[Fri Aug 26 18:29:50 2016] >Input file: TMA4BNL4M3D.pdb >TM segments: 853-867_ 974-1004 MAIDEN score = -5.5473 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 ----------- ---------------- M975 -T983 0.705858822714562 V986 -A997 0.512481208675043 M975 -A984 0.465580541930994 Y858 -G981 0.355469293892974 A988 -A997 0.354622645078535 M975 -E996 0.339883028356825 I978 -T983 0.325123915718928 A988 -K999 0.306781584864474 R982 -E996 0.285303335703356 V986 -D998 0.283881382875527 K980 -A997 0.262777308180261 K865 -H989 0.255916147192964 V986 -E996 0.252418138569651 G981 -A997 0.248119116848326 D859 -G981 0.24607948176069 R990 -M995 0.245376402162626 T983 -A997 0.237096253130034 M975 -K980 0.2264209960927 R982 -K999 0.21110214393354 K865 -A984 0.208336579655789 V985 -A997 0.198683194877763 R982 -M995 0.191147858548224 R976 -D998 0.186563275266043 S861 -M975 0.180141120904081 R990 -D998 0.176845110435708 R990 -A997 0.173568533002241 A988 -I1000 0.171251690727376 D864 -K980 0.168281374297129 I978 -M995 0.1533582860736 S992 -K999 0.150828001137206 A984 -A997 0.150027083441972 I863 -V985 0.148772560014008 S974 -R982 0.148251060439161 V986 -T993 0.144269912189237 V985 -L1001 0.141478116713557 I863 -M975 0.141354811367013 R976 -V985 0.139590308184561 I863 -T983 0.138578756720146 K980 -E996 0.138084065136837 A988 -T993 0.133914950710027 E977 -A997 0.132073416870777 R976 -E996 0.132071947820191 V985 -M995 0.129301467524435 V855 -L860 0.127313296015028 R976 -V986 0.124024459784152 G981 -E996 0.122482853411077 V985 -K999 0.119355879965928 V985 -I1000 0.117559289058919 S861 -V986 0.116909399963707 L991 -L1001 0.116103092028927 H989 -K999 0.115556012776895 A984 -V994 0.113069319303049 K980 -D998 0.109008267198337 H989 -E996 0.108913275369584 S992 -D998 0.108659158823034 L991 -K999 0.105693547424763 S974 -A997 0.105355241976124 S854 -L860 0.104874565874689 H989 -A997 0.10426537459046 D856 -K980 0.102404354860593 L991 -D998 0.0995721933970017 R976 -V994 0.0994105574307467 L979 -V985 0.0942611120203583 G981 -K999 0.0918604970115499 T983 -V994 0.090283781132166 I987 -V994 0.0900078660077075 L860 -A984 0.0898108250394487 L860 -V985 0.0898049845087412 S974 -V986 0.0897794374885814 A984 -L1001 0.0879509743453109 T983 -S992 0.0855795223657226 S974 -T993 0.0851136905458276 L991 -E996 0.08488327284977 V986 -L991 0.0844256548663167 A988 -V1002 0.0841342919362646 L862 -M975 0.080162288344918 E977 -T983 0.0801336651860978 S974 -S992 0.0759657843002364 I987 -K999 0.0758816457235696 A984 -E996 0.074773979511074 H989 -I1000 0.0743108389681933 R976 -M995 0.069634559198466 A988 -V994 0.068063136367813 A984 -H989 0.0672301149790799 L862 -I987 0.0667423549460429 A988 -L1003 0.0659002553001947 A984 -L991 0.0631524133657333 S992 -I1000 0.0613142553241546 H989 -M995 0.0605798560039918 R982 -T993 0.0594952384831941 K865 -V985 0.059149195464947 V855 -G981 0.0591061268138029 G857 -G981 0.058100718379769 M975 -M995 0.0574313658015915 D856 -S861 0.0558354896375584 K980 -V986 0.0550247961687145 G981 -V986 0.0494707598079813 V985 -R990 0.0482623325677793 R982 -A997 0.0469184528124056 I863 -R982 0.0450096203749561 R976 -R982 0.0448503449807074 M975 -V994 0.0431688253145097 L862 -I978 0.0428568774050295 I863 -G981 0.0401251454320781 L862 -T983 0.0399658807674754 I987 -S992 0.0394858578749373 S974 -G981 0.0391636904541403 A988 -L1001 0.0389276207700435 L979 -A997 0.032832873459765 E866 -I987 0.0291218801021143 S861 -T983 0.0290427746657755 Y858 -K980 0.0279611666887325 A984 -R990 0.0269419585860291 A988 -M995 0.0253357345760833 H989 -L1001 0.0242597098529693 A984 -I1000 0.0240954622740608 D864 -A984 0.0178230208490406 S854 -S861 0.0149159895026929 D864 -S974 0.0144289163570612 A984 -M995 0.0134302334313015 T983 -A988 0.0123804382538006 R976 -G981 0.0116078377552867 A984 -D998 0.0110820216867245 L979 -E996 0.00926138548166811 S974 -K980 0.00788026081690996 V986 -L1003 0.00634149396009409 E977 -R982 0.00341401494291826 V985 -L1003 0.00325647685201691 T993 -L1001 -8.12151402014294e-05 G857 -L862 -0.00384231810075086 L860 -I978 -0.00635031428751542 A997 -V1002 -0.00683319645733615 H989 -V994 -0.00719654037062792 I853 -L860 -0.00743916697704172 R976 -A984 -0.00813752994397787 H989 -V1002 -0.00844525715511407 I987 -T993 -0.00878817029557144 I987 -M995 -0.0109024199636334 T983 -I1000 -0.0112772825900205 R982 -I987 -0.0142225290500084 I978 -V986 -0.0144030829764614 R990 -E996 -0.0144078862998833 I863 -A988 -0.0144974946850749 R982 -A988 -0.015792485775644 M975 -I987 -0.0159141291246963 D864 -G981 -0.0167748906163425 E866 -A988 -0.0174102023898115 S974 -V985 -0.0179148335606238 R982 -L1001 -0.0193806981574722 A988 -E996 -0.0195840548783481 I987 -L1001 -0.021113709563954 E866 -V986 -0.0237522500719098 V985 -V994 -0.023911457272666 R982 -I1000 -0.0247588991102158 R976 -A997 -0.0263845728569878 S992 -A997 -0.0272763266277893 L860 -T983 -0.0288165790039918 S854 -D859 -0.0336786562302408 S861 -R982 -0.0337248028560908 S861 -I987 -0.0343761333354955 S854 -G981 -0.0346028830113001 K865 -A988 -0.0374530376891472 E977 -M995 -0.0398180756666755 M975 -A988 -0.0403200322210404 I987 -A997 -0.043905204154445 V986 -M995 -0.0449301356777179 D864 -A988 -0.0455028739305554 I978 -T993 -0.0456798257163 S861 -I978 -0.0460157660665921 R990 -I1000 -0.0463309308429705 M995 -I1000 -0.0479342479014022 L862 -V986 -0.0510224729070705 G981 -I987 -0.0518326818602284 L862 -R982 -0.0535237791083896 I978 -D998 -0.0554317230951218 R976 -S992 -0.0563539589955484 K865 -V986 -0.0563735607514406 S861 -K980 -0.0579460580676118 I978 -A984 -0.0595755452711444 S861 -L979 -0.0596422216037442 A984 -S992 -0.0596733098166409 V994 -L1001 -0.0607523964316021 L991 -I1000 -0.0662738449984874 S974 -E996 -0.0666566098796824 I853 -D859 -0.0685409480398489 L862 -Y867 -0.0712142303869321 T983 -L1001 -0.0762900234170405 E977 -V994 -0.076750307691599 T983 -E996 -0.0768583440606234 M975 -R982 -0.077748154333712 I987 -D998 -0.0803313391358265 D864 -I987 -0.0804552812629549 M975 -K999 -0.0815050048044741 V986 -V1002 -0.082087113142419 I853 -S861 -0.0822571569723711 D864 -R982 -0.0847231345057571 A984 -T993 -0.0864513908046094 V985 -S992 -0.0872633719849443 D856 -G981 -0.0875009581515713 R976 -K999 -0.0888477906224314 T983 -D998 -0.0895489754826591 I978 -A997 -0.0931718199910521 V855 -R982 -0.0941506820376903 G981 -I1000 -0.0946636340018703 I863 -I987 -0.0963865804281276 V985 -V1002 -0.0974915604967738 L860 -R982 -0.0993710345975805 D859 -R982 -0.101463134607477 V985 -L991 -0.104748843224255 L991 -V1002 -0.105186935583254 E977 -V986 -0.108298218730527 L860 -L979 -0.108542924198321 V855 -L862 -0.111197477189118 T983 -T993 -0.113275180490555 G981 -D998 -0.113666425109543 L862 -L979 -0.114336772266432 V986 -I1000 -0.114897543655612 R982 -V994 -0.115404177238418 R976 -T993 -0.117114214535893 V986 -V994 -0.11725269187712 I863 -K980 -0.118336718309495 A988 -D998 -0.120290618030409 L862 -S974 -0.121747249552373 E977 -E996 -0.126590675571421 T993 -D998 -0.127111158208749 I987 -E996 -0.12828697478052 T993 -V1002 -0.131095428456021 M975 -S992 -0.133072085353041 I978 -V985 -0.135125104485354 D864 -M975 -0.138354951268596 D864 -T983 -0.138754708522861 S861 -G981 -0.140529708095791 E977 -T993 -0.147695624594394 D856 -L862 -0.15091385368317 D859 -K980 -0.151812808760774 G857 -K980 -0.151918992280901 I978 -E996 -0.152719097879805 M975 -D998 -0.154520804970799 D859 -L979 -0.1623734989204 I987 -L1003 -0.162450854531863 M975 -G981 -0.162810238523146 L979 -D998 -0.164424055544471 D859 -A984 -0.164551376243255 R990 -L1001 -0.164636532015707 V985 -T993 -0.164836151167495 E996 -L1001 -0.165800631406344 L862 -A984 -0.168080482906118 L862 -G981 -0.170654449228833 V994 -K999 -0.175234581237127 S974 -M995 -0.175248542945905 M975 -T993 -0.177994261973443 I987 -V1002 -0.179544591255945 L862 -K980 -0.184228413520963 R990 -K999 -0.186868699614138 E977 -D998 -0.191929128935903 E977 -V985 -0.19216500249736 S974 -A984 -0.192574585205648 V994 -I1000 -0.197809603639711 D864 -V985 -0.200880035241163 K980 -V985 -0.201308779830648 R990 -V1002 -0.214579235176426 L991 -A997 -0.215114432503143 L979 -A984 -0.217804187446113 L862 -V985 -0.21914378711637 S861 -A984 -0.221258445002751 V985 -D998 -0.230580664719369 D864 -V986 -0.232748695675487 L860 -K980 -0.23442480455964 V986 -K999 -0.238070538039015 T983 -K999 -0.240956522888604 R982 -D998 -0.247275104174023 S974 -T983 -0.254195510656586 H989 -L1003 -0.257245956189412 T993 -K999 -0.257909514445627 V986 -S992 -0.260890101097642 E977 -A984 -0.264594766642629 V985 -E996 -0.267162911604268 V986 -L1001 -0.269298849904146 T993 -I1000 -0.279734043421228 S861 -V985 -0.297649464549369 A984 -K999 -0.299519266553725 V855 -S861 -0.31568788988263 T983 -M995 -0.316646187379648 R976 -T983 -0.317039875234684 S974 -L979 -0.323984732875402 K865 -I987 -0.327345178975695 L860 -G981 -0.329557120832199 I863 -A984 -0.333127793628461 M975 -V986 -0.346566700945131 M975 -V985 -0.359037162215681 I987 -I1000 -0.368679699915134 M975 -A997 -0.399573502725259 I863 -V986 -0.467731995054088