[Wed Aug 24 23:57:07 2016] >Input file: TM3FB7ATG.pdb >TM segments: A104-123_B5-13_B18-23_B70-76_B82-89_B98-105 MAIDEN score = 34.9764 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 ----------- ---------------- Q6B-C23B 10 C23B-D70B 10 N85B-K103B 5.95387077996435 Q89B-F98B 4.78281067117661 I10B-K103B 1.40611331557481 L11B-L104B 1.26522497766173 I10B-L104B 1.20914499534496 I83B-L104B 1.17277778551108 V19B-I75B 1.02179814114171 Y87B-F98B 0.909671591421901 F21B-T102B 0.830363134211793 I10B-E105B 0.791155089478186 D82B-L104B 0.781220761544964 C23B-F71B 0.778369404270609 V13B-R18B 0.754896044365974 A84B-E105B 0.754126859495425 I83B-K103B 0.735250353918676 Y86B-L104B 0.688188259128305 S7B-S22B 0.604798552841478 C88B-F98B 0.569847557907512 S22B-T72B 0.554275119431399 Q6B-F21B 0.55140712837468 S12B-E105B 0.548058697484314 R18B-S74B 0.543965482135114 N85B-G101B 0.525061826856382 L11B-F21B 0.488481114165516 P8B-E105B 0.469758960660907 F21B-L73B 0.465486260228778 F21B-Y86B 0.410497303246977 S7B-F21B 0.409397078696825 V13B-L104B 0.39889559533364 S7B-T102B 0.391603200963244 A9B-T102B 0.381960327831989 Y87B-G101B 0.376847466578629 L11B-V19B 0.369453866529657 V13B-D82B 0.327839431505511 L11B-T102B 0.319343047754709 C23B-I75B 0.310738100618734 V19B-N76B 0.310217047693564 S12B-L104B 0.308241638838668 S7B-C23B 0.30816983744404 I75B-C88B 0.298917060897831 I10B-C88B 0.277815822445026 Y104A-Q89B 0.271791763662353 Q6B-Y87B 0.268602051254679 S22B-F71B 0.268524989691558 S22B-Q89B 0.255868245074134 P8B-N85B 0.255330771537375 F21B-S74B 0.254819554288737 Q6B-T102B 0.250635812264097 F21B-G99B 0.25017661426378 Q89B-T102B 0.248455223636036 T113A-T121A 0.241646488623076 I10B-V19B 0.226980338690724 P8B-L73B 0.216228358861134 S7B-S74B 0.21573353226781 S74B-K103B 0.21219257532702 S22B-L73B 0.211195751332879 T72B-Q89B 0.208198112040579 I75B-T102B 0.205086738291412 N76B-E105B 0.203644361907966 C23B-G99B 0.199854475009722 S74B-Y87B 0.188429157101018 P8B-F21B 0.188066427554103 S20B-Y87B 0.187467725006945 T72B-G99B 0.181911109019093 S12B-S22B 0.179696004522953 N85B-T102B 0.179632286703606 A9B-S100B 0.174668790789614 V13B-E105B 0.173145228058326 A106A-G111A 0.16357433834873 D82B-T102B 0.160729107356142 S7B-Y86B 0.1596741737338 D82B-E105B 0.156365516082888 S22B-F98B 0.155977061186391 F71B-G99B 0.155716408806014 V19B-I83B 0.154614033539382 V19B-A84B 0.153251616602771 S7B-F98B 0.153085299779755 L73B-K103B 0.150587659785127 S7B-C88B 0.143830910460886 T115A-T122A 0.143586575966069 V114A-A119A 0.142911109080523 V13B-V19B 0.137467061092209 N76B-D82B 0.136325936787653 L11B-Y87B 0.134253012251342 C88B-G99B 0.132600625987032 T5B-I10B 0.129988249176186 V13B-A84B 0.129133196949199 I83B-G101B 0.123581814933316 T5B-K103B 0.123357260939993 S12B-S74B 0.123254672744946 F71B-C88B 0.122988998330159 S7B-D70B 0.122804962061591 I75B-I83B 0.122259497602526 P8B-T72B 0.117825638909839 C23B-S74B 0.116786870783213 V13B-F21B 0.116499902248636 F71B-Y86B 0.113990552077755 S74B-L104B 0.113749002616807 L73B-G99B 0.113626231763737 S12B-D82B 0.109880796964754 V19B-T102B 0.10888369687569 S7B-Q89B 0.10644043045443 S117A-T122A 0.104360051240359 A9B-A84B 0.10433607308949 Q6B-F98B 0.103434633863122 R18B-E105B 0.101183972019568 I10B-G99B 0.100408660537953 T5B-S100B 0.0995760327870174 A9B-G101B 0.0995031325267588 L73B-L104B 0.0992529336373464 V116A-T122A 0.0990022996174895 S12B-A84B 0.0979537689176251 Y87B-L104B 0.0971483688457935 N85B-L104B 0.0959938003237881 Y87B-K103B 0.0948453401986886 V116A-T121A 0.0942080998342938 P8B-S74B 0.0938739803959141 S7B-L104B 0.0900237869356282 S74B-D82B 0.0893910582125275 A9B-C23B 0.0876819261221054 S7B-T72B 0.0875715078935828 F105A-Q89B 0.0866501996968214 T115A-K120A 0.085516892193811 A106A-Q89B 0.0822610689944654 I75B-E105B 0.079852057435331 N76B-L104B 0.0792349876602167 Y104A-F98B 0.0777945802922311 S12B-R18B 0.0746251995262803 T5B-C23B 0.0745930415244791 I10B-S22B 0.0732907735881216 L11B-C23B 0.0728205207753012 V13B-N76B 0.0724258750069333 S20B-C88B 0.0719734193432191 S20B-D70B 0.0706913631704136 R18B-T72B 0.0691757062446254 F71B-F98B 0.0686427970915293 S74B-T102B 0.0682202883077023 Q6B-S74B 0.0681609141252562 Y86B-E105B 0.067286997220822 S7B-V19B 0.0623902587824707 I10B-I75B 0.0613114080321582 I10B-S100B 0.0597790352518124 S7B-N85B 0.0591293578037542 F71B-T102B 0.0584466572455398 A84B-G99B 0.0583141946730714 S20B-I83B 0.0576879119228852 R18B-L104B 0.0575241054323379 I10B-N85B 0.0573649320863883 L73B-F98B 0.0561158014707832 I10B-S20B 0.0557031005871859 C23B-L73B 0.055541211484087 F21B-K103B 0.0547189860532269 Y87B-S100B 0.0545917152521227 R18B-D82B 0.0524310691017829 I10B-I83B 0.0521715038621808 S22B-K103B 0.0518412066685121 N85B-G99B 0.0513932704240583 L11B-D82B 0.0499540022148244 D70B-Q89B 0.0487867879954071 Q6B-S12B 0.0487021720219341 S20B-D82B 0.0473934228473946 A9B-K103B 0.0473760584500784 A9B-S20B 0.0465421288352506 F21B-A84B 0.0455630902815845 V19B-N85B 0.0446291666216414 F21B-D70B 0.0440631368108946 S74B-I83B 0.0424235524160004 S20B-G101B 0.040972180805646 F21B-E105B 0.040950851413621 C88B-L104B 0.040507294123195 T72B-K103B 0.0401990921832718 T72B-G101B 0.0399186984651996 S20B-N85B 0.0396293796807128 L73B-A84B 0.0382864365077162 I83B-E105B 0.037918759257229 V19B-F71B 0.0372458309638124 L11B-G101B 0.0369943473214782 L11B-T72B 0.0365487598583125 V13B-S74B 0.0360097563980452 A84B-L104B 0.0358307379576073 N85B-E105B 0.0342974779063002 T72B-F98B 0.0339374684447513 S7B-E105B 0.0321989068111472 S22B-L104B 0.0321411076616298 S20B-A84B 0.0316763866402425 F21B-T72B 0.0316468193662771 L11B-S74B 0.0309499684235919 V13B-T102B 0.0294538476144079 P8B-A84B 0.0292664192457925 P8B-V13B 0.0288539200578035 I75B-D82B 0.0285275161758237 S7B-L73B 0.0285107456413849 S74B-E105B 0.0281482508680262 S22B-N85B 0.0270849088978713 V19B-D82B 0.0268878950278424 L73B-D82B 0.0261787349289433 V19B-K103B 0.0254347212226778 S12B-I75B 0.0246393842858605 Q6B-L104B 0.0242531234537582 F21B-I83B 0.0227064452589447 I10B-R18B 0.0221295294463691 T5B-L73B 0.0211990318050952 S20B-I75B 0.0205830200526715 S22B-S100B 0.0201681289841464 S12B-N85B 0.0183429328913228 S12B-Y86B 0.0180683465337328 A9B-I83B 0.0162660451986509 F105A-A110A 0.0157749868898316 L11B-R18B 0.0145696875244337 P8B-G99B 0.0143459067056453 S74B-A84B 0.0142469807465959 Q6B-N85B 0.0132899293352708 T5B-N85B 0.0123227458533073 I10B-T72B 0.0103419386410883 A106A-C88B 0.0102225391640114 T5B-S22B 0.00942624548385096 S74B-N85B 0.00905458610824317 S12B-N76B 0.00696141589384602 A9B-V19B 0.0049573780547556 D70B-C88B 0.00348812227720963 F21B-Q89B 0.00297305740394904 T5B-L11B 0.00263483195981085 L73B-G101B 0.00209005650666549 Y104A-Y86B 0.000952891131558609 L73B-T102B -0.00298395812234098 T5B-S20B -0.00320512857200672 S74B-C88B -0.00332992438411406 A9B-T72B -0.0052117487060066 Q6B-Q89B -0.00605386977515288 I10B-L73B -0.00696427103276598 Q6B-L11B -0.00770661288096179 I10B-C23B -0.00775768208148375 I10B-T102B -0.00792587422720992 A84B-S100B -0.0088543104380312 S12B-G101B -0.00896899346701652 F71B-G101B -0.00899939839862185 D82B-G101B -0.00947868522573492 G99B-L104B -0.0105114070290586 Q6B-L73B -0.0115770093106741 Y86B-G99B -0.0116443006665991 F71B-Y87B -0.0116880575211953 Y104A-G99B -0.0132980635527469 V19B-Y87B -0.0134810171996373 S22B-I75B -0.0136006224880867 Q6B-Y86B -0.0141586315756119 S20B-K103B -0.0146652408651108 V107A-Q89B -0.0166223837112662 T5B-F21B -0.0175344515010991 C88B-S100B -0.0179922931942968 V13B-S22B -0.0191944337031805 A9B-L73B -0.0194189935695608 P8B-F71B -0.0196725570959053 I75B-N85B -0.0208254758270121 A9B-C88B -0.0213177343472783 S7B-S12B -0.02132515998853 V13B-Y86B -0.0215744234399182 L11B-K103B -0.023625321003494 A9B-F21B -0.0241010085569582 Q6B-V19B -0.024238988884095 P8B-S22B -0.0245847375367743 N76B-I83B -0.0265750614388522 I75B-Y87B -0.0276955062719169 T72B-Y87B -0.0277142971611042 F21B-N85B -0.0278817258872039 C23B-N85B -0.0279471057291794 L73B-N85B -0.0296722335556252 V13B-K103B -0.0299996636557225 Q6B-F71B -0.0303467561595785 S12B-V19B -0.0307531765698239 Q89B-S100B -0.0308675016204687 T72B-Y86B -0.0336846613643453 S20B-G99B -0.0346028830113001 S7B-Y87B -0.034785237695889 F105A-C88B -0.0355462088116791 P8B-C23B -0.0370438735372767 W108A-Y87B -0.0375306853178256 I10B-F21B -0.0382618067787299 C23B-Y87B -0.0385962134736295 W108A-T113A -0.0390969294671837 Q6B-G99B -0.0391978912103775 T72B-S100B -0.0415645324061743 Q6B-D70B -0.0419900587669899 S74B-G101B -0.0424928704747554 I75B-Y86B -0.0450530545082737 V114A-T121A -0.0467981896551786 N85B-F98B -0.0471301393207453 P8B-D70B -0.0487926255002072 C23B-K103B -0.050655071777582 Y87B-E105B -0.0509157459182843 I10B-S74B -0.0518152926825888 F21B-S100B -0.0524781541954584 P8B-V19B -0.0526474138533857 F105A-G99B -0.0529830553955527 Q6B-T72B -0.0551544027336339 V13B-N85B -0.0555666854165366 R18B-I83B -0.0561161677172146 V114A-K120A -0.0563297535679155 L73B-Q89B -0.0582948452343244 S7B-K103B -0.0584866923649935 S22B-Y87B -0.0596156193589806 T72B-N85B -0.0609331962901107 V19B-Y86B -0.0616958210255074 L73B-S100B -0.0642928710029551 A9B-Y87B -0.0647600873361482 S20B-E105B -0.065675694777485 T5B-Y87B -0.0679282961901759 V13B-L73B -0.0692073397529738 S20B-F71B -0.0759601673826062 S22B-D70B -0.0784479318904545 V107A-Y87B -0.078666335287465 F71B-S100B -0.0804044917534235 C23B-L104B -0.0831181200687685 L11B-S100B -0.083243426850415 A9B-G99B -0.0856913752402213 P8B-T102B -0.085908422788751 P8B-Y86B -0.0893482309104919 D82B-Y87B -0.0894586650016902 L73B-I83B -0.089541762617749 P8B-Y87B -0.0904100451363608 S22B-Y86B -0.0906982518083232 I75B-A84B -0.090703173464866 I75B-K103B -0.0929957641693884 Q6B-A84B -0.0946840366354231 F71B-Q89B -0.0951505778116246 C88B-G101B -0.0957591443918724 L11B-I75B -0.0963786467287953 Q6B-G101B -0.09684453141965 I10B-D82B -0.0989301422907923 Y86B-S100B -0.100847061735412 D70B-F98B -0.101084569103398 Y86B-T102B -0.103081407867945 G109A-V114A -0.103830057759246 T5B-F98B -0.104118050676675 T72B-L104B -0.104451744665704 A106A-Y87B -0.106400599231665 L11B-N76B -0.107145843607328 W108A-Q89B -0.109102225735062 Y104A-G109A -0.110944815545785 L11B-L73B -0.111678227289859 S74B-Y86B -0.113424357342122 Q89B-G101B -0.113700358173344 S12B-T102B -0.113937360733178 F105A-F98B -0.11522331318284 D70B-G99B -0.115823737334579 C23B-Q89B -0.118141392702129 T5B-D70B -0.118200925158139 F21B-G101B -0.12068587288328 S7B-G99B -0.121191863644656 A9B-F98B -0.127059712213175 F105A-G111A -0.130095304734596 F98B-K103B -0.132995871636615 F21B-Y87B -0.134068300515072 F21B-N76B -0.136036985269145 T5B-Y86B -0.137940309476254 S12B-S20B -0.149212870665925 S22B-G101B -0.149217958419177 S20B-L73B -0.150040161997933 S22B-G99B -0.150055385238444 F105A-Y87B -0.152013043082276 L73B-Y86B -0.152182733965702 S7B-S20B -0.152212553339329 Y104A-Y87B -0.154087907830096 Q6B-S20B -0.157369993408919 P8B-S20B -0.160447286559102 F21B-D82B -0.164213877187012 S7B-F71B -0.165824665911557 V13B-I75B -0.165864586880687 T5B-Q89B -0.166561704695914 V13B-I83B -0.166990448594996 S12B-K103B -0.167676708039743 S20B-T72B -0.167913525761336 Y86B-F98B -0.168077006088461 F21B-F98B -0.169640637703999 C23B-C88B -0.173115619386686 S12B-F21B -0.173798562077535 S20B-Y86B -0.173996320076586 S7B-G101B -0.174464088767299 D82B-K103B -0.174583636932791 F21B-I75B -0.174588007015921 R18B-L73B -0.176011392351442 V19B-L73B -0.178053502363245 L11B-Y86B -0.180709775663037 A84B-T102B -0.180965811808822 F105A-Y86B -0.180976241668574 I10B-Y86B -0.181046166568819 T5B-T102B -0.184683747367798 F21B-F71B -0.185175315386607 T115A-T121A -0.186960898509092 Q6B-S22B -0.192958021504898 I10B-Y87B -0.193165205945958 Q89B-G99B -0.197398760400586 N85B-S100B -0.200123180241043 L11B-S22B -0.201453394651151 D70B-Y87B -0.209097700282376 A9B-Y86B -0.210814608905223 I10B-G101B -0.213069977623435 L73B-Y87B -0.213677507723274 V19B-T72B -0.214022821477451 S12B-I83B -0.214120079811358 A9B-N85B -0.216292718348258 Q6B-K103B -0.21833584895618 A9B-S22B -0.221236327202447 A84B-G101B -0.222563601303352 V19B-S74B -0.224081760262369 S20B-N76B -0.224931080532692 R18B-K103B -0.226180637757105 P8B-G101B -0.227460322338617 S20B-T102B -0.228119521432103 I83B-T102B -0.229620064332763 C23B-Y86B -0.232182798350838 Y104A-C88B -0.233721381889685 S22B-T102B -0.235658593707644 C88B-K103B -0.237266165083804 L73B-C88B -0.242208899385347 L11B-N85B -0.244110900442693 S22B-C88B -0.245825601448186 A9B-L104B -0.25189257407311 S20B-L104B -0.252739649474291 C23B-T72B -0.266017196639926 I75B-L104B -0.267542617977939 A9B-E105B -0.267875193374787 C88B-T102B -0.269188479257569 I10B-A84B -0.269250932067254 T5B-F71B -0.271646996367561 L11B-A84B -0.275246174218697 P8B-K103B -0.276458786524231 P8B-S100B -0.286340358198256 T5B-G99B -0.289365296195303 T72B-C88B -0.29082817748463 C23B-T102B -0.29290499302539 R18B-I75B -0.29924925761609 Q6B-C88B -0.299709569171527 P8B-C88B -0.307301236402321 T5B-C88B -0.308974297964505 A84B-K103B -0.323451894816589 L11B-S20B -0.325431566905873 C23B-G101B -0.326392608025233 F21B-L104B -0.333411827316542 V19B-E105B -0.343310366639119 V13B-S20B -0.343401713245338 S7B-S100B -0.349534592702042 T5B-G101B -0.354412550541447 Y87B-T102B -0.369814862730948 S22B-S74B -0.395633892880129 L11B-I83B -0.40071328901839 V19B-L104B -0.406565141113886 Y86B-K103B -0.408070974885055 T5B-T72B -0.416041268960244 C23B-S100B -0.468838172001466 T72B-T102B -0.474045847845006 F21B-C88B -0.507970029730981 S20B-S74B -0.509167439660545 Q6B-S100B -0.515997767640505 L11B-E105B -0.54482320633461 P8B-L104B -0.561503103590632 R18B-N76B -0.590538960437144 C23B-F98B -0.665482637892953 Y86B-G101B -0.716401066236559 Y87B-G99B -0.797583424087679