ddG_data.csv

Pairs,Exp.ddG,CS-1.ddG,CS-1.ddG_err,CS-2.ddG,CS-2.ddG_err,Both_CS-1_CS-2.ddG,Both_CS-1_CS-2.ddG_err
4FSZ_4FSW,2.9635279115806354,2.391200382592061,0.12548676961646987,2.5298900047824033,0.231564022834562,3.2400765184122453,0.1727300938149995
2YIT_2W7X,3.14466860741112,2.4964131994261116,0.17586299386128063,-0.628885700621712,0.192279870807983,1.257771401243424,0.3533317175329914
2ZDA_2ZHQ,3.097495558076876,2.8718316594930653,0.09086561453849831,2.74988043998087,0.0860832137733142,2.692491630798661,0.0980392156862745
2ZDA_3P17,5.344214535767317,6.3127690100430405,0.3443328550932568,1.5399330463892873,0.24151123864179816,3.957436633189861,0.2534672405547585
3RLW_2ZHQ,3.143635361751418,0.16260162601626177,0.41126561178543086,0.5595408895265499,0.32443751804632937,0.17934002869440457,0.2622155930112543
2ZO3_3DHK,3.445215972869359,2.527498804399807,0.4198514818907287,-0.6599713055954066,0.321356336564574,0.5188904830224811,0.2565279948759476
1MQ6_1MQ5,2.9365576390929915,4.868483978957412,0.4151402093609838,3.646580583452893,0.26755812014728575,2.790530846484925,0.3521240471249118
3D7H_3SJF,3.9115208976029527,7.501195600191296,0.4447632711621234,5.62649450023912,0.3825920612147298,8.2831181252989,0.37780966044954567
3D7H_3IWW,3.429058117079968,5.004782400765183,0.8130081300813007,5.004782400765183,0.7580105212816833,-5.920612147297944,0.748445719751315
2VJ6_2VIY,2.91806151658924,5.930176948828314,1.0017074900398124,2.74988043998087,0.464287131490856,3.6537541846006696,0.5582313500683285
2EA2_2GA2,3.3231002950337936,-1.0951697752271636,0.15879443056799608,-0.00956480153036804,0.23498334797932852,-0.8656145384983264,0.17475405442939704
3CP9_3CPC,2.7496270987078453,-1.0593017694882847,0.21152326653460224,-0.9325681492109086,0.2280056899294159,-0.12434241989478961,0.20212362945006368
2CM8_2BGE,4.191703994454909,1.3151602104256335,0.0545277582543825,3.170731707317074,0.06851529785697945,2.357723577235772,0.0770025929608064
3UMW_3UMX,2.7532890956795684,1.097560975609756,0.32998565279770437,0.9230033476805355,0.2630320420851267,2.766618842659015,0.2845528455284552
3FH8_3FUM,4.054373328854144,1.999043519846963,0.12896974232579436,4.466762314681969,0.07335180129209931,4.38785270205643,0.0666111347545869
3FH8_3FUL,4.147589979882022,4.684361549497847,0.12896974232579436,3.1085604973696794,0.10323784383033428,4.151123864179818,0.13838006978699458
2FWZ_1UY9,3.387376492821999,2.99378287900526,0.35389765662362505,2.7235772357723578,0.25585844093735055,3.3955045432807265,0.2271640363462458
2ZC9_3SI4,3.9055390010138877,0.8177905308464849,0.14108082257293159,-0.0549976087996174,0.10043041606886656,0.40650406504065034,0.15064562410329985
2ZC9_3QTV,2.8575300554417034,2.4485891917742704,0.16499282639885218,1.219512195121951,0.13151602104256335,0.9253945480631276,0.18890483022477284
2ZDA_3SI4,6.158427497344062,4.9426111908177806,0.25515351834709243,3.758967001434713,0.38528019061573915,4.105691056910559,0.2293184854378476
2ZDA_3SV2,5.729096209469171,4.392635102821616,0.45671927307508364,4.30416068866571,0.40172166427546624,3.567670970827355,0.4662840746054519
2ZDA_2ZFF,4.170916260202136,3.809182209469153,0.29650884744141554,3.9933046389287417,0.392156862745098,4.098517455762793,0.39454806312769003
2ZDA_3QTV,5.110418551771876,2.2835963653754208,0.23166277082320158,0.6838833094213327,0.1459416022923685,1.5997130559540882,0.2928805639235313
1YW8_1YW7,2.924601116277416,2.187948350071736,0.16422864498988785,2.58727881396461,0.20826792527897345,3.053562888570062,0.1279012828342069
2ZDA_3SI3,5.77618310406421,4.868483978957436,1.025824964131994,5.315638450502152,0.4782400765184122,4.3185078909612615,0.9684361549497846
2ZHQ_3SI4,3.0609319392671854,2.926829268292683,0.3562888570062171,3.197034911525585,0.41367766618842655,2.0038259206121474,0.588235294117647
2ZC9_3QTO,3.5684942559289023,-0.6456241032998565,0.12195121951219512,-0.3802008608321377,0.1530368244858919,-0.3825920612147298,0.14347202295552366
1OWD_1OWE,2.7264061738926118,3.6202773792443805,0.24868483978957434,2.42467718794835,0.23433763749402198,3.6991869918699187,0.27020564323290286
2FZZ_3KQE,3.31330147154455,-0.4017216642754679,0.17391770966970999,2.159253945480628,0.25469371118039413,0.01434720229555291,0.1469761775287356
2ZDA_3QTO,5.821382752259076,4.61501673840268,0.4853842284923004,5.2725968436154975,0.14219099710491157,4.947393591582974,0.2018263782497292
2ZNK_2ZI2,3.3452999534577383,2.4820659971305594,0.15542802486848398,1.1884265901482542,0.15781922525107603,2.3266379722620756,0.21520803443328548
1H1S_1H1R,3.5207270212773434,1.7288378766140602,0.11238641798182686,1.7910090865614536,0.11716881874701099,1.0856049736967956,0.11716881874701099
2UZB_2UZE,3.537611249216955,-0.06934481109516977,0.549976087996174,-0.2725968436154949,0.6982305117168818,-0.784313725490196,0.4925872788139646
3FH5_3FUM,4.484660944193511,4.241989478718315,0.43573025250798003,1.9416547106647546,0.3567379270920044,4.8995695839311315,0.39611733771616014
3FUI_3FUM,4.135282719337367,-1.0377809660449553,0.5585078365785686,1.7910090865614525,0.42952508876247475,0.07651841224294433,0.38877418028396943
3L08_3S2A,2.9030777352550254,0.07651841224294602,0.2453632606376919,-0.3156384505021521,0.18987094721286768,-0.35389765662362516,0.26170265335408316
2ZC9_3P17,3.0913260394371433,3.799617407938785,0.11420328968206171,-0.8321377331420382,0.12325704417847796,1.4729794356767087,0.220937081191684
2ZDA_3QWC,5.643693399898244,5.2725968436154975,0.28747161766876356,5.004782400765185,0.33217896114418966,6.671449067431845,0.24070493414127472
2XNM_2XNN,3.3998163376326396,1.8627450980392155,0.3730272596843615,1.8627450980392155,0.32759445241511237,-0.12195121951219512,0.26064084170253465
1YZ3_1HNN,3.506445176005736,0.2702056432329018,0.7259173968822678,-0.6001912960306052,0.40986597534320085,-3.8737446197991496,1.3256224871501041
3LHG_4FRI,2.935076217168105,1.7838354854136793,0.12943441992084512,4.528933524629363,0.10613266868088066,3.1970349115255865,0.10845088924388871
2FWY_1UY7,4.083327404872244,4.371114299378288,0.33874119688120097,6.032998565279771,0.17539092129021758,3.675274988043999,0.23291813796051497
1H1S_1H1Q,3.0277882890961907,1.8101386896221903,0.21520803443328548,1.9799139167862263,0.12434241989478717,1.33428981348637,0.18651362984218076
3FH5_3FUL,4.577877595221389,5.0215208034433285,0.33423815409310037,6.231468197034911,0.2668948137788134,8.328550932568149,0.3754260752775605
3U9W_3FUM,6.585423015572652,7.666188426590148,1.0090865614538498,8.646580583452891,1.1621233859397417,10.38259206121473,0.9110473457675753
2I6A_1BX4,4.150556541231223,5.229555236728839,0.41278518655265584,2.0612147297943575,0.44815076073628196,3.2448589191774317,0.27725553401503095
2FWY_1UY8,3.5028454349281355,3.043998087039694,0.5308464849354376,1.5494978479196557,0.3849832615973218,1.688187470109995,0.47345767575322806
2FWZ_1UYK,3.453202910191596,0.10282161645145863,0.37063605930176946,1.951219512195122,0.3252032520325203,0.901482544237207,0.28694404591104733
2ZDA_3QX5,5.724454399399565,2.8240076518412245,0.4908954430648764,4.148732663797218,0.17391770966970999,3.988522238163546,0.26638015192029885
1YZ3_3HCC,5.346838041701642,2.479674796747968,0.14223120380643756,1.0473457675753233,0.1676059197405553,1.389287422285988,0.1676059197405553
2FWY_1UYC,3.1454311597426625,-1.5231946437111428,0.45671927307508364,-0.6599713055954087,0.26064084170253465,-1.7144906743185078,0.3084648493543759
2XK9_2W7X,4.238101977335343,2.7355332376853174,0.11680224525891737,1.0856049736967939,0.12344246292817125,2.164036346245811,0.12122230373636131
2YEX_2YER,3.134287635971475,0.6480153036824488,0.06531085740673201,0.1673840267814445,0.06531085740673201,0.2965088474414156,0.06312950158988084
2R3J_2R3I,2.7254675095404135,2.061214729794356,0.10323784383033428,3.625059780009564,0.07561639550856956,2.324246771879483,0.06438504073570665
3RSV_3RTN,2.7527221846358185,2.9961740793878517,0.07788855798614218,-2.1640363462458154,0.0985917174944443,0.3921568627450973,0.14073590597381308
2UZN_2UZO,3.938300551285897,5.148254423720707,0.22488727918797669,5.253467240554758,0.1989156799912522,5.9851745576279285,0.22488727918797669
1XUD_1XUR,3.9791825639290037,1.2505978000956455,0.08234899740661197,1.7097082735533249,0.08234899740661197,1.2482065997130556,0.09105419782238053
4B1D_4FRI,2.929877572755945,3.34050693448111,0.10889811130306741,3.44571975131516,0.09546850682772418,3.77092300334768,0.10889811130306741
3OOT_3OQK,3.1615423110668788,3.3309421329507427,0.26572466415752466,1.6571018651362999,0.2634230388124421,3.1946437111429935,0.2795659939578567
3UOH_4DEA,2.848113547469732,0.2749880439980816,0.36578332235242356,-0.3060736489717909,0.21328649565736732,0.7125777140124318,0.34938538974748934
2VTN_2VTL,2.807231534826627,3.1061692969870824,0.1287700814714133,-0.48541367766618865,0.2580392185226008,1.747967479674797,0.33643773002317656
3LHG_4DJV,2.8072315348266264,2.53945480631277,0.12427342381813757,1.8675274988044002,0.10789587922217578,2.443806791009088,0.10789587922217578
3UOK_4DEA,3.4204617244732187,3.2161645145863056,0.303315073561484,1.2816834050693209,0.2231004052950415,1.1884265901482336,0.26638015192029885
3UO6_4DEA,2.7390948470881153,1.6284074605451941,0.3682526224749453,-1.052128168340515,0.25772880862682523,2.6159732185557143,0.32773405480888407
2YCQ_2W7X,3.570362437497941,1.776661884265903,0.08847441415590626,1.496891439502628,0.1021521251233564,1.7862266857962692,0.09528866018733273
2R3M_2R3I,2.7254675095404135,4.359158297465331,0.1308185496565273,3.371592539454784,0.13994141452319014,3.4672405547584884,0.16297043722036095
3GW5_3Q5H,4.197219964692237,2.297943567670967,0.19315512220711992,0.8632233381157305,0.13332952519799757,1.9296987087517916,0.16254887039079233
2R3J_2C68,3.0797782857806673,3.7302725968436157,0.0945960805588354,2.998565279770445,0.09001210054863085,3.2065997130559545,0.10381775870919371
2UZD_2UZE,3.2978156865439003,5.784313725490195,0.3632421492445383,4.782400765184122,0.19514304890581696,5.29650884744141,0.36796526182059003
2JH0_2JH5,3.0797782857806655,-0.13629842180774923,0.09954403776422116,-1.0569105691056915,0.12628164444295448,-1.10234337637494,0.11056554779241407
1C5X_1C5Y,3.379579711830112,3.292682926829268,0.07655576563166963,3.1396461023433764,0.08352103872105682,3.4528933524629366,0.07655576563166963
2ZC9_3SI3,3.515853087307134,1.9966523194643708,0.11279269646170018,0.5738880918220943,0.12628164444295448,1.9392635102821614,0.11726637814671667
1O2G_1GJ4,2.793604197278924,5.136298421807746,0.09325681492109036,-1.8675274988044002,0.1409389003184254,2.0205643232902903,0.11569555622575747
3FVK_3FVN,2.793604197278925,2.5538020086083213,0.28551573418680964,1.3390722142515545,0.20586554997638337,0.49258727881396513,0.5224211940778458
2ZC9_3SV2,3.474971074664027,2.037302725968437,0.11077221254806761,-0.35868005738880915,0.11309644754075052,0.43519846963175685,0.10845088924388871
1YZ3_1N7I,3.0252689355898603,-0.9851745576279294,0.07718800761152067,0.6934481109516978,0.07718800761152067,0.026303204208512534,0.06805475595771261
1H1S_1OGU,3.543107762402538,3.500717360114774,0.5896963887169879,1.1597321855571483,0.5588046511951347,1.953610712577711,0.4456879359256547
3GGJ_3GEP,3.066150948232965,1.532759445241517,0.4222144892252033,3.364418938307028,0.3714989723444092,2.4246771879483466,0.45238579016300207
1TA2_3SHC,3.815654513356579,3.153993304638928,0.14971282489238188,2.049258727881398,0.17363803289939822,2.410329985652797,0.21172590742399477
2YIR_2W7X,3.461343737116324,1.6068866571018652,0.22393179853549794,1.2266857962697275,0.2620519979492584,1.209947393591583,0.2729008180419256