[Fri Aug 26 18:27:41 2016] >Input file: TMQ8IUR5S11D.pdb >TM segments: A611-673 MAIDEN score = -10.1793 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 ----------- ---------------- H619A-Q641A 1.63895235121603 L626A-L631A 1.17420213050084 I643A-H649A 1.01753417777536 V636A-L656A 0.736113180159314 I643A-M653A 0.724825639532123 L626A-P632A 0.724597465206585 V627A-A635A 0.684930691747496 R661A-N666A 0.680628075150195 V627A-K634A 0.640865200016322 D617A-H650A 0.638663977443315 V636A-Y660A 0.564816169905309 H619A-H638A 0.556208721846029 Q640A-L656A 0.55431154728843 L626A-A635A 0.545738960788483 F625A-A635A 0.535376064047396 Y660A-N666A 0.516396130372084 V636A-L659A 0.510415481390041 P632A-L659A 0.481395430889533 V624A-N655A 0.466351543235134 S615A-L645A 0.463379041042278 N620A-V651A 0.45567856275436 S616A-I643A 0.455030458241268 Y622A-A635A 0.441013642635924 P632A-L663A 0.433720387709224 N620A-K644A 0.433153972718318 N620A-K634A 0.398115061141232 H650A-N655A 0.393980144007578 S615A-H638A 0.392760446559202 D617A-H638A 0.387673817523278 P632A-E665A 0.386198649904524 A642A-A652A 0.378245325042065 Y639A-L656A 0.377190169244599 S616A-H650A 0.37483666255822 Y639A-N655A 0.373355791289796 C612A-K644A 0.369356582044434 R658A-L663A 0.36621084423129 H619A-M653A 0.362207948946596 G630A-Y660A 0.359406461804339 A635A-L659A 0.353261107123349 H619A-H649A 0.35247728530467 D614A-A642A 0.348917868872658 Y622A-G630A 0.347841422479475 G657A-E671A 0.34442610007917 P613A-S646A 0.342075048122854 N666A-W672A 0.340621389224562 G657A-W672A 0.336658919858301 I643A-A652A 0.3298201361283 N620A-P647A 0.326502180177532 P613A-N620A 0.325669055912392 H619A-Q640A 0.318399139393089 V654A-W672A 0.317869763883633 S616A-A642A 0.313468029059855 V624A-Y660A 0.309848417769063 A635A-L656A 0.308265213051951 Q640A-A652A 0.301760297683122 H638A-G657A 0.29946515524062 S615A-A642A 0.298801535515238 A642A-P647A 0.293767356164816 S616A-Q641A 0.29223962669425 Q641A-M653A 0.290845802661217 Y639A-M653A 0.290736878449346 G623A-V636A 0.286007460104178 R658A-E665A 0.284690931293415 K634A-S662A 0.282903155862446 G623A-K634A 0.282887449078476 L618A-A642A 0.280208102571414 L656A-R661A 0.276385025515449 K644A-H650A 0.273947519132 S615A-H649A 0.27084396987683 D617A-A652A 0.270826573115858 H638A-Y660A 0.270121179059407 H638A-H649A 0.269872554100797 N621A-E633A 0.267612405223759 G623A-Y660A 0.266867165559855 C612A-H638A 0.265751988318902 A637A-A652A 0.26516947957346 H650A-Y673A 0.263830394086879 A635A-S662A 0.260234313948727 N655A-S662A 0.2596959169494 G623A-G657A 0.257981947288152 H638A-L659A 0.25740818178163 D617A-Y622A 0.256485481843261 Y660A-E665A 0.25600655596692 V627A-L659A 0.255360055262344 S615A-Y622A 0.247837443788554 N620A-L656A 0.237860651207318 H638A-S646A 0.237433938671781 E633A-Q641A 0.232804762288068 N620A-G657A 0.231065901085091 Y639A-K644A 0.231054282076272 E633A-N666A 0.229537846796568 A637A-Y660A 0.229051591630587 F625A-E633A 0.222986774024384 S667A-Y673A 0.222228613080103 S615A-N621A 0.221836412682953 K634A-Y639A 0.22165086207804 R661A-M668A 0.221484250795097 V624A-V636A 0.21956044052995 H638A-N655A 0.217603181943913 Q640A-S648A 0.217472034943159 N620A-S646A 0.217070192295973 V627A-E633A 0.212467344990587 V627A-P632A 0.210391215187318 N620A-I643A 0.210258023218584 V624A-L656A 0.209297583819512 V627A-L656A 0.208902650585642 M653A-R661A 0.207487095909328 K634A-A642A 0.205489358821779 F625A-V636A 0.204746690148836 D617A-A642A 0.203315125689158 I643A-S648A 0.202289086670916 G630A-V636A 0.199762090460065 C612A-Y622A 0.198055383157551 N621A-M653A 0.194794691293775 P613A-Y639A 0.190390389800201 E633A-L663A 0.18995816491775 P613A-Q640A 0.188816509870112 Q641A-S648A 0.187750246379252 M653A-S662A 0.187293616246886 S616A-A637A 0.186394681308436 H619A-V627A 0.1852350090844 Y622A-E633A 0.184276900009201 E665A-Y673A 0.181841855430284 K644A-L656A 0.181657936894915 K634A-L663A 0.1814265382142 D628A-R661A 0.179117663610883 H638A-V651A 0.178053616359148 H649A-G657A 0.175768914647863 S615A-P647A 0.174910539093769 D617A-Y639A 0.17486551914751 R658A-A669A 0.170837885059532 Y660A-E670A 0.167200650031725 N621A-L626A 0.167177199675691 V654A-A669A 0.166755624616094 G630A-G657A 0.164994931493235 N620A-L659A 0.164952253252436 P613A-H638A 0.162727457401326 Y639A-H650A 0.162524899523438 C612A-L645A 0.161344401767498 M653A-S667A 0.160118004158491 D614A-P647A 0.158883667526229 H638A-H650A 0.155077246827911 D614A-H619A 0.154805848106245 P632A-Q640A 0.151940435610627 N620A-P632A 0.151371510020062 S648A-V654A 0.151085821034723 L631A-H638A 0.148692052814708 A635A-G664A 0.148161632367158 D628A-N655A 0.14505370887348 G657A-E670A 0.144576441626394 G630A-G664A 0.143469271013994 K634A-Y660A 0.142969091553196 N655A-L663A 0.139326854324209 N621A-D628A 0.138051325818704 A635A-R661A 0.137701538734216 G623A-M653A 0.137610365745424 S616A-V624A 0.136811674834821 R658A-W672A 0.136588370079251 N655A-W672A 0.1348950411727 N621A-A637A 0.132237516338499 A635A-V651A 0.13216658246987 E633A-Q640A 0.131806501198513 R661A-W672A 0.129546092676902 N620A-E633A 0.128352177568271 N655A-E665A 0.127057045205598 S615A-A652A 0.125826670063054 N620A-Q641A 0.125465997322752 S615A-A637A 0.124891682016846 G623A-A637A 0.122409716213561 N620A-Q640A 0.122307873203498 C612A-S646A 0.12104540833182 P632A-G657A 0.120593213270431 S616A-S646A 0.117455018733914 Q640A-S667A 0.114087792990675 V627A-V636A 0.113962627984712 L618A-S646A 0.11374652722452 A637A-S662A 0.113602639966374 D617A-V654A 0.112026127758692 N611A-S616A 0.109476791531299 G630A-L663A 0.108485666505814 L626A-L656A 0.107953302491961 V636A-R661A 0.107824545948832 L656A-M668A 0.107594119491854 Y622A-I643A 0.107034983615633 D617A-H649A 0.106718678718538 D617A-S648A 0.10514839754079 T629A-N655A 0.105099385837167 S662A-A669A 0.104392599670986 Y622A-V651A 0.104383429996206 P613A-A637A 0.103855930311795 A642A-N655A 0.103435987572986 N620A-R658A 0.102598187448454 Q640A-N655A 0.102587747410145 H650A-W672A 0.102155912808205 Y622A-Y639A 0.101423816237645 V624A-Q641A 0.101256463030064 V627A-V651A 0.101020747422197 D628A-S662A 0.100204534308465 L618A-K644A 0.100017438046627 I643A-N655A 0.0987041223178098 V627A-A642A 0.0979702527986337 L659A-A669A 0.0978078840356309 N611A-N621A 0.0977897898222515 Y622A-L631A 0.0977565407869763 E633A-R658A 0.0973531286582034 E633A-R661A 0.0971698432140882 Q640A-R658A 0.0969049771024384 N655A-N666A 0.0968424896737951 A635A-G657A 0.0967452886139846 N621A-R658A 0.0965945232860932 D617A-G623A 0.0961976061050231 E665A-E671A 0.0955328726906424 L645A-V651A 0.0951034157046324 A642A-H649A 0.0950156841570546 G623A-H649A 0.0943987943097007 N620A-H638A 0.093870888929815 A637A-L645A 0.0933403702998337 V627A-G657A 0.0928301212399383 L663A-A669A 0.0927080324582514 V624A-L631A 0.0913545180325421 A637A-P647A 0.088468883656966 V654A-S662A 0.0882303701643909 L631A-S662A 0.0868361134826552 L659A-Y673A 0.0858952701556861 L626A-R658A 0.0857829527277278 T629A-S662A 0.0845882785195382 D628A-A635A 0.0838906989133803 L631A-R658A 0.082053614552408 Y639A-S648A 0.081836623294981 D628A-E633A 0.0801039451281351 D614A-N620A 0.0800968415499286 K634A-A652A 0.0772588100774509 Q640A-L645A 0.0760055285235319 L626A-A652A 0.0752000804415807 N655A-Y673A 0.073634179978421 Y622A-M653A 0.0733731299925284 Q641A-V651A 0.0729604468754365 E665A-E670A 0.0722868140090669 M653A-M668A 0.0720309499133442 R661A-E670A 0.0714827308405379 V627A-Q640A 0.0707977433203628 D617A-P647A 0.0707498299301584 V624A-P632A 0.0702711557885178 A635A-V654A 0.0699378459731053 Y660A-W672A 0.0699147809279475 N621A-I643A 0.0698496739900214 N621A-V654A 0.0698266116782555 V624A-R658A 0.069461583481413 Y622A-K644A 0.0691300521715466 G623A-I643A 0.0679771177141051 G623A-V651A 0.0671834587554851 F625A-Y639A 0.0666931924351015 V636A-V651A 0.066625836832447 P632A-H638A 0.0662864393918445 A637A-L663A 0.0661644023716461 N621A-H638A 0.06608362237011 A637A-N655A 0.0660484867167916 R658A-G664A 0.0656520757133832 D614A-Q640A 0.0648076311045075 V624A-E633A 0.0647621423694251 D617A-V624A 0.0647452698285758 Q641A-G657A 0.0638866539171175 A637A-R661A 0.063645976279725 Y660A-E671A 0.062478950430755 L618A-P647A 0.0624483745782269 H638A-V654A 0.0620905009016832 P613A-Y622A 0.0614835136482066 L656A-S667A 0.0607843654738427 Q640A-Y660A 0.0605970874478672 G630A-R661A 0.0592727042746857 Q640A-V654A 0.0578953347389246 T629A-Y639A 0.0577535231379256 P647A-L656A 0.0570263336920771 G630A-R658A 0.0565424330007582 L659A-S667A 0.0556795210508083 V627A-R661A 0.0543855723104809 E633A-G664A 0.0542229148967513 E633A-G657A 0.0540804781486566 I643A-G657A 0.0534220042163569 M653A-E670A 0.0526133522765222 H619A-L656A 0.05197023008276 N620A-V654A 0.050748686183633 S648A-L656A 0.0504770799597036 V627A-G664A 0.050271256538459 N621A-N655A 0.0496278233991452 L618A-A637A 0.0495037911568641 V627A-M653A 0.048850299524668 D628A-L656A 0.0480335392219553 G664A-E670A 0.0478735096167866 G630A-H638A 0.0476497149072557 Y622A-N655A 0.0473631594012351 S615A-S648A 0.0454963139661362 N620A-T629A 0.0450363226747408 H619A-E633A 0.0446388606187048 H619A-V651A 0.0436456168638668 K634A-Q641A 0.0432945648604131 L618A-H649A 0.0430357355790996 R661A-S667A 0.0420309055694577 A642A-G657A 0.0418100008340363 L631A-N655A 0.0415215510769542 D628A-R658A 0.040876711016717 Q640A-H650A 0.04045355977362 S616A-G623A 0.0391236185234174 P647A-G657A 0.0391007660748919 V624A-A642A 0.0384741889299924 H619A-L659A 0.0384708532662219 G623A-L631A 0.0383884949448809 R658A-Y673A 0.0376791012647302 N621A-G630A 0.0373178148916344 S615A-G623A 0.0368238442633771 P632A-G664A 0.0365460819385768 R661A-Y673A 0.0357812037836027 A652A-Y660A 0.0351286925526813 H619A-S648A 0.0343266235866335 V636A-K644A 0.0342288453335587 S646A-N655A 0.0329073155944339 Y622A-Q640A 0.0320460868375503 S648A-N655A 0.0307181386586644 R658A-E671A 0.0304598017573809 S615A-Y639A 0.0301439188190278 L645A-A652A 0.0298879452105583 L618A-Q640A 0.0297802996625078 L626A-Q641A 0.0295998319365953 G664A-Y673A 0.0289365751855186 L645A-L656A 0.0287018222318007 G623A-H650A 0.028230507952832 V627A-Y660A 0.0279785829061101 V624A-A637A 0.0275131248491931 F625A-N655A 0.0269092230934074 D614A-I643A 0.0263307751251292 A635A-L663A 0.0261361829574787 D617A-A635A 0.0258536203031596 H649A-R658A 0.0254866096779208 Y622A-H649A 0.0251807242225087 V636A-S667A 0.0247494612622292 V636A-G664A 0.024079758931602 S615A-K644A 0.0238024182614865 N621A-Y639A 0.0227008407112387 V636A-N666A 0.0224038990802438 Y622A-A652A 0.0222850536010979 L631A-G664A 0.0205333142203186 L645A-H650A 0.0202460587492553 G630A-A637A 0.0196997406805753 Q640A-V651A 0.0196477403650526 S616A-M653A 0.0193171214254995 A637A-S646A 0.0187513638033696 N620A-S648A 0.0186762999836407 V654A-E671A 0.0181284501850853 Y639A-R658A 0.016339165972092 I643A-R658A 0.0161459562423727 E633A-H638A 0.015960025782119 N655A-Y660A 0.0158698675808087 N620A-H650A 0.0156643923194681 L663A-W672A 0.0152559642074666 G623A-K644A 0.0146784715872468 K634A-G657A 0.014369699754972 P613A-I643A 0.0136452790442654 L656A-G664A 0.0120063195197049 K634A-I643A 0.0113989194160489 M653A-A669A 0.0112775833356733 N621A-V636A 0.010940937662435 N620A-D628A 0.00946660389935072 V627A-A652A 0.00925084874349802 D614A-S648A 0.00909357465783858 P632A-A652A 0.00831782201257536 L631A-G657A 0.00755949714850201 L626A-Y660A 0.00672332301655842 S648A-G657A 0.00655779361338915 T629A-L656A 0.00380091154958606 V624A-I643A 0.00359296769624429 A637A-M653A 0.00340565161283157 F625A-L656A 0.00316634860804221 S662A-S667A 0.00223237296955203 V654A-L663A 0.00202258196522287 P647A-V654A 0.000913802384198359 V627A-Q641A 0.00075412654441398 V636A-Q641A 0.000567567759389043 A635A-Q640A -0.00123504275443231 V624A-V654A -0.0023240158419835 A637A-V651A -0.00242423820647719 L618A-S648A -0.00298567391219051 A637A-L656A -0.00320210670095245 T629A-L663A -0.00348586994578026 V627A-L663A -0.00526216537631363 S646A-A652A -0.00551744761198081 H619A-S646A -0.00593519816744958 Q641A-L659A -0.00665750762591522 H619A-V624A -0.00747016045744109 R658A-N666A -0.00749755732840018 P613A-G623A -0.00801867860489658 Q640A-L659A -0.00830180412712789 V636A-V654A -0.0100561571703484 N611A-Y622A -0.010171149497562 D614A-G623A -0.0105091035458185 H650A-G657A -0.011057521824303 L656A-A669A -0.0114876375820128 K634A-R658A -0.0119292558741542 A652A-W672A -0.012510335486529 V624A-H638A -0.0126494948895212 Y639A-W672A -0.0127091813521163 L659A-E665A -0.0127591036725194 D617A-Q640A -0.0130666191184554 G623A-S662A -0.0133394346410474 D617A-L645A -0.0135014232639046 H619A-L631A -0.0142568271242878 S662A-Y673A -0.0147016257387689 P613A-H619A -0.0152955065035116 T629A-V636A -0.0153448541351278 P632A-R661A -0.0153534312378643 G623A-S646A -0.0158650151732682 M653A-E665A -0.0163127985095546 A637A-G657A -0.016728176975386 H649A-V654A -0.0168366911862117 K634A-E665A -0.0172119193764657 S615A-Q640A -0.0178496136919 P632A-M653A -0.0183623510847348 N620A-Y639A -0.0192458918592102 I643A-L656A -0.0195507474822105 V636A-P647A 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