[Mon Aug 29 17:57:20 2016] >Input file: TME9Q6Y6S3G.pdb >TM segments: B394-406_B415-469_B479-487_B495-501 MAIDEN score = 21.8038 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 ----------- ---------------- E429B-C461B 10 E429B-C460B 7.10302861004311 H454B-Q496B 6.5876051746402 C406B-W432B 1.69485686996552 W396B-T426B 1.65438368411013 P450B-L499B 1.21674756828988 W396B-I424B 1.02475181235508 L453B-V497B 0.980757502009368 F482B-V497B 0.980530857512093 T402B-F422B 0.954988331007612 V401B-F422B 0.857576872951642 E395B-L442B 0.774258993821606 V451B-L499B 0.738646582300019 V401B-Y423B 0.72201017517118 V437B-N466B 0.695055063141711 V451B-N500B 0.650338475805233 N463B-K485B 0.646989197773578 T403B-F422B 0.608521477747688 L453B-T498B 0.573568008045193 C406B-C461B 0.566394365464483 G438B-N468B 0.551532260788392 V464B-K485B 0.506763341293956 S448B-L453B 0.496876269683482 L453B-L499B 0.466674711776921 W396B-S443B 0.458430522456439 P405B-P427B 0.445548770417508 V401B-S425B 0.444625433058915 E397B-T428B 0.435443678617775 W396B-S425B 0.427798804909266 L439B-N468B 0.415006708793975 L467B-R484B 0.410908834391361 V451B-V497B 0.408305664312366 L467B-Q483B 0.399971886280229 T402B-S420B 0.391772240544729 W396B-S441B 0.386356020818932 P427B-E462B 0.385700686614862 R436B-C461B 0.385061959951241 P405B-E429B 0.384647464364359 Y457B-G495B 0.380017733354515 I469B-I480B 0.378574381641999 W396B-L442B 0.371831317494244 E397B-P405B 0.371384362910548 G417B-F422B 0.368811626734596 C452B-L499B 0.366663691658145 S440B-L467B 0.365499893815151 I399B-F422B 0.358198093331243 E395B-T428B 0.355273738411165 Y465B-R484B 0.352962985832449 E435B-C460B 0.352410183572536 T428B-L439B 0.344267721293435 C452B-V497B 0.338574261098891 Y457B-Q483B 0.330923633665977 F455B-Q496B 0.327060490220372 S440B-K479B 0.324518360646292 E397B-I424B 0.322216452117452 R398B-T403B 0.307736574799601 E429B-E462B 0.304590445273862 R436B-Y465B 0.300946905643507 R398B-C406B 0.29669716436845 P427B-Y465B 0.295966130390496 E462B-K485B 0.290871340460842 E397B-C406B 0.287551903842043 T426B-S441B 0.286451480501698 S448B-K479B 0.284076765249111 P427B-Y457B 0.280279527489535 N468B-R484B 0.279730547892686 T402B-T426B 0.276605225267446 E429B-R436B 0.27402306248107 T403B-Y423B 0.270740320480664 W396B-T402B 0.264420330319293 V401B-C460B 0.264236445039412 C452B-F482B 0.26225531397302 T403B-C460B 0.25666687566015 F482B-G495B 0.256578141726202 E397B-C460B 0.254995748669563 F404B-G431B 0.25395813962428 C461B-R484B 0.242879773911277 R398B-I424B 0.238271454827284 Q400B-G421B 0.236491007843396 P405B-Y423B 0.235761371239348 N394B-Q400B 0.234196282531901 E449B-L499B 0.233555655103578 G438B-L467B 0.231319675070974 C406B-P427B 0.229547571431305 F422B-Y457B 0.227368274474947 F422B-Y458B 0.227223616520827 T447B-L499B 0.225634289162142 M459B-R484B 0.223553291359607 N466B-Q483B 0.223115177190146 P405B-C460B 0.222115134250583 T426B-L444B 0.216634012414783 L439B-N466B 0.214713368085443 D445B-V481B 0.211749897854277 P450B-Q496B 0.210254494005385 Q430B-G438B 0.209228842791562 E395B-Q400B 0.20456686920799 T415B-F422B 0.203407997936704 P427B-C461B 0.203297698177844 N468B-K479B 0.201012836515104 T447B-T498B 0.200140472465998 T426B-G431B 0.19985854053578 Y458B-N487B 0.197147206449781 T428B-R436B 0.19339516609768 R436B-N468B 0.191437507667167 R398B-F422B 0.18970874174808 N394B-S434B 0.18897758332306 I480B-T498B 0.186870337672288 T426B-E462B 0.18284528040968 E395B-Y423B 0.17978630697761 L453B-K479B 0.178399303109263 T428B-N463B 0.177137909966132 C461B-N466B 0.176490701760899 E397B-Y423B 0.173891556046701 N466B-F482B 0.173696088191957 S425B-N487B 0.171606180061185 S448B-V497B 0.169095189940224 P450B-T498B 0.168717726454673 L467B-K485B 0.16796783535471 C452B-G495B 0.167591119038725 K479B-T498B 0.167366847548307 K479B-R484B 0.163739928296079 R398B-S443B 0.163584746029496 V401B-Y458B 0.163297681422457 R436B-S441B 0.15879082773073 S448B-N500B 0.156101481177942 T426B-L442B 0.15508914879032 Q483B-G495B 0.153566665529478 Y458B-Y465B 0.150892841618424 V437B-E462B 0.149310321875752 E397B-S425B 0.14925629226081 T426B-W432B 0.147943091912404 I469B-V481B 0.146514459664994 S441B-M459B 0.146434068605321 W396B-D445B 0.14579830786965 N394B-I424B 0.145492945497702 E449B-Q496B 0.14458902836622 W396B-S434B 0.143007164266956 Y423B-Y458B 0.143001740787434 S448B-L499B 0.141894387416553 W456B-R484B 0.140094588771044 Y457B-V497B 0.140082328287177 N418B-Y423B 0.139267993417995 N394B-R433B 0.138031785643861 Y423B-C460B 0.138009969130536 Y423B-Y457B 0.137666976442844 S448B-T498B 0.137294142116053 R398B-S420B 0.137243610129017 H454B-V497B 0.137189566308667 L439B-C461B 0.13694283522962 Q400B-R433B 0.136307098960258 Q430B-C461B 0.136244085141174 R398B-G417B 0.135334729745761 Y465B-Q483B 0.13496124097591 F404B-C460B 0.134093236211667 Y457B-Y465B 0.134076225457845 N394B-I399B 0.13304895323898 K485B-G495B 0.132512806766421 Y458B-K485B 0.132195800453364 S441B-Y465B 0.131545648579836 Q400B-I424B 0.131240829348681 S443B-F455B 0.130399918812161 S425B-W456B 0.130380376516785 E435B-E462B 0.129815580675833 G486B-G495B 0.128631698927221 Q430B-Y465B 0.127695542523006 G438B-E462B 0.12705046932616 F404B-Y457B 0.125875651442401 E429B-Y458B 0.125356835036405 G421B-Y457B 0.125009158969402 I399B-G419B 0.12356908977492 C406B-Q430B 0.122821731877831 M459B-G495B 0.122348199564518 S441B-I469B 0.1222890308558 T428B-N487B 0.121645649886001 E449B-V497B 0.121459388097837 S441B-K479B 0.121127637173516 F455B-N487B 0.120100100613337 L444B-H454B 0.120071071001837 S425B-Q430B 0.119357264639661 E429B-G438B 0.119315984572319 I424B-C461B 0.119241617680618 Y465B-N487B 0.118497596674422 S440B-C461B 0.116864229458606 N394B-S425B 0.116837374232386 W396B-L444B 0.116653478365428 T428B-R433B 0.115793650710369 L446B-L499B 0.115350136043963 S441B-Q483B 0.11499162549541 S434B-M459B 0.114885482812956 L442B-L467B 0.114147771579767 Y457B-K485B 0.110876829793652 V401B-G421B 0.11005793509153 P405B-Y458B 0.109585895259742 T415B-G421B 0.108845693455443 Q430B-S440B 0.10815977910347 T403B-G417B 0.107819301580527 L467B-G486B 0.107703089414542 Y423B-F455B 0.107500098508626 G431B-V437B 0.105433965155292 E395B-S443B 0.105260317126736 N394B-R436B 0.104815768814181 L444B-V481B 0.103973649684532 E395B-E429B 0.103102772856127 E395B-T426B 0.102196144192477 T403B-G419B 0.101026355833554 F482B-N487B 0.100781718130368 E395B-S425B 0.100631356837894 S441B-N466B 0.100574881298135 V481B-Q496B 0.0995339320116664 E395B-T402B 0.0990246919387432 V401B-I424B 0.0985393266790577 F455B-F482B 0.0984962761769328 N468B-Q483B 0.0972110221367628 L444B-V497B 0.0968097999127633 S425B-C461B 0.0966184032062336 S425B-F455B 0.0961658374405108 S441B-C461B 0.0947364342622164 S440B-I469B 0.0936035982971655 C406B-S434B 0.0921402920924943 I424B-L446B 0.0913123336632238 S443B-S448B 0.0902069513055421 I480B-K485B 0.0898587159356738 L467B-K479B 0.0896671378145077 Q483B-T498B 0.0894738000511888 S434B-C460B 0.0888944736545407 C460B-K485B 0.0879650755670109 Q430B-L439B 0.0869505901004715 T447B-H454B 0.0866767787417713 L453B-R484B 0.0860811949528479 V481B-G495B 0.0854814497746176 I399B-S425B 0.0848974458490579 E397B-G421B 0.0842646183384681 S425B-L444B 0.0835614618318496 T403B-Y416B 0.0831807926998753 C461B-G486B 0.0827512648358741 R436B-L467B 0.0826606515514636 R433B-C461B 0.0824824706926979 E435B-N468B 0.0815896145114312 Q400B-C406B 0.0809031231911541 L442B-Q483B 0.0808650770469912 L467B-N487B 0.0806713752298127 S425B-G431B 0.0806374367014955 E395B-R436B 0.0804440403553848 T428B-S443B 0.079893545738994 D445B-F482B 0.0795393541521543 F404B-S425B 0.0782541864532114 G417B-I424B 0.0781779063178512 M459B-N487B 0.0779258225122064 L442B-N466B 0.0779024296603192 T426B-N487B 0.0778062060391016 S425B-L442B 0.0774107238686352 N468B-F482B 0.0768168902074278 R398B-L444B 0.0764074924086864 S441B-Y457B 0.075233284634372 S434B-N466B 0.0747055329209436 P427B-S441B 0.0732186463864277 T426B-N468B 0.0730744708704218 D445B-K479B 0.0730579341725139 E397B-M459B 0.0708812135232282 E397B-E429B 0.0690158866227443 R484B-Q496B 0.0684490149291315 R484B-T498B 0.067343907585889 L442B-I480B 0.0669757948006025 T403B-N418B 0.0663969465982643 E397B-E435B 0.0651561433898281 R398B-G421B 0.0650438076900564 P405B-M459B 0.0647145066349764 S425B-D445B 0.0634850624042977 N466B-K485B 0.0628008658228536 L446B-F455B 0.0619759300828431 T428B-L467B 0.0615012239009616 S425B-S443B 0.0608849282333774 L453B-I480B 0.0608353439613611 P427B-S443B 0.0605141335607291 L453B-G495B 0.0591648833687435 T426B-R436B 0.0591365548171089 Q430B-M459B 0.0589175761042369 Y457B-N487B 0.0578703514337695 C406B-Y458B 0.0576011955665927 L439B-V464B 0.0566579671612502 T447B-F455B 0.0556361681794866 P450B-E501B 0.0556287349640712 K479B-V497B 0.0545632970415577 T403B-Y457B 0.0542655337497928 S434B-S440B 0.0538511975331781 V481B-N500B 0.0531421689953713 C406B-S425B 0.0530900210041492 R436B-V464B 0.0527246419165945 W456B-G486B 0.0509190228980134 L444B-F482B 0.0507764514762914 W396B-M459B 0.0504469458836567 G421B-Y458B 0.0503878880242841 S425B-S441B 0.049611695510194 W396B-T403B 0.0490922756139014 V437B-N463B 0.0485639153951145 Y423B-L444B 0.0468704920884662 N394B-S440B 0.0466855292485548 R433B-E462B 0.0466206042301955 Y423B-W456B 0.0458234489697689 E449B-H454B 0.0452087279136739 L442B-K479B 0.0448128349475314 P427B-E435B 0.0445804563517038 T428B-K485B 0.0440054226488069 S440B-D445B 0.0439690785451325 N466B-N487B 0.0438192527483914 V464B-G486B 0.0437101756754505 T402B-Y458B 0.0432794824849023 N487B-G495B 0.0430154451507074 T428B-C461B 0.0429312456902267 W396B-E429B 0.0428950633465019 I424B-H454B 0.042378539716582 E429B-E435B 0.0409864135758347 H454B-I480B 0.0409476584896519 V481B-T498B 0.0402208638802355 S440B-V464B 0.0399252684905367 T428B-L442B 0.0395777018631707 E435B-Y465B 0.0395567654303175 Q400B-T428B 0.0383909305692072 Y465B-G486B 0.036344899425039 S440B-K485B 0.0362716985399287 R433B-G438B 0.0361196416714815 F422B-P427B 0.0357383095344819 E397B-S440B 0.0354536576766353 N394B-S443B 0.0350049039023039 S440B-V481B 0.0349063406598717 L439B-I480B 0.0343850499740626 P427B-R436B 0.0343524198480615 S434B-S441B 0.0338889455911202 F404B-S434B 0.0331995388491126 L446B-I480B 0.03318575114635 Q430B-V464B 0.0321494283138692 S440B-N468B 0.031921436455891 P427B-C460B 0.0314615504949121 Y457B-N463B 0.0314525215798467 I399B-P427B 0.0301071386209817 Y423B-S443B 0.0292466865855009 Q400B-S434B 0.0288713085146997 G431B-M459B 0.0287516182317014 Y416B-G421B 0.0281296291211968 P405B-I424B 0.0279479932443161 N468B-I480B 0.0272744133315057 I399B-S420B 0.0255096743839003 E429B-G486B 0.0250001976942533 L467B-I480B 0.0249926207339239 N463B-N487B 0.0248373641876141 W432B-E462B 0.0246945461094423 F404B-C461B 0.0244198643815021 Y416B-Y423B 0.0242345585788435 Y423B-H454B 0.0239844529820414 Y458B-N463B 0.0239691110250186 E395B-L444B 0.0239369729453978 W456B-K485B 0.0234529632484026 S441B-I480B 0.0233820909737208 P405B-T428B 0.0231482299435104 N394B-E435B 0.0221771102497756 R398B-T415B 0.0218375111926874 N466B-G486B 0.0217377805226828 T403B-T415B 0.0215907371946926 E395B-V401B 0.0215200580683373 Y423B-M459B 0.0210023424501014 T403B-E429B 0.0197781885752129 I424B-S441B 0.0190683962972482 E462B-L467B 0.0184449414377248 S425B-S434B 0.0171119909561632 Y423B-S441B 0.0168115165905052 Y465B-I480B 0.0161949090902738 L446B-H454B 0.0160037048722605 K485B-V497B 0.0159405800283903 T428B-V464B 0.0156755794099492 T402B-Y457B 0.014967478699226 Q430B-N463B 0.0148383926781341 I469B-K485B 0.0147497206936142 P450B-F482B 0.0138592850320094 Y458B-R484B 0.0136704680488116 C460B-R484B 0.0125257692282641 T402B-C460B 0.0122018760318943 V464B-Q483B 0.0114317680725262 S448B-F455B 0.0108749040717742 T428B-G486B 0.00911952574078034 Q400B-G419B 0.00807054395024842 S440B-Q483B 0.00757991385863077 P450B-F455B 0.0072622822227586 E429B-N466B 0.0072488790258376 E395B-S440B 0.0070549284780686 E449B-E501B 0.00694137397703165 T403B-M459B 0.00675882300084707 T426B-R484B 0.00669957526466147 R398B-Y458B 0.00667804270345407 C460B-G486B 0.00665440580923404 T415B-F455B 0.00662789237287598 N466B-I480B 0.0057590045348066 R398B-C460B 0.00494950331705046 T426B-G438B 0.00493949497802415 L444B-L499B 0.00462467889887463 I424B-C460B 0.00446541521444865 Q400B-G431B 0.00411348759062546 S425B-W432B 0.00389850123650737 M459B-G486B 0.00368613643982396 M459B-N466B 0.00250274472136258 P405B-Q430B 0.0019642897635288 V401B-T415B 0.00180081018616107 E397B-S441B 0.00115307743278592 I424B-L444B -0.000346406089457574 Y465B-K485B -0.000842683316499837 T428B-E462B -0.00167752438585955 R398B-Y416B -0.00196132923577333 W456B-G495B -0.00239046483192196 V401B-N418B -0.0028100139458378 T415B-S425B -0.00325663454065506 N394B-T428B -0.00367016423043598 F455B-R484B -0.00410028394226725 F404B-E429B -0.00433991092156383 T426B-V437B -0.00447324591487597 W456B-V497B -0.00455634558003615 R398B-G419B -0.00502916426267319 G438B-Q483B -0.00526164068736357 F422B-S443B -0.00530365000969013 T402B-P427B -0.00643315647957898 V451B-G495B -0.00661221497542064 S448B-H454B -0.00692736705279096 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