[Wed Aug 24 17:24:38 2016] >Input file: TM3WAKATD.pdb >TM segments: A14-34_A104-132_A317-348_A374-400_A405-423_A426-447_A469-494 MAIDEN score = -77.4375 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 ----------- ---------------- F387A-Y438A 1.00739920557732 V378A-F385A 0.914719620433003 F387A-S439A 0.905895129983725 R28A-V118A 0.803598617719429 P32A-S494A 0.73437009855833 F418A-F431A 0.725857173954177 G388A-V437A 0.675536180900369 L443A-A478A 0.66367749401683 F381A-A432A 0.656696659623663 F399A-E407A 0.656086722011386 A420A-F427A 0.652370861263843 F381A-T485A 0.646719044723218 S24A-I29A 0.628800680299513 V320A-A325A 0.62834714419099 F387A-A442A 0.613625177856117 L421A-Y430A 0.612832708458455 A377A-F385A 0.610140229411231 R28A-S493A 0.607722197660591 F399A-M408A 0.599864709100407 A414A-F431A 0.599662691092622 M417A-F431A 0.593755928353016 L421A-F427A 0.586658513258113 L27A-P32A 0.573972915450921 F132A-L441A 0.540096550150045 V124A-A433A 0.523962225676368 A383A-I482A 0.522208825870305 F381A-S435A 0.517006757295476 G388A-V434A 0.514181056757122 F387A-L443A 0.509437241653294 F387A-A481A 0.500804984984 V25A-L30A 0.49449061228355 L379A-L488A 0.490630501526401 F387A-S435A 0.489478603205068 I392A-L411A 0.477880359469965 F332A-D337A 0.477011138910563 F132A-E407A 0.474131622750371 F331A-F338A 0.470200247961632 H380A-A428A 0.46726805500461 F385A-S435A 0.462459175250607 I392A-S439A 0.460810422084262 F385A-A436A 0.456192975217395 F331A-A339A 0.451007167020343 L27A-S494A 0.448419465698469 S395A-L411A 0.443664071497797 V124A-R129A 0.439951004290932 Y394A-A442A 0.428386380282869 L384A-T485A 0.426621453553756 L421A-R426A 0.424664519962018 T324A-G329A 0.421127751420364 S395A-Y438A 0.42027733582762 A383A-P484A 0.418410146262119 L421A-F431A 0.396903550072957 M389A-S435A 0.393145800068957 I392A-R398A 0.392936940529269 A396A-L411A 0.391443691887729 V25A-A114A 0.389135406996861 F385A-S439A 0.387664455234073 L342A-R347A 0.383449032293969 F447A-A474A 0.38265864983158 F332A-F338A 0.380521155047469 I392A-Y438A 0.37771506819098 A120A-A432A 0.377514845011808 G391A-Y438A 0.37253713313374 L393A-R398A 0.370085472264885 A383A-A432A 0.365819937487352 A414A-A436A 0.365142778227362 S24A-P32A 0.361383648343505 V25A-Y486A 0.356107023212284 A390A-Y438A 0.355660528071848 L27A-A489A 0.355313316231801 A390A-A442A 0.352245818751076 I29A-F111A 0.350916084953084 G388A-Y438A 0.349455750497684 V124A-V437A 0.34836154701021 S24A-G117A 0.336045644245946 A442A-A474A 0.332240315603526 G117A-A433A 0.328138231100801 M417A-Y430A 0.328099934652931 Y397A-V445A 0.327912436004795 F331A-P336A 0.323728082818189 A390A-S439A 0.323686629330227 M389A-Y438A 0.3210689062018 G388A-A436A 0.318959118092586 A396A-A409A 0.31763316615754 K26A-Q492A 0.311995346283131 S395A-A440A 0.308954103245231 G423A-Y430A 0.308806828918106 R398A-Y438A 0.308781332028781 H380A-G388A 0.301623239222098 G382A-S439A 0.299890067551662 I392A-A442A 0.296216753372158 V378A-Y429A 0.292046090304924 A21A-L119A 0.283797108042938 L22A-G117A 0.283362275193778 L384A-A481A 0.280031736261173 L17A-I121A 0.279919731506411 R28A-G117A 0.278727336767021 D337A-V345A 0.277879947689104 G329A-L343A 0.277677072654674 F332A-R340A 0.273183920258917 R470A-L475A 0.268280189920157 A20A-I121A 0.267483834987405 S335A-N341A 0.260894747628976 A383A-A489A 0.259551535905287 V131A-L410A 0.254994832181651 S104A-L109A 0.251848738017778 M417A-R426A 0.2495111172071 S435A-A481A 0.244604887449858 S24A-L30A 0.243315506392942 A21A-A114A 0.242599741548507 G329A-L342A 0.241921034085709 P336A-N341A 0.24086139953752 A21A-I121A 0.24054426970638 S24A-L119A 0.238101053586533 I29A-A114A 0.237543437668473 R28A-Y486A 0.236964989318809 T128A-W413A 0.236651559696234 A339A-R347A 0.235123748005297 F418A-A433A 0.234277980912294 P113A-Y429A 0.234119868187503 A20A-G117A 0.232807339560588 M328A-R340A 0.232024959497293 H380A-S493A 0.231466805437508 N31A-Q492A 0.231056874559295 S395A-L441A 0.229187835571041 Y429A-V437A 0.229174816758466 H380A-P484A 0.228415729676357 A383A-A390A 0.226336745080161 L400A-P406A 0.225747458169945 L126A-P406A 0.223736877762212 P406A-Y438A 0.223388544830737 F447A-V471A 0.221914133778756 A377A-F418A 0.221012350755325 M328A-N341A 0.220459513134039 Y397A-P406A 0.21947347931314 V124A-V434A 0.219004870250643 S395A-A409A 0.216522785830665 D337A-L342A 0.215326276639023 G382A-A491A 0.214374671191951 M389A-S439A 0.212549778878161 P123A-S435A 0.212524445009435 V378A-S435A 0.211010437528004 A21A-G116A 0.21040119444161 V320A-L326A 0.209742143058513 L22A-V118A 0.208176955738841 I392A-W413A 0.207243503959977 F132A-V445A 0.20712285734713 T128A-G391A 0.20638012230055 P123A-E130A 0.206309535648592 A377A-F387A 0.206113014287473 A383A-A480A 0.205936309999063 M417A-V437A 0.204296801653568 V131A-F399A 0.202793430601369 T128A-V437A 0.202574498852318 G391A-A414A 0.201664609589821 A390A-Y397A 0.201092840525998 R28A-A491A 0.200216795759196 V346A-G423A 0.200209697190164 V131A-R398A 0.199979351873038 G382A-Y429A 0.199919938800528 N376A-Y429A 0.199518504073824 T375A-P484A 0.198072680430087 L384A-V434A 0.197837470744249 V346A-M417A 0.197301145750016 S24A-P113A 0.197209528678055 R28A-N34A 0.196831841091894 N376A-R426A 0.196270044895216 S395A-L410A 0.196260758198735 F387A-Y483A 0.195882440207898 G117A-V124A 0.195654302588668 F385A-Y486A 0.194689665612946 S15A-S24A 0.194458010249628 L27A-N34A 0.194102735690538 V378A-F387A 0.191519139472783 A325A-F332A 0.190773106302174 M389A-S444A 0.188206245143694 M328A-S344A 0.188163847916268 A416A-F427A 0.188051974139512 R398A-V445A 0.188026976986043 T375A-A428A 0.187046050855419 L109A-G116A 0.187028685860126 A440A-I482A 0.185091297120593 N31A-F111A 0.184283986204591 H380A-Q492A 0.183721180049717 G423A-Y429A 0.183454000973594 S24A-P123A 0.182800505681825 L127A-M408A 0.182595740966284 V345A-M417A 0.182518067592272 Y125A-E130A 0.182237745421111 Y394A-V437A 0.181973349908692 L476A-P484A 0.181967882082501 R28A-P113A 0.181680093837678 G117A-Y125A 0.180968091055407 A396A-I415A 0.18079388769496 G388A-Y430A 0.180671331019615 A396A-Y438A 0.179707200820422 S439A-L479A 0.179317972576976 D337A-R347A 0.179240569825083 L27A-G116A 0.178078845737877 G388A-F418A 0.178047385688718 Y397A-F405A 0.177628256772515 H380A-V434A 0.176363901624958 G117A-Y430A 0.175204733519228 A377A-G382A 0.174359313453558 F387A-T485A 0.173918286400959 V108A-I115A 0.172834546262608 M417A-Y438A 0.172736210967426 G116A-Y429A 0.170113987875698 Y125A-S439A 0.169060887878154 L379A-S493A 0.168445098408653 I392A-A436A 0.168366980772753 G388A-L410A 0.167569761321757 V378A-A480A 0.166769346543695 F132A-A442A 0.166216506840996 F399A-F405A 0.164974764303407 P123A-T128A 0.164741000545939 A110A-G116A 0.164711602360602 P32A-G117A 0.164651812575791 P123A-Y430A 0.163536168617193 G116A-I121A 0.163525652992607 G388A-A416A 0.163236874320289 S435A-P484A 0.161965943714744 Y429A-A436A 0.160247769246456 G388A-M417A 0.160168810008739 F447A-F473A 0.160021647485434 L126A-V131A 0.159611039646068 A383A-V434A 0.159456293871888 F386A-A440A 0.15838665742044 A396A-A414A 0.158242475272358 A377A-Y429A 0.15737904045419 A383A-V437A 0.157109622364342 L384A-V437A 0.156862543602951 N376A-L384A 0.155093675858726 H380A-L421A 0.154471607888688 R398A-A442A 0.15431498776298 N34A-D490A 0.153803840765904 G382A-L488A 0.153221791642222 S439A-A480A 0.153150347673494 A436A-I482A 0.152532779479102 F386A-T485A 0.15183607216399 R28A-A120A 0.151784350669548 A120A-A436A 0.151757822809525 M389A-I412A 0.151133196110889 S435A-S444A 0.150749372247704 Y397A-Y438A 0.150715696885084 G391A-A440A 0.149999979719592 I392A-A416A 0.14990235326026 L384A-S439A 0.149279049057057 R398A-A409A 0.149101509055513 L384A-I482A 0.148740938405925 V437A-A481A 0.147705552169957 V131A-P406A 0.147361145952622 G388A-T485A 0.146895701820119 L411A-V434A 0.146450811866627 M389A-L421A 0.146420911081473 A20A-R28A 0.146355571641223 A481A-I487A 0.145834700754339 M389A-V446A 0.144241449695718 L27A-V118A 0.14409341061927 V131A-A414A 0.143911803962396 F418A-Y438A 0.143772158935008 V131A-A396A 0.143505632445404 M389A-L410A 0.143477693432193 T375A-T485A 0.143467613993497 A390A-R398A 0.143046168463146 S395A-V437A 0.143004910747941 I121A-A440A 0.142768282870808 L27A-I121A 0.142595906809909 L384A-Y429A 0.14236956809956 A442A-I482A 0.139787099676981 P484A-Q492A 0.139223364694238 R398A-P406A 0.139000900872887 I19A-I121A 0.138807852954216 P32A-P113A 0.1381268146644 F427A-S435A 0.138004569008353 R347A-A420A 0.137945451043607 T128A-L410A 0.137857782319602 N376A-F418A 0.137431224650106 Y397A-L410A 0.137252473386813 M328A-D337A 0.137109446959133 I321A-G329A 0.136992375376909 A377A-R426A 0.136202671313338 E130A-V437A 0.135626179308608 K26A-G117A 0.135295923119779 L384A-A436A 0.135082310044402 W413A-S435A 0.134772984401009 N376A-G423A 0.134535150897674 I321A-L330A 0.134532670023508 E130A-Y438A 0.133987999819384 G117A-P123A 0.133493731723244 G116A-P123A 0.133436546860364 I419A-A428A 0.132006013804283 M389A-Y430A 0.131904200170748 A377A-A433A 0.131616308066085 I23A-I121A 0.131489294431529 I23A-Y483A 0.131116035641151 Y430A-Y438A 0.130512165444693 L22A-L122A 0.130404226418513 A414A-Y429A 0.130199326515528 I327A-A339A 0.129038290532859 A21A-V124A 0.128375530894333 S24A-N31A 0.128318878102542 L379A-Y483A 0.12817137549422 I477A-T485A 0.128005997488478 A325A-A339A 0.127845272147018 G382A-G391A 0.127516758008205 V25A-D490A 0.127395490768956 M389A-Y397A 0.127175720943548 M328A-V346A 0.127047286165591 T128A-I392A 0.126873267551837 S395A-I412A 0.126553072784116 M417A-V434A 0.12470602286528 A377A-Y430A 0.124631610345479 G329A-F338A 0.124464819361813 G391A-I415A 0.124425778631545 V437A-V446A 0.122588285132291 A377A-P484A 0.122286122819018 L342A-V348A 0.121667299699766 W413A-Y430A 0.121558862515182 V16A-V118A 0.121531572151066 V18A-A120A 0.121328030556557 G382A-Y430A 0.121245729711833 T128A-P406A 0.121059792628897 S24A-A433A 0.120722969085484 L127A-A409A 0.120275097790247 F332A-S344A 0.119819041658962 Y430A-A436A 0.119721173172289 A120A-V434A 0.119585991869244 L27A-Q492A 0.118381697484758 H380A-Y486A 0.118297367221474 A414A-V434A 0.118214207730676 L30A-Q492A 0.118148681580587 N31A-L488A 0.117615784175789 V124A-Y429A 0.117539782191804 S24A-A432A 0.117462078995838 I415A-A432A 0.117360123671884 R129A-S444A 0.117049869216946 L374A-A383A 0.116991435318297 V131A-V445A 0.11663129377341 S435A-A489A 0.116619325608804 A436A-A489A 0.116428498036167 G117A-A489A 0.115914030291917 G382A-A478A 0.115901130431714 H380A-Y430A 0.115840288662854 Y125A-P406A 0.115713489047395 F132A-F405A 0.114929943888372 A325A-L342A 0.114758226314079 A20A-Y125A 0.114388225802411 L14A-L126A 0.114096409259565 L393A-L443A 0.114054256210169 V322A-L330A 0.113911820213564 M417A-F427A 0.113214689839189 A390A-A436A 0.113093951662496 G388A-A440A 0.112779413320254 G388A-A478A 0.112668197517607 A432A-A489A 0.112632507984853 L384A-L479A 0.112411403555964 S444A-V471A 0.112364517963612 R426A-A432A 0.112269001486664 L411A-V437A 0.112257735331192 A436A-Y486A 0.112157919888986 G388A-V446A 0.112089947936766 M389A-A440A 0.111687414347163 R129A-A436A 0.111411859691028 N376A-L488A 0.111277783230385 A396A-M408A 0.111257069261999 L17A-A120A 0.110766693463746 A416A-A428A 0.110350273510336 G382A-V434A 0.110251240015697 A409A-V434A 0.110052082270104 Y429A-S493A 0.110044256575148 S24A-Y483A 0.110044256575148 A377A-V434A 0.110042388330787 I23A-T485A 0.109819732352943 R470A-A478A 0.109380063928203 L330A-L342A 0.109249366092727 L22A-N31A 0.108618225398939 A120A-Y430A 0.108551367419001 V434A-T485A 0.108208206220879 A432A-A440A 0.107794792976701 F381A-Y430A 0.107579239214617 A120A-L127A 0.107438264913209 L343A-A420A 0.1074190416186 F386A-V434A 0.107417723224235 A414A-S439A 0.107361644959713 L30A-S493A 0.107307859922566 A20A-I115A 0.106855199883977 L326A-V333A 0.106686741459089 A377A-A489A 0.106668775815415 G388A-A480A 0.106655687070069 V378A-V434A 0.106453290420874 V437A-V445A 0.106417017491159 Y394A-P406A 0.105932691272395 A390A-L410A 0.105868079058809 A472A-A480A 0.105720248061343 S435A-T485A 0.105641440328139 F385A-A440A 0.105604684878024 A416A-S435A 0.105566838516622 G391A-A433A 0.105420176024219 L122A-A432A 0.105372330177559 L17A-V124A 0.105312277181738 Y394A-S444A 0.105287478976234 A383A-A440A 0.105283838292038 I419A-Y429A 0.105201544749991 G391A-L443A 0.105154055165012 G382A-A433A 0.105139973230249 V378A-Q492A 0.104908860969067 F386A-A428A 0.104617470464963 Y394A-L443A 0.104614159865201 F381A-Q492A 0.104522769612419 G391A-F447A 0.103577376165787 F381A-G388A 0.103170782289887 L379A-D490A 0.103169491114891 L410A-A433A 0.102944829394546 A396A-S435A 0.10293325587095 V378A-A390A 0.102764188344771 A416A-G423A 0.10263151619391 N34A-R106A 0.102600148227099 F387A-A440A 0.102549079214082 I412A-Y430A 0.102461267669111 L379A-Y486A 0.102320490191379 R28A-G116A 0.102313469027179 A20A-A489A 0.102290830395573 T375A-A383A 0.102085156358593 L393A-A414A 0.102053592907008 L14A-Y125A 0.102035426850023 S444A-I477A 0.101869341927491 L421A-V434A 0.101750480723868 M408A-Y438A 0.101742220700154 P123A-A440A 0.101431336209266 G391A-A480A 0.101034830399791 S24A-I121A 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