[Wed Aug 24 17:57:09 2016] >Input file: TM4U2PCGD.pdb >TM segments: A503-535_A537-565_C2993-3018_B1261-1291_B1293-1321_B1487-1513 MAIDEN score = -66.0275 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 ----------- ---------------- I544A-W549A 1.22692009233061 I1300B-W1305B 1.047052440342 L2993C-P1268B 1.0211023150318 F552A-V1495B 0.963036159155576 L512A-L1487B 0.880868069167527 W1306B-I1311B 0.827571599139866 L2993C-D1267B 0.811342026960955 W1305B-L1310B 0.792380226357774 W549A-L554A 0.750210227145631 S558A-I1313B 0.703358179322318 L1269B-Y1316B 0.688185613302638 V548A-G1502B 0.677960736487429 V545A-G1502B 0.666694595995259 L2993C-L1269B 0.662503935977314 V534A-E1513B 0.650610630281692 A3012C-V1301B 0.642597810970159 G3008C-V1304B 0.642351854198488 A3016C-V1291B 0.638250160395905 L3005C-W1305B 0.635641929639961 F1265B-N1491B 0.631764786282295 G3008C-V1301B 0.605962417879918 L1269B-W1274B 0.602151781995772 A513A-L1489B 0.586190663401441 I544A-A1506B 0.567091015155493 V545A-W550A 0.552899326027419 L512A-S1488B 0.537164077328472 G1261B-S1490B 0.535284662063472 F3002C-F1308B 0.528716637743466 L533A-A1510B 0.523500474068151 P1268B-L1320B 0.506750557214032 L540A-V1509B 0.496989523445915 R1299B-V1304B 0.495669839628146 T561A-A1321B 0.493822231403538 R543A-V548A 0.491527592288494 Y514A-A519A 0.489926056497231 L2995C-A1270B 0.489323947329025 E515A-I520A 0.487133142796885 S559A-L1320B 0.481194557517168 V530A-A1506B 0.474039481913491 V534A-S541A 0.473176398998971 W1274B-F1279B 0.472274012800085 E515A-L1489B 0.471932531508854 V1278B-G1283B 0.471594515909059 E1272B-I1277B 0.463871663019717 L3005C-V1304B 0.462272304672914 Y560A-A565A 0.460721176259637 I516A-L1489B 0.456046895973491 W517A-F522A 0.452815957264352 Y1271B-A1276B 0.451281566664696 L509A-Y514A 0.445357635450071 W550A-I555A 0.438605099485603 D510A-L1487B 0.43782088652496 F1279B-V1284B 0.436578612294886 A562A-N1319B 0.434429037854473 A513A-S1488B 0.422495495010379 V1301B-W1306B 0.420410754837711 L531A-A542A 0.419125514424474 L2993C-A1270B 0.413353851856002 L3009C-V1301B 0.411629173977756 S541A-L1505B 0.409422551633938 P511A-L1487B 0.40907795160026 G3008C-I1300B 0.408630474768825 S559A-T1317B 0.398231674731515 V545A-A1506B 0.389921804002679 V527A-W549A 0.389820728057365 L540A-V545A 0.38965942405995 Y1316B-A1321B 0.384892250184365 V545A-L1503B 0.384891103240939 S541A-M1507B 0.384628565280273 W549A-L1499B 0.383502529738582 S558A-Y1316B 0.38249679614593 Y1281B-V1286B 0.380541820233027 A513A-A1493B 0.377521132115026 V548A-L1499B 0.359736676201516 V527A-L1503B 0.358289594397368 V530A-L1503B 0.358130249001159 S1315B-L1320B 0.356589951291171 A513A-L1487B 0.356553915796157 Y524A-V1495B 0.355668439719686 P511A-S558A 0.354629877609487 P503A-P511A 0.351535540310895 S558A-P1268B 0.350741267465433 P1293B-A1298B 0.347376672156832 L512A-W517A 0.343720483191053 V548A-Y1281B 0.335424356322432 V1262B-S1490B 0.330740743898359 T553A-T1317B 0.329753379373744 I544A-G1502B 0.324093257441095 I1311B-Y1316B 0.321385519951328 A3016C-S1297B 0.320902624788163 P511A-W517A 0.319771370281776 E515A-F1496B 0.316214060183561 L540A-A1506B 0.315024118980201 V527A-Y1497B 0.312872678984769 Y524A-G1502B 0.309059155176596 S507A-A513A 0.306761208230816 G3008C-A3016C 0.306232127801528 A3012C-A1302B 0.306210012307216 S559A-P1268B 0.302796036450261 L540A-E1513B 0.302710526901765 S559A-L564A 0.302296748197485 A2999C-I1273B 0.301051728923348 I1313B-A1318B 0.29998747735626 V3001C-F1308B 0.297211485394335 L1310B-S1315B 0.296398654650496 S541A-V1509B 0.28929139068532 A523A-G1502B 0.289051606436696 L1505B-A1510B 0.286827252999958 V3006C-V1304B 0.283883403468458 L3011C-A3016C 0.27990954802891 A523A-A1493B 0.279467500994145 S528A-A1506B 0.278793184410116 A523A-G1501B 0.278505733716038 T561A-T1317B 0.277174422229791 A3012C-S1295B 0.276265592452075 I557A-A562A 0.276157403977457 P1268B-W1274B 0.275629025973855 L554A-S559A 0.272897061249601 G504A-D510A 0.272787206478203 S2996C-A1276B 0.272143432045262 Y3003C-V1278B 0.271677206732037 V530A-V545A 0.271018832841485 P537A-E1513B 0.269848925851097 V521A-G526A 0.265052298359537 S559A-N1491B 0.263159508794883 V1492B-Y1497B 0.26303986135899 F532A-E1513B 0.262788007651631 S1488B-G1494B 0.261283010230492 W549A-G1501B 0.261091544289241 G3007C-W1305B 0.26086216328314 G1494B-G1502B 0.259820271926817 G1261B-N1491B 0.259424070044064 A542A-A1506B 0.252964954330159 V3015C-S1297B 0.252428192636555 R543A-M1507B 0.24957544242245 S1285B-A1298B 0.249156739139792 M3013C-R1299B 0.247037587441896 F1263B-N1491B 0.2466746086676 F1307B-I1312B 0.245760089746661 G547A-A1506B 0.24393077601619 L1269B-S1315B 0.243101824533359 G547A-L1503B 0.242549292477497 L1266B-T1317B 0.241546578979489 A3012C-G1303B 0.240808111335644 V1278B-V1284B 0.239464589130002 M3013C-I3018C 0.238975629468719 L540A-G1502B 0.237178952514496 L1296B-V1301B 0.237057245062916 G1283B-W1305B 0.235798823114482 A513A-Y560A 0.233357384321894 Y560A-F1265B 0.233023879571937 L3009C-G1303B 0.231741506626155 V3001C-I1273B 0.231141267118809 T553A-L1499B 0.230498297435366 A562A-A1321B 0.230446152412024 G526A-W549A 0.229714026623452 S2996C-S1314B 0.228595623378952 I516A-V1495B 0.22795715265484 L512A-T561A 0.22755094384769 M1275B-A1280B 0.225938263986678 F506A-A513A 0.224377532845821 V545A-I1498B 0.223362416963665 S558A-S1264B 0.222917688311779 F552A-A1493B 0.22276125975412 S558A-L1320B 0.222692201056461 S541A-A1510B 0.222483306814134 G3010C-V1284B 0.222010781182238 V527A-G1501B 0.221840396243259 N1491B-F1496B 0.221358927834304 I555A-G1494B 0.220003637028515 L3014C-S1297B 0.21845932194819 I525A-V1500B 0.215698610087895 I544A-V1500B 0.215120464858753 R538A-A546A 0.214086869943566 S528A-A546A 0.213766966274882 R543A-A1510B 0.213624737576159 G1261B-V1495B 0.211712943837039 L564A-A1321B 0.211117633395388 L3009C-V3015C 0.209278297479778 I555A-Y560A 0.208753610438364 V545A-L1505B 0.208301118495144 L2995C-I1273B 0.208091229816064 S535A-V1509B 0.207365241204506 T553A-T1309B 0.207202226903027 S507A-L512A 0.206547492791788 Y560A-A1318B 0.204894322998126 T553A-G1494B 0.204362836887109 A519A-S1490B 0.203817848724152 G1502B-A1510B 0.203732048252192 F1289B-A1298B 0.202408209365876 S2996C-Y1271B 0.200849464765907 A519A-G1494B 0.200264282471828 V548A-L554A 0.200264088311656 V3015C-R1299B 0.199790344289596 G3000C-I1273B 0.199636641556212 Y3003C-V1301B 0.199481934109653 V3006C-F1308B 0.199117792245085 D1267B-N1319B 0.19807750958726 A519A-Y1497B 0.197246038638772 T553A-I1312B 0.196395122415752 P511A-L564A 0.195935339250523 G3000C-A1276B 0.195191565593403 V3006C-F1279B 0.194740991808397 D1267B-T1317B 0.19390435012546 N563A-L1489B 0.193510344301479 P511A-N563A 0.193242505672793 V548A-L1503B 0.192935724009471 L2993C-N1319B 0.192709025501417 S1314B-L1320B 0.192235739050515 A3012C-I1300B 0.191348586541851 V534A-R543A 0.191130399198857 I557A-V1492B 0.190558393413376 A519A-T553A 0.189838422854412 A1270B-T1317B 0.189330374960592 V2998C-M1275B 0.188079519300825 I520A-G526A 0.186986201426532 Y3003C-Y1281B 0.18677139821471 V521A-V527A 0.186182604552316 I1312B-T1317B 0.185899723326637 V545A-L1499B 0.185617780954955 Y3003C-M1275B 0.184740813367018 S2994C-G3000C 0.184645987289749 N563A-L1320B 0.18378884238032 V521A-F1496B 0.183162519217657 T553A-F1496B 0.18249660415132 V3006C-L3011C 0.182268779906558 R538A-V545A 0.181949798342191 V530A-R543A 0.180934898938963 L1266B-N1491B 0.180349475879713 G3000C-I1311B 0.180314709832937 S558A-S1490B 0.179370144752594 G3010C-L1290B 0.179068913986339 M3013C-G1283B 0.178885785021587 A562A-A1318B 0.178821103818883 S2996C-P1268B 0.178311525097914 L1503B-V1509B 0.177678890876807 Y1271B-Y1316B 0.177487182309613 V3006C-V1284B 0.177267239188135 T553A-A1493B 0.176954266274155 F552A-G1502B 0.176499208930442 N563A-Y1316B 0.176163525336765 I3004C-W1306B 0.175728858454511 V1284B-F1289B 0.175121291073239 W550A-G1502B 0.174876039349578 Y3003C-G1303B 0.174382561589846 F1265B-T1317B 0.173868548354173 L3009C-V1304B 0.173839363543702 V1304B-L1310B 0.173744909610987 V527A-L1499B 0.172579720268637 L3005C-S1285B 0.172127424669096 G1261B-Y1497B 0.170199625406092 L531A-V545A 0.169977095274506 G526A-A1506B 0.169531288126104 L3005C-T1309B 0.169310020903357 N563A-S1490B 0.169199128822591 F552A-Y1316B 0.169053410442561 Y3003C-W1305B 0.16897668874153 W550A-T1309B 0.16867778505876 S1264B-Y1316B 0.168592235368462 P1268B-T1317B 0.168382129234418 G3008C-L1288B 0.1675273944436 V521A-V1500B 0.166830621581537 V521A-V1495B 0.166563982868927 A1270B-I1312B 0.16632792793644 V1262B-I1498B 0.166312626619931 I3004C-I1277B 0.165854373242333 I556A-T561A 0.165632814701786 S2994C-L1266B 0.163734697490384 A2999C-G3008C 0.163045872238234 G3007C-A1276B 0.162834866175414 D510A-T561A 0.160811852712798 A1276B-F1308B 0.160424013880557 A3016C-F1289B 0.160235245192508 I516A-I555A 0.159652076102756 R543A-Y1281B 0.159623188625445 I520A-I1498B 0.158954681464198 A1270B-S1315B 0.157929916570687 W517A-I556A 0.157643241236872 G1283B-V1301B 0.156176079105431 W1274B-T1309B 0.154191499462751 F522A-V527A 0.153927243326365 I3004C-A1280B 0.153013011494938 S558A-L1269B 0.152748929505571 S507A-Y560A 0.152468794074774 V530A-V548A 0.151796382763125 F1265B-S1315B 0.151663098563553 I556A-A1318B 0.149982212349582 A519A-I1498B 0.149681477160351 V1500B-L1505B 0.149428429421347 A2999C-E1272B 0.149057577260878 W1306B-S1314B 0.14894572133128 Y524A-V529A 0.148515573475635 S528A-W549A 0.147329767443895 P1293B-G1303B 0.146267202619075 F551A-F1265B 0.144761984467934 D510A-N563A 0.144663976508275 L2995C-V3001C 0.143687147979664 M518A-A1493B 0.143563495275934 V1291B-V1301B 0.143285544902787 I555A-Y1497B 0.143140129476958 I516A-Y1497B 0.142651601384603 Y560A-S1315B 0.142541275967067 S528A-P537A 0.141249632860005 Y524A-I1498B 0.140611006721912 F551A-G1502B 0.140330803027202 N2997C-I1311B 0.140006048085918 F1265B-A1321B 0.139336214509054 V529A-S541A 0.139255676123757 G526A-L1505B 0.138431341843297 R538A-A1506B 0.137870594244116 W550A-W1306B 0.137647373414981 V1262B-A1493B 0.137287531014195 F551A-S1314B 0.136773230117293 L2995C-E1272B 0.136411968429329 A3016C-R1299B 0.13639829472023 L533A-I544A 0.136371426974671 G3008C-G1283B 0.136327573257172 L554A-I1313B 0.136046306995495 F1308B-I1313B 0.135965585618228 S559A-V1495B 0.135841541586872 V3001C-S1314B 0.135674510008258 V1495B-V1500B 0.135380065475239 G3000C-G3007C 0.134794066332439 W550A-S558A 0.13466088353222 G1283B-L1290B 0.134569721004306 V529A-V548A 0.134264468104154 V534A-S539A 0.134179506467057 Y524A-Y1497B 0.133661522186331 A1270B-A1318B 0.133647636119274 L509A-L1489B 0.133486724788549 S1488B-F1496B 0.1325567934366 I555A-I1312B 0.132547310921953 G1261B-D1267B 0.132025159878498 L3009C-I3018C 0.131991935867399 I544A-T553A 0.131647086014697 F3002C-S1315B 0.131609048757635 N563A-N1491B 0.131536104528815 I3004C-L3009C 0.13150862545143 L3017C-L1288B 0.131481575405664 W517A-S1488B 0.13142260329134 S558A-L1487B 0.131053536768915 A523A-L1499B 0.131010306118116 W517A-T553A 0.130841992468815 V1492B-I1498B 0.130772604512928 W1274B-Y1281B 0.130379496467762 S2994C-V3001C 0.130208724864501 A513A-N563A 0.130108197183754 Y514A-Y560A 0.129562936927574 A542A-I1512B 0.129004588002023 S1264B-N1319B 0.128862362618255 L3011C-V1287B 0.128661090037288 I3018C-L1290B 0.128446873354573 I555A-I1311B 0.128325059503258 F3002C-F1307B 0.128025860291541 W549A-L1505B 0.127921012695488 F522A-A1493B 0.127831708667701 G526A-G1501B 0.127431422241671 G526A-A1493B 0.127365806538946 R538A-A1510B 0.127080337073037 V1284B-V1301B 0.12607430288058 W517A-Y524A 0.12592715302527 I555A-L564A 0.125025873333269 G3000C-Y1271B 0.125009158969402 I520A-W549A 0.124979781781138 N2997C-I1312B 0.12496113298259 S507A-A565A 0.124891682016846 S558A-A1493B 0.124891682016846 A523A-S1490B 0.124843451051317 G547A-G1501B 0.124834484030023 G3000C-I1277B 0.123483934586083 D1267B-S1315B 0.123175376056791 P511A-V1492B 0.121866698994793 M518A-Y1497B 0.121687308056843 V527A-S535A 0.121206912036697 N2997C-N1319B 0.121103197608288 L509A-S1488B 0.120963196395268 I516A-V521A 0.120817526778702 P537A-V1509B 0.120725035761353 S1285B-A1302B 0.120231824007705 V3006C-I1300B 0.120129416488595 G3008C-F1307B 0.120053392850639 I516A-I557A 0.119811049800106 G3008C-F1308B 0.119728910986693 V521A-A1493B 0.119716166401465 N563A-F1265B 0.119632687162474 L512A-N1491B 0.119423117156343 L2993C-W1274B 0.119415706778417 L512A-V1492B 0.11915402909952 M1275B-G1283B 0.119097896519435 V2998C-V1278B 0.118919313885041 F3002C-W1306B 0.118899514491732 L531A-V1509B 0.118894208704517 S558A-V1492B 0.118854335679312 V2998C-L1310B 0.1184664784676 A513A-S558A 0.118390034996351 I516A-T553A 0.11812382054537 L512A-N563A 0.117879435664452 A546A-L1499B 0.117856092254185 L3009C-A1280B 0.117763187898947 S541A-W549A 0.117550807996692 L531A-G1502B 0.117445525163079 Y524A-A546A 0.117364339675597 A519A-S1488B 0.117237690539653 L1320B-L1487B 0.11665152662778 S1264B-V1495B 0.116459997974163 V534A-A1510B 0.116429679616398 G1283B-A1302B 0.115917462496168 A2999C-G3007C 0.115915183018473 A513A-V521A 0.115549753195959 V521A-Y1497B 0.115397627437887 I1311B-L1320B 0.1149242247632 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