[Mon Aug 29 16:39:15 2016] >Input file: TMQ9V3X5S3G.pdb >TM segments: A693-745_A842-883 MAIDEN score = -12.8726 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 ----------- ---------------- Y856A-A882A 1.25772117025553 M866A-K872A 1.1999935139271 V860A-W878A 1.0503659672362 L693A-L721A 1.03912014077707 V704A-S715A 0.938899596802224 V859A-W878A 0.87840800662339 A863A-D874A 0.851631201178291 A848A-D855A 0.844941086906398 A862A-W878A 0.839135479275366 L721A-I737A 0.821201350902019 D855A-A882A 0.789931083583562 A863A-E876A 0.768273645979589 Y856A-V883A 0.764425798339094 L719A-I737A 0.687263661733591 L693A-Y718A 0.651174271636122 Y856A-K881A 0.604995653360986 R846A-L858A 0.602922625156671 A848A-L858A 0.591590273874066 H845A-L858A 0.588545537069134 Q694A-L721A 0.568071420212236 Y725A-L731A 0.543248043735325 H845A-V859A 0.541305663124933 V726A-L731A 0.530875196659057 L721A-A734A 0.501281461487178 L719A-Y738A 0.500555916272446 N854A-A882A 0.491917945438695 A849A-N854A 0.475691685545936 A849A-V859A 0.468557081603655 A702A-S744A 0.467971446359338 S697A-A702A 0.467337863520157 D706A-A713A 0.459349593583494 R705A-S715A 0.459126822266887 A695A-D700A 0.44748987156449 V859A-K881A 0.444859847574021 S697A-Y718A 0.442068308177159 Q694A-Y738A 0.437264729445848 A703A-Y718A 0.43433782893763 V726A-R733A 0.433607404497377 V704A-A717A 0.418928637820566 L693A-Q720A 0.41381157601039 R867A-V873A 0.413525915509031 R714A-S744A 0.402370198030438 R846A-A862A 0.389357119425385 V860A-A875A 0.382263283276718 A703A-A741A 0.381699480810754 A723A-A736A 0.378739905909938 H845A-A861A 0.372076408081788 S715A-L745A 0.369375229288145 S715A-A741A 0.365063095104567 V873A-W878A 0.360710709366166 D874A-Y879A 0.357625650382498 A849A-L858A 0.355777167581582 A848A-P853A 0.346186941548181 Q694A-Y718A 0.34489414760588 R847A-D855A 0.34155442711334 Y738A-S743A 0.336513092513722 Y844A-V860A 0.33645879382607 V860A-D874A 0.336055437990143 L724A-A734A 0.325635571258599 S716A-A741A 0.323398131366422 R846A-L851A 0.322934759122453 E727A-Q732A 0.321709044523331 R846A-D855A 0.317068826078424 R714A-Y738A 0.308650063688662 P853A-Y879A 0.303817259331782 Y844A-P853A 0.302550091694253 T864A-A875A 0.301378423921931 A703A-L745A 0.297493358625735 K872A-M877A 0.297244209357932 R847A-N854A 0.297227071963773 D706A-Q712A 0.296930020874988 L721A-R733A 0.296850906465764 L858A-A882A 0.296796595371948 G701A-S743A 0.290267090957765 G722A-L742A 0.287029560311403 L858A-A863A 0.286318591643624 Q720A-E740A 0.280052047768971 R846A-V859A 0.272752796038866 A848A-A861A 0.272645218970482 Y718A-A723A 0.270919666780799 R846A-Y856A 0.267929271814026 D855A-Y879A 0.267277676740283 A842A-A865A 0.262696490192686 R733A-Y738A 0.258462672258077 Y718A-R739A 0.251572211394759 S697A-L721A 0.250177679883584 H845A-P853A 0.249960875030427 L693A-S716A 0.249272197333681 D700A-D706A 0.24768991997677 G722A-R733A 0.245971682918735 G696A-L719A 0.240480323628692 T857A-A882A 0.239707585164753 A723A-A734A 0.235311270500773 G722A-L735A 0.234622412545058 V704A-D711A 0.231904211957136 Y718A-I737A 0.230697420996615 R705A-Y718A 0.230659669469405 V860A-R880A 0.228673049789336 V859A-D874A 0.228582274079072 V859A-R880A 0.22689761571037 R846A-M866A 0.224858262052314 G701A-S715A 0.223405363441175 V859A-V883A 0.222316882542732 A863A-M877A 0.222253465061007 A852A-K881A 0.219709315330407 V704A-A713A 0.215966799417341 R846A-N854A 0.215736760909568 Q694A-E740A 0.213302377192823 L721A-Y738A 0.210656508928104 Q694A-A717A 0.205662827862732 N854A-Y879A 0.204732983954155 Q720A-E727A 0.200869262842668 R846A-V860A 0.200417411647156 G701A-I737A 0.199914894726624 A862A-A875A 0.199143852797983 D855A-A862A 0.199004636201183 Q720A-Y725A 0.196615411732084 A863A-Y879A 0.194782586630369 N854A-R880A 0.193310632546125 A736A-S744A 0.188506454644142 R871A-Y879A 0.188431589921132 Q732A-E740A 0.186997658468981 A723A-Y738A 0.182880518275924 R871A-W878A 0.182496925379217 R846A-A865A 0.182415939790846 R846A-W878A 0.182296243697441 Q712A-S744A 0.181213283650389 G701A-L742A 0.179700147889953 E850A-Y856A 0.178624880242448 P853A-R880A 0.175871560837245 P853A-W878A 0.174315719825986 A703A-Y738A 0.173410632233062 G696A-A717A 0.171544847819546 G701A-Y738A 0.171025338448343 S697A-Y738A 0.169771428223058 A695A-S716A 0.166612332625807 V860A-E876A 0.165772474984425 K730A-L735A 0.164041904038516 A703A-A717A 0.161678213107227 A702A-G722A 0.160359929012909 Y725A-K730A 0.160175980445142 A723A-E740A 0.159759856530551 T864A-K881A 0.158681087538139 Q694A-L699A 0.155232683573148 E727A-A734A 0.154937799020187 A702A-E740A 0.153342580290506 Y725A-R739A 0.153124988927002 L719A-R739A 0.152105735987346 A723A-R739A 0.151989548782579 V860A-V873A 0.15192806477001 L724A-K730A 0.150249351506603 A849A-A861A 0.148603198811537 G722A-I737A 0.148471057392308 R847A-A861A 0.148380310341833 D700A-R705A 0.147491494073938 R705A-S716A 0.147045683651896 S697A-S743A 0.146447204522147 A842A-R871A 0.146406451188985 M866A-A875A 0.143818394820151 D874A-R880A 0.143746047455255 H845A-A875A 0.140997740112907 G696A-G722A 0.14017202155936 A849A-A882A 0.136140630038385 M866A-D874A 0.135281294217068 R871A-R880A 0.135280635228741 A863A-D870A 0.133155245437766 H845A-A882A 0.132827329545789 R705A-A741A 0.132292110337578 Q694A-A723A 0.132225151951116 G701A-R714A 0.130732866089455 L693A-Y738A 0.130728567621774 Y844A-Y856A 0.129856381340196 A702A-R739A 0.128781447331516 A717A-S744A 0.128229762647678 A703A-R739A 0.128097031666992 L719A-L731A 0.126500046798172 A862A-V873A 0.126328328536682 Y844A-A863A 0.126280499869398 A842A-R867A 0.125883091516835 H845A-Y856A 0.125315391226992 G696A-Y738A 0.125009158969402 A703A-E740A 0.12485242885168 D870A-A875A 0.124638519440506 Y856A-Y879A 0.124077583380585 T857A-A875A 0.123798074425016 P853A-K881A 0.123489734948986 H845A-D855A 0.122364555705638 A842A-E850A 0.120004137222899 L868A-Y879A 0.119423413489272 A862A-R880A 0.118568148829249 R867A-K872A 0.118448659378814 Q728A-L735A 0.117997686680136 G696A-S715A 0.117815048240989 A842A-T857A 0.117754731633645 S697A-A736A 0.115240829121216 L719A-S743A 0.115226079932815 A865A-Y879A 0.114178296455211 R847A-V859A 0.113895659496392 P853A-A862A 0.113852725285436 A717A-A734A 0.113777342254777 A702A-Y738A 0.113704089870578 R733A-A741A 0.112831103690991 A849A-A863A 0.111910485246616 A848A-A882A 0.111559635097725 Q694A-A736A 0.110071421205127 Q694A-A703A 0.109122736486384 A842A-A875A 0.10869926399859 P853A-M877A 0.108560269575331 G696A-A741A 0.108494134783583 Y718A-E740A 0.107286031902462 A848A-A863A 0.107000715249206 A717A-R739A 0.105963373854839 P853A-V883A 0.105846362363402 A863A-K872A 0.105798637991205 Q732A-R739A 0.105156850427377 Y725A-Y738A 0.10503670556382 V873A-A882A 0.10443664403416 A861A-R880A 0.104296369744679 S715A-G722A 0.103144885657577 A702A-L719A 0.103019300116832 T864A-V873A 0.10280574190372 A713A-A741A 0.102754555364508 D700A-A717A 0.102598981978516 H845A-Y879A 0.102287032427371 R867A-M877A 0.102196999172058 S697A-G722A 0.101561295091268 Q720A-A736A 0.101166615566287 D700A-S715A 0.101081878180978 Q728A-R733A 0.100955856068121 A723A-Q732A 0.100870485179588 Q694A-S715A 0.100662159501268 L731A-A741A 0.100399766089613 V860A-A882A 0.0986521777197567 A842A-A862A 0.0980565442273054 Y856A-E876A 0.0979837553220078 S715A-A723A 0.0976370784503784 Y725A-Q732A 0.0974349008129112 G701A-R739A 0.095826832803938 T857A-R880A 0.0949791610545984 A695A-L724A 0.0949401318564931 R847A-A862A 0.0948700732067014 R705A-Q720A 0.0948190214100704 R846A-T857A 0.0948013050414146 E727A-I737A 0.094297883238696 A702A-A713A 0.0931133756216682 A723A-L742A 0.0931095176229932 A862A-R871A 0.0919770689404373 I843A-A863A 0.0918925621754711 Y844A-M866A 0.0913903611061238 A713A-L742A 0.0900827322409077 Y718A-Y725A 0.0899958263728644 V704A-L721A 0.0875337134000209 L735A-L745A 0.0872882819029854 V873A-K881A 0.0870089560448899 K730A-Y738A 0.0855411157118118 L724A-Q732A 0.0847699965525557 L693A-V726A 0.0847611305108433 G729A-I737A 0.0834143555359288 A861A-L869A 0.0829889821612948 L721A-Q732A 0.0828477892188948 G696A-R705A 0.0816809101252565 A865A-V873A 0.0816532162449053 G701A-G722A 0.0788942563340131 A717A-S743A 0.0785038507021332 R714A-E740A 0.0783457219168047 N698A-I737A 0.0768273051995102 A849A-Y879A 0.076307174916761 R714A-S743A 0.0753211245128911 A861A-M877A 0.0749905057501514 R707A-S715A 0.0746330400261208 G722A-Y738A 0.0743764764177905 R733A-R739A 0.074212605226899 L693A-R733A 0.073263211812002 L724A-A736A 0.0731740312663547 A695A-Q720A 0.0729402381845745 A713A-L719A 0.0729356908540533 G722A-A736A 0.0719370234923016 D855A-M877A 0.0715646684498052 L869A-E876A 0.0713398869219499 G701A-A736A 0.0710852406676388 V704A-S743A 0.0702934593859292 N698A-V704A 0.0699497762372511 A702A-Q720A 0.0694713560554812 A734A-S743A 0.0693770544127181 R846A-T864A 0.0691470049050498 Y856A-A875A 0.0684042331960084 R847A-T857A 0.068351668730032 G722A-S744A 0.0678094086304415 N854A-K881A 0.0676147791247979 Q694A-A702A 0.0674989242332149 G696A-A723A 0.0674282545506277 A861A-K872A 0.0673790482886645 Q720A-Y738A 0.0671388680410558 A695A-A703A 0.0665813320047737 Q694A-A734A 0.0651519794885529 L693A-L735A 0.0650076332233489 L693A-A736A 0.0643736379140654 R847A-A865A 0.0641621206131161 Q694A-A741A 0.0640394303440921 R871A-E876A 0.0632724183192455 R705A-S744A 0.0628292161456152 D700A-S744A 0.0626354682458037 I843A-V859A 0.062249279428281 L721A-L731A 0.0620917159887426 T864A-R880A 0.0620362518233522 D706A-L745A 0.0616034323812227 N698A-G722A 0.0615654748629889 A717A-A736A 0.0610791276370193 S697A-S715A 0.060840265225355 V859A-R867A 0.0606741126967358 Y844A-V859A 0.0604334078962556 M866A-M877A 0.0601891472077776 G696A-I737A 0.059837983267411 D700A-E740A 0.059718178841822 Q720A-L742A 0.0573603923340187 L724A-A741A 0.056855765333337 A875A-V883A 0.0566837608375597 R846A-A875A 0.0562254814576155 H845A-T864A 0.0544202164718306 Q720A-L731A 0.0544062736373192 A842A-P853A 0.053559599965336 N698A-A703A 0.053528544972737 L721A-R739A 0.0533842477748734 A717A-V726A 0.0533807235179413 V860A-R871A 0.0531124844100316 Y844A-A865A 0.0526613313137503 I843A-A865A 0.0523377240659388 D706A-S744A 0.0522920521998705 A703A-Q712A 0.0515999342210935 V704A-G722A 0.0508110130225217 A702A-L721A 0.050602483950172 N854A-A861A 0.0500437607247468 L693A-N698A 0.0498565279382697 S697A-A717A 0.0495839959039417 E727A-Y738A 0.0493737682458439 A703A-Q720A 0.0492096593000656 N854A-V860A 0.0488589262496739 Q720A-S744A 0.0486748197562386 L851A-A862A 0.0485145185303164 L693A-L719A 0.0484781166274124 L693A-L724A 0.0478149405985618 Q720A-L745A 0.0470263614878066 A863A-W878A 0.0460740698651758 V860A-K872A 0.0456866786239489 E850A-W878A 0.0453815381887926 A849A-M866A 0.0453543823022478 W878A-V883A 0.0440396040097535 N698A-S716A 0.0434260167563707 I843A-M866A 0.0427032693068786 A717A-A741A 0.0425464486608531 A865A-M877A 0.042221450892725 H845A-W878A 0.041894474465678 A703A-I737A 0.041363507434375 V704A-L742A 0.0411209735565077 L724A-Y738A 0.040976009425794 A848A-A865A 0.0406604050228845 L721A-L742A 0.0405137978695622 A842A-R847A 0.0402799169906971 D706A-D711A 0.0399900780404217 A861A-E876A 0.0396051734171516 D700A-S743A 0.0392070582573754 A849A-V883A 0.0390708971751632 A852A-A882A 0.038500880443781 R707A-R714A 0.0377858591559155 N854A-V859A 0.0368826067024184 E850A-A862A 0.0358864124842126 Y718A-R733A 0.0349820680687823 T857A-A865A 0.0349251704101743 T708A-A713A 0.0338074889790185 L735A-S743A 0.0336105442771228 N854A-A862A 0.0331513304034874 T857A-M877A 0.0326070758419301 V726A-R739A 0.032431628912267 S716A-L724A 0.031710786675789 A703A-G722A 0.0303880099947214 E850A-K881A 0.0302648876515748 G701A-L745A 0.0296881014551893 A861A-V883A 0.0296784551403615 V704A-Y738A 0.0291998172273056 R867A-W878A 0.0284581201700229 A842A-L869A 0.0280012596868335 A865A-D874A 0.0277264059447306 S715A-S743A 0.0275456692048115 L693A-G722A 0.0274653428713911 L693A-S715A 0.0272499268921159 Y844A-W878A 0.0269501564305705 K872A-R880A 0.0266990474100295 S715A-E740A 0.0265285294140751 L868A-W878A 0.0231839978268118 A695A-I737A 0.0231351507155129 A863A-A875A 0.0228579968773763 Q720A-S743A 0.0226640382239083 V726A-A736A 0.0220004741464037 V704A-E740A 0.0213698172642603 H845A-M877A 0.0209782352073375 G696A-E740A 0.020412167095998 Y844A-A852A 0.0201811189390422 A852A-A862A 0.0200383221717093 S716A-A736A 0.0200183843266508 A717A-Y725A 0.0199250716457233 A717A-L742A 0.0196221555506986 D700A-S716A 0.0189408770563273 S716A-S744A 0.0189294663578243 V726A-L735A 0.0187205687765299 M866A-R871A 0.0180277181237054 L869A-M877A 0.0177698410379143 G729A-A736A 0.017522111143312 A863A-V883A 0.0166333259609417 Y844A-T864A 0.0163288722755328 L693A-Q728A 0.0160308600593018 G722A-S743A 0.0150677501002177 D870A-M877A 0.0149537276437854 H845A-A863A 0.0149060268725685 A695A-A702A 0.011811237892883 D855A-T864A 0.0116238107440423 Y725A-A741A 0.0109941099662061 L731A-R739A 0.0108284905739162 A842A-V860A 0.0107004350203543 H845A-E850A 0.0100991160666686 E727A-R733A 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