[Mon Aug 29 17:59:29 2016] >Input file: TMJ3KQC6S3G.pdb >TM segments: A359-367_A412-422_A445-456_A509-517_A525-530_A541-558 MAIDEN score = 22.3171 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 ----------- ---------------- W360A-R419A 10 C448A-C517A 10 W449A-C517A 2.17872957918262 A365A-I415A 1.97842596433532 C448A-V516A 1.42652035176951 A364A-I415A 1.28617122963967 I450A-L515A 1.28011355663869 V361A-M418A 1.18945891300231 Y413A-T545A 1.12576534753717 W360A-M418A 1.10965121372035 E446A-C517A 1.07983241405661 I450A-V516A 1.01187949353525 V528A-T545A 0.952067935921928 L515A-L525A 0.902127672050659 W449A-L515A 0.865857001446104 W360A-L420A 0.829855291211859 C367A-G512A 0.816685806608422 Q359A-L420A 0.769064664129234 T529A-Y544A 0.760209495454784 W449A-V516A 0.747833592393312 S511A-T529A 0.736713638316679 L525A-V547A 0.730789830634553 I415A-T545A 0.727648906616342 P514A-V528A 0.727023674492738 P514A-L525A 0.718493064221971 L515A-V528A 0.711396489919477 V361A-L417A 0.699073578202374 T529A-V543A 0.692676561779373 T363A-L417A 0.681625084363136 G512A-S530A 0.648425083506055 V516A-L525A 0.645069830940515 T447A-C517A 0.623524039469745 L515A-Y544A 0.602063884977139 C367A-D414A 0.585353641976121 T363A-V528A 0.577764970926856 L362A-L417A 0.546337722863466 L417A-K557A 0.537374083634161 V528A-K546A 0.523158695489085 A365A-Y413A 0.516824187059065 L362A-M418A 0.474149114950587 L362A-I415A 0.45523907672334 P514A-K546A 0.43841519752195 I450A-P514A 0.433810746557053 I450A-G513A 0.43057027028317 L362A-R419A 0.424153928809295 C448A-L515A 0.418780678841826 T363A-M418A 0.396978820550533 W360A-L417A 0.393732815578356 P514A-A526A 0.390372231216852 A364A-T529A 0.380929237376636 V361A-L420A 0.3740239901506 V528A-Y544A 0.369131063572374 K455A-G509A 0.367247581123406 D510A-T529A 0.362061127132435 S511A-V528A 0.359301056790003 D414A-T545A 0.357610120916261 C517A-L525A 0.357435197907148 T451A-D510A 0.356699345542194 C448A-T529A 0.355875304183771 V528A-V547A 0.34970640243105 I415A-G512A 0.34429032015205 Q359A-K557A 0.342158258774497 C517A-T548A 0.330138777022474 R419A-K557A 0.327912809680373 Q359A-S421A 0.321523578705105 A365A-G513A 0.320544544969762 C367A-S511A 0.314122321112428 A416A-S530A 0.313667918777377 A416A-G513A 0.312436597457935 T451A-L515A 0.309098024488932 T363A-S511A 0.307213254633269 G513A-G542A 0.306621896263712 C448A-V543A 0.302962274415475 L515A-T529A 0.300457114081651 I415A-V528A 0.299536359293539 D414A-V528A 0.296241252041224 T447A-P541A 0.290546690628933 Q359A-Y555A 0.282124513466568 A365A-D414A 0.281540627430081 L362A-G512A 0.277593281813778 P514A-T548A 0.272316889937651 A364A-G509A 0.270615890659544 A416A-K546A 0.270373489195104 Y413A-P552A 0.265905827991786 T451A-C517A 0.254403761716562 A364A-V528A 0.247309203687097 T363A-T451A 0.241931411661492 A416A-S511A 0.2415954044071 A526A-T548A 0.241504817436269 T363A-L515A 0.236225393396771 A365A-A416A 0.23110782865606 D412A-V547A 0.228997024120267 C367A-F453A 0.227349085903777 D414A-Y544A 0.227056173056221 N445A-G527A 0.226727519007841 L515A-P541A 0.226212695628602 F453A-G512A 0.224516171782191 T363A-L525A 0.222331768169808 L362A-T545A 0.21679704869101 T451A-T529A 0.215971869936165 W449A-T529A 0.211731622541316 T447A-G527A 0.211666185696218 V516A-G527A 0.208669428973711 G452A-V528A 0.208174598035755 S511A-P541A 0.19830548948923 C367A-Y544A 0.19633061242794 L417A-I554A 0.194036404611975 H366A-D412A 0.192085564133601 L362A-C367A 0.191975322207382 C367A-L417A 0.190835882312101 E446A-A526A 0.190750057491731 I450A-T529A 0.187687523240889 T451A-A526A 0.186933482297189 H366A-Y544A 0.183749011592035 A365A-L417A 0.179919060187249 G452A-D510A 0.178672553513476 L417A-P552A 0.17549765860384 V361A-Y555A 0.173389961198273 V361A-S421A 0.172717494888847 L362A-V528A 0.171453777881979 M418A-G513A 0.167776129871359 E446A-V516A 0.167725402456977 T363A-I450A 0.166128470273362 S511A-K546A 0.165977655654642 T456A-T529A 0.165279298125593 T363A-I415A 0.164497750000141 C448A-G513A 0.16238972839243 T529A-T548A 0.162067223594974 K455A-T529A 0.161702269573921 M418A-Y555A 0.161220661883298 G512A-G542A 0.160707777368091 W360A-W553A 0.158307780442395 D414A-G527A 0.157045968644712 L362A-K546A 0.156048185993675 D510A-V516A 0.153072469903389 D414A-D510A 0.152447777759357 I415A-M558A 0.152436052293945 H366A-T545A 0.150421065005887 G513A-A526A 0.149952284663122 A364A-L417A 0.149340103268459 D510A-Y544A 0.147434284223863 A365A-G512A 0.147103653933881 M418A-S511A 0.143501114971804 I415A-Y555A 0.143370945458411 A416A-M558A 0.140879282611283 M418A-G512A 0.140255554000828 T451A-G542A 0.139633269376464 S530A-V547A 0.138758896533231 T363A-T548A 0.137439295699627 D412A-T529A 0.137289884911548 T529A-G542A 0.137198504824816 Y413A-W553A 0.135136957901875 T363A-G452A 0.132699388249563 I415A-K546A 0.132583718510643 I415A-K557A 0.132329199082572 A364A-A526A 0.132245764813077 T363A-P514A 0.131150940665816 V361A-V547A 0.13063730038295 L362A-Y544A 0.130162980768943 T363A-A416A 0.127528711269905 I450A-T545A 0.125550328459131 K546A-I554A 0.125543306164901 G454A-Y544A 0.125009158969402 L525A-K546A 0.121601989208962 M418A-W553A 0.11950340545863 Y413A-Y544A 0.118534443407785 W449A-D510A 0.118073738713421 T451A-S530A 0.117932377790493 S421A-M558A 0.116422733900216 L417A-S556A 0.115551839258141 L362A-V550A 0.114908957905075 W449A-G513A 0.114454591322653 T363A-K557A 0.114118631711827 T545A-L551A 0.114024510644599 A364A-G513A 0.113498065580789 L362A-L551A 0.112835105371933 T447A-V543A 0.11252281584477 A364A-L551A 0.112359437572572 H366A-I415A 0.111510052701129 T363A-G509A 0.111269016018856 I450A-G527A 0.110563335851626 T451A-G513A 0.109411587114904 A364A-D412A 0.10886185307767 A416A-G527A 0.106278706527261 A364A-I554A 0.105328882795778 L417A-V550A 0.10465970453969 V361A-T545A 0.104493641370125 Q359A-I554A 0.10267072089424 F453A-G509A 0.102473407483409 L362A-Y413A 0.102386414668495 T363A-R419A 0.101987900489871 A416A-Y555A 0.101589324244518 C367A-G513A 0.0998877189754319 E549A-Y555A 0.0992563052435556 L525A-Y544A 0.0987006076388639 V528A-L551A 0.0985648851035732 T451A-G527A 0.0979571987370746 G512A-K546A 0.0977983310227464 F453A-G513A 0.0962970070563607 L362A-S511A 0.0949664911938304 G513A-K546A 0.0945876260513942 A365A-V550A 0.0936963870115877 G452A-G527A 0.0922301774633221 P514A-T545A 0.0919496098149928 V528A-E549A 0.0918637702644753 D414A-W553A 0.0902125259475508 D412A-E549A 0.0897119985609804 L362A-I450A 0.0878734704588415 S530A-Y544A 0.0876120913924923 K455A-D510A 0.0871355913185615 I415A-V543A 0.0868944797134352 T545A-I554A 0.0861091519502457 L362A-L515A 0.0852885014328439 A416A-Y544A 0.0846701010658388 R419A-Y555A 0.0846643113214967 T363A-Y555A 0.0844914123133034 D412A-V543A 0.0839919580689035 M418A-S556A 0.0836086159926399 T456A-S511A 0.0819245931739549 N445A-T548A 0.081029082923616 T545A-W553A 0.0809753316961421 T548A-S556A 0.0804004494258656 L362A-V516A 0.0791442744456148 K546A-W553A 0.07837269398753 A416A-S556A 0.0774881506748599 I450A-V543A 0.0771307912216361 W360A-M558A 0.0757258285639804 E549A-S556A 0.0746936289410014 W449A-V543A 0.0744937769727727 G454A-V528A 0.0737612303470396 V516A-Y544A 0.0727894811802079 T456A-G513A 0.07267857136506 V361A-G527A 0.0705275790228472 Y544A-E549A 0.0703128809434532 D414A-P514A 0.0663742653457207 H366A-G513A 0.0660068922033403 K546A-Y555A 0.0648379558081018 A365A-K546A 0.0632226778661842 H366A-G527A 0.0616199732358069 H366A-L417A 0.0609026384463793 A365A-I554A 0.060061891750216 A364A-L525A 0.0598063806749394 G512A-L525A 0.0588760393795916 A364A-G452A 0.0584152810947325 I415A-L525A 0.0578460711772455 G527A-L551A 0.0573974709014728 G512A-A526A 0.0572664994682679 S511A-G542A 0.0566712040186008 I415A-A526A 0.0561438706280555 A364A-V550A 0.0556415971074289 G512A-V543A 0.0551984112621646 V361A-V516A 0.0543090839235933 C367A-G454A 0.0536367251102048 C367A-V528A 0.0531483073028416 A526A-P552A 0.0525495269287894 V361A-C367A 0.0519976495302643 C448A-K546A 0.051534241368195 V361A-G452A 0.0514727704884723 A416A-V547A 0.0508499260720421 G527A-I554A 0.050523440426824 I415A-L515A 0.0504988834018076 A526A-G542A 0.0498545009290225 I450A-V528A 0.0496287012290839 Q359A-S556A 0.0487021720219341 D414A-E549A 0.0475429999541577 G454A-L515A 0.0469159188210591 T363A-M558A 0.0454732587673081 L362A-A416A 0.045171689434981 V543A-T548A 0.0439740651569274 D510A-G542A 0.0433467234877374 V547A-Y555A 0.0429317200984708 I415A-P552A 0.0425070581529084 G454A-S530A 0.040638922315746 G509A-G542A 0.0404968276816278 D412A-T545A 0.0396250688655782 Y413A-G512A 0.0393821612591854 A365A-V547A 0.0393510474836134 T447A-A526A 0.0392258099717093 I415A-P514A 0.0391369797210255 G454A-D510A 0.0391173654626611 V361A-V550A 0.0388058161508038 I415A-T548A 0.0386106992480837 G454A-G542A 0.0383041577469041 Q359A-M418A 0.0376957335376495 L362A-T529A 0.0376536669836405 V516A-V528A 0.0376019217427661 K455A-S530A 0.0371208980830535 G452A-S530A 0.0365674879259212 F453A-P514A 0.0359955563977036 L515A-V547A 0.0332501458988013 L362A-S530A 0.0326781714286313 G454A-T529A 0.0318232353898744 Y413A-K557A 0.0318039820235283 V361A-K422A 0.0317758347566191 Q359A-K422A 0.0313781199768233 Y413A-L551A 0.031035207104094 A364A-T548A 0.0303304869117911 F453A-L515A 0.0300335040620983 V361A-A526A 0.0295891416451104 I450A-S530A 0.0286892596011716 G512A-V547A 0.0286309780390841 V516A-G542A 0.0284334594842788 H366A-G509A 0.0276703462886045 V361A-K557A 0.0275057160085082 G452A-G542A 0.0271217474505274 T447A-Y544A 0.0264050779665674 H366A-V528A 0.0263904764999161 I450A-D510A 0.0254688155186922 V547A-M558A 0.0245650468521319 L515A-V550A 0.0237965834158347 E446A-L515A 0.0221641503456751 G513A-T545A 0.0215933420669934 A364A-G542A 0.0215576974553708 W449A-V528A 0.0209805704820361 Y413A-G527A 0.0194644920261027 Y413A-S511A 0.019406987685235 A365A-Y544A 0.0192450806097484 A364A-V547A 0.0177294322937094 T363A-F453A 0.0168100963352984 A365A-G527A 0.0165557423081815 W360A-S556A 0.0143234827116636 T529A-E549A 0.0142551859874667 A416A-P514A 0.0138540301725056 A365A-V543A 0.0136345435015102 D412A-S511A 0.0133177235001922 V528A-I554A 0.0128380789051574 V361A-R419A 0.0114820628216243 I450A-P541A 0.00930560448244866 T548A-K557A 0.00894528221661739 I450A-T456A 0.00844131379859014 A365A-G509A 0.00830058443250126 V361A-S511A 0.00691355314791631 A526A-V543A 0.00691040977820356 A416A-P552A 0.00558937731760867 R419A-I554A 0.00523253258112222 T363A-E549A 0.00402270157774876 V516A-V543A 0.00389022553216778 L417A-T545A 0.00339747468682816 D414A-G513A 0.00330873720761227 D414A-G509A 0.00319777004438962 K455A-G513A 0.00248215410961272 W360A-Y555A 0.00137327305260904 T363A-V516A 0.00124667773192932 K455A-S511A 0.000787418628083625 W449A-S530A 0.000652161058165568 H366A-T529A 0.000636291810478529 L515A-A526A 6.12911163675456e-05 A526A-I554A -0.00107712974484819 G452A-G512A -0.00141539856679246 L417A-G513A -0.00221276749552946 L362A-S421A -0.00290488149367052 I450A-G509A -0.00359612352842964 L417A-T548A -0.0052332246155733 T447A-V516A -0.00647631441238694 T363A-G454A -0.00758703983260789 T363A-A526A 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-0.0281699523751666 E446A-G527A -0.028436445556387 G527A-P541A -0.0290665299623503 C367A-M418A -0.0302917301403185 C517A-A526A -0.0306056327471307 I450A-K455A -0.0311084406665048 A364A-S530A -0.0315173191545832 R419A-G512A -0.0323644914457324 G509A-V528A -0.0324011597599441 G454A-P514A -0.0328624726922553 A365A-D510A -0.0346324787472398 L417A-P514A -0.035376600207651 D510A-P541A -0.0354360700959842 W449A-G454A -0.0355517354651251 D414A-V543A -0.0357538711655874 T451A-G512A -0.0359252476287004 D510A-V543A -0.0368180465529599 S511A-G527A -0.0368509945137596 G454A-G512A -0.0378122036096524 V361A-V528A -0.0378696472457776 Y544A-V550A -0.0392537949863758 K546A-L551A -0.0393243411104107 V516A-K546A -0.0395794998309063 T363A-Y413A -0.0398681427427477 G509A-Y544A -0.0405772398669599 T548A-Y555A -0.041186134718488 A364A-T451A -0.0412217602281894 G512A-G527A -0.0415692077873775 L515A-G527A -0.0418127256658291 L420A-M558A -0.0424115808750551 A364A-E549A -0.0424154525668121 A416A-T548A 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