[Mon Aug 29 17:41:53 2016] >Input file: TMA6LJA9M5G.pdb >TM segments: 529-537_ 546-580 MAIDEN score = -0.6110 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 ----------- ---------------- L532 -I563 1.22074684293477 I531 -F561 0.994397369802089 D533 -I563 0.967308477759218 L530 -F561 0.893024957233988 I529 -R558 0.875011445494569 L532 -V562 0.840209573565172 L530 -N560 0.813403998045167 L532 -F561 0.703828513219387 E534 -A564 0.638947143577789 A535 -V562 0.638603728671821 A550 -M555 0.632926492742375 F561 -D574 0.490555987037634 D533 -F561 0.474786090118245 S549 -L554 0.457654524059631 I531 -V562 0.444527594009385 L530 -R558 0.421182100577183 L530 -V562 0.403952058616865 I531 -I563 0.382646539788276 I529 -F561 0.38005796413253 I547 -K552 0.378945753512552 T536 -A564 0.373075773655448 D533 -H565 0.372124662715419 I547 -R553 0.369985180586648 A564 -A573 0.361477336205848 N560 -R571 0.335020622554061 K552 -R571 0.330651639164389 T536 -R566 0.312239945214059 V562 -I570 0.291172973460061 E534 -V562 0.281330062203672 D533 -A564 0.273257022737645 E534 -I563 0.271363537904536 A564 -R571 0.264417340039034 T536 -T569 0.251893824610919 H565 -L577 0.250506837181172 M551 -R571 0.248567732862783 L530 -T559 0.243593084603988 A564 -I570 0.236070867591138 L530 -H556 0.230133213948082 S549 -S568 0.224109641788169 L532 -T559 0.21734375981293 A535 -S568 0.216191368112102 Q548 -F561 0.215550685935294 K552 -R558 0.206189957541982 L532 -N560 0.202878977949785 Q548 -R553 0.199938052740131 H565 -M579 0.196068079730193 T559 -I570 0.195909152043138 R566 -A573 0.193766128911377 E534 -Q548 0.18648744439009 H556 -F561 0.171239278282337 A535 -I563 0.169372853639622 S549 -H556 0.168985157478788 I563 -A573 0.167730662916548 N560 -L577 0.167714695038251 I531 -I570 0.167391582370473 S568 -M575 0.158813865607394 A573 -V578 0.155484866020193 A535 -A564 0.152995463659168 I531 -A550 0.150406314157281 H565 -A573 0.149796285695547 A564 -I576 0.14763106203469 A550 -V562 0.146340900128858 S549 -A573 0.143352609161036 S549 -N560 0.142978155944206 M551 -F561 0.141690726059815 Y546 -I570 0.140273891870444 D533 -T569 0.139416555474791 I531 -L577 0.138068321327646 Q548 -R558 0.13702449485232 S549 -R571 0.136148742109252 I531 -T536 0.135254733765894 Q548 -R566 0.133868818362377 A550 -A573 0.131923478388533 Q548 -T559 0.128855827146111 T559 -I576 0.127461246217139 T569 -I576 0.126868266889284 I531 -A564 0.125420422710665 I531 -Q548 0.124134739377364 D533 -N560 0.123863046815975 Q548 -M555 0.118456308021058 R553 -A573 0.117901272596772 I547 -V562 0.116878946144968 L532 -S537 0.11509418997214 L567 -L577 0.113254679947683 S557 -A573 0.112114691412224 L530 -Q548 0.110192931312673 L532 -L554 0.107532468860601 S549 -I570 0.10706746214106 I531 -M575 0.106161663268487 I529 -H556 0.106147816568769 F561 -R571 0.103687670774756 Q548 -I563 0.102705829414429 H565 -I576 0.10139596909384 I547 -I570 0.0951322093670868 S549 -D572 0.0949595383626676 L554 -I570 0.0885982325201486 S537 -Q548 0.0865491427935101 S549 -T559 0.0855266453877088 R566 -L577 0.0848796944016625 E534 -I547 0.0846522338833857 Q548 -N560 0.0841950184509956 L532 -R558 0.0836779685912507 A564 -M579 0.0822728336941608 T536 -S549 0.0820357710404387 I563 -V578 0.0819526492817264 S549 -T569 0.0817753048676035 N560 -T569 0.0815833769317598 L554 -N560 0.0779067363923742 L530 -A550 0.0760485811930849 F561 -L567 0.0757888700721592 A550 -I570 0.0742230410661291 H565 -V578 0.0740910071396712 K552 -F561 0.0674772804030599 R558 -A573 0.0670022431942137 L532 -R566 0.0664197402849731 A535 -F561 0.0653313657905485 A550 -T569 0.0647691305411509 I531 -H565 0.0604571748113247 T536 -R571 0.0603902685435198 L554 -A573 0.0597682761508602 I529 -M555 0.0594629967533855 L554 -V562 0.0563823437670949 L530 -A573 0.0562725117810783 M551 -T569 0.0552540039510635 D533 -R566 0.0544161542587429 S568 -I576 0.0535948599356471 S557 -D574 0.0529389899114935 A535 -A550 0.0528303849664105 I547 -T559 0.0525607371556465 Q548 -S557 0.051782523256906 S537 -L567 0.0509919936647361 L532 -A573 0.0506078521945525 L567 -D574 0.0496374017657133 L532 -I576 0.0494829376818835 T569 -D574 0.0489944801799131 L532 -K552 0.0478831754239342 S537 -I547 0.0478241631072334 T569 -M575 0.0444566841878509 A564 -T569 0.0443288708753844 I547 -M555 0.0442746661172837 A564 -V578 0.0438848258482096 S537 -V562 0.042745463401749 R558 -D574 0.0423241354186934 I547 -H556 0.0421111563165915 A535 -Y546 0.0416834606260195 N560 -I576 0.0406536521558634 Q548 -A573 0.0401154774983459 F561 -V578 0.0399195804976245 M551 -M575 0.0369547877651968 S568 -D574 0.0366935621932899 A535 -N560 0.0364144453253066 V562 -S568 0.0358596793428915 I531 -A573 0.0340526388223985 E534 -N560 0.0337802312200637 T559 -R571 0.0335546721169493 Y546 -M555 0.0335132877859792 I570 -V578 0.0316747571187803 R566 -V578 0.0307322407142375 L532 -H565 0.0294725031658141 V562 -R571 0.0281590739544431 N560 -D572 0.0280931916871182 R566 -I576 0.0245712541094831 F561 -T569 0.0244521672950784 K552 -V562 0.0243594281354603 R553 -R558 0.0206697557585886 I547 -R566 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