[Wed Aug 24 17:27:07 2016] >Input file: TM4XK8ATD.pdb >TM segments: A77-96_A167-186_A198-218_A305-327_A354-373_A397-415_A439-460_A542-561_A594-613_A680-697_A727-747_B46-64_B138-156_B172-193_B276-291_B333-351_B371-390_B418-439_B517-538_B573-591_B651-668_B702-722_G2-23_G68-88_F159-178_I7-28_H79-116_J7-29_L44-64_L81-100_L132-151_175-97_1122-144_1180-200_391-112_3149-168_3217-238_291-113_2141-161_2206-228_491-115_4138-157_4200-221 MAIDEN score = -462.7845 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 ----------- ---------------- L46L-K134L 10 R318A-G324A 9.97660730729416 A363A-I407A 2.46074630257636 S180B-L285B 1.38496500555286 I8G-A82G 1.3377226347858 I50L-F139L 1.21555310094209 C801-R1851 1.20235162492768 L338B-I382B 1.19594629219881 L362A-I407A 1.18783584713149 E200A-I327A 1.12294708019924 C801-E1801 1.11891023021817 I665B-L693A 1.10448971491826 M1042-A2182 1.06545936763074 F79A-H185A 1.06230916077623 L422B-L532B 1.04101570012733 L16G-W74G 1.03157781092714 I523B-V590B 1.01701160430109 M1043-A2283 1.00836237535627 E954-I2054 0.991225285788767 L429B-L525B 0.981979075407251 I419B-L532B 0.969875191990019 F603A-V735A 0.958704346680481 E962-I2122 0.954953435481505 I370A-H399A 0.943373857623969 F387B-V535B 0.941279108680282 L46L-E90H 0.926890235841725 K134L-A94H 0.924150239778591 Y372B-T591B 0.916888059351024 F599A-V735A 0.902499514476953 W912-I1612 0.898470701351968 L46L-F135L 0.898165836693708 F1401-V22G 0.898135013104356 A1032-M2192 0.886758810739769 F692A-V733A 0.886643036730456 A388B-W573B 0.883912748318234 A522B-W589B 0.882992301575174 L59B-L143B 0.877336993881332 F83A-M178A 0.876623708039197 K134L-K98H 0.874009988295667 K536B-A575B 0.868710699373822 L362A-L406A 0.863411511754915 L188B-L278B 0.861987274476331 F17G-V22G 0.860483458238537 F387B-L534B 0.848123732056876 W657B-F713B 0.84363847632742 V871-F1911 0.838300374208403 L91A-L172A 0.838021321857594 I8G-H79G 0.834120057749027 L446A-H550A 0.832764002011996 V52L-F139L 0.832364922313924 H791-L1881 0.832044572597737 F663B-V708B 0.831698472127066 W667B-A705B 0.827845232812774 V61L-Y151L 0.826076155956531 F652B-T720B 0.820794171364205 L453A-H543A 0.820298969771903 V61L-V147L 0.819863748780315 I8G-Y83G 0.812362125999947 L964-I2054 0.810306232056438 L771-I1811 0.810094684867617 W1241-I1301 0.808545132574202 L972-I2122 0.807020854020196 L18G-F23G 0.802643739436172 I443A-L554A 0.796717293364507 F135L-T97H 0.793243504988374 L446A-L554A 0.780450710879384 A48B-W154B 0.778187844988376 V88L-I144L 0.77652972407596 T659B-F713B 0.77563541150792 F381B-V580B 0.771061629124643 L664B-F694A 0.761284364461056 H1431-F23G 0.759732968271281 D574B-V703B 0.757217145409827 W667B-I702B 0.754934659444209 M1034-A2114 0.750017088677263 I370A-M400A 0.74727233271627 I555A-H597A 0.742705691101505 V685A-Y738A 0.741977144415085 Y317A-I327A 0.739646880287958 L11I-F16I 0.734930737877074 K134L-F96H 0.730420672460514 V89L-F140L 0.728558707447879 V656B-F713B 0.725863592192083 T384B-F576B 0.72464648544572 T369A-I402A 0.723532859161486 C801-L1881 0.722753388568848 L93L-L103H 0.720791402904534 C450A-V551A 0.719583200632615 I665B-F694A 0.71812551141111 L179B-F284B 0.714818646530578 G366A-I402A 0.714595303365833 L534B-F576B 0.714143978047649 G212A-I308A 0.711576178461057 V88L-F140L 0.710121534455275 I57B-S146B 0.709618214410898 F688A-Y738A 0.706726344049962 T384B-V580B 0.703117206785378 G212A-F310A 0.698645464966023 P10I-L15I 0.698634834148338 V1064-F2154 0.695220883179576 T136L-F96H 0.693693793887055 P881-P931 0.690961960038241 F58B-L143B 0.6893753656459 L207A-L311A 0.688211456019475 F51B-L150B 0.687905144179024 F83A-L179A 0.687523420299044 L179B-L285B 0.686120553317071 L203A-Y317A 0.685428666744536 L207A-F310A 0.68537593294896 L16G-V71G 0.685170331433166 Y577B-L707B 0.683232415237638 G380B-I587B 0.680684584973025 L95L-T136L 0.67973208472681 V921-G971 0.679177829202176 S81L-I148L 0.677755031037416 L175B-Y291B 0.677417476975529 A412A-W595A 0.676470903183652 Y377B-L584B 0.676181136104093 A831-F1911 0.676080866743298 F64L-A83L 0.675531267872119 D596A-V728A 0.675041633611706 A1024-F2154 0.674280255730878 F458A-I544A 0.672177983571026 L47L-Y81H 0.668738891834598 V52L-G142L 0.668441850253959 L690A-Y738A 0.667947955033921 A682A-L740A 0.667509817142933 A411A-L557A 0.666646337517196 L8J-V13J 0.66664563499359 L664B-A705B 0.665619037453594 A55B-L145B 0.665051201562418 L59B-L142B 0.663962878934123 F51B-A152B 0.663635446476668 L211A-A307A 0.662733815463559 F64L-A84L 0.662524136823928 L26I-I97L 0.662056822592176 L93L-L106H 0.661746609906359 G184B-F284B 0.657478138725105 L47L-E90H 0.65468790421064 Y577B-L710B 0.653165534712454 Y437B-L518B 0.652478148493235 M841-L1881 0.652457796308627 G660B-V708B 0.649272356071594 G660B-F713B 0.648555501405271 F83A-A181A 0.647467000360238 A55B-F147B 0.647248298443821 A363A-V408A 0.643252860558746 G559A-V598A 0.642593138508516 G994-I2054 0.641562120733878 L362A-A410A 0.641172689621783 G181B-S186B 0.640800068075733 S15G-G75G 0.638348864217992 I100L-R99H 0.635706244669208 Y606A-L739A 0.635105689239267 G49L-F139L 0.634984487587451 L16G-D70G 0.632998274077927 I523B-W589B 0.631109082728797 V89L-G110H 0.631006530960692 P10I-L114H 0.629329142389268 F79A-G182A 0.625096527602291 A22I-I97L 0.623681547849439 G537B-F576B 0.619472069060003 F684A-G741A 0.619190330488572 G366A-F405A 0.617386355376839 L556A-V598A 0.616844609640213 D198A-H205A 0.61672281302705 N204A-A313A 0.616405192440684 A388B-F576B 0.615924709793382 V973-G2253 0.615189679304592 F652B-G716B 0.61419983996492 G53L-F141L 0.613789897196133 F47B-G153B 0.613061756520921 P45L-F135L 0.610978705362315 V519B-W589B 0.610643392503804 C450A-L554A 0.609446722112242 L338B-A386B 0.609050020031523 V551A-W604A 0.606386341903278 A349B-L371B 0.605434059926438 W657B-V715B 0.603136492476328 F90A-L172A 0.601827498819286 F58B-L145B 0.600138340530162 L211A-F310A 0.59830638357742 L334B-A386B 0.598078478831044 G696A-I727A 0.595597165847689 K558A-H597A 0.590494279735133 F141L-A93H 0.589258493505131 F83A-G182A 0.589065117943397 A861-F1911 0.584202648299222 F183B-F284B 0.583335381906159 L336B-A386B 0.582113177953263 F47B-H156B 0.581882139099562 R697A-G730A 0.579590521327295 A208A-I312A 0.579053958161786 F183B-A281B 0.574852064482641 A1033-M2293 0.574539002673376 L556A-H597A 0.573900203331611 L54B-S146B 0.571381723173734 S87A-G176A 0.571026173404618 P10I-A115H 0.570130901988457 Y7J-V13J 0.567847715577581 I419B-V535B 0.567356182238468 A339B-F387B 0.567133720087114 L86A-A175A 0.566988316744172 F688A-H737A 0.566754627972411 G99L-R99H 0.564470822130656 F79A-Y186A 0.564271266975943 L584B-Y717B 0.563842181526713 F661B-F713B 0.563319201270206 F90A-F174A 0.5588151579062 I50L-F141L 0.558009346725329 A1024-M2124 0.557790398355971 V61L-A83L 0.557101197867304 N361A-A410A 0.55377363568036 E963-V2223 0.552517534688229 F105H-G110H 0.552221201700275 L11I-A115H 0.551916602156146 L93A-A168A 0.547925446028877 A133L-T97H 0.547584880245029 S610A-I743A 0.546334636748894 H545A-V611A 0.541155848657541 L188B-F282B 0.539779385924444 I533B-F576B 0.537070849866746 G52B-S149B 0.535815908717901 I555A-L600A 0.531795766899414 A682A-T745A 0.531015307513535 F405A-L602A 0.530781358647201 P95H-L102H 0.526747316422092 F89H-A94H 0.525468558360811 S44L-S79H 0.522875163034177 R174B-L179B 0.522604314836603 V449A-H550A 0.521951121187146 V343B-A379B 0.521684656341868 Y377B-I587B 0.520798895184661 A133L-F96H 0.52037328911773 V1064-A2144 0.51852849283245 V871-A1901 0.516327499610706 V19I-I107H 0.515983493330573 A411A-V560A 0.513975591962929 A412A-V560A 0.511138321149262 L216A-A307A 0.510013977069226 S87A-M178A 0.509709859834722 L86A-M178A 0.509344148742036 F599A-A732A 0.509219044339075 A415A-W595A 0.508988940132284 L8J-V14J 0.508373306243557 L429B-H521B 0.506970807069104 F455A-L460A 0.506276759720079 L47L-F135L 0.506008600755115 S87A-F174A 0.505110841562238 T12G-I77G 0.504107220183265 F603A-L739A 0.503636194738754 Y58L-W149L 0.502080162942847 L429B-A524B 0.499770807820359 M316A-H325A 0.499748464177358 F663B-R706B 0.499011562012169 F663B-G709B 0.49817817163551 G404A-I609A 0.496173261942785 M841-N1831 0.49377647766069 N984-M2124 0.492950329787169 N447A-V551A 0.492778362952166 V408A-L602A 0.490061724886135 A658B-F713B 0.489528686987218 F387B-A538B 0.489521908866085 F58B-S146B 0.488701169370941 F661B-H712B 0.486830966390489 A411A-V598A 0.482181987088398 T12G-A82G 0.482058119494812 H1431-V22G 0.481401619967476 L341B-I382B 0.479778745894524 N993-M2293 0.478431819209519 S666B-L600A 0.478345824593076 F96H-L101H 0.477740992405789 S80A-W183A 0.477306316549932 L584B-S714B 0.475857636289239 L578B-S695A 0.472258788168632 S87A-L177A 0.471935662564711 A388B-L534B 0.47170819027336 V89L-L106H 0.470595704016023 L46L-F89H 0.470145704186468 Q357A-L362A 0.469211643378268 E51L-F139L 0.469000362540554 S187B-I280B 0.468808181415538 L54L-I144L 0.468561209972603 L338B-M383B 0.467219070073684 L26I-I100L 0.466851146642738 F58B-L142B 0.466437789528206 G660B-V711B 0.465778147739185 L54L-F139L 0.465399586641557 T384B-M583B 0.465250934472621 I533B-L578B 0.463819250468282 L47L-F89H 0.463487876111095 S457A-F547A 0.461365165865833 H177B-L182B 0.461113487218034 S1002-M2192 0.460741751021174 T345B-I378B 0.459379527971181 A373A-T397A 0.457476292537947 Y577B-R706B 0.457136487099756 E51L-P80H 0.456678633988166 A687A-Y738A 0.455993683237609 G342B-I378B 0.448801598649229 E51L-T136L 0.448348915474558 F25I-I97L 0.445098712521403 L365A-L406A 0.444188676304499 T659B-G709B 0.444002499788945 I665B-R706B 0.442780130129258 T61B-A139B 0.441650089386239 F1494-I1544 0.440831252684244 A339B-I382B 0.440518222805869 G137L-K98H 0.440293388667381 A208A-H315A 0.43846056844145 G526B-W582B 0.438408109060992 F599A-R731A 0.437606471284837 G57L-I144L 0.437521898727658 A48B-H156B 0.437386104585968 H992-N2142 0.437280760482633 T345B-Q376B 0.432961589228549 G138L-F96H 0.432150315773065 A1073-M2293 0.431390817447232 L964-R2094 0.429062726376079 R811-L1881 0.428213818259852 S180B-G287B 0.428199036602035 I418B-K536B 0.427978802125335 T97H-L102H 0.427441609127027 G1003-V2223 0.425145546411557 Y317A-I323A 0.423635118866193 F663B-A705B 0.42330883196838 P4G-L86G 0.42278248193489 H413A-H597A 0.422231407765271 A208A-L311A 0.420968902637054 S180B-I286B 0.418523602786104 D440A-H445A 0.416410064198642 H456A-H542A 0.416134900878728 W401A-I609A 0.415885918819542 W190B-H277B 0.415381300703878 L358A-A410A 0.41389806831329 L453A-F547A 0.413516133784928 L188B-H277B 0.412337385407625 F652B-F719B 0.411998118852934 S359A-G409A 0.411570689522756 C801-N1831 0.409966226456559 F692A-R731A 0.409586875422853 R706B-V711B 0.408653605563358 W657B-S714B 0.408267353167374 F96H-L102H 0.406105921752144 K98H-K104H 0.405500650881776 F692A-G734A 0.402731016739343 H992-M2232 0.402629616343085 S426B-L532B 0.401528743831575 Q350B-H375B 0.40017190922934 L446A-V551A 0.398442976467346 H205A-L210A 0.397996789411819 H177B-S186B 0.397986616662605 S94A-T167A 0.395992119311936 R697A-I727A 0.394802812834551 H27I-C94L 0.394184605052596 G212A-I306A 0.391562584246966 H543A-S608A 0.390810002302944 S201A-Y317A 0.390006311847664 H375B-M383B 0.38909825514179 L213A-W218A 0.388554703504628 L429B-A522B 0.387985268678784 E51L-G142L 0.387524208225328 Y58L-G143L 0.387152027654906 G653B-V715B 0.38677769095611 H56L-S92L 0.386563419819123 H276B-H351B 0.385275495770575 W686A-V735A 0.383856328584605 A1072-M2192 0.383189596340357 W92A-M178A 0.383051910001565 R1013-V2223 0.383004147262321 S92L-L106H 0.382830371661091 M1034-N2074 0.380375466154943 R668B-A705B 0.380345010438283 T384B-A579B 0.380291264005543 C94L-K98H 0.379302768639394 L527B-T586B 0.378798680071951 K77A-H82A 0.37854742318686 K134L-E90H 0.377531227781389 A1032-A2252 0.377146435261758 V973-E2213 0.376984333952509 R48L-F135L 0.376580452556897 F140L-F96H 0.37537809538289 H456A-H545A 0.37482146118913 F64L-S81L 0.374011419970467 S423B-T529B 0.372923607788794 Q376B-Y721B 0.372211025446672 V553A-W604A 0.371605420778754 K77A-Q85A 0.371088041722751 S62B-G138B 0.370899764570789 G138L-T97H 0.370014924727527 I50L-F140L 0.369596464324061 L46L-T136L 0.369438475299461 I533B-A575B 0.369435167938437 A1082-A2252 0.36923774171421 L655B-G716B 0.367788537307745 H178B-S187B 0.366859594906397 L91A-A171A 0.365373372497472 H542A-H550A 0.364852802413678 M1034-M2124 0.364808638046955 A208A-L213A 0.364580050945018 L47L-S86H 0.364159191531629 M400A-W747A 0.364140859175528 L213A-A307A 0.363793497553487 V656B-G716B 0.363773132029623 L46L-G137L 0.36348125359484 L358A-H413A 0.363128789834329 G409A-V598A 0.361561639050619 L453A-A546A 0.361177456842556 H206A-L211A 0.360793554719915 S420B-H528B 0.360729569448274 A363A-L406A 0.360405460949764 H1504-R1554 0.359555974627489 H398A-S610A 0.35845220572439 L693A-G730A 0.358409720585762 L422B-T531B 0.357288886291227 L527B-M583B 0.356774460682135 L93A-A171A 0.35666796002803 V560A-W595A 0.356320821442959 I50L-G142L 0.355613339655723 H683A-G742A 0.355410411065245 L2164-Q2214 0.354925147309164 S1002-A2182 0.354656725108758 V519B-V590B 0.354579394299831 V9I-L14I 0.354146327582321 G49L-K134L 0.353280003890613 L680A-T745A 0.35310558060931 V553A-K558A 0.352283435017544 L664B-L710B 0.35194118793904 I50L-G138L 0.351925113832406 A133L-A93H 0.351404359379094 C94L-K134L 0.350712428275153 K104H-G109H 0.349050635834615 H520B-H528B 0.348783185498387 S201A-R318A 0.348641670192434 G1063-I2323 0.34863248144319 Q1441-V22G 0.347912478535415 P881-N1831 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