[Wed Aug 24 18:31:24 2016] >Input file: TM3DDLCGD.pdb >TM segments: A8-34_A44-67_A86-105_A119-140_A142-166_A189-209_A214-237 MAIDEN score = -51.8844 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. ----------- ---------------- BBeads pair Empirical energy ----------- ---------------- H59A-R90A 1.34090742381671 L126A-P159A 1.25879876581607 I44A-E104A 1.12563071000409 V21A-F61A 0.971089713985596 L133A-W152A 0.936369615804693 W94A-I131A 0.867076180999342 D227A-A232A 0.854093620654534 H59A-D93A 0.844036140944105 A127A-P159A 0.828360832905405 D93A-V98A 0.824196360631799 T25A-F54A 0.822557448478685 L95A-I131A 0.811156763098068 L192A-W197A 0.769601643461201 L133A-L155A 0.744715334369237 F14A-T64A 0.733085480974258 M24A-V53A 0.732654588511641 F28A-V53A 0.72827218005149 V53A-K231A 0.72825072972418 Q9A-V217A 0.723838715148159 W197A-A226A 0.710532692290508 T25A-V53A 0.707935913921038 A56A-D93A 0.69533752731521 V13A-Q220A 0.686303257616831 A34A-M46A 0.683430974094373 A189A-L237A 0.66818329456668 L193A-A230A 0.660779803589298 V52A-K231A 0.659176752823818 T20A-Y60A 0.657672639862032 M130A-L155A 0.650335989411621 L145A-M208A 0.64858159442682 V53A-A232A 0.6323300822671 P99A-L123A 0.63031645102712 F31A-M47A 0.624371269518351 A189A-Y234A 0.622704099741005 K122A-A127A 0.616152981719363 L95A-A127A 0.609875102838518 F199A-A226A 0.606580997585993 A127A-F160A 0.603889321608344 M24A-A56A 0.60324487053533 V221A-A226A 0.596388634672534 M24A-F54A 0.593304297404084 F31A-M46A 0.591851312815768 P99A-A128A 0.579588886892242 S49A-G235A 0.575152820973154 M130A-T157A 0.556616157886025 V21A-Y58A 0.546376578365105 L129A-S156A 0.539859429852038 W94A-A128A 0.532164597195085 L126A-F160A 0.529955626473079 G134A-S156A 0.528665577132633 A144A-M208A 0.519956311231452 F28A-L51A 0.518247719973641 V21A-A26A 0.513910118898204 F14A-W67A 0.5097027008462 F17A-T64A 0.508344324163628 F28A-F54A 0.507215019818152 L229A-Y234A 0.507179053514419 F31A-A50A 0.506450886731423 A143A-T148A 0.505957741306192 V32A-A50A 0.505934550521848 V48A-L100A 0.505797468104822 L192A-A230A 0.50219425942904 V29A-A34A 0.497341185803001 S140A-R149A 0.492728820408516 V48A-E104A 0.485196200525561 L129A-P159A 0.476306703105561 F28A-S49A 0.473431070969184 V53A-Y58A 0.472368285473164 M24A-A232A 0.468507806050126 F28A-L33A 0.463266348009448 L123A-I163A 0.456823176739308 P99A-F125A 0.453803265850626 F54A-H59A 0.453613449198954 S27A-A232A 0.453396625202274 Y91A-Q220A 0.450492659530011 I44A-S49A 0.449198391096562 S45A-V103A 0.447011201321412 R62A-N86A 0.44031685717016 S49A-L100A 0.43966546841463 E138A-P201A 0.436641224188027 E138A-P207A 0.435898360495629 V21A-A56A 0.432481342937484 V98A-A128A 0.432387591315288 V29A-A50A 0.428223220250019 L101A-K231A 0.424904872874254 R90A-L95A 0.423561011276554 L145A-L151A 0.421788551172112 Y135A-S140A 0.421046922587808 L164A-R190A 0.419672359696373 L192A-Y234A 0.417487758073587 V228A-Y234A 0.413616656223731 V52A-L96A 0.410845759174023 V103A-L123A 0.410689796872667 Y135A-W152A 0.410445787807955 M130A-S156A 0.410009889386034 Y60A-S65A 0.405632666711251 V52A-L100A 0.405243839629617 I63A-R90A 0.404317740151058 V103A-L119A 0.402320736369783 M130A-I158A 0.40009390428194 S27A-V32A 0.39903067559366 I63A-Y89A 0.397482147128282 T25A-G57A 0.397337087247906 V48A-L101A 0.387959443185275 F17A-Y60A 0.383778311891277 S140A-T148A 0.379637054962893 A203A-A226A 0.377164235190644 M16A-T224A 0.373731904557289 A26A-A56A 0.373688913047845 P136A-R149A 0.373175400754096 L133A-G153A 0.367771703820625 P99A-L126A 0.367436575093867 I55A-R90A 0.366847270823001 S27A-A50A 0.362906665353199 W197A-A230A 0.361622713566504 A143A-A203A 0.3607444079647 T102A-L123A 0.358996855861992 V132A-S156A 0.358711852207247 V53A-Y89A 0.356377632729857 Y135A-G147A 0.354915534103155 I131A-S156A 0.352858357013496 M16A-I225A 0.35179514436947 W67A-N86A 0.351711442486915 Y204A-Q220A 0.351527997156945 V52A-Y89A 0.350823789879628 Y91A-I131A 0.342714049869187 A22A-A232A 0.33579647306223 S18A-Y60A 0.333485132847944 F17A-F61A 0.332701526897447 G57A-A232A 0.330095666373423 W152A-P159A 0.329538188223449 T23A-A232A 0.324376619819677 V98A-D227A 0.323149086744039 T196A-L229A 0.321712627837738 F17A-I63A 0.321528641754105 L100A-G124A 0.317591073164659 V92A-Y223A 0.315792350088061 A143A-G153A 0.315626650629927 S66A-A88A 0.314758416043123 L133A-E138A 0.314341981763167 G153A-G198A 0.312221088170383 L12A-V217A 0.311832978334333 M16A-V221A 0.308945725877968 A88A-D93A 0.307940643562266 S18A-A56A 0.307707232548542 G153A-A203A 0.305438090773121 K231A-V236A 0.301604166665953 S27A-S49A 0.299254857091018 P99A-Y234A 0.299204699447147 A22A-K231A 0.298474539734578 L219A-T224A 0.297585228704442 A203A-L219A 0.29742107140916 V98A-Y200A 0.296794107244663 I225A-A230A 0.296044248141313 L123A-A128A 0.295100224522207 G57A-Y91A 0.294307922111584 T64A-T224A 0.291969007103296 S45A-L105A 0.29185596741249 L101A-G233A 0.290078884399418 Y91A-P99A 0.289605492318849 G134A-G147A 0.284174518955489 N142A-G147A 0.283764096995407 L51A-A56A 0.283377682219222 V52A-Y91A 0.282745324314472 T102A-P159A 0.28212413522585 L96A-A128A 0.279730192221385 T102A-W162A 0.27591568527885 T97A-W197A 0.275630101977146 M16A-H59A 0.273290845225388 F30A-A50A 0.272673844633673 A26A-S49A 0.27183868200806 N15A-R62A 0.269855845861977 A26A-G233A 0.268788959780584 V32A-M47A 0.268723007378096 D87A-Y223A 0.267717882022598 A26A-G235A 0.267026685324494 R149A-Y200A 0.264280008487134 M130A-R149A 0.263353074900941 M24A-G57A 0.262263084895939 D87A-Y135A 0.262195576228203 T20A-G57A 0.262072059468263 D227A-V236A 0.261652173291081 G134A-R149A 0.260446360356831 P159A-Y200A 0.259683813958282 F146A-L151A 0.257635231953346 S27A-L51A 0.256990868565522 N142A-P207A 0.255164377458619 Y135A-R149A 0.255029964804795 Y60A-R90A 0.254334172810529 K122A-P159A 0.252933970921698 G222A-A230A 0.251351733920167 A143A-M205A 0.250239119339073 L105A-G124A 0.249206204439253 D87A-D227A 0.248853664619982 V21A-D227A 0.248815613488593 H59A-Y223A 0.247977325158983 W197A-K231A 0.247744520522666 T215A-T224A 0.246708950328103 T102A-T196A 0.246569402797889 F31A-S49A 0.244950382355977 L12A-T64A 0.242005977464647 L51A-P99A 0.24047018493685 L192A-L229A 0.24034462567214 G147A-Y204A 0.239534135975514 V13A-V221A 0.235567209473208 T97A-L126A 0.235149350724355 P209A-Q220A 0.235049618585798 W197A-G222A 0.234946918879936 Y60A-D227A 0.234400249743314 V103A-G124A 0.233388538974882 T148A-T157A 0.233145595428482 G137A-A203A 0.23278529146349 Q9A-M16A 0.232444619467501 Y58A-V228A 0.231359000568544 W94A-T224A 0.231278523393367 T20A-L229A 0.229535047327648 V52A-V98A 0.229323047906513 L191A-G233A 0.226012356515001 G124A-W162A 0.225712842541786 G134A-N142A 0.225128339590641 K122A-Y165A 0.224410415495626 F146A-G153A 0.224400882698087 F17A-Y89A 0.224361645015655 P136A-L155A 0.223531317410854 W94A-T102A 0.223163288297489 R190A-K231A 0.22294929128204 F14A-Y223A 0.222000016330561 I55A-Y60A 0.221680346889664 R90A-A226A 0.220907657388973 S45A-P99A 0.220376723805007 L193A-G198A 0.219649106531472 V161A-G198A 0.21926760667849 H59A-T97A 0.217247230437215 W94A-G124A 0.217142969073616 S11A-A218A 0.216930523925867 Q9A-N15A 0.216658530309781 S140A-P201A 0.216077358276304 E138A-G147A 0.215965872550792 T157A-W197A 0.214497579236153 P159A-L194A 0.214403034080504 N15A-G222A 0.21423121190707 M130A-F154A 0.212630183901858 T20A-G222A 0.21137626047677 V132A-F154A 0.210766584170642 W94A-T196A 0.209996018348145 T23A-L229A 0.209768443812617 Q9A-F17A 0.209267921664961 T23A-H59A 0.209225833894066 S11A-V221A 0.208416790304817 V52A-T97A 0.208252878927771 L12A-T224A 0.208101494509011 V103A-F125A 0.207963420507979 R62A-Y89A 0.20774433838678 M16A-R62A 0.206297770325674 S156A-Y200A 0.205995428717428 V13A-V217A 0.205553241374719 I63A-D87A 0.205410778443628 P159A-W197A 0.205094386793286 S27A-L33A 0.204881154067783 Y91A-D227A 0.204720335087305 M46A-L51A 0.204588696687056 I163A-T196A 0.20455092828865 Y60A-V221A 0.204194367113397 D87A-V221A 0.204031717561915 M47A-L237A 0.202955936474102 M130A-L164A 0.202701865726609 I163A-W197A 0.201382314268244 A195A-D227A 0.201362453088434 V98A-G124A 0.201295559194722 Y223A-V228A 0.201057154551656 N142A-G153A 0.200492484352714 M24A-F30A 0.199306357745147 L194A-P201A 0.198631407872887 V139A-R149A 0.198422064839628 F17A-V228A 0.19809631399296 E138A-Y204A 0.197429284982558 V103A-G235A 0.197027019382769 R62A-Y91A 0.196947764642402 T196A-D227A 0.196880067879113 L193A-P201A 0.196706723507546 N142A-P209A 0.196617499272135 S45A-L101A 0.193343382879149 T25A-H59A 0.192573764132535 M24A-L33A 0.192442284404553 Y89A-Q220A 0.191863175146779 V52A-G233A 0.190364445841511 I202A-T215A 0.190176130790699 T102A-G124A 0.188975074755827 E138A-R149A 0.18833085679955 I216A-V221A 0.188136346393098 Y223A-K231A 0.187390870990255 T20A-G233A 0.186325513145997 V32A-M46A 0.185960897056198 A127A-G134A 0.185947125891569 P136A-P207A 0.185130771210936 W94A-G134A 0.184784460285468 A195A-T224A 0.183374556725348 M24A-K231A 0.181569518409349 A195A-I202A 0.181437248707872 L105A-K122A 0.181025019160578 D93A-Y223A 0.180864651597779 S18A-S27A 0.180547422416433 P209A-L219A 0.180362036479069 Y89A-E138A 0.179944025966821 S45A-A232A 0.17911695712441 R190A-D227A 0.17845393859348 F17A-N86A 0.178334351972977 L155A-P201A 0.178190529319003 M130A-G198A 0.177653591244683 G147A-W152A 0.177137216166612 R149A-F154A 0.176459666824595 G150A-Y200A 0.176231283452184 S45A-Y234A 0.175729080493163 F14A-T224A 0.175585169164922 T20A-T25A 0.175487973638976 T20A-A56A 0.175403962393526 L126A-V132A 0.173135698460743 Y60A-A88A 0.172756120594014 Y135A-Y200A 0.171846520601397 E104A-K122A 0.1714875213278 M130A-G150A 0.171084759066473 Y200A-M208A 0.170322789353619 H59A-D227A 0.169870119053149 S156A-L164A 0.16965118360902 F17A-G222A 0.16917574927376 T97A-G235A 0.168629690526285 R149A-A203A 0.168392249924503 S27A-Y58A 0.168037364986114 Y200A-D227A 0.167325467332525 T97A-L123A 0.166827855692222 V103A-A230A 0.166634137798172 D93A-A127A 0.165609449872975 A26A-A34A 0.16547560356738 R90A-V98A 0.165276137179796 A56A-G222A 0.16526809802007 S66A-Y89A 0.16510084053108 V98A-A232A 0.165026591832721 L33A-G235A 0.16482176786653 A56A-D227A 0.163901442443301 A50A-V98A 0.163613179108643 L105A-K231A 0.163068276393269 A226A-K231A 0.163013097190181 P99A-S156A 0.162359328955672 W94A-A127A 0.162205050072032 G198A-G222A 0.162051499430977 A195A-G235A 0.161839309114146 T25A-G235A 0.161693016146851 V52A-E104A 0.161657363397224 Y58A-S66A 0.160888976512799 S18A-H59A 0.160598216222471 S18A-Q220A 0.160582778322887 G124A-L164A 0.160524248820975 W94A-K231A 0.16019577414153 D93A-T224A 0.159961488715304 M130A-F160A 0.159484128109921 Y58A-I63A 0.159073630940836 G222A-D227A 0.158539864621374 L191A-W197A 0.158181085248963 L145A-W152A 0.157954599731819 T97A-E104A 0.157769621880215 F199A-Q220A 0.156762774668763 Y89A-V139A 0.156471696886695 V48A-A120A 0.155617896352933 P209A-G214A 0.155510409786052 W94A-L123A 0.155426918006194 H59A-T224A 0.154950908567739 V161A-Y200A 0.154175593645501 V13A-S18A 0.154036683393962 R90A-M130A 0.153370125959633 G8A-G214A 0.153047364663531 W162A-L193A 0.152723109148246 A143A-M208A 0.152063519283358 A128A-Y135A 0.151705154900964 V13A-I216A 0.151656886521622 N86A-S140A 0.151369465366653 M47A-L96A 0.150384937853445 I163A-A189A 0.150084605770524 S18A-W67A 0.150084401799153 I55A-T224A 0.150056363092612 I166A-A189A 0.14996549429275 N15A-D227A 0.149924271269476 F160A-Y165A 0.14885586756097 G57A-D93A 0.148098385423885 V161A-I166A 0.147893424576841 L119A-G124A 0.147678231173823 V217A-G222A 0.147125923943028 N86A-L219A 0.146165058953445 W197A-T224A 0.146148102507906 L192A-Y200A 0.145844947687548 T97A-K122A 0.145179687647274 G198A-M205A 0.145031556847729 H59A-V228A 0.14406098738984 G222A-A232A 0.143811988310472 T97A-T196A 0.143743509485152 G57A-G233A 0.143468283446184 G137A-N142A 0.143230336084637 M130A-G137A 0.142870407511677 M24A-V48A 0.142538866445888 R149A-Y204A 0.142520615745108 S156A-F199A 0.141832580309437 E138A-I202A 0.14121078947773 W152A-Y204A 0.14120572772633 H59A-D87A 0.140956022488269 M130A-Y204A 0.140727651380387 V48A-V228A 0.139965706925997 Y91A-P201A 0.139844496976849 M24A-G235A 0.139461377053293 L129A-G153A 0.138664980484261 D87A-V217A 0.138603108316742 Y60A-W67A 0.138503467578579 T148A-P207A 0.138080441988784 A22A-T224A 0.137534887221813 S27A-V52A 0.137091364856356 L126A-I163A 0.137056272317784 P99A-K231A 0.136834405029514 V103A-A128A 0.136700088057349 W197A-M205A 0.136053035905948 V92A-D227A 0.135913911233235 R90A-A230A 0.135794007288886 F30A-V48A 0.135250401582079 T157A-T196A 0.134780074698533 Y200A-L229A 0.134730342015319 M24A-Y223A 0.134509437095577 L133A-Y200A 0.134335104318086 H59A-A232A 0.134241001761075 D93A-A230A 0.133835126056379 G57A-R62A 0.133241525471218 A34A-A232A 0.132402283514763 H59A-T64A 0.132305089516427 R90A-Y223A 0.131846431104258 A127A-A230A 0.131452278145503 N15A-T23A 0.131407819369017 L145A-P201A 0.131353590475991 L100A-L237A 0.131081463712234 M130A-V139A 0.130899554524563 G137A-L151A 0.130650943702649 L129A-T157A 0.130601790511161 V13A-W67A 0.130383607850453 V98A-L105A 0.130233625436888 Y10A-N15A 0.130131804180942 P159A-P201A 0.129914453757486 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