 1.08477172553208 L91A-L115A 1.05594090811186 L88A-L112A 1.05527157271366 L98A-N120A 1.01302655596143 Y107A-F129A 1.00092202201958 W76A-L98A 0.982110642814092 A102A-E126A 0.955577956571917 A79A-E104A 0.951504773438899 L101A-E126A 0.930978206709057 L109A-L133A 0.903132736096323 L98A-L122A 0.901220089376157 S99A-L122A 0.86588620990053 H111A-L133A 0.817580135316731 L101A-I125A 0.810175910492478 L80A-E104A 0.756607573332351 S94A-T118A 0.756604420744905 F82A-F106A 0.738646920436287 S86A-L109A 0.730625026456792 F106A-F129A 0.729270172687574 L88A-L109A 0.725993309148641 L112A-L133A 0.722709687505032 T90A-L115A 0.71615339952638 N95A-V117A 0.7050115913805 Q83A-L109A 0.7001088231086 Q83A-F106A 0.686533377223616 H75A-N96A 0.685277228702352 L77A-A102A 0.663895343957747 Y107A-L133A 0.662621881333439 F82A-A105A 0.643206597179266 Y107A-A130A 0.637129531839782 L88A-H111A 0.6354582866546 V85A-G108A 0.633335908057542 L87A-H111A 0.632937373302821 F106A-A130A 0.610974693990244 L77A-L101A 0.597212387882602 L98A-S121A 0.589132937704949 L109A-A132A 0.584162166657618 F82A-G108A 0.57940944722753 L91A-V114A 0.565650525302735 F82A-L109A 0.554683067313854 F106A-L133A 0.526931277933702 N100A-L123A 0.522356434220347 R113A-L133A 0.52132228837292 L101A-F129A 0.513881993492919 F106A-A132A 0.509219344683052 L88A-R113A 0.503177002707418 E104A-P110A 0.496910931961857 N92A-V114A 0.496792815901696 A105A-F129A 0.494381837316505 W76A-S99A 0.487386966000271 A102A-F129A 0.482835328557856 Q83A-Y107A 0.476594382988495 S99A-L123A 0.469633537502129 V85A-L109A 0.46827797917454 A103A-S128A 0.447329175028628 T90A-L112A 0.433510673803632 P110A-A132A 0.408159207749828 I74A-N96A 0.405579753610571 H75A-S94A 0.397394826486385 A103A-A132A 0.378920732382076 A81A-A105A 0.378745402389766 P78A-A102A 0.374950524334739 S84A-G108A 0.364791994951915 S89A-L109A 0.355454108156153 N100A-I125A 0.350987469871892 Q83A-A105A 0.344851158831981 L87A-L109A 0.343123542521237 L93A-T118A 0.335599301346233 H111A-H131A 0.326877970669363 L91A-R113A 0.32506570842705 S84A-H111A 0.319942545131954 S127A-A132A 0.317049518297132 L91A-L112A 0.305183390555519 Q83A-P110A 0.301347014443845 L77A-A105A 0.300218097624358 S86A-G108A 0.298117900566299 L87A-L112A 0.294349192769162 W76A-N100A 0.294241271948173 W76A-L101A 0.293196752314159 E104A-F129A 0.288413217461184 P78A-Y107A 0.284458560437719 A103A-S124A 0.266235637183586 N96A-Q119A 0.247512267295687 L87A-P110A 0.245037828848718 A103A-G108A 0.241295977600181 L93A-L115A 0.239898582693862 A103A-F129A 0.236929896717607 S86A-A132A 0.23274552100041 W76A-A102A 0.2321614930708 A102A-A130A 0.231584322398259 L80A-A105A 0.228113508024793 R113A-A130A 0.216002905117122 T90A-T118A 0.214007848903655 A105A-H131A 0.209414324104972 P78A-E104A 0.208012801518255 L88A-V114A 0.206251277475879 S89A-G108A 0.19667302113251 L77A-N120A 0.195210143702152 T118A-I125A 0.194886428220851 N95A-L115A 0.194116323415609 S97A-S124A 0.187305535467361 P78A-L98A 0.183451243097027 N92A-S121A 0.182112599016325 A79A-S84A 0.177155498516356 L91A-G108A 0.175537256352113 S94A-L101A 0.175074836892779 P78A-S97A 0.174396596268738 R113A-A132A 0.172450621330762 E104A-A130A 0.167063500746487 S86A-R113A 0.158367483692146 E104A-A132A 0.156537750568021 A105A-V117A 0.155822293346661 I74A-V117A 0.154204975848353 V85A-L112A 0.153198103214461 S89A-V114A 0.152432643738254 G108A-A132A 0.15110347077036 S86A-P110A 0.149842831340011 N95A-N100A 0.148527793880405 S99A-N116A 0.146419377792435 N100A-F106A 0.14548234804292 Y107A-L115A 0.14298441360863 S86A-L112A 0.142943852113198 W76A-L123A 0.141017163760794 H75A-V117A 0.14099389048084 L77A-N100A 0.138152754069642 E126A-A132A 0.137048487347207 S94A-V114A 0.134974931098379 P110A-L115A 0.134418724671745 I74A-N120A 0.133502770475613 G108A-R113A 0.132715802360869 L87A-L115A 0.131845984865701 L91A-Y107A 0.128470619914419 I74A-T118A 0.126602437091941 L91A-T118A 0.122854997362552 A79A-A103A 0.120405774833241 L101A-N116A 0.117825630690958 S86A-E104A 0.11643660240798 L88A-N116A 0.115828657791491 L98A-S124A 0.115192498041252 L93A-L122A 0.115163890430146 S89A-A105A 0.114433601493324 E104A-S128A 0.114180335962282 N100A-N116A 0.11373050536944 A105A-S124A 0.113571663457465 L101A-L115A 0.112756160845034 A79A-S128A 0.111839576675497 L101A-L122A 0.110581391982083 A81A-L109A 0.109607943325737 A102A-G108A 0.108545656223298 S97A-L123A 0.10547074042418 N116A-A130A 0.105247499328436 L93A-S121A 0.105171301131975 N100A-S121A 0.104697497919752 W76A-S97A 0.103538842109561 L88A-L93A 0.103509740060785 Q83A-L112A 0.102868020212478 L93A-N120A 0.102329616630466 L93A-L112A 0.102093434735319 L101A-L133A 0.101777609677507 L115A-N120A 0.101581853836889 S84A-L112A 0.100962483787673 I74A-S99A 0.10076672507136 S86A-L91A 0.100338441224789 L77A-I125A 0.0994791303585032 P78A-S99A 0.0994623476005012 N92A-L109A 0.0993579364604653 G108A-L133A 0.0982160988923773 L93A-Q119A 0.0976539243429788 L115A-A132A 0.0972012180429076 S97A-Q119A 0.0968174544080638 Y107A-E126A 0.0959407144868711 A79A-N100A 0.0951580705693638 L98A-A105A 0.0951325150077459 L91A-A130A 0.0944431090625655 L93A-I125A 0.0938017842234385 S127A-L133A 0.0933044121413271 Y107A-S127A 0.0930956030722907 N116A-L133A 0.09292847149643 I125A-L133A 0.092523193163367 A102A-L123A 0.0923507696082833 W76A-L93A 0.0921351207222978 L112A-V117A 0.0919771474369784 L91A-N96A 0.0913594562816382 L77A-L91A 0.0913315998141409 L77A-F82A 0.0897319073253815 A79A-G108A 0.0880889780817018 Q83A-A132A 0.0878765294567021 V85A-L115A 0.0867722925953789 L101A-Q119A 0.0861069699020085 L91A-L133A 0.0860093355422566 H75A-N120A 0.0859388689381699 V85A-H111A 0.0852656945773078 L80A-L91A 0.0839423898212868 I125A-H131A 0.0836778407305396 N100A-S127A 0.08307974494807 A81A-A103A 0.0824614991770218 S124A-A130A 0.082063030818472 N120A-I125A 0.0790628656725167 N116A-L122A 0.0788330631089309 L93A-F129A 0.0787796281221151 A102A-L122A 0.0776665266285668 L98A-Q119A 0.0760316843149704 L77A-F129A 0.0749551061000835 N96A-V117A 0.0743869965973847 E104A-L109A 0.0727829700284244 Q83A-H111A 0.0720456259504427 L87A-Y107A 0.0704615209450878 L77A-L98A 0.0704146852863756 L91A-A132A 0.070146169054075 T90A-R113A 0.0700769947603099 N96A-L101A 0.0687804394822908 A81A-L112A 0.0685306736290823 A81A-S86A 0.0679730618062466 N92A-V117A 0.067945788999402 T90A-V117A 0.0673885888631656 V85A-P110A 0.0669196449195368 A79A-L98A 0.0660078825925207 A105A-I125A 0.0657637516782934 L91A-N116A 0.0653927624928086 H75A-I125A 0.0633682901820993 L91A-L101A 0.0630066057070806 L77A-N92A 0.0598368699760945 A81A-L88A 0.0587911092086921 N100A-V117A 0.0587891006719299 S97A-A102A 0.058327242349546 A81A-L101A 0.0583133488837939 N92A-S97A 0.0577514289412586 W76A-A103A 0.0575511136857623 L88A-A105A 0.0574613214445545 L112A-H131A 0.0568224834379181 A103A-L122A 0.0564741661529657 W76A-S94A 0.0549980977307387 N100A-F129A 0.0549382496842683 N116A-S121A 0.0536563004173978 A79A-L109A 0.053510309676537 N100A-A130A 0.0519518914099146 I74A-N92A 0.0499277470258563 Y107A-H131A 0.0498961666546687 T90A-Y107A 0.0496199916055837 L87A-A105A 0.0486529067312578 I74A-N95A 0.0485311626275902 V85A-L133A 0.0484169666555587 A79A-A102A 0.0483375561187414 L112A-F129A 0.047242493695494 G108A-S128A 0.0462908503719655 L91A-Q119A 0.0457953141190686 F106A-E126A 0.0453477390372981 W76A-E104A 0.0440954702446653 Q83A-S89A 0.0438522332087574 Q83A-A103A 0.0432895795393704 S94A-N100A 0.042585196440927 A105A-L112A 0.0423843616242072 T118A-S124A 0.042162438533758 L98A-F106A 0.0420189935110784 Q83A-A102A 0.0419983427788315 Y107A-I125A 0.0419330360543002 L101A-F106A 0.0418731462333062 H111A-A130A 0.0417343306821298 N100A-L122A 0.0409960917754617 F82A-A132A 0.0407141635571611 W76A-N96A 0.0399314673892746 A81A-L93A 0.0390407435037217 A79A-V85A 0.0385430285441073 P78A-F106A 0.0381029284716382 A103A-L109A 0.0374631444453095 L88A-A132A 0.037005801190384 L93A-S99A 0.0369844921842375 L80A-P110A 0.0364542380351534 N92A-L98A 0.0362319600571581 L77A-S121A 0.0354493653082315 N92A-Q119A 0.0347515517189163 S97A-N116A 0.0336725930183972 Q119A-S124A 0.0334914863651856 A103A-L133A 0.0334129234521725 V85A-R113A 0.0331665840523221 Q83A-T90A 0.0323776567359253 L115A-I125A 0.0322291204754963 F82A-P110A 0.0315019599027451 A79A-I125A 0.0307365951352274 P110A-H131A 0.0301688029579661 L80A-S86A 0.0300699233882162 S89A-A132A 0.0292549946864975 L123A-F129A 0.0291925238302388 S84A-T90A 0.0279682778059591 L80A-A132A 0.0277191349042525 A81A-Y107A 0.0255902464564901 P78A-S84A 0.0251106086890482 L77A-V117A 0.0234847565414009 A81A-T90A 0.023407825737372 A105A-S127A 0.0222451335620151 Q83A-F129A 0.0219698466210181 L77A-F106A 0.0205830104869726 L115A-H131A 0.0201988899419013 N96A-N116A 0.0199620569370839 I74A-A102A 0.0191156837616768 S94A-N120A 0.0181028048500007 F82A-A102A 0.0180680281944596 L77A-Y107A 0.0180307657111989 H75A-N95A 0.0178162215604551 L80A-L109A 0.0173702372078317 S89A-N116A 0.0173036982522274 V85A-N92A 0.0172249822484984 Q83A-L91A 0.0171249841659868 V85A-E104A 0.0167430033232827 H75A-Q119A 0.0165529393042055 V85A-F106A 0.0158453730347086 H75A-L123A 0.015764738680568 F106A-S127A 0.0142282705767871 H75A-S124A 0.0135319720871423 N92A-N120A 0.0127195790504391 L109A-V117A 0.0120840846068533 F82A-A103A 0.011925495800718 A105A-H111A 0.011062724298835 S86A-A105A 0.0108675198425647 S84A-S89A 0.0107892565221114 V117A-S124A 0.0107547000362387 L80A-L101A 0.00951740456473615 N92A-L115A 0.00837211978467423 V114A-A130A 0.00792974928236523 N92A-A105A 0.00564942724294815 S99A-T118A 0.00356503157056842 W76A-F82A 0.0032122388316842 L101A-L109A 0.00318543119342252 N92A-R113A 0.00268004925289622 L77A-E104A 0.00212019562412991 I74A-Q119A 0.00192480539301876 L101A-Y107A 0.00182301143235319 H75A-A102A 0.00095047391175096 A103A-H131A 0.000619121954407831 I74A-A81A 0.000528207368908795 L98A-A103A -1.96366703164585e-05 V85A-L93A -0.000161003475509069 L123A-S128A -0.000806715402513081 T90A-A105A -0.00130726152474736 F82A-H111A -0.00313939224547655 N100A-S124A -0.00322312207455866 Q83A-L133A -0.00379238874290255 P78A-F129A -0.00450487840682184 A81A-N92A -0.00461731636389023 L88A-P110A -0.0046715274952529 L93A-A102A -0.00505741490083089 S94A-S121A -0.00536100268382 L109A-F129A -0.0058396729350374 S84A-A132A -0.00590116665301288 A81A-N100A -0.00620136868178656 N100A-Q119A -0.00643795027309491 A79A-F129A -0.00718140134164669 N100A-S128A -0.00748666510389118 H111A-A132A -0.0081976837738913 E104A-S124A -0.00821250601713044 V85A-A105A -0.00839710770551072 F106A-R113A -0.00841270384178788 W76A-F129A -0.00930803324292917 S121A-E126A -0.00934155086973518 A105A-N116A -0.00938173005709442 Q119A-I125A -0.00942760660854081 L98A-F129A 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-0.0380835169459752 L109A-A130A -0.0385135071823068 P78A-G108A -0.0387079980465761 A102A-A132A -0.0390488869749861 A81A-G108A -0.0392593741302019 L91A-A105A -0.0407885621273429 T90A-L133A -0.0426605275714493 A102A-S127A -0.0443347985188005 W76A-N120A -0.045580169054242 F82A-S89A -0.0459113647144256 I74A-A105A -0.0459710038499122 A105A-P110A -0.0465860654934897 Q83A-G108A -0.0471483648803297 S84A-E104A -0.0476514816384779 S94A-L115A -0.0480892133810169 L98A-N116A -0.0487387595586557 S86A-Y107A -0.0505475324341117 I74A-S97A -0.0507754265005551 T90A-H111A -0.0516743252600498 F106A-V117A -0.0526210869707184 A105A-V114A -0.0526831051892822 F106A-S128A -0.0533968386628487 W76A-F106A -0.0543844429831695 S89A-Y107A -0.0550758942597493 S99A-E126A -0.055336667015764 S86A-H111A -0.055600090552073 E104A-L133A -0.0559415924927231 S99A-A105A -0.0566924600501277 S89A-V117A -0.0579785067077263 Y107A-R113A -0.0584136255008043 A79A-A130A -0.0590043805526972 V117A-I125A -0.0591028752543625 S89A-P110A 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