[Fri Aug 26 17:22:33 2016] >Input file: TMA2AJB2S1D.pdb >TM segments: A4-56_A60-87 MAIDEN score = -20.3720 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 ----------- ---------------- E21A-C26A 1.18553790149373 A15A-E21A 0.952734905222288 F56A-Q61A 0.679919068313899 V66A-G71A 0.679488354401484 L6A-D11A 0.667786428258987 V60A-L65A 0.583575290857958 M81A-C86A 0.530968631021063 A14A-E22A 0.452542541509848 R8A-V13A 0.436025234564798 D11A-E21A 0.417880420317578 L49A-R54A 0.414753133351505 A14A-L20A 0.412738816539899 S67A-S72A 0.403002326394455 V78A-C83A 0.39651453343178 L48A-K53A 0.39575403252593 R77A-C83A 0.389558374026187 R54A-V60A 0.388170537634868 L49A-S63A 0.38362879817444 R77A-C86A 0.37827238504901 F46A-S63A 0.376130288636864 A15A-E22A 0.356309973864983 E21A-C83A 0.354888871322392 C26A-C86A 0.349237321950046 K33A-C86A 0.327307803661838 C26A-E82A 0.325741645746747 C26A-M32A 0.306360241087626 T37A-T42A 0.298151733157214 L65A-A70A 0.289146485406705 C26A-K85A 0.285963597290625 R16A-E21A 0.279045371968777 Q61A-V66A 0.272698846255127 A70A-S75A 0.261138606027929 P18A-Q27A 0.259920177378746 S28A-C86A 0.252053920842185 G5A-D11A 0.242785337195745 M50A-S63A 0.239800080268552 M50A-K55A 0.239799009834479 F36A-G43A 0.23854119407948 D10A-H17A 0.230143557682314 H29A-C83A 0.22539376798175 G19A-Q27A 0.206626312439701 C26A-C83A 0.200000690932398 K53A-S67A 0.199329712740652 R54A-Q61A 0.194420139781582 H29A-T37A 0.193841714861196 T42A-L48A 0.192775271353528 S72A-M81A 0.185657047664082 M50A-F64A 0.184933073801374 F31A-E82A 0.183843127731607 M32A-S87A 0.178361787642865 F31A-C83A 0.17527214288772 T37A-T45A 0.173785445503018 A15A-F23A 0.172698342906642 A14A-G19A 0.170872224593114 V35A-V78A 0.168677419628603 P18A-C26A 0.168655304940667 H17A-C26A 0.168508588391368 G34A-G43A 0.167715761514176 A12A-E22A 0.166361952253514 T37A-A44A 0.165760400171808 G43A-A68A 0.165572889404758 L49A-W62A 0.158134939190463 D10A-A15A 0.157325898199702 H29A-K85A 0.157313398829918 L48A-W62A 0.157078191080585 A14A-A25A 0.156828917365324 C26A-F31A 0.154895942558943 A70A-T79A 0.15056328420911 S67A-Y76A 0.150148165856393 K33A-G41A 0.145916996373323 K53A-W62A 0.143248529650775 R16A-E22A 0.141519694374056 A15A-A25A 0.136773181969776 A74A-T79A 0.134995418354729 P18A-F23A 0.133829952676269 C26A-S87A 0.133690370699412 Q27A-C86A 0.133118112784238 V66A-S75A 0.132605399834315 L49A-Q61A 0.131106014082293 G47A-Q61A 0.130955631641151 G5A-A12A 0.128268792691816 V9A-H17A 0.128254205548354 G71A-R77A 0.125825604803045 K33A-E82A 0.125502466878678 H17A-A24A 0.12470174596302 A25A-E82A 0.12061945258577 M32A-E82A 0.119518219302128 A44A-S67A 0.117566027622821 D11A-A25A 0.117253794193783 T40A-S67A 0.117236920287365 F46A-W62A 0.116065446067641 S63A-A74A 0.1154432176954 D10A-P18A 0.115146829894342 L49A-S67A 0.113473145917062 T40A-G71A 0.112616227648332 A70A-S80A 0.112453516682508 E82A-S87A 0.112155705730793 V39A-T45A 0.110918887678612 S7A-C86A 0.108062396117774 K55A-S63A 0.106844543093358 A12A-G19A 0.106624122749081 K33A-F38A 0.105983598668322 A14A-C86A 0.105662785895301 A14A-S87A 0.105086778603094 V39A-G71A 0.105069040564384 V73A-M81A 0.103503273460976 F51A-F64A 0.101843517186631 C26A-F36A 0.101274904628946 G71A-T79A 0.100001475240884 T40A-G47A 0.0988460118186427 H29A-E82A 0.0983987095510055 W62A-S67A 0.098037948053888 S28A-T79A 0.0970695547001952 F23A-H29A 0.0967401614683606 D11A-A24A 0.0952376280583223 I52A-Q61A 0.0951626534364873 I69A-A74A 0.0948481747957057 M32A-G41A 0.0946305235830947 S7A-C83A 0.0896028810502831 T79A-S87A 0.0890905072311678 V13A-A24A 0.0887071067059142 A12A-L20A 0.0869312559462712 M32A-S80A 0.0868662191124514 H17A-A25A 0.0860616809079255 V35A-G43A 0.0849832567651572 S75A-C86A 0.0840163889408322 M32A-M81A 0.0832768525475973 A44A-S63A 0.0831627225586706 A74A-C83A 0.0829322348645096 A15A-C26A 0.0827623342484863 A24A-K85A 0.0827148843904073 S75A-C83A 0.0824356039523231 A24A-C83A 0.0816094021615692 G41A-G47A 0.0812311633687712 F46A-G71A 0.0812142270548892 F23A-C86A 0.0791614906057307 R8A-S87A 0.0774235875039089 S28A-T37A 0.077304589098474 V35A-T42A 0.0768831285393814 R8A-Q84A 0.0766111942107632 G43A-G71A 0.0753498313931313 T45A-S67A 0.0751721518677648 H29A-S87A 0.0732119666111375 S28A-S80A 0.0726646987206605 Y76A-C86A 0.0724084869005708 E21A-H29A 0.0716272584282911 A68A-Y76A 0.0708781369508085 F51A-Q61A 0.0704998724395764 E22A-M32A 0.0684585764575689 T37A-F46A 0.0682294847607039 V13A-E22A 0.0677602376509339 F46A-V66A 0.0674668269949086 M32A-T79A 0.0659510072768209 A70A-V78A 0.0659074722583797 L4A-S87A 0.0656112646543545 A44A-R54A 0.0645813623757278 K55A-Q61A 0.0632691686047642 V39A-A44A 0.0630757271159585 V13A-A25A 0.0628901521794756 D10A-S87A 0.0622730283049837 L20A-A30A 0.0619633501524479 I52A-V66A 0.061332055524348 T40A-F64A 0.0583896176791363 L49A-F64A 0.0573440431889525 G5A-A14A 0.0550003478199768 R77A-Q84A 0.0533286110007234 A15A-A24A 0.0531370008967604 C26A-V35A 0.0527770696622643 G47A-S67A 0.051404984721888 A14A-C26A 0.051139950200457 S28A-Q84A 0.0500762561954877 G43A-S67A 0.0499564319178103 G19A-H29A 0.0498236785449249 M32A-T40A 0.049464905455801 V73A-C83A 0.0483291473345231 L20A-S28A 0.0470845289933053 F23A-M32A 0.0468371327805621 F31A-K85A 0.0462068791995764 R8A-C83A 0.0449744568175223 G43A-S63A 0.0445798762510514 K33A-T79A 0.0428294572876601 S75A-Q84A 0.0401003356317113 M32A-S75A 0.0390541227925632 V78A-S87A 0.0366567365861314 F36A-E82A 0.0331886503795169 L65A-A74A 0.0330321092327393 M50A-L65A 0.0314528264557694 I69A-V78A 0.0312284435429113 S28A-M81A 0.0305509911659407 F64A-G71A 0.0304057293152828 E22A-S87A 0.0285632055186014 T40A-A68A 0.027688701431603 R77A-K85A 0.0271875389464178 F46A-V60A 0.0262201441045979 Q61A-G71A 0.0259192554051655 F31A-C86A 0.0246532411396473 G43A-F51A 0.0241502529933992 K53A-V66A 0.0236857104771262 T40A-A74A 0.023407825737372 R8A-C86A 0.0232724912710411 V60A-I69A 0.0223789615942511 V35A-E82A 0.0221858966720932 F36A-G71A 0.0211380735148423 S7A-Q84A 0.0210849597726412 S7A-A15A 0.020670181715448 L4A-Q84A 0.0199197830915185 A30A-C86A 0.0191846999154279 F56A-L65A 0.0191745917585946 R16A-A24A 0.0189431246571559 F36A-S75A 0.0179337810609612 E21A-S87A 0.0173639428181032 I69A-R77A 0.0171521422701257 G71A-M81A 0.0169425457958399 T42A-S67A 0.0160424789289708 V9A-E21A 0.0154103086632479 Q61A-I69A 0.0141252790824655 L6A-A14A 0.0123456325489997 K55A-F64A 0.0122919292820294 L6A-A15A 0.0121699396684249 V9A-L20A 0.0120840846068533 A25A-C83A 0.0103059754041763 C26A-G34A 0.0102310486771251 F36A-A44A 0.00902997369356395 F46A-R54A 0.00890276398730783 I69A-S75A 0.00706403388408905 S63A-S72A 0.00668443539169583 G71A-S80A 0.00585278668066591 S28A-E82A 0.00568880324958931 A12A-A24A 0.00564309575377298 Q27A-K85A 0.0052524260316833 V60A-A70A 0.00516062679565898 D11A-F23A 0.00447277297854543 L49A-V60A 0.00442086913212858 S80A-S87A 0.00235321328470217 Q27A-S87A 0.00219964793840965 K53A-V60A 0.000933144288568499 E22A-S28A 0.000657973682689938 Q27A-E82A -0.000530702233976665 F31A-G41A -0.000671741209699928 F64A-I69A -0.000847456436035898 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