[Wed Aug 24 17:24:20 2016] >Input file: TM1MHSATD.pdb >TM segments: A112-135_A142-163_A290-312_A319-341_A689-713_A716-737_A757-783_A793-813_A818-846_A852-876_B113-136_B142-164_B291-313_B318-341_B687-712_B716-738_B757-781_B794-815_B817-843_B855-878 MAIDEN score = -165.1678 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 ----------- ---------------- L305A-T326A 10 E129A-C148A 10 L305B-T326B 10 W309A-I322A 10 E129B-C148B 10 A690A-T812A 10 W309B-I322B 10 A690B-T812B 10 W819A-C869A 2.32553647564672 W819B-C869B 2.32552698768207 I811B-M871B 1.34405596467513 I811A-M871A 1.34347680228827 S312A-I710A 1.32314324253071 S312B-I710B 1.32256441892442 L306B-T326B 1.2701297348502 L306A-T326A 1.26978285961828 I811A-F868A 1.16305297245549 I811B-F868B 1.1629990636827 Y694B-I809B 1.12449465165736 Y694A-I809A 1.12413351151697 L305A-I329A 1.11345070683103 L305B-I329B 1.11338436805431 V693B-V765B 1.1116316168168 V693A-V765A 1.11091127169189 W807A-F868A 1.10535684991875 W807B-F868B 1.10530496061179 I332B-E703B 1.10095536605435 I332A-E703A 1.1009472829091 I147B-I719B 1.07622399398978 I147A-I719A 1.07585756373402 W309A-F325A 1.07065738701995 W309B-F325B 1.0706563966234 W309A-L323A 1.03254319038815 W309B-L323B 1.03251309195281 H701A-I772A 1.02678989102881 H701B-I772B 1.02673530880019 V308B-I322B 1.00284797249274 V308A-I322A 1.00267171329058 I696B-V765B 0.989464473999059 I696A-V765A 0.98945783636623 F818B-V874B 0.961830022001452 F818A-V874A 0.961731842074818 Q780A-L797A 0.961374291477636 Q780B-L797B 0.96053271570208 I322A-I710A 0.955754759279388 I322B-I710B 0.954986626628239 V310A-I319A 0.946978512954471 V310B-I319B 0.946917680559647 Y689B-T812B 0.936204886934869 Y689A-T812A 0.936060521272246 W819A-F868A 0.935315365082363 W819B-F868B 0.935235178463303 V310A-I322A 0.929291712303622 V310B-I322B 0.928878574275062 F841A-W846A 0.905872447061004 V336B-D730B 0.903908311027549 V336A-D730A 0.903770740887201 V310B-R859A 0.89494152675647 R813B-P823B 0.888896317525058 R813A-P823A 0.888550458799536 Y691B-I736B 0.882408182130986 Y691A-I736A 0.882241009960806 W807A-F865A 0.876484307061544 W807B-F865B 0.876064215350217 I811A-I867A 0.874282824221083 I811B-I867B 0.874066030747215 E129A-I147A 0.845128931040692 E129B-I147B 0.844738973882174 L808B-I867B 0.827555415073599 D794B-L799B 0.827469796792399 L808A-I867A 0.827455034659937 D794A-L799A 0.827153367142169 W819A-M871A 0.821016761891201 H112A-L117A 0.820976145823917 W819B-M871B 0.820926567254927 Q125A-I147A 0.817969146461024 Q125B-I147B 0.817727842003615 W309A-Q321A 0.817340955719944 W309B-Q321B 0.816971597613352 L306B-I862A 0.816260636615713 V308A-I710A 0.804444997367637 V308B-I710B 0.804333059412535 I725B-D730B 0.803479895112697 I725A-D730A 0.803476414493522 V768A-I867A 0.802806392898713 V768B-I867B 0.802402322969317 L153A-I727A 0.802225019603371 L153B-I727B 0.802141140944161 F728B-T733B 0.800026548690972 F728A-T733A 0.800024145994064 Y694A-I811A 0.797834272576226 Y694B-I811B 0.79724714091734 V308A-F325A 0.787226288977396 V308B-F325B 0.787175686447799 I319B-V855A 0.763625882911317 W309A-I710A 0.76173404192004 W309B-I710B 0.761672657315671 L698A-L808A 0.752729941079625 L698B-L808B 0.752640625252827 Q161A-V341A 0.745088492081969 Q161B-V341B 0.745064207305031 I302B-T326B 0.744653990581953 I302A-T326A 0.744599956430364 N154B-I727B 0.743468275728274 N154A-I727A 0.743292527823607 I736A-L827A 0.742163191653786 I736B-L827B 0.742090814604494 V692B-L734B 0.739441585219588 V692A-L734A 0.739289827336764 V693B-L761B 0.734827834999938 V693A-L761A 0.734800256156684 L298A-V334A 0.734452830968484 L298B-V334B 0.733827548840766 V308A-L706A 0.727381729955459 V308B-L706B 0.727246758509906 V133B-F144B 0.725255930422659 V133A-F144A 0.725170585597679 S311B-I710B 0.724844300489442 S311A-I710A 0.724752744673949 Y694B-F810B 0.721160186038128 Y694A-F810A 0.720591085041136 Y694A-V765A 0.719687113791887 Y694B-V765B 0.719011924433993 F728B-V834B 0.715449607822858 F728A-V834A 0.715185306296836 G333A-I700A 0.673416559022771 G333B-I700B 0.67328481055783 I307B-T326B 0.669004400215978 I307A-T326A 0.668974692847246 V796A-T852A 0.666568756963519 Y689A-L761A 0.664919338868602 Y689B-L761B 0.66475006380648 K115B-F120B 0.662587341173957 K115A-F120A 0.662284163735839 F126A-C148A 0.650959327613326 F126B-C148B 0.65071516986942 T304B-T326B 0.646334461032515 A729B-N806B 0.6462084756194 A729A-N806A 0.646208375552048 T304A-T326A 0.646019052714635 Y738B-A814B 0.636624127286019 Y694A-L734A 0.635846283874496 Y694B-L734B 0.635559015807776 L305B-L327B 0.634936478382346 L305A-L327A 0.634728958207278 Y691B-A735B 0.627968084306206 Y691A-A735A 0.627693059075661 V692B-A697B 0.624253525133235 V692A-A697A 0.624233380637629 Y691B-I809B 0.614057620607558 F303B-G866A 0.613917653638644 V722B-F798B 0.613774091978662 Y691A-I809A 0.613674819420631 V722A-F798A 0.612932811465713 R695B-L808B 0.608977588692871 R695A-L808A 0.60880618191623 V301B-E703B 0.601325689720149 V301A-E703A 0.600952082554239 F818A-Y876A 0.600821618702 F818B-Y876B 0.600687100887489 F313B-P318B 0.592684431945153 A697A-V764A 0.591166148169077 A697B-V764B 0.591058898072712 F113A-P339A 0.586476857548885 F313B-A711B 0.58637689244903 F113B-P339B 0.586374323951424 F818A-M871A 0.579235923100891 F818B-M871B 0.579185118668777 I329A-L706A 0.577283532878601 I329B-L706B 0.577119052134 M688B-A737B 0.576385887464555 L150A-V723A 0.57621496721271 L150B-V723B 0.576024918394084 E795A-W846A 0.572150764340678 V301B-I329B 0.570596369041818 V301A-I329A 0.570562408389077 L297A-P335A 0.563550879713001 L297B-P335B 0.563358209809092 R813A-I822A 0.56096109664422 R813B-I822B 0.560900730662285 V768B-I870B 0.559703752029633 V768A-I870A 0.559700173620602 D835A-C840A 0.559490202486925 D835B-C840B 0.559385842516814 Y778A-N783A 0.557961094254763 A690B-I811B 0.557327863330108 A690A-I811A 0.557239732289544 A131B-F144B 0.556930657313107 A131A-F144A 0.556849721667247 V308A-I704A 0.55067856567584 V308B-I704B 0.550643590261715 L306B-F863A 0.541367061835782 Y691B-T733B 0.538212188949547 Y691A-T733A 0.537989977929261 Q800A-I860A 0.53457242713692 Q800B-I860B 0.533897635607289 I332B-R695B 0.533727331344465 I332A-R695A 0.533544030552743 F810B-F868B 0.531803511316074 F810A-F868A 0.531771581985623 P335B-D730B 0.528432854925927 P335A-D730A 0.528340783380722 R813B-S824B 0.525774839448976 R813A-S824A 0.525749644165149 T304B-I704B 0.525713635667968 L808B-F868B 0.525035572800564 T304A-I704A 0.524923822764192 L808A-F868A 0.524918310754903 N718B-V723B 0.522426004587657 N718A-V723A 0.522284794811309 L717A-V722A 0.521209334262843 L717B-V722B 0.521079031118217 R813A-S820A 0.508259239066506 R813B-S820B 0.5081990487575 F818A-G873A 0.504934216829053 F818B-G873B 0.504780708372798 I772A-T804A 0.504618967971851 I307B-S312B 0.502807605677951 I307A-S312A 0.502747486250414 I772B-T804B 0.502719826828722 V774B-A779B 0.49977515107412 L803B-S864B 0.499361968065484 L803A-S864A 0.499194443891319 V774A-A779A 0.499031678635864 W309A-E324A 0.498837918442047 W309B-E324B 0.498735284002064 I332A-A726A 0.497648447636232 W309B-G707B 0.497289792420764 W309A-G707A 0.497097630759977 I801B-N806B 0.496454569400317 I801A-N806A 0.496362132548528 P335B-E703B 0.496077778164589 P335A-E703A 0.496064063128094 I332B-A726B 0.495965307818041 I700A-G769A 0.49498442106291 I700B-G769B 0.494121233672402 R695B-I809B 0.494117653435783 R695A-I809A 0.493668999536899 V308B-A711B 0.486783061212682 V308A-A711A 0.486222569913586 F705A-T773A 0.484401169748132 F705B-T773B 0.484311633533533 N783A-A856A 0.483934734264457 S312B-I319B 0.476008060266006 S312A-I319A 0.475721595659605 I811B-S820B 0.471471135701014 I329A-L702A 0.471429350576893 I329B-L702B 0.47138561027104 I811A-S820A 0.471306560446508 E720A-C840A 0.470534852170987 E720B-C840B 0.47044086611673 L150B-I719B 0.467968473823141 L150A-I719A 0.467924727007794 M128B-I147B 0.46624491302612 M128A-I147A 0.465561433499134 L803A-D835A 0.46458183970836 L803B-D835B 0.464546612270449 L734B-I809B 0.462630576779367 L734A-I809A 0.462133540540702 P335B-I696B 0.461446447474858 P335A-I696A 0.461446337040572 S802A-A838A 0.454843350450327 S802B-A838B 0.454839639336884 Y738B-R813B 0.454236697010137 V796A-A856A 0.452097505940543 V796B-A856B 0.451560577267978 I307A-G707A 0.450117123893472 I307B-G707B 0.449826770122956 Y691B-R813B 0.447506996466958 Y691A-R813A 0.44723987569437 L708A-L713A 0.447032797380814 W819A-Y875A 0.444998670123161 W819B-Y875B 0.444937642684538 Y691B-A737B 0.443659403277457 Y691A-A737A 0.443543555906664 T776B-G781B 0.443449170670871 T776A-G781A 0.443447366695334 A155B-V160B 0.441936831733901 A155A-V160A 0.441621111547047 I293A-G757A 0.441295937145813 I293B-G757B 0.440883638661823 F810A-I822A 0.435140408437887 F810B-I822B 0.435130838613774 E703A-T770A 0.434271861255541 E703B-T770B 0.434121431458486 H701B-T770B 0.433099176672376 H701A-T770A 0.432915506996241 Q161B-P339B 0.43201329606866 Q161A-P339A 0.431852842684342 S311B-A711B 0.430828385481442 S311A-A711A 0.430635879793076 L305B-F325B 0.430469331036724 L305A-F325A 0.430439355637665 F325A-L706A 0.430387573534295 F325B-L706B 0.430271128551864 F313B-I322B 0.426228775076115 L306B-R859A 0.425210963800691 L721B-F798B 0.424037851228364 L721A-F798A 0.423982885734562 Q780B-V796B 0.422108525369058 Q780A-V796A 0.421900603151869 W309B-I319B 0.419547225154665 W309A-I319A 0.41937717100326 W709A-S716A 0.417366302289957 W709B-S716B 0.41736300447312 K115A-P123A 0.417328684427112 K115B-P123B 0.417306825801226 A132A-D143A 0.414569170748489 A132B-D143B 0.414139524828135 L117B-V336B 0.409684414038108 L117A-V336A 0.40964730750749 V693A-L698A 0.405961880998981 V693B-L698B 0.405955152282886 L698B-V768B 0.405345121461187 L698A-V768A 0.405344284265539 I302A-L327A 0.404650230563475 I302B-L327B 0.404605163827195 V310B-L323B 0.404000359761836 V310A-L323A 0.403994364203005 L114A-F119A 0.403301426159742 L114B-F119B 0.403298325715499 S821B-F868B 0.401764321196901 S821A-F868A 0.401589435328666 V308A-E703A 0.40051541596846 Y694A-S699A 0.400391521716216 Y694B-S699B 0.400375200599869 V308B-E703B 0.400194442304516 V146A-I719A 0.399562345258282 V146B-I719B 0.399536413330702 A729A-L734A 0.3992969101276 A729B-L734B 0.399284759835552 T776A-L797A 0.397854403524271 T776B-L797B 0.397826235904716 A729B-E805B 0.397648962442694 A729A-E805A 0.397301560181313 G333A-I696A 0.396312220456996 G333B-I696B 0.396207015522045 R687B-V692B 0.39576948453714 L323B-R859A 0.395004665629104 A726A-V731A 0.389200181767661 A726B-V731B 0.389190633892262 T776B-E805B 0.389146844417576 T776A-E805A 0.389088214824797 I725A-I801A 0.388973648105263 I725B-I801B 0.388955031075275 W819A-V874A 0.38794823423707 W819B-V874B 0.387728306220173 F325B-I710B 0.385810420330102 F325A-I710A 0.385668320429091 L297B-V334B 0.3841831515937 L297A-V334A 0.384127556048629 N815B-Y875B 0.378927596938953 I332B-L702B 0.377035625801359 I332A-L702A 0.376551523983926 L799B-T839B 0.372695093792496 L799A-T839A 0.372606844139996 V693A-T812A 0.372536640110341 V693B-T812B 0.371866507553605 T733A-L827A 0.367569507489846 T733B-L827B 0.367257909414027 A132B-F144B 0.363362445706651 A132A-F144A 0.362902289539775 L305B-I704B 0.361269189151727 L305A-I704A 0.361135866940559 A830B-D835B 0.360493170137055 A830A-D835A 0.360463589314556 T304A-T330A 0.358965074773377 T304B-T330B 0.358928634017535 A697B-V765B 0.356089354219456 T812B-C869B 0.35577531222867 T812A-C869A 0.35577000717465 A697A-V765A 0.355437742997488 I854A-R859A 0.353469518679072 A697A-L808A 0.351242723299679 A697B-L808B 0.351123075076653 C148B-E324B 0.349240398464318 S820B-F868B 0.349225690737696 C148A-E324A 0.349140246503027 S820A-F868A 0.349060059989289 V693B-V764B 0.349054265916291 V693A-V764A 0.349039024756652 V764A-M871A 0.348924869242348 V764B-M871B 0.348915782449328 Q161A-A340A 0.347102875279054 Q161B-A340B 0.346613398532403 F313B-I319B 0.344466063487256 G122A-E129A 0.343515382529581 G122B-E129B 0.34351536377656 V764B-V874B 0.342128366890211 V764A-V874A 0.34209358552564 W807A-S864A 0.340486900805328 W807B-S864B 0.340471430989528 L799B-T842B 0.34018127197496 L799A-T842A 0.340136023559781 I736A-S824A 0.338575226263576 I736B-S824B 0.338366406283081 V308A-L708A 0.338031707837553 V308B-L708B 0.337762779868426 D143B-C148B 0.337588476876495 D143A-C148A 0.33748156078851 Q125A-E324A 0.33743476420621 Q125B-E324B 0.337433316608923 T852A-V857A 0.33409450397805 V692A-G757A 0.333160257096168 V692B-G757B 0.333088846283761 R813B-C869B 0.3302813761479 R813A-C869A 0.330209851909007 F728A-D835A 0.328306532398795 F728B-D835B 0.328175382611967 W807B-I867B 0.327793153055393 W807A-I867A 0.327790786749445 S311B-I322B 0.327484748862959 S311A-I322A 0.326986890513281 V320B-V855A 0.326539995898095 F313B-I710B 0.326377947367977 A838A-G845A 0.325110200981817 I302B-I329B 0.323765524240661 I302A-I329A 0.323613833226401 L698B-V765B 0.321892486740516 L698A-V765A 0.321887422351982 A340A-A732A 0.321534855290036 A340B-A732B 0.321454280267395 A779B-Q800B 0.320913696326537 A779A-Q800A 0.320800782882874 V301B-V334B 0.320378202225908 V301A-V334A 0.32031983251723 W309A-T326A 0.32023428048443 W309B-T326B 0.320095238838214 T733B-T804B 0.319835123923555 T733A-T804A 0.319765248987804 A729A-S802A 0.318941906767892 A729B-S802B 0.318923386316824 V768A-L808A 0.31653316388639 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