[Thu Aug 25 00:19:09 2016] >Input file: TM3UPGATG.pdb >TM segments: A15-23_A31-40_A54-66_A69-79_A87-113_A144-151_A177-183_A221-227_A260-266_A303-310 MAIDEN score = 48.1409 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 ----------- ---------------- Y35A-Q61A 10 V17A-M36A 10 G39A-E57A 10 H21A-D32A 10 G79A-D89A 10 I60A-S71A 1.50263936990216 Y58A-T73A 1.11916881752362 W56A-A76A 1.09445098418588 T101A-Y226A 1.06451264856406 K16A-M36A 1.03272525053975 W56A-F77A 1.01984365327875 L20A-T34A 0.965021064770799 W103A-Q225A 0.959651810261637 M36A-I60A 0.906461662804614 D99A-A181A 0.841787934658826 V75A-R92A 0.826910861171582 P108A-P261A 0.794934334778074 W56A-V75A 0.784656281158622 Y58A-V75A 0.767854172391451 I60A-W72A 0.765835613131561 E109A-D307A 0.745788108504053 Q55A-V75A 0.737514242789616 W103A-A224A 0.736578564980751 V100A-Q225A 0.731990847920469 V75A-N93A 0.683106224394205 L107A-D307A 0.660670139175656 H21A-T34A 0.595777886044911 V75A-Y94A 0.586803853515615 F110A-K309A 0.584086776145416 I38A-Y58A 0.57849459474946 F40A-W56A 0.574569393527434 V75A-G91A 0.574012262330812 F77A-N93A 0.566487000766905 Q64A-D70A 0.548133461431161 G79A-S87A 0.543911791968201 E109A-V306A 0.540483606635645 D105A-F110A 0.530548567246309 F23A-D32A 0.518832667690594 V96A-L147A 0.514464024821146 E109A-P261A 0.496460338504164 Q64A-N69A 0.478925785795108 F110A-D307A 0.478221916477251 E57A-A76A 0.47709227781821 I60A-N69A 0.473373245122128 Y98A-Q150A 0.463496995683311 F40A-E57A 0.452757698201129 H21A-D307A 0.445021593232646 I38A-R74A 0.437567569037906 K16A-Q61A 0.436477888200813 V17A-Y35A 0.435713261926368 I38A-Q59A 0.434956371925871 Q61A-N69A 0.434551845830688 G39A-W56A 0.424097648421153 V96A-A181A 0.419486057526005 T101A-G112A 0.41441335131764 T104A-G111A 0.413023956502076 R74A-N93A 0.40616814977926 Y35A-Q59A 0.39365705054214 S102A-G112A 0.380532379700766 G95A-Q150A 0.372082257358021 G39A-Q55A 0.369690506257148 G95A-Q148A 0.367900103134332 Y98A-D105A 0.366298919154884 V263A-Y305A 0.3564536434891 Y22A-D307A 0.354427846763434 G15A-I38A 0.354245660212658 V96A-T183A 0.350982314910108 L107A-A264A 0.348287459877371 P108A-K309A 0.346961457830653 T34A-N63A 0.345281790166715 V17A-Y305A 0.345124678933828 V106A-G112A 0.343448155740699 Y94A-D99A 0.341397640929153 Q59A-T73A 0.341301743902269 V75A-Y98A 0.33712530908323 Y98A-G111A 0.336611346599398 Y58A-S71A 0.335528508494024 W103A-A223A 0.334181605861868 D144A-V178A 0.331715188196626 V96A-A146A 0.330198014154137 V17A-T34A 0.329883195685132 Y22A-Q33A 0.328501654587805 V106A-D113A 0.327218495257716 Y35A-D70A 0.326534773679381 Q33A-G62A 0.322614447048224 G15A-M36A 0.318987873583958 K16A-Y35A 0.312848861340592 Q59A-W72A 0.305372147503879 M36A-G62A 0.299434475281083 V106A-G111A 0.298693147347275 Y35A-N63A 0.298457182930915 G111A-Y226A 0.296553442283392 G111A-S262A 0.2951528071709 Y94A-G112A 0.290851763689985 D99A-V178A 0.290225454334985 P108A-Y265A 0.287044482296958 D99A-F145A 0.286732449227321 L107A-V263A 0.286600573860802 F23A-G31A 0.281462469029561 E109A-T304A 0.280809895915679 A78A-G91A 0.280114443486065 V75A-D89A 0.278369323639652 D99A-V106A 0.275782823296082 D144A-G179A 0.272543494630685 F23A-E109A 0.270769332315268 K16A-I38A 0.269545632693271 T34A-E109A 0.269304426583421 Y98A-D113A 0.267363522378554 V17A-D32A 0.266802835981757 A146A-G179A 0.26583508372238 Q61A-E66A 0.264237031312098 I38A-W56A 0.263781313588286 T73A-R92A 0.261348465145386 W103A-G180A 0.260755833073304 G179A-Q225A 0.258757260915814 P108A-Y305A 0.258069696910273 Y35A-I60A 0.256634237716786 R74A-Y94A 0.253500049808679 S102A-A181A 0.252335579967868 P108A-Y221A 0.25167505673744 L20A-Y35A 0.251059132109954 D99A-D113A 0.249065022211431 S177A-Y221A 0.248854997030242 D18A-D70A 0.245974857108876 D32A-D307A 0.245101552153213 D99A-A146A 0.243398032758255 M36A-R74A 0.242693809465638 Q55A-N93A 0.240670174342223 F40A-Q59A 0.240571456929398 R37A-I60A 0.237967548126834 I60A-R74A 0.237694402771716 Q33A-F110A 0.237047114065983 D105A-Y265A 0.235426492042152 G79A-F88A 0.233712908279349 N93A-Q150A 0.232635063029996 D105A-Y226A 0.230909233966595 G39A-W72A 0.227394800989372 T104A-Q225A 0.227090064081796 Y221A-A264A 0.224855366231517 G19A-D32A 0.224730792364884 D105A-D307A 0.224379925171603 G62A-D70A 0.220916081917691 G15A-W56A 0.219446703198974 Y98A-S227A 0.217500265629097 Y35A-G62A 0.214004181700393 G111A-Q225A 0.209690007698106 D18A-D307A 0.208411604204892 F23A-V306A 0.20632330717124 H21A-T304A 0.205748090030532 T104A-E109A 0.205530955653849 E109A-Y305A 0.202586591672349 G111A-D307A 0.199558264309006 K16A-W56A 0.19870159025621 Y58A-N93A 0.198116110814041 A264A-D307A 0.197347819577442 D105A-Y221A 0.197239869352967 P108A-V306A 0.196701730476721 T34A-Q61A 0.194898910280343 D113A-Y265A 0.194355354959502 T97A-I182A 0.193463859258237 R37A-Q64A 0.189660651928021 D32A-D70A 0.189169392991256 A223A-S262A 0.187050368974485 R37A-V75A 0.18685125075063 Y22A-Y35A 0.186553492141989 E57A-R92A 0.185842077922502 G54A-D89A 0.185686136714468 Y35A-E109A 0.18371739354262 L107A-S262A 0.183072954641791 R37A-Q61A 0.182186718390809 D113A-K309A 0.181737108443508 M36A-V75A 0.180821570063737 M36A-S303A 0.18022568047809 T34A-D70A 0.179737323529902 E109A-K309A 0.178458513990077 T101A-Q225A 0.17842180928434 S102A-Y221A 0.177324375425339 Q33A-E109A 0.176479441831536 G112A-A224A 0.174652150146281 D99A-G179A 0.173720874023513 M36A-N69A 0.173405458651964 S262A-S303A 0.172996547104749 Q61A-D70A 0.172927107068359 D105A-R260A 0.172076558647741 Y98A-A146A 0.171286703919543 E57A-A78A 0.170373652861095 D105A-G112A 0.168556092713443 D89A-Y94A 0.16612937439549 Y58A-N69A 0.165601145540758 G54A-N93A 0.163117860455117 Y35A-R74A 0.162337927037296 Q33A-Y305A 0.160175532352484 H21A-Y305A 0.158569817635061 S102A-G180A 0.157531910360537 G19A-G31A 0.157067207699972 Y22A-P108A 0.156558183914382 P108A-S262A 0.155058157143971 H21A-Y35A 0.154927199161145 D99A-T183A 0.154650571197058 L20A-E109A 0.154010293919289 V100A-A181A 0.15339471413211 T97A-D105A 0.152855605433165 G19A-Q64A 0.15261490302492 G179A-S227A 0.150421199842864 G54A-A76A 0.14998500018113 G19A-S303A 0.149725823408787 G111A-L266A 0.149674032081603 G79A-N93A 0.149191079723408 F145A-S177A 0.149095763602641 V100A-F145A 0.148470919009509 F40A-A78A 0.148413508099844 Y35A-E57A 0.147408033388814 D18A-M36A 0.146668385899386 W72A-R92A 0.146113081687098 Y221A-Y265A 0.144705769021519 Y90A-V96A 0.144398643074362 Y58A-W72A 0.144038308332586 R37A-Q55A 0.14400484644741 L20A-Y308A 0.142901276528164 R37A-N63A 0.142880221925484 D18A-N63A 0.142743789538029 Q59A-R74A 0.141510596265957 G112A-A264A 0.141444510369064 T34A-T304A 0.140810333304203 W56A-D89A 0.140520410083277 T104A-S262A 0.139683582527117 Y22A-I310A 0.139515289323102 G19A-Q33A 0.137996503841239 K16A-F40A 0.136748136254804 E109A-Y308A 0.135540088362144 G91A-Q148A 0.134743497661967 E57A-W72A 0.133476264540471 N93A-A146A 0.133369001394096 D89A-A146A 0.132106999101596 G54A-S87A 0.13166936687196 G31A-G62A 0.130123359515389 Y98A-Y149A 0.129363144661935 Y58A-Y94A 0.127852308710757 N93A-Q148A 0.127141191057409 L222A-L266A 0.126359098914472 E109A-I310A 0.126098007189292 R260A-Y305A 0.125623758838705 E57A-T73A 0.1255144750273 H21A-Q61A 0.124811478369339 S87A-D144A 0.123919110301886 E57A-Y94A 0.123529062773025 K16A-G62A 0.12311925891393 I182A-Q225A 0.122693222679702 H21A-Q64A 0.122327231686359 D32A-T65A 0.121107583504053 T97A-W103A 0.120791793259658 S102A-L222A 0.120514185785718 D105A-S262A 0.119657829006642 G39A-G54A 0.119226937674185 G151A-T183A 0.118760705380697 W103A-Y226A 0.117703381885015 Q59A-R92A 0.117313284707311 G19A-E109A 0.117121329694114 I60A-E66A 0.116574207738652 F77A-R92A 0.115796735150274 K16A-R37A 0.114910450079101 D144A-A181A 0.11487052844037 Q59A-D70A 0.1137752179628 R260A-D307A 0.11282744185049 G39A-F77A 0.111842897001116 V96A-T104A 0.11171632999602 G91A-V96A 0.110402620399186 T101A-S177A 0.110355303218037 S102A-V178A 0.110129478455277 G39A-Y94A 0.109328532506276 G15A-R74A 0.108708718979728 L20A-N63A 0.108443554526303 A76A-G95A 0.106647406437158 D144A-G180A 0.106130010723181 F88A-Y94A 0.106092124307365 G19A-T65A 0.106051131483832 V100A-G112A 0.105766024152423 D113A-L266A 0.105045774626866 P108A-A223A 0.104392359833295 D105A-K309A 0.103472290486397 V100A-L147A 0.102603948510844 V96A-G151A 0.102085867821047 T104A-G179A 0.100276862860217 T97A-G112A 0.0997919498103865 G95A-G179A 0.0995476170309173 L107A-Y221A 0.0981223590783755 N93A-L147A 0.0977058045663586 G111A-A224A 0.0972723974780791 Y94A-A146A 0.09688724757282 V17A-T304A 0.0966782163513291 Y94A-A181A 0.0962153638484469 L20A-P108A 0.0958912242339739 A78A-Y94A 0.0953303889582284 V100A-D144A 0.0942581268053102 A146A-T183A 0.094189947764233 Y98A-A224A 0.0941698645886966 D144A-S177A 0.0939411254942959 S227A-L266A 0.093390911867941 Y98A-F145A 0.0931922745489508 L107A-L222A 0.0924404447278282 I182A-S227A 0.0924367205914933 T101A-Y221A 0.0903387906878605 V17A-G62A 0.0899555566517174 D99A-S177A 0.0890677279441254 G111A-V263A 0.0888697340729649 V96A-G179A 0.0888684477784079 A224A-S262A 0.0882409089922365 Y94A-V100A 0.0876837846469662 V106A-T304A 0.0873305370635569 P108A-D113A 0.0871147439239941 G95A-G180A 0.0868706978250242 G31A-T65A 0.0866720474012226 M36A-T73A 0.0865258698177023 T183A-Y226A 0.0864473813437705 D18A-V306A 0.0862412500369238 Q150A-I182A 0.0850812432963228 S262A-T304A 0.0850409177102471 T65A-S71A 0.0842605208000966 T34A-Y305A 0.0840264684848322 A146A-V178A 0.0839104213531665 T97A-G151A 0.0836189920864294 L20A-L107A 0.0812790616791537 W103A-G111A 0.0812611303943616 G112A-S262A 0.0794534305557903 W103A-L222A 0.0782920264902578 T104A-L266A 0.0782619322575897 H21A-Y308A 0.0782227042507063 D18A-F110A 0.0775530239658857 P261A-V306A 0.0763442331610136 W103A-D113A 0.0761067569055316 V100A-T183A 0.0757501345627876 Y98A-Q148A 0.0752148527734319 G111A-V306A 0.0750980324470925 W56A-G79A 0.0749857845146025 T101A-V178A 0.0749554746602863 D18A-P108A 0.0749055293678522 M36A-Q64A 0.0748547445821397 Y35A-T73A 0.0747551652628586 Q33A-P108A 0.0741561135953432 R260A-S303A 0.0734868498108586 Y94A-G151A 0.0720920056694201 Y149A-A181A 0.0720841297817545 G95A-G151A 0.0714148171323323 L20A-S303A 0.0713728774029181 G95A-G112A 0.0713108692745674 Y22A-Y308A 0.0711126918121852 S87A-D99A 0.0707459829723946 A223A-L266A 0.0706614776241565 Q59A-N69A 0.0702592664240276 F110A-V263A 0.0700241332121196 G112A-S227A 0.068974227015655 D18A-I60A 0.0686992496634369 W103A-S227A 0.0683430903051736 K16A-T304A 0.0682765204850826 Q55A-F88A 0.0681906765944396 T104A-V263A 0.0678039329559376 I38A-G62A 0.0669432377691734 Q55A-S87A 0.0668716607249418 N93A-D99A 0.0666136105500472 A223A-V263A 0.0661899071502572 Y221A-R260A 0.0660421832504952 T97A-F145A 0.0658829792435034 F110A-P261A 0.0652509087354183 T104A-S177A 0.0650276424242229 F110A-T304A 0.0649971477406119 G15A-V75A 0.0648452390290171 Q59A-A76A 0.0642972263481447 I60A-A76A 0.0627650383161376 R37A-D70A 0.0626294258708548 G95A-F145A 0.0618740781897027 P108A-T304A 0.0616646342075904 Y22A-F110A 0.0614700420911234 L20A-I60A 0.0607865945205024 L107A-Q225A 0.0607455423603644 T101A-F145A 0.0607344361035935 V106A-Y305A 0.060555928336183 S102A-E109A 0.0601723923112996 L147A-G180A 0.0591524368582904 G39A-R92A 0.0583727901661208 V178A-Y221A 0.0583269509815088 F110A-V306A 0.0577442122018397 G19A-P108A 0.0576638011961808 M36A-D70A 0.0576307361602888 I38A-I60A 0.0566999242327872 V106A-P261A 0.0566884209863635 G111A-I310A 0.0566638601766014 G95A-S227A 0.0559585718162827 E109A-Y265A 0.0550984068744169 E57A-G91A 0.0541250429672692 Y35A-N69A 0.0535660561292883 Y35A-T304A 0.0525355479443812 Y98A-V178A 0.0521335648690338 Q61A-T73A 0.0519453798166642 F77A-G151A 0.0518654043702393 A181A-Q225A 0.0512048069677381 A76A-F88A 0.0505574462456044 Y35A-Y58A 0.0503933569977284 P261A-S303A 0.0501644980863993 Q148A-G180A 0.0501591187675512 Q225A-L266A 0.0499706479037965 Y90A-Y149A 0.0492299414568117 D113A-S227A 0.0482377363672929 H21A-F110A 0.0477392450410408 T34A-N69A 0.0474671806130029 G31A-Q64A 0.0461362628872104 G39A-S71A 0.0458792941736781 D99A-S227A 0.0457370198492658 Y35A-S303A 0.045461021919734 S262A-I310A 0.0449240445188006 G111A-A223A 0.0438926988036581 G31A-V306A 0.0436311523554189 V96A-T101A 0.042843394004267 D18A-S71A 0.042271637019339 T73A-G91A 0.0421582753328078 Y22A-D32A 0.0415277867739232 T34A-S71A 0.0410864371373387 Q33A-T304A 0.0401423468921893 Y98A-G180A 0.0397021220906915 V100A-L222A 0.038401540820777 K16A-R74A 0.0380374774248935 V106A-S262A 0.0380016001622394 F77A-Q150A 0.037470117414749 G180A-A224A 0.0367323071789034 T104A-A224A 0.0363217762700447 G54A-R74A 0.0362402450933628 T73A-G95A 0.0361236685943114 F23A-T34A 0.0349690267467082 R37A-W56A 0.0344572674225296 L107A-I310A 0.0341242704572613 W56A-R74A 0.0330128438938191 Y22A-G111A 0.0328556173367556 F40A-W72A 0.0327287628901507 D113A-Q225A 0.0322359137592096 W72A-N93A 0.0318464158159548 K16A-T73A 0.0317632581088527 F88A-Q148A 0.0315366864129656 V106A-V306A 0.0303189655608502 W56A-N93A 0.029895374762257 F23A-P108A 0.0296242513133103 M36A-E57A 0.0278073613295273 S102A-F110A 0.0274713234707264 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