[Mon Aug 29 17:11:04 2016] >Input file: TMD1K070M6G.pdb >TM segments: 590-596_ 626-651 MAIDEN score = -1.8022 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 ----------- ---------------- I644 -P650 1.35644923491343 I644 -L651 0.88417022472075 L643 -P650 0.731799413350565 R630 -N636 0.622008085602852 A635 -F640 0.607370526485566 L643 -K649 0.571946343081086 L595 -S626 0.560895588684604 L643 -L651 0.426931997189335 Q629 -K649 0.405397491185798 G634 -Y641 0.355909646641973 Q629 -P650 0.347593646972938 K632 -P650 0.345599179137534 K632 -A637 0.342200719744009 S631 -A637 0.312111739864943 Y627 -K632 0.29559536323885 D645 -L651 0.257258687913695 Q629 -G648 0.251288046523741 F633 -Q638 0.235846894538857 Y627 -F640 0.233313372793544 S626 -Q638 0.232612053380219 S626 -P650 0.202595054678181 S626 -P639 0.201390568431826 V642 -P650 0.19965713801662 Y590 -D645 0.189238647768291 I644 -K649 0.182943654014091 T594 -F640 0.182316857084107 L628 -N636 0.180830334053057 S626 -Y641 0.180810154446601 Y590 -G648 0.179171935119345 S626 -G634 0.168147219195836 Y627 -P639 0.167694952427579 R630 -P650 0.166568455143866 Q629 -G634 0.157443196234481 S626 -A635 0.153608880457844 Y590 -P650 0.142214125430129 V591 -Y641 0.137847358936668 S626 -V642 0.133017252365579 Y627 -N636 0.119744937060294 Y627 -A637 0.117617848112842 N636 -Y641 0.11346092537025 D645 -P650 0.111066479306792 I593 -G648 0.105621288916899 F596 -Q629 0.104989725777714 L592 -D645 0.104041923033101 F596 -S626 0.0999047537035427 F596 -Y627 0.0939613509050923 S631 -V642 0.0934145255649041 L628 -I644 0.0910369117718413 I593 -Q629 0.0899035650060247 S626 -A637 0.0871275252757848 T594 -Y627 0.0869303130675914 Q629 -A635 0.0848222952166386 L643 -G648 0.0824837381829071 L592 -N646 0.0812244129344997 L628 -V642 0.0751041317256781 F596 -Y641 0.0744341087006717 A637 -V642 0.0709798814668927 F633 -K649 0.069544924374662 Q629 -A637 0.0692044182918663 Q629 -Y641 0.0691110802666879 Y627 -Q638 0.0613889367443239 T594 -Q629 0.060391344334402 K632 -F640 0.055717466184622 L595 -R630 0.052582189251356 Y590 -V642 0.0500877486776761 Q629 -N636 0.0439921475822267 L592 -F640 0.0420438571943205 F633 -G648 0.0395201047565674 Y627 -G634 0.0392518862924165 Y627 -V642 0.0386417619478019 L595 -P650 0.0367843795379148 S626 -N636 0.0367671023733851 Y641 -L651 0.0356435619628792 S631 -P639 0.032892370163907 L595 -Y641 0.0322861900289975 R630 -P639 0.03187369828467 K632 -V642 0.0282233544956154 G634 -L643 0.0269176914251397 F633 -F640 0.0207071453754724 V591 -G648 0.0161680996643634 Y641 -K649 0.0132187276818662 V642 -L651 0.0121563118285373 S631 -F640 0.00995731035868003 Q629 -I644 0.00584195836396439 T594 -R630 0.00492645537083281 K632 -G648 0.00266811092751329 S631 -Q638 0.00195302832426281 N636 -V642 0.00101806245432901 L595 -P639 -0.00068000268629298 K632 -Y641 -0.000781186231000319 A635 -L643 -0.0040974967436096 V642 -G648 -0.00558935937222671 L592 -P650 -0.0128423418308063 A635 -P650 -0.0137423934738985 I593 -S626 -0.014436976628584 Y627 -Y641 -0.0166280710499258 L595 -G648 -0.0195048906159845 L595 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-0.0822371070130273 L628 -F640 -0.0840250164123235 L592 -G648 -0.08460930162504 T594 -L643 -0.0851576932866127 L628 -Q638 -0.0859510841611097 S626 -K632 -0.0877464365064986 V591 -V642 -0.0880276818563472 L628 -G648 -0.0892718624631055 V591 -N646 -0.0898903596078888 Q629 -L651 -0.0949565357975202 L595 -I644 -0.0952771211002213 I593 -P650 -0.0955891184989519 F633 -P639 -0.0978396047127759 S626 -L643 -0.0999853996167674 G634 -V642 -0.102808612800716 F596 -L628 -0.105147875205796 F633 -I644 -0.107475842287463 T594 -Y641 -0.109139518147816 Q629 -Q638 -0.113386021665563 L595 -F633 -0.114413927447081 I593 -K649 -0.114588896578037 Y590 -E647 -0.114723258206665 F596 -V642 -0.118338913427095 S626 -F640 -0.119393061722664 S631 -N636 -0.124902392729891 L628 -A637 -0.129356507540187 L595 -D645 -0.132809427103918 I593 -P639 -0.133514957512636 Y590 -K649 -0.137993520597347 F633 -L651 -0.140996931487237 V591 -F596 -0.141558027461626 L628 -K649 -0.143820305097254 R630 -I644 -0.145252532684272 Y590 -L643 -0.146285185781487 Y641 -P650 -0.148319446419857 R630 -Q638 -0.148913617946599 L628 -P650 -0.15135634837239 K632 -L651 -0.151644688702936 A635 -V642 -0.153615296372969 L595 -F640 -0.15512379783946 F633 -Y641 -0.157226975227613 V642 -E647 -0.157573713768659 Y627 -F633 -0.159769686055973 R630 -V642 -0.163229763498244 F633 -P650 -0.165763403835849 V591 -K649 -0.166763061706727 Y590 -I644 -0.167202086092007 L628 -A635 -0.168417532292876 S631 -P650 -0.169567864008998 Y590 -L651 -0.170749174220629 F640 -P650 -0.171663996204414 L592 -V642 -0.173891136294396 Y590 -L595 -0.174223450125979 L592 -Y641 -0.175819523568422 L595 -L643 -0.181003281766484 I593 -Y641 -0.182631037453783 V642 -K649 -0.182704827531381 V591 -E647 -0.18968105138146 I593 -I644 -0.191624384006337 K632 -K649 -0.196501873275912 Q629 -V642 -0.197752436357355 K632 -Q638 -0.204911247612257 L595 -K632 -0.205290929900113 N646 -L651 -0.208611183798399 R630 -K649 -0.224436501230859 Q629 -F640 -0.228744088605468 T594 -S626 -0.234287124282361 T594 -V642 -0.24258914994631 Y590 -N646 -0.242837899855118 L592 -I644 -0.260121265421921 V591 -D645 -0.267758719182198 L628 -G634 -0.271969255040794 L595 -Q629 -0.288128935624592 L595 -V642 -0.294474217510901 V591 -L643 -0.300134452818364 S626 -S631 -0.310796527644218 I593 -L643 -0.325536039189993 F633 -V642 -0.331338272128864 V591 -I644 -0.378688440599445 L628 -F633 -0.385547861199293 L592 -L643 -0.451807644869048 I593 -V642 -0.459123103588544 R630 -A635 -0.70810097249266