[Mon Aug 29 16:46:54 2016] >Input file: TMQ5YJI0M19G.pdb >TM segments: 37-44_ 46-52_ 61-87_ 92-99_ 187-196 MAIDEN score = 33.6144 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 ----------- ---------------- Q69 -V75 10 L64 -K82 10 I66 -I78 1.96076659196113 R65 -L80 1.60755312932576 I66 -L79 1.21787708486283 Y67 -A77 1.2089955506678 W68 -L76 1.10499126890242 L79 -W86 1.03651583100958 I78 -W86 1.02337046952311 V83 -I94 1.01403621569811 V83 -T95 0.996710385423644 R65 -A77 0.984859876068246 V83 -D96 0.981390349805572 I66 -L80 0.961980301604205 W68 -V75 0.868028769047983 V85 -I94 0.812505122048799 L64 -L80 0.800572861825175 I78 -V85 0.768017167479308 P37 -L50 0.759574351567936 Q84 -I94 0.75765100801623 A77 -W86 0.745953629985186 L79 -V85 0.711741394181365 I78 -T93 0.668077161408141 K42 -V48 0.645463653258089 A62 -V83 0.628152527017369 Y67 -L79 0.627619248309033 L80 -V85 0.61696408194854 L80 -W86 0.59887954063255 V83 -I97 0.572118008450169 S63 -L80 0.552109905635931 K70 -V75 0.511737120476702 W68 -A77 0.486368737911492 L79 -I94 0.478958441047277 V85 -T93 0.478800907224556 R65 -I78 0.470921932141429 R65 -V83 0.431986767857778 Q84 -T95 0.410186984702732 L79 -Q84 0.394190058429572 I66 -K82 0.390103089105053 R65 -D96 0.339947534812228 W68 -I78 0.326330878972481 C52 -V83 0.305393176053108 P37 -S51 0.277314730256413 V40 -V49 0.270707980864585 V48 -D96 0.268415286063783 C52 -I78 0.26425535539056 S72 -Q194 0.25116286337817 T47 -T95 0.246001184402642 W68 -T95 0.244677445576818 Y67 -V75 0.240504433960554 K82 -N99 0.226769193383023 V85 -T95 0.226446100554956 Y67 -K82 0.221520777368462 I78 -S87 0.220467547738988 E46 -T93 0.220160501490061 V40 -S51 0.209291981074808 S39 -V48 0.208755137879177 Y67 -I78 0.207907398107766 Q69 -L76 0.207457732885227 S39 -S193 0.206547299611781 L79 -T93 0.204548749000629 L50 -N98 0.201887686840415 G81 -I94 0.201319960924544 S72 -P196 0.200587339637057 I66 -T95 0.187545224214082 K70 -L192 0.183431037443174 L79 -T95 0.181903034279176 V44 -D195 0.180076888575075 L61 -K82 0.179017744502359 W86 -R92 0.176416338186317 L50 -T93 0.17227819594269 R43 -R92 0.169285043310132 S51 -Y67 0.168059466987762 I66 -A77 0.165024630607235 K42 -D195 0.165015522690191 Y67 -S87 0.163407382641241 K82 -I94 0.163144445454307 D71 -T191 0.160813015412673 W68 -L79 0.158158187616937 L64 -V83 0.157939002882925 T41 -L50 0.156945954661175 A62 -K82 0.156605317744667 R43 -P196 0.155980806681474 K70 -L76 0.146223814485859 V49 -R92 0.144718385582499 R65 -V75 0.1440802443795 Q69 -S193 0.144073211339593 S51 -N99 0.143114694095072 L61 -N98 0.142419528427977 G81 -N98 0.141982977392538 Y67 -W86 0.141958709217463 I66 -V83 0.140123551902888 P37 -C52 0.135663254495795 C52 -L79 0.13364403877096 K70 -I78 0.126532568669948 S63 -D96 0.123272988123322 S39 -Q194 0.12284533099279 S39 -V49 0.120220187447885 A62 -I97 0.116177859660183 R43 -Q194 0.115784804209697 K38 -V48 0.114863191762448 L61 -L80 0.113643211141917 K38 -L50 0.111229904042805 R65 -Q84 0.109522469912962 R65 -N99 0.109402477841833 S51 -R65 0.108831214217791 S87 -T93 0.107531869473641 L79 -S87 0.104071097512444 K73 -D195 0.103415382075401 R43 -D195 0.103201722705628 K70 -P196 0.0991541659918456 L50 -L64 0.0983764032024594 V40 -T47 0.0980287321964117 L50 -A77 0.0969659749103631 V85 -D96 0.096192493450971 L76 -Q84 0.0945433364947914 S39 -L50 0.0919101639918445 L80 -T93 0.0915226342998476 L61 -L79 0.0910365174392909 S63 -A77 0.0892303969137691 L61 -I66 0.0890027318322767 S63 -N99 0.0885659372837022 Q69 -Q194 0.0885298952723934 V75 -L80 0.0871862830281478 S51 -T93 0.0857006786944125 L50 -V83 0.0837686711828836 S51 -K82 0.0835971542102478 S72 -T191 0.0823649189650019 K73 -S193 0.0818477794752792 Y67 -V85 0.0818155892619816 C52 -A62 0.0815734630461635 T41 -Q194 0.0797389784827853 S87 -T95 0.0793565066012711 S39 -C52 0.0787320878601294 S51 -V83 0.0768825951460594 V83 -R92 0.0768376563607499 A77 -T93 0.0765922237774843 Y67 -Q84 0.0759642901004476 S72 -L192 0.075297125394604 A62 -I78 0.0745814231428227 L50 -L79 0.0727829437420842 Y67 -V83 0.0723689765081614 L50 -Q69 0.0721657353554015 V49 -N98 0.0706140809341553 I78 -I97 0.0701735137971893 R43 -V49 0.0698806208077887 V44 -R92 0.0698547057760608 A62 -L79 0.0698053603361721 C52 -S63 0.0697680246833747 L79 -R92 0.0695705379201811 L50 -K82 0.06894500441437 V40 -E46 0.0688510413748005 V48 -T95 0.0687967712388902 S39 -D71 0.0682813188279927 V48 -I78 0.0676928790027445 S39 -Q69 0.0669500166426085 I66 -S87 0.0664893043482976 S51 -L64 0.0613223114063446 V83 -N98 0.0602445399202822 Y67 -K73 0.060087807609543 R65 -T93 0.0596299044642549 L76 -I94 0.057950636811265 S63 -N98 0.0576122270837627 V44 -V49 0.0521906537294266 K42 -Q194 0.0519370924948319 L76 -W86 0.0466569227764104 L50 -T95 0.0466238306418969 T41 -V48 0.0452039592005683 W68 -G81 0.0450477226139163 R43 -V48 0.0450140328435795 I66 -D96 0.0435808152889336 S72 -D195 0.0431201181029028 G81 -S87 0.0426847580053811 A62 -V85 0.0424825679946714 A62 -T95 0.0421356286747354 S39 -K70 0.034745435383766 T41 -S193 0.0343734089590804 Q69 -L79 0.0334663248929772 D71 -L76 0.0331804730767864 D71 -T190 0.0281900090784264 S51 -I97 0.0281144395095687 S72 -S193 0.0278358638832006 C52 -T95 0.0267312736587799 V44 -Q194 0.0264073497618043 S39 -S51 0.0251012898029646 K38 -V49 0.0239584678736454 I66 -Q84 0.0190064290776295 K82 -T95 0.0185844219600594 V49 -Y67 0.0180928824045621 L64 -W86 0.017255354183817 L50 -R92 0.0166809343576917 V85 -I97 0.014109402063994 V49 -W68 0.0133109305919206 T41 -V49 0.013250017809586 K38 -W68 0.0100271386873221 L50 -I78 0.00695526946709446 V40 -K70 0.00392136904068963 V49 -V83 0.00391305638238792 L76 -T95 0.00279768614326592 S51 -N98 0.00208607205303224 K42 -L50 0.00162733073497368 S63 -V85 0.00160846087898081 A77 -Q84 0.00151462429708804 T190 -D195 0.00139984475951049 S39 -T47 0.00105031733705463 L61 -T95 0.000985747321599506 C52 -G81 0.000976104667433475 L76 -S87 -0.000179425294449587 Q69 -A77 -0.00042619498015295 Y67 -R92 -0.000807160414332486 K38 -Y67 -0.00160764311463879 L76 -T93 -0.00359009644512831 T47 -D96 -0.00462413079243262 L64 -G81 -0.00496490343036388 L64 -T93 -0.00669064519768003 V40 -C52 -0.0108243827320553 V83 -N99 -0.0114370218617532 A77 -V85 -0.0115129516010581 V40 -Q194 -0.0123088436773902 P37 -I66 -0.0180992869190844 K82 -T93 -0.0183041781220878 V75 -S87 -0.0204753559947473 E46 -R92 -0.0207579416572671 R65 -N98 -0.0211675438101846 I66 -M74 -0.0213486827490517 Q84 -T93 -0.0214893847760863 R65 -I94 -0.0221485019768577 L50 -Y67 -0.0238467585079589 V40 -Q69 -0.0256357137958194 Y67 -T93 -0.0259008153789845 L64 -T95 -0.0265913201647106 L64 -L79 -0.0274571524439988 Y67 -G81 -0.0275701373390334 A77 -V83 -0.0276696029297605 S63 -T95 -0.0282738780058445 R65 -W86 -0.0295228469034083 T41 -T47 -0.0311211898784506 S51 -I94 -0.0329925917601348 T41 -D195 -0.0338482085097613 Q69 -I78 -0.034225959247304 Q69 -T93 -0.0350864117640841 Y67 -T95 -0.0364677852824415 A77 -K82 -0.0383844024655408 L64 -N99 -0.0398770504045705 V44 -P196 -0.039956860135606 S51 -G81 -0.0405936499209545 T41 -S51 -0.0415924480981044 V49 -T95 -0.0424046232139874 L64 -N98 -0.0431279380803034 K42 -T47 -0.0436632229222242 R65 -S87 -0.046943527742923 Q69 -M74 -0.0478260641036026 L80 -R92 -0.0492035642011835 Q69 -P196 -0.0516703186205523 L76 -G81 -0.0528775591252488 T47 -R92 -0.0535795381144193 S87 -R92 -0.0538444829768157 K38 -S51 -0.0564258853098653 A62 -W86 -0.0568214834637908 V75 -W86 -0.0574535187240119 A77 -I94 -0.0581314862827362 S51 -L79 -0.0596600832713378 W86 -T95 -0.060623536713317 S51 -W68 -0.0606660499397673 R43 -L50 -0.06142414461537 S51 -D96 -0.0620136099203883 Q84 -R92 -0.0622576582981029 Y67 -S72 -0.0635554509113085 A77 -S87 -0.063840317823427 C52 -N99 -0.064480397522205 K73 -I78 -0.0646363886882253 G81 -T93 -0.0681768442018045 L61 -Q84 -0.0681834316901379 K70 -A77 -0.0695123506896089 L50 -I97 -0.0739658853864968 L64 -I78 -0.0743339093104236 L61 -D96 -0.0748391902892214 L64 -A77 -0.0748892784919244 W68 -M74 -0.0755909507476393 C52 -L80 -0.078366340677154 S63 -Q84 -0.0792062702446776 Q69 -W86 -0.0800712978527967 Q69 -D195 -0.0811985651378313 P37 -V48 -0.0832500858288086 L61 -I97 -0.0832939476129899 W68 -V85 -0.0838205869104962 S63 -I78 -0.084791785962917 K82 -S87 -0.0879928968925454 L50 -R65 -0.0881520415274286 S87 -I94 -0.088597972562911 S51 -I78 -0.0893661826930743 A62 -N98 -0.0917983952245124 S39 -W68 -0.091955228191245 L79 -I97 -0.0929499478579688 L61 -G81 -0.0931305581388262 L80 -I97 -0.093453797218578 V49 -R65 -0.0941506820376903 P37 -V49 -0.0949817480428621 W68 -I94 -0.0956316492302545 D71 -L192 -0.0974443640558871 S63 -W86 -0.10196095133002 I78 -D96 -0.102684953028933 W68 -K82 -0.103027473140376 V44 -T93 -0.104543798036493 L64 -I94 -0.104646344678485 W68 -Q84 -0.104654191319922 S63 -K82 -0.104662362159905 V49 -L79 -0.104685157871553 I78 -T95 -0.105245059136491 K38 -I66 -0.105651880519805 V49 -I97 -0.10881712927778 T41 -P196 -0.110224345433501 A77 -T95 -0.112158257329021 K82 -N98 -0.112720314890915 L61 -V83 -0.113917077270206 K70 -S193 -0.114620319618569 V49 -I66 -0.115547689112288 W68 -R92 -0.116515530896399 G81 -D96 -0.118267112912424 C52 -I97 -0.118286060331735 V49 -I78 -0.120124405218302 W86 -D96 -0.120834557162717 V48 -I66 -0.123869553977882 D71 -A77 -0.129979886671886 W68 -V83 -0.1317147989023 K73 -P196 -0.131766607786657 I66 -V75 -0.133786244975106 W68 -S87 -0.134634684148175 G81 -N99 -0.135780934207409 P37 -T47 -0.13632517930265 Q84 -N98 -0.136329926046063 E46 -I94 -0.136401142343916 Y67 -L80 -0.139445513563012 L64 -L76 -0.142805700806112 A62 -N99 -0.144566717837103 A62 -I94 -0.145088799353341 L64 -I97 -0.14527410634097 D71 -Q194 -0.148033810764977 V49 -I94 -0.148745267092092 L61 -N99 -0.149773180400921 P37 -K42 -0.150835241609765 C52 -N98 -0.15198883697605 V48 -W68 -0.152167912710452 D71 -S193 -0.15295991385486 Q84 -D96 -0.153992656451624 V85 -R92 -0.15567936039218 V40 -W68 -0.15809236126954 R65 -V85 -0.160480989310855 K70 -D195 -0.160982884902213 I66 -R92 -0.162006867226086 V48 -R92 -0.162955790451582 Y67 -M74 -0.165437837238439 T47 -I94 -0.16599253107243 W68 -P196 -0.166671391798529 S63 -I97 -0.168101093269665 R65 -G81 -0.173472255676148 L76 -V85 -0.177561059303798 S51 -I66 -0.178256596523486 A77 -R92 -0.179485407192939 R65 -T95 -0.179594606508993 G81 -I97 -0.180527032560345 T41 -E46 -0.183143072971909 T191 -P196 -0.184554560720822 Y67 -I94 -0.185294696387416 W68 -K73 -0.185313346544434 V48 -I94 -0.186916702156995 V83 -T93 -0.188508850887229 L80 -D96 -0.188600039760062 W68 -W86 -0.189350120958886 L80 -S87 -0.189426410644868 V48 -T93 -0.192118928620378 L80 -T95 -0.193022542883718 D71 -D195 -0.193034917568157 R65 -I97 -0.194007668926131 A62 -G81 -0.194236015373758 T47 -T93 -0.194832844749186 S63 -V83 -0.195884971231319 V49 -T93 -0.196263497282215 W68 -L80 -0.199569366058208 S63 -L79 -0.201211290439502 L64 -V85 -0.201541507042852 W68 -T93 -0.202845033820322 R65 -L76 -0.203121518628265 I66 -I97 -0.208275415478185 A62 -Q84 -0.208337952603544 I66 -L76 -0.208665057105929 C52 -W68 -0.210386410729716 V49 -K82 -0.211053285243548 L50 -I94 -0.21110706169811 A62 -D96 -0.213638724769277 K82 -D96 -0.214018752461191 L50 -W68 -0.216702872637692 I66 -V85 -0.217261897832927 K70 -Q194 -0.218744677830623 K38 -Q69 -0.221490093700115 K42 -V49 -0.223054533371475 K73 -Q194 -0.226502466609161 Q84 -I97 -0.229291653176368 I78 -I94 -0.230628358647004 L79 -D96 -0.231342319034777 L64 -D96 -0.233628250297126 S51 -T95 -0.233930256221339 I66 -G81 -0.235748032157594 K42 -P196 -0.235846393757251 K73 -L192 -0.237410047400109 C52 -L64 -0.241244792046118 R65 -K82 -0.241353694001427 Y67 -D96 -0.244730191159967 V49 -D96 -0.247974349800729 C52 -I66 -0.263185151635875 A62 -L80 -0.275769907260182 W86 -T93 -0.276128847953866 C52 -I94 -0.27645746791899 C52 -Y67 -0.283863038914221 C52 -K82 -0.284969172352622 G81 -W86 -0.287343549572004 V40 -V48 -0.301863778618116 K38 -C52 -0.306456865946897 L50 -D96 -0.307272437564525 L80 -I94 -0.312122997235739 G81 -T95 -0.321949081056785 V40 -L50 -0.329758425589885 I78 -Q84 -0.339193337478484 I66 -T93 -0.339670795318165 W86 -I94 -0.342010559472405 K82 -I97 -0.342629158191659 I66 -I94 -0.34571994297813 I66 -W86 -0.356903120418562 I78 -V83 -0.357857239549972 R65 -L79 -0.369933095001228 C52 -D96 -0.371111424417439 Y67 -L76 -0.395101388292924 I78 -R92 -0.400048811260653 L50 -I66 -0.418272924933237 D71 -P196 -0.418587146307201 L64 -Q84 -0.474870589490179 C52 -R65 -0.561216505502597 S63 -G81 -0.611555544489119