[Wed Aug 24 18:24:37 2016] >Input file: TM3RFUCGD.pdb >TM segments: A16-31_A34-50_A82-101_A109-121_A272-289_A293-312_A607-626_A634-654 MAIDEN score = -34.0889 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 ----------- ---------------- I121A-C311A 9.68377958197493 W87A-F115A 1.11042467899941 F282A-Y296A 1.00162949199917 A49A-E116A 0.956715162728807 L25A-Q45A 0.916938442415265 I307A-V620A 0.845183328341674 W285A-L294A 0.821763972979231 E116A-I121A 0.773706194301402 W87A-A118A 0.703049864654107 L622A-L634A 0.692445813110112 L18A-L48A 0.688962274142369 V304A-G619A 0.675514808305417 C309A-F613A 0.652938773572288 V274A-A308A 0.640758716842347 P21A-Q45A 0.625559604816929 N39A-V94A 0.616938399471981 L18A-A49A 0.615809329532829 A86A-F115A 0.603034102750479 F282A-G297A 0.599822314827154 G82A-C309A 0.588008197998599 A86A-I306A 0.584906756480419 P97A-G109A 0.577395761984967 A312A-F611A 0.572387484076913 P101A-A293A 0.572143486715506 I307A-V617A 0.564287230500775 G38A-V111A 0.559063928792977 W87A-Y114A 0.557970531592788 V277A-A624A 0.553402015345547 F611A-L646A 0.553116092096906 S303A-L635A 0.551036116507334 A308A-F613A 0.547073454404308 A308A-V620A 0.543534934709968 A86A-V302A 0.543362277944182 F282A-A301A 0.543015429195144 A93A-V113A 0.527220896572233 L46A-F115A 0.525246276012656 A93A-V110A 0.521677889655933 F611A-V651A 0.510067617855718 F611A-S650A 0.50665500643473 G38A-W43A 0.504401062842803 T19A-A49A 0.50390227929894 F282A-A300A 0.503483379945895 V304A-V620A 0.501313847365332 A286A-Y296A 0.50094553706036 A49A-F115A 0.500472672073079 E116A-P310A 0.494959111433508 A312A-V651A 0.494758355221359 P310A-F613A 0.484038021576536 L25A-S41A 0.483609382020866 V279A-A301A 0.467651380694429 S648A-I653A 0.463672698887852 I283A-L288A 0.46218860560839 W87A-V92A 0.461892837849311 Y89A-V113A 0.453982169854283 N39A-I44A 0.451464415473778 Y89A-A112A 0.450243866497368 S281A-A301A 0.449517827816186 I639A-M644A 0.44651938075905 H34A-N39A 0.442788964673573 S90A-F115A 0.44086500555191 L25A-H30A 0.440732706469168 F282A-L298A 0.439236325387973 A278A-V304A 0.437191636857452 V284A-G297A 0.435170099624349 S303A-V620A 0.427406439627276 A308A-V617A 0.42414686334028 S41A-L46A 0.422246501963926 S90A-A112A 0.421431058776491 P310A-A612A 0.421410673191748 Y615A-S647A 0.420726631086806 Y615A-L646A 0.418332887562024 V85A-I306A 0.41515042985522 A278A-V302A 0.414745731142359 V304A-A624A 0.41293060635495 V277A-V304A 0.412130177469526 I121A-M644A 0.411515664176499 W43A-V94A 0.407777337665904 A312A-M644A 0.398515441223393 T19A-V120A 0.395016307189764 I83A-I306A 0.39023778362412 V22A-F115A 0.388324015193627 V277A-A301A 0.387362274291062 W96A-V110A 0.384993320129886 V113A-P637A 0.384557317635881 W87A-V113A 0.383959665177612 Q607A-Y615A 0.377755218563193 C309A-M644A 0.376689400464618 A278A-A308A 0.376550018003834 G82A-C311A 0.370017105560804 P310A-N616A 0.369216769168391 I24A-G29A 0.368401791804855 V649A-N654A 0.367940607617775 I121A-P310A 0.366050892339965 F611A-S647A 0.365550637955514 S90A-P637A 0.365312879622211 W96A-V111A 0.364052558240768 G84A-C309A 0.363721223034078 P21A-W43A 0.363320161127509 S37A-W43A 0.362820190161764 S281A-Y296A 0.361527425789502 S37A-V110A 0.357170293444013 W96A-P101A 0.354200843621244 G289A-L294A 0.352356330753145 Y296A-V626A 0.352347252116368 N616A-P621A 0.351980189196447 A623A-L634A 0.350435488346559 V85A-S90A 0.346334426486445 A612A-S648A 0.343727296222587 G625A-L634A 0.343538780153231 G82A-E116A 0.343520153104947 S281A-A286A 0.343479506906336 P621A-S636A 0.342271112898783 A312A-L609A 0.342203868160364 M91A-W96A 0.338755805295937 S303A-A624A 0.337565316101473 A623A-L635A 0.336825297497164 A312A-N608A 0.336483365878479 A86A-A308A 0.334950860552067 G82A-I307A 0.333656748264916 L646A-V651A 0.332615152107706 F35A-S41A 0.329830810226008 G619A-A641A 0.329701619304196 G31A-I36A 0.327695030250712 Q45A-Y89A 0.327404698193153 V274A-V304A 0.327166899680337 I283A-G297A 0.324431352134945 V279A-A300A 0.323881846224257 S90A-L95A 0.323561855563834 F282A-L287A 0.323272732711201 V620A-G625A 0.315652757008833 S41A-A112A 0.314694288331424 N608A-M644A 0.310865381136338 T19A-L48A 0.310073488759607 A118A-A641A 0.309980035314186 N616A-P637A 0.309833147330951 Q607A-A612A 0.30974247650963 A612A-A642A 0.309350679886606 Y615A-V651A 0.308937624858733 P621A-P637A 0.3066940030439 Y615A-P637A 0.304024209349365 W285A-Y296A 0.300735569750736 V277A-Y296A 0.30066973611725 V22A-I44A 0.300291303999131 Q607A-V651A 0.300002270830781 A278A-L298A 0.29881369303337 A624A-L634A 0.29734933484793 I307A-A623A 0.297186830757329 A117A-I306A 0.295914049976525 C311A-A612A 0.295712738802541 L16A-A119A 0.295371150756216 G84A-S303A 0.295036749876446 L18A-A119A 0.292848044047282 C311A-V617A 0.292409440025847 P21A-T50A 0.292091688107361 V22A-L48A 0.291501357464445 V274A-L305A 0.289950113886198 S37A-A112A 0.289405692434859 S42A-G109A 0.288997964368757 A112A-S303A 0.287311181364222 F35A-G40A 0.285125116685816 V94A-V113A 0.28473976185557 G40A-L95A 0.28470534604411 V92A-V111A 0.282951181428831 F282A-L294A 0.281705555694545 L25A-G38A 0.281347738241714 P637A-A642A 0.278238654273334 A612A-L646A 0.27816034630153 G38A-S90A 0.277867795386475 S41A-A49A 0.277724106169046 A49A-A118A 0.276927424078309 L618A-G625A 0.276379694113688 M27A-Q45A 0.275586776587777 S647A-I652A 0.274090332071474 I306A-A640A 0.273258599475451 A278A-A624A 0.272815048912913 P97A-V111A 0.271289688170363 V120A-C311A 0.268365944274487 L622A-L635A 0.265363008423974 V94A-V111A 0.265197377169061 V279A-W285A 0.265004119401722 A301A-A624A 0.264762490030586 S90A-V113A 0.264690100977409 S303A-N616A 0.263338001896584 V279A-G297A 0.262465652930164 V85A-L305A 0.26244484091014 Y89A-P101A 0.262268271179114 G29A-Y114A 0.260941765736447 C309A-Y615A 0.260669914900828 P21A-Y114A 0.260423768235035 E26A-V113A 0.259316066645732 A119A-A641A 0.258914983987781 L25A-E116A 0.25857928927236 S281A-G297A 0.258256641490965 Y114A-P310A 0.256578173240832 I83A-A118A 0.256260514822396 V94A-V110A 0.254477619890453 S42A-L95A 0.251281903700177 W285A-S295A 0.247596224826326 L305A-P621A 0.247002058167345 G29A-Q45A 0.244134901027901 N39A-P97A 0.243981231095338 L298A-S303A 0.243701330349698 N39A-Q45A 0.243011041655805 V92A-P97A 0.240415371659024 A286A-A300A 0.23991558806302 A86A-A301A 0.238511603801625 L25A-H34A 0.238307597994524 S281A-L298A 0.237770130999069 Y615A-S648A 0.234010422368183 T19A-E26A 0.233245635241863 I83A-A117A 0.232810052620914 V277A-I299A 0.230851038942041 A117A-P637A 0.230759781975612 A117A-A645A 0.229377801023839 Q45A-F115A 0.22866518914694 I44A-A49A 0.226857070692133 A93A-A112A 0.226034206160867 I44A-V113A 0.225739235259846 Y89A-A301A 0.225537151677361 F282A-A293A 0.224620755349394 S42A-P97A 0.22240560855693 S647A-N654A 0.218645890050947 I307A-A643A 0.218639846623218 V620A-V626A 0.217897228763048 Y89A-A118A 0.217700143188341 G38A-V92A 0.217174531008799 A640A-S648A 0.217114107851849 I83A-V304A 0.216686340073528 I307A-G619A 0.214600434583604 M91A-V302A 0.214404610657673 A308A-S636A 0.21379638574514 V617A-I639A 0.213771141866046 H30A-S42A 0.213377029933597 A117A-S303A 0.213103872979541 C311A-G619A 0.212164297792601 S303A-L634A 0.211349696109759 V304A-M644A 0.210114209587758 G82A-V120A 0.209718891865429 I275A-A301A 0.209622307697435 I307A-Y615A 0.207964070340058 L280A-W285A 0.207849213937401 V274A-G619A 0.207369767198038 A312A-Y615A 0.206591299544975 A308A-S647A 0.206451186824973 G82A-N616A 0.20643493565759 G31A-N39A 0.205617234775753 A93A-F115A 0.204652659834835 V23A-M644A 0.202570240952368 A86A-A118A 0.202376165578778 V23A-S42A 0.201579979500695 L618A-M638A 0.200545383062134 V113A-S303A 0.199120739137001 A300A-G619A 0.198449615236772 S37A-V113A 0.19527192097216 F613A-A645A 0.195063916617031 V279A-S303A 0.194472147475169 L25A-G31A 0.193513324895491 G84A-A119A 0.191466098958503 W87A-C309A 0.191151942871945 L16A-V22A 0.19089783164354 P97A-V110A 0.190520999293704 S41A-P97A 0.190457577859719 Y89A-G98A 0.190418756965478 Y89A-G297A 0.189345998994154 A86A-A117A 0.189306993834359 L46A-V94A 0.189145180604885 Y89A-Y296A 0.186665136650124 M91A-S303A 0.186245629249867 S295A-A624A 0.186126968976675 A117A-A641A 0.185126202533707 A112A-I299A 0.185020736055469 A273A-S281A 0.184161315784002 S90A-V111A 0.184100170510075 G31A-G109A 0.18376350079809 I307A-A640A 0.182471219960979 A86A-L305A 0.182424878242395 Y89A-S295A 0.182395989343779 V302A-S636A 0.182304038937753 I307A-N616A 0.182094012065837 V111A-M638A 0.181516135603407 I306A-G619A 0.181338247780586 A300A-S636A 0.181092301601993 G82A-S90A 0.177861439850047 V23A-G28A 0.177569260633851 Y615A-S636A 0.177070214813915 P310A-L618A 0.176567118334072 A118A-I307A 0.176321697600088 G38A-I44A 0.176251364499944 E26A-H34A 0.175876545187762 L618A-S647A 0.175374790490073 I306A-A641A 0.173350791311142 G29A-F35A 0.172279602816078 G82A-W87A 0.172203587726409 H30A-F115A 0.171518189262075 I614A-A642A 0.171428158976199 Y114A-M644A 0.17030364153882 G29A-S42A 0.169882716710941 V113A-I306A 0.169262419714372 G297A-L622A 0.169014473325572 G40A-V111A 0.16818734735693 G38A-Y114A 0.167657528504055 V304A-P621A 0.167354763632282 G29A-A117A 0.167187822879728 G82A-V274A 0.16707478972753 L46A-E116A 0.167027218232673 I121A-A641A 0.16694825911599 F115A-C311A 0.166939538227503 A49A-V94A 0.166869102909044 G40A-M91A 0.166670223146909 A645A-I652A 0.166625193869717 A112A-A117A 0.166525835761876 Y89A-S636A 0.1663265270544 V284A-L294A 0.164353961763071 V113A-V120A 0.164279410053731 A86A-V111A 0.163760316291919 S41A-P637A 0.163341414026337 G31A-S42A 0.163002576511397 A278A-V617A 0.162506214712283 G289A-A623A 0.162159898525146 G29A-V111A 0.162106239449185 G31A-G38A 0.161994286372451 Y89A-P637A 0.161940506797557 L280A-P621A 0.161761770026033 C311A-S647A 0.161745456276957 G28A-A112A 0.161636831452177 G289A-G625A 0.160038189658309 N616A-L635A 0.159258062366557 G297A-L634A 0.15900264120023 I20A-T50A 0.158972250814672 C309A-L618A 0.157801397173638 A86A-E116A 0.157685769023247 V617A-V626A 0.156955985947096 G29A-A640A 0.15668669035669 A49A-G84A 0.156606101975301 T19A-W43A 0.156285225302342 V22A-M638A 0.156087739002106 G82A-A612A 0.154834605132423 N39A-L95A 0.153509898499233 V120A-M638A 0.152896137467884 M91A-I299A 0.152786486232871 G38A-A49A 0.152651322762559 M27A-I44A 0.152084471986035 V92A-V99A 0.151859035258648 L46A-W87A 0.151395378189736 F613A-S647A 0.150194845277898 Q607A-N654A 0.150089534076636 I614A-A641A 0.150061720459066 F613A-A642A 0.150009822042488 E116A-A640A 0.149771196330565 A273A-I306A 0.149582132798121 A286A-G297A 0.149508542821122 I83A-A301A 0.148773985095454 I306A-A612A 0.148707386852768 V113A-S636A 0.148696996948508 L276A-P621A 0.148345284798378 S42A-V113A 0.147517931253349 A278A-A301A 0.147404635480997 S42A-V94A 0.147389783549651 Y114A-P637A 0.145754274717952 A117A-A640A 0.145317147494419 V284A-A623A 0.144788488568416 W87A-S303A 0.143700922162087 V85A-A278A 0.143600279844084 I83A-A640A 0.143103745625276 S42A-W96A 0.143038922691456 Y89A-Y114A 0.142890403670006 Y89A-E116A 0.142747039055284 F115A-S303A 0.14204547641704 V284A-V620A 0.141795078323908 P272A-L305A 0.141396303759954 V620A-A642A 0.140985244897364 G40A-Q45A 0.140809087977208 V22A-V111A 0.140560893834402 Y296A-L622A 0.140388961865151 A308A-F611A 0.140170802969473 N608A-N654A 0.138908442770415 F115A-V120A 0.138366615417098 I614A-A643A 0.138259136975273 E26A-I36A 0.137832926551457 S90A-A119A 0.13769651988603 V284A-V304A 0.137287320010629 I299A-V620A 0.136489883976221 L276A-I306A 0.136312462859441 A86A-I299A 0.135863061376346 H30A-E116A 0.135441592220269 L18A-Q45A 0.134851742568071 Y89A-I307A 0.134737092037581 V22A-S37A 0.13465193204548 I20A-Y114A 0.134583802044175 A278A-I306A 0.133917789237148 G82A-M91A 0.132905010167321 L280A-S295A 0.132833452474774 H30A-Q45A 0.132779199928213 A278A-G289A 0.132505085735207 V99A-S295A 0.130815615368098 I44A-A93A 0.130321038697271 A86A-A640A 0.130173921326266 A312A-N654A 0.13015486664383 C311A-I652A 0.130136824416649 L305A-N616A 0.130023270635609 A86A-I121A 0.129971829812436 N608A-S650A 0.129942897366321 E26A-N39A 0.129450222770371 V277A-L622A 0.127987484038308 I88A-V302A 0.127902740061255 A300A-G625A 0.127680116217348 L280A-V304A 0.127530407029643 I24A-L47A 0.127452859441084 V304A-A643A 0.127395916832905 E26A-A640A 0.127323055528635 V120A-S648A 0.127279903106269 L298A-L622A 0.126714973421929 P101A-L298A 0.126691109378242 A86A-P637A 0.12566302741153 I121A-A640A 0.125213195561814 M638A-S647A 0.125201827201475 S42A-W87A 0.125096767207582 V626A-L634A 0.125051538946833 N616A-S636A 0.124897707073076 I614A-G619A 0.124703956120511 P21A-A118A 0.124611919582793 G84A-A300A 0.124551525123216 L305A-L634A 0.123889552329617 A119A-P637A 0.123748453175175 F282A-A623A 0.123625997583298 P272A-V617A 0.123119106549231 G31A-I44A 0.122836939022998 I20A-V120A 0.12277182442118 V23A-H30A 0.122540209219709 I88A-S303A 0.122314777854441 G29A-A112A 0.122060399338363 M91A-F115A 0.121994352527539 A117A-V302A 0.121909534073944 G82A-A118A 0.121429569421426 A308A-P637A 0.121119399384114 H30A-A112A 0.120956471840253 A112A-S295A 0.120746441565447 A112A-L635A 0.120648977667948 L618A-L634A 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