[Wed Aug 24 17:42:33 2016] >Input file: TM1XIOATD.pdb >TM segments: A3-24_A38-56_A68-87_A102-122_A126-146_A168-190_A196-216 MAIDEN score = -84.7126 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 ----------- ---------------- A119A-R128A 5.99032516555462 P81A-M106A 2.1406925835161 Y11A-C203A 1.71617215514146 M77A-I110A 1.49344187732562 M77A-I113A 1.40868490285145 M15A-P44A 1.34366034603451 L105A-I142A 1.25671562604022 L85A-I102A 1.22456777386296 I185A-F190A 1.15253639845459 A19A-M41A 1.08823116094957 L83A-K210A 1.05039560661069 Y11A-F207A 1.01526702950959 Y171A-F213A 0.98235092080712 W23A-M41A 0.894279346361425 E4A-A55A 0.885202819480238 Y73A-I113A 0.854962023095891 W9A-M52A 0.836424460062022 W23A-L38A 0.822784910554357 V112A-F139A 0.809147143095196 V39A-L82A 0.736633032366429 I184A-F190A 0.728281256705975 I118A-W131A 0.72049373956119 L84A-L105A 0.709978548857714 Y179A-L205A 0.692163663639785 F22A-A40A 0.681979776896876 L6A-A55A 0.664697154897011 L175A-L205A 0.658269663949438 M54A-A71A 0.636511566000971 L82A-M106A 0.630444307619971 A40A-V211A 0.626130140755445 I43A-L82A 0.620621654503006 G14A-F207A 0.620562375238375 T108A-I142A 0.61282907506807 H69A-D120A 0.601612693509119 F22A-M41A 0.593855013928088 G18A-P44A 0.59203523527127 F172A-F213A 0.591457050694942 P81A-L105A 0.58654927930212 W76A-I113A 0.583535901404988 P187A-D198A 0.580837126634744 Y73A-L117A 0.579018872690129 T16A-I45A 0.577595218462175 Y179A-F202A 0.555794747517265 I146A-V169A 0.554091032634355 Y51A-A71A 0.552019415995584 A19A-F42A 0.551146079098916 Y11A-G48A 0.544286970766117 D198A-C203A 0.531011536836841 L175A-F208A 0.52646859975089 W9A-A55A 0.525388435920949 I113A-G135A 0.524639847312706 L168A-F213A 0.520368357014472 A119A-V127A 0.519379240503781 E4A-F200A 0.519292344901631 F208A-F213A 0.515499962581881 H69A-D198A 0.505971039521857 V182A-F202A 0.498844999518637 L84A-M106A 0.498014795347431 G116A-W131A 0.494537255568144 I184A-G189A 0.493803017113311 A19A-V211A 0.490334979899774 I118A-R128A 0.490222302347927 Y11A-Y51A 0.487072179026221 T80A-I110A 0.477379856895021 M15A-K210A 0.476013291026255 L84A-Q109A 0.473887742156132 F172A-S209A 0.4669650415364 T108A-F139A 0.461736899134838 W46A-V78A 0.460657367965728 Y11A-L204A 0.44741385447481 M77A-T114A 0.445007751052615 W9A-Y51A 0.440170722662132 A119A-W131A 0.437796065684003 M15A-S47A 0.429101183782481 H8A-C203A 0.428370471995057 L84A-I102A 0.427212089635326 S5A-M54A 0.426744107546992 L7A-F200A 0.423102665930004 L121A-R128A 0.420336532108529 H69A-D75A 0.408380361764704 I43A-L83A 0.408108604081269 L85A-M106A 0.405701749565709 A40A-K210A 0.402596006847224 S47A-T79A 0.398179426911917 W46A-M54A 0.397939331796695 L143A-T173A 0.397094454544592 T80A-Q109A 0.390855283062132 L20A-M41A 0.385355376942027 Q109A-I142A 0.384812645211648 Q109A-Y179A 0.383541427603237 V12A-M52A 0.376597812878604 P44A-V211A 0.371750719461317 D120A-Y129A 0.371401732858257 Y70A-D75A 0.371119369611004 S5A-H69A 0.370558780574072 F22A-F215A 0.368125935572133 L49A-D75A 0.367032196012156 L7A-T199A 0.364533172168043 W23A-P44A 0.363046633304532 S209A-S214A 0.36286211432159 V112A-Y129A 0.356056704679919 L105A-G145A 0.354750992356326 L87A-V169A 0.3530930618091 L168A-L216A 0.347931018019502 L175A-S209A 0.345624742431022 T80A-M106A 0.344853355144925 L3A-T196A 0.342590420539191 V12A-G48A 0.340154720228616 A119A-L130A 0.338551503931031 A50A-I74A 0.338366546900695 T108A-I141A 0.336460360990902 A40A-S86A 0.328590992109787 C137A-I184A 0.321449691062203 A13A-K210A 0.319886054553733 V182A-L201A 0.31584191181576 W176A-S209A 0.315075694072132 V112A-V136A 0.313935704980718 P44A-W76A 0.312019710677905 A40A-S209A 0.309568098199528 V39A-L83A 0.306615956033807 H69A-G116A 0.306087377900632 T16A-G48A 0.305888916222752 V112A-C134A 0.304873811830789 V112A-W131A 0.303175485615967 L7A-C203A 0.303042565250387 H69A-G186A 0.30028976924782 G48A-Y73A 0.300081387705104 D75A-M106A 0.299765785447909 G18A-S47A 0.296761020301388 I118A-C137A 0.295537910164436 Q109A-Y132A 0.29397767953389 L7A-A55A 0.293900008393251 W126A-W131A 0.293611990749835 A40A-L83A 0.293332875709331 A40A-S47A 0.291198178463926 T173A-P206A 0.290561403954415 F207A-G212A 0.289619907291875 S122A-G189A 0.287929818321075 P81A-S107A 0.286217983714075 M15A-F207A 0.285195956177143 L83A-G212A 0.283719342311228 V12A-S47A 0.283288104454543 T114A-C137A 0.2832175300502 Y73A-T114A 0.282960417054648 Y51A-D75A 0.282114378479893 C137A-I146A 0.281107221424637 Y179A-P187A 0.2804455482326 L87A-G145A 0.27856382680686 L205A-K210A 0.278396496511529 H21A-K210A 0.277908422707249 T114A-P180A 0.277598888769095 P81A-S209A 0.276910400953297 M77A-D120A 0.276608063374867 A13A-A55A 0.276055497792512 Y70A-P187A 0.273672791379262 V112A-C137A 0.273215521101514 D75A-V112A 0.272016699411122 V12A-L49A 0.270134455859386 M54A-D198A 0.269687216992484 W144A-T170A 0.266817172297389 G48A-C203A 0.266332001226735 Y129A-P187A 0.26529661151325 A55A-R72A 0.26332815857793 I74A-C203A 0.262164067125889 C134A-I181A 0.261673924292268 I17A-C203A 0.257657491498227 D120A-V182A 0.257280846747508 W126A-G189A 0.252672851886703 F22A-G212A 0.251938921770825 G48A-W76A 0.250444181403752 M41A-D75A 0.250165392182605 H21A-P44A 0.250112683970033 P81A-I110A 0.24932854722991 V111A-G135A 0.247767905143429 Y132A-P187A 0.245374101150514 G135A-W183A 0.245104514926898 T79A-W176A 0.24373379573061 M15A-I45A 0.243325089563044 Y51A-C203A 0.242136578283942 L87A-T170A 0.241611508233543 G178A-F208A 0.239360242241193 V39A-S86A 0.23864526243725 G178A-L205A 0.236859649576833 S115A-L130A 0.236572783718472 S24A-A40A 0.235553094180917 V111A-A138A 0.235424330684502 C137A-P180A 0.235348309203078 I45A-C203A 0.234432748966192 M15A-G48A 0.233723495917161 D120A-D198A 0.233141603478752 P44A-L205A 0.232446732796166 H69A-S188A 0.230686840655405 W76A-I110A 0.230322006003476 L87A-T173A 0.229799068967101 G186A-F200A 0.229461266117425 Y171A-F207A 0.228617635517269 S86A-S107A 0.226909286888853 D120A-Y132A 0.226391948736215 H8A-P206A 0.225509221502725 C134A-I177A 0.224782904093578 L84A-T173A 0.22356237468482 V136A-P180A 0.221319931049637 Y11A-G212A 0.221033181436455 H8A-L201A 0.220430803818564 H8A-T16A 0.218013022137131 L121A-S188A 0.217276228827309 P81A-T108A 0.216935960442113 C137A-I177A 0.216432562522519 P81A-L143A 0.215761303866413 I43A-V78A 0.215594790431142 Y73A-P180A 0.214921775303104 A50A-K210A 0.214852876369205 M41A-V78A 0.214365614072226 I43A-C203A 0.21353892816024 Q109A-A138A 0.213474262310649 S5A-A50A 0.212879173375458 W183A-T196A 0.211316025304903 Y51A-V78A 0.210668338615889 H69A-P187A 0.209847774764299 V169A-S209A 0.20962442929026 T108A-G116A 0.208106873581789 Q109A-C134A 0.206540587330517 L143A-V169A 0.205952204079526 V174A-F213A 0.205237378197821 W46A-T80A 0.203472832807084 I142A-V169A 0.203093387171068 M106A-L140A 0.202781569059066 L49A-M77A 0.202199163132045 A68A-D198A 0.202145193366832 A19A-A40A 0.202063333523477 W76A-T108A 0.20121335198943 I110A-C134A 0.201001119899891 G18A-S209A 0.200266053347357 Y171A-P206A 0.199869422847452 W183A-I197A 0.199833382822578 T16A-G212A 0.199139937525048 T80A-G103A 0.196868138861827 L6A-T196A 0.195950968346774 G14A-V211A 0.194070827248318 W176A-C203A 0.191362229818796 A55A-T196A 0.189139834592084 T79A-T114A 0.188616019272192 M106A-S115A 0.188115358931067 P206A-V211A 0.187643752690675 S47A-R72A 0.187307118149891 M15A-V211A 0.187047101047367 M77A-S209A 0.186816758875631 A53A-A71A 0.186684462910797 T80A-A138A 0.184670427237506 A19A-G212A 0.183780084911629 C137A-W176A 0.18364859496624 P180A-L201A 0.182964131822946 M77A-G135A 0.182590452901957 T80A-F139A 0.182180510041637 C134A-P180A 0.182132482101435 A53A-D75A 0.180305554466582 H21A-M41A 0.180133587455709 V12A-I56A 0.179845039348963 W76A-Y179A 0.179829946993038 I181A-T199A 0.178985572611245 W131A-P180A 0.178717605402145 D75A-T114A 0.178477393836654 S47A-Y70A 0.178346728136213 E4A-W9A 0.177934934308363 A53A-I74A 0.177598554161769 T108A-C134A 0.177306743353236 Y129A-G186A 0.177010836677416 Y70A-W76A 0.176774057564491 P81A-S115A 0.17633244488179 A19A-F207A 0.1745629486349 L168A-K210A 0.1734070798207 I45A-T80A 0.173112713111749 T80A-I146A 0.173098014146039 S47A-L204A 0.172283549484742 Y73A-G135A 0.172266322250977 Y132A-G186A 0.172205347554382 R128A-W183A 0.172183862082305 R72A-W183A 0.172154035782663 T108A-W144A 0.171631820477091 I184A-I197A 0.167577055211089 D198A-P206A 0.16753116521087 S115A-C134A 0.166232365216107 Q109A-C137A 0.16611152213257 Y73A-S188A 0.165811387772445 W9A-T199A 0.16540778773447 W131A-G189A 0.164974403098364 I177A-I185A 0.164315456577878 M15A-S24A 0.162925981421978 L85A-K210A 0.161211239734929 W46A-D75A 0.160731613004368 Y51A-R72A 0.1602227319659 E4A-A53A 0.158882856356916 W76A-L82A 0.158041215293068 F22A-S86A 0.157933538035828 I142A-T170A 0.157762433486943 I110A-C137A 0.157338268061879 W76A-W183A 0.156724149248785 C137A-Y179A 0.156432610853979 S86A-V169A 0.155854916008439 S47A-W76A 0.154800596493723 A13A-S47A 0.15473011818125 L117A-C134A 0.154347291377809 R128A-P180A 0.152983811364889 F172A-F208A 0.152574466089673 A71A-T114A 0.152267875926317 T80A-P206A 0.152207138323826 L87A-W176A 0.151762542597575 L143A-W176A 0.151437359246175 V174A-I181A 0.151317218649734 W23A-S214A 0.151125852617047 W9A-S47A 0.150723003559574 M106A-W144A 0.150719588234312 I10A-A50A 0.150058040679803 I10A-A53A 0.150019581683329 A19A-I45A 0.149778875807649 W46A-P206A 0.149542851136326 F42A-F213A 0.149240679626495 I184A-T199A 0.149224468378433 I45A-I74A 0.148916884425647 D120A-W126A 0.14872300570411 T80A-F172A 0.148330458151332 I102A-I141A 0.14600666315395 F208A-F215A 0.144325795780072 G116A-I133A 0.144043025722988 T173A-K210A 0.14367926471821 I56A-Y70A 0.143086694393551 W23A-I45A 0.14277432042087 L49A-Y70A 0.142589281667603 Y11A-R72A 0.142421688268669 V136A-V182A 0.141074925023309 L175A-W183A 0.140566442990723 I133A-Y179A 0.14056432222003 S122A-C134A 0.140410301839149 I181A-L204A 0.140213948995817 Y132A-I177A 0.140204826108627 I118A-V127A 0.14018831816243 L117A-Y179A 0.139488527437725 T79A-T108A 0.139414198318427 I181A-I197A 0.139187818711281 I142A-I177A 0.13870261081714 S47A-H69A 0.138300362851842 I110A-L143A 0.137732878787219 P187A-T199A 0.137687074019425 G116A-G189A 0.137613705827285 H8A-K210A 0.137492125335266 L87A-S214A 0.13587873154937 H21A-F208A 0.134323928790571 Y11A-S209A 0.134086150047215 L84A-Y171A 0.133758967766965 W76A-S115A 0.133636322960106 S5A-C203A 0.133592558347437 P81A-P206A 0.133325636451353 Y73A-Y132A 0.132601493287474 S47A-P81A 0.13211123803035 D120A-P180A 0.131334168115214 G189A-D198A 0.130898544473176 I177A-L204A 0.130869894333054 F202A-K210A 0.129658016450044 L6A-L201A 0.128981738990172 L82A-I146A 0.12887134036119 Y171A-Y179A 0.128005753344852 V182A-L204A 0.127692554003201 L143A-P180A 0.127679279399736 I110A-Y132A 0.125646318414453 L87A-G212A 0.125523650475717 T170A-G178A 0.125501986282619 Y179A-I197A 0.125130977095097 V174A-V182A 0.1251299504606 I118A-G189A 0.1244656160969 M41A-L216A 0.124230757496392 Y11A-I43A 0.12420146450235 Y51A-Y70A 0.123761944742991 C203A-F208A 0.123733478193198 L38A-L87A 0.123690721236314 S24A-P44A 0.122964986359319 L121A-W183A 0.122858158312997 T173A-I181A 0.122839182853037 W183A-S188A 0.12273894508521 V127A-S188A 0.122514747129594 I146A-L175A 0.122120866645687 V136A-V174A 0.121843764548053 H21A-V39A 0.121840157625039 V169A-S214A 0.121780601436161 Q109A-I177A 0.121657875134197 L140A-P180A 0.121379495958673 G178A-G212A 0.12090236368701 L143A-Y179A 0.119793516792266 F139A-G178A 0.119754305357249 R72A-F207A 0.11884629978947 T80A-G116A 0.118763913221152 I74A-Q109A 0.118758073846644 V78A-P206A 0.118616151749721 S107A-C137A 0.118501355306005 H8A-F208A 0.118056418755875 L49A-C203A 0.117864658923325 A13A-A53A 0.117783180772993 H69A-W76A 0.117765067771819 H69A-T196A 0.117012836465387 A68A-L201A 0.11618961245514 Q109A-F139A 0.116169113654061 R72A-T80A 0.116152858966791 S188A-T196A 0.116006526355282 A68A-G189A 0.115953380994134 A71A-S188A 0.115929418965791 S86A-L105A 0.115716496796149 G178A-G186A 0.115060289348852 P206A-S214A 0.114785125430943 A71A-G116A 0.114490671154612 L83A-L168A 0.114430234245998 L38A-L85A 0.114356998428332 L83A-V169A 0.114000875964576 G18A-M41A 0.113984768610929 S24A-L38A 0.113677943500025 W46A-W76A 0.113282519345627 M15A-V39A 0.112760453043711 H8A-Y70A 0.112687790310082 L84A-L168A 0.112327650422928 L175A-S214A 0.112255284438721 L83A-L143A 0.112246407559474 V78A-I110A 0.112137450434735 A53A-A68A 0.111890233983078 L3A-L201A 0.111773713606762 L143A-L168A 0.111713005438831 G116A-V127A 0.111693612338851 L140A-Y179A 0.111484303779397 R72A-F200A 0.111105429411089 S122A-V127A 0.111058301332705 T80A-I177A 0.111030548676452 L175A-L216A 0.109899595196451 T173A-V182A 0.109466449031628 V78A-G103A 0.109437205067922 M77A-L85A 0.109102899502539 R128A-I133A 0.10889429388253 I74A-L121A 0.108783713316829 V182A-S188A 0.108352122003232 W46A-R72A 0.108309945085101 S5A-I56A 0.108162988992578 V112A-G135A 0.108150887057464 L140A-I181A 0.108111119821413 A50A-M77A 0.108077970329013 A68A-S122A 0.107958680992303 L84A-L175A 0.10719145820123 S47A-L82A 0.106804213771845 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