[Wed Aug 24 18:21:05 2016] >Input file: TM3QRCATD.pdb >TM segments: A31-42_A51-61_A69-76_A97-103_A115-120_A140-146_A158-165_A170-180 MAIDEN score = -14.3214 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 ----------- ---------------- Q75A-Y97A 10 G35A-G177A 2.44228862776828 V69A-P103A 1.4566815992968 I34A-L57A 1.44522119981922 T100A-L117A 1.25064827232785 L141A-K165A 1.18700197208196 R60A-I70A 1.17072974159854 F73A-Y97A 1.00110654179347 K58A-F73A 0.997918659392702 I32A-Y59A 0.943885661275508 T100A-Y143A 0.908917775757002 A142A-K165A 0.897653502703091 A159A-W174A 0.803438945860629 V41A-N51A 0.702179705318204 F73A-V99A 0.68450348144137 Y163A-K170A 0.669621071416772 G71A-V99A 0.65910438999048 I34A-F55A 0.650925352201293 S164A-G172A 0.648553469193529 A101A-L116A 0.640628145139433 P103A-L116A 0.589386766802831 V99A-A142A 0.559844367176158 E162A-V171A 0.557322428977361 I32A-R60A 0.555927541605755 V41A-V171A 0.546423030373945 L57A-F73A 0.53852273745307 Y61A-I70A 0.520067798658332 G120A-S164A 0.519224811299308 S72A-S98A 0.518308633062579 S140A-S164A 0.513307659391877 Y161A-G172A 0.502183158189249 F73A-T100A 0.484143734596525 I32A-L57A 0.478539588082182 S39A-W174A 0.463166158127594 S98A-A142A 0.461540284811597 N56A-A74A 0.456456311450206 Q38A-F55A 0.456445297682431 F55A-T76A 0.448071996820018 G144A-S160A 0.447289819264272 K58A-Q75A 0.437935268151773 K58A-I70A 0.421886617892831 V69A-A101A 0.414251507059034 L141A-S164A 0.385185161005034 S31A-G179A 0.381328302143684 Y36A-R53A 0.373476499391462 Q75A-Y161A 0.365580246554448 S98A-G118A 0.364087404907234 F55A-A74A 0.361671444915766 L57A-A74A 0.361156855791247 S39A-R53A 0.35901815768266 A37A-L176A 0.355319893497649 T100A-A142A 0.352972524249697 R60A-D158A 0.350095345487826 A142A-E162A 0.349785077461659 A74A-V99A 0.346894479914729 A74A-A101A 0.335342224686055 L117A-L141A 0.334161578957149 I70A-P103A 0.333242632872898 A119A-Y143A 0.330652073027593 A142A-S164A 0.328461747429395 Y161A-M175A 0.325481159050454 S33A-G177A 0.321722359761551 V99A-Y161A 0.320190974046525 T100A-T173A 0.318407013746408 A145A-E162A 0.318119092732131 A159A-G179A 0.316787215006323 S72A-A159A 0.30987509516052 G35A-M175A 0.308071899576505 G118A-A145A 0.307229641617829 A119A-L141A 0.304610246438294 A159A-L176A 0.301093967347896 S72A-G120A 0.298059157706319 L116A-A142A 0.297857653475377 L117A-Y143A 0.297853019263951 I32A-A178A 0.29514562383913 A37A-S98A 0.295005928919768 D158A-M175A 0.290772072514665 G71A-A145A 0.288607213512238 A37A-Q75A 0.288146708942367 I34A-M175A 0.285845143663128 Q75A-Y163A 0.284403572725882 A101A-G146A 0.276635794063189 N51A-E162A 0.27572193767008 N56A-G179A 0.275487041583202 V41A-P52A 0.273277095804866 A74A-G177A 0.271835688024919 T76A-E162A 0.271664400774703 F73A-S98A 0.268276769892686 S98A-G172A 0.257490187709957 G115A-A159A 0.257444144463923 Q75A-E162A 0.25738800761787 Q38A-W174A 0.254975062461859 S72A-Y143A 0.253423548957499 P52A-W174A 0.251922867386021 A74A-G144A 0.24983768303127 S72A-G177A 0.248575615747601 R40A-P52A 0.248404746923018 N56A-G177A 0.248228170709472 K42A-V171A 0.248197982379618 S164A-V171A 0.247233273747835 Q38A-N56A 0.246615911786705 G102A-A142A 0.24531022309365 L117A-G144A 0.243330685844368 A74A-G118A 0.24267200987375 P103A-Y143A 0.24231217793034 G120A-Y161A 0.240263154598971 S72A-Y161A 0.238094978852893 R40A-M175A 0.238038555960347 Y59A-G146A 0.237706486573977 P52A-Q75A 0.237207318267584 Y59A-I70A 0.237102641373315 Y59A-A178A 0.235477126098725 T100A-G144A 0.234007482518644 L117A-E162A 0.232990278642568 A74A-G172A 0.232780956291171 A119A-A142A 0.231977693925164 P103A-G115A 0.230048920252109 G35A-D158A 0.229448275754584 S72A-S164A 0.22528230583838 G102A-L117A 0.22114401197718 F55A-A178A 0.220269984267438 E162A-G172A 0.215506562936432 V41A-M175A 0.215363638822216 V99A-L116A 0.210334511381289 N56A-G144A 0.210107361657598 G118A-Y161A 0.210011710193801 V99A-S164A 0.209011184752663 L116A-Y143A 0.206687116737948 A145A-D158A 0.204333959849161 N56A-L176A 0.203948045564468 I34A-G177A 0.203553899725953 V41A-Y161A 0.203474063924412 Y143A-K170A 0.201720244037141 S160A-L176A 0.201156035668338 S39A-V171A 0.200691669883124 S39A-T76A 0.199705851932873 I34A-T76A 0.195479248668165 L116A-E162A 0.19533650116216 A37A-A74A 0.194420833639855 A142A-S160A 0.19416174240162 Y97A-G144A 0.191654839485103 N56A-G146A 0.190321205797216 Q38A-T76A 0.18966043460611 A145A-G172A 0.188638404549382 A101A-G115A 0.18823498872156 S31A-G177A 0.180909553546863 G146A-D158A 0.179886520997792 S39A-K165A 0.179479387209025 Y143A-M175A 0.178976964271108 D158A-G179A 0.178723993641131 G102A-Y161A 0.17816180809876 N51A-M175A 0.178149482920157 I70A-A145A 0.1731694310718 S164A-M175A 0.171952851548248 Q75A-G172A 0.171827275835877 N56A-D158A 0.171596052737322 T76A-T100A 0.170866446314842 V69A-A145A 0.168156183018574 Y36A-S72A 0.167757360049766 A37A-G179A 0.166509706295845 S98A-K170A 0.166047232130237 K58A-E162A 0.164141796003582 K58A-A145A 0.164131044953683 A74A-G115A 0.163766538976145 G146A-G177A 0.162761680409861 G35A-A178A 0.162167704867421 K42A-P52A 0.162123771615737 G115A-A142A 0.161769986429734 Y59A-S160A 0.161576068344107 I32A-Y180A 0.160835166629867 Q38A-G177A 0.158049728119681 T100A-L141A 0.158028609266085 Y59A-Y180A 0.156567806232118 G71A-A178A 0.156535923591947 G102A-G120A 0.155069120611995 S72A-A142A 0.154959001018504 I70A-L116A 0.154621368210872 K58A-W174A 0.150645282200045 G71A-Y97A 0.149502788235941 G35A-L57A 0.148962171507303 G54A-A74A 0.147535462614775 Q38A-L176A 0.146931109382249 F73A-G144A 0.14498949886299 Y36A-Y97A 0.144687320252234 I70A-Y143A 0.143614165894013 Y61A-A101A 0.143148793612255 G102A-A159A 0.143097866886815 A37A-D158A 0.14271600157493 N56A-E162A 0.142121942731935 S33A-A74A 0.141285225871389 F55A-E162A 0.139214790878902 G54A-S98A 0.138848616919306 G71A-G102A 0.138258613091264 T100A-S164A 0.138134066215896 G54A-A178A 0.138106936090442 I70A-A101A 0.137651759876192 Y97A-Y161A 0.137229271455839 S72A-P103A 0.136126058404544 G35A-S72A 0.135897726204227 L117A-G146A 0.135062656776475 R40A-Y97A 0.134370622384853 L57A-Q75A 0.133747797387676 Q38A-N51A 0.133576103830459 G35A-G146A 0.132813748137663 I34A-G179A 0.132030741460637 L57A-Y161A 0.131936147539885 A159A-M175A 0.130206555844977 S72A-Y163A 0.129275888053803 S160A-A178A 0.129074379348161 A37A-S72A 0.129048428129276 Y59A-A159A 0.128991482752874 P52A-Y163A 0.128750373378922 A101A-Y161A 0.128432353204287 R40A-T173A 0.126863694782437 S164A-W174A 0.126501718897579 G35A-T173A 0.125805740547701 G71A-E162A 0.125648424339613 P103A-G146A 0.123917198586953 Q75A-S98A 0.12389574985774 K58A-G102A 0.123660364133913 A101A-L117A 0.122617405241903 G71A-G144A 0.122400123517111 Y97A-L117A 0.122069659676862 A74A-S140A 0.120092540820545 Q75A-A142A 0.119161676039042 T76A-K170A 0.118322506678687 Y36A-N51A 0.117294017258965 G71A-L116A 0.116626440536188 A37A-G146A 0.115972029488734 S33A-L176A 0.115482219082482 L57A-S160A 0.115472656229963 S72A-G146A 0.11515046727353 G146A-A178A 0.114100460273209 A74A-Y163A 0.113795355879435 L57A-L116A 0.112985136910573 S33A-A101A 0.112189514941998 A74A-A145A 0.111816756546634 L116A-M175A 0.111771452303132 A74A-G102A 0.111677357181029 A37A-G144A 0.111370528209036 Y59A-G115A 0.111327476207508 Y61A-G179A 0.110366440030889 A119A-T173A 0.110056289035577 L141A-V171A 0.109424453519965 G71A-Y161A 0.108559797798897 G71A-Y143A 0.108415647874217 S72A-A178A 0.107059235007882 I34A-A178A 0.106691041105838 G54A-G172A 0.105645438473175 R60A-A178A 0.105373532633005 G71A-A142A 0.1050372961434 F55A-M175A 0.10488906496389 Y163A-G172A 0.103658109850024 A74A-A159A 0.102498642938233 P52A-T173A 0.10135428349888 T76A-G120A 0.101273073472078 T76A-S164A 0.10038833218749 G35A-L176A 0.10033057082486 L57A-G177A 0.0998516833345595 G71A-G146A 0.0997342144321971 A145A-S164A 0.0990958561722195 I34A-L176A 0.0988667018276219 V69A-G118A 0.098692640314169 G54A-G177A 0.0986233404250183 S98A-L141A 0.097475701038146 A74A-L117A 0.0973014948167616 A101A-S140A 0.0970624065336283 I34A-I70A 0.0970278330184442 T100A-G146A 0.096503556404703 Y36A-E162A 0.0962721671230975 F73A-Y163A 0.09451931414364 K58A-G144A 0.0938777291812271 V99A-G115A 0.0918127577846533 S31A-I70A 0.0912367913467484 D158A-G177A 0.090951867087508 G35A-T76A 0.0908685697239565 G102A-E162A 0.0906635928115853 N56A-G120A 0.0898273735319677 K58A-G146A 0.0894978342795001 N56A-A101A 0.0892307076806906 G146A-T173A 0.0887903433972463 R60A-G177A 0.0875767785144747 S72A-G115A 0.0870674416114419 R60A-G102A 0.0867346832595866 G144A-K165A 0.0863505072999726 R60A-T100A 0.0862194600986411 A145A-V171A 0.0856016226471388 Y97A-S140A 0.0846157491247546 G54A-G120A 0.0840872132282047 G54A-V171A 0.0839004467474604 G118A-K165A 0.0838553396282253 G71A-S160A 0.0837988438165214 I70A-G144A 0.0837463712169129 V41A-G54A 0.0827979425021323 G120A-V171A 0.0824146989675549 Y59A-A74A 0.0818081135808277 S98A-K165A 0.0816801862529797 V41A-Y97A 0.0808699804206983 K58A-G115A 0.080142472498633 G54A-S160A 0.0792488598084462 I32A-A159A 0.0790998008142223 R53A-Q75A 0.078743696292904 S39A-A142A 0.0774968071334068 R53A-V171A 0.0772560138066796 S72A-T173A 0.0771678487523699 F73A-A142A 0.0768099514716649 P52A-S164A 0.0765633877809861 Y97A-K165A 0.0761656534507988 V41A-Q75A 0.0759617135328052 G71A-G179A 0.0759114189629509 G71A-A119A 0.0758639283182312 V69A-G144A 0.0750863308864222 G120A-A145A 0.0748574670951978 K165A-V171A 0.074807890056658 G115A-S164A 0.0745335380306529 A37A-Y163A 0.073796526615284 R40A-S164A 0.0735969044476584 L117A-K165A 0.0730651374608584 S33A-Q75A 0.0721158176997028 S160A-G172A 0.0718055211216537 G118A-G146A 0.07147187378074 Y59A-M175A 0.071429659052013 S98A-W174A 0.0713926790046471 G118A-G172A 0.0712955523624851 G120A-K170A 0.0712552430465745 A37A-S164A 0.0710611891080237 I70A-A159A 0.0705217650124546 A74A-A142A 0.0699336356175628 K42A-N51A 0.0699076955420774 A37A-T173A 0.0696265275658394 G118A-S160A 0.0695427955139056 S72A-W174A 0.069019784973461 I70A-A119A 0.0683796840852535 Q38A-G144A 0.0679716078840915 Y143A-Y161A 0.0679367104400845 Q75A-S164A 0.0678313459166038 I70A-A142A 0.0677775984049074 G120A-G144A 0.0670981398603478 L116A-S164A 0.0668373663454673 G71A-A159A 0.0666872246060342 L116A-W174A 0.0664923837518057 V41A-G120A 0.0658283670466462 E162A-W174A 0.0653411554723247 Q75A-G144A 0.0645782383654763 G35A-Y161A 0.0645584960955894 F73A-A159A 0.0643060483009292 P103A-G144A 0.0641840346689513 A101A-G120A 0.0619673288870741 G71A-M175A 0.0617368020061875 F55A-G179A 0.0614603674101715 P52A-Y161A 0.0608295319047385 G54A-A159A 0.0608208900563441 N56A-W174A 0.0596335734728992 G120A-T173A 0.059039029672181 V99A-M175A 0.0581958315700888 A37A-F55A 0.0577310094611265 R60A-G71A 0.0576663262457675 P52A-G172A 0.0575997088052895 L117A-S160A 0.0572871734726013 N56A-G71A 0.0568050216092013 V99A-G120A 0.0565713999814506 A101A-G118A 0.0556777203521236 A159A-G177A 0.0555928215300476 A37A-A142A 0.055499253673184 I70A-M175A 0.0554757125456646 R60A-A74A 0.055007090655637 G102A-S160A 0.053634310399561 Q75A-A119A 0.0528431152578264 N51A-Y163A 0.0522780702895893 G35A-V99A 0.0506517793780456 N56A-Y180A 0.0506120958951128 Q75A-V171A 0.0503289730398511 A119A-G172A 0.0502256520711652 Y36A-W174A 0.0498963034479107 S33A-G54A 0.0498803364852947 S33A-I70A 0.0491109299462922 I34A-D158A 0.0490712504067092 N56A-Y143A 0.0490214295381004 S72A-A101A 0.0488509204301941 A101A-S160A 0.0486955729106571 L57A-A159A 0.0475591400650135 T76A-Y161A 0.0473181965061076 K58A-Y143A 0.0469479809005779 S72A-D158A 0.0467288500016041 F55A-A159A 0.0463967392062496 S31A-A159A 0.0449867476760391 F73A-A145A 0.0449208083240107 A74A-L176A 0.0447654372717414 L57A-Y97A 0.0443919677200255 T76A-G172A 0.0440939272597949 A37A-W174A 0.0440754585627223 T100A-S140A 0.0437977769581264 P52A-M175A 0.0432138641021285 S39A-G144A 0.0429251796318703 T100A-K165A 0.0423363150177665 G146A-G172A 0.0415446850755461 G120A-G172A 0.0409012882176887 A101A-M175A 0.0406994753646046 K42A-T76A 0.040428695175113 T100A-V171A 0.0402875033325962 S33A-G146A 0.0401777997079383 K58A-T173A 0.0398005350122572 T100A-S160A 0.0395113812027339 S33A-S72A 0.0394337835297045 Y36A-G177A 0.0393145384430191 A74A-L141A 0.0388284637097795 N51A-G172A 0.0387411806580591 Y59A-V99A 0.037657401507568 S39A-G120A 0.0375236772316416 K42A-K165A 0.0363381086264223 K58A-D158A 0.0354698800853044 L57A-T173A 0.0352747160774378 S98A-G115A 0.0351749648770472 N51A-T173A 0.0342372867845927 R53A-G177A 0.0339162399404422 Q38A-S98A 0.0338805429416658 Y97A-Y143A 0.0327598094027621 Q38A-A159A 0.032731750322565 S140A-G172A 0.0324336978944157 I70A-G118A 0.0318551118517361 L116A-G146A 0.0310888744149995 Y61A-T100A 0.0303464307755865 G35A-S98A 0.0300975558481129 Y61A-S72A 0.0299059424645878 G118A-Y163A 0.0297267726880164 S33A-Y61A 0.0296726893385644 S31A-S72A 0.0296086619732479 R60A-A159A 0.0292667274493823 F55A-Y161A 0.028896995763235 Q38A-F73A 0.0288009895491068 S72A-L176A 0.0285914154155227 S39A-L176A 0.0279766408052524 S98A-Y161A 0.0275826126386169 S72A-A145A 0.0270474584990081 Q38A-S72A 0.0266616521117009 R60A-G146A 0.0261032176813036 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