[Wed Aug 24 19:26:13 2016] >Input file: TM3O44CGD.pdb >TM segments: A151-163_A168-181_C1313-1325_C1330-1343_B732-744_B750-762_E2475-2487_E2492-2505_D1894-1906_D1911-1924_G3637-3649_G3655-3667_F3056-3068_F3074-3086 MAIDEN score = 753.3171 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 ----------- ---------------- Q1923D-F1315C 10 Y2502E-L1898D 10 Y1921D-L1317C 10 T158A-E173A 10 T1901D-E1916D 10 L3641G-Y178A 10 E1905D-K1912D 10 E2478E-S2501E 10 G741B-K752B 10 G1322C-K1333C 10 T3063F-E3078F 10 G156A-R175A 10 A751B-V163A 10 Y3664G-L3060F 10 V742B-L1334C 10 E162A-K169A 10 E1905D-P1911D 10 F734B-Q1342C 10 T739B-E754B 10 E154A-S177A 10 L736B-Y1340C 10 A1913D-V1325C 10 T1320C-E1335C 10 L753B-V161A 10 E162A-P168A 10 V2487E-A3075F 10 E2486E-P2492E 10 G1903D-K1914D 10 G2480E-R2499E 10 E743B-K750B 10 Q3666G-F3058F 10 A755B-G159A 10 E3067F-K3074F 10 T2482E-E2497E 10 E2486E-K2493E 10 E1324C-K1331C 10 E1316C-S1339C 10 E1324C-P1330C 10 L2496E-V1904D 10 E1897D-S1920D 10 Y759B-L155A 10 G160A-K171A 10 V744B-A1332C 10 Q761B-F153A 10 E3648G-K3655G 10 E3059F-S3082F 10 G737B-R756B 10 G2484E-K2495E 10 E735B-S758B 10 T3644G-E3659G 10 G3642G-R3661G 10 V2485E-L3077F 10 L2479E-Y3083F 10 E3640G-S3663G 10 F3639G-Q180A 10 G3061F-R3080F 10 F2477E-Q3085F 10 Q2504E-F1896D 10 G3646G-K3657G 10 G3065F-K3076F 10 G1899D-R1918D 9.99027082633194 G1318C-R1337C 9.9209210436133 A3656G-V3068F 9.56295974028723 G3057F-T3084F 8.34041103963955 G2483E-A3079F 7.48003756243958 G1314C-T1341C 7.10470933744602 G2476E-T2503E 6.84140770068495 V3647G-L172A 6.55359343273659 G3638G-T3665G 6.26617997722946 G152A-T179A 6.12292068894948 G733B-T760B 5.63618905674474 A757B-V157A 4.36004741365696 G1895D-T1922D 4.08292248966239 L3658G-V3066F 4.03841681560777 A2498E-G1902D 3.38361323351324 L1915D-V1323C 2.88077090112169 T3644G-L3658G 0.944032903475293 V157A-E173A 0.929464169584598 T158A-L172A 0.911395364292755 T3063F-L3077F 0.904602008853388 V3643G-E3659G 0.904599240737056 V738B-E754B 0.888385861142032 T739B-L753B 0.88451480527268 T2482E-L2496E 0.867212701222229 V1900D-E1916D 0.84961817388915 T1901D-L1915D 0.846925094816275 V1319C-E1335C 0.840154118198516 V3062F-E3078F 0.810606026314048 T1320C-L1334C 0.80819243208656 V2481E-E2497E 0.793823251110299 A2500E-V1900D 0.755460590491168 S2501E-L1898D 0.740146242914012 L3641G-S177A 0.734457696696663 L2479E-S3082F 0.72995212118755 L736B-S1339C 0.727363445886319 L1915D-E1324C 0.71387427312275 S758B-L155A 0.713102170296051 Y1921D-F1315C 0.698615780316244 Y3664G-F3058F 0.650354930778436 G3057F-S3082F 0.641115148380015 G1895D-S1920D 0.640037469336924 G152A-S177A 0.639063616257024 G3638G-S3663G 0.63738492461483 G733B-S758B 0.6368660164705 G2476E-S2501E 0.636626249492586 G1314C-S1339C 0.636166381453611 S3637G-S3667G 0.635624160920475 S3056F-S3086F 0.635568205977922 S2475E-S2505E 0.635539442903142 S1313C-S1343C 0.635510144192665 S151A-S181A 0.635493264690645 S732B-S762B 0.635364208981322 S1894D-S1924D 0.635284040288852 A2494E-V1906D 0.620317537737364 F1896D-A1919D 0.606628470294753 F734B-A757B 0.606370579371361 F3058F-A3081F 0.605880322452428 F1315C-A1338C 0.605721978230411 F3639G-A3662G 0.605214751700984 F153A-A176A 0.605171885336893 F2477E-A2500E 0.604554531441627 F3639G-S3663G 0.604293120272748 F3058F-S3082F 0.600913190572456 F1896D-S1920D 0.600875166634084 L3060F-R3080F 0.598084444623186 F1315C-S1339C 0.592414551214962 L2479E-R2499E 0.592175993484592 F2477E-S2501E 0.591619182166172 F153A-S177A 0.590987293072417 S3663G-L3060F 0.590548929832456 Y1921D-G1318C 0.589645546477241 F734B-S758B 0.587324440084317 V3649G-A170A 0.575586153790677 F153A-Y178A 0.575081554368557 L155A-R175A 0.574793183774673 A3662G-L3060F 0.574486590531509 F2477E-Y2502E 0.573465968769257 Y3664G-G3061F 0.572924218915879 A1919D-L1317C 0.572763452559147 F3639G-Y3664G 0.569331602615564 L736B-R756B 0.569146595214995 G740B-A1336C 0.567350687792782 K1912D-V1325C 0.560395021192633 S1920D-L1317C 0.554501918362918 F3058F-Y3083F 0.553287641719172 L1898D-R1918D 0.552763378623023 F3639G-T3665G 0.548043521696012 F153A-T179A 0.54789328953268 F2477E-T2503E 0.546881441718669 F3058F-T3084F 0.545363698824313 F1315C-T1341C 0.540194075762128 F1896D-T1922D 0.540076549416988 F1896D-Y1921D 0.539531034576466 F1315C-Y1340C 0.534923898836129 S1920D-G1318C 0.53344370072219 F734B-T760B 0.528837574201222 A2494E-V1904D 0.522224384465351 F734B-Y759B 0.521225052349664 L3641G-R3661G 0.504938546128294 A2498E-V1900D 0.503888493999244 S3663G-G3061F 0.50336728695516 K1914D-V1325C 0.49975362875392 V2481E-A3081F 0.495537917245255 E2497E-G1903D 0.490255891569122 E3659G-G3065F 0.490002540864115 E1916D-G1322C 0.489986276732113 G3646G-E173A 0.489890531534056 L1317C-R1337C 0.479153668607267 L3658G-E3067F 0.477805954761752 K1914D-V1323C 0.468014020946103 G741B-E1335C 0.46630568550752 A1919D-T1320C 0.463663466500728 G3642G-Y178A 0.462740071104423 G737B-Y1340C 0.461328318714883 V3643G-A174A 0.45954740491965 A3660G-V3062F 0.457801029680287 K3657G-V3068F 0.457633509755404 G2484E-E3078F 0.455449391026021 A2500E-L1898D 0.452595567893891 V3649G-K171A 0.450325777899219 V742B-K1333C 0.447287603510714 E735B-T158A 0.445317236614263 T739B-E162A 0.445104648494891 E2486E-T3063F 0.441728481597425 P2492E-K3074F 0.44104337063889 K1912D-P1330C 0.439645271909904 T2482E-E1905D 0.437282395908485 A1917D-V1319C 0.436739868457062 E2478E-T1901D 0.432113892238915 E743B-T1320C 0.430125092363473 T2482E-E3059F 0.426968906167978 T1922D-L1317C 0.42673592603132 V744B-K1333C 0.426405511018742 A751B-V161A 0.426175659182047 L3641G-A176A 0.424848888213228 S151A-Y178A 0.422312270444241 S2475E-Y2502E 0.421597164797211 S3637G-Y3664G 0.421253708619002 S1894D-Y1921D 0.421014362678216 S3056F-Y3083F 0.4208463717071 E754B-G160A 0.420078199168491 S1313C-Y1340C 0.419727324832259 S1924D-G1314C 0.419630647090211 S732B-Y759B 0.418365481710159 T3644G-E3067F 0.41784249698073 V3647G-A170A 0.417080563467952 E3648G-T158A 0.41610510262364 L2479E-A3081F 0.413615067864079 V3643G-L3658G 0.407343933420532 K750B-P168A 0.407224722734893 V157A-L172A 0.406424586451692 T739B-E1316C 0.406026998590933 V738B-L753B 0.403920586323934 V1900D-L1915D 0.403414690353642 V3062F-L3077F 0.402769116706811 T1901D-E1324C 0.400861836836099 V1319C-L1334C 0.398872788327895 V2481E-L2496E 0.397846806118692 A757B-L155A 0.395937272734847 T3644G-E154A 0.395030246197319 A3662G-T3063F 0.391485058172304 F2477E-Y3083F 0.384460606019847 L2479E-S2501E 0.383748756618685 L1898D-S1920D 0.383634250863356 L155A-S177A 0.380398244677469 L3060F-S3082F 0.38026056761729 G3642G-S177A 0.380006295546807 A1913D-A1332C 0.379519341579616 A755B-A170A 0.378835755187127 S1924D-F1315C 0.376981361393593 G160A-K169A 0.376477981803991 E3640G-T3063F 0.375873044009809 K2495E-V1906D 0.375194177567875 A755B-V157A 0.372863551016554 G2484E-K2493E 0.371876789871212 G1903D-K1912D 0.371665254261583 L3641G-S3663G 0.370508978517659 L736B-S758B 0.36949597179585 T739B-A1338C 0.369396170841898 P1911D-V1325C 0.368407855027322 L736B-A1338C 0.3672355770725 L2496E-G1902D 0.364738085371552 G3646G-K3655G 0.364364606058537 L1317C-S1339C 0.362150355180923 A751B-A1332C 0.361936768716514 G741B-K750B 0.361071415903967 T3644G-A176A 0.359366813425804 V2481E-A3079F 0.359142597870079 T3665G-L3060F 0.358887124261334 G737B-S1339C 0.358680172542413 G3065F-K3074F 0.358468052955843 Y178A-V3062F 0.357128315975479 V2481E-Y3664G 0.356957087677027 V744B-P1330C 0.356597198962124 A751B-K171A 0.353824751202104 G1322C-K1331C 0.353275438649157 R756B-G156A 0.352690133140602 V2487E-K3076F 0.350454740767675 G737B-R1337C 0.349453826401838 G737B-E754B 0.349372400942277 G1318C-A1338C 0.34919213839201 G156A-A176A 0.349031663487966 G2480E-A2500E 0.348605294185051 G1899D-A1919D 0.348487965332732 G3642G-E3659G 0.348468297862875 G3642G-A3662G 0.347844222182724 G156A-E173A 0.347597990829604 K2495E-A3075F 0.347570376832641 T2482E-A3081F 0.346979296708632 K3657G-A170A 0.34581829314692 G3646G-A174A 0.345096116923505 G3061F-A3081F 0.345010019805037 A757B-K171A 0.344720863462691 A3656G-K3076F 0.344330091007103 E743B-G1321C 0.344247483288943 E2486E-G3064F 0.343715073389098 G737B-A757B 0.342643970877151 G1899D-E1916D 0.342520180492743 A2500E-K1914D 0.341814675198212 E1897D-T1320C 0.341340200897633 G741B-A1336C 0.340923050802524 A2498E-A1913D 0.340533876508203 K1912D-K1331C 0.34046450925779 G3645G-L172A 0.339581986539513 G3061F-E3078F 0.339336403148057 G2484E-A3079F 0.338605139865673 G1902D-E1324C 0.338293901134692 G1318C-E1335C 0.337617709408407 G2480E-E2497E 0.33714390363594 G3645G-E3067F 0.336594837572085 G740B-E162A 0.331997200502636 K3657G-V3066F 0.331374239924616 G2483E-E1905D 0.329910639337597 A2494E-A3075F 0.327431073342497 V742B-K752B 0.326386595959351 F734B-E1316C 0.326062870861243 A2494E-A3079F 0.325604915950144 V161A-K171A 0.325601552229491 K3655G-V3068F 0.325217765965697 V3647G-K3657G 0.324956417442426 V1323C-K1333C 0.323874267542648 G740B-E754B 0.323727769246493 V2485E-K2495E 0.323433353920371 E735B-F153A 0.31965077253672 K752B-A1332C 0.319294282123043 E3640G-Q3666G 0.318808851993619 E3059F-Q3085F 0.318503501554423 E1316C-Q1342C 0.318370164881176 V1904D-K1914D 0.317269577174076 E2478E-Q2504E 0.317179402889845 E1897D-Q1923D 0.316340993870343 F3639G-Y178A 0.315459087189204 S3667G-G3057F 0.315123921729456 E154A-Q180A 0.315103739338087 E735B-Q761B 0.314913831511912 A2500E-T1901D 0.314761375701687 E3648G-G159A 0.31451336098645 G159A-E173A 0.314382164288308 A3660G-G3065F 0.314236249487211 G1903D-G1321C 0.314010148547605 L753B-G159A 0.313411172558284 K1914D-G1322C 0.313338004332302 V3066F-K3076F 0.312617157387023 G2483E-E2497E 0.309945344007448 G3064F-E3078F 0.309935153811618 F2477E-E3059F 0.306602053280562 G2480E-R3080F 0.306062663786614 A3656G-A3075F 0.305025382238107 Y1921D-V738B 0.304525577676172 G1902D-E1916D 0.303567920604571 G1321C-E1335C 0.30353165489055 A755B-T158A 0.303521721581307 V2485E-K3076F 0.302397457675244 A757B-T158A 0.300921849019968 G3645G-E3659G 0.300750668205535 Y2502E-V1319C 0.300561740153526 K2495E-A3081F 0.299343133290039 A2494E-K1914D 0.296706613151877 A1913D-K1333C 0.296368036387755 A751B-A170A 0.296100548304201 G740B-G1322C 0.294359774362576 L736B-A755B 0.292048577824205 E1916D-K1333C 0.29196135592808 L3060F-A3079F 0.291772547912002 L155A-A174A 0.291305922197866 L2479E-A2498E 0.291260869067477 E2478E-F1896D 0.291062010343545 L1898D-A1917D 0.290985146382929 A2498E-G1903D 0.290714746576038 L1317C-A1336C 0.290368731825366 L3641G-A3660G 0.288126722127719 L3658G-G3064F 0.287397325414518 V1900D-Y3083F 0.285531467723862 S1920D-A1336C 0.285359500773519 F3639G-E154A 0.284278481107305 G3642G-L155A 0.283956986715128 K3657G-E173A 0.281888389943998 L736B-G159A 0.281063084902493 E3659G-K3076F 0.280990182031846 F734B-Y1340C 0.28097104012595 S3667G-F3058F 0.279296159528913 V738B-A1336C 0.278722676787959 K752B-V163A 0.278063032543071 L1898D-G1318C 0.278047269969854 L3641G-G3061F 0.277189976881043 Y2502E-F1896D 0.277071818747896 V744B-K1331C 0.277038492791263 L2479E-G1899D 0.276835804749469 A1919D-V1319C 0.275639913661941 G3646G-G3064F 0.272462073343646 S1894D-G1314C 0.272386942349042 E3067F-A3075F 0.27219767093426 R1918D-E1335C 0.270798886582649 E743B-A751B 0.270433476361178 K752B-P168A 0.269957264290847 E1905D-A1913D 0.269933900116414 E162A-A170A 0.269214306516662 E2486E-A2494E 0.26917031494922 E3648G-A3656G 0.268994427747421 E1324C-A1332C 0.267974418785013 K3657G-A176A 0.264458746388152 G2483E-L3077F 0.264329738746434 R3661G-G3064F 0.264173230449134 R1918D-A1336C 0.263840219002926 R3661G-A3079F 0.263509012358246 A1917D-G1322C 0.26134119315325 G2480E-S3082F 0.261092947002533 G741B-K1333C 0.260588682659295 E3640G-V3062F 0.260041738393982 E743B-V163A 0.259864183233716 V3643G-E154A 0.259779880099337 K2493E-P1911D 0.259566219080445 R3661G-Y178A 0.258740895315232 R3661G-E3078F 0.25791518096426 Y759B-F153A 0.257029735418001 S1920D-V1319C 0.256578134438849 R756B-Y1340C 0.256354984024527 V3649G-E162A 0.256183771938597 Q1923D-S1313C 0.255474305237876 G2483E-G3065F 0.255325652954955 F1896D-G1318C 0.255271476389024 G3645G-R175A 0.255160062853774 G737B-L1317C 0.253053621983476 S3637G-G3057F 0.2529532095394 E2497E-K1914D 0.252695791015749 L3641G-T179A 0.251809616612224 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