[Wed Aug 24 17:21:48 2016] >Input file: TM1UJWATD.pdb >TM segments: A22-53_A122-133_A139-146_A148-156_A166-174_A199-207_A216-223_A249-255_A263-269_A297-303_A311-317_A339-345_A353-359_A370-376_A385-392_A417-422_A432-438_A462-468_A478-484_A501-507_A517-524_A544-551_A561-571_A583-591 MAIDEN score = 14.5342 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 ----------- ---------------- W418A-R437A 10 Y522A-S545A 10 S155A-L169A 10 Y203A-Y221A 8.37897322563157 A357A-W371A 6.24217653717812 D153A-D171A 4.0260742673679 Y341A-R358A 2.96319089200921 A205A-R219A 2.03506488942571 T201A-Y223A 1.69543775215322 E207A-F217A 1.669901374365 L345A-E354A 1.59395065006254 L265A-W300A 1.40710509611352 F385A-F422A 1.37708386205242 I433A-A466A 1.3187136467154 A550A-K564A 1.26805495107585 I386A-A421A 1.26068898524035 I311A-L345A 1.24362360319201 T201A-Y221A 1.2436109099454 L507A-I518A 1.22823879718115 L549A-I565A 1.22623125952783 I518A-L549A 1.22125571629052 L49A-K504A 1.18459581228428 F422A-I433A 1.18067947595149 W547A-F569A 1.11321495552675 Q502A-L523A 1.06405660218588 L206A-V218A 1.05196529354081 R36A-A550A 1.04671726082451 W547A-L568A 1.03045031078819 W144A-L588A 0.989826022965127 T267A-V298A 0.988552423183043 L23A-E354A 0.96439236076167 I565A-Y586A 0.955816425597459 E419A-Y436A 0.954162042969211 I140A-V154A 0.93297214911318 A142A-Y152A 0.928398138899578 R36A-V551A 0.892041566952438 L345A-F353A 0.890185741820647 L254A-L265A 0.887265176605228 L507A-T519A 0.846326927807469 V298A-W317A 0.830668081174179 L254A-I266A 0.826209846138146 W300A-V315A 0.825707663480826 L546A-K571A 0.824508157970874 F353A-T373A 0.810243742960606 W547A-A566A 0.808596221920288 D153A-L169A 0.781585612739458 Y172A-K200A 0.78088938836296 I518A-W547A 0.766014948089118 Q521A-L546A 0.755084749758581 I565A-R584A 0.753688915362275 V22A-E354A 0.747613754112607 L23A-I386A 0.744830145637464 I386A-E419A 0.738407271053054 L523A-V544A 0.729918435098039 L206A-F217A 0.712405272302441 L549A-L568A 0.702016933747631 V166A-L206A 0.699406099479102 P50A-K504A 0.69747055250282 W37A-A550A 0.692447614275026 A550A-R562A 0.680290019308288 L169A-L202A 0.678312262645598 Y341A-A356A 0.670343319983177 D548A-L568A 0.642017562872518 G376A-I386A 0.637531009081794 A387A-W418A 0.635418773719666 V464A-V484A 0.632853650820959 Q521A-W547A 0.631790742988929 S388A-G420A 0.625866831422046 T167A-A205A 0.623639424519446 V218A-W250A 0.615875754436082 V166A-G204A 0.606871171646676 G355A-S374A 0.601335660954458 V315A-I340A 0.598360052793608 F385A-G420A 0.593496497813812 I266A-Q299A 0.58612055265424 S155A-G170A 0.575801955186375 I34A-V45A 0.567534533894052 T167A-Y203A 0.556930432890669 A421A-R432A 0.55139618424753 Q299A-W317A 0.550897570382006 I123A-S392A 0.548033951613947 V503A-L523A 0.547816689070132 G463A-V484A 0.547633126324284 V29A-I34A 0.547618969730911 L568A-E585A 0.546212422961815 L546A-F569A 0.543991273579572 L46A-V52A 0.539398815010889 G222A-S249A 0.537113742913093 Y221A-W250A 0.53199557590706 V154A-L169A 0.528453642560671 W37A-K564A 0.51615164936802 S141A-S589A 0.510646295154825 F217A-D251A 0.510390759254129 W144A-T587A 0.497834787949724 G355A-W371A 0.495809343109427 D548A-F569A 0.494735332885496 A205A-F217A 0.489522744935891 G143A-Y152A 0.483479637675215 D548A-A566A 0.48315493706752 E139A-D153A 0.480127632316785 G170A-K200A 0.470250552289994 Y149A-T587A 0.469212752825202 L23A-A375A 0.464938598316974 Y149A-A173A 0.462139911825404 I311A-L342A 0.461838424021415 G435A-E465A 0.459003221986285 Y520A-S545A 0.45839532162686 I266A-V298A 0.456000960309042 Q521A-K571A 0.451263093551855 Q502A-Q521A 0.444941028139549 G390A-W418A 0.443845315868892 Q150A-K200A 0.441529244956186 T519A-W547A 0.437878607584782 Y522A-L546A 0.437279977549151 F217A-L254A 0.430118114382836 F569A-R584A 0.428319101448776 T478A-L507A 0.428039049024722 W37A-G517A 0.412963017838997 R36A-G517A 0.412523784698553 Q38A-Y149A 0.412464071532859 S249A-S268A 0.411800386648474 I140A-Y152A 0.411198413738052 E139A-T167A 0.410412510254127 S263A-W300A 0.406826247113339 Q506A-I518A 0.405485600722684 A301A-D316A 0.402724316123129 E465A-V484A 0.394287197901055 L523A-S545A 0.392803917199473 E419A-K462A 0.390315731092896 F353A-G376A 0.387100645986786 I266A-W300A 0.386597977022243 T519A-L549A 0.385870307256937 L23A-S374A 0.382306733019892 Q417A-Y436A 0.380185117071697 F422A-S434A 0.377442090864493 G220A-W250A 0.3751752595181 V503A-Y520A 0.374898772497415 K462A-Q501A 0.374207805715604 V42A-R47A 0.373989678036131 P50A-Q502A 0.373914492664973 H174A-K200A 0.37332515167448 N151A-H174A 0.370320985683392 I433A-V464A 0.369206325654932 F353A-S374A 0.368867019247086 A550A-I565A 0.367384567360608 D171A-Y223A 0.365769314104501 L169A-T201A 0.364287357021117 V154A-L168A 0.36356572917001 G253A-I266A 0.362030906368967 W144A-N151A 0.361017015320074 Q38A-K564A 0.360702143029587 K571A-G583A 0.359165856039564 L265A-A301A 0.35704753357676 W371A-T391A 0.357026495503864 V45A-Y505A 0.356275952179209 L549A-A566A 0.356182017808251 V45A-Y520A 0.355997399470064 L168A-A205A 0.355275521674941 A252A-I266A 0.354918470655966 G344A-F353A 0.351595725839022 W144A-S589A 0.350352210178523 W37A-V45A 0.349387668672409 Y481A-Q501A 0.347541916916448 T156A-L168A 0.347352062668067 L23A-G376A 0.346862803120281 E207A-G216A 0.345011690793607 D482A-Q502A 0.34485191797196 S155A-T167A 0.344843092237115 Q150A-Y172A 0.344248987740896 V464A-Y483A 0.343304321797211 V561A-L588A 0.342813607134765 V464A-Y481A 0.342440334180038 G435A-K462A 0.341712522674224 I386A-F422A 0.340925091080873 V166A-Y221A 0.338721128926037 W371A-S392A 0.336113317180318 S41A-H174A 0.335302052743558 G563A-S589A 0.335259900359607 N567A-G583A 0.333701867441247 A375A-I386A 0.330440800467173 T297A-W317A 0.329934820660022 V298A-V315A 0.329144201451069 T343A-A356A 0.329007725406837 G344A-A375A 0.328044786770936 V479A-V503A 0.327709412245459 S146A-H174A 0.327586319279625 G376A-E419A 0.327483312325495 T391A-E419A 0.323921166906604 E354A-G390A 0.323575797790348 A356A-S392A 0.322706678269198 K564A-R584A 0.322486552564758 T297A-D316A 0.322308643131173 G124A-Y389A 0.321332154671707 A205A-S249A 0.320239992914303 T27A-L49A 0.320088226934264 G143A-Y149A 0.31503335408061 A205A-G253A 0.313897312187028 Q264A-A301A 0.312964787174924 Q38A-E585A 0.312778255122516 Y483A-Q502A 0.311937926015005 Y203A-R219A 0.308759533744209 T40A-E585A 0.308186229758887 V52A-Y505A 0.308106043054656 T156A-L169A 0.306913689333182 G220A-G253A 0.306848121392763 Q501A-Y522A 0.306734744731523 I518A-A550A 0.305223612267265 Y152A-A173A 0.304141427301909 P50A-Y520A 0.303873422578059 D44A-V52A 0.303282447194672 Q299A-G314A 0.301745806149229 T467A-T478A 0.301565058866796 L546A-L568A 0.30079811172038 D35A-V561A 0.300597118229234 N302A-I311A 0.299280507578283 S141A-A173A 0.299125360920679 S155A-A205A 0.298761565121382 E419A-G435A 0.298386309900614 G51A-S434A 0.297748029813939 A313A-L342A 0.296430723425186 A313A-I340A 0.295816374540022 S39A-G563A 0.29500193953678 E139A-L169A 0.29486056035296 L523A-L546A 0.294442846789504 A24A-G124A 0.29399938768247 G563A-S591A 0.291902919393871 E354A-A375A 0.29176025975486 A301A-G339A 0.291329057881659 S480A-V503A 0.29058083105134 G145A-G583A 0.289693694875726 H174A-E585A 0.289657875606396 G253A-A301A 0.288630511357519 P25A-Y389A 0.287589810954788 D171A-Y203A 0.287046986187586 L202A-Y223A 0.286245718962986 A142A-G563A 0.286172595416394 Q264A-W300A 0.285709224476058 D570A-E585A 0.284864837180039 T370A-G390A 0.284464955227595 G145A-A173A 0.28386409210778 D53A-V503A 0.283568778816798 A142A-G170A 0.282429723259655 L168A-L202A 0.282087186041421 K504A-L523A 0.280338646245099 D33A-R48A 0.27999312289081 G563A-Y586A 0.278957900696595 P50A-Q521A 0.277964786509448 L46A-D53A 0.274609760939807 V45A-D548A 0.272441930959598 A142A-Q150A 0.271798075723398 A421A-G435A 0.271716443925865 R47A-Y481A 0.271661898588168 W300A-W317A 0.271260312862674 H174A-Y223A 0.269866732933989 D153A-Y203A 0.269237878214618 D316A-R358A 0.267735980150586 D153A-G590A 0.267260611236058 R437A-G463A 0.26646567177621 P50A-Y436A 0.26569038275881 D482A-Q501A 0.264829436854725 G51A-G524A 0.264602625196941 G125A-N438A 0.263017489283672 D35A-G590A 0.261367434522411 V218A-G253A 0.261139177995785 G124A-W418A 0.260814258781683 W547A-G583A 0.260723908692165 N302A-G344A 0.260197315336726 Y522A-D548A 0.258640041998928 I266A-T297A 0.25839748144702 V544A-K571A 0.258288740358376 G344A-W371A 0.255103132066432 L265A-V298A 0.255099916082718 T26A-E465A 0.254992906331663 S146A-L588A 0.253974978235474 W547A-K571A 0.253616658795526 A421A-I433A 0.252628662374727 T131A-W250A 0.251614794814078 G312A-E354A 0.25090991839005 A24A-R432A 0.249992494431299 Q372A-E419A 0.248816293741071 D171A-G222A 0.247745858232973 D33A-D548A 0.247652222258091 S480A-Y522A 0.247587121652205 T167A-T201A 0.246453743663232 D35A-D548A 0.246112341954757 D251A-D316A 0.245938708668255 G51A-Y505A 0.245063063268175 D53A-V127A 0.244192189966921 I34A-S39A 0.243046460446866 L345A-G355A 0.243018558802884 Q32A-Q506A 0.242639704881104 R48A-Y520A 0.241439810435318 T167A-L206A 0.240987078230347 T26A-T478A 0.240063493280907 T40A-T201A 0.239746612900584 D316A-Y341A 0.239630419842838 S39A-G143A 0.237207304675866 S388A-E419A 0.235835129051077 T267A-Q299A 0.235406812418872 Q32A-R48A 0.235209076612485 Q372A-S388A 0.233582234717782 Q521A-V544A 0.233220752229404 T343A-A357A 0.232791120191487 D482A-Y505A 0.232156944024325 Y221A-D251A 0.231453254619845 Y505A-S545A 0.231443386939993 N151A-A173A 0.231016028155922 G339A-R358A 0.23087127486898 L342A-A357A 0.230800845601658 V42A-D53A 0.229858144375552 S41A-L46A 0.229013741375692 G390A-G420A 0.227470082668453 T131A-L168A 0.227389596756225 G216A-D251A 0.227328229911344 Q501A-L523A 0.227262975601811 G517A-A566A 0.227207968388182 D44A-K504A 0.226959708126633 G517A-D548A 0.225495438985617 Y436A-D482A 0.225213158891185 Q521A-R584A 0.225198088237674 R219A-S249A 0.224918529119305 V52A-Y522A 0.224571688636279 Q38A-R584A 0.22429582187958 G51A-Q521A 0.223546711191886 Y436A-E465A 0.222495567888171 V22A-G344A 0.22029065589962 Y522A-F569A 0.220164810445389 S41A-K200A 0.218260915754044 D53A-Y522A 0.21591544132743 N151A-R562A 0.215158236449556 A173A-K200A 0.213946092086232 W37A-K504A 0.213082069697802 D53A-G524A 0.211966564360246 V551A-G590A 0.211684802843735 S263A-V315A 0.211206020880689 K462A-Y483A 0.210778332755341 D171A-Y221A 0.21048403842069 L342A-A356A 0.209297046935317 D570A-Y586A 0.209135092784738 T467A-V479A 0.207238785082021 G145A-L588A 0.207049103638562 A24A-F353A 0.206609235947536 I123A-T391A 0.20648523749668 T26A-I386A 0.205974582783905 V315A-L342A 0.205492678026729 A24A-F422A 0.204580423475372 Q501A-S545A 0.203452895344997 S141A-V154A 0.202004508820664 S374A-S392A 0.201776881340427 T26A-I433A 0.201734563774682 D33A-G517A 0.201537649991665 Q521A-F569A 0.200957062769361 T27A-I34A 0.200571436451495 V52A-S480A 0.200237637331052 Y520A-K571A 0.200142182828141 T297A-I340A 0.199361749596452 V22A-L345A 0.199095043635 T40A-W144A 0.198162724302623 Q264A-N303A 0.197425035195041 T40A-G563A 0.196668130219081 S39A-S591A 0.195840511678971 R133A-V166A 0.195808291301238 G314A-S359A 0.195174455500638 G420A-N438A 0.194487622878164 D548A-T587A 0.193989377195585 T26A-I129A 0.193958537185024 A142A-S155A 0.192843462794356 G253A-Q264A 0.192618997405084 A357A-S374A 0.192324580402641 A387A-R437A 0.191555426246578 L523A-N567A 0.191274409636441 T26A-A421A 0.191267078656985 R36A-K564A 0.191118246616782 A566A-G583A 0.191031020198571 Q372A-G390A 0.190364268385939 S374A-I386A 0.190178479948447 N151A-T201A 0.189489109393052 T40A-A550A 0.188849500163499 S39A-Y149A 0.1884608649342 N567A-T587A 0.187728904708005 T26A-G124A 0.187519238315884 V561A-Y586A 0.187479180708802 A24A-F385A 0.18709830551891 A24A-E465A 0.186840662477657 G143A-T587A 0.1867885706468 S434A-A468A 0.18661729722522 N43A-S199A 0.185314990782703 D53A-L523A 0.185229536810721 L546A-D570A 0.185007904747915 I311A-G344A 0.184168083472079 D153A-A173A 0.183955689202237 R562A-S591A 0.183595777758887 A301A-I311A 0.183259561825012 G125A-Y389A 0.182942776551857 W37A-T587A 0.181394615062379 Y520A-A550A 0.181286626879611 G463A-D482A 0.181147043013354 V29A-R36A 0.18108309266599 T373A-G420A 0.18086486172047 A205A-G220A 0.180572118299655 P25A-Y481A 0.180458221854828 V28A-R48A 0.180248732332603 R48A-Q521A 0.179686816932155 F385A-A421A 0.179408888989 S434A-V484A 0.179236021713712 Y149A-G563A 0.179119535811216 G563A-E585A 0.178927106851344 D153A-R562A 0.178664315868123 S199A-Y221A 0.176256940740073 P25A-S480A 0.176246988864869 W418A-N438A 0.176218699546882 D44A-R584A 0.175902806787934 R31A-D153A 0.175832797197439 W37A-R47A 0.175611604193571 T132A-L169A 0.175008868789929 P50A-T467A 0.174380231509042 T132A-T201A 0.173462547165226 V28A-L49A 0.173173631327091 A356A-Y389A 0.172485271668616 D35A-R133A 0.172236198045143 D316A-I340A 0.17110826005722 I311A-T373A 0.170917421898678 G51A-Y522A 0.170908300572986 G463A-Q502A 0.170898997565717 S374A-Y436A 0.170555195634682 P25A-G463A 0.170482059960912 S41A-Y172A 0.170379548554363 S155A-Y221A 0.16918134415701 S39A-A173A 0.168981402699481 W300A-Y341A 0.167819209499934 T27A-K504A 0.16770093561934 Q372A-T391A 0.167258440056615 R255A-N303A 0.166153458244016 R36A-S591A 0.165996574147983 D44A-K564A 0.165938700364967 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