[Wed Aug 24 18:53:19 2016] >Input file: TM2X9KATD.pdb >TM segments: A6-15_A70-78_A84-91_A113-120_A127-135_A151-159_A166-174_A191-199_A204-214_A234-244_A246-257 MAIDEN score = -39.7336 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 ----------- ---------------- K113A-Y135A 3.84859295208958 L132A-T153A 2.89662619284069 M134A-V151A 2.09683391554041 I193A-I212A 1.9011360115 E192A-L214A 1.29634931980532 P198A-T207A 1.26315424897841 L199A-V206A 1.24512279020434 F77A-F85A 1.11290386285959 K113A-M134A 1.05040417851291 Y171A-I193A 1.02284974198057 T210A-V236A 1.00633152571187 F128A-L157A 0.979122533151928 L173A-Q191A 0.945490176623704 I212A-N234A 0.904609485852555 I114A-M134A 0.902552323885286 E154A-Y172A 0.901927592168518 P116A-L132A 0.881182869122737 L78A-F85A 0.86637559160787 F85A-W118A 0.826732407855336 V120A-F128A 0.826639469517209 L78A-S84A 0.813325013938444 L197A-P208A 0.797456380341869 T88A-A115A 0.796319274604516 F128A-T155A 0.793197356099888 I193A-L214A 0.787684646282255 F239A-L252A 0.718252317992795 T153A-Y171A 0.716959425912716 I114A-Y135A 0.695460876955369 L167A-P198A 0.683218247267289 A115A-W131A 0.673153565200687 V206A-F239A 0.661228050259481 R168A-P198A 0.659069201030226 I212A-R235A 0.654147693750735 V236A-F256A 0.649697820556497 F91A-K113A 0.639074430424518 E72A-F91A 0.620861048016483 H74A-L87A 0.609143737493641 W118A-W131A 0.605578927465625 F239A-Y254A 0.582459772673849 P208A-F239A 0.581093726861703 T155A-N170A 0.568772050188931 A166A-L199A 0.564508893951357 V169A-I193A 0.561761917609012 L157A-V169A 0.529916803998351 Y209A-L238A 0.523867962825658 D117A-W131A 0.517861432713688 F239A-S251A 0.512370435664327 F77A-L87A 0.508723437521063 L71A-F91A 0.482540835308155 F85A-P116A 0.476200782452386 N129A-Q158A 0.469156707849177 L87A-I114A 0.465178860554814 F77A-S84A 0.456423565183718 R194A-Y209A 0.454129320460036 M134A-E152A 0.444939660550758 V206A-L238A 0.437270213923735 Y209A-F239A 0.434079514231799 L167A-A195A 0.431053503564583 W118A-F128A 0.42467261411293 Y172A-I193A 0.404484185043771 T207A-F239A 0.396723344293153 W131A-T153A 0.395794384294286 W131A-T155A 0.391386819046142 L167A-Y196A 0.390365850465196 P116A-E154A 0.390291423142846 V151A-L173A 0.380758193391191 G130A-T153A 0.377933702893145 I193A-G213A 0.374126804553116 L132A-T155A 0.370197783611956 G241A-S249A 0.369204979005585 H74A-G86A 0.365065945125152 W131A-E154A 0.355210054576899 L199A-T207A 0.348716238753667 P116A-E152A 0.33968968620161 L167A-L197A 0.338742907843118 Y171A-Q191A 0.337077141417061 A115A-M134A 0.328075007992704 L197A-V206A 0.324605509168182 Q158A-Y209A 0.304505123631053 P198A-Y242A 0.298598571979213 A195A-G213A 0.298204453290214 F244A-S249A 0.296663161034552 L197A-Y209A 0.294965738790196 P198A-S205A 0.287571309836871 T155A-E192A 0.28557382909022 P208A-V236A 0.285566070677038 R194A-I212A 0.285037457290534 T155A-E174A 0.283261643221643 L238A-A255A 0.279991884622244 V73A-D117A 0.270950431744414 G86A-N129A 0.270308803314843 H204A-L252A 0.263373808878619 T88A-K113A 0.262196773571875 V151A-Y171A 0.259416974291421 Y196A-R211A 0.258742969978856 L132A-V151A 0.257773027437852 V73A-M134A 0.257531062013641 E70A-G89A 0.25322138611731 E152A-Y172A 0.250569105271604 Y75A-S84A 0.249813640860284 E15A-F239A 0.246030062820648 E72A-G89A 0.245728198100178 W131A-E152A 0.245529655187707 L132A-G156A 0.242330383650263 N9A-S249A 0.241801167966014 Y172A-R211A 0.235252509359861 N129A-E152A 0.230921667182826 E72A-P116A 0.230732253924607 P198A-H204A 0.228728044143596 Y135A-E152A 0.223277446780798 G86A-W118A 0.220371815141145 R168A-Y209A 0.218118656747861 L78A-G86A 0.214852320614745 P116A-S133A 0.214166447768617 L214A-N234A 0.214126752860391 G156A-R168A 0.212858871256848 G90A-I114A 0.212849744365991 T153A-L173A 0.212762728882458 S205A-F239A 0.211060356376882 T88A-D117A 0.210468368647295 Q191A-L214A 0.207852691970484 G89A-I114A 0.202631064387691 N129A-Y172A 0.192831058665083 N129A-L167A 0.191397789843888 Q76A-G89A 0.189594294353311 H74A-W118A 0.189424761494882 V206A-D243A 0.189345282633305 L87A-P116A 0.187803919002015 T88A-W118A 0.187301156040808 W131A-Y171A 0.186958094384434 N170A-G213A 0.186072377132801 H204A-E253A 0.185849910454818 G156A-E192A 0.185162393033126 Y172A-Y196A 0.184729331826004 E192A-Y209A 0.183687182807699 Y240A-A255A 0.181460192960438 G213A-V236A 0.180329775532796 L197A-T207A 0.179342579481553 H7A-G247A 0.178687506811983 E154A-Y196A 0.177187307429606 W118A-T153A 0.175936755843275 M13A-G241A 0.17517023675507 R235A-A255A 0.174295146668754 T155A-T210A 0.172541395225071 G241A-L252A 0.172364173941512 E72A-Y135A 0.171094590865756 R127A-N170A 0.170215013682162 A166A-Y196A 0.169195491016586 A115A-L132A 0.168643695128599 H74A-W131A 0.166127476238119 H204A-Y242A 0.163763914400643 G213A-A255A 0.160554564800271 R127A-G156A 0.158392674729351 G11A-G247A 0.156617010244103 E15A-L252A 0.155125166126403 H74A-G89A 0.153817562574724 T88A-T153A 0.151934255062953 M13A-Y254A 0.151251059111882 A166A-H204A 0.150982390724831 F91A-A115A 0.150494550882211 L78A-P116A 0.150123403912177 Y159A-A195A 0.149665596609173 P208A-L238A 0.149095966329561 A12A-S249A 0.147459999069115 N129A-R194A 0.14686811659233 F239A-S249A 0.146543739577797 T155A-L173A 0.144419093630916 Y135A-V151A 0.140510265570027 G11A-S251A 0.140322779016769 L87A-W131A 0.139251261528234 Q76A-S84A 0.138743960870673 Q191A-R235A 0.13750127381544 D117A-L132A 0.13715615898864 V120A-V169A 0.13473384949566 S133A-T155A 0.133989577410967 V236A-E253A 0.131996622143874 I212A-A255A 0.130408498236303 Q76A-G86A 0.13031442910942 Y171A-Y209A 0.130205727326972 Y196A-Y254A 0.129826162162099 Y240A-Y254A 0.129668931976931 N170A-Y209A 0.128536217375822 G90A-K113A 0.127988763544158 Y172A-Y209A 0.127722661329785 E192A-R235A 0.127103205958298 G156A-I193A 0.127078774514175 E72A-G86A 0.12684658849486 N9A-E72A 0.126720856339586 I193A-T210A 0.126720375173001 Y196A-A255A 0.125479851794165 G89A-A115A 0.125087349920611 M13A-L248A 0.124988867077272 W118A-S133A 0.124679773428206 P208A-L252A 0.124335245251824 A115A-E152A 0.123380001549961 H74A-D117A 0.122667275878952 Y14A-Y240A 0.122593206147504 Y209A-R235A 0.122325009265174 G241A-A255A 0.119844239901966 D119A-R127A 0.116218514542322 E154A-I212A 0.11621347955154 A195A-A255A 0.116180650979381 P116A-Y172A 0.115713489047395 A166A-S205A 0.115543890573704 M13A-Y242A 0.115499534228722 G130A-I193A 0.115356959295466 A195A-L238A 0.115072169897144 A166A-P208A 0.114239164742638 S133A-Y172A 0.114213335176057 G156A-A166A 0.112526062911008 G130A-A195A 0.112360413476464 Q158A-N170A 0.112286695808423 H74A-S133A 0.111526227090709 T207A-S251A 0.111475642851874 T153A-R194A 0.111115328470004 E174A-G213A 0.110171320680339 R211A-E253A 0.109267562867541 W131A-L173A 0.108770097844423 G213A-R235A 0.108482960605325 S84A-W131A 0.106290856367729 P116A-W131A 0.105913310444351 G130A-L173A 0.105599015677642 E192A-I212A 0.105125425253286 N129A-L157A 0.105000200761839 D119A-G156A 0.104338748537464 L87A-D119A 0.103837759603801 D119A-L132A 0.103032915353741 G156A-L173A 0.10255528138359 L199A-Y209A 0.101659744320182 Y196A-S205A 0.101657202952363 G130A-E152A 0.101003322464768 M134A-E174A 0.100937285475059 L199A-L252A 0.100916261277147 D119A-E154A 0.100044377344083 L132A-Y171A 0.0999802335944009 E70A-T88A 0.0995692053941983 A195A-F256A 0.0992246616076748 G241A-G247A 0.0990804673052694 E192A-E257A 0.0987941025875352 A166A-L238A 0.0986253947739995 L157A-N170A 0.098281231012638 Y135A-L173A 0.0981507748769346 S84A-Q158A 0.0978352576595229 G90A-L132A 0.0978301345386354 N170A-N234A 0.0975995340538096 W118A-L132A 0.0975205152060594 N9A-S251A 0.0974095974349813 Y209A-E257A 0.0970062614696203 F85A-R127A 0.0961282178496705 K113A-W131A 0.0956197404962218 E15A-S251A 0.0947687433254571 P198A-Y254A 0.094210287321288 F239A-V250A 0.0932541876941686 Y196A-G213A 0.0931936081630251 L78A-A115A 0.0921372372876048 L132A-L157A 0.091534924921838 V169A-G213A 0.0915319003860036 T210A-F239A 0.0911756243717079 M13A-E70A 0.0897715571385939 D117A-N170A 0.0880940107300496 N9A-N246A 0.0876164144912244 T207A-A255A 0.087535278614197 D243A-L252A 0.0872942014383127 Q158A-A166A 0.0867687579648351 G86A-S133A 0.0866026549693859 I212A-L238A 0.0860477906914804 L132A-E174A 0.0859931770778983 N170A-Q191A 0.0851172074955988 L197A-I212A 0.0850298716718073 S205A-E253A 0.0847721249437825 L238A-F256A 0.0843090550215073 N9A-D243A 0.0841664193045735 D117A-F128A 0.0841183715113103 Y242A-E253A 0.0837101656393084 S84A-V120A 0.0832343507566082 G130A-V151A 0.0820926868943986 W118A-G156A 0.0818481598549163 W131A-V169A 0.0814392500663319 P208A-Y242A 0.0810677620374096 T210A-N234A 0.0805514162701568 A115A-T155A 0.0803396520605073 M13A-Y240A 0.0790916508952071 H204A-F244A 0.078966024653488 R194A-A255A 0.0775600392621456 G89A-L132A 0.0762414622434271 F8A-N246A 0.0760777065327689 L157A-P198A 0.0753632522143679 L87A-A115A 0.0753024178864963 Y209A-Y254A 0.0751632862912692 S84A-T155A 0.0750104761169625 S84A-R127A 0.0749978918506172 G213A-G237A 0.0742303416214591 G237A-F256A 0.0740642658167463 L87A-G130A 0.0736462211761402 A166A-Y209A 0.0730391398477477 R211A-L238A 0.0723227006692059 M134A-Y172A 0.0720136106625665 K113A-T153A 0.0699833163165118 H74A-M134A 0.0697172070492731 G156A-R211A 0.0696198261850287 D117A-E152A 0.0683274578280066 H74A-S84A 0.0677098787863361 L78A-W118A 0.0676162163540974 V120A-T155A 0.0670650016520979 Q76A-L87A 0.0670359522700115 P198A-G241A 0.0669435003308061 L71A-A115A 0.0660515876527965 D243A-L248A 0.0654247959236347 N234A-E257A 0.0651802849934133 R194A-T207A 0.0643237000475543 N129A-A195A 0.0638622130220385 L167A-I193A 0.0637876351630624 N129A-A166A 0.0630451215432508 A12A-G247A 0.0604320962955198 A195A-N234A 0.0602141765947006 P116A-F128A 0.0600802105049858 F128A-Y171A 0.0581549793409586 V73A-L87A 0.0581416764476756 Y209A-V236A 0.0580692894996471 E70A-G90A 0.0578844018227338 G237A-E253A 0.0574329312787039 R235A-F256A 0.056743624628373 G11A-N246A 0.0560175452718124 V169A-P198A 0.0552431269319722 K113A-E152A 0.053080262169992 G130A-T155A 0.0518082074922948 E154A-G213A 0.0514818947899358 G89A-W118A 0.0514685946466216 R194A-P208A 0.0477181110316127 W131A-Y172A 0.0476663123176801 Y159A-N170A 0.0475559927807425 A166A-V206A 0.0475324544596081 T155A-A195A 0.0470771121520972 G241A-N246A 0.0465133320358646 L132A-L173A 0.0453336658243373 S133A-E152A 0.0450281555303809 E152A-I193A 0.0447885068278762 E192A-R211A 0.0446137294216724 M13A-F239A 0.0437857976203844 P208A-R235A 0.0434877407087204 V151A-Q191A 0.0434654066588158 T207A-F256A 0.0432111582964847 F77A-V120A 0.0426567410565952 V120A-N129A 0.0424065959503934 L71A-G90A 0.0416451033532912 Y172A-N234A 0.0414725098124042 M13A-E253A 0.0412975884280622 A115A-N129A 0.0411611908558851 F128A-E154A 0.0410879212063691 Y14A-V250A 0.0403885201615188 S205A-G237A 0.0382868001181018 P208A-F256A 0.0379589542956021 H204A-Y240A 0.0377071252071011 E70A-F91A 0.0377011450874236 R211A-F239A 0.0368664534931584 V206A-Y254A 0.0368523136292627 L132A-N170A 0.0362551410373744 R194A-L238A 0.0361252446563194 T207A-D243A 0.0357277752693395 V236A-E257A 0.0355075663840321 T153A-G213A 0.0352820141163246 R168A-P208A 0.0352141436115012 T155A-L167A 0.0349362526134287 T155A-R211A 0.0338190892266239 A195A-L214A 0.0333716482588317 Y209A-N234A 0.0331980166949837 G130A-Y196A 0.0329293718808117 Y171A-G213A 0.0317226900429097 R211A-Y254A 0.0313803261256922 F128A-T153A 0.031231964148243 T155A-I212A 0.0310721331253285 T153A-R168A 0.030006124439047 V169A-Q191A 0.0292264978844545 R168A-V206A 0.0285900251046649 L78A-T88A 0.0272611773723073 T88A-G130A 0.0265285907075841 Y240A-F256A 0.0265255649575824 R194A-R235A 0.0263749550333947 I212A-G237A 0.0254010140278336 K113A-E174A 0.0248208001150534 Q76A-G90A 0.0244171082417903 M13A-S249A 0.0243351668990319 P208A-G241A 0.0243146360754012 N129A-Y159A 0.0241768748624285 F77A-W131A 0.0240790903588275 R127A-R168A 0.0233252723223575 Q76A-A115A 0.0230461212614945 M134A-T153A 0.0217113967727807 L214A-V236A 0.0207769735190788 Y159A-Y196A 0.0201784505771372 S133A-Q191A 0.0201717588849515 N170A-Y196A 0.0201655574688767 Y159A-Y209A 0.0195282685924338 A195A-T210A 0.0192954533767766 G11A-G241A 0.0192139410304024 H204A-G247A 0.018987631861175 R168A-L199A 0.018863922344738 F85A-T155A 0.0184444810548108 Y209A-E253A 0.0181172315995966 Y159A-T207A 0.0178148374518856 E192A-V236A 0.0173880117108069 F8A-S249A 0.0173393116234548 L87A-Y135A 0.0167891581594262 R168A-R194A 0.0164886183462158 L173A-R211A 0.0161982281866817 V206A-S249A 0.0150708905061809 F91A-S133A 0.0147353661122481 H204A-L238A 0.0139064641648381 A12A-G241A 0.0138131930544683 G156A-Y171A 0.0135265721059081 G90A-P116A 0.0134671908650363 G130A-Y159A 0.0131794700037213 G11A-L252A 0.0130089350273881 L87A-V120A 0.0128785055566403 L132A-Q191A 0.012826185233469 D117A-V151A 0.0126465631956307 F77A-T88A 0.0118075908102124 E72A-K113A 0.0113157826786963 F91A-I114A 0.0108949783576202 H204A-L248A 0.0104321882882815 A166A-T210A 0.00978217829937478 G86A-T153A 0.00927138925600102 T210A-Y240A 0.00904570725095244 R211A-G237A 0.00899093706098064 R211A-E257A 0.00896157375928652 P116A-T153A 0.00798889689685733 Y196A-E253A 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