[Wed Aug 24 17:33:17 2016] >Input file: TM4XK8CGD.pdb >TM segments: A63-82_A149-167_A184-204_A286-301_A341-359_A378-396_A426-447_A523-541_A580-598_A661-679_A713-731_B788-807_B877-895_B914-934_B1016-1032_B1074-1092_B1111-1129_B1159-1180_B1258-1276_B1315-1333_B1389-1408_B1445-1463_G1913-1932_G1978-1998_F1839-1859_I2099-2119_H2031-2069_K2165-2184_K2186-2207_J2134-2154_L2251-2270_L2283-2302_L2339-2359_12402-2423_12449-2470_12507-2527_32809-2830_32860-2878_32935-2955_22597-2618_22645-2663_22712-2733_43020-3039_43065-3083_43129-3148 MAIDEN score = -186.2597 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. ----------- ---------------- BBeads pair Empirical energy ----------- ---------------- I354A-M384A 1.54039268746273 F67A-M162A 1.44211205866682 L346A-L390A 1.26060048462821 I2255L-F2344L 1.17925210973342 I1264B-W1330B 1.16964479470796 I533A-W588A 1.16020389769823 I1406B-L677A 1.15156407055203 C24071-E25071 1.14605243752753 W24511-I24571 1.10612313407921 Q341A-L346A 1.10112275591276 L346A-I391A 1.0999753409835 L1079B-I1123B 1.09911852458663 L31434-Q31484 1.05270196539264 E26012-I27172 1.04584269526288 I1918G-H1989G 1.04515051169169 E30224-I31324 1.02927075861736 L29473-Q29523 1.02591448025182 F2047H-K2339L 1.02153801114366 W385A-I593A 1.00870992114983 V30334-F31424 0.981328562076562 V2294L-F2345L 0.980562787861664 V1397B-F1454B 0.967375931882765 Q1074B-L1079B 0.956027525931844 F1927G-V1932G 0.95097946414824 F676A-V717A 0.934584671370162 K27182-A27232 0.90915141180912 V2293L-F2344L 0.908766477350994 L2181K-C2193K 0.905445849336062 W1398B-F1454B 0.905166692900119 F24671-V1932G 0.905056161620095 L191A-L295A 0.903546302859369 L1405B-F678A 0.903433719272328 F662A-H667A 0.900376068147109 A789B-W895B 0.884795899928502 F1128B-V1276B 0.880274053561029 E24611-A24661 0.87362792646995 L920B-L1026B 0.864854594344143 L200A-L288A 0.861845623195717 L1112B-Q1117B 0.860237838642067 L1926G-D1980G 0.854141024222568 I354A-H383A 0.841044651117532 A1263B-W1330B 0.838005414416555 F583A-V719A 0.837485457348956 L26522-W26572 0.827795661805868 T1125B-F1317B 0.824207715083977 L2181K-D2189K 0.823953011871196 L197A-W202A 0.81740506764126 K25091-A25141 0.812878872558805 I1160B-L1273B 0.807127615313521 L1926G-W1984G 0.798804167573075 L1850F-W1855F 0.795249812232991 F1404B-V1449B 0.792943758178696 L430A-H534A 0.789688818703222 F1393B-T1461B 0.787332180118049 Y1118B-I1328B 0.776972031217471 F67A-L163A 0.76912811688711 A2044H-K2339L 0.766539970748541 M384A-I593A 0.765979076932358 V1397B-H1453B 0.765234966854909 K29373-A29423 0.759100491905492 L2105I-F2110I 0.758381354042292 F1128B-L1275B 0.755219374383429 P2104I-L2109I 0.751783811346806 H30774-R30824 0.748080201233067 C24071-R25121 0.747226268481457 T353A-I386A 0.747022130918527 L929B-L1019B 0.745552437503538 S921B-I1027B 0.741932900479849 Q1117B-I1328B 0.741160469248914 I2165K-N2170K 0.737653478950402 F924B-F1025B 0.735430644680763 S1921G-I1987G 0.734780500712215 L1170B-L1266B 0.733351226011991 V2293L-F2345L 0.733045199438775 S343A-I391A 0.728923027632054 S921B-L1026B 0.727638795306691 L430A-L538A 0.724727539945863 T2301L-T2341L 0.724099526965141 V2257L-F2344L 0.721056378102096 I533A-S592A 0.717191515818742 I539A-G585A 0.715839716000124 T381A-I597A 0.710267266463269 T2169K-V2205K 0.709207630527995 L437A-F531A 0.703914954519898 G196A-I292A 0.70148535886145 F2047H-G2342L 0.700818199968658 L2057H-V2294L 0.697886081022366 L800B-L883B 0.697695728628033 T1922G-I1987G 0.697467224964416 L75A-L156A 0.695842140087729 F799B-L884B 0.695306291988194 I1918G-G1988G 0.689589131797901 L1405B-L677A 0.689338273199709 G2262L-I2349L 0.689222385385395 L916B-Y1032B 0.688592186294506 F74A-L156A 0.688555475098392 F792B-L891B 0.688318189967827 F2047H-L2053H 0.687343206698701 Y1993G-T1998G 0.686296584838042 G350A-I391A 0.68556780513681 G2290L-I2349L 0.683617246794039 F2269L-G2285L 0.683379529882891 K2049H-L2054H 0.683307624923255 A2045H-K2339L 0.68312371106386 F663A-A728A 0.682806641921762 T1400B-F1454B 0.678752904428805 L437A-H527A 0.678495518112581 F67A-A165A 0.678213688662525 W1323B-I1328B 0.678013867251856 W76A-A155A 0.677795144738658 G925B-I1021B 0.675604281475461 A1090B-L1112B 0.673005772641622 V28113-G29393 0.670985449539915 A796B-L891B 0.666682173261673 F924B-A1022B 0.666630570885237 L800B-L884B 0.664657575857995 I1406B-F678A 0.664247800648083 G2258L-F2344L 0.661140997510665 L1163B-L1273B 0.659444185402858 F74A-F158A 0.653870970383426 L1079B-M1124B 0.653253976463759 V392A-G585A 0.65232778438082 S343A-G393A 0.650423942762787 G793B-S890B 0.648837503953755 F807B-A880B 0.645070169927154 S1925G-G1988G 0.641327708635122 F82A-A152A 0.640996153362601 N188A-H299A 0.639832926839574 S26052-R27212 0.639713310083575 L1268B-W1323B 0.637481722462905 C434A-F439A 0.63730385010486 G26112-V27272 0.636646462451397 V2257L-G2343L 0.636561583904581 T2048H-F2340L 0.635580858191142 I1274B-F1317B 0.629528356289716 H919B-H1018B 0.629293643741414 A1080B-I1123B 0.627869445619712 F672A-G718A 0.626049910833605 P2104I-L2065H 0.625438002675125 L187A-Y301A 0.624350378874207 F662A-A728A 0.621572857457715 E28103-V29363 0.621469865638788 I539A-H581A 0.620674030588682 V535A-W588A 0.620301343453548 F668A-G725A 0.620123500864411 A192A-L295A 0.619791764093658 G1076B-F1128B 0.619280626559535 F788B-G894B 0.619232063884771 W26072-A27232 0.619185145033569 L191A-F294A 0.618809908298459 F63A-G166A 0.618610371214307 V2266L-A2288L 0.61853077582422 L540A-H581A 0.616215114645177 F2056H-G2061H 0.615539524209375 P2046H-L2052H 0.614601907280511 I2255L-F2346L 0.613885404395536 G28143-V29363 0.611034277632752 V1260B-W1330B 0.610650530700174 A1399B-F1454B 0.60796792667871 F1391B-Y1462B 0.607240827647109 L1405B-A1446B 0.606324091039888 G350A-F389A 0.605980122586321 F2269L-A2289L 0.605135351818524 F28163-A29423 0.602099221554671 G922B-S927B 0.600558891726102 G1401B-V1452B 0.596225666624318 V1260B-A1265B 0.595030522995618 F442A-H447A 0.594916680634366 T2177K-H2198K 0.591947849207785 W1398B-V1456B 0.590478340264971 T1922G-H1989G 0.59002086942707 Q25992-H26042 0.589784373030783 A357A-M384A 0.588674700615457 H440A-H527A 0.588121823851251 S2286L-I2353L 0.58581487949881 L1082B-A1120B 0.585168564232945 T1174B-H1262B 0.584787803780762 G438A-F531A 0.583123298369085 S78A-L156A 0.578269772109607 L540A-V582A 0.578151478705369 A26082-R27212 0.576700967594393 L929B-H1018B 0.575827542112425 R29403-I29463 0.575453135274471 H918B-F924B 0.574710696955602 A24101-F25181 0.57229599708419 I354A-G387A 0.570824911161708 I2058H-S2063H 0.57062526552903 A796B-F888B 0.570443425583332 L77A-A152A 0.5686836231096 L200A-H287A 0.567996023311699 I1406B-R1447B 0.564752221910666 E2256L-F2344L 0.564124941833382 F799B-S887B 0.562965557489802 S1925G-G1985G 0.561673170146909 M1390B-F1460B 0.56049359442301 G1840F-P1845F 0.559929900818272 N188A-Y301A 0.558748702599407 I26552-R26612 0.557643938592172 F792B-A893B 0.556345594774315 S71A-L163A 0.555975457578297 L800B-S887B 0.554933355950448 Y29493-L29543 0.554239566429251 F2040H-L2251L 0.551941202604925 F1391B-F1460B 0.548785601655756 L1275B-A1320B 0.546578035190008 I73A-S78A 0.546293492119662 V433A-H534A 0.545968867764124 C434A-H534A 0.545194946306775 V669A-L724A 0.545129020231691 A28213-I29463 0.54383008854472 I426A-N431A 0.54231315716203 F807B-Y877B 0.542141151755876 D1315B-A1320B 0.541906466140182 L437A-F442A 0.541068027665615 S351A-G387A 0.538100133161345 N431A-H534A 0.536764202412026 A1129B-F1317B 0.535184078371314 F2047H-G2343L 0.534920678999622 H24701-V1932G 0.533925254713348 L2179K-C2193K 0.533312949310055 S803B-L884B 0.53120177330423 N345A-A394A 0.529005124194256 L2259L-F2344L 0.527177473704542 Q358A-F380A 0.527051341760611 L2252L-F2340L 0.526668949838931 Y1113B-T1332B 0.526596984997532 I2349L-W2354L 0.526171818058685 I427A-L538A 0.524483793763629 V28113-E29353 0.523681638625822 W2142J-A2147J 0.522608978158607 G2258L-F2346L 0.522310543543381 V2270L-A2284L 0.519974042235872 W432A-L437A 0.519948872399578 R1447B-V1452B 0.518840951045828 S2297L-F2344L 0.518153845086461 S2167K-I2172K 0.51755776055206 A30294-F31424 0.517019689608947 F2269L-S2286L 0.516437769514098 W24091-A25141 0.516231888080034 F1402B-S1407B 0.515671201112334 T2177K-V2196K 0.514074655749475 A671A-Y722A 0.513220228348517 L2259L-F2346L 0.511605351438036 F1393B-F1460B 0.511154926946349 S2297L-F2345L 0.510591436057197 W26072-A26122 0.510326235127266 W30284-A31384 0.504257899847374 F2269L-A2288L 0.503929899907089 R915B-L920B 0.503343291660538 L70A-A159A 0.503104010176051 L806B-Y877B 0.502885395031624 L349A-L390A 0.502872574700149 V30244-A30294 0.501500937435408 V26032-A26082 0.500035124290974 L2101I-S2069H 0.499170132999602 W588A-I593A 0.498955827056317 F439A-L444A 0.498943187168649 V2266L-A2355L 0.497982935921129 I798B-S887B 0.497413299118275 P2046H-L2053H 0.496250566382173 T1174B-A1263B 0.49595058130973 A347A-V392A 0.495875072552023 P2031H-E2256L 0.49585440786474 M26092-N27192 0.495396667590226 N917B-M1031B 0.495390379088485 C24071-I25081 0.493941758251521 M30304-N31344 0.493808654741453 M28183-N29383 0.493035091993361 H190A-L195A 0.491849524036141 V30334-A31384 0.491128789120735 F2269L-A2284L 0.490802691639502 F2040H-A2045H 0.490202633190297 V24141-F25181 0.490159644534897 L674A-S679A 0.49008294981544 V1084B-A1120B 0.489667630669638 A2044H-F2346L 0.489536187483038 S803B-G879B 0.488841925206508 G196A-I290A 0.488131890530314 A1263B-T1327B 0.487362045305751 F672A-Y722A 0.487100575050833 H667A-F672A 0.486973219169244 W670A-G726A 0.486519577534867 D28613-F28663 0.485779294675392 N917B-H1030B 0.484723737633926 V525A-A530A 0.48371980103364 G925B-F1023B 0.481291756863159 F28663-A28713 0.481013082361011 T1125B-A1320B 0.480989008249912 M24111-A25141 0.479810779998447 L24041-I25081 0.478402844412275 I1274B-L1319B 0.477471754491466 L437A-I528A 0.477138725246628 T1271B-M1324B 0.477118674470655 L1077B-A1127B 0.476846301203324 H526A-F531A 0.476377470025142 F1393B-W1398B 0.475739168961702 L30234-I31324 0.47506567627868 L2252L-K2339L 0.475054321962527 A396A-V582A 0.474733943245609 Q1117B-Y1458B 0.473934091027457 I539A-L584A 0.472444133640042 V2257L-G2348L 0.472218450968947 W1839F-T1844F 0.471896958401379 L26022-I27172 0.470726837935985 I797B-S887B 0.46975459533904 K2055H-G2060H 0.469281433967883 I798B-S803B 0.469257861953517 V717A-Y722A 0.468933325181107 Y1318B-L1451B 0.46842572271927 A28173-R29403 0.466111563382642 F662A-T729A 0.465556078350389 F2047H-T2341L 0.464690320284636 H190A-F294A 0.463160094500964 A357A-T381A 0.463144496585289 V1981G-S1986G 0.462248585083273 L75A-A159A 0.461004103315426 H24061-L25151 0.459732321888898 I1159B-S1164B 0.459696260776139 L2259L-I2349L 0.459620493920055 A932B-H1016B 0.459409874542323 S2176K-G2201K 0.459267985064391 L1082B-I1123B 0.458665357855861 L2265L-S2286L 0.456638125967676 I72A-A159A 0.454208397347925 S64A-A165A 0.45362916014304 S2176K-V2196K 0.45226570633286 S803B-I881B 0.451637735508182 G28203-I29463 0.451508175836072 G438A-I528A 0.451315591482937 W670A-L723A 0.450838261544063 A2289L-V2352L 0.448429535435963 C24071-N25101 0.448086555959568 I2255L-G2342L 0.446133819282625 S343A-A395A 0.443763299377403 T536A-M589A 0.443064052640782 M24111-N25101 0.442762066476432 A28603-L28653 0.442736809749128 T1086B-Q1117B 0.442472431892096 I354A-F380A 0.442333431915601 N188A-M300A 0.442219881223384 S1164B-L1273B 0.440894368659926 L195A-F294A 0.440879331995338 V24141-A25141 0.440805541208646 I593A-F598A 0.439875480954396 L195A-A291A 0.43731133144926 L1170B-H1262B 0.436385206499311 S26052-M27242 0.435191062371599 F799B-L883B 0.434355003112657 L2054H-L2298L 0.434346883550578 L920B-F1025B 0.434090923102714 N28133-K29373 0.43368542244683 G24521-I24571 0.433645046524867 I26552-G26602 0.433342676830884 Q1091B-Y1118B 0.432735334112682 R24081-I25081 0.432275026342996 T1086B-I1119B 0.431772616717758 I30714-F30764 0.428500725643866 Y1458B-A1463B 0.428212703457563 E24031-I25081 0.428094638086662 F30694-I30744 0.428020304282623 F380A-I597A 0.42776015738977 L2251L-F2340L 0.427652321401071 N28133-M29433 0.427603483256572 L2181K-T2190K 0.427288647626518 H1018B-F1023B 0.42722882281879 A203A-L288A 0.425232781357864 I533A-M589A 0.424225182658809 F799B-L886B 0.423534659812241 L30754-E30804 0.423454194521232 F1842F-I1847F 0.423119811016805 S803B-Y877B 0.42120693829487 G2258L-I2349L 0.420335953787752 W30284-V30334 0.420110699217333 I528A-S592A 0.419751152342654 R26062-G26112 0.419682176902695 V2202K-G2207K 0.419240802812491 M384A-I597A 0.417799457465285 S71A-L161A 0.417454374415519 V1089B-H1116B 0.416914811798676 V30334-A31414 0.416461182034109 L1170B-A1265B 0.415998827729873 T24531-E24611 0.415471098638637 L1275B-F1317B 0.41521516680689 A192A-A297A 0.41383771112633 W931B-H1018B 0.413722262213243 K2339L-F2344L 0.413381865395161 T2169K-G2201K 0.413249116857583 I1119B-M1124B 0.412003559027657 S928B-L1019B 0.411422819392059 L916B-S921B 0.411143503686803 L586A-V719A 0.410219433184704 V2137J-W2142J 0.410165723602873 V30334-L30384 0.409957726343018 L26022-W26072 0.409480069734848 L70A-F158A 0.409333909510661 A26082-V27272 0.408805315385032 L430A-V535A 0.408114153695816 L346A-V392A 0.40800624226812 A796B-L886B 0.407365375017241 L2265L-V2352L 0.406846565462748 S71A-G160A 0.40672599137235 R28153-A29423 0.405806585187261 T2175K-G2197K 0.403807273762473 H667A-T729A 0.403579989941261 E2256L-G2347L 0.403479660963639 V392A-L586A 0.403416744092544 H24061-R25121 0.402780888990638 E26012-T27142 0.402415184256821 T1174B-L1259B 0.401345457531379 N30254-M31394 0.401045657126729 R31364-A31414 0.400923957843823 H918B-S927B 0.397367996407916 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