A0A5K4F7L8_SCHMA Loading...

Erythrocyte membrane protein, putative

AlphaFold DB , UniProt , Accession A0A5K4F7L8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,266 aa.

>A0A5K4F7L8_SCHMA|A0A5K4F7L8
MASQSVLVVAGRIDPESNQEKLSKLLYDGLLAAFGEDLDKLDAQFLNCLAKPVNAIDSKEYGLTSEYILRENVFIRVLFNPTSDQLRFGLQEALSHMIVNNNSVVEYPVTPSTLGKVCMVYNGQLHGFTGDWLLQDSSFSGNNLLLWLNSEEAMSWWPHLKKFSNFGDQIKLHIITPIAGTGTCWPVDKSGRPHTVLTQINTRMAKIDILVEASWRLNGKPLNTHGNLSGFEGLRSFVDHIIHQHPMTAIQSDLNSLTTGTALNTTRPVIYVFPGHGVASQSCALFAIQGFTALLGGSYTSQTIPNWWSMVKHLPKLDVSLLPDWCPSSILTYRFMTELLKSEQDSIGILGEILVPPGNNSSTEGLSDISTGLILTPPSLISGPHEGTWASSSNTTNDTIPSSVVLYSKLGWGELKLQPLSHRSGLLLIWESVVHDFTSHQPLCIVMPSVQPTNTNPVQNLARFIKGLCQIPQLSGPTSNRTIKSAVKPGAKQLVRGQPARPSKPISHATGQKETITSKTTNSTMNAKPSPMRPISSTPNHNQRAAPTTPSKTPSLSVNQLKKSVSENTTNSKLMNNSHGVDSHQKRPLSSVDTKKSFNASKPLVTTTKPVNGELKTTTRPLSGPKTTPLGKPKTTTTTAERLTAHSNLVNQHGSKAPSRKSEPTTHLANKLQTKKASSLNVVSNRVPSAKPIKEESETIGKTTELVNSSLPPVTLQNISLNNELTSVDPMLNSLMKSSIHENSGNHLDNLSPTNQFVITDNQRIISTGTSLQKEEEEPQEVVKQPQHEVEEKEEEYKVHKVLKENQMLAEESDEQLAIDLECELKPSTPLSCDDSLAEGEELEEEEEQEEQEHEVLGKEMNSFDISQYEQNQVTKEGIVSSLGFPDMQSYKTPFDTPFDVDMTESPAVFETDINKSVGNSVVIEQHEPQYLEQKVEDELNRNVDIEDNETYVNYLQEESLPFTADKQSLVESSHDAKYLTETQETGQNDDIFESGFNVNNVLKEQQVVELNEENYQDEGEQQQLDEEFNLDTRDLSYEKEDIIDHRYDNSLSILENGLSPLTNKTLKSGEQMSPCSDNVVVTTPGEMDNSFDKIQSQQPIEEGGYYEQIKQYPDENEMIQMEGREKLINYSMDHSQDELSPFHAETDVVANVTTDLMPDFTESRSSNLTEQPDFKEEEESGNLDECEIHYQPRSIEETSNENIQDVQCIHREQITEHFNDIINQLQDQLSPSVFEKEVVEEPHELLQSSNNFNTEQKVIGEAEENEIEPKIIDSNKIEEVNIIGSSDFLTEVIPLSDDKNNLHFNQPYSYVPENHSLQNDDDDNDNDYDELTKSSRTDVVKAVDNEPVYNQTHINLITDEQTYLTHGTKDEKEEQVTNLDNIQYRDDVIDHSFQPYNIQTHAHLDEENEEENLEKSSPELLTKYEENYLSKSIKNCYEQKHEQCLPDQETHIEMNYLQLDQHKPIEETNSDIDEMEKEFVIPYQQKQINTEYDESFLSHTNIDDNNMNDGITTDDYNRTMNSHEIYSQQNIESGVENVSLEHDITNAQDDEMIPDYSLLSMATNYPSDPTKYQVDSSTDQIINTNQTLEGFSYNNHHLSNETDFAIQRKVEASETDEESYQKVDSTTYEESHFISHDIHNDVDSRVDINSDSYQEPDNSLHVDIETNVEGHHQQQFISPDSEISENSTIQMQQHHDEHVQECEHQQDEQHSEADLLISSPNRSVSPNYNIVSSTQQHSNEEEEDKDYVGDDIVVYHNDAVIMNKESEIDLHQDQHYQQFDVDEKLLNNSTLNRFSNYSNSVHQQHHVYSEIPTDDSAETMMPRMTMMMSTNVDVNNNNNNNNNNEITNDTTTTTNGNSHVNLEQQYFNGNTIYQTNDNLNDIDHSMHITPTTNHHLQDSDSAYTNGYNVVPNGNHFSNLKASDINEDENQDESHQNQWNKSNTRYLSETDIDDINFSNFCSKNLESEYMKAAHMTHSCHGEENEEHSYMIMTTTPPPSATSTTTATPSKDMENFGKFFVDKDQFLHDINQNTSPHCSPTEETFDPLKTWGHPLGLPAPVPPITNHSKCKFMIMFIFFILFCYKYQHFAYNQYMLHQQTNLTKRVRSADTSGKTLTTDDSTLPPGPPVYLDVIWVPSYLVRVPQSLMVEFFIRVRAKLYILSGEALHPNIAEALITAKTKWNPDDVPYLCRCDANSPDASITILPTDEPKEWIRWLETPCGRLDEQKGSDRLKANHFRLLPAANLCSTQFNAGDTIFECEGLRVEL
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.9Very low79.3Confident128 Ų12817.5 Ų17.563%0.63110%0.1SC*.  0173.20-80.3166146.800107.8
2A57.9Low78.7Confident45 Ų4519.6 Ų19.637%0.37211%0.105SC..  trans-71.2142.8164.800000109Q4 L114A2-Q4 PolarHBondContact O-N 2.66Å; A2-L114 WeakPolarHBondContact CB-O 3.47Å
3S68.7Low78Confident0 Ų018.8 Ų18.80%010%0.1CC..  trans-67.6122170.5-63.60000109.5N101 K116S3-N101 WeakPolarHBondContact CB-OD1 3.44Å; S3-N101 PolarHBondContact OG-OD1 2.75Å; S3-K116 PolarHBondContact O-N 3.12Å
4Q80.9Confident76.8Confident17 Ų1720.4 Ų20.48%0.07911%0.109CC..EExtended strand (participates in β ladder)trans-114.7130.5175.5-177.8168.1-14.800110.3A2 V6 A33 N72 V73 F74 K116A2-Q4 PolarHBondContact O-N 2.66Å; Q4-V6 HydrophobicContact CG-CG2 4.23Å; Q4-A33 PolarHBondContact NE2-O 2.73Å; Q4-N72 PolarHBondContact N-O 3.15Å; Q4-V73 WeakPolarHBondContact O-CA 3.36Å; Q4-F74 PolarHBondContact O-N 3.47Å; Q4-K116 VanDerWaalsContact CA-O 3.29Å; Q4-K116 WeakPolarHBondContact CA-O 3.46Å
5S87.3Confident75.5Confident0 Ų025 Ų250%014%0.14CC..EExtended strand (participates in β ladder)trans-119.4135.8170.6-160.60000108.8A93 K116 V117 C118S5-A93 WeakPolarHBondContact CB-O 3.2Å; S5-A93 WeakPolarHBondContact OG-CA 3.31Å; S5-A93 WeakPolarHBondContact OG-CB 3.33Å; S5-K116 PolarHBondContact N-O 3.3Å; S5-V117 CarbonylContact O-C 3.45Å; S5-V117 WeakPolarHBondContact O-CA 3.48Å; S5-C118 PolarHBondContact O-N 3.36Å
6V90.6Very high74Confident0 Ų034.8 Ų34.80%019%0.185CC..EExtended strand (participates in β ladder)trans-119.6126.4176.2-174.30000109Q4 V8 L30 F34 F74 I75 R76 C118 V120Q4-V6 HydrophobicContact CG-CG2 4.23Å; V6-V8 HydrophobicContact CG1-CG2 4.42Å; V6-L30 HydrophobicContact CG1-CD2 4.22Å; V6-F34 HydrophobicContact CB-CZ 4.42Å; V6-F34 HydrophobicContact CG2-CE1 3.9Å; V6-F34 HydrophobicContact CG2-CE2 4.24Å; V6-F34 HydrophobicContact CG2-CZ 3.52Å; V6-F74 PolarHBondContact N-O 2.79Å; V6-I75 HydrophobicContact CB-CG1 4.21Å; V6-I75 HydrophobicContact CB-CG2 4.3Å; V6-I75 HydrophobicContact CG1-CG2 4.45Å; V6-I75 CarbonylContact O-C 3.5Å; V6-I75 VanDerWaalsContact O-CA 3.29Å; V6-I75 WeakPolarHBondContact O-CA 3.25Å; V6-R76 PolarHBondContact O-N 3.33Å; V6-C118 CarbonylContact C-O 3.56Å; V6-C118 WeakPolarHBondContact CA-O 3.32Å; V6-C118 HydrophobicContact CB-CB 4.43Å; V6-C118 HydrophobicContact CG1-CB 4.17Å; V6-C118 HydrophobicContact CG2-CB 4.06Å; V6-V120 HydrophobicContact CG1-CG2 4.36Å
7L93.6Very high73.2Confident1 Ų134.8 Ų34.81%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-112.5106.1176.7-174.764.9000108.6V9 R76 L78 L86 L90 C118 M119 V120L7-V9 HydrophobicContact CD2-CG2 4.34Å; L7-V9 HydrophobicContact CG-CG2 4.07Å; L7-R76 WeakPolarHBondContact CA-O 3.17Å; L7-R76 HydrophobicContact CD1-CB 3.97Å; L7-R76 HydrophobicContact CD1-CG 4.09Å; L7-L78 HydrophobicContact CD1-CD1 3.95Å; L7-L78 HydrophobicContact CD1-CG 3.97Å; L7-L86 HydrophobicContact CD2-CD1 4.18Å; L7-L90 HydrophobicContact CD2-CB 4.3Å; L7-C118 PolarHBondContact N-O 3.39Å; L7-M119 HydrophobicContact CB-CG 4.45Å; L7-M119 HydrophobicContact CD2-CE 4.27Å; L7-M119 CarbonylContact O-C 3.53Å; L7-M119 WeakPolarHBondContact O-CA 3.37Å; L7-V120 PolarHBondContact O-N 3.41Å
8V92.7Very high72.6Confident0 Ų036.8 Ų36.80%020%0.199CC..EExtended strand (participates in β ladder)trans-86.3119.7172.8-179.40000108V6 L26 L30 I75 R76 V77 L78 V120V6-V8 HydrophobicContact CG1-CG2 4.42Å; V8-L26 HydrophobicContact CG1-CD1 3.65Å; V8-L26 HydrophobicContact CG2-CD1 4.43Å; V8-L30 HydrophobicContact CG2-CD2 4.09Å; V8-I75 HydrophobicContact CG2-CG2 4.07Å; V8-R76 PolarHBondContact N-O 3.01Å; V8-V77 HydrophobicContact CB-CB 4.43Å; V8-V77 HydrophobicContact CB-CG1 4.27Å; V8-V77 HydrophobicContact CB-CG2 4.16Å; V8-V77 HydrophobicContact CG1-CG1 4.21Å; V8-V77 CarbonylContact O-C 3.54Å; V8-V77 WeakPolarHBondContact O-CA 3.44Å; V8-L78 PolarHBondContact O-N 3.32Å; V8-V120 CarbonylContact C-O 3.56Å; V8-V120 WeakPolarHBondContact CA-O 3.22Å
9V91.5Very high72.6Confident0 Ų039.6 Ų39.60%021%0.211CC..EExtended strand (participates in β ladder)trans-109.595.9-179.3-176.20000107.3L7 G11 P81 L86 V120 Y121 N122 W132 L134L7-V9 HydrophobicContact CD2-CG2 4.34Å; L7-V9 HydrophobicContact CG-CG2 4.07Å; V9-G11 PolarHBondContact O-N 2.67Å; V9-P81 HydrophobicContact CG1-CG 4.13Å; V9-L86 HydrophobicContact CB-CD1 4.42Å; V9-L86 HydrophobicContact CG1-CD1 4.03Å; V9-L86 HydrophobicContact CG2-CD1 3.47Å; V9-L86 VanDerWaalsContact CG2-CD1 3.47Å; V9-V120 PolarHBondContact N-O 3.4Å; V9-Y121 HydrophobicContact CB-CD2 4Å; V9-Y121 HydrophobicContact CG1-CD2 3.84Å; V9-Y121 HydrophobicContact CG1-CE2 4.16Å; V9-Y121 WeakPolarHBondContact O-CA 3.41Å; V9-Y121 VanDerWaalsContact O-CD2 3.24Å; V9-Y121 WeakPolarHBondContact O-CD2 3.46Å; V9-N122 PolarHBondContact O-N 3.02Å; V9-W132 HydrophobicContact CB-CZ3 4.39Å; V9-W132 HydrophobicContact CG1-CE3 4.38Å; V9-W132 HydrophobicContact CG1-CZ3 4.48Å; V9-W132 HydrophobicContact CG2-CZ3 4.25Å; V9-L134 HydrophobicContact CG1-CD2 4.24Å
10A87Confident72.6Confident1 Ų143.8 Ų43.81%0.00823%0.229CC..EExtended strand (participates in β ladder)trans-93.683.9-179.400000109.3L78 F79 N80 N122 H245A10-L78 PolarHBondContact N-O 3.17Å; A10-F79 HydrophobicContact CB-CD1 4.37Å; A10-N80 PolarHBondContact O-N 3.08Å; A10-N122 CarbonylContact C-O 3.33Å; A10-N122 WeakPolarHBondContact CA-O 3.38Å; A10-H245 VanDerWaalsContact CB-CD2 3.5Å; A10-H245 WeakPolarHBondContact CB-CD2 3.02Å; A10-H245 PolarHBondContact O-NE2 3.3Å
11G80.7Confident72.6Confident0 Ų048.8 Ų48.80%025%0.249CC..  trans-68-152.2-167.600000115.4V9 I13 N122 H245V9-G11 PolarHBondContact O-N 2.67Å; G11-I13 PolarHBondContact O-N 2.49Å; G11-N122 PolarHBondContact N-O 2.74Å; G11-H245 PolarHBondContact O-NE2 3.14Å
12R71.6Confident74.1Confident43 Ų4343.6 Ų43.616%0.16222%0.223CC..  trans-63.5134.9170.3-73.6-169.9-175.2-168.34.4109.9N80 G123 Q124 L133 L134 Q135 T258R12-N80 WeakPolarHBondContact CG-OD1 3.31Å; R12-G123 WeakPolarHBondContact O-CA 3.33Å; R12-Q124 PolarHBondContact O-N 3.16Å; R12-L133 HydrophobicContact CB-CB 4.4Å; R12-L133 PolarHBondContact N-O 3.16Å; R12-L134 WeakPolarHBondContact CD-O 3.36Å; R12-L134 WeakPolarHBondContact CG-O 3.47Å; R12-L134 PolarHBondContact NE-O 2.77Å; R12-Q135 PolarHBondContact NH2-O 3.2Å; R12-T258 PolarHBondContact NH1-OG1 3.02Å; R12-T258 PolarHBondContact NH2-OG1 3.36Å
13I69.4Low75.2Confident9 Ų942.8 Ų42.85%0.04622%0.215CC..  trans-127.7139.7179.5-62.4-169.6000107.7G11 S17 L22 H245 M247G11-I13 PolarHBondContact O-N 2.49Å; I13-S17 WeakPolarHBondContact CG2-OG 3.28Å; I13-L22 HydrophobicContact CD1-CD1 4.15Å; I13-L22 HydrophobicContact CD1-CD2 4.23Å; I13-L22 HydrophobicContact CG2-CD1 3.63Å; I13-H245 WeakPolarHBondContact CD1-NE2 3.27Å; I13-M247 HydrophobicContact CB-SD 4.31Å; I13-M247 HydrophobicContact CG2-CE 3.65Å; I13-M247 HydrophobicContact CG2-SD 3.65Å
14D61.2Low75.8Confident41 Ų4149.1 Ų49.122%0.21924%0.242CC..  trans-80.9137.9-179.8-144.7-65.9000110.4E16 S17 Q124D14-E16 PolarHBondContact O-N 3.41Å; D14-E16 PolarHBondContact OD1-N 2.64Å; D14-E16 VanDerWaalsContact OD1-N 3.11Å; D14-S17 PolarHBondContact N-OG 3.18Å; D14-S17 WeakPolarHBondContact O-CB 3.35Å; D14-S17 PolarHBondContact O-N 3.49Å; D14-S17 PolarHBondContact O-OG 2.85Å; D14-Q124 PolarHBondContact OD2-NE2 2.84Å
15P57Low75.6Confident90 Ų9049.4 Ų49.458%0.58425%0.245SC*.THydrogen-bonded Turntrans-55.5-25.6165.323.2-34.6000113.3
16E52.4Low75.5Confident181 Ų18149.4 Ų49.485%0.84625%0.245SC*.THydrogen-bonded Turntrans-84.4-1.7173.8-63.6-169.2177.200114.5D14D14-E16 PolarHBondContact O-N 3.41Å; D14-E16 PolarHBondContact OD1-N 2.64Å; D14-E16 VanDerWaalsContact OD1-N 3.11Å
17S60.6Low75.4Confident35 Ų3550.8 Ų50.825%0.24525%0.25CC..SBendtrans-82.6125.4-172.4660000112.9I13 D14 Q19I13-S17 WeakPolarHBondContact CG2-OG 3.28Å; D14-S17 PolarHBondContact N-OG 3.18Å; D14-S17 WeakPolarHBondContact O-CB 3.35Å; D14-S17 PolarHBondContact O-N 3.49Å; D14-S17 PolarHBondContact O-OG 2.85Å; S17-Q19 PolarHBondContact O-N 3.43Å; S17-Q19 VanDerWaalsContact O-N 3.11Å
18N62.7Low74.9Confident71 Ų7151.9 Ų51.938%0.3826%0.256SS..  trans-62.4115.5179178.31.7000111E20 K21 L22N18-E20 PolarHBondContact ND2-OE2 2.94Å; N18-E20 PolarHBondContact O-N 2.97Å; N18-E20 VanDerWaalsContact O-N 3.17Å; N18-E20 WeakPolarHBondContact OD1-CB 3.48Å; N18-E20 PolarHBondContact OD1-N 2.83Å; N18-K21 HydrophobicContact CB-CD 4.18Å; N18-K21 HydrophobicContact CB-CG 4.2Å; N18-K21 WeakPolarHBondContact O-CB 3.28Å; N18-K21 PolarHBondContact O-N 3.32Å; N18-L22 PolarHBondContact O-N 2.69Å
19Q71Confident74.5Confident91 Ų9151.9 Ų51.943%0.42526%0.256SS..Hα-helixtrans-48.7-36.5175.3-170.1177.3-16.800113.3S17 K21 L22 S23 I242S17-Q19 PolarHBondContact O-N 3.43Å; S17-Q19 VanDerWaalsContact O-N 3.11Å; Q19-K21 VanDerWaalsContact C-N 3.35Å; Q19-K21 PolarHBondContact O-N 2.67Å; Q19-L22 WeakPolarHBondContact O-CB 2.91Å; Q19-L22 PolarHBondContact O-N 2.97Å; Q19-S23 PolarHBondContact O-N 2.92Å; Q19-I242 HydrophobicContact CG-CG2 3.5Å
20E74.4Confident74.3Confident123 Ų12351.9 Ų51.958%0.57526%0.256SS*.Hα-helixtrans-62.5-36.1176.3-171.5-149.8163.600113N18 L22 S23 K24N18-E20 PolarHBondContact ND2-OE2 2.94Å; N18-E20 PolarHBondContact O-N 2.97Å; N18-E20 VanDerWaalsContact O-N 3.17Å; N18-E20 WeakPolarHBondContact OD1-CB 3.48Å; N18-E20 PolarHBondContact OD1-N 2.83Å; E20-L22 VanDerWaalsContact C-N 3.31Å; E20-S23 WeakPolarHBondContact CA-OG 3.37Å; E20-S23 PolarHBondContact O-OG 2.66Å; E20-S23 VanDerWaalsContact O-OG 3.06Å; E20-K24 VanDerWaalsContact O-CB 3.26Å; E20-K24 WeakPolarHBondContact O-CB 3.13Å; E20-K24 PolarHBondContact O-N 3.34Å
21K70.6Confident74.3Confident149 Ų14952.9 Ų52.965%0.64826%0.261SS*.Hα-helixtrans-71.2-33.4177.6-65177.9-176.8168.90110.8N18 Q19 L25N18-K21 HydrophobicContact CB-CD 4.18Å; N18-K21 HydrophobicContact CB-CG 4.2Å; N18-K21 WeakPolarHBondContact O-CB 3.28Å; N18-K21 PolarHBondContact O-N 3.32Å; Q19-K21 VanDerWaalsContact C-N 3.35Å; Q19-K21 PolarHBondContact O-N 2.67Å; K21-L25 WeakPolarHBondContact O-CB 3.47Å; K21-L25 PolarHBondContact O-N 3.23Å
22L73.9Confident74.3Confident18 Ų1853.1 Ų53.19%0.09426%0.263CS..Hα-helixtrans-76.1-37.8176.8-61.9160.9000111.3I13 N18 Q19 E20 L25 L26 N122I13-L22 HydrophobicContact CD1-CD1 4.15Å; I13-L22 HydrophobicContact CD1-CD2 4.23Å; I13-L22 HydrophobicContact CG2-CD1 3.63Å; N18-L22 PolarHBondContact O-N 2.69Å; Q19-L22 WeakPolarHBondContact O-CB 2.91Å; Q19-L22 PolarHBondContact O-N 2.97Å; E20-L22 VanDerWaalsContact C-N 3.31Å; L22-L25 PolarHBondContact O-N 3.42Å; L22-L26 WeakPolarHBondContact O-CB 3.16Å; L22-L26 PolarHBondContact O-N 3.47Å; L22-N122 WeakPolarHBondContact CA-OD1 3.33Å; L22-N122 VanDerWaalsContact CD2-OD1 3.24Å; L22-N122 WeakPolarHBondContact CD2-OD1 3.42Å; L22-N122 PolarHBondContact O-ND2 2.68Å; L22-N122 PolarHBondContact O-OD1 2.81Å
23S82.2Confident74.9Confident28 Ų2851.1 Ų51.120%0.19626%0.255CS..Hα-helixtrans-67.2-46.2174.170.30000111.8Q19 E20 L25 L26 Y27 V238 I242Q19-S23 PolarHBondContact O-N 2.92Å; E20-S23 WeakPolarHBondContact CA-OG 3.37Å; E20-S23 PolarHBondContact O-OG 2.66Å; E20-S23 VanDerWaalsContact O-OG 3.06Å; S23-L25 PolarHBondContact O-N 2.85Å; S23-L26 PolarHBondContact O-N 3.35Å; S23-Y27 VanDerWaalsContact O-CB 3.24Å; S23-Y27 WeakPolarHBondContact O-CB 3.02Å; S23-Y27 PolarHBondContact O-N 2.92Å; S23-V238 WeakPolarHBondContact O-CG1 3.05Å; S23-I242 VanDerWaalsContact CB-CD1 3.43Å
24K80.5Confident75.6Confident133 Ų13351 Ų5158%0.57826%0.255SS*.Hα-helixtrans-58.8-45.6173.1-174.1168-1741660112.3E20 L26 Y27 D28E20-K24 VanDerWaalsContact O-CB 3.26Å; E20-K24 WeakPolarHBondContact O-CB 3.13Å; E20-K24 PolarHBondContact O-N 3.34Å; K24-L26 PolarHBondContact O-N 3.09Å; K24-Y27 PolarHBondContact O-N 3.05Å; K24-D28 WeakPolarHBondContact O-CB 2.97Å; K24-D28 PolarHBondContact O-N 2.97Å
25L76.7Confident76.5Confident24 Ų2451 Ų5113%0.12626%0.264CS..Hα-helixtrans-59.7-45.4176.9171.360.1000112.4K21 L22 S23 G29 N122 P177 S214K21-L25 WeakPolarHBondContact O-CB 3.47Å; K21-L25 PolarHBondContact O-N 3.23Å; L22-L25 PolarHBondContact O-N 3.42Å; S23-L25 PolarHBondContact O-N 2.85Å; L25-G29 PolarHBondContact O-N 2.8Å; L25-N122 WeakPolarHBondContact CD2-OD1 3.34Å; L25-P177 HydrophobicContact CD1-CB 3.97Å; L25-P177 HydrophobicContact CD1-CG 3.73Å; L25-P177 HydrophobicContact CD2-CB 4.49Å; L25-P177 HydrophobicContact CD2-CG 3.73Å; L25-P177 HydrophobicContact CG-CG 4.38Å; L25-S214 WeakPolarHBondContact CD1-OG 3.23Å
26L86.3Confident77.3Confident0 Ų055 Ų550%028%0.276CS..Hα-helixtrans-69.7-38.9178.4-176.160.3000112V8 L22 S23 K24 G29 L30 V120 N122 V238 I241 I242V8-L26 HydrophobicContact CG1-CD1 3.65Å; V8-L26 HydrophobicContact CG2-CD1 4.43Å; L22-L26 WeakPolarHBondContact O-CB 3.16Å; L22-L26 PolarHBondContact O-N 3.47Å; S23-L26 PolarHBondContact O-N 3.35Å; K24-L26 PolarHBondContact O-N 3.09Å; L26-G29 PolarHBondContact O-N 3.23Å; L26-L30 HydrophobicContact CD1-CD1 4.13Å; L26-L30 HydrophobicContact CD1-CG 4.18Å; L26-L30 HydrophobicContact CG-CD1 4.07Å; L26-L30 WeakPolarHBondContact O-CB 3.13Å; L26-L30 VanDerWaalsContact O-CG 3.31Å; L26-L30 WeakPolarHBondContact O-CG 3.21Å; L26-L30 PolarHBondContact O-N 2.94Å; L26-V120 HydrophobicContact CD1-CG1 4.08Å; L26-N122 HydrophobicContact CD1-CB 4.45Å; L26-V238 HydrophobicContact CB-CG1 4.31Å; L26-V238 HydrophobicContact CD2-CG1 4.27Å; L26-V238 HydrophobicContact CD2-CG2 4.44Å; L26-V238 HydrophobicContact CG-CG1 4.45Å; L26-V238 HydrophobicContact CG-CG2 4.18Å; L26-I241 HydrophobicContact CD2-CB 4.03Å; L26-I241 HydrophobicContact CD2-CD1 4.32Å; L26-I241 HydrophobicContact CD2-CG2 3.73Å; L26-I242 HydrophobicContact CD2-CD1 4.28Å; L26-I242 HydrophobicContact CD2-CG1 4.23Å
27Y88.5Confident78.6Confident28 Ų2849.2 Ų49.211%0.1125%0.25CS..Hα-helixtrans-64.4-54.2176.8-177-97.5000111.8S23 K24 G29 L30 L31 L228 L234 R235 V238S23-Y27 VanDerWaalsContact O-CB 3.24Å; S23-Y27 WeakPolarHBondContact O-CB 3.02Å; S23-Y27 PolarHBondContact O-N 2.92Å; K24-Y27 PolarHBondContact O-N 3.05Å; Y27-G29 PolarHBondContact O-N 3.34Å; Y27-L30 PolarHBondContact O-N 3.41Å; Y27-L31 HydrophobicContact CE1-CD1 4.36Å; Y27-L31 VanDerWaalsContact O-CB 3.3Å; Y27-L31 WeakPolarHBondContact O-CB 3.35Å; Y27-L31 PolarHBondContact O-N 3.41Å; Y27-L228 HydrophobicContact CE1-CD2 4.35Å; Y27-L228 PolarHBondContact OH-O 2.84Å; Y27-L234 HydrophobicContact CD2-CD2 3.86Å; Y27-L234 HydrophobicContact CD2-CG 3.84Å; Y27-L234 HydrophobicContact CE2-CB 4.15Å; Y27-L234 HydrophobicContact CE2-CD2 3.66Å; Y27-L234 HydrophobicContact CE2-CG 3.79Å; Y27-R235 HydrophobicContact CD2-CG 4.15Å; Y27-R235 HydrophobicContact CE2-CG 3.6Å; Y27-V238 HydrophobicContact CD2-CG2 4.18Å
28D82.1Confident79.7Confident24 Ų2447.6 Ų47.613%0.12824%0.239CC..Hα-helixtrans-57.2-39.4175.1-71.5-19.9000110.5K24 L31 A32K24-D28 WeakPolarHBondContact O-CB 2.97Å; K24-D28 PolarHBondContact O-N 2.97Å; D28-L31 PolarHBondContact O-N 3.12Å; D28-A32 PolarHBondContact O-N 2.78Å
29G84.1Confident80.4Confident0 Ų050.3 Ų50.30%025%0.253CS..Hα-helixtrans-65.2-45.3177.900000114.5L25 L26 Y27 A33 I175L25-G29 PolarHBondContact O-N 2.8Å; L26-G29 PolarHBondContact O-N 3.23Å; Y27-G29 PolarHBondContact O-N 3.34Å; G29-A33 WeakPolarHBondContact O-CB 3.24Å; G29-A33 PolarHBondContact O-N 2.74Å; G29-I175 VanDerWaalsContact O-CD1 3.31Å; G29-I175 WeakPolarHBondContact O-CD1 3.17Å
30L88.4Confident80.9Confident0 Ų050.4 Ų50.40%025%0.252CS..Hα-helixtrans-71.1-35.3175.6-69.4171.2000111.5V6 V8 L26 Y27 A32 A33 F34 V120 L234 F237 V238V6-L30 HydrophobicContact CG1-CD2 4.22Å; V8-L30 HydrophobicContact CG2-CD2 4.09Å; L26-L30 HydrophobicContact CD1-CD1 4.13Å; L26-L30 HydrophobicContact CD1-CG 4.18Å; L26-L30 HydrophobicContact CG-CD1 4.07Å; L26-L30 WeakPolarHBondContact O-CB 3.13Å; L26-L30 VanDerWaalsContact O-CG 3.31Å; L26-L30 WeakPolarHBondContact O-CG 3.21Å; L26-L30 PolarHBondContact O-N 2.94Å; Y27-L30 PolarHBondContact O-N 3.41Å; L30-A32 PolarHBondContact O-N 3.44Å; L30-A33 WeakPolarHBondContact O-CA 3.32Å; L30-A33 WeakPolarHBondContact O-CB 3.29Å; L30-A33 PolarHBondContact O-N 3.39Å; L30-F34 HydrophobicContact CD2-CE2 4.19Å; L30-F34 VanDerWaalsContact O-CD2 3.25Å; L30-F34 WeakPolarHBondContact O-CD2 3.44Å; L30-F34 PolarHBondContact O-N 3.18Å; L30-V120 HydrophobicContact CD2-CG2 4.42Å; L30-L234 HydrophobicContact CB-CD1 3.75Å; L30-L234 HydrophobicContact CD1-CD1 3.86Å; L30-L234 HydrophobicContact CG-CD1 4.46Å; L30-F237 HydrophobicContact CD1-CD1 3.91Å; L30-F237 HydrophobicContact CD1-CE1 3.95Å; L30-V238 HydrophobicContact CD1-CG2 3.92Å
31L85.7Confident81.4Confident22 Ų2244.8 Ų44.812%0.11523%0.226CC..Hα-helixtrans-60.1-45174.9-165.5114.1000111.4Y27 D28 A33 F34 G35 L38 L222 L228 F231 L234Y27-L31 HydrophobicContact CE1-CD1 4.36Å; Y27-L31 VanDerWaalsContact O-CB 3.3Å; Y27-L31 WeakPolarHBondContact O-CB 3.35Å; Y27-L31 PolarHBondContact O-N 3.41Å; D28-L31 PolarHBondContact O-N 3.12Å; L31-A33 VanDerWaalsContact C-N 3.34Å; L31-F34 PolarHBondContact O-N 3.29Å; L31-G35 WeakPolarHBondContact O-CA 3.2Å; L31-G35 PolarHBondContact O-N 3.13Å; L31-L38 HydrophobicContact CD1-CD2 3.53Å; L31-L38 HydrophobicContact CG-CD2 4.07Å; L31-L222 HydrophobicContact CD2-CD2 3.77Å; L31-L228 HydrophobicContact CD1-CD2 3.31Å; L31-L228 HydrophobicContact CD2-CD2 3.82Å; L31-L228 HydrophobicContact CG-CD2 4.21Å; L31-F231 HydrophobicContact CD1-CD2 3.94Å; L31-F231 HydrophobicContact CD1-CE2 4.15Å; L31-L234 HydrophobicContact CB-CD2 4.41Å; L31-L234 HydrophobicContact CD1-CD2 4.29Å
32A80.7Confident82.2Confident6 Ų638.9 Ų38.95%0.0520%0.202CC..Hα-helixtrans-67.5-30.3171.500000113.2D28 L30 H173 I175 E212D28-A32 PolarHBondContact O-N 2.78Å; L30-A32 PolarHBondContact O-N 3.44Å; A32-H173 VanDerWaalsContact C-NE2 3.28Å; A32-H173 PolarHBondContact O-CE1 3.19Å; A32-H173 PolarHBondContact O-NE2 3.27Å; A32-I175 HydrophobicContact CB-CD1 3.83Å; A32-I175 HydrophobicContact CB-CG1 4.49Å; A32-I175 HydrophobicContact CB-CG2 4.43Å; A32-E212 WeakPolarHBondContact CB-OE1 3.41Å
33A83.8Confident82.6Confident0 Ų040.8 Ų40.80%022%0.22CC..Hα-helixtrans-67-36.1176.500000112.9Q4 G29 L30 L31 K116 C118 V120 I175Q4-A33 PolarHBondContact NE2-O 2.73Å; G29-A33 WeakPolarHBondContact O-CB 3.24Å; G29-A33 PolarHBondContact O-N 2.74Å; L30-A33 WeakPolarHBondContact O-CA 3.32Å; L30-A33 WeakPolarHBondContact O-CB 3.29Å; L30-A33 PolarHBondContact O-N 3.39Å; L31-A33 VanDerWaalsContact C-N 3.34Å; A33-K116 PolarHBondContact O-NZ 2.62Å; A33-C118 HydrophobicContact CB-CB 3.97Å; A33-C118 PolarHBondContact O-SG 3.14Å; A33-V120 HydrophobicContact CB-CG2 4.1Å; A33-I175 HydrophobicContact CB-CD1 3.89Å
34F85.3Confident82.8Confident6 Ų641.1 Ų41.13%0.02622%0.219CC..Hα-helixtrans-103.5-36.5-176.6-66.7-70.2000114.8V6 L30 L31 E36 D37 L38 L41 F45 L69 V73 I75V6-F34 HydrophobicContact CB-CZ 4.42Å; V6-F34 HydrophobicContact CG2-CE1 3.9Å; V6-F34 HydrophobicContact CG2-CE2 4.24Å; V6-F34 HydrophobicContact CG2-CZ 3.52Å; L30-F34 HydrophobicContact CD2-CE2 4.19Å; L30-F34 VanDerWaalsContact O-CD2 3.25Å; L30-F34 WeakPolarHBondContact O-CD2 3.44Å; L30-F34 PolarHBondContact O-N 3.18Å; L31-F34 PolarHBondContact O-N 3.29Å; F34-E36 PolarHBondContact O-N 3.42Å; F34-D37 PolarHBondContact O-N 3.05Å; F34-L38 HydrophobicContact CB-CB 4.25Å; F34-L38 HydrophobicContact CB-CD1 4.38Å; F34-L41 HydrophobicContact CB-CD1 4.33Å; F34-L41 HydrophobicContact CD1-CD1 3.28Å; F34-L41 HydrophobicContact CE1-CD1 3.75Å; F34-L41 HydrophobicContact CG-CD1 3.95Å; F34-F45 HydrophobicContact CD2-CE2 4.48Å; F34-F45 AromaticContact CD2-CZ 3.94Å; F34-F45 HydrophobicContact CD2-CZ 3.94Å; F34-F45 HydrophobicContact CE2-CE1 4.4Å; F34-F45 HydrophobicContact CE2-CE2 4.47Å; F34-F45 AromaticContact CE2-CZ 3.58Å; F34-F45 HydrophobicContact CE2-CZ 3.58Å; F34-F45 HydrophobicContact CZ-CZ 4.11Å; F34-L69 HydrophobicContact CE1-CD1 4.26Å; F34-L69 HydrophobicContact CZ-CD1 4.01Å; F34-V73 HydrophobicContact CE1-CG1 3.84Å; F34-I75 HydrophobicContact CE2-CD1 4.32Å; F34-I75 HydrophobicContact CZ-CD1 3.96Å; F34-I75 HydrophobicContact CZ-CG1 4.33Å
35G79.9Confident83Confident41 Ų4134.8 Ų34.842%0.42319%0.191SC..G310 helixtrans52.7-124.9176.100000113.4L31 D37 L38L31-G35 WeakPolarHBondContact O-CA 3.2Å; L31-G35 PolarHBondContact O-N 3.13Å; G35-D37 PolarHBondContact O-N 3.08Å; G35-L38 VanDerWaalsContact O-CB 3.28Å; G35-L38 WeakPolarHBondContact O-CB 3.28Å; G35-L38 PolarHBondContact O-N 2.85Å
36E73Confident83.3Confident176 Ų17637.5 Ų37.582%0.82221%0.205SC*.G310 helixtrans-60.9-13.3-178.6-62.2177.3-167.100115F34 K40F34-E36 PolarHBondContact O-N 3.42Å; E36-K40 PolarHBondContact O-NZ 3.5Å
37D80.2Confident83.1Confident58 Ų5843 Ų4331%0.3124%0.235SC..G310 helixtrans-90.2-7.6173.3-79.7-44.3000113.7F34 G35 D39 K40 L41F34-D37 PolarHBondContact O-N 3.05Å; G35-D37 PolarHBondContact O-N 3.08Å; D37-D39 PolarHBondContact O-N 3.42Å; D37-K40 WeakPolarHBondContact O-CA 3.34Å; D37-K40 WeakPolarHBondContact O-CB 3.47Å; D37-K40 PolarHBondContact O-N 2.89Å; D37-K40 WeakPolarHBondContact OD1-CD 3.13Å; D37-K40 WeakPolarHBondContact OD1-CE 3.22Å; D37-K40 IonicContact OD1-NZ 2.66Å; D37-K40 PolarHBondContact OD1-NZ 3Å; D37-L41 HydrophobicContact CB-CD1 4.16Å; D37-L41 VanDerWaalsContact O-CG 3.3Å; D37-L41 WeakPolarHBondContact O-CG 3.22Å; D37-L41 PolarHBondContact O-N 3.04Å
38L82.8Confident82.5Confident2 Ų242.6 Ų42.61%0.0124%0.236CC..Hα-helixtrans-62.9-41.7-176.9-172.559.8000113.2L31 F34 G35 K40 L41 D42 F45 F231 L234L31-L38 HydrophobicContact CD1-CD2 3.53Å; L31-L38 HydrophobicContact CG-CD2 4.07Å; F34-L38 HydrophobicContact CB-CB 4.25Å; F34-L38 HydrophobicContact CB-CD1 4.38Å; G35-L38 VanDerWaalsContact O-CB 3.28Å; G35-L38 WeakPolarHBondContact O-CB 3.28Å; G35-L38 PolarHBondContact O-N 2.85Å; L38-K40 PolarHBondContact O-N 2.86Å; L38-L41 PolarHBondContact O-N 3.18Å; L38-D42 PolarHBondContact O-N 3.36Å; L38-F45 HydrophobicContact CD1-CE2 3.9Å; L38-F231 HydrophobicContact CB-CE1 4.24Å; L38-F231 HydrophobicContact CB-CZ 4.44Å; L38-F231 HydrophobicContact CD2-CB 4.35Å; L38-F231 HydrophobicContact CD2-CD1 3.79Å; L38-F231 HydrophobicContact CD2-CD2 3.59Å; L38-F231 HydrophobicContact CD2-CE1 3.91Å; L38-F231 HydrophobicContact CD2-CE2 3.72Å; L38-F231 HydrophobicContact CD2-CG 3.63Å; L38-F231 HydrophobicContact CD2-CZ 3.88Å; L38-F231 HydrophobicContact CG-CD1 3.68Å; L38-F231 HydrophobicContact CG-CD2 4.4Å; L38-F231 HydrophobicContact CG-CE1 3.73Å; L38-F231 HydrophobicContact CG-CE2 4.45Å; L38-F231 HydrophobicContact CG-CG 4.03Å; L38-F231 HydrophobicContact CG-CZ 4.12Å; L38-L234 HydrophobicContact CD1-CB 4.4Å; L38-L234 HydrophobicContact CD1-CD2 4.05Å; L38-L234 HydrophobicContact CD2-CD2 3.8Å
39D78.8Confident82.1Confident128 Ų12843.3 Ų43.368%0.68424%0.239SC*.Hα-helixtrans-52-27.2171.5-62.3-14.9000113.1D37 F231D37-D39 PolarHBondContact O-N 3.42Å; D39-F231 VanDerWaalsContact OD1-CE1 3.31Å; D39-F231 WeakPolarHBondContact OD1-CE1 3.05Å; D39-F231 WeakPolarHBondContact OD1-CZ 3.19Å
40K81.7Confident81.3Confident93 Ų9347.1 Ų47.140%0.40427%0.271SS..Hα-helixtrans-95.4-11.5-177.8-41.1-173.7-166.8780112.2E36 D37 L38 Q44 R70E36-K40 PolarHBondContact O-NZ 3.5Å; D37-K40 WeakPolarHBondContact O-CA 3.34Å; D37-K40 WeakPolarHBondContact O-CB 3.47Å; D37-K40 PolarHBondContact O-N 2.89Å; D37-K40 WeakPolarHBondContact OD1-CD 3.13Å; D37-K40 WeakPolarHBondContact OD1-CE 3.22Å; D37-K40 IonicContact OD1-NZ 2.66Å; D37-K40 PolarHBondContact OD1-NZ 3Å; L38-K40 PolarHBondContact O-N 2.86Å; K40-Q44 PolarHBondContact O-NE2 3.39Å; K40-R70 PolarHBondContact O-NH2 2.9Å
41L84.5Confident80.1Confident5 Ų555.2 Ų55.23%0.02631%0.306CS..Hα-helixtrans-115.9-22.3-171.6-67175.6000113.7F34 D37 L38 A43 Q44 F45 L69 R70F34-L41 HydrophobicContact CB-CD1 4.33Å; F34-L41 HydrophobicContact CD1-CD1 3.28Å; F34-L41 HydrophobicContact CE1-CD1 3.75Å; F34-L41 HydrophobicContact CG-CD1 3.95Å; D37-L41 HydrophobicContact CB-CD1 4.16Å; D37-L41 VanDerWaalsContact O-CG 3.3Å; D37-L41 WeakPolarHBondContact O-CG 3.22Å; D37-L41 PolarHBondContact O-N 3.04Å; L38-L41 PolarHBondContact O-N 3.18Å; L41-A43 VanDerWaalsContact C-N 3.34Å; L41-A43 PolarHBondContact O-N 3.27Å; L41-Q44 WeakPolarHBondContact O-CA 3.34Å; L41-Q44 WeakPolarHBondContact O-CB 3.2Å; L41-Q44 PolarHBondContact O-N 3.07Å; L41-F45 HydrophobicContact CB-CE2 4.14Å; L41-F45 WeakPolarHBondContact O-CD2 3.08Å; L41-F45 PolarHBondContact O-N 2.99Å; L41-L69 HydrophobicContact CD2-CB 4.49Å; L41-R70 HydrophobicContact CD2-CG 4.39Å
42D87Confident78.7Confident24 Ų2458.1 Ų58.113%0.12833%0.326CS..Hα-helixtrans-51.1-49.3-176.8-165.269.7000113.1L38 Q44 F45 L46 F231 E232 G233 L234L38-D42 PolarHBondContact O-N 3.36Å; D42-Q44 PolarHBondContact O-N 3.03Å; D42-Q44 VanDerWaalsContact O-N 3.16Å; D42-F45 WeakPolarHBondContact O-CB 3.4Å; D42-F45 PolarHBondContact O-N 2.95Å; D42-L46 PolarHBondContact O-N 3.11Å; D42-F231 HydrophobicContact CB-CD1 4.23Å; D42-F231 VanDerWaalsContact OD1-C 3.23Å; D42-F231 VanDerWaalsContact OD1-CA 3.28Å; D42-F231 WeakPolarHBondContact OD1-CA 3.39Å; D42-F231 WeakPolarHBondContact OD1-CB 3.39Å; D42-E232 PolarHBondContact OD2-N 3.02Å; D42-G233 WeakPolarHBondContact OD1-CA 3.39Å; D42-G233 PolarHBondContact OD1-N 3.44Å; D42-G233 VanDerWaalsContact OD1-N 3.11Å; D42-G233 PolarHBondContact OD2-N 2.84Å; D42-L234 PolarHBondContact OD1-N 3.45Å
43A83.3Confident78Confident59 Ų5960 Ų6049%0.48834%0.337SS..Hα-helixtrans-63.1-21.3175.700000114.5L41 N47L41-A43 VanDerWaalsContact C-N 3.34Å; L41-A43 PolarHBondContact O-N 3.27Å; A43-N47 VanDerWaalsContact O-CG 3.23Å; A43-N47 PolarHBondContact O-N 3.18Å; A43-N47 PolarHBondContact O-ND2 2.78Å; A43-N47 VanDerWaalsContact O-ND2 3.12Å
44Q84.8Confident77.1Confident35 Ų3566 Ų6616%0.16437%0.369CS..Hα-helixtrans-81.7-26.6171.7-71.6113.288.600113.1K40 L41 D42 N47 C48 L69 R70K40-Q44 PolarHBondContact O-NE2 3.39Å; L41-Q44 WeakPolarHBondContact O-CA 3.34Å; L41-Q44 WeakPolarHBondContact O-CB 3.2Å; L41-Q44 PolarHBondContact O-N 3.07Å; D42-Q44 PolarHBondContact O-N 3.03Å; D42-Q44 VanDerWaalsContact O-N 3.16Å; Q44-N47 PolarHBondContact O-N 2.85Å; Q44-C48 PolarHBondContact O-N 3.32Å; Q44-C48 PolarHBondContact O-SG 3.05Å; Q44-L69 HydrophobicContact CB-CB 4.33Å; Q44-L69 HydrophobicContact CB-CD2 3.63Å; Q44-R70 VanDerWaalsContact OE1-NH2 3.14Å
45F86.6Confident76.5Confident0 Ų067.2 Ų67.20%038%0.38CS..Hα-helixtrans-62.5-46.4170.6-73.1-77.7000110.3F34 L38 L41 D42 N47 C48 L49 L69 I75 G233 L234 F237F34-F45 HydrophobicContact CD2-CE2 4.48Å; F34-F45 AromaticContact CD2-CZ 3.94Å; F34-F45 HydrophobicContact CD2-CZ 3.94Å; F34-F45 HydrophobicContact CE2-CE1 4.4Å; F34-F45 HydrophobicContact CE2-CE2 4.47Å; F34-F45 AromaticContact CE2-CZ 3.58Å; F34-F45 HydrophobicContact CE2-CZ 3.58Å; F34-F45 HydrophobicContact CZ-CZ 4.11Å; L38-F45 HydrophobicContact CD1-CE2 3.9Å; L41-F45 HydrophobicContact CB-CE2 4.14Å; L41-F45 WeakPolarHBondContact O-CD2 3.08Å; L41-F45 PolarHBondContact O-N 2.99Å; D42-F45 WeakPolarHBondContact O-CB 3.4Å; D42-F45 PolarHBondContact O-N 2.95Å; F45-N47 VanDerWaalsContact C-N 3.33Å; F45-N47 PolarHBondContact O-N 2.88Å; F45-C48 PolarHBondContact O-N 2.91Å; F45-C48 VanDerWaalsContact O-N 3.17Å; F45-L49 WeakPolarHBondContact O-CG 3.29Å; F45-L49 PolarHBondContact O-N 3Å; F45-L69 HydrophobicContact CD1-CD1 4.5Å; F45-L69 HydrophobicContact CD1-CD2 3.97Å; F45-L69 HydrophobicContact CD2-CD2 4.35Å; F45-L69 HydrophobicContact CE1-CD1 3.96Å; F45-L69 HydrophobicContact CE1-CD2 4.25Å; F45-L69 HydrophobicContact CE2-CD1 4.14Å; F45-L69 HydrophobicContact CG-CD2 4.05Å; F45-L69 HydrophobicContact CZ-CD1 3.78Å; F45-I75 HydrophobicContact CE1-CD1 3.68Å; F45-I75 HydrophobicContact CZ-CD1 4.26Å; F45-G233 VanDerWaalsContact CB-C 3.48Å; F45-G233 VanDerWaalsContact CB-O 3.29Å; F45-G233 WeakPolarHBondContact CB-O 3.18Å; F45-L234 HydrophobicContact CE1-CD1 4.15Å; F45-L234 HydrophobicContact CE2-CD1 4.1Å; F45-L234 HydrophobicContact CZ-CD1 3.87Å; F45-F237 HydrophobicContact CB-CB 4.11Å; F45-F237 HydrophobicContact CD1-CB 3.69Å; F45-F237 AromaticContact CD1-CD1 3.51Å; F45-F237 HydrophobicContact CD1-CD1 3.51Å; F45-F237 AromaticContact CD1-CD2 3.89Å; F45-F237 HydrophobicContact CD1-CD2 3.89Å; F45-F237 HydrophobicContact CD1-CE1 4.02Å; F45-F237 HydrophobicContact CD1-CE2 4.36Å; F45-F237 AromaticContact CD1-CG 3.42Å; F45-F237 HydrophobicContact CD1-CG 3.42Å; F45-F237 VanDerWaalsContact CD1-CG 3.42Å; F45-F237 HydrophobicContact CD1-CZ 4.41Å; F45-F237 AromaticContact CE1-CD1 3.52Å; F45-F237 HydrophobicContact CE1-CD1 3.52Å; F45-F237 AromaticContact CE1-CE1 3.69Å; F45-F237 HydrophobicContact CE1-CE1 3.69Å; F45-F237 AromaticContact CE1-CG 3.95Å; F45-F237 HydrophobicContact CE1-CG 3.95Å; F45-F237 HydrophobicContact CE1-CZ 4.27Å; F45-F237 HydrophobicContact CG-CB 4.26Å; F45-F237 HydrophobicContact CG-CG 4.43Å
46L82.6Confident76.4Confident80 Ų8070 Ų7042%0.41938%0.384SS..Hα-helixtrans-54.4-46.6170.6-66.4175.8000112.3D42 C48 L49 A50D42-L46 PolarHBondContact O-N 3.11Å; L46-C48 VanDerWaalsContact C-N 3.32Å; L46-C48 PolarHBondContact O-N 2.8Å; L46-L49 PolarHBondContact O-N 3.24Å; L46-A50 PolarHBondContact O-N 3.18Å
47N81.3Confident76.7Confident117 Ų11768 Ų6863%0.62638%0.379SS*.Hα-helixtrans-67.3-27.9-179.9-70-26.9000113.8A43 Q44 F45A43-N47 VanDerWaalsContact O-CG 3.23Å; A43-N47 PolarHBondContact O-N 3.18Å; A43-N47 PolarHBondContact O-ND2 2.78Å; A43-N47 VanDerWaalsContact O-ND2 3.12Å; Q44-N47 PolarHBondContact O-N 2.85Å; F45-N47 VanDerWaalsContact C-N 3.33Å; F45-N47 PolarHBondContact O-N 2.88Å
48C76.3Confident76.8Confident19 Ų1966.5 Ų66.513%0.12837%0.374CS..Hα-helixtrans-69.3-37.5173.3-700000111.4Q44 F45 L46 A50 K51 Y67Q44-C48 PolarHBondContact O-N 3.32Å; Q44-C48 PolarHBondContact O-SG 3.05Å; F45-C48 PolarHBondContact O-N 2.91Å; F45-C48 VanDerWaalsContact O-N 3.17Å; L46-C48 VanDerWaalsContact C-N 3.32Å; L46-C48 PolarHBondContact O-N 2.8Å; C48-A50 VanDerWaalsContact C-N 3.25Å; C48-A50 PolarHBondContact O-N 2.74Å; C48-K51 CarbonylContact O-C 3.3Å; C48-K51 PolarHBondContact O-N 2.76Å; C48-K51 VanDerWaalsContact O-N 3.14Å; C48-Y67 HydrophobicContact CB-CD1 4.27Å
49L74Confident76.5Confident39 Ų3976.6 Ų76.620%0.20442%0.417CS..Hα-helixtrans-69.8-21179.7-62.3169.7000113.6F45 L46 K51 S236 F237 H240F45-L49 WeakPolarHBondContact O-CG 3.29Å; F45-L49 PolarHBondContact O-N 3Å; L46-L49 PolarHBondContact O-N 3.24Å; L49-K51 PolarHBondContact O-N 3.02Å; L49-K51 VanDerWaalsContact O-N 3.11Å; L49-S236 WeakPolarHBondContact CD1-O 3.45Å; L49-F237 HydrophobicContact CD1-CB 4.38Å; L49-F237 HydrophobicContact CD2-CD2 4.33Å; L49-H240 HydrophobicContact CD2-CB 3.39Å; L49-H240 WeakPolarHBondContact CD2-CD2 3.3Å
50A66.2Low76.6Confident80 Ų8075.8 Ų75.866%0.66141%0.409SS*.THydrogen-bonded Turntrans-64-9.717100000113.7L46 C48L46-A50 PolarHBondContact O-N 3.18Å; C48-A50 VanDerWaalsContact C-N 3.25Å; C48-A50 PolarHBondContact O-N 2.74Å
51K64.3Low76.6Confident170 Ų17072.6 Ų72.674%0.73940%0.395SS*.SBendtrans-13582.9169.7-68.7-177.1179.9179.40109.3C48 L49 V53C48-K51 CarbonylContact O-C 3.3Å; C48-K51 PolarHBondContact O-N 2.76Å; C48-K51 VanDerWaalsContact O-N 3.14Å; L49-K51 PolarHBondContact O-N 3.02Å; L49-K51 VanDerWaalsContact O-N 3.11Å; K51-V53 PolarHBondContact O-N 3.09Å
52P55.8Low76.6Confident82 Ų8272.6 Ų72.653%0.53240%0.396SS..  trans-59.4116.4179.524.8-33.8000110.1N54P52-N54 PolarHBondContact O-N 3.03Å
53V66.9Low76.5Confident46 Ų4674 Ų7428%0.27940%0.403SS..  trans-81.9109.4174.7176.70000107K51 E66 Y67 Q244K51-V53 PolarHBondContact O-N 3.09Å; V53-E66 WeakPolarHBondContact CG2-O 3.17Å; V53-Y67 HydrophobicContact CB-CE1 4.24Å; V53-Y67 HydrophobicContact CG2-CD1 4.48Å; V53-Y67 HydrophobicContact CG2-CE1 4.4Å; V53-Q244 PolarHBondContact O-NE2 3.17Å
54N63.3Low76.7Confident127 Ų12771.3 Ų71.368%0.67938%0.381SS*.PPolyproline II helixtrans-60.6137.3171.4-69.4-16.9000109.1P52 I56P52-N54 PolarHBondContact O-N 3.03Å; N54-I56 WeakPolarHBondContact O-CG1 3.43Å; N54-I56 PolarHBondContact O-N 3.49Å
55A72.5Confident76.9Confident31 Ų3169.7 Ų69.726%0.25637%0.373SS..PPolyproline II helixtrans-63.1126.317800000110.3L63 T64 S65 F79A55-L63 HydrophobicContact CB-CD1 4.07Å; A55-L63 HydrophobicContact CB-CD2 3.97Å; A55-L63 HydrophobicContact CB-CG 3.77Å; A55-T64 CarbonylContact C-O 3.06Å; A55-T64 WeakPolarHBondContact CA-O 3.37Å; A55-S65 WeakPolarHBondContact CA-OG 3.27Å; A55-F79 HydrophobicContact CB-CD2 4.18Å; A55-F79 HydrophobicContact CB-CE2 3.89Å
56I78.9Confident76.9Confident99 Ų9973.4 Ų73.451%0.50839%0.391SS..EExtended strand (participates in β ladder)trans-98.4128.8-174.4-56.7175.1000108.3N54 S58 L63 T64N54-I56 WeakPolarHBondContact O-CG1 3.43Å; N54-I56 PolarHBondContact O-N 3.49Å; I56-S58 PolarHBondContact O-N 3.24Å; I56-L63 WeakPolarHBondContact O-CA 3.09Å; I56-T64 PolarHBondContact N-O 2.99Å; I56-T64 PolarHBondContact O-N 2.83Å
57D79.6Confident77.1Confident133 Ų13370 Ų7071%0.71137%0.372SS*.EExtended strand (participates in β ladder)trans-76.7109.8168.1-177.727.8000110L63D57-L63 HydrophobicContact CB-CD1 4.38Å
58S81.4Confident77.3Confident28 Ų2870.1 Ų70.120%0.19637%0.372CS..EExtended strand (participates in β ladder)trans-109.4134177.5171.60000110.6I56 E60 Y61 G62I56-S58 PolarHBondContact O-N 3.24Å; S58-E60 PolarHBondContact O-N 2.69Å; S58-E60 VanDerWaalsContact O-N 3.08Å; S58-E60 PolarHBondContact OG-N 3.18Å; S58-E60 VanDerWaalsContact OG-N 3.17Å; S58-Y61 PolarHBondContact O-N 2.75Å; S58-Y61 PolarHBondContact OG-N 3.47Å; S58-G62 PolarHBondContact N-O 3.1Å; S58-G62 VanDerWaalsContact O-CA 3.29Å; S58-G62 WeakPolarHBondContact O-CA 3.35Å; S58-G62 PolarHBondContact O-N 3.44Å
59K77.6Confident77.6Confident213 Ų21369.8 Ų69.893%0.92637%0.369SS*.THydrogen-bonded Turntrans-58.4-23.3172.8-65.9-175.7179.4179.80113.6
60E80Confident77.9Confident111 Ų11171.9 Ų71.952%0.51937%0.374SS..THydrogen-bonded Turntrans-98.2-28-176.9-61.4-177.8171.500112.6S58 F88S58-E60 PolarHBondContact O-N 2.69Å; S58-E60 VanDerWaalsContact O-N 3.08Å; S58-E60 PolarHBondContact OG-N 3.18Å; S58-E60 VanDerWaalsContact OG-N 3.17Å; E60-F88 WeakPolarHBondContact O-CB 3.44Å; E60-F88 VanDerWaalsContact O-CD2 3.27Å; E60-F88 WeakPolarHBondContact O-CD2 3.38Å
61Y82.5Confident78.1Confident26 Ų2675.8 Ų75.810%0.10238%0.378CS..THydrogen-bonded Turntrans-117.6-7.7-173.8-56.2-50.7000114.8S58 T64 L78 F88 E92S58-Y61 PolarHBondContact O-N 2.75Å; S58-Y61 PolarHBondContact OG-N 3.47Å; Y61-T64 HydrophobicContact CD2-CG2 4.16Å; Y61-T64 HydrophobicContact CG-CG2 4.43Å; Y61-L78 HydrophobicContact CG-CD2 4.46Å; Y61-F88 HydrophobicContact CD1-CB 3.97Å; Y61-F88 HydrophobicContact CE1-CB 3.79Å; Y61-E92 HydrophobicContact CE1-CB 4.5Å; Y61-E92 WeakPolarHBondContact OH-CB 3.32Å; Y61-E92 WeakPolarHBondContact OH-CG 3.37Å; Y61-E92 PolarHBondContact OH-OE1 2.81Å
62G83.7Confident78.6Confident5 Ų568.6 Ų68.65%0.05235%0.348CS..EExtended strand (participates in β ladder)trans66.4-149.9-16300000110.3S58 T64 Q85S58-G62 PolarHBondContact N-O 3.1Å; S58-G62 VanDerWaalsContact O-CA 3.29Å; S58-G62 WeakPolarHBondContact O-CA 3.35Å; S58-G62 PolarHBondContact O-N 3.44Å; G62-T64 PolarHBondContact O-N 3.25Å; G62-Q85 VanDerWaalsContact CA-NE2 3.33Å; G62-Q85 VanDerWaalsContact N-CD 3.35Å
63L84Confident79.9Confident53 Ų5365.1 Ų65.128%0.27733%0.325SS..EExtended strand (participates in β ladder)trans-72.2120.4175.5-164.681.6000110.1A55 I56 D57 F79 P246A55-L63 HydrophobicContact CB-CD1 4.07Å; A55-L63 HydrophobicContact CB-CD2 3.97Å; A55-L63 HydrophobicContact CB-CG 3.77Å; I56-L63 WeakPolarHBondContact O-CA 3.09Å; D57-L63 HydrophobicContact CB-CD1 4.38Å; L63-F79 HydrophobicContact CB-CB 4.2Å; L63-F79 HydrophobicContact CD2-CB 4.05Å; L63-F79 HydrophobicContact CD2-CD2 4.2Å; L63-F79 HydrophobicContact CD2-CG 4.31Å; L63-F79 HydrophobicContact CG-CB 4.47Å; L63-F79 HydrophobicContact CG-CD2 4.33Å; L63-F79 WeakPolarHBondContact O-CD2 3.36Å; L63-F79 PolarHBondContact O-N 3.26Å; L63-P246 HydrophobicContact CD2-CB 4.37Å; L63-P246 HydrophobicContact CD2-CG 3.81Å
64T89Confident80.8Confident4 Ų463.5 Ų63.53%0.02532%0.315CS..EExtended strand (participates in β ladder)trans-142.1145.5-173-1740000113.6A55 I56 Y61 G62 R76 V77A55-T64 CarbonylContact C-O 3.06Å; A55-T64 WeakPolarHBondContact CA-O 3.37Å; I56-T64 PolarHBondContact N-O 2.99Å; I56-T64 PolarHBondContact O-N 2.83Å; Y61-T64 HydrophobicContact CD2-CG2 4.16Å; Y61-T64 HydrophobicContact CG-CG2 4.43Å; G62-T64 PolarHBondContact O-N 3.25Å; T64-R76 WeakPolarHBondContact OG1-CG 3.28Å; T64-R76 PolarHBondContact OG1-NH1 2.85Å; T64-V77 WeakPolarHBondContact CA-O 3.18Å; T64-V77 WeakPolarHBondContact CB-O 3.34Å; T64-V77 PolarHBondContact OG1-O 3.4Å
65S87.7Confident82.1Confident0 Ų057.5 Ų57.50%028%0.282CS..EExtended strand (participates in β ladder)trans-119.5146.4169.4-65.20000110.4A55 V77 Q244A55-S65 WeakPolarHBondContact CA-OG 3.27Å; S65-V77 PolarHBondContact N-O 2.88Å; S65-V77 VanDerWaalsContact N-O 3.09Å; S65-V77 PolarHBondContact O-N 3.05Å; S65-Q244 PolarHBondContact OG-OE1 3.1Å
66E87.5Confident83Confident79 Ų7956.1 Ų56.137%0.36927%0.271SS..EExtended strand (participates in β ladder)trans-126.6136-176.1-69.8-179.9-144.500111.6V53 F74 R76V53-E66 WeakPolarHBondContact CG2-O 3.17Å; E66-F74 HydrophobicContact CB-CE2 4.1Å; E66-F74 HydrophobicContact CB-CZ 4.48Å; E66-F74 HydrophobicContact CG-CE2 4.18Å; E66-F74 HydrophobicContact CG-CZ 4.07Å; E66-R76 VanDerWaalsContact CD-NH1 3.28Å; E66-R76 IonicContact OE1-CZ 2.69Å; E66-R76 IonicContact OE1-NH1 3.33Å; E66-R76 PolarHBondContact OE1-NH1 3.19Å; E66-R76 IonicContact OE1-NH2 2.92Å; E66-R76 PolarHBondContact OE1-NH2 2.61Å; E66-R76 IonicContact OE2-NH2 3.35Å
67Y87.4Confident83.6Confident7 Ų751.4 Ų51.43%0.02725%0.247CC..EExtended strand (participates in β ladder)trans-138.4132.8179.9-50.2-92.3000111C48 V53 I75 V77 F237 H240 Q244C48-Y67 HydrophobicContact CB-CD1 4.27Å; V53-Y67 HydrophobicContact CB-CE1 4.24Å; V53-Y67 HydrophobicContact CG2-CD1 4.48Å; V53-Y67 HydrophobicContact CG2-CE1 4.4Å; Y67-I75 PolarHBondContact N-O 2.87Å; Y67-I75 PolarHBondContact O-N 2.75Å; Y67-V77 HydrophobicContact CD2-CG2 4.35Å; Y67-V77 HydrophobicContact CE2-CG2 3.86Å; Y67-F237 AromaticContact CD1-CE2 3.97Å; Y67-F237 HydrophobicContact CD1-CE2 3.97Å; Y67-F237 AromaticContact CD2-CE2 3.79Å; Y67-F237 HydrophobicContact CD2-CE2 3.79Å; Y67-F237 AromaticContact CD2-CZ 3.95Å; Y67-F237 HydrophobicContact CD2-CZ 3.95Å; Y67-F237 HydrophobicContact CE1-CE2 4.12Å; Y67-F237 AromaticContact CE2-CE2 3.97Å; Y67-F237 HydrophobicContact CE2-CE2 3.97Å; Y67-F237 HydrophobicContact CE2-CZ 4.24Å; Y67-F237 AromaticContact CG-CE2 3.79Å; Y67-F237 HydrophobicContact CG-CE2 3.79Å; Y67-F237 HydrophobicContact CG-CZ 4.29Å; Y67-H240 AromaticContact CE1-NE2 3.75Å; Y67-H240 AromaticContact CZ-CD2 3.9Å; Y67-H240 AromaticContact CZ-NE2 3.77Å; Y67-H240 PolarHBondContact OH-CD2 3.32Å; Y67-H240 PolarHBondContact OH-NE2 3Å; Y67-Q244 PolarHBondContact OH-OE1 3.43Å
68I84.6Confident84.2Confident120 Ų12045.1 Ų45.162%0.61521%0.213SC*.EExtended strand (participates in β ladder)trans-110.8102.6177.9-59.5170.5000108R70 F74I68-R70 WeakPolarHBondContact CG2-O 2.96Å; I68-F74 HydrophobicContact CG1-CD2 4.09Å
69L83.4Confident84.5Confident12 Ų1244 Ų446%0.06320%0.204CC..EExtended strand (participates in β ladder)trans-73.7-38.3175.2-70.7172.3000111.1F34 L41 Q44 F45 V73 I75F34-L69 HydrophobicContact CE1-CD1 4.26Å; F34-L69 HydrophobicContact CZ-CD1 4.01Å; L41-L69 HydrophobicContact CD2-CB 4.49Å; Q44-L69 HydrophobicContact CB-CB 4.33Å; Q44-L69 HydrophobicContact CB-CD2 3.63Å; F45-L69 HydrophobicContact CD1-CD1 4.5Å; F45-L69 HydrophobicContact CD1-CD2 3.97Å; F45-L69 HydrophobicContact CD2-CD2 4.35Å; F45-L69 HydrophobicContact CE1-CD1 3.96Å; F45-L69 HydrophobicContact CE1-CD2 4.25Å; F45-L69 HydrophobicContact CE2-CD1 4.14Å; F45-L69 HydrophobicContact CG-CD2 4.05Å; F45-L69 HydrophobicContact CZ-CD1 3.78Å; L69-V73 HydrophobicContact CB-CB 4.16Å; L69-V73 HydrophobicContact CB-CG1 3.99Å; L69-V73 HydrophobicContact CD1-CG1 3.87Å; L69-V73 HydrophobicContact CG-CG1 4.49Å; L69-V73 PolarHBondContact N-O 2.75Å; L69-I75 HydrophobicContact CD1-CD1 3.77Å; L69-I75 HydrophobicContact CD1-CG1 4.28Å; L69-I75 HydrophobicContact CG-CD1 4.26Å
70R79.7Confident84.8Confident84 Ų8434.3 Ų34.332%0.31716%0.163SC..EExtended strand (participates in β ladder)trans-151.2164.7176.6-61.5-171.8177.2-159.6-8.9109.7K40 L41 Q44 I68 N72 V73K40-R70 PolarHBondContact O-NH2 2.9Å; L41-R70 HydrophobicContact CD2-CG 4.39Å; Q44-R70 VanDerWaalsContact OE1-NH2 3.14Å; I68-R70 WeakPolarHBondContact CG2-O 2.96Å; R70-N72 PolarHBondContact O-N 2.71Å; R70-V73 HydrophobicContact CB-CB 4.11Å; R70-V73 HydrophobicContact CB-CG2 4.13Å; R70-V73 HydrophobicContact CG-CG2 4.47Å; R70-V73 PolarHBondContact N-O 2.98Å; R70-V73 CarbonylContact O-C 3.24Å; R70-V73 PolarHBondContact O-N 2.87Å; R70-V73 VanDerWaalsContact O-O 3.1Å
71E70.9Confident85.2Confident161 Ų16129 Ų2975%0.75214%0.138SC*.THydrogen-bonded Turntrans-48.9-22.2169.7-59.4173.7160.500114.7N100E71-N100 PolarHBondContact O-ND2 2.84Å
72N74Confident85.4Confident20 Ų2029.2 Ų29.211%0.10714%0.142CC..THydrogen-bonded Turntrans-120.49.8-178.9-63.9-89.8000112.9Q4 R70Q4-N72 PolarHBondContact N-O 3.15Å; R70-N72 PolarHBondContact O-N 2.71Å
73V82.9Confident85.2Confident9 Ų929.8 Ų29.86%0.05515%0.145CC..EExtended strand (participates in β ladder)trans-138.4105-177.4-173.40000110.3Q4 F34 L69 R70Q4-V73 WeakPolarHBondContact O-CA 3.36Å; F34-V73 HydrophobicContact CE1-CG1 3.84Å; L69-V73 HydrophobicContact CB-CB 4.16Å; L69-V73 HydrophobicContact CB-CG1 3.99Å; L69-V73 HydrophobicContact CD1-CG1 3.87Å; L69-V73 HydrophobicContact CG-CG1 4.49Å; L69-V73 PolarHBondContact N-O 2.75Å; R70-V73 HydrophobicContact CB-CB 4.11Å; R70-V73 HydrophobicContact CB-CG2 4.13Å; R70-V73 HydrophobicContact CG-CG2 4.47Å; R70-V73 PolarHBondContact N-O 2.98Å; R70-V73 CarbonylContact O-C 3.24Å; R70-V73 PolarHBondContact O-N 2.87Å; R70-V73 VanDerWaalsContact O-O 3.1Å
74F85.9Confident85.3Confident12 Ų1231.7 Ų31.75%0.05316%0.155CC..EExtended strand (participates in β ladder)trans-115.5143.1-178.4173.3-113.3000111.1Q4 V6 E66 I68 R76 H96Q4-F74 PolarHBondContact O-N 3.47Å; V6-F74 PolarHBondContact N-O 2.79Å; E66-F74 HydrophobicContact CB-CE2 4.1Å; E66-F74 HydrophobicContact CB-CZ 4.48Å; E66-F74 HydrophobicContact CG-CE2 4.18Å; E66-F74 HydrophobicContact CG-CZ 4.07Å; I68-F74 HydrophobicContact CG1-CD2 4.09Å; F74-R76 HydrophobicContact CE1-CB 3.87Å; F74-R76 HydrophobicContact CZ-CB 4.03Å; F74-H96 WeakPolarHBondContact CB-CE1 3.47Å
75I90.3Very high85.3Confident0 Ų033.1 Ų33.10%016%0.162CC..EExtended strand (participates in β ladder)trans-124.8122.3171.5-47.7-176.6000109V6 V8 F34 F45 Y67 L69 F237V6-I75 HydrophobicContact CB-CG1 4.21Å; V6-I75 HydrophobicContact CB-CG2 4.3Å; V6-I75 HydrophobicContact CG1-CG2 4.45Å; V6-I75 CarbonylContact O-C 3.5Å; V6-I75 VanDerWaalsContact O-CA 3.29Å; V6-I75 WeakPolarHBondContact O-CA 3.25Å; V8-I75 HydrophobicContact CG2-CG2 4.07Å; F34-I75 HydrophobicContact CE2-CD1 4.32Å; F34-I75 HydrophobicContact CZ-CD1 3.96Å; F34-I75 HydrophobicContact CZ-CG1 4.33Å; F45-I75 HydrophobicContact CE1-CD1 3.68Å; F45-I75 HydrophobicContact CZ-CD1 4.26Å; Y67-I75 PolarHBondContact N-O 2.87Å; Y67-I75 PolarHBondContact O-N 2.75Å; L69-I75 HydrophobicContact CD1-CD1 3.77Å; L69-I75 HydrophobicContact CD1-CG1 4.28Å; L69-I75 HydrophobicContact CG-CD1 4.26Å; I75-F237 HydrophobicContact CD1-CE1 3.93Å; I75-F237 HydrophobicContact CD1-CZ 3.76Å; I75-F237 HydrophobicContact CG2-CZ 4.24Å
76R91.3Very high85.4Confident3 Ų333.1 Ų33.11%0.01116%0.162CC..EExtended strand (participates in β ladder)trans-105.5136.7163.2180177.2-67.1-70.50.1109.4V6 L7 V8 T64 E66 F74 L78 E92V6-R76 PolarHBondContact O-N 3.33Å; L7-R76 WeakPolarHBondContact CA-O 3.17Å; L7-R76 HydrophobicContact CD1-CB 3.97Å; L7-R76 HydrophobicContact CD1-CG 4.09Å; V8-R76 PolarHBondContact N-O 3.01Å; T64-R76 WeakPolarHBondContact OG1-CG 3.28Å; T64-R76 PolarHBondContact OG1-NH1 2.85Å; E66-R76 VanDerWaalsContact CD-NH1 3.28Å; E66-R76 IonicContact OE1-CZ 2.69Å; E66-R76 IonicContact OE1-NH1 3.33Å; E66-R76 PolarHBondContact OE1-NH1 3.19Å; E66-R76 IonicContact OE1-NH2 2.92Å; E66-R76 PolarHBondContact OE1-NH2 2.61Å; E66-R76 IonicContact OE2-NH2 3.35Å; F74-R76 HydrophobicContact CE1-CB 3.87Å; F74-R76 HydrophobicContact CZ-CB 4.03Å; R76-L78 HydrophobicContact CG-CD2 4.14Å; R76-E92 IonicContact CZ-OE1 3.67Å; R76-E92 IonicContact CZ-OE2 2.67Å; R76-E92 VanDerWaalsContact CZ-OE2 3.25Å; R76-E92 IonicContact NE-OE1 3.13Å; R76-E92 IonicContact NE-OE2 2.71Å; R76-E92 PolarHBondContact NE-OE2 2.88Å; R76-E92 VanDerWaalsContact NH2-CD 3.25Å; R76-E92 IonicContact NH2-OE1 2.79Å; R76-E92 PolarHBondContact NH2-OE1 3.46Å; R76-E92 IonicContact NH2-OE2 2.85Å; R76-E92 PolarHBondContact NH2-OE2 2.62Å
77V92Very high85.4Confident0 Ų031.8 Ų31.80%015%0.154CC..EExtended strand (participates in β ladder)trans-107.4131.3168.9-171.70000108.4V8 T64 S65 Y67 F79 I241V8-V77 HydrophobicContact CB-CB 4.43Å; V8-V77 HydrophobicContact CB-CG1 4.27Å; V8-V77 HydrophobicContact CB-CG2 4.16Å; V8-V77 HydrophobicContact CG1-CG1 4.21Å; V8-V77 CarbonylContact O-C 3.54Å; V8-V77 WeakPolarHBondContact O-CA 3.44Å; T64-V77 WeakPolarHBondContact CA-O 3.18Å; T64-V77 WeakPolarHBondContact CB-O 3.34Å; T64-V77 PolarHBondContact OG1-O 3.4Å; S65-V77 PolarHBondContact N-O 2.88Å; S65-V77 VanDerWaalsContact N-O 3.09Å; S65-V77 PolarHBondContact O-N 3.05Å; Y67-V77 HydrophobicContact CD2-CG2 4.35Å; Y67-V77 HydrophobicContact CE2-CG2 3.86Å; V77-F79 HydrophobicContact CB-CE2 4.2Å; V77-F79 HydrophobicContact CB-CZ 4.29Å; V77-F79 HydrophobicContact CG1-CD1 4.27Å; V77-F79 HydrophobicContact CG1-CD2 4.25Å; V77-F79 HydrophobicContact CG1-CE1 3.83Å; V77-F79 HydrophobicContact CG1-CE2 3.8Å; V77-F79 HydrophobicContact CG1-CG 4.48Å; V77-F79 HydrophobicContact CG1-CZ 3.57Å; V77-I241 HydrophobicContact CG1-CG2 4.16Å; V77-I241 HydrophobicContact CG2-CD1 3.69Å; V77-I241 HydrophobicContact CG2-CG1 4.1Å
78L92Very high85.4Confident0 Ų035.7 Ų35.70%017%0.171CC..EExtended strand (participates in β ladder)trans-112.5125.4171.1-60.5-179.5000108.9L7 V8 A10 Y61 R76 P81 L86L7-L78 HydrophobicContact CD1-CD1 3.95Å; L7-L78 HydrophobicContact CD1-CG 3.97Å; V8-L78 PolarHBondContact O-N 3.32Å; A10-L78 PolarHBondContact N-O 3.17Å; Y61-L78 HydrophobicContact CG-CD2 4.46Å; R76-L78 HydrophobicContact CG-CD2 4.14Å; L78-P81 HydrophobicContact CB-CB 4.1Å; L78-P81 HydrophobicContact CB-CG 3.83Å; L78-P81 HydrophobicContact CD1-CB 4.33Å; L78-P81 HydrophobicContact CD1-CG 4.31Å; L78-L86 HydrophobicContact CD1-CD1 4.27Å
79F88.6Confident85.6Confident5 Ų530 Ų302%0.02214%0.142CC..EExtended strand (participates in β ladder)trans-104.8116.9-177.9-64.3-80000110.9A10 A55 L63 V77 I241 Q244 H245 P246A10-F79 HydrophobicContact CB-CD1 4.37Å; A55-F79 HydrophobicContact CB-CD2 4.18Å; A55-F79 HydrophobicContact CB-CE2 3.89Å; L63-F79 HydrophobicContact CB-CB 4.2Å; L63-F79 HydrophobicContact CD2-CB 4.05Å; L63-F79 HydrophobicContact CD2-CD2 4.2Å; L63-F79 HydrophobicContact CD2-CG 4.31Å; L63-F79 HydrophobicContact CG-CB 4.47Å; L63-F79 HydrophobicContact CG-CD2 4.33Å; L63-F79 WeakPolarHBondContact O-CD2 3.36Å; L63-F79 PolarHBondContact O-N 3.26Å; V77-F79 HydrophobicContact CB-CE2 4.2Å; V77-F79 HydrophobicContact CB-CZ 4.29Å; V77-F79 HydrophobicContact CG1-CD1 4.27Å; V77-F79 HydrophobicContact CG1-CD2 4.25Å; V77-F79 HydrophobicContact CG1-CE1 3.83Å; V77-F79 HydrophobicContact CG1-CE2 3.8Å; V77-F79 HydrophobicContact CG1-CG 4.48Å; V77-F79 HydrophobicContact CG1-CZ 3.57Å; F79-I241 HydrophobicContact CE1-CG2 4.33Å; F79-Q244 HydrophobicContact CE1-CB 4.05Å; F79-Q244 HydrophobicContact CZ-CB 3.69Å; F79-H245 HydrophobicContact CD1-CB 4.3Å; F79-H245 AromaticContact CD1-CD2 3.69Å; F79-H245 HydrophobicContact CE1-CB 4.4Å; F79-P246 HydrophobicContact CB-CG 3.84Å
80N83.4Confident85.8Confident10 Ų1029.8 Ų29.85%0.05314%0.14CC..SBendtrans38.958.1-173.1-171.325.5000113.4A10 R12 Q135 T248A10-N80 PolarHBondContact O-N 3.08Å; R12-N80 WeakPolarHBondContact CG-OD1 3.31Å; N80-Q135 WeakPolarHBondContact O-CB 3.12Å; N80-Q135 WeakPolarHBondContact OD1-CA 3.32Å; N80-Q135 PolarHBondContact OD1-N 2.61Å; N80-T248 WeakPolarHBondContact ND2-CG2 3.13Å; N80-T248 PolarHBondContact ND2-OG1 3.39Å
81P89.6Confident85.9Confident0 Ų028.6 Ų28.60%014%0.139CC..  trans-74.8156.6-177.132.1-36.5000112.2V9 L78 Q85 L134 Q135V9-P81 HydrophobicContact CG1-CG 4.13Å; L78-P81 HydrophobicContact CB-CB 4.1Å; L78-P81 HydrophobicContact CB-CG 3.83Å; L78-P81 HydrophobicContact CD1-CB 4.33Å; L78-P81 HydrophobicContact CD1-CG 4.31Å; P81-Q85 HydrophobicContact CB-CB 3.85Å; P81-L134 HydrophobicContact CG-CD2 4.48Å; P81-L134 WeakPolarHBondContact O-CB 3.28Å; P81-Q135 WeakPolarHBondContact O-CB 3.43Å; P81-Q135 PolarHBondContact O-N 3.05Å
82T85.4Confident86.5Confident30 Ų3023.4 Ų23.418%0.18411%0.114CC..  trans-71.4168.9161.265.60000111.9D84 Q85 L86 Q135 D136T82-D84 VanDerWaalsContact C-N 3.3Å; T82-D84 PolarHBondContact O-N 2.8Å; T82-Q85 PolarHBondContact O-N 2.75Å; T82-Q85 WeakPolarHBondContact OG1-CB 3.45Å; T82-Q85 VanDerWaalsContact OG1-CG 3.27Å; T82-Q85 WeakPolarHBondContact OG1-CG 3.5Å; T82-Q85 PolarHBondContact OG1-N 2.77Å; T82-Q85 VanDerWaalsContact OG1-N 3.14Å; T82-Q85 PolarHBondContact OG1-OE1 2.74Å; T82-L86 PolarHBondContact O-N 2.95Å; T82-Q135 HydrophobicContact CG2-CB 4.17Å; T82-Q135 VanDerWaalsContact CG2-OE1 3.24Å; T82-D136 WeakPolarHBondContact CB-OD2 3.38Å; T82-D136 HydrophobicContact CG2-CB 4.37Å
83S80.7Confident87Confident16 Ų1622.5 Ų22.511%0.11211%0.11CC..Hα-helixtrans-58.9-40.8173.7-1460000111.8R87 D136 W147S83-R87 WeakPolarHBondContact O-CB 3.36Å; S83-R87 PolarHBondContact O-N 2.92Å; S83-D136 WeakPolarHBondContact CB-OD2 3.5Å; S83-D136 VanDerWaalsContact N-CG 3.27Å; S83-D136 PolarHBondContact N-OD1 3.32Å; S83-D136 PolarHBondContact N-OD2 2.83Å; S83-W147 WeakPolarHBondContact O-CH2 3.32Å; S83-W147 VanDerWaalsContact OG-CZ2 3.31Å; S83-W147 WeakPolarHBondContact OG-CZ2 3.18Å
84D84.8Confident86.8Confident93 Ų9322.2 Ų22.250%0.49711%0.108SC..Hα-helixtrans-69.6-39.6177.2-76.2-35.5000112.4T82 L86 R87 F88T82-D84 VanDerWaalsContact C-N 3.3Å; T82-D84 PolarHBondContact O-N 2.8Å; D84-L86 PolarHBondContact O-N 2.78Å; D84-R87 WeakPolarHBondContact O-CA 3.49Å; D84-R87 VanDerWaalsContact O-CB 3.27Å; D84-R87 WeakPolarHBondContact O-CB 3.13Å; D84-R87 PolarHBondContact O-N 3.4Å; D84-R87 VanDerWaalsContact O-N 3.08Å; D84-F88 HydrophobicContact CB-CE2 4.38Å; D84-F88 WeakPolarHBondContact O-CD2 3.48Å; D84-F88 PolarHBondContact O-N 2.97Å
85Q89.4Confident86.2Confident34 Ų3423.8 Ų23.816%0.15912%0.12CC..Hα-helixtrans-64.3-40.3176.4-72.6164.3-1100112.1G62 P81 T82 R87 F88 G89G62-Q85 VanDerWaalsContact CA-NE2 3.33Å; G62-Q85 VanDerWaalsContact N-CD 3.35Å; P81-Q85 HydrophobicContact CB-CB 3.85Å; T82-Q85 PolarHBondContact O-N 2.75Å; T82-Q85 WeakPolarHBondContact OG1-CB 3.45Å; T82-Q85 VanDerWaalsContact OG1-CG 3.27Å; T82-Q85 WeakPolarHBondContact OG1-CG 3.5Å; T82-Q85 PolarHBondContact OG1-N 2.77Å; T82-Q85 VanDerWaalsContact OG1-N 3.14Å; T82-Q85 PolarHBondContact OG1-OE1 2.74Å; Q85-R87 VanDerWaalsContact C-N 3.28Å; Q85-R87 PolarHBondContact O-N 3.32Å; Q85-F88 PolarHBondContact O-N 2.72Å; Q85-G89 PolarHBondContact O-N 2.92Å
86L90.1Very high85.3Confident0 Ų025.6 Ų25.60%013%0.128CC..Hα-helixtrans-59.9-39.8170.5175.761000111.6L7 V9 L78 T82 D84 G89 L90 M119 W132 L134 F139 W147L7-L86 HydrophobicContact CD2-CD1 4.18Å; V9-L86 HydrophobicContact CB-CD1 4.42Å; V9-L86 HydrophobicContact CG1-CD1 4.03Å; V9-L86 HydrophobicContact CG2-CD1 3.47Å; V9-L86 VanDerWaalsContact CG2-CD1 3.47Å; L78-L86 HydrophobicContact CD1-CD1 4.27Å; T82-L86 PolarHBondContact O-N 2.95Å; D84-L86 PolarHBondContact O-N 2.78Å; L86-G89 PolarHBondContact O-N 3.02Å; L86-L90 WeakPolarHBondContact O-CB 3.47Å; L86-L90 PolarHBondContact O-N 2.88Å; L86-M119 HydrophobicContact CD1-CE 4.04Å; L86-W132 HydrophobicContact CD2-CE3 4.49Å; L86-L134 HydrophobicContact CB-CD1 4.31Å; L86-L134 HydrophobicContact CD2-CD1 3.72Å; L86-L134 HydrophobicContact CD2-CD2 4.4Å; L86-F139 HydrophobicContact CD2-CB 4.49Å; L86-F139 HydrophobicContact CD2-CD1 3.72Å; L86-F139 HydrophobicContact CD2-CD2 4.07Å; L86-F139 HydrophobicContact CD2-CE1 3.85Å; L86-F139 HydrophobicContact CD2-CE2 4.22Å; L86-F139 HydrophobicContact CD2-CG 3.82Å; L86-F139 HydrophobicContact CD2-CZ 4.09Å; L86-W147 HydrophobicContact CD2-CH2 4.49Å; L86-W147 HydrophobicContact CD2-CZ3 4.42Å; L86-W147 HydrophobicContact CG-CZ3 4.27Å
87R86.7Confident84.3Confident52 Ų5225.4 Ų25.420%0.19613%0.128CC..Hα-helixtrans-65.1-44.3178.5-169.6-176.9-178-164.30.9112S83 D84 Q85 L90 Q91 W147 E152S83-R87 WeakPolarHBondContact O-CB 3.36Å; S83-R87 PolarHBondContact O-N 2.92Å; D84-R87 WeakPolarHBondContact O-CA 3.49Å; D84-R87 VanDerWaalsContact O-CB 3.27Å; D84-R87 WeakPolarHBondContact O-CB 3.13Å; D84-R87 PolarHBondContact O-N 3.4Å; D84-R87 VanDerWaalsContact O-N 3.08Å; Q85-R87 VanDerWaalsContact C-N 3.28Å; Q85-R87 PolarHBondContact O-N 3.32Å; R87-L90 PolarHBondContact O-N 2.89Å; R87-Q91 WeakPolarHBondContact O-CB 3.35Å; R87-Q91 PolarHBondContact O-N 3.17Å; R87-W147 HydrophobicContact CB-CD2 4.48Å; R87-W147 HydrophobicContact CB-CE3 4.03Å; R87-W147 HydrophobicContact CB-CH2 3.83Å; R87-W147 HydrophobicContact CB-CZ2 4.27Å; R87-W147 HydrophobicContact CB-CZ3 3.68Å; R87-W147 HydrophobicContact CG-CD2 4.1Å; R87-W147 HydrophobicContact CG-CE3 3.91Å; R87-W147 HydrophobicContact CG-CH2 4.47Å; R87-W147 HydrophobicContact CG-CZ3 4.1Å; R87-E152 IonicContact CZ-OE2 2.69Å; R87-E152 IonicContact NH1-OE2 3.71Å; R87-E152 PolarHBondContact NH1-OE2 3.4Å; R87-E152 IonicContact NH2-OE2 2.74Å; R87-E152 PolarHBondContact NH2-OE2 2.96Å
88F86.8Confident83Confident89 Ų8926 Ų2639%0.3913%0.131SC..Hα-helixtrans-61.6-47.7174-72.1-65000111.3E60 Y61 D84 Q85 L90 Q91 E92E60-F88 WeakPolarHBondContact O-CB 3.44Å; E60-F88 VanDerWaalsContact O-CD2 3.27Å; E60-F88 WeakPolarHBondContact O-CD2 3.38Å; Y61-F88 HydrophobicContact CD1-CB 3.97Å; Y61-F88 HydrophobicContact CE1-CB 3.79Å; D84-F88 HydrophobicContact CB-CE2 4.38Å; D84-F88 WeakPolarHBondContact O-CD2 3.48Å; D84-F88 PolarHBondContact O-N 2.97Å; Q85-F88 PolarHBondContact O-N 2.72Å; F88-L90 VanDerWaalsContact C-N 3.3Å; F88-L90 PolarHBondContact O-N 2.68Å; F88-Q91 PolarHBondContact O-N 2.68Å; F88-Q91 VanDerWaalsContact O-N 3.17Å; F88-E92 PolarHBondContact O-N 3.47Å
89G88.8Confident81.5Confident0 Ų029.5 Ų29.50%015%0.152CC..Hα-helixtrans-60.2-35.8177.500000113.7Q85 L86 A93Q85-G89 PolarHBondContact O-N 2.92Å; L86-G89 PolarHBondContact O-N 3.02Å; G89-A93 VanDerWaalsContact O-CB 3.32Å; G89-A93 WeakPolarHBondContact O-CB 3.44Å; G89-A93 PolarHBondContact O-N 3.39Å
90L88.3Confident80Confident7 Ų730.7 Ų30.74%0.03716%0.159CC..Hα-helixtrans-71-41.7173.8177.160.2000112.5L7 L86 R87 F88 E92 A93 L94 V117 M119 L144 L172L7-L90 HydrophobicContact CD2-CB 4.3Å; L86-L90 WeakPolarHBondContact O-CB 3.47Å; L86-L90 PolarHBondContact O-N 2.88Å; R87-L90 PolarHBondContact O-N 2.89Å; F88-L90 VanDerWaalsContact C-N 3.3Å; F88-L90 PolarHBondContact O-N 2.68Å; L90-E92 VanDerWaalsContact C-N 3.29Å; L90-E92 PolarHBondContact O-N 2.9Å; L90-A93 PolarHBondContact O-N 3.29Å; L90-L94 HydrophobicContact CD1-CD1 4.26Å; L90-L94 HydrophobicContact CD1-CG 4.45Å; L90-L94 HydrophobicContact CG-CD1 4.28Å; L90-L94 WeakPolarHBondContact O-CG 3.38Å; L90-L94 PolarHBondContact O-N 3.31Å; L90-V117 HydrophobicContact CD1-CG1 4.47Å; L90-M119 HydrophobicContact CD1-SD 3.87Å; L90-M119 HydrophobicContact CD2-SD 4.49Å; L90-L144 HydrophobicContact CD2-CD1 3.43Å; L90-L144 VanDerWaalsContact CD2-CD1 3.43Å; L90-L172 HydrophobicContact CD1-CD1 4.17Å
91Q82.9Confident78.5Confident60 Ų6031.5 Ų31.528%0.2816%0.163SC..Hα-helixtrans-61.6-40.1175.4-177.9-179.3-48.500110.9R87 F88 S95 W156R87-Q91 WeakPolarHBondContact O-CB 3.35Å; R87-Q91 PolarHBondContact O-N 3.17Å; F88-Q91 PolarHBondContact O-N 2.68Å; F88-Q91 VanDerWaalsContact O-N 3.17Å; Q91-S95 VanDerWaalsContact O-CB 3.31Å; Q91-S95 WeakPolarHBondContact O-CB 3.4Å; Q91-S95 PolarHBondContact O-N 3.37Å; Q91-S95 PolarHBondContact O-OG 3.22Å; Q91-W156 HydrophobicContact CB-CZ2 4.38Å; Q91-W156 HydrophobicContact CG-CD2 4.07Å; Q91-W156 HydrophobicContact CG-CE3 4.39Å; Q91-W156 HydrophobicContact CG-CG 4.5Å; Q91-W156 HydrophobicContact CG-CH2 4.49Å; Q91-W156 HydrophobicContact CG-CZ2 4.14Å; Q91-W156 VanDerWaalsContact OE1-NE1 3.09Å
92E82.3Confident76.4Confident51 Ų5135 Ų3524%0.23818%0.182CC..Hα-helixtrans-69.4-45.3175-168-156.3-125.800112Y61 R76 F88 L90 L94 S95 H96Y61-E92 HydrophobicContact CE1-CB 4.5Å; Y61-E92 WeakPolarHBondContact OH-CB 3.32Å; Y61-E92 WeakPolarHBondContact OH-CG 3.37Å; Y61-E92 PolarHBondContact OH-OE1 2.81Å; R76-E92 IonicContact CZ-OE1 3.67Å; R76-E92 IonicContact CZ-OE2 2.67Å; R76-E92 VanDerWaalsContact CZ-OE2 3.25Å; R76-E92 IonicContact NE-OE1 3.13Å; R76-E92 IonicContact NE-OE2 2.71Å; R76-E92 PolarHBondContact NE-OE2 2.88Å; R76-E92 VanDerWaalsContact NH2-CD 3.25Å; R76-E92 IonicContact NH2-OE1 2.79Å; R76-E92 PolarHBondContact NH2-OE1 3.46Å; R76-E92 IonicContact NH2-OE2 2.85Å; R76-E92 PolarHBondContact NH2-OE2 2.62Å; F88-E92 PolarHBondContact O-N 3.47Å; L90-E92 VanDerWaalsContact C-N 3.29Å; L90-E92 PolarHBondContact O-N 2.9Å; E92-L94 VanDerWaalsContact C-N 3.27Å; E92-L94 PolarHBondContact O-N 2.92Å; E92-S95 CarbonylContact O-C 3.21Å; E92-S95 WeakPolarHBondContact O-CA 3.43Å; E92-S95 WeakPolarHBondContact O-CB 3.21Å; E92-S95 PolarHBondContact O-N 3.27Å; E92-H96 PolarHBondContact O-N 2.88Å
93A84.1Confident74.4Confident2 Ų238.1 Ų38.12%0.01721%0.205CC..Hα-helixtrans-59.4-37.9177.900000112.6S5 G89 L90 M97 V117S5-A93 WeakPolarHBondContact CB-O 3.2Å; S5-A93 WeakPolarHBondContact OG-CA 3.31Å; S5-A93 WeakPolarHBondContact OG-CB 3.33Å; G89-A93 VanDerWaalsContact O-CB 3.32Å; G89-A93 WeakPolarHBondContact O-CB 3.44Å; G89-A93 PolarHBondContact O-N 3.39Å; L90-A93 PolarHBondContact O-N 3.29Å; A93-M97 PolarHBondContact O-N 3.08Å; A93-V117 HydrophobicContact CB-CG1 4Å
94L78.4Confident72.4Confident2 Ų240.8 Ų40.81%0.0122%0.22CC..Hα-helixtrans-65.1-44.6167.9-74.7164.6000111.2L90 E92 H96 M97 I98 V117 L148 W156 W157 I170L90-L94 HydrophobicContact CD1-CD1 4.26Å; L90-L94 HydrophobicContact CD1-CG 4.45Å; L90-L94 HydrophobicContact CG-CD1 4.28Å; L90-L94 WeakPolarHBondContact O-CG 3.38Å; L90-L94 PolarHBondContact O-N 3.31Å; E92-L94 VanDerWaalsContact C-N 3.27Å; E92-L94 PolarHBondContact O-N 2.92Å; L94-H96 PolarHBondContact O-N 3.33Å; L94-M97 HydrophobicContact CD2-CE 4.23Å; L94-M97 PolarHBondContact O-N 2.94Å; L94-I98 WeakPolarHBondContact O-CB 3.39Å; L94-I98 WeakPolarHBondContact O-CD1 3.14Å; L94-I98 WeakPolarHBondContact O-CG1 3.44Å; L94-I98 PolarHBondContact O-N 2.83Å; L94-V117 HydrophobicContact CD2-CG2 3.89Å; L94-V117 HydrophobicContact CG-CG2 4.3Å; L94-L148 HydrophobicContact CD1-CD2 4.4Å; L94-W156 HydrophobicContact CD1-CH2 3.86Å; L94-W156 HydrophobicContact CD1-CZ3 4.42Å; L94-W157 HydrophobicContact CD1-CH2 4.04Å; L94-I170 HydrophobicContact CD2-CG2 4.18Å
95S74Confident70Confident45 Ų4540.9 Ų40.932%0.31522%0.224SC..Hα-helixtrans-63.9-36.8179.6-60.90000113.7Q91 E92 I98 V99Q91-S95 VanDerWaalsContact O-CB 3.31Å; Q91-S95 WeakPolarHBondContact O-CB 3.4Å; Q91-S95 PolarHBondContact O-N 3.37Å; Q91-S95 PolarHBondContact O-OG 3.22Å; E92-S95 CarbonylContact O-C 3.21Å; E92-S95 WeakPolarHBondContact O-CA 3.43Å; E92-S95 WeakPolarHBondContact O-CB 3.21Å; E92-S95 PolarHBondContact O-N 3.27Å; S95-I98 CarbonylContact O-C 3.52Å; S95-I98 WeakPolarHBondContact O-CA 3.34Å; S95-I98 WeakPolarHBondContact O-CB 3.12Å; S95-I98 PolarHBondContact O-N 3.48Å; S95-V99 WeakPolarHBondContact O-CB 3.42Å; S95-V99 VanDerWaalsContact O-CG2 3.27Å; S95-V99 WeakPolarHBondContact O-CG2 3.07Å; S95-V99 PolarHBondContact O-N 3.11Å
96H71.9Confident67.2Low38 Ų3848.8 Ų48.818%0.17626%0.261CS..Hα-helixtrans-65.9-47.2175178.5-91.1000111.1F74 E92 L94 I98 V99 N100F74-H96 WeakPolarHBondContact CB-CE1 3.47Å; E92-H96 PolarHBondContact O-N 2.88Å; L94-H96 PolarHBondContact O-N 3.33Å; H96-I98 PolarHBondContact O-N 3.42Å; H96-V99 PolarHBondContact O-N 2.89Å; H96-N100 PolarHBondContact CE1-ND2 2.89Å; H96-N100 PolarHBondContact NE2-ND2 3.26Å; H96-N100 PolarHBondContact O-N 2.94Å; H96-N100 VanDerWaalsContact O-N 3.1Å; H96-N100 PolarHBondContact O-OD1 3.15Å
97M70.2Confident64.4Low0 Ų057.2 Ų57.20%029%0.294CS..Hα-helixtrans-57.9-32.8171.2-179.4-149.867.900111.8A93 L94 G115 V117 F166 I170A93-M97 PolarHBondContact O-N 3.08Å; L94-M97 HydrophobicContact CD2-CE 4.23Å; L94-M97 PolarHBondContact O-N 2.94Å; M97-G115 VanDerWaalsContact SD-C 3.52Å; M97-G115 VanDerWaalsContact SD-CA 3.55Å; M97-V117 HydrophobicContact CB-CG2 4.23Å; M97-V117 HydrophobicContact SD-CG2 3.85Å; M97-F166 HydrophobicContact CE-CE1 4.26Å; M97-F166 WeakPolarHBondContact O-CZ 3.25Å; M97-I170 HydrophobicContact CE-CB 4.48Å; M97-I170 HydrophobicContact CE-CD1 3.92Å; M97-I170 HydrophobicContact CE-CG1 3.85Å; M97-I170 HydrophobicContact CE-CG2 3.86Å; M97-I170 HydrophobicContact SD-CG2 3.85Å
98I64.5Low61.6Low12 Ų1261.2 Ų61.26%0.06233%0.326CS..Hα-helixtrans-72.4-46176-71.9163.6000112.4L94 S95 H96 L160 F163 F166L94-I98 WeakPolarHBondContact O-CB 3.39Å; L94-I98 WeakPolarHBondContact O-CD1 3.14Å; L94-I98 WeakPolarHBondContact O-CG1 3.44Å; L94-I98 PolarHBondContact O-N 2.83Å; S95-I98 CarbonylContact O-C 3.52Å; S95-I98 WeakPolarHBondContact O-CA 3.34Å; S95-I98 WeakPolarHBondContact O-CB 3.12Å; S95-I98 PolarHBondContact O-N 3.48Å; H96-I98 PolarHBondContact O-N 3.42Å; I98-L160 HydrophobicContact CB-CD2 4.35Å; I98-L160 HydrophobicContact CD1-CD1 4.49Å; I98-L160 HydrophobicContact CD1-CD2 3.51Å; I98-L160 HydrophobicContact CD1-CG 3.99Å; I98-L160 HydrophobicContact CG1-CD2 3.6Å; I98-L160 HydrophobicContact CG2-CD2 3.78Å; I98-F163 HydrophobicContact CG2-CB 4.19Å; I98-F163 HydrophobicContact CG2-CD1 3.67Å; I98-F163 HydrophobicContact CG2-CD2 3.45Å; I98-F163 VanDerWaalsContact CG2-CD2 3.45Å; I98-F163 HydrophobicContact CG2-CE1 3.88Å; I98-F163 HydrophobicContact CG2-CE2 3.62Å; I98-F163 HydrophobicContact CG2-CG 3.47Å; I98-F163 VanDerWaalsContact CG2-CG 3.47Å; I98-F163 HydrophobicContact CG2-CZ 3.85Å; I98-F163 VanDerWaalsContact O-CD1 3.31Å; I98-F163 WeakPolarHBondContact O-CD1 3.43Å; I98-F166 VanDerWaalsContact CA-CZ 3.43Å; I98-F166 HydrophobicContact CB-CE2 4.47Å; I98-F166 HydrophobicContact CB-CZ 4.32Å; I98-F166 HydrophobicContact CG1-CE1 4.48Å; I98-F166 HydrophobicContact CG1-CZ 4.29Å; I98-F166 HydrophobicContact CG2-CE2 4.3Å; I98-F166 VanDerWaalsContact O-CE2 3.25Å; I98-F166 WeakPolarHBondContact O-CE2 3.33Å; I98-F166 WeakPolarHBondContact O-CZ 3.14Å
99V60.2Low59Low73 Ų7361.8 Ų61.844%0.44234%0.337SS..Hα-helixtrans-75.6-45.1-171.3169.60000112.4S95 H96 N101 N102 F163S95-V99 WeakPolarHBondContact O-CB 3.42Å; S95-V99 VanDerWaalsContact O-CG2 3.27Å; S95-V99 WeakPolarHBondContact O-CG2 3.07Å; S95-V99 PolarHBondContact O-N 3.11Å; H96-V99 PolarHBondContact O-N 2.89Å; V99-N101 VanDerWaalsContact C-N 3.26Å; V99-N101 PolarHBondContact O-N 2.86Å; V99-N102 WeakPolarHBondContact O-CB 3.27Å; V99-N102 PolarHBondContact O-N 3.29Å; V99-F163 HydrophobicContact CB-CE1 4.4Å; V99-F163 HydrophobicContact CG2-CE1 3.93Å; V99-F163 HydrophobicContact CG2-CZ 3.82Å
100N57.2Low56.3Low30 Ų3066.2 Ų66.216%0.1636%0.364CS..Hα-helixtrans-74.1-18.9-171-62.524.6000112.7E71 H96 N102 S103E71-N100 PolarHBondContact O-ND2 2.84Å; H96-N100 PolarHBondContact CE1-ND2 2.89Å; H96-N100 PolarHBondContact NE2-ND2 3.26Å; H96-N100 PolarHBondContact O-N 2.94Å; H96-N100 VanDerWaalsContact O-N 3.1Å; H96-N100 PolarHBondContact O-OD1 3.15Å; N100-N102 PolarHBondContact O-N 2.99Å; N100-S103 PolarHBondContact O-N 3Å; N100-S103 PolarHBondContact O-OG 3.2Å; N100-S103 VanDerWaalsContact O-OG 3.07Å
101N52.8Low53.7Low27 Ų2770.8 Ų70.814%0.14440%0.395CS..THydrogen-bonded Turntrans-65.2-12.5168.6-83.20.8000113.7S3 V99 F166S3-N101 WeakPolarHBondContact CB-OD1 3.44Å; S3-N101 PolarHBondContact OG-OD1 2.75Å; V99-N101 VanDerWaalsContact C-N 3.26Å; V99-N101 PolarHBondContact O-N 2.86Å; N101-F166 HydrophobicContact CB-CE2 3.91Å; N101-F166 HydrophobicContact CB-CZ 3.61Å; N101-F166 VanDerWaalsContact ND2-CE1 3.33Å; N101-F166 WeakPolarHBondContact ND2-CE1 3.41Å; N101-F166 WeakPolarHBondContact ND2-CZ 3.32Å
102N45Very low51.5Low75 Ų7571.9 Ų71.940%0.40141%0.409SS..THydrogen-bonded Turntrans-97.3-12.9177.8-9418.5000114.4V99 N100 F163V99-N102 WeakPolarHBondContact O-CB 3.27Å; V99-N102 PolarHBondContact O-N 3.29Å; N100-N102 PolarHBondContact O-N 2.99Å; N102-F163 HydrophobicContact CB-CD1 4.31Å; N102-F163 VanDerWaalsContact ND2-CD1 3.28Å; N102-F163 WeakPolarHBondContact ND2-CD1 3.48Å
103S43.7Very low50.1Low94 Ų9472 Ų7266%0.65741%0.413SS*.THydrogen-bonded Turntrans-89.2-11.1-179.255.70000113.9N100N100-S103 PolarHBondContact O-N 3Å; N100-S103 PolarHBondContact O-OG 3.2Å; N100-S103 VanDerWaalsContact O-OG 3.07Å
104V38.3Very low48.9Very low73 Ų7374.6 Ų74.644%0.44243%0.426SS..SBendtrans-107.399.3-169.3-175.50000112.3
105V34.8Very low48.5Very low95 Ų9574.6 Ų74.658%0.57643%0.427SS*.  trans80.5121.6152.5179.50000118.3Y107V105-Y107 HydrophobicContact CG1-CD2 3.45Å; V105-Y107 VanDerWaalsContact CG1-CD2 3.45Å; V105-Y107 HydrophobicContact CG1-CE2 4.33Å; V105-Y107 HydrophobicContact CG1-CG 4.02Å; V105-Y107 PolarHBondContact O-N 3.03Å
106E31Very low48.8Very low199 Ų19974.9 Ų74.993%0.9342%0.422SS*.SBendtrans-75.234.5-178.2-159.5175.8-153.700114.5
107Y30.2Very low49.5Very low177 Ų17773 Ų7369%0.69441%0.414SS*.SBendtrans-122.6150.5-176.3-74.4-114.2000110.9V105 V109V105-Y107 HydrophobicContact CG1-CD2 3.45Å; V105-Y107 VanDerWaalsContact CG1-CD2 3.45Å; V105-Y107 HydrophobicContact CG1-CE2 4.33Å; V105-Y107 HydrophobicContact CG1-CG 4.02Å; V105-Y107 PolarHBondContact O-N 3.03Å; Y107-V109 PolarHBondContact O-N 3.38Å
108P27.4Very low50.4Low136 Ų13673 Ų7388%0.88341%0.414SS*.  trans-75.561.8174.733.9-36.7000111.4
109V32.3Very low51.8Low102 Ų10272.5 Ų72.562%0.61841%0.411SS*.  trans-67.1144169.3-174.10000108.4Y107Y107-V109 PolarHBondContact O-N 3.38Å
110T33.1Very low53.2Low93 Ų9369 Ų6957%0.57139%0.39SS*.  trans-57.7146.1-175.644.90000112.3S112T110-S112 PolarHBondContact O-N 2.79Å; T110-S112 PolarHBondContact O-OG 2.88Å; T110-S112 PolarHBondContact OG1-OG 3.3Å
111P33.4Very low54.8Low103 Ų10367.7 Ų67.767%0.66938%0.383SS*.SBendtrans-75.249.9-179.233.5-37.8000112.3
112S36.8Very low56.3Low83 Ų8366.5 Ų66.558%0.5838%0.377SS*.  trans-117.312.3-169.956.90000112.8T110 L114T110-S112 PolarHBondContact O-N 2.79Å; T110-S112 PolarHBondContact O-OG 2.88Å; T110-S112 PolarHBondContact OG1-OG 3.3Å; S112-L114 PolarHBondContact O-N 2.89Å
113T52.6Low57.7Low53 Ų5363.3 Ų63.333%0.32536%0.361SS..  trans-75.369.5174.337.50000111G115T113-G115 PolarHBondContact O-N 3.33Å
114L59.7Low59Low57 Ų5762 Ų6230%0.29835%0.345SS..  trans-53.297.2173.5-179.185.9000111.2A2 S112 Q169 K171A2-L114 WeakPolarHBondContact CB-O 3.47Å; S112-L114 PolarHBondContact O-N 2.89Å; L114-Q169 HydrophobicContact CD1-CB 4.08Å; L114-Q169 HydrophobicContact CD1-CG 3.81Å; L114-K171 HydrophobicContact CD1-CD 4.37Å; L114-K171 HydrophobicContact CD1-CG 4.15Å; L114-K171 HydrophobicContact CD2-CD 3.87Å; L114-K171 HydrophobicContact CD2-CG 4.42Å; L114-K171 HydrophobicContact CG-CD 4.37Å; L114-K171 HydrophobicContact CG-CG 4.4Å
115G68.8Low60.5Low2 Ų260.1 Ų60.12%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-65.8136.8177.900000111.8M97 T113 K171M97-G115 VanDerWaalsContact SD-C 3.52Å; M97-G115 VanDerWaalsContact SD-CA 3.55Å; T113-G115 PolarHBondContact O-N 3.33Å; G115-K171 PolarHBondContact O-N 2.8Å
116K81Confident61.7Low50 Ų5058.3 Ų58.322%0.21732%0.317CS..EExtended strand (participates in β ladder)trans-121.2114.5-179.7-167.7-168.8-172.5-167.70110.1S3 Q4 S5 A33 C118 K171 H173S3-K116 PolarHBondContact O-N 3.12Å; Q4-K116 VanDerWaalsContact CA-O 3.29Å; Q4-K116 WeakPolarHBondContact CA-O 3.46Å; S5-K116 PolarHBondContact N-O 3.3Å; A33-K116 PolarHBondContact O-NZ 2.62Å; K116-C118 WeakPolarHBondContact CE-SG 3.38Å; K116-K171 WeakPolarHBondContact CA-O 3.41Å; K116-H173 WeakPolarHBondContact CE-CE1 3.5Å; K116-H173 PolarHBondContact NZ-CE1 3Å
117V86.8Confident62.5Low0 Ų052.1 Ų52.10%031%0.307CS..EExtended strand (participates in β ladder)trans-98.7123.4163.2179.30000107.7S5 L90 A93 L94 M97 K171 L172 H173S5-V117 CarbonylContact O-C 3.45Å; S5-V117 WeakPolarHBondContact O-CA 3.48Å; L90-V117 HydrophobicContact CD1-CG1 4.47Å; A93-V117 HydrophobicContact CB-CG1 4Å; L94-V117 HydrophobicContact CD2-CG2 3.89Å; L94-V117 HydrophobicContact CG-CG2 4.3Å; M97-V117 HydrophobicContact CB-CG2 4.23Å; M97-V117 HydrophobicContact SD-CG2 3.85Å; V117-K171 PolarHBondContact N-O 3.06Å; V117-L172 HydrophobicContact CB-CD1 3.83Å; V117-L172 HydrophobicContact CG1-CD1 3.69Å; V117-L172 CarbonylContact O-C 3.4Å; V117-L172 WeakPolarHBondContact O-CA 3.47Å; V117-H173 PolarHBondContact O-N 3.08Å
118C89.5Confident63.4Low0 Ų047.9 Ų47.90%029%0.292CS..EExtended strand (participates in β ladder)trans-99.9138.8169.1-59.90000109.5S5 V6 L7 A33 K116 H173S5-C118 PolarHBondContact O-N 3.36Å; V6-C118 CarbonylContact C-O 3.56Å; V6-C118 WeakPolarHBondContact CA-O 3.32Å; V6-C118 HydrophobicContact CB-CB 4.43Å; V6-C118 HydrophobicContact CG1-CB 4.17Å; V6-C118 HydrophobicContact CG2-CB 4.06Å; L7-C118 PolarHBondContact N-O 3.39Å; A33-C118 HydrophobicContact CB-CB 3.97Å; A33-C118 PolarHBondContact O-SG 3.14Å; K116-C118 WeakPolarHBondContact CE-SG 3.38Å; C118-H173 CarbonylContact C-O 3.27Å; C118-H173 VanDerWaalsContact CA-O 3.24Å; C118-H173 WeakPolarHBondContact CA-O 3.29Å; C118-H173 PolarHBondContact SG-CE1 3.3Å
119M92.2Very high64.7Low0 Ų043.6 Ų43.60%026%0.263CS..EExtended strand (participates in β ladder)trans-118127.4167.2-63.8177.57500108.1L7 L86 L90 W132 L172 H173 I175L7-M119 HydrophobicContact CB-CG 4.45Å; L7-M119 HydrophobicContact CD2-CE 4.27Å; L7-M119 CarbonylContact O-C 3.53Å; L7-M119 WeakPolarHBondContact O-CA 3.37Å; L86-M119 HydrophobicContact CD1-CE 4.04Å; L90-M119 HydrophobicContact CD1-SD 3.87Å; L90-M119 HydrophobicContact CD2-SD 4.49Å; M119-W132 HydrophobicContact CB-CH2 4.31Å; M119-W132 HydrophobicContact CE-CH2 4.1Å; M119-W132 HydrophobicContact CE-CZ3 3.91Å; M119-L172 HydrophobicContact CG-CD1 4.07Å; M119-L172 HydrophobicContact SD-CD1 3.96Å; M119-H173 PolarHBondContact N-O 3.37Å; M119-I175 PolarHBondContact O-N 3Å
120V91.3Very high66.2Low1 Ų138.9 Ų38.91%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-121.1121.4179.2-1790000108.5V6 L7 V8 V9 L26 L30 A33 I175V6-V120 HydrophobicContact CG1-CG2 4.36Å; L7-V120 PolarHBondContact O-N 3.41Å; V8-V120 CarbonylContact C-O 3.56Å; V8-V120 WeakPolarHBondContact CA-O 3.22Å; V9-V120 PolarHBondContact N-O 3.4Å; L26-V120 HydrophobicContact CD1-CG1 4.08Å; L30-V120 HydrophobicContact CD2-CG2 4.42Å; A33-V120 HydrophobicContact CB-CG2 4.1Å; V120-I175 HydrophobicContact CG2-CB 4.45Å; V120-I175 HydrophobicContact CG2-CD1 4.21Å
121Y89.8Confident68.1Low1 Ų135.3 Ų35.30%0.00421%0.213CC..EExtended strand (participates in β ladder)trans-102.7128.2-179.3-177.7-103.6000113V9 G123 Q124 L125 W132 L133 I175 P177V9-Y121 HydrophobicContact CB-CD2 4Å; V9-Y121 HydrophobicContact CG1-CD2 3.84Å; V9-Y121 HydrophobicContact CG1-CE2 4.16Å; V9-Y121 WeakPolarHBondContact O-CA 3.41Å; V9-Y121 VanDerWaalsContact O-CD2 3.24Å; V9-Y121 WeakPolarHBondContact O-CD2 3.46Å; Y121-G123 VanDerWaalsContact CE1-C 3.5Å; Y121-G123 VanDerWaalsContact CE1-O 3.28Å; Y121-G123 WeakPolarHBondContact CE1-O 3.36Å; Y121-Q124 WeakPolarHBondContact CE1-O 3.32Å; Y121-Q124 PolarHBondContact OH-O 3.09Å; Y121-L125 HydrophobicContact CD1-CD2 3.87Å; Y121-L125 HydrophobicContact CE1-CD2 3.56Å; Y121-L125 HydrophobicContact CE1-CG 4.36Å; Y121-W132 VanDerWaalsContact CB-CZ2 3.47Å; Y121-W132 HydrophobicContact CD1-CB 4.4Å; Y121-W132 AromaticContact CD1-CD1 3.54Å; Y121-W132 HydrophobicContact CD1-CD2 4.09Å; Y121-W132 AromaticContact CD1-CG 3.76Å; Y121-W132 HydrophobicContact CD1-CG 3.76Å; Y121-W132 AromaticContact CD1-NE1 3.7Å; Y121-W132 HydrophobicContact CD2-CB 3.98Å; Y121-W132 AromaticContact CD2-CD2 3.38Å; Y121-W132 HydrophobicContact CD2-CD2 3.38Å; Y121-W132 AromaticContact CD2-CE2 3.97Å; Y121-W132 AromaticContact CD2-CE3 3.54Å; Y121-W132 HydrophobicContact CD2-CE3 3.54Å; Y121-W132 AromaticContact CD2-CG 3.58Å; Y121-W132 HydrophobicContact CD2-CG 3.58Å; Y121-W132 HydrophobicContact CD2-CZ3 4.23Å; Y121-W132 HydrophobicContact CE1-CB 4.03Å; Y121-W132 AromaticContact CE1-CD1 3.83Å; Y121-W132 AromaticContact CE1-CG 3.88Å; Y121-W132 HydrophobicContact CE1-CG 3.88Å; Y121-W132 HydrophobicContact CE2-CB 3.59Å; Y121-W132 AromaticContact CE2-CD2 3.99Å; Y121-W132 HydrophobicContact CE2-CD2 3.99Å; Y121-W132 HydrophobicContact CE2-CE3 4.21Å; Y121-W132 AromaticContact CE2-CG 3.73Å; Y121-W132 HydrophobicContact CE2-CG 3.73Å; Y121-W132 HydrophobicContact CG-CB 4.37Å; Y121-W132 AromaticContact CG-CD1 3.72Å; Y121-W132 AromaticContact CG-CD2 3.45Å; Y121-W132 HydrophobicContact CG-CD2 3.45Å; Y121-W132 VanDerWaalsContact CG-CD2 3.45Å; Y121-W132 AromaticContact CG-CE2 3.53Å; Y121-W132 AromaticContact CG-CE3 4Å; Y121-W132 HydrophobicContact CG-CE3 4Å; Y121-W132 AromaticContact CG-CG 3.6Å; Y121-W132 HydrophobicContact CG-CG 3.6Å; Y121-W132 HydrophobicContact CG-CZ2 4.17Å; Y121-W132 AromaticContact CG-NE1 3.63Å; Y121-W132 AromaticContact CZ-CG 3.87Å; Y121-L133 PolarHBondContact OH-N 3.01Å; Y121-L133 VanDerWaalsContact OH-N 3.09Å; Y121-L133 PolarHBondContact OH-O 3.12Å; Y121-I175 PolarHBondContact N-O 2.69Å; Y121-P177 HydrophobicContact CD1-CG 4.39Å
122N83.8Confident70.5Confident3 Ų330.4 Ų30.42%0.01618%0.181CC..  trans-129.687.6177.8-171.621.4000110.4V9 A10 G11 L22 L25 L26V9-N122 PolarHBondContact O-N 3.02Å; A10-N122 CarbonylContact C-O 3.33Å; A10-N122 WeakPolarHBondContact CA-O 3.38Å; G11-N122 PolarHBondContact N-O 2.74Å; L22-N122 WeakPolarHBondContact CA-OD1 3.33Å; L22-N122 VanDerWaalsContact CD2-OD1 3.24Å; L22-N122 WeakPolarHBondContact CD2-OD1 3.42Å; L22-N122 PolarHBondContact O-ND2 2.68Å; L22-N122 PolarHBondContact O-OD1 2.81Å; L25-N122 WeakPolarHBondContact CD2-OD1 3.34Å; L26-N122 HydrophobicContact CD1-CB 4.45Å
123G75.7Confident72.5Confident8 Ų827.6 Ų27.68%0.08216%0.159CC..SBendtrans-176.8-175.1-179.600000112.2R12 Y121R12-G123 WeakPolarHBondContact O-CA 3.33Å; Y121-G123 VanDerWaalsContact CE1-C 3.5Å; Y121-G123 VanDerWaalsContact CE1-O 3.28Å; Y121-G123 WeakPolarHBondContact CE1-O 3.36Å
124Q71.4Confident73.9Confident65 Ų6525 Ų2530%0.30414%0.143SC..  trans-63.5148.3176.8-71.1-169.1-20.600112.2R12 D14 Y121 L133R12-Q124 PolarHBondContact O-N 3.16Å; D14-Q124 PolarHBondContact OD2-NE2 2.84Å; Y121-Q124 WeakPolarHBondContact CE1-O 3.32Å; Y121-Q124 PolarHBondContact OH-O 3.09Å; Q124-L133 HydrophobicContact CB-CB 4.27Å; Q124-L133 HydrophobicContact CB-CD1 3.88Å; Q124-L133 HydrophobicContact CB-CG 4.35Å; Q124-L133 PolarHBondContact O-N 3.19Å
125L68.4Low74.7Confident34 Ų3426.7 Ų26.718%0.17815%0.149CC..BIsolated β-bridgetrans-116.5147.5171.6-65.8-177.2000110.8Y121 G127 D131 W132 P177 I178Y121-L125 HydrophobicContact CD1-CD2 3.87Å; Y121-L125 HydrophobicContact CE1-CD2 3.56Å; Y121-L125 HydrophobicContact CE1-CG 4.36Å; L125-G127 PolarHBondContact O-N 3.4Å; L125-G127 VanDerWaalsContact O-N 3.13Å; L125-D131 CarbonylContact C-O 3.54Å; L125-D131 VanDerWaalsContact CA-O 3.29Å; L125-D131 WeakPolarHBondContact CA-O 3.45Å; L125-D131 WeakPolarHBondContact CD2-O 3.37Å; L125-W132 VanDerWaalsContact CD2-CD1 3.41Å; L125-W132 HydrophobicContact CD2-CG 4.36Å; L125-P177 HydrophobicContact CD1-CB 3.68Å; L125-P177 HydrophobicContact CD1-CG 3.67Å; L125-P177 HydrophobicContact CD2-CG 4.44Å; L125-P177 HydrophobicContact CG-CG 4.08Å; L125-I178 HydrophobicContact CD1-CB 3.99Å; L125-I178 HydrophobicContact CD1-CD1 3.68Å; L125-I178 HydrophobicContact CD1-CG1 3.57Å
126H61Low75Confident58 Ų5829.6 Ų29.627%0.26917%0.165SC..  trans-69.9109.2167.2-16776.7000109.8F128 T129 G130 D131 L133H126-F128 AromaticContact NE2-CD2 3.99Å; H126-F128 PolarHBondContact O-N 3.43Å; H126-T129 PolarHBondContact CD2-OG1 3.48Å; H126-T129 PolarHBondContact O-N 3.08Å; H126-G130 PolarHBondContact O-N 3.06Å; H126-D131 HydrophobicContact CB-CB 4.16Å; H126-D131 PolarHBondContact N-O 3.01Å; H126-L133 HydrophobicContact CB-CD2 4.19Å
127G47Very low74.4Confident68 Ų6828.8 Ų28.870%0.70117%0.165SC*.THydrogen-bonded Turntrans-62-10.2-164.200000117.2L125L125-G127 PolarHBondContact O-N 3.4Å; L125-G127 VanDerWaalsContact O-N 3.13Å
128F49.9Very low73.7Confident89 Ų8931.3 Ų31.339%0.3918%0.183SC..THydrogen-bonded Turntrans-100.9-19.9175.9-66.8-66.2000114.9H126 A262 P315H126-F128 AromaticContact NE2-CD2 3.99Å; H126-F128 PolarHBondContact O-N 3.43Å; F128-A262 HydrophobicContact CE2-CB 3.85Å; F128-A262 HydrophobicContact CZ-CB 4.17Å; F128-P315 HydrophobicContact CB-CB 3.96Å; F128-P315 HydrophobicContact CD1-CB 3.84Å; F128-P315 HydrophobicContact CD1-CG 3.89Å; F128-P315 HydrophobicContact CD2-CB 4.46Å; F128-P315 HydrophobicContact CE1-CB 4.46Å; F128-P315 HydrophobicContact CE1-CG 4Å; F128-P315 HydrophobicContact CG-CB 3.85Å; F128-P315 HydrophobicContact CG-CG 4.21Å; F128-P315 HydrophobicContact CZ-CG 4.41Å
129T54.8Low73.1Confident46 Ų4631.3 Ų31.328%0.28218%0.183SC..THydrogen-bonded Turntrans-123.8-24-170.754.10000113.7H126 D131 T183 C184H126-T129 PolarHBondContact CD2-OG1 3.48Å; H126-T129 PolarHBondContact O-N 3.08Å; T129-D131 VanDerWaalsContact C-N 3.3Å; T129-D131 VanDerWaalsContact CB-OD2 3.27Å; T129-D131 WeakPolarHBondContact CB-OD2 3.44Å; T129-D131 PolarHBondContact OG1-N 2.98Å; T129-D131 PolarHBondContact OG1-OD2 2.93Å; T129-T183 CarbonylContact O-C 3.51Å; T129-T183 VanDerWaalsContact O-CA 3.24Å; T129-T183 WeakPolarHBondContact O-CA 3.14Å; T129-C184 PolarHBondContact O-N 2.93Å
130G63.1Low72.4Confident2 Ų231.9 Ų31.92%0.02119%0.187CC..  trans76.314.7-170.800000114H126 W185H126-G130 PolarHBondContact O-N 3.06Å; G130-W185 PolarHBondContact O-NE1 3.46Å
131D73.3Confident71.6Confident19 Ų1931.9 Ų31.910%0.10219%0.187CC..  trans-64.2143.5171.2-55-43.7000110.5L125 H126 T129 S140 C184L125-D131 CarbonylContact C-O 3.54Å; L125-D131 VanDerWaalsContact CA-O 3.29Å; L125-D131 WeakPolarHBondContact CA-O 3.45Å; L125-D131 WeakPolarHBondContact CD2-O 3.37Å; H126-D131 HydrophobicContact CB-CB 4.16Å; H126-D131 PolarHBondContact N-O 3.01Å; T129-D131 VanDerWaalsContact C-N 3.3Å; T129-D131 VanDerWaalsContact CB-OD2 3.27Å; T129-D131 WeakPolarHBondContact CB-OD2 3.44Å; T129-D131 PolarHBondContact OG1-N 2.98Å; T129-D131 PolarHBondContact OG1-OD2 2.93Å; D131-S140 WeakPolarHBondContact OD1-CA 3.29Å; D131-S140 WeakPolarHBondContact OD1-CB 3.44Å; D131-C184 WeakPolarHBondContact OD1-CB 3.41Å; D131-C184 PolarHBondContact OD1-SG 2.93Å
132W84.2Confident70.7Confident0 Ų036.4 Ų36.40%021%0.211CC..EExtended strand (participates in β ladder)trans-75.4139.4172.7-62.9-3.4000110V9 L86 M119 Y121 L125 S138 F139 I174 T176 W185V9-W132 HydrophobicContact CB-CZ3 4.39Å; V9-W132 HydrophobicContact CG1-CE3 4.38Å; V9-W132 HydrophobicContact CG1-CZ3 4.48Å; V9-W132 HydrophobicContact CG2-CZ3 4.25Å; L86-W132 HydrophobicContact CD2-CE3 4.49Å; M119-W132 HydrophobicContact CB-CH2 4.31Å; M119-W132 HydrophobicContact CE-CH2 4.1Å; M119-W132 HydrophobicContact CE-CZ3 3.91Å; Y121-W132 VanDerWaalsContact CB-CZ2 3.47Å; Y121-W132 HydrophobicContact CD1-CB 4.4Å; Y121-W132 AromaticContact CD1-CD1 3.54Å; Y121-W132 HydrophobicContact CD1-CD2 4.09Å; Y121-W132 AromaticContact CD1-CG 3.76Å; Y121-W132 HydrophobicContact CD1-CG 3.76Å; Y121-W132 AromaticContact CD1-NE1 3.7Å; Y121-W132 HydrophobicContact CD2-CB 3.98Å; Y121-W132 AromaticContact CD2-CD2 3.38Å; Y121-W132 HydrophobicContact CD2-CD2 3.38Å; Y121-W132 AromaticContact CD2-CE2 3.97Å; Y121-W132 AromaticContact CD2-CE3 3.54Å; Y121-W132 HydrophobicContact CD2-CE3 3.54Å; Y121-W132 AromaticContact CD2-CG 3.58Å; Y121-W132 HydrophobicContact CD2-CG 3.58Å; Y121-W132 HydrophobicContact CD2-CZ3 4.23Å; Y121-W132 HydrophobicContact CE1-CB 4.03Å; Y121-W132 AromaticContact CE1-CD1 3.83Å; Y121-W132 AromaticContact CE1-CG 3.88Å; Y121-W132 HydrophobicContact CE1-CG 3.88Å; Y121-W132 HydrophobicContact CE2-CB 3.59Å; Y121-W132 AromaticContact CE2-CD2 3.99Å; Y121-W132 HydrophobicContact CE2-CD2 3.99Å; Y121-W132 HydrophobicContact CE2-CE3 4.21Å; Y121-W132 AromaticContact CE2-CG 3.73Å; Y121-W132 HydrophobicContact CE2-CG 3.73Å; Y121-W132 HydrophobicContact CG-CB 4.37Å; Y121-W132 AromaticContact CG-CD1 3.72Å; Y121-W132 AromaticContact CG-CD2 3.45Å; Y121-W132 HydrophobicContact CG-CD2 3.45Å; Y121-W132 VanDerWaalsContact CG-CD2 3.45Å; Y121-W132 AromaticContact CG-CE2 3.53Å; Y121-W132 AromaticContact CG-CE3 4Å; Y121-W132 HydrophobicContact CG-CE3 4Å; Y121-W132 AromaticContact CG-CG 3.6Å; Y121-W132 HydrophobicContact CG-CG 3.6Å; Y121-W132 HydrophobicContact CG-CZ2 4.17Å; Y121-W132 AromaticContact CG-NE1 3.63Å; Y121-W132 AromaticContact CZ-CG 3.87Å; L125-W132 VanDerWaalsContact CD2-CD1 3.41Å; L125-W132 HydrophobicContact CD2-CG 4.36Å; W132-S138 CarbonylContact O-C 3.51Å; W132-S138 VanDerWaalsContact O-CA 3.29Å; W132-S138 WeakPolarHBondContact O-CA 3.26Å; W132-F139 HydrophobicContact CB-CB 4.3Å; W132-F139 HydrophobicContact CD2-CD1 4.33Å; W132-F139 AromaticContact CE3-CD1 3.78Å; W132-F139 HydrophobicContact CE3-CD1 3.78Å; W132-F139 HydrophobicContact CE3-CE1 4.29Å; W132-F139 HydrophobicContact CZ3-CD1 4.27Å; W132-F139 HydrophobicContact CZ3-CE1 4.33Å; W132-F139 PolarHBondContact N-O 3.32Å; W132-F139 PolarHBondContact O-N 2.81Å; W132-I174 HydrophobicContact CH2-CG2 3.96Å; W132-I174 HydrophobicContact CZ2-CG2 3.7Å; W132-T176 PolarHBondContact NE1-OG1 2.83Å; W132-W185 AromaticContact CD1-CZ2 3.51Å; W132-W185 AromaticContact CD2-CH2 3.84Å; W132-W185 HydrophobicContact CD2-CH2 3.84Å; W132-W185 AromaticContact CD2-CZ2 3.71Å; W132-W185 HydrophobicContact CD2-CZ2 3.71Å; W132-W185 AromaticContact CE2-CH2 3.52Å; W132-W185 AromaticContact CE2-CZ2 3.31Å; W132-W185 HydrophobicContact CE3-CH2 4.21Å; W132-W185 HydrophobicContact CG-CH2 4.39Å; W132-W185 AromaticContact CG-CZ2 3.83Å; W132-W185 HydrophobicContact CG-CZ2 3.83Å; W132-W185 HydrophobicContact CH2-CH2 4.02Å; W132-W185 AromaticContact CZ2-CH2 3.62Å; W132-W185 HydrophobicContact CZ2-CH2 3.62Å; W132-W185 AromaticContact CZ2-CZ2 3.83Å; W132-W185 HydrophobicContact CZ2-CZ2 3.83Å; W132-W185 HydrophobicContact CZ2-CZ3 4.24Å; W132-W185 HydrophobicContact CZ3-CH2 4.3Å; W132-W185 AromaticContact NE1-CE2 3.75Å; W132-W185 AromaticContact NE1-CH2 3.94Å; W132-W185 AromaticContact NE1-CZ2 3.21Å
133L78Confident70.5Confident23 Ų2338.4 Ų38.412%0.1222%0.222CC..EExtended strand (participates in β ladder)trans-96.5109.6175.2-61.5-173.1000110.5R12 Y121 Q124 H126R12-L133 HydrophobicContact CB-CB 4.4Å; R12-L133 PolarHBondContact N-O 3.16Å; Y121-L133 PolarHBondContact OH-N 3.01Å; Y121-L133 VanDerWaalsContact OH-N 3.09Å; Y121-L133 PolarHBondContact OH-O 3.12Å; Q124-L133 HydrophobicContact CB-CB 4.27Å; Q124-L133 HydrophobicContact CB-CD1 3.88Å; Q124-L133 HydrophobicContact CB-CG 4.35Å; Q124-L133 PolarHBondContact O-N 3.19Å; H126-L133 HydrophobicContact CB-CD2 4.19Å
134L81.5Confident70.8Confident0 Ų038 Ų380%022%0.218CC..  trans-96.1178.5179.7-60.8-169.6000111.3V9 R12 P81 L86 D136 S137 F139V9-L134 HydrophobicContact CG1-CD2 4.24Å; R12-L134 WeakPolarHBondContact CD-O 3.36Å; R12-L134 WeakPolarHBondContact CG-O 3.47Å; R12-L134 PolarHBondContact NE-O 2.77Å; P81-L134 HydrophobicContact CG-CD2 4.48Å; P81-L134 WeakPolarHBondContact O-CB 3.28Å; L86-L134 HydrophobicContact CB-CD1 4.31Å; L86-L134 HydrophobicContact CD2-CD1 3.72Å; L86-L134 HydrophobicContact CD2-CD2 4.4Å; L134-D136 PolarHBondContact O-N 2.89Å; L134-S137 WeakPolarHBondContact CB-O 3.22Å; L134-S137 PolarHBondContact N-O 3.21Å; L134-F139 HydrophobicContact CD1-CB 3.63Å; L134-F139 HydrophobicContact CD1-CG 4.24Å; L134-F139 HydrophobicContact CG-CB 3.92Å
135Q77.5Confident71.1Confident91 Ų9136.4 Ų36.443%0.42521%0.211SC..SBendtrans-60.8-31.7-178.7-162.9-178.427.200113R12 N80 P81 T82R12-Q135 PolarHBondContact NH2-O 3.2Å; N80-Q135 WeakPolarHBondContact O-CB 3.12Å; N80-Q135 WeakPolarHBondContact OD1-CA 3.32Å; N80-Q135 PolarHBondContact OD1-N 2.61Å; P81-Q135 WeakPolarHBondContact O-CB 3.43Å; P81-Q135 PolarHBondContact O-N 3.05Å; T82-Q135 HydrophobicContact CG2-CB 4.17Å; T82-Q135 VanDerWaalsContact CG2-OE1 3.24Å
136D74.3Confident71.3Confident64 Ų6440.6 Ų40.634%0.34223%0.233SC..SBendtrans-115.8-30.3-170.960.4-13.1000114.4T82 S83 L134T82-D136 WeakPolarHBondContact CB-OD2 3.38Å; T82-D136 HydrophobicContact CG2-CB 4.37Å; S83-D136 WeakPolarHBondContact CB-OD2 3.5Å; S83-D136 VanDerWaalsContact N-CG 3.27Å; S83-D136 PolarHBondContact N-OD1 3.32Å; S83-D136 PolarHBondContact N-OD2 2.83Å; L134-D136 PolarHBondContact O-N 2.89Å
137S69.2Low72.1Confident32 Ų3240 Ų4022%0.22423%0.228CC..SBendtrans-149.6174.2-167.565.80000112.9L134L134-S137 WeakPolarHBondContact CB-O 3.22Å; L134-S137 PolarHBondContact N-O 3.21Å
138S72Confident73.4Confident54 Ų5436.9 Ų36.938%0.37820%0.196SC..EExtended strand (participates in β ladder)trans-87.8139.1156.762.50000110.4W132 N143W132-S138 CarbonylContact O-C 3.51Å; W132-S138 VanDerWaalsContact O-CA 3.29Å; W132-S138 WeakPolarHBondContact O-CA 3.26Å; S138-N143 PolarHBondContact O-ND2 3.26Å
139F77Confident74.2Confident0 Ų036.9 Ų36.90%020%0.2CC..EExtended strand (participates in β ladder)trans-110.3111.4176.8-177.1-102.1000110.8L86 W132 L134 N143 L144 W147 W185L86-F139 HydrophobicContact CD2-CB 4.49Å; L86-F139 HydrophobicContact CD2-CD1 3.72Å; L86-F139 HydrophobicContact CD2-CD2 4.07Å; L86-F139 HydrophobicContact CD2-CE1 3.85Å; L86-F139 HydrophobicContact CD2-CE2 4.22Å; L86-F139 HydrophobicContact CD2-CG 3.82Å; L86-F139 HydrophobicContact CD2-CZ 4.09Å; W132-F139 HydrophobicContact CB-CB 4.3Å; W132-F139 HydrophobicContact CD2-CD1 4.33Å; W132-F139 AromaticContact CE3-CD1 3.78Å; W132-F139 HydrophobicContact CE3-CD1 3.78Å; W132-F139 HydrophobicContact CE3-CE1 4.29Å; W132-F139 HydrophobicContact CZ3-CD1 4.27Å; W132-F139 HydrophobicContact CZ3-CE1 4.33Å; W132-F139 PolarHBondContact N-O 3.32Å; W132-F139 PolarHBondContact O-N 2.81Å; L134-F139 HydrophobicContact CD1-CB 3.63Å; L134-F139 HydrophobicContact CD1-CG 4.24Å; L134-F139 HydrophobicContact CG-CB 3.92Å; F139-N143 HydrophobicContact CD2-CB 3.65Å; F139-N143 HydrophobicContact CE2-CB 3.54Å; F139-N143 HydrophobicContact CZ-CB 4.4Å; F139-L144 HydrophobicContact CE1-CB 4.22Å; F139-L144 HydrophobicContact CZ-CB 3.72Å; F139-L144 HydrophobicContact CZ-CD1 4.32Å; F139-W147 AromaticContact CD2-CH2 3.71Å; F139-W147 HydrophobicContact CD2-CH2 3.71Å; F139-W147 HydrophobicContact CD2-CZ2 4.13Å; F139-W147 HydrophobicContact CD2-CZ3 4.13Å; F139-W147 HydrophobicContact CE2-CD2 4.13Å; F139-W147 AromaticContact CE2-CE3 3.7Å; F139-W147 HydrophobicContact CE2-CE3 3.7Å; F139-W147 AromaticContact CE2-CH2 3.26Å; F139-W147 HydrophobicContact CE2-CH2 3.26Å; F139-W147 AromaticContact CE2-CZ2 3.75Å; F139-W147 HydrophobicContact CE2-CZ2 3.75Å; F139-W147 AromaticContact CE2-CZ3 3.25Å; F139-W147 HydrophobicContact CE2-CZ3 3.25Å; F139-W147 HydrophobicContact CZ-CE3 4.02Å; F139-W147 HydrophobicContact CZ-CH2 4.15Å; F139-W147 AromaticContact CZ-CZ3 3.69Å; F139-W147 HydrophobicContact CZ-CZ3 3.69Å; F139-W185 AromaticContact CD1-CH2 3.93Å; F139-W185 HydrophobicContact CD1-CH2 3.93Å; F139-W185 AromaticContact CE1-CH2 3.87Å; F139-W185 HydrophobicContact CE1-CH2 3.87Å; F139-W185 HydrophobicContact CE1-CZ3 4.44Å
140S77.6Confident74.7Confident12 Ų1235.9 Ų35.98%0.08420%0.195CC..  trans-97.5161.1-178.784.90000112.2D131 N142 N143 L144D131-S140 WeakPolarHBondContact OD1-CA 3.29Å; D131-S140 WeakPolarHBondContact OD1-CB 3.44Å; S140-N142 PolarHBondContact O-N 2.85Å; S140-N142 WeakPolarHBondContact OG-CB 3.46Å; S140-N142 PolarHBondContact OG-N 3.48Å; S140-N142 VanDerWaalsContact OG-N 3.12Å; S140-N143 PolarHBondContact N-ND2 2.99Å; S140-N143 WeakPolarHBondContact O-CB 3.45Å; S140-N143 PolarHBondContact O-N 2.77Å; S140-N143 PolarHBondContact OG-N 3.49Å; S140-N143 VanDerWaalsContact OG-N 3.08Å; S140-N143 PolarHBondContact OG-OD1 2.8Å; S140-L144 PolarHBondContact O-N 2.77Å
141G74.8Confident74.7Confident0 Ų044.1 Ų44.10%023%0.233CC..Hα-helixtrans-60.7-23.9168.800000114.2L145 C184G141-L145 PolarHBondContact O-N 3.04Å; G141-L145 VanDerWaalsContact O-N 3.12Å; G141-C184 VanDerWaalsContact CA-O 3.31Å; G141-C184 WeakPolarHBondContact CA-O 3.5Å; G141-C184 PolarHBondContact N-SG 2.97Å; G141-C184 VanDerWaalsContact N-SG 3.41Å
142N71Confident74Confident96 Ų9648.7 Ų48.751%0.51325%0.253SS..Hα-helixtrans-70.5-36.8170.4-70.2-36.7000111.7S140 L144 L145 L146S140-N142 PolarHBondContact O-N 2.85Å; S140-N142 WeakPolarHBondContact OG-CB 3.46Å; S140-N142 PolarHBondContact OG-N 3.48Å; S140-N142 VanDerWaalsContact OG-N 3.12Å; N142-L144 VanDerWaalsContact C-N 3.3Å; N142-L144 PolarHBondContact O-N 2.88Å; N142-L145 PolarHBondContact O-N 2.81Å; N142-L146 WeakPolarHBondContact O-CB 3.27Å; N142-L146 VanDerWaalsContact O-CG 3.28Å; N142-L146 WeakPolarHBondContact O-CG 3.48Å; N142-L146 PolarHBondContact O-N 3.34Å
143N78.9Confident73Confident46 Ų4648.7 Ų48.725%0.24625%0.254CS..Hα-helixtrans-60.9-44.2176.8-57.916.5000109.6S138 F139 S140 L146 W147S138-N143 PolarHBondContact O-ND2 3.26Å; F139-N143 HydrophobicContact CD2-CB 3.65Å; F139-N143 HydrophobicContact CE2-CB 3.54Å; F139-N143 HydrophobicContact CZ-CB 4.4Å; S140-N143 PolarHBondContact N-ND2 2.99Å; S140-N143 WeakPolarHBondContact O-CB 3.45Å; S140-N143 PolarHBondContact O-N 2.77Å; S140-N143 PolarHBondContact OG-N 3.49Å; S140-N143 VanDerWaalsContact OG-N 3.08Å; S140-N143 PolarHBondContact OG-OD1 2.8Å; N143-L146 PolarHBondContact O-N 3.26Å; N143-W147 VanDerWaalsContact O-CG 3.28Å; N143-W147 PolarHBondContact O-N 3.12Å
144L82.8Confident72.1Confident0 Ų050.7 Ų50.70%026%0.263CS..Hα-helixtrans-61.3-46.4174.8-178.862000112.9L90 F139 S140 N142 L146 W147 L148 L172 I174 W185L90-L144 HydrophobicContact CD2-CD1 3.43Å; L90-L144 VanDerWaalsContact CD2-CD1 3.43Å; F139-L144 HydrophobicContact CE1-CB 4.22Å; F139-L144 HydrophobicContact CZ-CB 3.72Å; F139-L144 HydrophobicContact CZ-CD1 4.32Å; S140-L144 PolarHBondContact O-N 2.77Å; N142-L144 VanDerWaalsContact C-N 3.3Å; N142-L144 PolarHBondContact O-N 2.88Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L144-L146 PolarHBondContact O-N 2.91Å; L144-W147 PolarHBondContact O-N 2.82Å; L144-L148 HydrophobicContact CD1-CD1 4.08Å; L144-L148 HydrophobicContact CD1-CG 4.23Å; L144-L148 HydrophobicContact CG-CD1 4.05Å; L144-L148 WeakPolarHBondContact O-CG 3.16Å; L144-L148 PolarHBondContact O-N 3.46Å; L144-L172 HydrophobicContact CD1-CD2 4.35Å; L144-L172 HydrophobicContact CD2-CD2 4.02Å; L144-I174 HydrophobicContact CD2-CD1 3.22Å; L144-I174 HydrophobicContact CD2-CG1 4.35Å; L144-W185 HydrophobicContact CD2-CZ3 4.27Å
145L76Confident70.9Confident31 Ų3154.3 Ų54.316%0.16229%0.289CS..Hα-helixtrans-60.3-43.4175.6-75.9-176.6000111.5G141 N142 L148 N149 P186 V196 I209G141-L145 PolarHBondContact O-N 3.04Å; G141-L145 VanDerWaalsContact O-N 3.12Å; N142-L145 PolarHBondContact O-N 2.81Å; L145-L148 PolarHBondContact O-N 3.28Å; L145-N149 WeakPolarHBondContact O-CB 3.49Å; L145-N149 PolarHBondContact O-N 2.82Å; L145-N149 VanDerWaalsContact O-N 3.11Å; L145-N149 PolarHBondContact O-ND2 2.89Å; L145-P186 HydrophobicContact CD1-CB 3.85Å; L145-P186 HydrophobicContact CD2-CB 4.14Å; L145-P186 HydrophobicContact CD2-CG 4.27Å; L145-P186 HydrophobicContact CG-CB 4.05Å; L145-P186 HydrophobicContact CG-CG 4.2Å; L145-V196 HydrophobicContact CD2-CG2 3.6Å; L145-I209 HydrophobicContact CD2-CD1 3.7Å
146L72.8Confident70Confident121 Ų12152 Ų5263%0.63428%0.276SS*.Hα-helixtrans-63.1-41.9177.5-73.4168.8000111.4N142 N143 L144 N149 S150N142-L146 WeakPolarHBondContact O-CB 3.27Å; N142-L146 VanDerWaalsContact O-CG 3.28Å; N142-L146 WeakPolarHBondContact O-CG 3.48Å; N142-L146 PolarHBondContact O-N 3.34Å; N143-L146 PolarHBondContact O-N 3.26Å; L144-L146 VanDerWaalsContact C-N 3.33Å; L144-L146 PolarHBondContact O-N 2.91Å; L146-N149 CarbonylContact O-C 3.21Å; L146-N149 PolarHBondContact O-N 3.41Å; L146-S150 WeakPolarHBondContact O-CA 3.31Å; L146-S150 VanDerWaalsContact O-CB 3.32Å; L146-S150 WeakPolarHBondContact O-CB 3.05Å; L146-S150 PolarHBondContact O-N 2.7Å
147W77.5Confident69.4Low45 Ų4549 Ų4917%0.1726%0.26CS..Hα-helixtrans-62.8-50.3175.9-70.1-4.3000112.3S83 L86 R87 F139 N143 L144 N149 S150 A153S83-W147 WeakPolarHBondContact O-CH2 3.32Å; S83-W147 VanDerWaalsContact OG-CZ2 3.31Å; S83-W147 WeakPolarHBondContact OG-CZ2 3.18Å; L86-W147 HydrophobicContact CD2-CH2 4.49Å; L86-W147 HydrophobicContact CD2-CZ3 4.42Å; L86-W147 HydrophobicContact CG-CZ3 4.27Å; R87-W147 HydrophobicContact CB-CD2 4.48Å; R87-W147 HydrophobicContact CB-CE3 4.03Å; R87-W147 HydrophobicContact CB-CH2 3.83Å; R87-W147 HydrophobicContact CB-CZ2 4.27Å; R87-W147 HydrophobicContact CB-CZ3 3.68Å; R87-W147 HydrophobicContact CG-CD2 4.1Å; R87-W147 HydrophobicContact CG-CE3 3.91Å; R87-W147 HydrophobicContact CG-CH2 4.47Å; R87-W147 HydrophobicContact CG-CZ3 4.1Å; F139-W147 AromaticContact CD2-CH2 3.71Å; F139-W147 HydrophobicContact CD2-CH2 3.71Å; F139-W147 HydrophobicContact CD2-CZ2 4.13Å; F139-W147 HydrophobicContact CD2-CZ3 4.13Å; F139-W147 HydrophobicContact CE2-CD2 4.13Å; F139-W147 AromaticContact CE2-CE3 3.7Å; F139-W147 HydrophobicContact CE2-CE3 3.7Å; F139-W147 AromaticContact CE2-CH2 3.26Å; F139-W147 HydrophobicContact CE2-CH2 3.26Å; F139-W147 AromaticContact CE2-CZ2 3.75Å; F139-W147 HydrophobicContact CE2-CZ2 3.75Å; F139-W147 AromaticContact CE2-CZ3 3.25Å; F139-W147 HydrophobicContact CE2-CZ3 3.25Å; F139-W147 HydrophobicContact CZ-CE3 4.02Å; F139-W147 HydrophobicContact CZ-CH2 4.15Å; F139-W147 AromaticContact CZ-CZ3 3.69Å; F139-W147 HydrophobicContact CZ-CZ3 3.69Å; N143-W147 VanDerWaalsContact O-CG 3.28Å; N143-W147 PolarHBondContact O-N 3.12Å; L144-W147 PolarHBondContact O-N 2.82Å; W147-N149 PolarHBondContact O-N 2.76Å; W147-S150 WeakPolarHBondContact O-CB 3.27Å; W147-S150 PolarHBondContact O-N 2.64Å; W147-S150 VanDerWaalsContact O-N 3.08Å; W147-S150 PolarHBondContact O-OG 2.58Å; W147-A153 WeakPolarHBondContact O-CB 3.37Å
148L75.8Confident68.5Low4 Ų449.2 Ų49.22%0.02126%0.26CS..Hα-helixtrans-62.2-31.6-179-69.3170.4000112.9L94 L144 L145 W157 L172 I207 I209L94-L148 HydrophobicContact CD1-CD2 4.4Å; L144-L148 HydrophobicContact CD1-CD1 4.08Å; L144-L148 HydrophobicContact CD1-CG 4.23Å; L144-L148 HydrophobicContact CG-CD1 4.05Å; L144-L148 WeakPolarHBondContact O-CG 3.16Å; L144-L148 PolarHBondContact O-N 3.46Å; L145-L148 PolarHBondContact O-N 3.28Å; L148-W157 HydrophobicContact CD2-CZ2 4.14Å; L148-W157 PolarHBondContact O-NE1 3.14Å; L148-L172 HydrophobicContact CD1-CD2 4.03Å; L148-I207 HydrophobicContact CD2-CD1 4.35Å; L148-I209 HydrophobicContact CD1-CD1 3.66Å; L148-I209 HydrophobicContact CD1-CG1 4.43Å
149N67.2Low67.7Low88 Ų8852.4 Ų52.447%0.47127%0.269SS..Hα-helixtrans-91.1-4.3176.3-70.1-77.5000114.3L145 L146 W147 V196L145-N149 WeakPolarHBondContact O-CB 3.49Å; L145-N149 PolarHBondContact O-N 2.82Å; L145-N149 VanDerWaalsContact O-N 3.11Å; L145-N149 PolarHBondContact O-ND2 2.89Å; L146-N149 CarbonylContact O-C 3.21Å; L146-N149 PolarHBondContact O-N 3.41Å; W147-N149 PolarHBondContact O-N 2.76Å; N149-V196 WeakPolarHBondContact OD1-CG1 3.38Å
150S65Low66.5Low26 Ų2653.2 Ų53.218%0.18227%0.273CS..SBendtrans-66.6150.5-173.164.70000112.8L146 W147 E152 A153 M154L146-S150 WeakPolarHBondContact O-CA 3.31Å; L146-S150 VanDerWaalsContact O-CB 3.32Å; L146-S150 WeakPolarHBondContact O-CB 3.05Å; L146-S150 PolarHBondContact O-N 2.7Å; W147-S150 WeakPolarHBondContact O-CB 3.27Å; W147-S150 PolarHBondContact O-N 2.64Å; W147-S150 VanDerWaalsContact O-N 3.08Å; W147-S150 PolarHBondContact O-OG 2.58Å; S150-E152 PolarHBondContact O-N 2.94Å; S150-A153 PolarHBondContact O-N 3.34Å; S150-A153 VanDerWaalsContact O-N 3.09Å; S150-A153 WeakPolarHBondContact OG-CB 3.46Å; S150-A153 PolarHBondContact OG-N 3.23Å; S150-M154 WeakPolarHBondContact O-CG 3.09Å; S150-M154 PolarHBondContact O-N 2.94Å
151E61.9Low64.9Low175 Ų17558.2 Ų58.282%0.81829%0.294SS*.THydrogen-bonded Turntrans-60.4-30.5173.8-173.1168.4-167.300111.9M154 S155E151-M154 CarbonylContact O-C 3.59Å; E151-M154 VanDerWaalsContact O-C 3.27Å; E151-M154 WeakPolarHBondContact O-CA 3.46Å; E151-M154 WeakPolarHBondContact O-CB 3.46Å; E151-M154 PolarHBondContact O-N 2.87Å; E151-S155 PolarHBondContact O-N 3.36Å
152E59.5Low63.7Low114 Ų11466 Ų6653%0.53333%0.328SS..THydrogen-bonded Turntrans-66.1-43.3173.4-66.7177.2171.500112R87 S150 M154 S155 W156R87-E152 IonicContact CZ-OE2 2.69Å; R87-E152 IonicContact NH1-OE2 3.71Å; R87-E152 PolarHBondContact NH1-OE2 3.4Å; R87-E152 IonicContact NH2-OE2 2.74Å; R87-E152 PolarHBondContact NH2-OE2 2.96Å; S150-E152 PolarHBondContact O-N 2.94Å; E152-M154 VanDerWaalsContact C-N 3.31Å; E152-M154 PolarHBondContact O-N 3.34Å; E152-S155 WeakPolarHBondContact O-CB 2.91Å; E152-S155 PolarHBondContact O-N 2.79Å; E152-S155 PolarHBondContact O-OG 3.39Å; E152-W156 VanDerWaalsContact O-CD1 3.24Å; E152-W156 PolarHBondContact O-N 2.96Å
153A62.6Low62.7Low1 Ų163 Ų631%0.00831%0.31CS..Hα-helixtrans-61.7-42.3168.800000110.8W147 S150 S155 W156 W157W147-A153 WeakPolarHBondContact O-CB 3.37Å; S150-A153 PolarHBondContact O-N 3.34Å; S150-A153 VanDerWaalsContact O-N 3.09Å; S150-A153 WeakPolarHBondContact OG-CB 3.46Å; S150-A153 PolarHBondContact OG-N 3.23Å; A153-S155 PolarHBondContact O-N 2.79Å; A153-W156 HydrophobicContact CB-CZ2 3.89Å; A153-W156 PolarHBondContact O-N 3.39Å; A153-W157 WeakPolarHBondContact O-CB 3.4Å; A153-W157 PolarHBondContact O-N 3.11Å
154M60.2Low61.1Low65 Ų6564.5 Ų64.532%0.3232%0.324SS..Hα-helixtrans-64.9-6.2173.2-57.6-80.6-8100114.1S150 E151 E152 P158 T198 Q199S150-M154 WeakPolarHBondContact O-CG 3.09Å; S150-M154 PolarHBondContact O-N 2.94Å; E151-M154 CarbonylContact O-C 3.59Å; E151-M154 VanDerWaalsContact O-C 3.27Å; E151-M154 WeakPolarHBondContact O-CA 3.46Å; E151-M154 WeakPolarHBondContact O-CB 3.46Å; E151-M154 PolarHBondContact O-N 2.87Å; E152-M154 VanDerWaalsContact C-N 3.31Å; E152-M154 PolarHBondContact O-N 3.34Å; M154-P158 WeakPolarHBondContact O-CD 3.29Å; M154-P158 VanDerWaalsContact O-CG 3.25Å; M154-P158 WeakPolarHBondContact O-CG 3.32Å; M154-T198 HydrophobicContact SD-CG2 3.62Å; M154-Q199 HydrophobicContact CE-CB 3.84Å; M154-Q199 WeakPolarHBondContact CE-O 3.4Å
155S56Low59.6Low76 Ų7669.9 Ų69.953%0.53135%0.353SS..Hα-helixtrans-93.1-37.6172.184.20000112.9E151 E152 A153 P158E151-S155 PolarHBondContact O-N 3.36Å; E152-S155 WeakPolarHBondContact O-CB 2.91Å; E152-S155 PolarHBondContact O-N 2.79Å; E152-S155 PolarHBondContact O-OG 3.39Å; A153-S155 PolarHBondContact O-N 2.79Å; S155-P158 WeakPolarHBondContact O-CD 3.47Å
156W58Low58.4Low41 Ų4169.9 Ų69.916%0.15535%0.351CS..Hα-helixtrans-88.6-24.217357.4-109.3000113.9Q91 L94 E152 A153 P158 H159Q91-W156 HydrophobicContact CB-CZ2 4.38Å; Q91-W156 HydrophobicContact CG-CD2 4.07Å; Q91-W156 HydrophobicContact CG-CE3 4.39Å; Q91-W156 HydrophobicContact CG-CG 4.5Å; Q91-W156 HydrophobicContact CG-CH2 4.49Å; Q91-W156 HydrophobicContact CG-CZ2 4.14Å; Q91-W156 VanDerWaalsContact OE1-NE1 3.09Å; L94-W156 HydrophobicContact CD1-CH2 3.86Å; L94-W156 HydrophobicContact CD1-CZ3 4.42Å; E152-W156 VanDerWaalsContact O-CD1 3.24Å; E152-W156 PolarHBondContact O-N 2.96Å; A153-W156 HydrophobicContact CB-CZ2 3.89Å; A153-W156 PolarHBondContact O-N 3.39Å; W156-P158 VanDerWaalsContact C-N 3.31Å; W156-H159 VanDerWaalsContact O-CB 3.28Å; W156-H159 WeakPolarHBondContact O-CB 3.28Å; W156-H159 PolarHBondContact O-CD2 2.98Å; W156-H159 PolarHBondContact O-N 2.93Å
157W62.8Low57.4Low1 Ų164.8 Ų64.80%0.00433%0.329CS..G310 helixtrans-50.2-43.2168.9-80140.2000112.2L94 L148 A153 H159 L160 T198 I200 I207L94-W157 HydrophobicContact CD1-CH2 4.04Å; L148-W157 HydrophobicContact CD2-CZ2 4.14Å; L148-W157 PolarHBondContact O-NE1 3.14Å; A153-W157 WeakPolarHBondContact O-CB 3.4Å; A153-W157 PolarHBondContact O-N 3.11Å; W157-H159 PolarHBondContact O-N 2.93Å; W157-L160 HydrophobicContact CE3-CD1 3.54Å; W157-L160 HydrophobicContact CE3-CG 4.47Å; W157-L160 HydrophobicContact CZ3-CD1 3.96Å; W157-L160 WeakPolarHBondContact O-CB 3.41Å; W157-L160 PolarHBondContact O-N 2.96Å; W157-T198 HydrophobicContact CG-CG2 4.42Å; W157-T198 VanDerWaalsContact NE1-CG2 3.27Å; W157-I200 HydrophobicContact CB-CG1 3.75Å; W157-I200 HydrophobicContact CD2-CD1 4.47Å; W157-I200 HydrophobicContact CD2-CG1 4.3Å; W157-I200 HydrophobicContact CE3-CD1 4.32Å; W157-I200 HydrophobicContact CE3-CG1 4.4Å; W157-I200 HydrophobicContact CG-CG1 4.04Å; W157-I207 HydrophobicContact CH2-CD1 3.58Å; W157-I207 HydrophobicContact CZ2-CD1 3.43Å; W157-I207 VanDerWaalsContact CZ2-CD1 3.43Å
158P49.8Very low56.4Low37 Ų3768.1 Ų68.124%0.2435%0.35CS..G310 helixtrans-50.4-19.2168-33.635.2000117.4M154 S155 W156 L160 K161M154-P158 WeakPolarHBondContact O-CD 3.29Å; M154-P158 VanDerWaalsContact O-CG 3.25Å; M154-P158 WeakPolarHBondContact O-CG 3.32Å; S155-P158 WeakPolarHBondContact O-CD 3.47Å; W156-P158 VanDerWaalsContact C-N 3.31Å; P158-L160 PolarHBondContact O-N 2.88Å; P158-K161 WeakPolarHBondContact O-CB 3.37Å; P158-K161 WeakPolarHBondContact O-CD 3.34Å; P158-K161 WeakPolarHBondContact O-CG 3.37Å; P158-K161 PolarHBondContact O-N 2.85Å; P158-K161 VanDerWaalsContact O-N 3.08Å
159H54.1Low55.9Low121 Ų12171.4 Ų71.456%0.5637%0.365SS*.G310 helixtrans-68.7-22.1171.2-61-44.8000112.5W156 W157 K161 K162 F163W156-H159 VanDerWaalsContact O-CB 3.28Å; W156-H159 WeakPolarHBondContact O-CB 3.28Å; W156-H159 PolarHBondContact O-CD2 2.98Å; W156-H159 PolarHBondContact O-N 2.93Å; W157-H159 PolarHBondContact O-N 2.93Å; H159-K161 PolarHBondContact O-N 3.22Å; H159-K162 PolarHBondContact O-N 3.23Å; H159-K162 VanDerWaalsContact O-N 3.13Å; H159-F163 WeakPolarHBondContact O-CD2 3.41Å; H159-F163 WeakPolarHBondContact O-CE2 3.41Å
160L52.7Low56.3Low17 Ų1767.4 Ų67.49%0.08934%0.343CS..G310 helixtrans-55.7-18.5165.5-78.8167.6000113.4I98 W157 P158 K162 F163 F166 I200I98-L160 HydrophobicContact CB-CD2 4.35Å; I98-L160 HydrophobicContact CD1-CD1 4.49Å; I98-L160 HydrophobicContact CD1-CD2 3.51Å; I98-L160 HydrophobicContact CD1-CG 3.99Å; I98-L160 HydrophobicContact CG1-CD2 3.6Å; I98-L160 HydrophobicContact CG2-CD2 3.78Å; W157-L160 HydrophobicContact CE3-CD1 3.54Å; W157-L160 HydrophobicContact CE3-CG 4.47Å; W157-L160 HydrophobicContact CZ3-CD1 3.96Å; W157-L160 WeakPolarHBondContact O-CB 3.41Å; W157-L160 PolarHBondContact O-N 2.96Å; P158-L160 PolarHBondContact O-N 2.88Å; L160-K162 PolarHBondContact O-N 3.2Å; L160-K162 VanDerWaalsContact O-N 3.12Å; L160-F163 WeakPolarHBondContact O-CA 3.29Å; L160-F163 PolarHBondContact O-N 3.34Å; L160-F166 HydrophobicContact CD2-CD2 4.39Å; L160-F166 HydrophobicContact CD2-CG 4.45Å; L160-I200 HydrophobicContact CB-CG2 3.71Å; L160-I200 HydrophobicContact CD1-CD1 3.5Å; L160-I200 VanDerWaalsContact CD1-CD1 3.5Å; L160-I200 HydrophobicContact CD1-CG1 3.75Å; L160-I200 HydrophobicContact CD1-CG2 4.05Å
161K43.8Very low57Low117 Ų11770 Ų7051%0.50935%0.352SS..G310 helixtrans-56.2-26.6173.7-71.6174178.4-178.30113.3P158 H159 F163 N201P158-K161 WeakPolarHBondContact O-CB 3.37Å; P158-K161 WeakPolarHBondContact O-CD 3.34Å; P158-K161 WeakPolarHBondContact O-CG 3.37Å; P158-K161 PolarHBondContact O-N 2.85Å; P158-K161 VanDerWaalsContact O-N 3.08Å; H159-K161 PolarHBondContact O-N 3.22Å; K161-F163 VanDerWaalsContact C-N 3.26Å; K161-F163 PolarHBondContact O-N 3.17Å; K161-N201 WeakPolarHBondContact CE-OD1 3.46Å; K161-N201 PolarHBondContact NZ-OD1 3.34Å
162K49.1Very low58.2Low165 Ų16561.8 Ų61.872%0.71731%0.313SS*.G310 helixtrans-74.1-16.1174.9-65.5-176.6177-177.60113H159 L160H159-K162 PolarHBondContact O-N 3.23Å; H159-K162 VanDerWaalsContact O-N 3.13Å; L160-K162 PolarHBondContact O-N 3.2Å; L160-K162 VanDerWaalsContact O-N 3.12Å
163F50.1Low59.5Low33 Ų3356.9 Ų56.915%0.14529%0.29CS..  trans-113.566.8-169.8-53.6-91000109.7I98 V99 N102 H159 L160 K161 N165 F166I98-F163 HydrophobicContact CG2-CB 4.19Å; I98-F163 HydrophobicContact CG2-CD1 3.67Å; I98-F163 HydrophobicContact CG2-CD2 3.45Å; I98-F163 VanDerWaalsContact CG2-CD2 3.45Å; I98-F163 HydrophobicContact CG2-CE1 3.88Å; I98-F163 HydrophobicContact CG2-CE2 3.62Å; I98-F163 HydrophobicContact CG2-CG 3.47Å; I98-F163 VanDerWaalsContact CG2-CG 3.47Å; I98-F163 HydrophobicContact CG2-CZ 3.85Å; I98-F163 VanDerWaalsContact O-CD1 3.31Å; I98-F163 WeakPolarHBondContact O-CD1 3.43Å; V99-F163 HydrophobicContact CB-CE1 4.4Å; V99-F163 HydrophobicContact CG2-CE1 3.93Å; V99-F163 HydrophobicContact CG2-CZ 3.82Å; N102-F163 HydrophobicContact CB-CD1 4.31Å; N102-F163 VanDerWaalsContact ND2-CD1 3.28Å; N102-F163 WeakPolarHBondContact ND2-CD1 3.48Å; H159-F163 WeakPolarHBondContact O-CD2 3.41Å; H159-F163 WeakPolarHBondContact O-CE2 3.41Å; L160-F163 WeakPolarHBondContact O-CA 3.29Å; L160-F163 PolarHBondContact O-N 3.34Å; K161-F163 VanDerWaalsContact C-N 3.26Å; K161-F163 PolarHBondContact O-N 3.17Å; F163-N165 PolarHBondContact O-N 2.9Å; F163-F166 HydrophobicContact CB-CD2 3.65Å; F163-F166 HydrophobicContact CB-CE2 3.88Å; F163-F166 PolarHBondContact O-N 3.36Å
164S45Very low60.7Low76 Ų7656.9 Ų56.953%0.53129%0.29SS..THydrogen-bonded Turntrans-59.5-17.4-172.6-720000115.1R203S164-R203 PolarHBondContact O-NH1 3.29Å; S164-R203 VanDerWaalsContact O-NH1 3.11Å
165N51.7Low62Low114 Ų11453.9 Ų53.961%0.6128%0.275SS*.THydrogen-bonded Turntrans-96.24.2-170.1-63.4-6.9000114.2F163 G167F163-N165 PolarHBondContact O-N 2.9Å; N165-G167 PolarHBondContact O-N 3.39Å
166F50.6Low63.1Low30 Ų3050.2 Ų50.213%0.13225%0.25CC..  trans-63.6120.3175.9-93.1-91.8000111.6M97 I98 N101 L160 F163M97-F166 HydrophobicContact CE-CE1 4.26Å; M97-F166 WeakPolarHBondContact O-CZ 3.25Å; I98-F166 VanDerWaalsContact CA-CZ 3.43Å; I98-F166 HydrophobicContact CB-CE2 4.47Å; I98-F166 HydrophobicContact CB-CZ 4.32Å; I98-F166 HydrophobicContact CG1-CE1 4.48Å; I98-F166 HydrophobicContact CG1-CZ 4.29Å; I98-F166 HydrophobicContact CG2-CE2 4.3Å; I98-F166 VanDerWaalsContact O-CE2 3.25Å; I98-F166 WeakPolarHBondContact O-CE2 3.33Å; I98-F166 WeakPolarHBondContact O-CZ 3.14Å; N101-F166 HydrophobicContact CB-CE2 3.91Å; N101-F166 HydrophobicContact CB-CZ 3.61Å; N101-F166 VanDerWaalsContact ND2-CE1 3.33Å; N101-F166 WeakPolarHBondContact ND2-CE1 3.41Å; N101-F166 WeakPolarHBondContact ND2-CZ 3.32Å; L160-F166 HydrophobicContact CD2-CD2 4.39Å; L160-F166 HydrophobicContact CD2-CG 4.45Å; F163-F166 HydrophobicContact CB-CD2 3.65Å; F163-F166 HydrophobicContact CB-CE2 3.88Å; F163-F166 PolarHBondContact O-N 3.36Å
167G52.3Low63.7Low15 Ų1548.9 Ų48.916%0.15525%0.246CC..  trans-59.8148.1162.300000109.6N165 Q169N165-G167 PolarHBondContact O-N 3.39Å; G167-Q169 PolarHBondContact O-N 2.82Å
168D57.1Low63.9Low114 Ų11451.8 Ų51.861%0.6126%0.261SS*.SBendtrans-664.3-164.4-57.4-57.9000115.4K206D168-K206 WeakPolarHBondContact O-CB 3.34Å; D168-K206 PolarHBondContact O-N 3.17Å
169Q64.7Low64.4Low73 Ų7351.2 Ų51.234%0.34126%0.26SS..EExtended strand (participates in β ladder)trans-135.9117.1-167.4-166.9176.324.400112.9L114 G167 K206 D208L114-Q169 HydrophobicContact CD1-CB 4.08Å; L114-Q169 HydrophobicContact CD1-CG 3.81Å; G167-Q169 PolarHBondContact O-N 2.82Å; Q169-K206 CarbonylContact C-O 3.22Å; Q169-K206 WeakPolarHBondContact CA-O 3.34Å; Q169-K206 HydrophobicContact CG-CD 4.33Å; Q169-D208 PolarHBondContact NE2-OD2 3.3Å
170I74.9Confident64.6Low4 Ų446.6 Ų46.62%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-103.5138.7170.1-64.2167.2000107.5L94 M97 K206 I207 D208L94-I170 HydrophobicContact CD2-CG2 4.18Å; M97-I170 HydrophobicContact CE-CB 4.48Å; M97-I170 HydrophobicContact CE-CD1 3.92Å; M97-I170 HydrophobicContact CE-CG1 3.85Å; M97-I170 HydrophobicContact CE-CG2 3.86Å; M97-I170 HydrophobicContact SD-CG2 3.85Å; I170-K206 PolarHBondContact N-O 2.7Å; I170-I207 WeakPolarHBondContact O-CA 3.25Å; I170-D208 PolarHBondContact O-N 2.82Å
171K80.2Confident64.4Low82 Ų8252.5 Ų52.536%0.35728%0.282SS..EExtended strand (participates in β ladder)trans-107.1129.2168.4-73.9-171.8-175.31700111.2L114 G115 K116 V117 D208L114-K171 HydrophobicContact CD1-CD 4.37Å; L114-K171 HydrophobicContact CD1-CG 4.15Å; L114-K171 HydrophobicContact CD2-CD 3.87Å; L114-K171 HydrophobicContact CD2-CG 4.42Å; L114-K171 HydrophobicContact CG-CD 4.37Å; L114-K171 HydrophobicContact CG-CG 4.4Å; G115-K171 PolarHBondContact O-N 2.8Å; K116-K171 WeakPolarHBondContact CA-O 3.41Å; V117-K171 PolarHBondContact N-O 3.06Å; K171-D208 WeakPolarHBondContact CA-O 3.38Å; K171-D208 HydrophobicContact CG-CB 4.23Å
172L87.6Confident64.6Low1 Ų150.2 Ų50.21%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-109.2106.2169.9-177.560.6000108.1L90 V117 M119 L144 L148 I174 I207 D208 I209 L210L90-L172 HydrophobicContact CD1-CD1 4.17Å; V117-L172 HydrophobicContact CB-CD1 3.83Å; V117-L172 HydrophobicContact CG1-CD1 3.69Å; V117-L172 CarbonylContact O-C 3.4Å; V117-L172 WeakPolarHBondContact O-CA 3.47Å; M119-L172 HydrophobicContact CG-CD1 4.07Å; M119-L172 HydrophobicContact SD-CD1 3.96Å; L144-L172 HydrophobicContact CD1-CD2 4.35Å; L144-L172 HydrophobicContact CD2-CD2 4.02Å; L148-L172 HydrophobicContact CD1-CD2 4.03Å; L172-I174 HydrophobicContact CD2-CD1 4.49Å; L172-I174 HydrophobicContact CG-CG1 4.14Å; L172-I207 HydrophobicContact CB-CG2 4.4Å; L172-D208 PolarHBondContact N-O 3.06Å; L172-I209 HydrophobicContact CB-CG1 4.44Å; L172-I209 HydrophobicContact CD2-CG1 4.38Å; L172-I209 CarbonylContact O-C 3.54Å; L172-I209 WeakPolarHBondContact O-CA 3.43Å; L172-L210 PolarHBondContact O-N 3.2Å
173H86.7Confident65.1Low12 Ų1243.7 Ų43.76%0.05627%0.265CS..EExtended strand (participates in β ladder)trans-99.5102.9-177.3-171.2-161.6000109.9A32 K116 V117 C118 M119 L210 E212A32-H173 VanDerWaalsContact C-NE2 3.28Å; A32-H173 PolarHBondContact O-CE1 3.19Å; A32-H173 PolarHBondContact O-NE2 3.27Å; K116-H173 WeakPolarHBondContact CE-CE1 3.5Å; K116-H173 PolarHBondContact NZ-CE1 3Å; V117-H173 PolarHBondContact O-N 3.08Å; C118-H173 CarbonylContact C-O 3.27Å; C118-H173 VanDerWaalsContact CA-O 3.24Å; C118-H173 WeakPolarHBondContact CA-O 3.29Å; C118-H173 PolarHBondContact SG-CE1 3.3Å; M119-H173 PolarHBondContact N-O 3.37Å; H173-L210 CarbonylContact C-O 3.44Å; H173-L210 WeakPolarHBondContact CA-O 3.12Å; H173-L210 VanDerWaalsContact CD2-CD2 3.45Å; H173-L210 WeakPolarHBondContact CD2-CD2 3.42Å; H173-E212 IonicContact NE2-OE1 2.61Å
174I88.4Confident65.8Low0 Ų043.2 Ų43.20%027%0.266CS..EExtended strand (participates in β ladder)trans-97.9123.3-176.8-52.5172.7000108.6W132 L144 L172 W185 I209 L210 V211 E212W132-I174 HydrophobicContact CH2-CG2 3.96Å; W132-I174 HydrophobicContact CZ2-CG2 3.7Å; L144-I174 HydrophobicContact CD2-CD1 3.22Å; L144-I174 HydrophobicContact CD2-CG1 4.35Å; L172-I174 HydrophobicContact CD2-CD1 4.49Å; L172-I174 HydrophobicContact CG-CG1 4.14Å; I174-W185 HydrophobicContact CD1-CE3 4.08Å; I174-W185 HydrophobicContact CD1-CZ3 4.02Å; I174-W185 HydrophobicContact CG2-CE3 4.03Å; I174-W185 HydrophobicContact CG2-CZ3 3.93Å; I174-I209 HydrophobicContact CD1-CG2 3.43Å; I174-I209 VanDerWaalsContact CD1-CG2 3.43Å; I174-I209 HydrophobicContact CG1-CG2 4.18Å; I174-L210 PolarHBondContact N-O 3.3Å; I174-V211 HydrophobicContact CD1-CG2 4.4Å; I174-V211 CarbonylContact O-C 3.58Å; I174-V211 WeakPolarHBondContact O-CA 3.47Å; I174-E212 PolarHBondContact O-N 3.37Å
175I86Confident67Low2 Ų239.9 Ų39.91%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-120.7109.1-177.4-53.6162.5000107G29 A32 A33 M119 V120 Y121 E212G29-I175 VanDerWaalsContact O-CD1 3.31Å; G29-I175 WeakPolarHBondContact O-CD1 3.17Å; A32-I175 HydrophobicContact CB-CD1 3.83Å; A32-I175 HydrophobicContact CB-CG1 4.49Å; A32-I175 HydrophobicContact CB-CG2 4.43Å; A33-I175 HydrophobicContact CB-CD1 3.89Å; M119-I175 PolarHBondContact O-N 3Å; V120-I175 HydrophobicContact CG2-CB 4.45Å; V120-I175 HydrophobicContact CG2-CD1 4.21Å; Y121-I175 PolarHBondContact N-O 2.69Å; I175-E212 HydrophobicContact CG1-CB 4.43Å
176T80.2Confident67.5Low0 Ų035 Ų350%022%0.216CC..EExtended strand (participates in β ladder)trans-127.4150.8-170.5172.70000108.4W132 I178 A179 W185 V211 E212 A213 S214W132-T176 PolarHBondContact NE1-OG1 2.83Å; T176-I178 WeakPolarHBondContact CG2-O 3.41Å; T176-I178 PolarHBondContact O-N 3.47Å; T176-I178 PolarHBondContact OG1-O 2.9Å; T176-A179 HydrophobicContact CG2-CB 3.82Å; T176-W185 HydrophobicContact CG2-CG 4.4Å; T176-V211 HydrophobicContact CG2-CG1 4.02Å; T176-E212 PolarHBondContact N-O 2.76Å; T176-E212 VanDerWaalsContact N-O 3.11Å; T176-A213 CarbonylContact O-C 3.52Å; T176-A213 VanDerWaalsContact O-CA 3.24Å; T176-A213 WeakPolarHBondContact O-CA 3.06Å; T176-S214 PolarHBondContact O-N 2.66Å
177P70.1Confident68.1Low13 Ų1335.3 Ų35.38%0.08422%0.22CC..SBendtrans-56.7-51.6179.7-16.722.2000111.7L25 Y121 L125 W215L25-P177 HydrophobicContact CD1-CB 3.97Å; L25-P177 HydrophobicContact CD1-CG 3.73Å; L25-P177 HydrophobicContact CD2-CB 4.49Å; L25-P177 HydrophobicContact CD2-CG 3.73Å; L25-P177 HydrophobicContact CG-CG 4.38Å; Y121-P177 HydrophobicContact CD1-CG 4.39Å; L125-P177 HydrophobicContact CD1-CB 3.68Å; L125-P177 HydrophobicContact CD1-CG 3.67Å; L125-P177 HydrophobicContact CD2-CG 4.44Å; L125-P177 HydrophobicContact CG-CG 4.08Å; P177-W215 HydrophobicContact CB-CH2 4.47Å; P177-W215 HydrophobicContact CB-CZ3 3.97Å; P177-W215 WeakPolarHBondContact O-CH2 3.36Å; P177-W215 VanDerWaalsContact O-CZ2 3.28Å; P177-W215 WeakPolarHBondContact O-CZ2 3.3Å; P177-W215 WeakPolarHBondContact O-CZ3 3.46Å
178I66.6Low68.5Low61 Ų6137.1 Ų37.131%0.31323%0.227SC..SBendtrans-106.5119.6177.7-47.3168.3000109.2L125 T176 T183 W215L125-I178 HydrophobicContact CD1-CB 3.99Å; L125-I178 HydrophobicContact CD1-CD1 3.68Å; L125-I178 HydrophobicContact CD1-CG1 3.57Å; T176-I178 WeakPolarHBondContact CG2-O 3.41Å; T176-I178 PolarHBondContact O-N 3.47Å; T176-I178 PolarHBondContact OG1-O 2.9Å; I178-T183 HydrophobicContact CB-CG2 4.21Å; I178-T183 HydrophobicContact CG2-CG2 3.48Å; I178-T183 VanDerWaalsContact CG2-CG2 3.48Å; I178-W215 HydrophobicContact CG1-CH2 3.9Å; I178-W215 HydrophobicContact CG1-CZ2 4.43Å
179A60.7Low67.9Low26 Ų2642.3 Ų42.322%0.21524%0.244CC..  trans-131.6147.3164.900000110.8T176 V211 A213T176-A179 HydrophobicContact CG2-CB 3.82Å; A179-V211 HydrophobicContact CB-CG1 3.7Å; A179-A213 HydrophobicContact CB-CB 3.93Å
180G58.2Low67.2Low24 Ų2442.1 Ų42.125%0.24725%0.251CS..SBendtrans151-175.5172.300000113.3G182 T183G180-G182 PolarHBondContact O-N 2.83Å; G180-T183 PolarHBondContact N-OG1 3.26Å; G180-T183 PolarHBondContact O-N 2.81Å; G180-T183 PolarHBondContact O-OG1 3.16Å
181T49.1Very low66.1Low141 Ų14144.3 Ų44.387%0.86527%0.274SS*.THydrogen-bonded Turntrans-68.66.1-174.957.10000115.4V187T181-V187 HydrophobicContact CG2-CG2 4.45Å
182G47.2Very low64.9Low69 Ų6948.4 Ų48.471%0.71129%0.287SS*.THydrogen-bonded Turntrans-119.715.1171.500000113.2G180G180-G182 PolarHBondContact O-N 2.83Å
183T60.9Low63.5Low27 Ų2750.7 Ų50.717%0.16630%0.302CS..SBendtrans-115.6164.4177.262.70000111.6T129 I178 G180 W185T129-T183 CarbonylContact O-C 3.51Å; T129-T183 VanDerWaalsContact O-CA 3.24Å; T129-T183 WeakPolarHBondContact O-CA 3.14Å; I178-T183 HydrophobicContact CB-CG2 4.21Å; I178-T183 HydrophobicContact CG2-CG2 3.48Å; I178-T183 VanDerWaalsContact CG2-CG2 3.48Å; G180-T183 PolarHBondContact N-OG1 3.26Å; G180-T183 PolarHBondContact O-N 2.81Å; G180-T183 PolarHBondContact O-OG1 3.16Å; T183-W185 PolarHBondContact O-N 3.44Å
184C64.3Low62.6Low23 Ų2353.2 Ų53.216%0.15531%0.314CS..SBendtrans-66.9-7.4172.5660000114.9T129 D131 G141T129-C184 PolarHBondContact O-N 2.93Å; D131-C184 WeakPolarHBondContact OD1-CB 3.41Å; D131-C184 PolarHBondContact OD1-SG 2.93Å; G141-C184 VanDerWaalsContact CA-O 3.31Å; G141-C184 WeakPolarHBondContact CA-O 3.5Å; G141-C184 PolarHBondContact N-SG 2.97Å; G141-C184 VanDerWaalsContact N-SG 3.41Å
185W69.9Low61.2Low7 Ų755.8 Ų55.83%0.02733%0.33CS..SBendtrans-80.8138.4-170.9-67.197.5000113.1G130 W132 F139 L144 I174 T176 T183 V187 V211G130-W185 PolarHBondContact O-NE1 3.46Å; W132-W185 AromaticContact CD1-CZ2 3.51Å; W132-W185 AromaticContact CD2-CH2 3.84Å; W132-W185 HydrophobicContact CD2-CH2 3.84Å; W132-W185 AromaticContact CD2-CZ2 3.71Å; W132-W185 HydrophobicContact CD2-CZ2 3.71Å; W132-W185 AromaticContact CE2-CH2 3.52Å; W132-W185 AromaticContact CE2-CZ2 3.31Å; W132-W185 HydrophobicContact CE3-CH2 4.21Å; W132-W185 HydrophobicContact CG-CH2 4.39Å; W132-W185 AromaticContact CG-CZ2 3.83Å; W132-W185 HydrophobicContact CG-CZ2 3.83Å; W132-W185 HydrophobicContact CH2-CH2 4.02Å; W132-W185 AromaticContact CZ2-CH2 3.62Å; W132-W185 HydrophobicContact CZ2-CH2 3.62Å; W132-W185 AromaticContact CZ2-CZ2 3.83Å; W132-W185 HydrophobicContact CZ2-CZ2 3.83Å; W132-W185 HydrophobicContact CZ2-CZ3 4.24Å; W132-W185 HydrophobicContact CZ3-CH2 4.3Å; W132-W185 AromaticContact NE1-CE2 3.75Å; W132-W185 AromaticContact NE1-CH2 3.94Å; W132-W185 AromaticContact NE1-CZ2 3.21Å; F139-W185 AromaticContact CD1-CH2 3.93Å; F139-W185 HydrophobicContact CD1-CH2 3.93Å; F139-W185 AromaticContact CE1-CH2 3.87Å; F139-W185 HydrophobicContact CE1-CH2 3.87Å; F139-W185 HydrophobicContact CE1-CZ3 4.44Å; L144-W185 HydrophobicContact CD2-CZ3 4.27Å; I174-W185 HydrophobicContact CD1-CE3 4.08Å; I174-W185 HydrophobicContact CD1-CZ3 4.02Å; I174-W185 HydrophobicContact CG2-CE3 4.03Å; I174-W185 HydrophobicContact CG2-CZ3 3.93Å; T176-W185 HydrophobicContact CG2-CG 4.4Å; T183-W185 PolarHBondContact O-N 3.44Å; W185-V187 PolarHBondContact O-N 3.28Å; W185-V211 HydrophobicContact CB-CG1 3.69Å; W185-V211 HydrophobicContact CB-CG2 4.23Å; W185-V211 HydrophobicContact CG-CG1 4.16Å
186P62.6Low60.1Low12 Ų1256 Ų568%0.07833%0.331CS..  trans-7682.1-172.432.7-38.2000112.3L145 H194 I209 V211L145-P186 HydrophobicContact CD1-CB 3.85Å; L145-P186 HydrophobicContact CD2-CB 4.14Å; L145-P186 HydrophobicContact CD2-CG 4.27Å; L145-P186 HydrophobicContact CG-CB 4.05Å; L145-P186 HydrophobicContact CG-CG 4.2Å; P186-H194 HydrophobicContact CB-CB 4.13Å; P186-H194 WeakPolarHBondContact O-CB 3.4Å; P186-I209 HydrophobicContact CG-CD1 4.5Å; P186-I209 HydrophobicContact CG-CG2 4.02Å; P186-V211 HydrophobicContact CG-CG2 4.23Å
187V63.1Low59Low35 Ų3560.8 Ų60.821%0.21236%0.356CS..BIsolated β-bridgetrans-91.1142.7164.3-67.50000110.3T181 W185 V211T181-V187 HydrophobicContact CG2-CG2 4.45Å; W185-V187 PolarHBondContact O-N 3.28Å; V187-V211 HydrophobicContact CG1-CB 3.96Å; V187-V211 HydrophobicContact CG1-CG2 4.37Å
188D60Low58.3Low54 Ų5460.3 Ų60.329%0.28935%0.353SS..  trans-73.5171.9171.7101.6-17.7000112S190 G191 R192D188-S190 PolarHBondContact O-N 3.08Å; D188-S190 VanDerWaalsContact OD1-CA 3.26Å; D188-S190 WeakPolarHBondContact OD1-CA 3.42Å; D188-S190 WeakPolarHBondContact OD1-CB 3.39Å; D188-S190 PolarHBondContact OD1-N 3.37Å; D188-S190 PolarHBondContact OD1-OG 3.12Å; D188-S190 PolarHBondContact OD2-OG 3.43Å; D188-G191 PolarHBondContact O-N 3.22Å; D188-G191 PolarHBondContact OD1-N 2.77Å; D188-G191 VanDerWaalsContact OD1-N 3.16Å; D188-R192 WeakPolarHBondContact CB-O 3.42Å; D188-R192 PolarHBondContact N-O 2.98Å; D188-R192 WeakPolarHBondContact OD1-CB 3.43Å; D188-R192 PolarHBondContact OD1-N 2.81Å
189K45.3Very low57.5Low223 Ų22362.6 Ų62.697%0.9736%0.362SS*.THydrogen-bonded Turntrans-62.3-6.6-177.9-65.1-172.6178.2-175.30115
190S48.6Very low57.1Low69 Ų6962.1 Ų62.148%0.48336%0.356SS..THydrogen-bonded Turntrans-118.711.7176.661.10000113.2D188 R192D188-S190 PolarHBondContact O-N 3.08Å; D188-S190 VanDerWaalsContact OD1-CA 3.26Å; D188-S190 WeakPolarHBondContact OD1-CA 3.42Å; D188-S190 WeakPolarHBondContact OD1-CB 3.39Å; D188-S190 PolarHBondContact OD1-N 3.37Å; D188-S190 PolarHBondContact OD1-OG 3.12Å; D188-S190 PolarHBondContact OD2-OG 3.43Å; S190-R192 PolarHBondContact O-N 2.98Å; S190-R192 WeakPolarHBondContact OG-CD 3.37Å; S190-R192 VanDerWaalsContact OG-CG 3.31Å; S190-R192 WeakPolarHBondContact OG-CG 2.88Å
191G52.5Low56.7Low50 Ų5064.4 Ų64.452%0.51536%0.363SS..SBendtrans70.216.2-17600000113.8D188D188-G191 PolarHBondContact O-N 3.22Å; D188-G191 PolarHBondContact OD1-N 2.77Å; D188-G191 VanDerWaalsContact OD1-N 3.16Å
192R54.9Low56.4Low168 Ų16863.9 Ų63.963%0.63436%0.359SS*.  trans-93.1163.3179.9-65.2179.3-173.5178.8-1110.6D188 S190 H194D188-R192 WeakPolarHBondContact CB-O 3.42Å; D188-R192 PolarHBondContact N-O 2.98Å; D188-R192 WeakPolarHBondContact OD1-CB 3.43Å; D188-R192 PolarHBondContact OD1-N 2.81Å; S190-R192 PolarHBondContact O-N 2.98Å; S190-R192 WeakPolarHBondContact OG-CD 3.37Å; S190-R192 VanDerWaalsContact OG-CG 3.31Å; S190-R192 WeakPolarHBondContact OG-CG 2.88Å; R192-H194 PolarHBondContact O-N 2.73Å
193P58.3Low56.6Low48 Ų4867.3 Ų67.331%0.31235%0.351SS..BIsolated β-bridgetrans-55.2131.4179.716.5-31.2000113.3T195 D208 I209 L210P193-T195 PolarHBondContact O-N 3.49Å; P193-D208 HydrophobicContact CB-CB 4.35Å; P193-I209 CarbonylContact C-O 3.56Å; P193-I209 WeakPolarHBondContact CA-O 3.39Å; P193-I209 WeakPolarHBondContact CB-O 3.16Å; P193-L210 HydrophobicContact CB-CB 4.05Å; P193-L210 HydrophobicContact CB-CD1 4.4Å; P193-L210 HydrophobicContact CG-CD1 4.44Å
194H67.8Low56.2Low65 Ų6570.7 Ų70.730%0.30137%0.366SS..EExtended strand (participates in β ladder)trans-77.9114176-178.392000110.3P186 R192 V196 I209P186-H194 HydrophobicContact CB-CB 4.13Å; P186-H194 WeakPolarHBondContact O-CB 3.4Å; R192-H194 PolarHBondContact O-N 2.73Å; H194-V196 PolarHBondContact O-N 3.02Å; H194-I209 PolarHBondContact N-O 2.86Å; H194-I209 WeakPolarHBondContact O-CB 2.9Å; H194-I209 PolarHBondContact O-N 2.77Å
195T59.6Low56.1Low55 Ų5570.3 Ų70.334%0.33737%0.365SS..EExtended strand (participates in β ladder)trans-80114.1176-61.90000111.7P193 L197 K206 I207 D208P193-T195 PolarHBondContact O-N 3.49Å; T195-L197 HydrophobicContact CG2-CD2 4.41Å; T195-L197 HydrophobicContact CG2-CG 4.21Å; T195-K206 HydrophobicContact CG2-CD 4.25Å; T195-K206 HydrophobicContact CG2-CG 3.4Å; T195-K206 VanDerWaalsContact CG2-CG 3.4Å; T195-K206 PolarHBondContact OG1-NZ 2.71Å; T195-I207 CarbonylContact C-O 3.16Å; T195-I207 WeakPolarHBondContact CA-O 3.43Å; T195-D208 WeakPolarHBondContact CB-OD1 3.47Å; T195-D208 WeakPolarHBondContact CG2-OD1 3.29Å; T195-D208 PolarHBondContact OG1-OD1 3.42Å
196V63.1Low56Low6 Ų673.1 Ų73.14%0.03638%0.377CS..EExtended strand (participates in β ladder)trans-91.9123.8162.6-174.50000108.9L145 N149 H194 I207 I209L145-V196 HydrophobicContact CD2-CG2 3.6Å; N149-V196 WeakPolarHBondContact OD1-CG1 3.38Å; H194-V196 PolarHBondContact O-N 3.02Å; V196-I207 HydrophobicContact CB-CB 4.39Å; V196-I207 PolarHBondContact N-O 2.97Å; V196-I207 PolarHBondContact O-N 3.43Å; V196-I209 HydrophobicContact CG2-CD1 3.65Å; V196-I209 HydrophobicContact CG2-CG1 4.38Å
197L55.9Low56.6Low101 Ų10172.6 Ų72.653%0.52937%0.373SS..EExtended strand (participates in β ladder)trans-97.4113174.3-78.4173.9000109.6T195 M204 K206T195-L197 HydrophobicContact CG2-CD2 4.41Å; T195-L197 HydrophobicContact CG2-CG 4.21Å; L197-M204 HydrophobicContact CB-CE 3.99Å; L197-K206 HydrophobicContact CD2-CB 4.15Å; L197-K206 HydrophobicContact CD2-CG 4.15Å
198T56.8Low57.3Low3 Ų371.3 Ų71.32%0.01837%0.365CS..EExtended strand (participates in β ladder)trans-115.5127.1-169.8-38.50000110.8M154 W157 I200 A205 I207M154-T198 HydrophobicContact SD-CG2 3.62Å; W157-T198 HydrophobicContact CG-CG2 4.42Å; W157-T198 VanDerWaalsContact NE1-CG2 3.27Å; T198-I200 PolarHBondContact O-N 2.89Å; T198-I200 VanDerWaalsContact O-N 3.15Å; T198-A205 PolarHBondContact N-O 3.2Å; T198-A205 PolarHBondContact O-N 2.97Å; T198-I207 WeakPolarHBondContact OG1-CD1 3.42Å
199Q49.1Very low58.5Low108 Ų10868.8 Ų68.851%0.50535%0.352SS..EExtended strand (participates in β ladder)trans-84.492.8-172.5-174.2-173-21.400111.7M154 N201 M204M154-Q199 HydrophobicContact CE-CB 3.84Å; M154-Q199 WeakPolarHBondContact CE-O 3.4Å; Q199-N201 VanDerWaalsContact C-N 3.33Å; Q199-N201 PolarHBondContact NE2-O 3.05Å; Q199-N201 PolarHBondContact O-N 2.84Å; Q199-M204 HydrophobicContact CB-SD 3.6Å; Q199-M204 HydrophobicContact CG-SD 3.88Å
200I52.3Low60.3Low17 Ų1760.3 Ų60.39%0.08732%0.317CS..EExtended strand (participates in β ladder)trans-81.284.5171.7-67.7133000108.4W157 L160 T198 T202 R203 A205W157-I200 HydrophobicContact CB-CG1 3.75Å; W157-I200 HydrophobicContact CD2-CD1 4.47Å; W157-I200 HydrophobicContact CD2-CG1 4.3Å; W157-I200 HydrophobicContact CE3-CD1 4.32Å; W157-I200 HydrophobicContact CE3-CG1 4.4Å; W157-I200 HydrophobicContact CG-CG1 4.04Å; L160-I200 HydrophobicContact CB-CG2 3.71Å; L160-I200 HydrophobicContact CD1-CD1 3.5Å; L160-I200 VanDerWaalsContact CD1-CD1 3.5Å; L160-I200 HydrophobicContact CD1-CG1 3.75Å; L160-I200 HydrophobicContact CD1-CG2 4.05Å; T198-I200 PolarHBondContact O-N 2.89Å; T198-I200 VanDerWaalsContact O-N 3.15Å; I200-T202 PolarHBondContact O-N 2.94Å; I200-R203 CarbonylContact C-O 3.58Å; I200-R203 WeakPolarHBondContact CA-O 3.45Å; I200-R203 PolarHBondContact N-O 3Å; I200-R203 PolarHBondContact O-N 2.82Å; I200-R203 VanDerWaalsContact O-O 3.12Å; I200-A205 HydrophobicContact CD1-CB 3.26Å
201N49.5Very low61.7Low72 Ų7257.7 Ų57.739%0.38530%0.298SS..THydrogen-bonded Turntrans61.3-85.8-179.4-177.591000113.8K161 Q199K161-N201 WeakPolarHBondContact CE-OD1 3.46Å; K161-N201 PolarHBondContact NZ-OD1 3.34Å; Q199-N201 VanDerWaalsContact C-N 3.33Å; Q199-N201 PolarHBondContact NE2-O 3.05Å; Q199-N201 PolarHBondContact O-N 2.84Å
202T43.1Very low62.7Low129 Ų12955.7 Ų55.779%0.79128%0.275SS*.THydrogen-bonded Turntrans-122.3-2.4-177.744.50000112.6I200I200-T202 PolarHBondContact O-N 2.94Å
203R50.1Low63.3Low142 Ų14248 Ų4854%0.53625%0.247SC..EExtended strand (participates in β ladder)trans-110.1149.7169.6-65.1-170.4-176.7177.95.2109.1S164 I200S164-R203 PolarHBondContact O-NH1 3.29Å; S164-R203 VanDerWaalsContact O-NH1 3.11Å; I200-R203 CarbonylContact C-O 3.58Å; I200-R203 WeakPolarHBondContact CA-O 3.45Å; I200-R203 PolarHBondContact N-O 3Å; I200-R203 PolarHBondContact O-N 2.82Å; I200-R203 VanDerWaalsContact O-O 3.12Å
204M53.3Low63.3Low97 Ų9745.9 Ų45.948%0.47823%0.234SC..EExtended strand (participates in β ladder)trans-102.3118.3170.1-61.7-71.1-81.500106.7L197 Q199L197-M204 HydrophobicContact CB-CE 3.99Å; Q199-M204 HydrophobicContact CB-SD 3.6Å; Q199-M204 HydrophobicContact CG-SD 3.88Å
205A63Low62.6Low16 Ų1648.6 Ų48.613%0.13224%0.242CC..EExtended strand (participates in β ladder)trans-92.4144.1167.800000110T198 I200T198-A205 PolarHBondContact N-O 3.2Å; T198-A205 PolarHBondContact O-N 2.97Å; I200-A205 HydrophobicContact CD1-CB 3.26Å
206K66.7Low62.1Low65 Ų6551.8 Ų51.828%0.28325%0.247SC..EExtended strand (participates in β ladder)trans-97.8106.6-179.8-166.2-175.3-173.3-64.80108.6D168 Q169 I170 T195 L197 D208D168-K206 WeakPolarHBondContact O-CB 3.34Å; D168-K206 PolarHBondContact O-N 3.17Å; Q169-K206 CarbonylContact C-O 3.22Å; Q169-K206 WeakPolarHBondContact CA-O 3.34Å; Q169-K206 HydrophobicContact CG-CD 4.33Å; I170-K206 PolarHBondContact N-O 2.7Å; T195-K206 HydrophobicContact CG2-CD 4.25Å; T195-K206 HydrophobicContact CG2-CG 3.4Å; T195-K206 VanDerWaalsContact CG2-CG 3.4Å; T195-K206 PolarHBondContact OG1-NZ 2.71Å; L197-K206 HydrophobicContact CD2-CB 4.15Å; L197-K206 HydrophobicContact CD2-CG 4.15Å; K206-D208 IonicContact NZ-OD1 2.7Å; K206-D208 PolarHBondContact NZ-OD1 3.38Å; K206-D208 IonicContact NZ-OD2 2.83Å; K206-D208 PolarHBondContact NZ-OD2 2.8Å
207I76.3Confident61.5Low1 Ų155.2 Ų55.21%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-95.7108.5174.6-53177.1000107.5L148 W157 I170 L172 T195 V196 T198 I209L148-I207 HydrophobicContact CD2-CD1 4.35Å; W157-I207 HydrophobicContact CH2-CD1 3.58Å; W157-I207 HydrophobicContact CZ2-CD1 3.43Å; W157-I207 VanDerWaalsContact CZ2-CD1 3.43Å; I170-I207 WeakPolarHBondContact O-CA 3.25Å; L172-I207 HydrophobicContact CB-CG2 4.4Å; T195-I207 CarbonylContact C-O 3.16Å; T195-I207 WeakPolarHBondContact CA-O 3.43Å; V196-I207 HydrophobicContact CB-CB 4.39Å; V196-I207 PolarHBondContact N-O 2.97Å; V196-I207 PolarHBondContact O-N 3.43Å; T198-I207 WeakPolarHBondContact OG1-CD1 3.42Å; I207-I209 HydrophobicContact CG2-CG1 4.25Å
208D78Confident61.1Low9 Ų956.5 Ų56.55%0.04827%0.273CS..EExtended strand (participates in β ladder)trans-94.1103.7178.5-76.8-9.8000110.3Q169 I170 K171 L172 P193 T195 K206 L210Q169-D208 PolarHBondContact NE2-OD2 3.3Å; I170-D208 PolarHBondContact O-N 2.82Å; K171-D208 WeakPolarHBondContact CA-O 3.38Å; K171-D208 HydrophobicContact CG-CB 4.23Å; L172-D208 PolarHBondContact N-O 3.06Å; P193-D208 HydrophobicContact CB-CB 4.35Å; T195-D208 WeakPolarHBondContact CB-OD1 3.47Å; T195-D208 WeakPolarHBondContact CG2-OD1 3.29Å; T195-D208 PolarHBondContact OG1-OD1 3.42Å; K206-D208 IonicContact NZ-OD1 2.7Å; K206-D208 PolarHBondContact NZ-OD1 3.38Å; K206-D208 IonicContact NZ-OD2 2.83Å; K206-D208 PolarHBondContact NZ-OD2 2.8Å; D208-L210 PolarHBondContact O-N 2.88Å
209I84.2Confident60.3Low0 Ų058.9 Ų58.90%030%0.297CS..EExtended strand (participates in β ladder)trans-85.598.7179.9-51.5179.2000109.1L145 L148 L172 I174 P186 P193 H194 V196 I207 V211L145-I209 HydrophobicContact CD2-CD1 3.7Å; L148-I209 HydrophobicContact CD1-CD1 3.66Å; L148-I209 HydrophobicContact CD1-CG1 4.43Å; L172-I209 HydrophobicContact CB-CG1 4.44Å; L172-I209 HydrophobicContact CD2-CG1 4.38Å; L172-I209 CarbonylContact O-C 3.54Å; L172-I209 WeakPolarHBondContact O-CA 3.43Å; I174-I209 HydrophobicContact CD1-CG2 3.43Å; I174-I209 VanDerWaalsContact CD1-CG2 3.43Å; I174-I209 HydrophobicContact CG1-CG2 4.18Å; P186-I209 HydrophobicContact CG-CD1 4.5Å; P186-I209 HydrophobicContact CG-CG2 4.02Å; P193-I209 CarbonylContact C-O 3.56Å; P193-I209 WeakPolarHBondContact CA-O 3.39Å; P193-I209 WeakPolarHBondContact CB-O 3.16Å; H194-I209 PolarHBondContact N-O 2.86Å; H194-I209 WeakPolarHBondContact O-CB 2.9Å; H194-I209 PolarHBondContact O-N 2.77Å; V196-I209 HydrophobicContact CG2-CD1 3.65Å; V196-I209 HydrophobicContact CG2-CG1 4.38Å; I207-I209 HydrophobicContact CG2-CG1 4.25Å; I209-V211 HydrophobicContact CG2-CG2 4.21Å
210L82.2Confident59.7Low45 Ų4561.3 Ų61.324%0.23631%0.306CS..EExtended strand (participates in β ladder)trans-86.4116.7171.5176.862.3000108.5L172 H173 I174 P193 D208L172-L210 PolarHBondContact O-N 3.2Å; H173-L210 CarbonylContact C-O 3.44Å; H173-L210 WeakPolarHBondContact CA-O 3.12Å; H173-L210 VanDerWaalsContact CD2-CD2 3.45Å; H173-L210 WeakPolarHBondContact CD2-CD2 3.42Å; I174-L210 PolarHBondContact N-O 3.3Å; P193-L210 HydrophobicContact CB-CB 4.05Å; P193-L210 HydrophobicContact CB-CD1 4.4Å; P193-L210 HydrophobicContact CG-CD1 4.44Å; D208-L210 PolarHBondContact O-N 2.88Å
211V79.1Confident59Low14 Ų1464.6 Ų64.69%0.08533%0.329CS..EExtended strand (participates in β ladder)trans-103129.9172.9-169.10000109.2I174 T176 A179 W185 P186 V187 I209I174-V211 HydrophobicContact CD1-CG2 4.4Å; I174-V211 CarbonylContact O-C 3.58Å; I174-V211 WeakPolarHBondContact O-CA 3.47Å; T176-V211 HydrophobicContact CG2-CG1 4.02Å; A179-V211 HydrophobicContact CB-CG1 3.7Å; W185-V211 HydrophobicContact CB-CG1 3.69Å; W185-V211 HydrophobicContact CB-CG2 4.23Å; W185-V211 HydrophobicContact CG-CG1 4.16Å; P186-V211 HydrophobicContact CG-CG2 4.23Å; V187-V211 HydrophobicContact CG1-CB 3.96Å; V187-V211 HydrophobicContact CG1-CG2 4.37Å; I209-V211 HydrophobicContact CG2-CG2 4.21Å
212E72.6Confident58.9Low8 Ų862.7 Ų62.74%0.03732%0.318CS..EExtended strand (participates in β ladder)trans-127.3139.9178.9-161.8162.910600110.2A32 H173 I174 I175 T176 R216 L217 N218A32-E212 WeakPolarHBondContact CB-OE1 3.41Å; H173-E212 IonicContact NE2-OE1 2.61Å; I174-E212 PolarHBondContact O-N 3.37Å; I175-E212 HydrophobicContact CG1-CB 4.43Å; T176-E212 PolarHBondContact N-O 2.76Å; T176-E212 VanDerWaalsContact N-O 3.11Å; E212-R216 WeakPolarHBondContact CG-O 3.43Å; E212-L217 WeakPolarHBondContact OE1-CA 3Å; E212-L217 WeakPolarHBondContact OE1-CD1 3.28Å; E212-N218 PolarHBondContact OE2-N 3.33Å
213A67.9Low58.6Low6 Ų662.3 Ų62.35%0.0531%0.312CS..EExtended strand (participates in β ladder)trans-80.1135.3167.900000107.4T176 A179 W215 R216T176-A213 CarbonylContact O-C 3.52Å; T176-A213 VanDerWaalsContact O-CA 3.24Å; T176-A213 WeakPolarHBondContact O-CA 3.06Å; A179-A213 HydrophobicContact CB-CB 3.93Å; A213-W215 PolarHBondContact O-N 3.09Å; A213-W215 VanDerWaalsContact O-N 3.08Å; A213-R216 HydrophobicContact CB-CB 4.17Å; A213-R216 HydrophobicContact CB-CG 4.22Å; A213-R216 WeakPolarHBondContact O-CA 3.24Å; A213-R216 PolarHBondContact O-N 3.08Å
214S59.3Low58.4Low4 Ų459.3 Ų59.33%0.02831%0.309CS..THydrogen-bonded Turntrans-53.8-36.5-174.859.80000113L25 T176 R216 L222L25-S214 WeakPolarHBondContact CD1-OG 3.23Å; T176-S214 PolarHBondContact O-N 2.66Å; S214-R216 VanDerWaalsContact C-N 3.31Å; S214-R216 PolarHBondContact O-N 2.74Å; S214-L222 WeakPolarHBondContact O-CD1 3.38Å
215W53.3Low57.7Low123 Ų12362.7 Ų62.747%0.46632%0.323SS..THydrogen-bonded Turntrans-83.410.4175.858.577.2000114.8P177 I178 A213 P221 L222P177-W215 HydrophobicContact CB-CH2 4.47Å; P177-W215 HydrophobicContact CB-CZ3 3.97Å; P177-W215 WeakPolarHBondContact O-CH2 3.36Å; P177-W215 VanDerWaalsContact O-CZ2 3.28Å; P177-W215 WeakPolarHBondContact O-CZ2 3.3Å; P177-W215 WeakPolarHBondContact O-CZ3 3.46Å; I178-W215 HydrophobicContact CG1-CH2 3.9Å; I178-W215 HydrophobicContact CG1-CZ2 4.43Å; A213-W215 PolarHBondContact O-N 3.09Å; A213-W215 VanDerWaalsContact O-N 3.08Å; W215-P221 VanDerWaalsContact O-CA 3.32Å; W215-P221 WeakPolarHBondContact O-CA 3.44Å; W215-L222 PolarHBondContact O-N 2.8Å
216R48.4Very low56.5Low122 Ų12264.5 Ų64.546%0.4634%0.343SS..  trans-141.780.9-176-57.2-161.8175.3-166.82.5117.8E212 A213 S214 N218 G219 K220E212-R216 WeakPolarHBondContact CG-O 3.43Å; A213-R216 HydrophobicContact CB-CB 4.17Å; A213-R216 HydrophobicContact CB-CG 4.22Å; A213-R216 WeakPolarHBondContact O-CA 3.24Å; A213-R216 PolarHBondContact O-N 3.08Å; S214-R216 VanDerWaalsContact C-N 3.31Å; S214-R216 PolarHBondContact O-N 2.74Å; R216-N218 PolarHBondContact O-N 3.49Å; R216-N218 VanDerWaalsContact O-N 3.15Å; R216-G219 PolarHBondContact O-N 2.93Å; R216-G219 VanDerWaalsContact O-N 3.14Å; R216-K220 CarbonylContact C-O 3.5Å; R216-K220 WeakPolarHBondContact CA-O 3.35Å; R216-K220 VanDerWaalsContact CB-O 3.27Å; R216-K220 WeakPolarHBondContact CB-O 3.43Å
217L50.4Low55.4Low78 Ų7867.5 Ų67.541%0.40836%0.362SS..G310 helixtrans-58.8117.1170.9-173.764.5000112E212 G219 K220 L222E212-L217 WeakPolarHBondContact OE1-CA 3Å; E212-L217 WeakPolarHBondContact OE1-CD1 3.28Å; L217-G219 PolarHBondContact O-N 2.84Å; L217-K220 PolarHBondContact N-O 2.97Å; L217-K220 PolarHBondContact O-N 2.92Å; L217-L222 HydrophobicContact CB-CD1 3.92Å; L217-L222 HydrophobicContact CB-CG 4.12Å
218N48.5Very low54.2Low128 Ų12869.5 Ų69.568%0.68437%0.373SS*.G310 helixtrans5135.5-175.6-66.9-88.6000114.2E212 R216 K220E212-N218 PolarHBondContact OE2-N 3.33Å; R216-N218 PolarHBondContact O-N 3.49Å; R216-N218 VanDerWaalsContact O-N 3.15Å; N218-K220 PolarHBondContact O-N 2.75Å; N218-K220 VanDerWaalsContact O-N 3.13Å
219G39Very low52.9Low52 Ų5272.7 Ų72.754%0.53640%0.396SS..G310 helixtrans78.3-12.417400000116R216 L217R216-G219 PolarHBondContact O-N 2.93Å; R216-G219 VanDerWaalsContact O-N 3.14Å; L217-G219 PolarHBondContact O-N 2.84Å
220K35.6Very low51.9Low159 Ų15974.8 Ų74.869%0.69142%0.417SS*.SBendtrans-74.3147.1159-62.3176.3-176.6175.30107.7R216 L217 N218R216-K220 CarbonylContact C-O 3.5Å; R216-K220 WeakPolarHBondContact CA-O 3.35Å; R216-K220 VanDerWaalsContact CB-O 3.27Å; R216-K220 WeakPolarHBondContact CB-O 3.43Å; L217-K220 PolarHBondContact N-O 2.97Å; L217-K220 PolarHBondContact O-N 2.92Å; N218-K220 PolarHBondContact O-N 2.75Å; N218-K220 VanDerWaalsContact O-N 3.13Å
221P37.7Very low51.8Low86 Ų8674.2 Ų74.256%0.55841%0.413SS*.  trans-54.9149.7163.527.5-34.3000109.7W215 N223W215-P221 VanDerWaalsContact O-CA 3.32Å; W215-P221 WeakPolarHBondContact O-CA 3.44Å; P221-N223 VanDerWaalsContact C-N 3.32Å; P221-N223 PolarHBondContact O-N 2.87Å
222L48.6Very low52Low32 Ų3278.4 Ų78.417%0.16843%0.432CS..  trans-59.8100.9166.8-92.688.5000107.6L31 S214 W215 L217 T224L31-L222 HydrophobicContact CD2-CD2 3.77Å; S214-L222 WeakPolarHBondContact O-CD1 3.38Å; W215-L222 PolarHBondContact O-N 2.8Å; L217-L222 HydrophobicContact CB-CD1 3.92Å; L217-L222 HydrophobicContact CB-CG 4.12Å; L222-T224 HydrophobicContact CB-CG2 4.06Å; L222-T224 PolarHBondContact O-N 2.99Å; L222-T224 VanDerWaalsContact O-N 3.16Å
223N37.4Very low52.7Low122 Ų12278 Ų7865%0.65243%0.43SS*.  trans-85.889174.6-161.918.6000107.1P221 H225P221-N223 VanDerWaalsContact C-N 3.32Å; P221-N223 PolarHBondContact O-N 2.87Å; N223-H225 PolarHBondContact O-N 3.12Å; N223-H225 PolarHBondContact OD1-CD2 3.08Å; N223-H225 VanDerWaalsContact OD1-CD2 3.26Å; N223-H225 PolarHBondContact OD1-NE2 3.36Å
224T45.4Very low53.7Low79 Ų7977.7 Ų77.749%0.48543%0.427SS..  trans-70.619.9-16250.50000115.5L222 G226 L228L222-T224 HydrophobicContact CB-CG2 4.06Å; L222-T224 PolarHBondContact O-N 2.99Å; L222-T224 VanDerWaalsContact O-N 3.16Å; T224-G226 PolarHBondContact O-N 3.26Å; T224-L228 HydrophobicContact CG2-CD1 3.43Å; T224-L228 VanDerWaalsContact CG2-CD1 3.43Å
225H37.1Very low54.9Low168 Ų16881.9 Ų81.978%0.77844%0.443SS*.THydrogen-bonded Turntrans-74.735.5177.3-58.9-42.9000113.9N223N223-H225 PolarHBondContact O-N 3.12Å; N223-H225 PolarHBondContact OD1-CD2 3.08Å; N223-H225 VanDerWaalsContact OD1-CD2 3.26Å; N223-H225 PolarHBondContact OD1-NE2 3.36Å
226G39.1Very low56.5Low53 Ų5377.9 Ų77.955%0.54643%0.433SS..THydrogen-bonded Turntrans-140.573.7-178.300000111.7T224 L228T224-G226 PolarHBondContact O-N 3.26Å; G226-L228 VanDerWaalsContact C-N 3.29Å; G226-L228 PolarHBondContact O-N 3.18Å
227N43.4Very low58.4Low129 Ų12972.1 Ų72.169%0.6941%0.411SS*.THydrogen-bonded Turntrans4437.9165.5-146.340.6000117.8S229 G230N227-S229 PolarHBondContact O-N 3.26Å; N227-S229 PolarHBondContact OD1-OG 3.38Å; N227-G230 PolarHBondContact O-N 3.47Å
228L51.9Low60.3Low42 Ų4268.5 Ų68.522%0.2239%0.393CS..THydrogen-bonded Turntrans-68.55179.2-81.8153000115.1Y27 L31 T224 G226 G230 R235Y27-L228 HydrophobicContact CE1-CD2 4.35Å; Y27-L228 PolarHBondContact OH-O 2.84Å; L31-L228 HydrophobicContact CD1-CD2 3.31Å; L31-L228 HydrophobicContact CD2-CD2 3.82Å; L31-L228 HydrophobicContact CG-CD2 4.21Å; T224-L228 HydrophobicContact CG2-CD1 3.43Å; T224-L228 VanDerWaalsContact CG2-CD1 3.43Å; G226-L228 VanDerWaalsContact C-N 3.29Å; G226-L228 PolarHBondContact O-N 3.18Å; L228-G230 VanDerWaalsContact C-N 3.32Å; L228-R235 PolarHBondContact O-NH2 3.08Å
229S50.9Low62Low77 Ų7765.9 Ų65.954%0.53838%0.379SS..THydrogen-bonded Turntrans-75-13.8164.440.10000114N227N227-S229 PolarHBondContact O-N 3.26Å; N227-S229 PolarHBondContact OD1-OG 3.38Å
230G62.2Low64.2Low43 Ų4365.1 Ų65.144%0.44336%0.361SS..  trans-87.9-8.5-167.300000118.5N227 L228N227-G230 PolarHBondContact O-N 3.47Å; L228-G230 VanDerWaalsContact C-N 3.32Å
231F81.1Confident66.6Low33 Ų3357.7 Ų57.715%0.14533%0.329CS..  trans-105.869.5-169.9-58-60.4000112.9L31 L38 D39 D42 L234 R235L31-F231 HydrophobicContact CD1-CD2 3.94Å; L31-F231 HydrophobicContact CD1-CE2 4.15Å; L38-F231 HydrophobicContact CB-CE1 4.24Å; L38-F231 HydrophobicContact CB-CZ 4.44Å; L38-F231 HydrophobicContact CD2-CB 4.35Å; L38-F231 HydrophobicContact CD2-CD1 3.79Å; L38-F231 HydrophobicContact CD2-CD2 3.59Å; L38-F231 HydrophobicContact CD2-CE1 3.91Å; L38-F231 HydrophobicContact CD2-CE2 3.72Å; L38-F231 HydrophobicContact CD2-CG 3.63Å; L38-F231 HydrophobicContact CD2-CZ 3.88Å; L38-F231 HydrophobicContact CG-CD1 3.68Å; L38-F231 HydrophobicContact CG-CD2 4.4Å; L38-F231 HydrophobicContact CG-CE1 3.73Å; L38-F231 HydrophobicContact CG-CE2 4.45Å; L38-F231 HydrophobicContact CG-CG 4.03Å; L38-F231 HydrophobicContact CG-CZ 4.12Å; D39-F231 VanDerWaalsContact OD1-CE1 3.31Å; D39-F231 WeakPolarHBondContact OD1-CE1 3.05Å; D39-F231 WeakPolarHBondContact OD1-CZ 3.19Å; D42-F231 HydrophobicContact CB-CD1 4.23Å; D42-F231 VanDerWaalsContact OD1-C 3.23Å; D42-F231 VanDerWaalsContact OD1-CA 3.28Å; D42-F231 WeakPolarHBondContact OD1-CA 3.39Å; D42-F231 WeakPolarHBondContact OD1-CB 3.39Å; F231-L234 HydrophobicContact CB-CB 4.02Å; F231-L234 PolarHBondContact O-N 3.39Å; F231-R235 WeakPolarHBondContact O-CG 3.44Å; F231-R235 PolarHBondContact O-N 3.34Å
232E82.3Confident68.7Low102 Ų10254.5 Ų54.548%0.47731%0.307SS..Hα-helixtrans-72.8-31.3-175.1-164.865.6-17900112.8D42 R235 S236D42-E232 PolarHBondContact OD2-N 3.02Å; E232-R235 PolarHBondContact O-N 3.06Å; E232-R235 WeakPolarHBondContact OE2-CD 3.39Å; E232-R235 IonicContact OE2-CZ 2.72Å; E232-R235 IonicContact OE2-NH1 3.93Å; E232-R235 PolarHBondContact OE2-NH1 3.25Å; E232-S236 WeakPolarHBondContact O-CB 3.33Å; E232-S236 PolarHBondContact O-N 3.49Å; E232-S236 PolarHBondContact O-OG 3.36Å
233G86.2Confident70.1Confident0 Ų059.8 Ų59.80%033%0.33CS..Hα-helixtrans-64.4-44.3171.800000112.6D42 F45 R235 S236 F237D42-G233 WeakPolarHBondContact OD1-CA 3.39Å; D42-G233 PolarHBondContact OD1-N 3.44Å; D42-G233 VanDerWaalsContact OD1-N 3.11Å; D42-G233 PolarHBondContact OD2-N 2.84Å; F45-G233 VanDerWaalsContact CB-C 3.48Å; F45-G233 VanDerWaalsContact CB-O 3.29Å; F45-G233 WeakPolarHBondContact CB-O 3.18Å; G233-R235 PolarHBondContact O-N 2.79Å; G233-S236 PolarHBondContact O-N 2.93Å; G233-F237 WeakPolarHBondContact O-CB 3.1Å; G233-F237 PolarHBondContact O-N 3.43Å; G233-F237 VanDerWaalsContact O-N 3.11Å
234L89.3Confident71.9Confident0 Ų055.8 Ų55.80%031%0.308CS..Hα-helixtrans-61.7-42.2176.7-177.960.9000112Y27 L30 L31 L38 D42 F45 F231 F237 V238Y27-L234 HydrophobicContact CD2-CD2 3.86Å; Y27-L234 HydrophobicContact CD2-CG 3.84Å; Y27-L234 HydrophobicContact CE2-CB 4.15Å; Y27-L234 HydrophobicContact CE2-CD2 3.66Å; Y27-L234 HydrophobicContact CE2-CG 3.79Å; L30-L234 HydrophobicContact CB-CD1 3.75Å; L30-L234 HydrophobicContact CD1-CD1 3.86Å; L30-L234 HydrophobicContact CG-CD1 4.46Å; L31-L234 HydrophobicContact CB-CD2 4.41Å; L31-L234 HydrophobicContact CD1-CD2 4.29Å; L38-L234 HydrophobicContact CD1-CB 4.4Å; L38-L234 HydrophobicContact CD1-CD2 4.05Å; L38-L234 HydrophobicContact CD2-CD2 3.8Å; D42-L234 PolarHBondContact OD1-N 3.45Å; F45-L234 HydrophobicContact CE1-CD1 4.15Å; F45-L234 HydrophobicContact CE2-CD1 4.1Å; F45-L234 HydrophobicContact CZ-CD1 3.87Å; F231-L234 HydrophobicContact CB-CB 4.02Å; F231-L234 PolarHBondContact O-N 3.39Å; L234-F237 PolarHBondContact O-N 3.2Å; L234-V238 WeakPolarHBondContact O-CG2 3.08Å; L234-V238 PolarHBondContact O-N 3.14Å
235R86Confident73.2Confident92 Ų9253.2 Ų53.235%0.34729%0.29SS..Hα-helixtrans-60.1-53.1176-70.6169.5179179.8-8.3111.9Y27 L228 F231 E232 G233 F237 V238 D239Y27-R235 HydrophobicContact CD2-CG 4.15Å; Y27-R235 HydrophobicContact CE2-CG 3.6Å; L228-R235 PolarHBondContact O-NH2 3.08Å; F231-R235 WeakPolarHBondContact O-CG 3.44Å; F231-R235 PolarHBondContact O-N 3.34Å; E232-R235 PolarHBondContact O-N 3.06Å; E232-R235 WeakPolarHBondContact OE2-CD 3.39Å; E232-R235 IonicContact OE2-CZ 2.72Å; E232-R235 IonicContact OE2-NH1 3.93Å; E232-R235 PolarHBondContact OE2-NH1 3.25Å; G233-R235 PolarHBondContact O-N 2.79Å; R235-F237 PolarHBondContact O-N 3.48Å; R235-V238 WeakPolarHBondContact O-CB 3.48Å; R235-V238 PolarHBondContact O-N 2.79Å; R235-D239 PolarHBondContact O-N 3.22Å
236S85.7Confident74.5Confident39 Ų3947.6 Ų47.627%0.27327%0.269SS..Hα-helixtrans-53.6-33.6178.2-55.70000112.1L49 E232 G233 H240L49-S236 WeakPolarHBondContact CD1-O 3.45Å; E232-S236 WeakPolarHBondContact O-CB 3.33Å; E232-S236 PolarHBondContact O-N 3.49Å; E232-S236 PolarHBondContact O-OG 3.36Å; G233-S236 PolarHBondContact O-N 2.93Å; S236-H240 WeakPolarHBondContact O-CB 3.44Å; S236-H240 PolarHBondContact O-N 2.93Å; S236-H240 VanDerWaalsContact O-N 3.14Å
237F89.6Confident75.4Confident0 Ų049.9 Ų49.90%027%0.266CS..Hα-helixtrans-78.3-38.3177.8179.3-103000113.7L30 F45 L49 Y67 I75 G233 L234 R235 H240 I241L30-F237 HydrophobicContact CD1-CD1 3.91Å; L30-F237 HydrophobicContact CD1-CE1 3.95Å; F45-F237 HydrophobicContact CB-CB 4.11Å; F45-F237 HydrophobicContact CD1-CB 3.69Å; F45-F237 AromaticContact CD1-CD1 3.51Å; F45-F237 HydrophobicContact CD1-CD1 3.51Å; F45-F237 AromaticContact CD1-CD2 3.89Å; F45-F237 HydrophobicContact CD1-CD2 3.89Å; F45-F237 HydrophobicContact CD1-CE1 4.02Å; F45-F237 HydrophobicContact CD1-CE2 4.36Å; F45-F237 AromaticContact CD1-CG 3.42Å; F45-F237 HydrophobicContact CD1-CG 3.42Å; F45-F237 VanDerWaalsContact CD1-CG 3.42Å; F45-F237 HydrophobicContact CD1-CZ 4.41Å; F45-F237 AromaticContact CE1-CD1 3.52Å; F45-F237 HydrophobicContact CE1-CD1 3.52Å; F45-F237 AromaticContact CE1-CE1 3.69Å; F45-F237 HydrophobicContact CE1-CE1 3.69Å; F45-F237 AromaticContact CE1-CG 3.95Å; F45-F237 HydrophobicContact CE1-CG 3.95Å; F45-F237 HydrophobicContact CE1-CZ 4.27Å; F45-F237 HydrophobicContact CG-CB 4.26Å; F45-F237 HydrophobicContact CG-CG 4.43Å; L49-F237 HydrophobicContact CD1-CB 4.38Å; L49-F237 HydrophobicContact CD2-CD2 4.33Å; Y67-F237 AromaticContact CD1-CE2 3.97Å; Y67-F237 HydrophobicContact CD1-CE2 3.97Å; Y67-F237 AromaticContact CD2-CE2 3.79Å; Y67-F237 HydrophobicContact CD2-CE2 3.79Å; Y67-F237 AromaticContact CD2-CZ 3.95Å; Y67-F237 HydrophobicContact CD2-CZ 3.95Å; Y67-F237 HydrophobicContact CE1-CE2 4.12Å; Y67-F237 AromaticContact CE2-CE2 3.97Å; Y67-F237 HydrophobicContact CE2-CE2 3.97Å; Y67-F237 HydrophobicContact CE2-CZ 4.24Å; Y67-F237 AromaticContact CG-CE2 3.79Å; Y67-F237 HydrophobicContact CG-CE2 3.79Å; Y67-F237 HydrophobicContact CG-CZ 4.29Å; I75-F237 HydrophobicContact CD1-CE1 3.93Å; I75-F237 HydrophobicContact CD1-CZ 3.76Å; I75-F237 HydrophobicContact CG2-CZ 4.24Å; G233-F237 WeakPolarHBondContact O-CB 3.1Å; G233-F237 PolarHBondContact O-N 3.43Å; G233-F237 VanDerWaalsContact O-N 3.11Å; L234-F237 PolarHBondContact O-N 3.2Å; R235-F237 PolarHBondContact O-N 3.48Å; F237-H240 PolarHBondContact O-N 3.21Å; F237-I241 HydrophobicContact CD1-CD1 4Å; F237-I241 HydrophobicContact CE1-CD1 3.42Å; F237-I241 VanDerWaalsContact CE1-CD1 3.42Å; F237-I241 HydrophobicContact CE1-CG1 4.44Å; F237-I241 HydrophobicContact CE2-CD1 4.24Å; F237-I241 HydrophobicContact CZ-CD1 3.56Å; F237-I241 HydrophobicContact CZ-CG1 4.35Å; F237-I241 PolarHBondContact O-N 3.3Å; F237-I241 VanDerWaalsContact O-N 3.08Å
238V88.8Confident75.6Confident3 Ų345.9 Ų45.92%0.01825%0.247CC..Hα-helixtrans-59.8-48171.9165.60000110.5S23 L26 Y27 L30 L234 R235 H240 I241 I242S23-V238 WeakPolarHBondContact O-CG1 3.05Å; L26-V238 HydrophobicContact CB-CG1 4.31Å; L26-V238 HydrophobicContact CD2-CG1 4.27Å; L26-V238 HydrophobicContact CD2-CG2 4.44Å; L26-V238 HydrophobicContact CG-CG1 4.45Å; L26-V238 HydrophobicContact CG-CG2 4.18Å; Y27-V238 HydrophobicContact CD2-CG2 4.18Å; L30-V238 HydrophobicContact CD1-CG2 3.92Å; L234-V238 WeakPolarHBondContact O-CG2 3.08Å; L234-V238 PolarHBondContact O-N 3.14Å; R235-V238 WeakPolarHBondContact O-CB 3.48Å; R235-V238 PolarHBondContact O-N 2.79Å; V238-H240 PolarHBondContact O-N 2.93Å; V238-I241 PolarHBondContact O-N 3.11Å; V238-I242 HydrophobicContact CG1-CD1 3.82Å; V238-I242 WeakPolarHBondContact O-CD1 3.14Å; V238-I242 WeakPolarHBondContact O-CG1 3.28Å; V238-I242 PolarHBondContact O-N 3.45Å
239D84.5Confident74.8Confident73 Ų7347.5 Ų47.539%0.3927%0.266SS..Hα-helixtrans-64.3-41.2179.3-66.7-32.9000111.4R235 I241 I242 H243R235-D239 PolarHBondContact O-N 3.22Å; D239-I241 PolarHBondContact O-N 3.07Å; D239-I242 PolarHBondContact O-N 2.87Å; D239-H243 PolarHBondContact O-N 3.45Å; D239-H243 PolarHBondContact O-ND1 3.48Å
240H85.6Confident73.9Confident36 Ų3648.1 Ų48.117%0.16726%0.263CS..Hα-helixtrans-58.7-46.3175.5175.463.7000113.1L49 Y67 S236 F237 V238 I242 Q244L49-H240 HydrophobicContact CD2-CB 3.39Å; L49-H240 WeakPolarHBondContact CD2-CD2 3.3Å; Y67-H240 AromaticContact CE1-NE2 3.75Å; Y67-H240 AromaticContact CZ-CD2 3.9Å; Y67-H240 AromaticContact CZ-NE2 3.77Å; Y67-H240 PolarHBondContact OH-CD2 3.32Å; Y67-H240 PolarHBondContact OH-NE2 3Å; S236-H240 WeakPolarHBondContact O-CB 3.44Å; S236-H240 PolarHBondContact O-N 2.93Å; S236-H240 VanDerWaalsContact O-N 3.14Å; F237-H240 PolarHBondContact O-N 3.21Å; V238-H240 PolarHBondContact O-N 2.93Å; H240-I242 VanDerWaalsContact C-N 3.27Å; H240-I242 PolarHBondContact O-N 2.98Å; H240-Q244 PolarHBondContact CE1-NE2 3.45Å; H240-Q244 WeakPolarHBondContact O-CG 3.41Å; H240-Q244 PolarHBondContact O-N 2.97Å
241I85.6Confident72.2Confident2 Ų254.6 Ų54.61%0.0128%0.281CS..Hα-helixtrans-60.8-39.1177.5-74.6175.6000111.3L26 V77 F79 F237 V238 D239 Q244 H245L26-I241 HydrophobicContact CD2-CB 4.03Å; L26-I241 HydrophobicContact CD2-CD1 4.32Å; L26-I241 HydrophobicContact CD2-CG2 3.73Å; V77-I241 HydrophobicContact CG1-CG2 4.16Å; V77-I241 HydrophobicContact CG2-CD1 3.69Å; V77-I241 HydrophobicContact CG2-CG1 4.1Å; F79-I241 HydrophobicContact CE1-CG2 4.33Å; F237-I241 HydrophobicContact CD1-CD1 4Å; F237-I241 HydrophobicContact CE1-CD1 3.42Å; F237-I241 VanDerWaalsContact CE1-CD1 3.42Å; F237-I241 HydrophobicContact CE1-CG1 4.44Å; F237-I241 HydrophobicContact CE2-CD1 4.24Å; F237-I241 HydrophobicContact CZ-CD1 3.56Å; F237-I241 HydrophobicContact CZ-CG1 4.35Å; F237-I241 PolarHBondContact O-N 3.3Å; F237-I241 VanDerWaalsContact O-N 3.08Å; V238-I241 PolarHBondContact O-N 3.11Å; D239-I241 PolarHBondContact O-N 3.07Å; I241-Q244 WeakPolarHBondContact O-CB 3.39Å; I241-Q244 PolarHBondContact O-N 3.11Å; I241-H245 PolarHBondContact O-N 3.11Å
242I81.5Confident69.6Low20 Ų2057.2 Ų57.210%0.10330%0.304CS..Hα-helixtrans-75.3-37.7-173.5-69.5168.3000111.4Q19 S23 L26 V238 D239 H240 Q244 H245Q19-I242 HydrophobicContact CG-CG2 3.5Å; S23-I242 VanDerWaalsContact CB-CD1 3.43Å; L26-I242 HydrophobicContact CD2-CD1 4.28Å; L26-I242 HydrophobicContact CD2-CG1 4.23Å; V238-I242 HydrophobicContact CG1-CD1 3.82Å; V238-I242 WeakPolarHBondContact O-CD1 3.14Å; V238-I242 WeakPolarHBondContact O-CG1 3.28Å; V238-I242 PolarHBondContact O-N 3.45Å; D239-I242 PolarHBondContact O-N 2.87Å; H240-I242 VanDerWaalsContact C-N 3.27Å; H240-I242 PolarHBondContact O-N 2.98Å; I242-Q244 PolarHBondContact O-N 2.62Å; I242-H245 WeakPolarHBondContact O-CB 3.19Å; I242-H245 PolarHBondContact O-N 3.22Å; I242-H245 VanDerWaalsContact O-N 3.08Å
243H77.9Confident67Low142 Ų14257.8 Ų57.866%0.65731%0.31SS*.Hα-helixtrans-69.7-10.1170.5-66.891.8000113.4D239D239-H243 PolarHBondContact O-N 3.45Å; D239-H243 PolarHBondContact O-ND1 3.48Å
244Q76.3Confident64.4Low39 Ų3965.6 Ų65.618%0.18235%0.351CS..THydrogen-bonded Turntrans-92.8-5.4168.5-73-165.3-15.500114.1V53 S65 Y67 F79 H240 I241 I242 P246V53-Q244 PolarHBondContact O-NE2 3.17Å; S65-Q244 PolarHBondContact OG-OE1 3.1Å; Y67-Q244 PolarHBondContact OH-OE1 3.43Å; F79-Q244 HydrophobicContact CE1-CB 4.05Å; F79-Q244 HydrophobicContact CZ-CB 3.69Å; H240-Q244 PolarHBondContact CE1-NE2 3.45Å; H240-Q244 WeakPolarHBondContact O-CG 3.41Å; H240-Q244 PolarHBondContact O-N 2.97Å; I241-Q244 WeakPolarHBondContact O-CB 3.39Å; I241-Q244 PolarHBondContact O-N 3.11Å; I242-Q244 PolarHBondContact O-N 2.62Å; Q244-P246 WeakPolarHBondContact O-CD 3.44Å
245H72Confident61.6Low25 Ų2573 Ų7312%0.11639%0.391CS..  trans-75.1125.8-173-166-76.7000112.9A10 G11 I13 F79 I241 I242 M247A10-H245 VanDerWaalsContact CB-CD2 3.5Å; A10-H245 WeakPolarHBondContact CB-CD2 3.02Å; A10-H245 PolarHBondContact O-NE2 3.3Å; G11-H245 PolarHBondContact O-NE2 3.14Å; I13-H245 WeakPolarHBondContact CD1-NE2 3.27Å; F79-H245 HydrophobicContact CD1-CB 4.3Å; F79-H245 AromaticContact CD1-CD2 3.69Å; F79-H245 HydrophobicContact CE1-CB 4.4Å; I241-H245 PolarHBondContact O-N 3.11Å; I242-H245 WeakPolarHBondContact O-CB 3.19Å; I242-H245 PolarHBondContact O-N 3.22Å; I242-H245 VanDerWaalsContact O-N 3.08Å; H245-M247 PolarHBondContact O-N 3.05Å
246P65.4Low58.9Low49 Ų4971.9 Ų71.932%0.31840%0.397SS..  trans-75.788.2172.633.5-35.1000110.6L63 F79 Q244 T248L63-P246 HydrophobicContact CD2-CB 4.37Å; L63-P246 HydrophobicContact CD2-CG 3.81Å; F79-P246 HydrophobicContact CB-CG 3.84Å; Q244-P246 WeakPolarHBondContact O-CD 3.44Å; P246-T248 PolarHBondContact O-N 2.73Å; P246-T248 VanDerWaalsContact O-N 3.12Å; P246-T248 PolarHBondContact O-OG1 3.21Å
247M56.7Low56.2Low101 Ų10177 Ų7750%0.49842%0.42SS..  trans-45.3118.6170.5-84.1-70.8179.700110.9I13 H245I13-M247 HydrophobicContact CB-SD 4.31Å; I13-M247 HydrophobicContact CG2-CE 3.65Å; I13-M247 HydrophobicContact CG2-SD 3.65Å; H245-M247 PolarHBondContact O-N 3.05Å
248T48.5Very low53.3Low45 Ų4578.5 Ų78.528%0.27643%0.43SS..  trans-109.4112.7-167.4-54.30000111N80 P246N80-T248 WeakPolarHBondContact ND2-CG2 3.13Å; N80-T248 PolarHBondContact ND2-OG1 3.39Å; P246-T248 PolarHBondContact O-N 2.73Å; P246-T248 VanDerWaalsContact O-N 3.12Å; P246-T248 PolarHBondContact O-OG1 3.21Å
249A35.5Very low50.5Low77 Ų7782.5 Ų82.564%0.63645%0.454SS*.  trans-73.9149.7176.500000113Q251A249-Q251 PolarHBondContact O-N 2.96Å
250I31.1Very low48Very low90 Ų9080.4 Ų80.446%0.46245%0.45SS..  trans-83.199.6-177.4-53.7176.9000110.7T259I250-T259 HydrophobicContact CG2-CG2 4.45Å
251Q27.2Very low45.7Very low179 Ų17983.8 Ų83.884%0.83647%0.473SS*.  trans-87.8104.9165.4-75.9-174.1-24.500110.8A249 D253A249-Q251 PolarHBondContact O-N 2.96Å; Q251-D253 PolarHBondContact O-N 2.84Å; Q251-D253 VanDerWaalsContact O-N 3.14Å
252S26.3Very low43.6Very low87 Ų8787.2 Ų87.261%0.60850%0.502SS*.  trans-86.565.9-175.8-63.20000113.2
253D27Very low42.1Very low115 Ų11587 Ų8762%0.61550%0.501SS*.  trans-79.9139175.4-161.5-8.7000111.6Q251 N255 S256Q251-D253 PolarHBondContact O-N 2.84Å; Q251-D253 VanDerWaalsContact O-N 3.14Å; D253-N255 PolarHBondContact O-N 3.03Å; D253-S256 WeakPolarHBondContact O-CB 3.35Å; D253-S256 PolarHBondContact O-N 2.92Å
254L31.2Very low40.6Very low164 Ų16483.4 Ų83.486%0.85949%0.486SS*.THydrogen-bonded Turntrans-66.7-10-165.4-111.874.5000115.2
255N31.1Very low39.6Very low156 Ų15683 Ų8383%0.83449%0.486SS*.THydrogen-bonded Turntrans-101.8-1.3176.3-58.5-73.3000113D253D253-N255 PolarHBondContact O-N 3.03Å
256S29.8Very low38.5Very low68 Ų6885.4 Ų85.448%0.47650%0.503SS..  trans-92.5122.4-177.9-1700000112D253 T258D253-S256 WeakPolarHBondContact O-CB 3.35Å; D253-S256 PolarHBondContact O-N 2.92Å; S256-T258 PolarHBondContact O-N 3.03Å
257L28.1Very low37.5Very low145 Ų14590.9 Ų90.976%0.75952%0.517SS*.  trans-96.564.2-167.1-169.375.3000112.8
258T29.7Very low37.5Very low33 Ų3388 Ų8820%0.20251%0.507CS..  trans-145.3-19.3-179.46.30000118.5R12 S256R12-T258 PolarHBondContact NH1-OG1 3.02Å; R12-T258 PolarHBondContact NH2-OG1 3.36Å; S256-T258 PolarHBondContact O-N 3.03Å
259T30.3Very low38.1Very low86 Ų8687.1 Ų87.153%0.52850%0.501SS..  trans-118114-171.4-390000111.7I250I250-T259 HydrophobicContact CG2-CG2 4.45Å
260G30.8Very low39.6Very low29 Ų2984.6 Ų84.630%0.29948%0.477SS..  trans-158.2133.4-178.300000112
261T38.3Very low41.1Very low107 Ų10782.6 Ų82.666%0.65646%0.463SS*.  trans-83.3141.6-154.543.40000115.1L263T261-L263 PolarHBondContact O-N 3.28Å; T261-L263 VanDerWaalsContact O-N 3.1Å
262A40.7Very low42.7Very low74 Ų7474.4 Ų74.461%0.61243%0.426SS*.  trans-68.8104.9173.600000110.3F128 N264F128-A262 HydrophobicContact CE2-CB 3.85Å; F128-A262 HydrophobicContact CZ-CB 4.17Å; A262-N264 PolarHBondContact O-N 2.85Å
263L50.6Low44.5Very low16 Ų1671 Ų718%0.08440%0.4CS..  trans-61.5127.4178.8-70.9166.9000110.7T261 T265 Y271 L285 M310 L314T261-L263 PolarHBondContact O-N 3.28Å; T261-L263 VanDerWaalsContact O-N 3.1Å; L263-T265 PolarHBondContact O-N 3.45Å; L263-Y271 HydrophobicContact CB-CE2 4.3Å; L263-Y271 HydrophobicContact CD2-CD1 3.87Å; L263-Y271 HydrophobicContact CD2-CD2 4.36Å; L263-Y271 HydrophobicContact CD2-CE1 3.59Å; L263-Y271 HydrophobicContact CD2-CE2 4.12Å; L263-Y271 HydrophobicContact CD2-CG 4.26Å; L263-L285 HydrophobicContact CD1-CD2 3.64Å; L263-M310 HydrophobicContact CD1-CE 3.87Å; L263-M310 HydrophobicContact CD1-CG 4.13Å; L263-M310 HydrophobicContact CD2-CE 3.43Å; L263-M310 VanDerWaalsContact CD2-CE 3.43Å; L263-M310 HydrophobicContact CD2-CG 3.96Å; L263-M310 HydrophobicContact CD2-SD 3.85Å; L263-M310 HydrophobicContact CG-CE 4.3Å; L263-M310 HydrophobicContact CG-CG 4.4Å; L263-L314 HydrophobicContact CB-CD2 4.27Å; L263-L314 HydrophobicContact CD1-CD2 3.61Å; L263-L314 HydrophobicContact CD1-CG 3.98Å
264N47.1Very low45.7Very low66 Ų6666.7 Ų66.735%0.35338%0.378SS..  trans-66.2106.8-178.7-173.9-8.2000109.9A262 T266 Y271A262-N264 PolarHBondContact O-N 2.85Å; N264-T266 WeakPolarHBondContact OD1-CB 3.31Å; N264-T266 PolarHBondContact OD1-N 2.99Å; N264-T266 PolarHBondContact OD1-OG1 3.41Å; N264-Y271 WeakPolarHBondContact CA-OH 3.37Å; N264-Y271 WeakPolarHBondContact CB-OH 3.46Å; N264-Y271 PolarHBondContact N-OH 2.99Å; N264-Y271 PolarHBondContact O-OH 3.05Å
265T54.9Low46.5Very low30 Ų3058.9 Ų58.918%0.18434%0.337CS..  trans-97.73.8172.766.80000112.7L263 R267 A287 I288 Q289L263-T265 PolarHBondContact O-N 3.45Å; T265-R267 PolarHBondContact O-N 3.23Å; T265-A287 HydrophobicContact CG2-CB 4.36Å; T265-I288 CarbonylContact O-C 3.34Å; T265-Q289 WeakPolarHBondContact O-CA 3.45Å; T265-Q289 VanDerWaalsContact O-CB 3.26Å; T265-Q289 WeakPolarHBondContact O-CB 3.37Å; T265-Q289 PolarHBondContact O-N 3.48Å
266T48.3Very low47Very low77 Ų7757.2 Ų57.247%0.47232%0.324SS..SBendtrans-77.9-2.9-175.170.70000113.6N264 W412N264-T266 WeakPolarHBondContact OD1-CB 3.31Å; N264-T266 PolarHBondContact OD1-N 2.99Å; N264-T266 PolarHBondContact OD1-OG1 3.41Å; T266-W412 WeakPolarHBondContact O-CH2 3.14Å; T266-W412 WeakPolarHBondContact O-CZ3 3.33Å
267R44.5Very low47.3Very low163 Ų16355.5 Ų55.562%0.61532%0.318SS*.SBendtrans-141.6163.5168.5-65.3-170.7180-168-0.1108.7T265 V269T265-R267 PolarHBondContact O-N 3.23Å; R267-V269 HydrophobicContact CB-CG2 4.44Å; R267-V269 PolarHBondContact O-N 3.11Å; R267-V269 VanDerWaalsContact O-N 3.15Å
268P57.8Low47.4Very low42 Ų4254.9 Ų54.927%0.27332%0.32SS..  trans-60.9112.3164.6-17.531.3000109.9A287 I288 L443P268-A287 WeakPolarHBondContact CA-O 3.46Å; P268-I288 HydrophobicContact CB-CG2 3.73Å; P268-I288 HydrophobicContact CG-CG2 3.88Å; P268-L443 HydrophobicContact CB-CD2 4.32Å
269V59.8Low47.8Very low25 Ų2555.1 Ų55.115%0.15232%0.324CS..EExtended strand (participates in β ladder)trans-127139.9178.7-1780000109.3R267 Y271 A287R267-V269 HydrophobicContact CB-CG2 4.44Å; R267-V269 PolarHBondContact O-N 3.11Å; R267-V269 VanDerWaalsContact O-N 3.15Å; V269-Y271 HydrophobicContact CB-CD2 4.47Å; V269-Y271 HydrophobicContact CB-CE2 3.84Å; V269-Y271 HydrophobicContact CG1-CD1 4.31Å; V269-Y271 HydrophobicContact CG1-CD2 3.91Å; V269-Y271 HydrophobicContact CG1-CE1 3.94Å; V269-Y271 HydrophobicContact CG1-CE2 3.49Å; V269-Y271 VanDerWaalsContact CG1-CE2 3.49Å; V269-Y271 HydrophobicContact CG1-CG 4.29Å; V269-Y271 VanDerWaalsContact CG1-CZ 3.49Å; V269-A287 PolarHBondContact N-O 3.01Å; V269-A287 PolarHBondContact O-N 2.77Å
270I66.5Low48.5Very low25 Ų2551.1 Ų51.113%0.12830%0.3CS..EExtended strand (participates in β ladder)trans-112.5101.6171.7-53.6-179.9000108.1V272 A284 L285 F286 I445 L2266I270-V272 HydrophobicContact CG2-CG2 3.93Å; I270-V272 PolarHBondContact O-N 3.03Å; I270-A284 HydrophobicContact CG2-CB 3.74Å; I270-L285 WeakPolarHBondContact CA-O 3.32Å; I270-F286 HydrophobicContact CD1-CD2 4.5Å; I270-F286 HydrophobicContact CG1-CD2 4.03Å; I270-I445 HydrophobicContact CD1-CD1 3.62Å; I270-I445 HydrophobicContact CD1-CG1 4.3Å; I270-I445 HydrophobicContact CG1-CD1 4.43Å; I270-L2266 HydrophobicContact CD1-CD1 3.88Å; I270-L2266 HydrophobicContact CG1-CD1 4.27Å
271Y64Low49.4Very low47 Ų4750.3 Ų50.318%0.18429%0.289CS..EExtended strand (participates in β ladder)trans-80.2111.9169.6-55.5-91.1000108.1L263 N264 V269 A284 L285 A287 M310L263-Y271 HydrophobicContact CB-CE2 4.3Å; L263-Y271 HydrophobicContact CD2-CD1 3.87Å; L263-Y271 HydrophobicContact CD2-CD2 4.36Å; L263-Y271 HydrophobicContact CD2-CE1 3.59Å; L263-Y271 HydrophobicContact CD2-CE2 4.12Å; L263-Y271 HydrophobicContact CD2-CG 4.26Å; N264-Y271 WeakPolarHBondContact CA-OH 3.37Å; N264-Y271 WeakPolarHBondContact CB-OH 3.46Å; N264-Y271 PolarHBondContact N-OH 2.99Å; N264-Y271 PolarHBondContact O-OH 3.05Å; V269-Y271 HydrophobicContact CB-CD2 4.47Å; V269-Y271 HydrophobicContact CB-CE2 3.84Å; V269-Y271 HydrophobicContact CG1-CD1 4.31Å; V269-Y271 HydrophobicContact CG1-CD2 3.91Å; V269-Y271 HydrophobicContact CG1-CE1 3.94Å; V269-Y271 HydrophobicContact CG1-CE2 3.49Å; V269-Y271 VanDerWaalsContact CG1-CE2 3.49Å; V269-Y271 HydrophobicContact CG1-CG 4.29Å; V269-Y271 VanDerWaalsContact CG1-CZ 3.49Å; Y271-A284 CarbonylContact O-C 3.59Å; Y271-A284 WeakPolarHBondContact O-CA 3.38Å; Y271-L285 HydrophobicContact CD2-CD2 4.01Å; Y271-L285 HydrophobicContact CD2-CG 4.44Å; Y271-L285 PolarHBondContact N-O 2.79Å; Y271-L285 PolarHBondContact O-N 2.82Å; Y271-A287 HydrophobicContact CE2-CB 4.12Å; Y271-M310 VanDerWaalsContact CB-CE 3.48Å; Y271-M310 HydrophobicContact CD1-CE 3.77Å; Y271-M310 HydrophobicContact CD2-CE 4.42Å; Y271-M310 HydrophobicContact CG-CE 3.63Å
272V59.8Low50.3Low8 Ų845.2 Ų45.25%0.04826%0.258CS..EExtended strand (participates in β ladder)trans-90146.3175.6174.60000109.6I270 A284 W2134 I2160 T2206 L2245I270-V272 HydrophobicContact CG2-CG2 3.93Å; I270-V272 PolarHBondContact O-N 3.03Å; V272-A284 HydrophobicContact CG2-CB 4.32Å; V272-W2134 HydrophobicContact CB-CZ3 4.34Å; V272-W2134 HydrophobicContact CG1-CH2 3.92Å; V272-W2134 HydrophobicContact CG1-CZ3 3.67Å; V272-W2134 HydrophobicContact CG2-CZ3 3.96Å; V272-I2160 HydrophobicContact CG1-CG2 4.35Å; V272-I2160 HydrophobicContact CG2-CD1 4.08Å; V272-T2206 HydrophobicContact CG1-CG2 3.67Å; V272-L2245 HydrophobicContact CB-CD1 3.56Å; V272-L2245 HydrophobicContact CG1-CD1 4.12Å; V272-L2245 VanDerWaalsContact O-CD1 3.23Å; V272-L2245 WeakPolarHBondContact O-CD1 3.12Å
273F63.6Low51.4Low16 Ų1641.7 Ų41.77%0.0723%0.229CC..EExtended strand (participates in β ladder)trans-125.9106.8-177.6-58.5-84.2000110.7G275 S282 C283 L285 W307 M310 V311F273-G275 PolarHBondContact O-N 2.85Å; F273-G275 VanDerWaalsContact O-N 3.13Å; F273-S282 WeakPolarHBondContact O-CA 3.39Å; F273-S282 WeakPolarHBondContact O-CB 3.49Å; F273-S282 PolarHBondContact O-OG 2.85Å; F273-C283 VanDerWaalsContact CD2-SG 3.51Å; F273-C283 PolarHBondContact N-O 3.47Å; F273-C283 PolarHBondContact O-N 3.47Å; F273-L285 HydrophobicContact CE2-CB 3.72Å; F273-L285 HydrophobicContact CZ-CB 4.21Å; F273-W307 HydrophobicContact CB-CB 3.83Å; F273-W307 HydrophobicContact CD1-CB 3.35Å; F273-W307 HydrophobicContact CD2-CB 3.56Å; F273-W307 HydrophobicContact CD2-CG 4.46Å; F273-W307 HydrophobicContact CE1-CB 3.49Å; F273-W307 VanDerWaalsContact CE1-CB 3.49Å; F273-W307 HydrophobicContact CE2-CB 3.69Å; F273-W307 HydrophobicContact CG-CB 3.34Å; F273-W307 HydrophobicContact CG-CG 4.44Å; F273-W307 HydrophobicContact CZ-CB 3.64Å; F273-M310 HydrophobicContact CD1-CE 4.42Å; F273-M310 HydrophobicContact CE1-CB 3.73Å; F273-M310 HydrophobicContact CE1-CE 3.29Å; F273-M310 HydrophobicContact CE1-CG 4.34Å; F273-M310 HydrophobicContact CE1-SD 3.72Å; F273-M310 HydrophobicContact CE2-CE 4.37Å; F273-M310 HydrophobicContact CZ-CB 4.16Å; F273-M310 HydrophobicContact CZ-CE 3.28Å; F273-M310 HydrophobicContact CZ-SD 4.29Å; F273-V311 HydrophobicContact CZ-CG2 4.17Å
274P52.3Low52.1Low23 Ų2341 Ų4115%0.14923%0.225CC..  trans-46.3115.4167-33.639.3000113.1N306 T2206 A2243P274-N306 PolarHBondContact O-ND2 3.3Å; P274-T2206 VanDerWaalsContact CB-O 3.26Å; P274-T2206 WeakPolarHBondContact CB-O 3.49Å; P274-T2206 WeakPolarHBondContact CG-O 3.16Å; P274-A2243 WeakPolarHBondContact CG-O 3.49Å
275G49.6Very low53.3Low0 Ų037.9 Ų37.90%021%0.208CC..  trans-90.394.4163.500000109.1F273 S280 S282F273-G275 PolarHBondContact O-N 2.85Å; F273-G275 VanDerWaalsContact O-N 3.13Å; G275-S280 PolarHBondContact O-OG 2.83Å; G275-S282 PolarHBondContact N-OG 3.05Å
276H41.2Very low54.2Low121 Ų12136.4 Ų36.456%0.5620%0.199SC*.  trans-78122.4178.231.3-107000112.6S280 N306H276-S280 PolarHBondContact N-OG 2.51Å; H276-S280 PolarHBondContact O-OG 3.22Å; H276-N306 PolarHBondContact CD2-ND2 3.26Å; H276-N306 PolarHBondContact CE1-ND2 2.94Å; H276-N306 PolarHBondContact ND1-ND2 2.93Å; H276-N306 PolarHBondContact NE2-ND2 3.05Å; H276-N306 PolarHBondContact NE2-OD1 2.74Å
277G36.2Very low55.2Low33 Ų3332.8 Ų32.834%0.3418%0.177SC..SBendtrans111.4-176166.300000118A279 S280G277-A279 PolarHBondContact O-N 3.16Å; G277-S280 PolarHBondContact N-OG 2.87Å; G277-S280 PolarHBondContact O-N 2.68Å; G277-S280 PolarHBondContact O-OG 3.4Å; G277-S280 VanDerWaalsContact O-OG 3.12Å
278V29.1Very low56.2Low132 Ų13225 Ų2580%0.815%0.148SC*.THydrogen-bonded Turntrans-75.429.1-160.6-153.40000114.7E2164V278-E2164 VanDerWaalsContact CG1-OE1 3.27Å; V278-E2164 WeakPolarHBondContact CG1-OE1 3.42Å
279A38.6Very low56.3Low37 Ų3726.3 Ų26.331%0.30615%0.15SC..THydrogen-bonded Turntrans-163.5-8.2179.500000114.5G277 T300 S328G277-A279 PolarHBondContact O-N 3.16Å; A279-T300 HydrophobicContact CB-CG2 4.24Å; A279-S328 WeakPolarHBondContact O-CB 3.38Å; A279-S328 PolarHBondContact O-OG 2.84Å
280S45.3Very low56.2Low3 Ų327.8 Ų27.82%0.02117%0.17CC..  trans-101108.8-16744.50000112.5G275 H276 G277G275-S280 PolarHBondContact O-OG 2.83Å; H276-S280 PolarHBondContact N-OG 2.51Å; H276-S280 PolarHBondContact O-OG 3.22Å; G277-S280 PolarHBondContact N-OG 2.87Å; G277-S280 PolarHBondContact O-N 2.68Å; G277-S280 PolarHBondContact O-OG 3.4Å; G277-S280 VanDerWaalsContact O-OG 3.12Å
281Q49.4Very low56Low11 Ų1126.9 Ų26.95%0.05117%0.165CC..  trans-59.5140.8151.8-75.3-176.4-19.100108.2S298 D324 C326 S328 S329 S2137Q281-S298 WeakPolarHBondContact O-CA 3.38Å; Q281-S298 WeakPolarHBondContact O-CB 3.41Å; Q281-D324 PolarHBondContact NE2-OD2 3.18Å; Q281-C326 PolarHBondContact NE2-SG 2.71Å; Q281-C326 PolarHBondContact OE1-SG 3.14Å; Q281-S328 PolarHBondContact N-OG 3.12Å; Q281-S329 PolarHBondContact OE1-OG 3.26Å; Q281-S2137 VanDerWaalsContact CG-OG 3.29Å; Q281-S2137 WeakPolarHBondContact CG-OG 3.44Å; Q281-S2137 PolarHBondContact NE2-OG 3.08Å
282S56.2Low56.2Low1 Ų124.9 Ų24.91%0.00716%0.158CC..  trans-67.4167164.3-64.30000109.2F273 G275 W2134 S2162 T2206F273-S282 WeakPolarHBondContact O-CA 3.39Å; F273-S282 WeakPolarHBondContact O-CB 3.49Å; F273-S282 PolarHBondContact O-OG 2.85Å; G275-S282 PolarHBondContact N-OG 3.05Å; S282-W2134 VanDerWaalsContact CB-CH2 3.44Å; S282-W2134 VanDerWaalsContact CB-CZ2 3.4Å; S282-W2134 VanDerWaalsContact O-CZ2 3.23Å; S282-W2134 WeakPolarHBondContact O-CZ2 3.44Å; S282-S2162 WeakPolarHBondContact CB-OG 3.07Å; S282-S2162 PolarHBondContact N-OG 3.31Å; S282-T2206 PolarHBondContact OG-OG1 2.72Å
283C64.5Low56.8Low0 Ų024.5 Ų24.50%016%0.156CC..EExtended strand (participates in β ladder)trans-131.1170.4167.369.60000110.4F273 L294 L295 W2134F273-C283 VanDerWaalsContact CD2-SG 3.51Å; F273-C283 PolarHBondContact N-O 3.47Å; F273-C283 PolarHBondContact O-N 3.47Å; C283-L294 HydrophobicContact CB-CD1 4.31Å; C283-L295 CarbonylContact C-O 3.41Å; C283-L295 WeakPolarHBondContact CA-O 3.5Å; C283-L295 WeakPolarHBondContact CB-O 3.22Å; C283-W2134 VanDerWaalsContact O-CH2 3.32Å; C283-W2134 WeakPolarHBondContact O-CH2 3.34Å
284A64.8Low57.3Low1 Ų123.8 Ų23.81%0.00815%0.153CC..EExtended strand (participates in β ladder)trans-127.9152.517100000110.9I270 Y271 V272 L294 L295 W2134I270-A284 HydrophobicContact CG2-CB 3.74Å; Y271-A284 CarbonylContact O-C 3.59Å; Y271-A284 WeakPolarHBondContact O-CA 3.38Å; V272-A284 HydrophobicContact CG2-CB 4.32Å; A284-L294 CarbonylContact O-C 3.6Å; A284-L294 WeakPolarHBondContact O-CA 3.49Å; A284-L295 HydrophobicContact CB-CB 4.27Å; A284-L295 HydrophobicContact CB-CD1 4.39Å; A284-L295 PolarHBondContact N-O 3Å; A284-L295 PolarHBondContact O-N 2.84Å; A284-W2134 HydrophobicContact CB-CE3 4.33Å; A284-W2134 HydrophobicContact CB-CZ3 3.79Å
285L73.2Confident58.2Low0 Ų023.5 Ų23.50%015%0.15CC..EExtended strand (participates in β ladder)trans-107.1110.6160.5172.774.7000107.9L263 I270 Y271 F273 A293 L314 L317L263-L285 HydrophobicContact CD1-CD2 3.64Å; I270-L285 WeakPolarHBondContact CA-O 3.32Å; Y271-L285 HydrophobicContact CD2-CD2 4.01Å; Y271-L285 HydrophobicContact CD2-CG 4.44Å; Y271-L285 PolarHBondContact N-O 2.79Å; Y271-L285 PolarHBondContact O-N 2.82Å; F273-L285 HydrophobicContact CE2-CB 3.72Å; F273-L285 HydrophobicContact CZ-CB 4.21Å; L285-A293 WeakPolarHBondContact CA-O 3.46Å; L285-L314 HydrophobicContact CD1-CD1 3.66Å; L285-L314 HydrophobicContact CD2-CD1 3.76Å; L285-L314 HydrophobicContact CD2-CD2 4.04Å; L285-L314 HydrophobicContact CD2-CG 4.28Å; L285-L314 HydrophobicContact CG-CD1 4.36Å; L285-L317 HydrophobicContact CD1-CD1 3.7Å
286F73.5Confident58.9Low0 Ų023.9 Ų23.90%015%0.153CC..EExtended strand (participates in β ladder)trans-81.5123.3164.6175.5-88.2000108.6I270 I288 F291 T292 A293 L295 L415 L428 L443 I445I270-F286 HydrophobicContact CD1-CD2 4.5Å; I270-F286 HydrophobicContact CG1-CD2 4.03Å; F286-I288 HydrophobicContact CE1-CB 4.46Å; F286-I288 HydrophobicContact CE1-CD1 3.9Å; F286-I288 HydrophobicContact CE1-CG1 3.88Å; F286-I288 HydrophobicContact CE1-CG2 3.86Å; F286-I288 HydrophobicContact CZ-CD1 4.46Å; F286-I288 HydrophobicContact CZ-CG2 3.76Å; F286-F291 HydrophobicContact CD1-CD1 4.32Å; F286-F291 HydrophobicContact CD1-CE1 4.19Å; F286-F291 HydrophobicContact CE1-CD1 4.35Å; F286-F291 HydrophobicContact CE1-CE1 4.44Å; F286-T292 CarbonylContact O-C 3.37Å; F286-T292 WeakPolarHBondContact O-CA 3.37Å; F286-A293 HydrophobicContact CB-CB 4.42Å; F286-A293 PolarHBondContact N-O 3.45Å; F286-A293 PolarHBondContact O-N 3.04Å; F286-L295 HydrophobicContact CB-CD1 4.19Å; F286-L415 HydrophobicContact CD1-CD2 4.35Å; F286-L415 HydrophobicContact CE1-CD1 3.72Å; F286-L415 HydrophobicContact CE1-CD2 3.78Å; F286-L415 HydrophobicContact CE1-CG 4.42Å; F286-L415 HydrophobicContact CZ-CD1 3.68Å; F286-L428 HydrophobicContact CD1-CD2 4.24Å; F286-L428 HydrophobicContact CD2-CD2 4.36Å; F286-L428 HydrophobicContact CE1-CD2 4.42Å; F286-L428 HydrophobicContact CG-CD2 4.22Å; F286-L443 HydrophobicContact CE2-CD2 4.19Å; F286-I445 HydrophobicContact CD2-CD1 3.49Å; F286-I445 VanDerWaalsContact CD2-CD1 3.49Å; F286-I445 HydrophobicContact CE2-CD1 3.73Å; F286-I445 HydrophobicContact CG-CD1 4.5Å
287A68.4Low59.8Low0 Ų018.1 Ų18.10%013%0.127CC..EExtended strand (participates in β ladder)trans-127.5134.1-178.700000111.3T265 P268 V269 Y271T265-A287 HydrophobicContact CG2-CB 4.36Å; P268-A287 WeakPolarHBondContact CA-O 3.46Å; V269-A287 PolarHBondContact N-O 3.01Å; V269-A287 PolarHBondContact O-N 2.77Å; Y271-A287 HydrophobicContact CE2-CB 4.12Å
288I66Low60.7Low0 Ų016.6 Ų16.60%011%0.111CC..EExtended strand (participates in β ladder)trans-139169.3170.948.5173.3000108.7T265 P268 F286 G290 F291 Y407 L415 W430T265-I288 CarbonylContact O-C 3.34Å; P268-I288 HydrophobicContact CB-CG2 3.73Å; P268-I288 HydrophobicContact CG-CG2 3.88Å; F286-I288 HydrophobicContact CE1-CB 4.46Å; F286-I288 HydrophobicContact CE1-CD1 3.9Å; F286-I288 HydrophobicContact CE1-CG1 3.88Å; F286-I288 HydrophobicContact CE1-CG2 3.86Å; F286-I288 HydrophobicContact CZ-CD1 4.46Å; F286-I288 HydrophobicContact CZ-CG2 3.76Å; I288-G290 VanDerWaalsContact C-N 3.32Å; I288-G290 PolarHBondContact O-N 3.48Å; I288-F291 HydrophobicContact CD1-CB 4.01Å; I288-F291 HydrophobicContact CD1-CD1 4.03Å; I288-F291 HydrophobicContact CD1-CG 4.36Å; I288-F291 HydrophobicContact CG1-CB 3.8Å; I288-F291 HydrophobicContact CG1-CD1 3.97Å; I288-F291 HydrophobicContact CG1-CG 4.36Å; I288-F291 WeakPolarHBondContact CG1-O 3.29Å; I288-F291 PolarHBondContact N-O 3.41Å; I288-F291 PolarHBondContact O-N 2.9Å; I288-F291 VanDerWaalsContact O-O 3.07Å; I288-Y407 HydrophobicContact CD1-CD1 3.5Å; I288-Y407 HydrophobicContact CD1-CE1 3.49Å; I288-Y407 VanDerWaalsContact CD1-CE1 3.49Å; I288-Y407 HydrophobicContact CD1-CG 4.32Å; I288-Y407 HydrophobicContact CG1-CE1 4.31Å; I288-L415 HydrophobicContact CD1-CB 4.37Å; I288-L415 HydrophobicContact CD1-CD2 4.27Å; I288-W430 HydrophobicContact CD1-CE3 3.91Å; I288-W430 HydrophobicContact CD1-CH2 3.8Å; I288-W430 HydrophobicContact CD1-CZ3 3.46Å; I288-W430 VanDerWaalsContact CD1-CZ3 3.46Å; I288-W430 HydrophobicContact CG2-CZ2 4.34Å
289Q60.9Low62.1Low70 Ų7011.9 Ų11.933%0.3278%0.079SC..THydrogen-bonded Turntrans-71.477.2-165.4-157.3-153.822.200114.4T265 Y407 K409 W412T265-Q289 WeakPolarHBondContact O-CA 3.45Å; T265-Q289 VanDerWaalsContact O-CB 3.26Å; T265-Q289 WeakPolarHBondContact O-CB 3.37Å; T265-Q289 PolarHBondContact O-N 3.48Å; Q289-Y407 PolarHBondContact O-OH 3.43Å; Q289-K409 PolarHBondContact O-NZ 2.94Å; Q289-W412 HydrophobicContact CB-CD2 4.41Å; Q289-W412 HydrophobicContact CB-CZ2 4.42Å; Q289-W412 VanDerWaalsContact OE1-NE1 3.12Å
290G56.4Low62.6Low55 Ų5511.5 Ų11.557%0.5677%0.073SC*.THydrogen-bonded Turntrans108.919.1-174.600000114.4I288 Y407I288-G290 VanDerWaalsContact C-N 3.32Å; I288-G290 PolarHBondContact O-N 3.48Å; G290-Y407 VanDerWaalsContact O-CE2 3.22Å; G290-Y407 WeakPolarHBondContact O-CE2 3.37Å
291F63.3Low62.8Low6 Ų615.5 Ų15.53%0.02610%0.101CC..EExtended strand (participates in β ladder)trans-149.1138.5164.5170.4-79.9000111.9F286 I288 A293 D318 V319 L406 Y407 L415F286-F291 HydrophobicContact CD1-CD1 4.32Å; F286-F291 HydrophobicContact CD1-CE1 4.19Å; F286-F291 HydrophobicContact CE1-CD1 4.35Å; F286-F291 HydrophobicContact CE1-CE1 4.44Å; I288-F291 HydrophobicContact CD1-CB 4.01Å; I288-F291 HydrophobicContact CD1-CD1 4.03Å; I288-F291 HydrophobicContact CD1-CG 4.36Å; I288-F291 HydrophobicContact CG1-CB 3.8Å; I288-F291 HydrophobicContact CG1-CD1 3.97Å; I288-F291 HydrophobicContact CG1-CG 4.36Å; I288-F291 WeakPolarHBondContact CG1-O 3.29Å; I288-F291 PolarHBondContact N-O 3.41Å; I288-F291 PolarHBondContact O-N 2.9Å; I288-F291 VanDerWaalsContact O-O 3.07Å; F291-A293 HydrophobicContact CE1-CB 3.62Å; F291-A293 HydrophobicContact CZ-CB 3.91Å; F291-D318 VanDerWaalsContact CA-OD2 3.31Å; F291-D318 WeakPolarHBondContact CA-OD2 3.44Å; F291-D318 HydrophobicContact CD2-CB 3.69Å; F291-D318 HydrophobicContact CE2-CB 3.92Å; F291-D318 HydrophobicContact CG-CB 4.35Å; F291-V319 HydrophobicContact CE2-CB 4.28Å; F291-V319 HydrophobicContact CE2-CG2 3.57Å; F291-V319 HydrophobicContact CZ-CB 3.97Å; F291-V319 HydrophobicContact CZ-CG2 3.67Å; F291-L406 HydrophobicContact CE2-CB 4.18Å; F291-L406 HydrophobicContact CZ-CB 4.22Å; F291-L406 HydrophobicContact CZ-CD1 4.31Å; F291-Y407 HydrophobicContact CB-CD1 4.18Å; F291-Y407 HydrophobicContact CB-CD2 3.42Å; F291-Y407 VanDerWaalsContact CB-CD2 3.42Å; F291-Y407 HydrophobicContact CB-CE1 4.46Å; F291-Y407 HydrophobicContact CB-CE2 3.71Å; F291-Y407 HydrophobicContact CB-CG 3.61Å; F291-Y407 HydrophobicContact CD2-CD2 4.32Å; F291-Y407 HydrophobicContact CD2-CG 4.21Å; F291-Y407 HydrophobicContact CG-CD2 4.2Å; F291-Y407 HydrophobicContact CG-CG 4.04Å; F291-L415 HydrophobicContact CD1-CD2 3.53Å; F291-L415 HydrophobicContact CE1-CD2 3.12Å; F291-L415 HydrophobicContact CE2-CD2 4.42Å; F291-L415 HydrophobicContact CG-CD2 4.36Å; F291-L415 HydrophobicContact CZ-CD2 3.63Å
292T67.3Low62.7Low6 Ų623.4 Ų23.44%0.03714%0.138CC..EExtended strand (participates in β ladder)trans-134.9128.7-175.552.30000111.5F286 L314 K316 L317 D318 V319F286-T292 CarbonylContact O-C 3.37Å; F286-T292 WeakPolarHBondContact O-CA 3.37Å; T292-L314 HydrophobicContact CG2-CD2 4.21Å; T292-K316 PolarHBondContact OG1-O 3.29Å; T292-L317 VanDerWaalsContact OG1-CA 3.28Å; T292-L317 WeakPolarHBondContact OG1-CA 3.47Å; T292-D318 PolarHBondContact N-OD2 2.89Å; T292-D318 WeakPolarHBondContact O-CA 3.45Å; T292-D318 WeakPolarHBondContact O-CB 3.24Å; T292-D318 PolarHBondContact O-N 3.36Å; T292-D318 PolarHBondContact OG1-N 3.34Å; T292-D318 PolarHBondContact OG1-OD2 2.89Å; T292-V319 PolarHBondContact O-N 3.41Å
293A72.3Confident62.5Low0 Ų026.7 Ų26.70%016%0.158CC..EExtended strand (participates in β ladder)trans-129.6119.5178.700000112.3L285 F286 F291 L295 V319 L321L285-A293 WeakPolarHBondContact CA-O 3.46Å; F286-A293 HydrophobicContact CB-CB 4.42Å; F286-A293 PolarHBondContact N-O 3.45Å; F286-A293 PolarHBondContact O-N 3.04Å; F291-A293 HydrophobicContact CE1-CB 3.62Å; F291-A293 HydrophobicContact CZ-CB 3.91Å; A293-L295 HydrophobicContact CB-CD2 3.99Å; A293-V319 WeakPolarHBondContact CA-O 3.07Å; A293-V319 HydrophobicContact CB-CB 4.03Å; A293-V319 HydrophobicContact CB-CG1 4.24Å; A293-L321 HydrophobicContact CB-CD1 4.47Å
294L75.5Confident62.2Low1 Ų132.1 Ų32.11%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-78.1123.6166.5-174.272.6000108.7C283 A284 W307 V311 L317 V319 L321 M336C283-L294 HydrophobicContact CB-CD1 4.31Å; A284-L294 CarbonylContact O-C 3.6Å; A284-L294 WeakPolarHBondContact O-CA 3.49Å; L294-W307 HydrophobicContact CD1-CD2 4.29Å; L294-W307 HydrophobicContact CD1-CE3 4.12Å; L294-W307 HydrophobicContact CD1-CZ3 4.37Å; L294-W307 HydrophobicContact CD2-CE3 4.3Å; L294-W307 HydrophobicContact CD2-CH2 3.64Å; L294-W307 HydrophobicContact CD2-CZ2 4.07Å; L294-W307 HydrophobicContact CD2-CZ3 3.74Å; L294-V311 HydrophobicContact CD1-CG2 4.5Å; L294-L317 HydrophobicContact CB-CD1 4Å; L294-L317 HydrophobicContact CB-CD2 3.76Å; L294-L317 HydrophobicContact CB-CG 4.35Å; L294-L317 HydrophobicContact CD2-CD2 4.32Å; L294-V319 PolarHBondContact N-O 3Å; L294-L321 PolarHBondContact O-N 2.99Å; L294-M336 HydrophobicContact CD2-CE 3.96Å
295L71.2Confident62Low17 Ų1732.1 Ų32.19%0.08919%0.186CC..EExtended strand (participates in β ladder)trans-111.3118.8-179.1-46.5-177.9000108.8C283 A284 F286 A293 L321 I445 M447C283-L295 CarbonylContact C-O 3.41Å; C283-L295 WeakPolarHBondContact CA-O 3.5Å; C283-L295 WeakPolarHBondContact CB-O 3.22Å; A284-L295 HydrophobicContact CB-CB 4.27Å; A284-L295 HydrophobicContact CB-CD1 4.39Å; A284-L295 PolarHBondContact N-O 3Å; A284-L295 PolarHBondContact O-N 2.84Å; F286-L295 HydrophobicContact CB-CD1 4.19Å; A293-L295 HydrophobicContact CB-CD2 3.99Å; L295-L321 HydrophobicContact CD2-CB 3.96Å; L295-L321 HydrophobicContact CD2-CD1 3.74Å; L295-L321 HydrophobicContact CD2-CG 4.49Å; L295-I445 HydrophobicContact CD1-CG2 4.47Å; L295-M447 HydrophobicContact CD2-SD 3.99Å
296G64.5Low61.2Low7 Ų734.7 Ų34.77%0.07220%0.199CC..EExtended strand (participates in β ladder)trans76.3-163.7-175.700000113.7L321 L322G296-L321 PolarHBondContact N-O 3.24Å; G296-L322 WeakPolarHBondContact O-CD2 3.31Å
297G58.6Low60.8Low0 Ų034.7 Ų34.70%020%0.199CC..  trans-170.7121.2-175.900000115.4S328 T332G297-S328 VanDerWaalsContact O-CB 3.29Å; G297-S328 WeakPolarHBondContact O-CB 3.31Å; G297-T332 WeakPolarHBondContact CA-OG1 3.48Å
298S55.5Low60.8Low2 Ų235.5 Ų35.51%0.01420%0.203CC..  trans-97.316.8-174.9900000116.7Q281 T300 W307 T332Q281-S298 WeakPolarHBondContact O-CA 3.38Å; Q281-S298 WeakPolarHBondContact O-CB 3.41Å; S298-T300 PolarHBondContact O-N 2.95Å; S298-W307 PolarHBondContact OG-NE1 3.19Å; S298-T332 PolarHBondContact N-OG1 3.41Å
299Y58.3Low60.4Low33 Ų3338.7 Ų38.713%0.12923%0.225CC..  trans-70.6131.1-173.9-169.2-119.1000112.4T303 P305 L331 T332 F335Y299-T303 VanDerWaalsContact CD2-O 3.31Å; Y299-T303 WeakPolarHBondContact CD2-O 3.43Å; Y299-T303 WeakPolarHBondContact CE2-O 3.5Å; Y299-P305 HydrophobicContact CD2-CB 4.26Å; Y299-P305 HydrophobicContact CD2-CG 3.64Å; Y299-P305 HydrophobicContact CE2-CG 4.32Å; Y299-P305 HydrophobicContact CG-CG 4.5Å; Y299-L331 HydrophobicContact CD1-CB 3.85Å; Y299-L331 HydrophobicContact CD1-CD2 4.16Å; Y299-L331 WeakPolarHBondContact CD1-O 3.14Å; Y299-L331 HydrophobicContact CG-CB 4.46Å; Y299-L331 VanDerWaalsContact O-CB 3.28Å; Y299-L331 WeakPolarHBondContact O-CB 3.46Å; Y299-T332 WeakPolarHBondContact CB-OG1 3.23Å; Y299-T332 PolarHBondContact N-OG1 3.42Å; Y299-T332 VanDerWaalsContact N-OG1 3.13Å; Y299-F335 HydrophobicContact CD1-CB 3.62Å; Y299-F335 HydrophobicContact CD2-CB 3.81Å; Y299-F335 AromaticContact CD2-CD2 3.81Å; Y299-F335 HydrophobicContact CD2-CD2 3.81Å; Y299-F335 AromaticContact CD2-CG 3.83Å; Y299-F335 HydrophobicContact CD2-CG 3.83Å; Y299-F335 HydrophobicContact CE1-CB 3.81Å; Y299-F335 HydrophobicContact CE1-CD2 4.41Å; Y299-F335 HydrophobicContact CE2-CB 3.97Å; Y299-F335 AromaticContact CE2-CD2 3.35Å; Y299-F335 HydrophobicContact CE2-CD2 3.35Å; Y299-F335 HydrophobicContact CE2-CE2 4.1Å; Y299-F335 AromaticContact CE2-CG 3.85Å; Y299-F335 HydrophobicContact CE2-CG 3.85Å; Y299-F335 HydrophobicContact CG-CB 3.61Å; Y299-F335 HydrophobicContact CG-CD2 4.48Å; Y299-F335 HydrophobicContact CG-CG 4.15Å; Y299-F335 AromaticContact CZ-CD2 3.72Å
300T49.9Very low60.4Low29 Ų2937.1 Ų37.118%0.17822%0.218CC..BIsolated β-bridgetrans-103.7150.1158.986.50000107.8A279 S298 Q302 T303A279-T300 HydrophobicContact CB-CG2 4.24Å; S298-T300 PolarHBondContact O-N 2.95Å; T300-Q302 PolarHBondContact O-N 3.17Å; T300-Q302 PolarHBondContact OG1-N 3.09Å; T300-T303 PolarHBondContact OG1-N 2.65Å; T300-T303 PolarHBondContact OG1-OG1 3.3Å
301S49.3Very low60.8Low86 Ų8634.5 Ų34.560%0.60119%0.191SC*.THydrogen-bonded Turntrans-74.320-178.570.10000114.7
302Q46.6Very low60.8Low177 Ų17737.4 Ų37.483%0.82720%0.203SC*.THydrogen-bonded Turntrans-130.8-19.5-175-61.6-174.58.200112.9T300T300-Q302 PolarHBondContact O-N 3.17Å; T300-Q302 PolarHBondContact OG1-N 3.09Å
303T52.7Low60.3Low70 Ų7039.3 Ų39.343%0.42921%0.212SC..BIsolated β-bridgetrans-128.7140.4-179.551.90000110.5Y299 T300Y299-T303 VanDerWaalsContact CD2-O 3.31Å; Y299-T303 WeakPolarHBondContact CD2-O 3.43Å; Y299-T303 WeakPolarHBondContact CE2-O 3.5Å; T300-T303 PolarHBondContact OG1-N 2.65Å; T300-T303 PolarHBondContact OG1-OG1 3.3Å
304I59.4Low59.8Low114 Ų11439.7 Ų39.759%0.58521%0.214SC*.  trans-50.7135.3160.2-73.8176.5000107.5N306 W308I304-N306 PolarHBondContact O-N 3.38Å; I304-W308 HydrophobicContact CG2-CB 3.62Å; I304-W308 VanDerWaalsContact CG2-CD1 3.44Å; I304-W308 HydrophobicContact CG2-CG 3.82Å
305P60Low58.6Low2 Ų243.1 Ų43.11%0.01324%0.236CC..  trans-61.1141.4-176.7-0.75.6000110.8Y299 W307 W308 F335Y299-P305 HydrophobicContact CD2-CB 4.26Å; Y299-P305 HydrophobicContact CD2-CG 3.64Å; Y299-P305 HydrophobicContact CE2-CG 4.32Å; Y299-P305 HydrophobicContact CG-CG 4.5Å; P305-W307 HydrophobicContact CB-CD2 3.87Å; P305-W307 HydrophobicContact CB-CG 4.08Å; P305-W307 HydrophobicContact CB-CZ2 3.68Å; P305-W307 HydrophobicContact CG-CD2 4.42Å; P305-W307 HydrophobicContact CG-CH2 4.14Å; P305-W307 HydrophobicContact CG-CZ2 3.63Å; P305-W307 PolarHBondContact O-N 3.5Å; P305-W308 HydrophobicContact CB-CB 4.3Å; P305-W308 HydrophobicContact CG-CB 4.01Å; P305-W308 WeakPolarHBondContact O-CA 3.37Å; P305-W308 WeakPolarHBondContact O-CB 3.28Å; P305-W308 PolarHBondContact O-N 3.44Å; P305-F335 VanDerWaalsContact CD-CE2 3.47Å; P305-F335 VanDerWaalsContact CD-CZ 3.41Å; P305-F335 HydrophobicContact CG-CD1 3.55Å; P305-F335 HydrophobicContact CG-CD2 4.14Å; P305-F335 HydrophobicContact CG-CE1 3.43Å; P305-F335 VanDerWaalsContact CG-CE1 3.43Å; P305-F335 HydrophobicContact CG-CE2 4.03Å; P305-F335 HydrophobicContact CG-CG 3.92Å; P305-F335 HydrophobicContact CG-CZ 3.68Å
306N56.6Low57.9Low54 Ų5445.4 Ų45.429%0.28925%0.245SC..THydrogen-bonded Turntrans-57-40.4-174.5-48.9-16.2000112.2P274 H276 I304 W308P274-N306 PolarHBondContact O-ND2 3.3Å; H276-N306 PolarHBondContact CD2-ND2 3.26Å; H276-N306 PolarHBondContact CE1-ND2 2.94Å; H276-N306 PolarHBondContact ND1-ND2 2.93Å; H276-N306 PolarHBondContact NE2-ND2 3.05Å; H276-N306 PolarHBondContact NE2-OD1 2.74Å; I304-N306 PolarHBondContact O-N 3.38Å; N306-W308 PolarHBondContact O-N 2.83Å
307W64.2Low58.2Low0 Ų045.1 Ų45.10%024%0.242CC..THydrogen-bonded Turntrans-66.9-18.4174.253.9-91.8000114.6F273 L294 S298 P305 S309 M310 V311 T332 F335 M336F273-W307 HydrophobicContact CB-CB 3.83Å; F273-W307 HydrophobicContact CD1-CB 3.35Å; F273-W307 HydrophobicContact CD2-CB 3.56Å; F273-W307 HydrophobicContact CD2-CG 4.46Å; F273-W307 HydrophobicContact CE1-CB 3.49Å; F273-W307 VanDerWaalsContact CE1-CB 3.49Å; F273-W307 HydrophobicContact CE2-CB 3.69Å; F273-W307 HydrophobicContact CG-CB 3.34Å; F273-W307 HydrophobicContact CG-CG 4.44Å; F273-W307 HydrophobicContact CZ-CB 3.64Å; L294-W307 HydrophobicContact CD1-CD2 4.29Å; L294-W307 HydrophobicContact CD1-CE3 4.12Å; L294-W307 HydrophobicContact CD1-CZ3 4.37Å; L294-W307 HydrophobicContact CD2-CE3 4.3Å; L294-W307 HydrophobicContact CD2-CH2 3.64Å; L294-W307 HydrophobicContact CD2-CZ2 4.07Å; L294-W307 HydrophobicContact CD2-CZ3 3.74Å; S298-W307 PolarHBondContact OG-NE1 3.19Å; P305-W307 HydrophobicContact CB-CD2 3.87Å; P305-W307 HydrophobicContact CB-CG 4.08Å; P305-W307 HydrophobicContact CB-CZ2 3.68Å; P305-W307 HydrophobicContact CG-CD2 4.42Å; P305-W307 HydrophobicContact CG-CH2 4.14Å; P305-W307 HydrophobicContact CG-CZ2 3.63Å; P305-W307 PolarHBondContact O-N 3.5Å; W307-S309 VanDerWaalsContact C-N 3.29Å; W307-S309 PolarHBondContact O-N 2.79Å; W307-M310 PolarHBondContact O-N 3.21Å; W307-V311 HydrophobicContact CE3-CB 3.82Å; W307-V311 HydrophobicContact CE3-CG1 4.22Å; W307-V311 HydrophobicContact CE3-CG2 3.67Å; W307-V311 HydrophobicContact CZ3-CB 4.18Å; W307-V311 HydrophobicContact CZ3-CG1 4.07Å; W307-V311 HydrophobicContact CZ3-CG2 4.3Å; W307-V311 PolarHBondContact O-N 2.81Å; W307-T332 HydrophobicContact CH2-CG2 4.29Å; W307-T332 HydrophobicContact CZ2-CG2 3.85Å; W307-F335 HydrophobicContact CH2-CD1 4.04Å; W307-F335 HydrophobicContact CH2-CE1 4.03Å; W307-F335 HydrophobicContact CZ2-CD1 4.36Å; W307-M336 HydrophobicContact CH2-SD 3.65Å; W307-M336 HydrophobicContact CZ3-SD 4.25Å
308W68.5Low58.4Low17 Ų1747 Ų476%0.06425%0.252CS..Hα-helixtrans-62.4-37.9-178.2-171.5-116.7000111.7I304 P305 N306 M310 V311 K312 F335 L339 L350I304-W308 HydrophobicContact CG2-CB 3.62Å; I304-W308 VanDerWaalsContact CG2-CD1 3.44Å; I304-W308 HydrophobicContact CG2-CG 3.82Å; P305-W308 HydrophobicContact CB-CB 4.3Å; P305-W308 HydrophobicContact CG-CB 4.01Å; P305-W308 WeakPolarHBondContact O-CA 3.37Å; P305-W308 WeakPolarHBondContact O-CB 3.28Å; P305-W308 PolarHBondContact O-N 3.44Å; N306-W308 PolarHBondContact O-N 2.83Å; W308-M310 PolarHBondContact O-N 2.98Å; W308-M310 VanDerWaalsContact O-N 3.08Å; W308-V311 HydrophobicContact CE3-CB 4.36Å; W308-V311 HydrophobicContact CE3-CG1 4.15Å; W308-V311 HydrophobicContact CZ3-CG1 3.89Å; W308-V311 PolarHBondContact O-N 2.79Å; W308-K312 HydrophobicContact CD2-CB 4.46Å; W308-K312 HydrophobicContact CZ2-CB 4.38Å; W308-K312 WeakPolarHBondContact O-CB 3.21Å; W308-K312 WeakPolarHBondContact O-CG 3.39Å; W308-K312 PolarHBondContact O-N 2.94Å; W308-F335 HydrophobicContact CB-CZ 4.42Å; W308-F335 AromaticContact CD2-CE1 3.77Å; W308-F335 HydrophobicContact CD2-CE1 3.77Å; W308-F335 AromaticContact CD2-CZ 3.6Å; W308-F335 HydrophobicContact CD2-CZ 3.6Å; W308-F335 AromaticContact CE2-CZ 3.87Å; W308-F335 AromaticContact CE3-CE1 3.62Å; W308-F335 HydrophobicContact CE3-CE1 3.62Å; W308-F335 AromaticContact CE3-CZ 3.97Å; W308-F335 HydrophobicContact CE3-CZ 3.97Å; W308-F335 HydrophobicContact CG-CE1 4.24Å; W308-F335 AromaticContact CG-CZ 3.79Å; W308-F335 HydrophobicContact CG-CZ 3.79Å; W308-F335 HydrophobicContact CZ2-CZ 4.46Å; W308-F335 HydrophobicContact CZ3-CE1 4.08Å; W308-L339 HydrophobicContact CH2-CD1 3.93Å; W308-L339 HydrophobicContact CH2-CD2 3.43Å; W308-L339 VanDerWaalsContact CH2-CD2 3.43Å; W308-L339 HydrophobicContact CH2-CG 4.31Å; W308-L339 HydrophobicContact CZ2-CD1 3.31Å; W308-L339 HydrophobicContact CZ2-CD2 3.59Å; W308-L339 HydrophobicContact CZ2-CG 4.08Å; W308-L339 HydrophobicContact CZ3-CD2 4.46Å; W308-L350 HydrophobicContact CH2-CD1 3.72Å; W308-L350 HydrophobicContact CZ3-CD1 3.76Å
309S58.7Low58.9Low67 Ų6747.5 Ų47.547%0.46926%0.255SS..Hα-helixtrans-65-10.9175.5-84.70000114.4W307 K312 H313W307-S309 VanDerWaalsContact C-N 3.29Å; W307-S309 PolarHBondContact O-N 2.79Å; S309-K312 WeakPolarHBondContact O-CE 2.96Å; S309-K312 PolarHBondContact OG-NZ 3.48Å; S309-H313 PolarHBondContact O-CD2 3.07Å; S309-H313 PolarHBondContact O-NE2 3.16Å
310M59.9Low59.4Low37 Ų3747.5 Ų47.518%0.18226%0.26CS..Hα-helixtrans-105.4-43.1173.4-140.9177.977.600111.7L263 Y271 F273 W307 W308 K312 H313L263-M310 HydrophobicContact CD1-CE 3.87Å; L263-M310 HydrophobicContact CD1-CG 4.13Å; L263-M310 HydrophobicContact CD2-CE 3.43Å; L263-M310 VanDerWaalsContact CD2-CE 3.43Å; L263-M310 HydrophobicContact CD2-CG 3.96Å; L263-M310 HydrophobicContact CD2-SD 3.85Å; L263-M310 HydrophobicContact CG-CE 4.3Å; L263-M310 HydrophobicContact CG-CG 4.4Å; Y271-M310 VanDerWaalsContact CB-CE 3.48Å; Y271-M310 HydrophobicContact CD1-CE 3.77Å; Y271-M310 HydrophobicContact CD2-CE 4.42Å; Y271-M310 HydrophobicContact CG-CE 3.63Å; F273-M310 HydrophobicContact CD1-CE 4.42Å; F273-M310 HydrophobicContact CE1-CB 3.73Å; F273-M310 HydrophobicContact CE1-CE 3.29Å; F273-M310 HydrophobicContact CE1-CG 4.34Å; F273-M310 HydrophobicContact CE1-SD 3.72Å; F273-M310 HydrophobicContact CE2-CE 4.37Å; F273-M310 HydrophobicContact CZ-CB 4.16Å; F273-M310 HydrophobicContact CZ-CE 3.28Å; F273-M310 HydrophobicContact CZ-SD 4.29Å; W307-M310 PolarHBondContact O-N 3.21Å; W308-M310 PolarHBondContact O-N 2.98Å; W308-M310 VanDerWaalsContact O-N 3.08Å; M310-K312 VanDerWaalsContact C-N 3.29Å; M310-K312 PolarHBondContact O-N 3.2Å; M310-H313 PolarHBondContact O-N 2.73Å; M310-H313 VanDerWaalsContact O-N 3.15Å
311V65.1Low60.2Low0 Ų047.3 Ų47.30%026%0.258CS..Hα-helixtrans-65.7-30.3176.2168.40000111.7F273 L294 W307 W308 H313 L314 I349F273-V311 HydrophobicContact CZ-CG2 4.17Å; L294-V311 HydrophobicContact CD1-CG2 4.5Å; W307-V311 HydrophobicContact CE3-CB 3.82Å; W307-V311 HydrophobicContact CE3-CG1 4.22Å; W307-V311 HydrophobicContact CE3-CG2 3.67Å; W307-V311 HydrophobicContact CZ3-CB 4.18Å; W307-V311 HydrophobicContact CZ3-CG1 4.07Å; W307-V311 HydrophobicContact CZ3-CG2 4.3Å; W307-V311 PolarHBondContact O-N 2.81Å; W308-V311 HydrophobicContact CE3-CB 4.36Å; W308-V311 HydrophobicContact CE3-CG1 4.15Å; W308-V311 HydrophobicContact CZ3-CG1 3.89Å; W308-V311 PolarHBondContact O-N 2.79Å; V311-H313 PolarHBondContact O-N 3.3Å; V311-L314 HydrophobicContact CB-CD1 4.47Å; V311-L314 HydrophobicContact CG1-CD1 4.26Å; V311-L314 HydrophobicContact CG2-CD1 4.27Å; V311-L314 WeakPolarHBondContact O-CB 3.33Å; V311-L314 PolarHBondContact O-N 3.35Å; V311-I349 HydrophobicContact CG1-CG2 3.98Å; V311-I349 WeakPolarHBondContact O-CG2 3.43Å
312K62.3Low61Low66 Ų6645.9 Ų45.929%0.28724%0.243SC..THydrogen-bonded Turntrans-64.3-5.1173.579.9-174.7-176.9-162.20114.5W308 S309 M310 I349W308-K312 HydrophobicContact CD2-CB 4.46Å; W308-K312 HydrophobicContact CZ2-CB 4.38Å; W308-K312 WeakPolarHBondContact O-CB 3.21Å; W308-K312 WeakPolarHBondContact O-CG 3.39Å; W308-K312 PolarHBondContact O-N 2.94Å; S309-K312 WeakPolarHBondContact O-CE 2.96Å; S309-K312 PolarHBondContact OG-NZ 3.48Å; M310-K312 VanDerWaalsContact C-N 3.29Å; M310-K312 PolarHBondContact O-N 3.2Å; K312-I349 VanDerWaalsContact CA-CD1 3.45Å; K312-I349 HydrophobicContact CB-CD1 4.45Å; K312-I349 WeakPolarHBondContact O-CD1 3.47Å
313H58.2Low61.3Low47 Ų4739.2 Ų39.222%0.21822%0.215CC..THydrogen-bonded Turntrans-114.39174.8-59.3-59.9000112.9S309 M310 V311S309-H313 PolarHBondContact O-CD2 3.07Å; S309-H313 PolarHBondContact O-NE2 3.16Å; M310-H313 PolarHBondContact O-N 2.73Å; M310-H313 VanDerWaalsContact O-N 3.15Å; V311-H313 PolarHBondContact O-N 3.3Å
314L60.6Low61.2Low8 Ų836.2 Ų36.24%0.04220%0.196CC..  trans-76.3142.1169-76.7175.4000111.2L263 L285 T292 V311 K316 L317 I349L263-L314 HydrophobicContact CB-CD2 4.27Å; L263-L314 HydrophobicContact CD1-CD2 3.61Å; L263-L314 HydrophobicContact CD1-CG 3.98Å; L285-L314 HydrophobicContact CD1-CD1 3.66Å; L285-L314 HydrophobicContact CD2-CD1 3.76Å; L285-L314 HydrophobicContact CD2-CD2 4.04Å; L285-L314 HydrophobicContact CD2-CG 4.28Å; L285-L314 HydrophobicContact CG-CD1 4.36Å; T292-L314 HydrophobicContact CG2-CD2 4.21Å; V311-L314 HydrophobicContact CB-CD1 4.47Å; V311-L314 HydrophobicContact CG1-CD1 4.26Å; V311-L314 HydrophobicContact CG2-CD1 4.27Å; V311-L314 WeakPolarHBondContact O-CB 3.33Å; V311-L314 PolarHBondContact O-N 3.35Å; L314-K316 WeakPolarHBondContact CB-O 3.33Å; L314-K316 PolarHBondContact O-N 3.48Å; L314-L317 HydrophobicContact CD1-CD1 3.96Å; L314-I349 HydrophobicContact CB-CG2 4.4Å; L314-I349 WeakPolarHBondContact O-CG1 3.44Å
315P51.1Low61Low72 Ų7238.8 Ų38.847%0.46820%0.199SC..SBendtrans-63.8-25.9172.227.1-35.4000112.6F128F128-P315 HydrophobicContact CB-CB 3.96Å; F128-P315 HydrophobicContact CD1-CB 3.84Å; F128-P315 HydrophobicContact CD1-CG 3.89Å; F128-P315 HydrophobicContact CD2-CB 4.46Å; F128-P315 HydrophobicContact CE1-CB 4.46Å; F128-P315 HydrophobicContact CE1-CG 4Å; F128-P315 HydrophobicContact CG-CB 3.85Å; F128-P315 HydrophobicContact CG-CG 4.21Å; F128-P315 HydrophobicContact CZ-CG 4.41Å
316K57.2Low60.5Low65 Ų6539.7 Ų39.728%0.28321%0.205SC..  trans-164153.8178-175.7177.6175.3-1620109.2T292 L314 D318 E352T292-K316 PolarHBondContact OG1-O 3.29Å; L314-K316 WeakPolarHBondContact CB-O 3.33Å; L314-K316 PolarHBondContact O-N 3.48Å; K316-D318 WeakPolarHBondContact CD-OD1 3.31Å; K316-D318 WeakPolarHBondContact CE-OD1 3.45Å; K316-D318 IonicContact NZ-OD1 3.9Å; K316-D318 PolarHBondContact NZ-OD1 2.58Å; K316-E352 WeakPolarHBondContact CE-OE2 3.29Å; K316-E352 IonicContact NZ-OE2 2.99Å; K316-E352 PolarHBondContact NZ-OE2 3.43Å
317L68.7Low60.1Low1 Ų141.2 Ų41.21%0.00522%0.218CC..  trans-106.9119.5153.9-163.668.3000108.6L285 T292 L294 L314 S320 M336 I349 I353L285-L317 HydrophobicContact CD1-CD1 3.7Å; T292-L317 VanDerWaalsContact OG1-CA 3.28Å; T292-L317 WeakPolarHBondContact OG1-CA 3.47Å; L294-L317 HydrophobicContact CB-CD1 4Å; L294-L317 HydrophobicContact CB-CD2 3.76Å; L294-L317 HydrophobicContact CB-CG 4.35Å; L294-L317 HydrophobicContact CD2-CD2 4.32Å; L314-L317 HydrophobicContact CD1-CD1 3.96Å; L317-S320 WeakPolarHBondContact CD2-OG 3.32Å; L317-M336 HydrophobicContact CD2-CE 3.7Å; L317-I349 HydrophobicContact CB-CG2 4.41Å; L317-I349 WeakPolarHBondContact CB-O 3.45Å; L317-I349 PolarHBondContact N-O 3.18Å; L317-I353 HydrophobicContact CB-CD1 3.85Å; L317-I353 HydrophobicContact CD2-CD1 3.78Å; L317-I353 HydrophobicContact CG-CD1 3.76Å; L317-I353 VanDerWaalsContact O-CD1 3.25Å; L317-I353 WeakPolarHBondContact O-CD1 3.38Å; L317-I353 WeakPolarHBondContact O-CG1 3.28Å
318D63.1Low59.5Low40 Ų4041.7 Ų41.721%0.21422%0.221CC..  trans-83.2-31.1-176.6-65-84.6000112.9F291 T292 K316F291-D318 VanDerWaalsContact CA-OD2 3.31Å; F291-D318 WeakPolarHBondContact CA-OD2 3.44Å; F291-D318 HydrophobicContact CD2-CB 3.69Å; F291-D318 HydrophobicContact CE2-CB 3.92Å; F291-D318 HydrophobicContact CG-CB 4.35Å; T292-D318 PolarHBondContact N-OD2 2.89Å; T292-D318 WeakPolarHBondContact O-CA 3.45Å; T292-D318 WeakPolarHBondContact O-CB 3.24Å; T292-D318 PolarHBondContact O-N 3.36Å; T292-D318 PolarHBondContact OG1-N 3.34Å; T292-D318 PolarHBondContact OG1-OD2 2.89Å; K316-D318 WeakPolarHBondContact CD-OD1 3.31Å; K316-D318 WeakPolarHBondContact CE-OD1 3.45Å; K316-D318 IonicContact NZ-OD1 3.9Å; K316-D318 PolarHBondContact NZ-OD1 2.58Å
319V66.9Low59.1Low13 Ų1341 Ų418%0.07922%0.219CC..EExtended strand (participates in β ladder)trans-144.9141.7-176.4168.40000110.9F291 T292 A293 L294 L321 L373F291-V319 HydrophobicContact CE2-CB 4.28Å; F291-V319 HydrophobicContact CE2-CG2 3.57Å; F291-V319 HydrophobicContact CZ-CB 3.97Å; F291-V319 HydrophobicContact CZ-CG2 3.67Å; T292-V319 PolarHBondContact O-N 3.41Å; A293-V319 WeakPolarHBondContact CA-O 3.07Å; A293-V319 HydrophobicContact CB-CB 4.03Å; A293-V319 HydrophobicContact CB-CG1 4.24Å; L294-V319 PolarHBondContact N-O 3Å; V319-L321 HydrophobicContact CG1-CB 4.43Å; V319-L321 HydrophobicContact CG1-CD1 3.51Å; V319-L321 HydrophobicContact CG1-CD2 4.49Å; V319-L321 HydrophobicContact CG1-CG 3.49Å; V319-L321 VanDerWaalsContact CG1-CG 3.49Å; V319-L373 HydrophobicContact CG2-CD1 3.43Å; V319-L373 VanDerWaalsContact CG2-CD1 3.43Å
320S69.5Low58.9Low33 Ų3340.5 Ų40.523%0.23121%0.211CC..EExtended strand (participates in β ladder)trans-119.3108.1162.6-70.50000109.8L317 M336L317-S320 WeakPolarHBondContact CD2-OG 3.32Å; S320-M336 VanDerWaalsContact OG-CE 3.22Å; S320-M336 WeakPolarHBondContact OG-CE 3.5Å
321L66.2Low58.9Low25 Ų2540.1 Ų40.113%0.13121%0.209CC..EExtended strand (participates in β ladder)trans-98.292.9178.8-79.9150.2000109.6A293 L294 L295 G296 V319 P323 L426 L428 M447A293-L321 HydrophobicContact CB-CD1 4.47Å; L294-L321 PolarHBondContact O-N 2.99Å; L295-L321 HydrophobicContact CD2-CB 3.96Å; L295-L321 HydrophobicContact CD2-CD1 3.74Å; L295-L321 HydrophobicContact CD2-CG 4.49Å; G296-L321 PolarHBondContact N-O 3.24Å; V319-L321 HydrophobicContact CG1-CB 4.43Å; V319-L321 HydrophobicContact CG1-CD1 3.51Å; V319-L321 HydrophobicContact CG1-CD2 4.49Å; V319-L321 HydrophobicContact CG1-CG 3.49Å; V319-L321 VanDerWaalsContact CG1-CG 3.49Å; L321-P323 VanDerWaalsContact O-CD 3.31Å; L321-P323 WeakPolarHBondContact O-CD 3.45Å; L321-L426 HydrophobicContact CD2-CD1 4.49Å; L321-L428 HydrophobicContact CD1-CD1 4.05Å; L321-M447 HydrophobicContact CB-SD 3.73Å; L321-M447 HydrophobicContact CD1-CE 3.86Å; L321-M447 HydrophobicContact CD1-SD 3.81Å; L321-M447 HydrophobicContact CD2-CE 3.91Å; L321-M447 HydrophobicContact CD2-SD 4.09Å; L321-M447 HydrophobicContact CG-CE 4.33Å; L321-M447 HydrophobicContact CG-SD 4.07Å
322L65.8Low58.8Low56 Ų5640.1 Ų40.129%0.29321%0.209SC..  trans-84.4107.7168.9-60.1176.8000108.4G296 D324 T332 Y333G296-L322 WeakPolarHBondContact O-CD2 3.31Å; L322-D324 VanDerWaalsContact C-N 3.33Å; L322-D324 PolarHBondContact O-N 3.29Å; L322-T332 HydrophobicContact CD2-CG2 4.04Å; L322-Y333 HydrophobicContact CD1-CD2 4.41Å
323P52.5Low58.8Low37 Ų3740 Ų4024%0.2421%0.207CC..  trans-77.7-19.7-170.532.3-36000112.9L321 M447 S449L321-P323 VanDerWaalsContact O-CD 3.31Å; L321-P323 WeakPolarHBondContact O-CD 3.45Å; P323-M447 HydrophobicContact CB-CB 4.44Å; P323-S449 WeakPolarHBondContact O-CA 3.43Å
324D51.4Low59Low6 Ų644.3 Ų44.33%0.03222%0.222CC..  trans-136.5175.6-179.472.223.5000112.7Q281 L322 C326 S329 V450 Y2138Q281-D324 PolarHBondContact NE2-OD2 3.18Å; L322-D324 VanDerWaalsContact C-N 3.33Å; L322-D324 PolarHBondContact O-N 3.29Å; D324-C326 VanDerWaalsContact OD1-CB 3.26Å; D324-C326 WeakPolarHBondContact OD1-CB 3.48Å; D324-C326 PolarHBondContact OD1-N 2.89Å; D324-C326 PolarHBondContact OD1-SG 2.88Å; D324-C326 WeakPolarHBondContact OD2-CB 3.37Å; D324-S329 WeakPolarHBondContact O-CB 3.28Å; D324-S329 WeakPolarHBondContact OD1-CB 3.4Å; D324-S329 PolarHBondContact OD1-OG 3.01Å; D324-V450 HydrophobicContact CB-CB 3.88Å; D324-V450 HydrophobicContact CB-CG2 3.5Å; D324-Y2138 HydrophobicContact CB-CE1 4.42Å; D324-Y2138 WeakPolarHBondContact OD2-CD1 3.31Å
325W53.6Low59.3Low169 Ų16944.6 Ų44.664%0.6422%0.222SC*.  trans-110.242.3169.7-72.183.6000110.1I330 F464W325-I330 HydrophobicContact CB-CD1 4.47Å; W325-I330 HydrophobicContact CE3-CD1 4.35Å; W325-I330 HydrophobicContact CE3-CG1 3.88Å; W325-I330 WeakPolarHBondContact O-CD1 3.37Å; W325-F464 HydrophobicContact CZ2-CD2 4.24Å
326C49.8Very low60Low21 Ų2141.5 Ų41.514%0.14220%0.202CC..SBendtrans-71.7170.2173.183.10000111.1Q281 D324 S328 S329 I330Q281-C326 PolarHBondContact NE2-SG 2.71Å; Q281-C326 PolarHBondContact OE1-SG 3.14Å; D324-C326 VanDerWaalsContact OD1-CB 3.26Å; D324-C326 WeakPolarHBondContact OD1-CB 3.48Å; D324-C326 PolarHBondContact OD1-N 2.89Å; D324-C326 PolarHBondContact OD1-SG 2.88Å; D324-C326 WeakPolarHBondContact OD2-CB 3.37Å; C326-S328 VanDerWaalsContact C-N 3.29Å; C326-S328 PolarHBondContact O-N 2.87Å; C326-S328 PolarHBondContact SG-N 3.2Å; C326-S329 PolarHBondContact O-N 3.37Å; C326-S329 PolarHBondContact SG-N 2.96Å; C326-I330 WeakPolarHBondContact O-CB 3.49Å; C326-I330 VanDerWaalsContact O-CG1 3.29Å; C326-I330 WeakPolarHBondContact O-CG1 3.26Å; C326-I330 PolarHBondContact O-N 3.49Å
327P48.5Very low60.1Low86 Ų8639.5 Ų39.556%0.55820%0.195SC*.Hα-helixtrans-53.5-43174.1-26.936.6000113I330 L331P327-I330 PolarHBondContact O-N 3.2Å; P327-L331 WeakPolarHBondContact O-CB 3.21Å; P327-L331 WeakPolarHBondContact O-CG 3.31Å; P327-L331 PolarHBondContact O-N 2.66Å
328S51.3Low59.8Low10 Ų1043.9 Ų43.97%0.0722%0.216CC..Hα-helixtrans-66.2-44.7-179.8-31.70000112.4A279 Q281 G297 C326 L331 T332A279-S328 WeakPolarHBondContact O-CB 3.38Å; A279-S328 PolarHBondContact O-OG 2.84Å; Q281-S328 PolarHBondContact N-OG 3.12Å; G297-S328 VanDerWaalsContact O-CB 3.29Å; G297-S328 WeakPolarHBondContact O-CB 3.31Å; C326-S328 VanDerWaalsContact C-N 3.29Å; C326-S328 PolarHBondContact O-N 2.87Å; C326-S328 PolarHBondContact SG-N 3.2Å; S328-L331 CarbonylContact O-C 3.13Å; S328-L331 PolarHBondContact O-N 3.23Å; S328-T332 PolarHBondContact O-N 3.07Å
329S59.7Low59.8Low2 Ų242.4 Ų42.41%0.01421%0.208CC..Hα-helixtrans-66.9-36.1173.7-65.40000112.7Q281 D324 C326 L331 Y333Q281-S329 PolarHBondContact OE1-OG 3.26Å; D324-S329 WeakPolarHBondContact O-CB 3.28Å; D324-S329 WeakPolarHBondContact OD1-CB 3.4Å; D324-S329 PolarHBondContact OD1-OG 3.01Å; C326-S329 PolarHBondContact O-N 3.37Å; C326-S329 PolarHBondContact SG-N 2.96Å; S329-L331 VanDerWaalsContact C-N 3.34Å; S329-Y333 VanDerWaalsContact O-CB 3.25Å; S329-Y333 WeakPolarHBondContact O-CB 3.28Å; S329-Y333 PolarHBondContact O-N 3.47Å
330I56.2Low59.5Low57 Ų5744.4 Ų44.429%0.29222%0.217SC..Hα-helixtrans-68.8-36.4172.5-71.6168.2000110.8W325 C326 P327 R334W325-I330 HydrophobicContact CB-CD1 4.47Å; W325-I330 HydrophobicContact CE3-CD1 4.35Å; W325-I330 HydrophobicContact CE3-CG1 3.88Å; W325-I330 WeakPolarHBondContact O-CD1 3.37Å; C326-I330 WeakPolarHBondContact O-CB 3.49Å; C326-I330 VanDerWaalsContact O-CG1 3.29Å; C326-I330 WeakPolarHBondContact O-CG1 3.26Å; C326-I330 PolarHBondContact O-N 3.49Å; P327-I330 PolarHBondContact O-N 3.2Å; I330-R334 WeakPolarHBondContact O-CB 2.95Å; I330-R334 VanDerWaalsContact O-CG 3.29Å; I330-R334 WeakPolarHBondContact O-CG 3.09Å; I330-R334 PolarHBondContact O-N 2.96Å
331L59.7Low58.7Low28 Ų2849.7 Ų49.715%0.14724%0.236CC..Hα-helixtrans-70.3-44176.4-82.8170.3000110.6Y299 P327 S328 S329 R334 F335Y299-L331 HydrophobicContact CD1-CB 3.85Å; Y299-L331 HydrophobicContact CD1-CD2 4.16Å; Y299-L331 WeakPolarHBondContact CD1-O 3.14Å; Y299-L331 HydrophobicContact CG-CB 4.46Å; Y299-L331 VanDerWaalsContact O-CB 3.28Å; Y299-L331 WeakPolarHBondContact O-CB 3.46Å; P327-L331 WeakPolarHBondContact O-CB 3.21Å; P327-L331 WeakPolarHBondContact O-CG 3.31Å; P327-L331 PolarHBondContact O-N 2.66Å; S328-L331 CarbonylContact O-C 3.13Å; S328-L331 PolarHBondContact O-N 3.23Å; S329-L331 VanDerWaalsContact C-N 3.34Å; L331-R334 CarbonylContact O-C 3.48Å; L331-R334 WeakPolarHBondContact O-CA 3.5Å; L331-R334 WeakPolarHBondContact O-CB 3.31Å; L331-R334 PolarHBondContact O-N 2.84Å; L331-R334 VanDerWaalsContact O-N 3.16Å; L331-F335 PolarHBondContact O-N 2.77Å
332T62.8Low58.2Low1 Ų150.5 Ų50.51%0.00624%0.244CC..Hα-helixtrans-66-41.9171.8-73.20000110.8G297 S298 Y299 W307 L322 S328 R334 F335 M336G297-T332 WeakPolarHBondContact CA-OG1 3.48Å; S298-T332 PolarHBondContact N-OG1 3.41Å; Y299-T332 WeakPolarHBondContact CB-OG1 3.23Å; Y299-T332 PolarHBondContact N-OG1 3.42Å; Y299-T332 VanDerWaalsContact N-OG1 3.13Å; W307-T332 HydrophobicContact CH2-CG2 4.29Å; W307-T332 HydrophobicContact CZ2-CG2 3.85Å; L322-T332 HydrophobicContact CD2-CG2 4.04Å; S328-T332 PolarHBondContact O-N 3.07Å; T332-R334 PolarHBondContact O-N 3.39Å; T332-F335 PolarHBondContact O-N 3.21Å; T332-M336 HydrophobicContact CG2-CG 3.94Å; T332-M336 WeakPolarHBondContact O-CB 3.26Å; T332-M336 WeakPolarHBondContact O-CG 3.24Å; T332-M336 PolarHBondContact O-N 3.14Å
333Y62.4Low57.1Low63 Ų6357 Ų5725%0.24727%0.273CS..Hα-helixtrans-56.9-40.8170.8177.8-106.7000111.7L322 S329 T337L322-Y333 HydrophobicContact CD1-CD2 4.41Å; S329-Y333 VanDerWaalsContact O-CB 3.25Å; S329-Y333 WeakPolarHBondContact O-CB 3.28Å; S329-Y333 PolarHBondContact O-N 3.47Å; Y333-T337 WeakPolarHBondContact CE2-OG1 3.33Å; Y333-T337 WeakPolarHBondContact O-CB 3.47Å; Y333-T337 PolarHBondContact O-N 3.15Å; Y333-T337 PolarHBondContact O-OG1 2.76Å
334R61.4Low56.8Low138 Ų13861.1 Ų61.152%0.52129%0.289SS..Hα-helixtrans-64.3-50173.2-80.3179.7-173.4-1653.5112I330 L331 T332 M336 T337 E338I330-R334 WeakPolarHBondContact O-CB 2.95Å; I330-R334 VanDerWaalsContact O-CG 3.29Å; I330-R334 WeakPolarHBondContact O-CG 3.09Å; I330-R334 PolarHBondContact O-N 2.96Å; L331-R334 CarbonylContact O-C 3.48Å; L331-R334 WeakPolarHBondContact O-CA 3.5Å; L331-R334 WeakPolarHBondContact O-CB 3.31Å; L331-R334 PolarHBondContact O-N 2.84Å; L331-R334 VanDerWaalsContact O-N 3.16Å; T332-R334 PolarHBondContact O-N 3.39Å; R334-M336 PolarHBondContact O-N 3.49Å; R334-T337 CarbonylContact O-C 3.57Å; R334-T337 WeakPolarHBondContact O-CA 3.5Å; R334-T337 PolarHBondContact O-N 2.98Å; R334-T337 VanDerWaalsContact O-N 3.1Å; R334-E338 WeakPolarHBondContact O-CA 3.17Å; R334-E338 WeakPolarHBondContact O-CB 3.13Å; R334-E338 VanDerWaalsContact O-CG 3.23Å; R334-E338 WeakPolarHBondContact O-CG 3.15Å; R334-E338 PolarHBondContact O-N 3.25Å
335F68.1Low56.5Low13 Ų1368.7 Ų68.76%0.05733%0.33CS..Hα-helixtrans-56-50.1176.2174-101.7000111.3Y299 P305 W307 W308 L331 T332 T337 E338 L339Y299-F335 HydrophobicContact CD1-CB 3.62Å; Y299-F335 HydrophobicContact CD2-CB 3.81Å; Y299-F335 AromaticContact CD2-CD2 3.81Å; Y299-F335 HydrophobicContact CD2-CD2 3.81Å; Y299-F335 AromaticContact CD2-CG 3.83Å; Y299-F335 HydrophobicContact CD2-CG 3.83Å; Y299-F335 HydrophobicContact CE1-CB 3.81Å; Y299-F335 HydrophobicContact CE1-CD2 4.41Å; Y299-F335 HydrophobicContact CE2-CB 3.97Å; Y299-F335 AromaticContact CE2-CD2 3.35Å; Y299-F335 HydrophobicContact CE2-CD2 3.35Å; Y299-F335 HydrophobicContact CE2-CE2 4.1Å; Y299-F335 AromaticContact CE2-CG 3.85Å; Y299-F335 HydrophobicContact CE2-CG 3.85Å; Y299-F335 HydrophobicContact CG-CB 3.61Å; Y299-F335 HydrophobicContact CG-CD2 4.48Å; Y299-F335 HydrophobicContact CG-CG 4.15Å; Y299-F335 AromaticContact CZ-CD2 3.72Å; P305-F335 VanDerWaalsContact CD-CE2 3.47Å; P305-F335 VanDerWaalsContact CD-CZ 3.41Å; P305-F335 HydrophobicContact CG-CD1 3.55Å; P305-F335 HydrophobicContact CG-CD2 4.14Å; P305-F335 HydrophobicContact CG-CE1 3.43Å; P305-F335 VanDerWaalsContact CG-CE1 3.43Å; P305-F335 HydrophobicContact CG-CE2 4.03Å; P305-F335 HydrophobicContact CG-CG 3.92Å; P305-F335 HydrophobicContact CG-CZ 3.68Å; W307-F335 HydrophobicContact CH2-CD1 4.04Å; W307-F335 HydrophobicContact CH2-CE1 4.03Å; W307-F335 HydrophobicContact CZ2-CD1 4.36Å; W308-F335 HydrophobicContact CB-CZ 4.42Å; W308-F335 AromaticContact CD2-CE1 3.77Å; W308-F335 HydrophobicContact CD2-CE1 3.77Å; W308-F335 AromaticContact CD2-CZ 3.6Å; W308-F335 HydrophobicContact CD2-CZ 3.6Å; W308-F335 AromaticContact CE2-CZ 3.87Å; W308-F335 AromaticContact CE3-CE1 3.62Å; W308-F335 HydrophobicContact CE3-CE1 3.62Å; W308-F335 AromaticContact CE3-CZ 3.97Å; W308-F335 HydrophobicContact CE3-CZ 3.97Å; W308-F335 HydrophobicContact CG-CE1 4.24Å; W308-F335 AromaticContact CG-CZ 3.79Å; W308-F335 HydrophobicContact CG-CZ 3.79Å; W308-F335 HydrophobicContact CZ2-CZ 4.46Å; W308-F335 HydrophobicContact CZ3-CE1 4.08Å; L331-F335 PolarHBondContact O-N 2.77Å; T332-F335 PolarHBondContact O-N 3.21Å; F335-T337 VanDerWaalsContact C-N 3.29Å; F335-T337 PolarHBondContact O-N 2.93Å; F335-E338 CarbonylContact O-C 3.56Å; F335-E338 PolarHBondContact O-N 3.42Å; F335-L339 HydrophobicContact CE1-CD1 4.31Å; F335-L339 HydrophobicContact CE2-CD1 4.13Å; F335-L339 HydrophobicContact CZ-CD1 3.71Å; F335-L339 WeakPolarHBondContact O-CB 3.36Å; F335-L339 PolarHBondContact O-N 3.31Å
336M64.4Low56Low7 Ų762.3 Ų62.33%0.03431%0.311CS..Hα-helixtrans-60.2-40.8176.6-60.3-68.6-94.600111L294 W307 L317 S320 T332 R334 L340 L350L294-M336 HydrophobicContact CD2-CE 3.96Å; W307-M336 HydrophobicContact CH2-SD 3.65Å; W307-M336 HydrophobicContact CZ3-SD 4.25Å; L317-M336 HydrophobicContact CD2-CE 3.7Å; S320-M336 VanDerWaalsContact OG-CE 3.22Å; S320-M336 WeakPolarHBondContact OG-CE 3.5Å; T332-M336 HydrophobicContact CG2-CG 3.94Å; T332-M336 WeakPolarHBondContact O-CB 3.26Å; T332-M336 WeakPolarHBondContact O-CG 3.24Å; T332-M336 PolarHBondContact O-N 3.14Å; R334-M336 PolarHBondContact O-N 3.49Å; M336-L340 VanDerWaalsContact O-CB 3.32Å; M336-L340 WeakPolarHBondContact O-CB 3.16Å; M336-L340 WeakPolarHBondContact O-CD1 3.29Å; M336-L340 WeakPolarHBondContact O-CG 3.13Å; M336-L340 PolarHBondContact O-N 2.92Å; M336-L350 HydrophobicContact CB-CD2 3.66Å; M336-L350 HydrophobicContact CE-CD1 3.87Å; M336-L350 HydrophobicContact CE-CD2 3.89Å; M336-L350 HydrophobicContact CE-CG 3.68Å; M336-L350 HydrophobicContact CG-CD2 4.2Å; M336-L350 VanDerWaalsContact O-CD2 3.29Å; M336-L350 WeakPolarHBondContact O-CD2 3.34Å; M336-L350 HydrophobicContact SD-CD1 3.92Å; M336-L350 HydrophobicContact SD-CD2 3.61Å; M336-L350 HydrophobicContact SD-CG 3.96Å
337T60.9Low55.7Low23 Ų2364 Ų6414%0.14132%0.318CS..Hα-helixtrans-77.5-22178.3-57.90000113.5Y333 R334 F335 K341Y333-T337 WeakPolarHBondContact CE2-OG1 3.33Å; Y333-T337 WeakPolarHBondContact O-CB 3.47Å; Y333-T337 PolarHBondContact O-N 3.15Å; Y333-T337 PolarHBondContact O-OG1 2.76Å; R334-T337 CarbonylContact O-C 3.57Å; R334-T337 WeakPolarHBondContact O-CA 3.5Å; R334-T337 PolarHBondContact O-N 2.98Å; R334-T337 VanDerWaalsContact O-N 3.1Å; F335-T337 VanDerWaalsContact C-N 3.29Å; F335-T337 PolarHBondContact O-N 2.93Å; T337-K341 HydrophobicContact CG2-CD 4.47Å; T337-K341 WeakPolarHBondContact O-CD 3.28Å; T337-K341 WeakPolarHBondContact O-CE 3.24Å; T337-K341 WeakPolarHBondContact O-CG 3.36Å
338E61.7Low55.5Low94 Ų9462.7 Ų62.744%0.43932%0.32SS..Hα-helixtrans-88.5-32.4177.8-77.9166.7-167.900109.6R334 F335 K341 S342R334-E338 WeakPolarHBondContact O-CA 3.17Å; R334-E338 WeakPolarHBondContact O-CB 3.13Å; R334-E338 VanDerWaalsContact O-CG 3.23Å; R334-E338 WeakPolarHBondContact O-CG 3.15Å; R334-E338 PolarHBondContact O-N 3.25Å; F335-E338 CarbonylContact O-C 3.56Å; F335-E338 PolarHBondContact O-N 3.42Å; E338-K341 CarbonylContact O-C 3.58Å; E338-K341 WeakPolarHBondContact O-CA 3.28Å; E338-K341 PolarHBondContact O-N 2.89Å; E338-S342 WeakPolarHBondContact O-CB 3.49Å; E338-S342 PolarHBondContact O-N 3.34Å; E338-S342 PolarHBondContact O-OG 3.08Å; E338-S342 VanDerWaalsContact O-OG 3.11Å
339L63.6Low55.3Low9 Ų963.1 Ų63.15%0.04732%0.321CS..Hα-helixtrans-69.1-36.5167.5-161.5116.9000111.6W308 F335 K341 S342 I347 L350W308-L339 HydrophobicContact CH2-CD1 3.93Å; W308-L339 HydrophobicContact CH2-CD2 3.43Å; W308-L339 VanDerWaalsContact CH2-CD2 3.43Å; W308-L339 HydrophobicContact CH2-CG 4.31Å; W308-L339 HydrophobicContact CZ2-CD1 3.31Å; W308-L339 HydrophobicContact CZ2-CD2 3.59Å; W308-L339 HydrophobicContact CZ2-CG 4.08Å; W308-L339 HydrophobicContact CZ3-CD2 4.46Å; F335-L339 HydrophobicContact CE1-CD1 4.31Å; F335-L339 HydrophobicContact CE2-CD1 4.13Å; F335-L339 HydrophobicContact CZ-CD1 3.71Å; F335-L339 WeakPolarHBondContact O-CB 3.36Å; F335-L339 PolarHBondContact O-N 3.31Å; L339-K341 PolarHBondContact O-N 2.89Å; L339-S342 WeakPolarHBondContact CA-OG 3.34Å; L339-S342 VanDerWaalsContact O-O 3.07Å; L339-S342 PolarHBondContact O-OG 2.77Å; L339-I347 VanDerWaalsContact O-CG1 3.28Å; L339-I347 WeakPolarHBondContact O-CG1 3.21Å; L339-L350 HydrophobicContact CD2-CD1 4.06Å; L339-L350 HydrophobicContact CD2-CD2 4.08Å
340L59.9Low54.7Low54 Ų5463.1 Ų63.128%0.28332%0.321SS..THydrogen-bonded Turntrans-71.84.7166.1-72.7168.1000114.1M336 I347 L350 L354M336-L340 VanDerWaalsContact O-CB 3.32Å; M336-L340 WeakPolarHBondContact O-CB 3.16Å; M336-L340 WeakPolarHBondContact O-CD1 3.29Å; M336-L340 WeakPolarHBondContact O-CG 3.13Å; M336-L340 PolarHBondContact O-N 2.92Å; L340-I347 HydrophobicContact CD2-CG2 4.31Å; L340-L350 HydrophobicContact CD1-CB 4.47Å; L340-L350 HydrophobicContact CD1-CD2 4.09Å; L340-L350 HydrophobicContact CD2-CB 3.99Å; L340-L350 HydrophobicContact CG-CB 4.2Å; L340-L350 HydrophobicContact CG-CD2 3.89Å; L340-L354 HydrophobicContact CD1-CB 4.09Å; L340-L354 HydrophobicContact CD1-CD1 3.59Å; L340-L354 HydrophobicContact CD1-CG 4.43Å
341K53.7Low53.5Low144 Ų14461.8 Ų61.863%0.62632%0.321SS*.THydrogen-bonded Turntrans-127-25.5176.1-75.4168.8-169.7165.30113.9T337 E338 L339T337-K341 HydrophobicContact CG2-CD 4.47Å; T337-K341 WeakPolarHBondContact O-CD 3.28Å; T337-K341 WeakPolarHBondContact O-CE 3.24Å; T337-K341 WeakPolarHBondContact O-CG 3.36Å; E338-K341 CarbonylContact O-C 3.58Å; E338-K341 WeakPolarHBondContact O-CA 3.28Å; E338-K341 PolarHBondContact O-N 2.89Å; L339-K341 PolarHBondContact O-N 2.89Å
342S54.1Low52.2Low42 Ų4267.1 Ų67.129%0.29435%0.345SS..SBendtrans-79.1116.8167.857.90000106.8E338 L339 Q344 I347E338-S342 WeakPolarHBondContact O-CB 3.49Å; E338-S342 PolarHBondContact O-N 3.34Å; E338-S342 PolarHBondContact O-OG 3.08Å; E338-S342 VanDerWaalsContact O-OG 3.11Å; L339-S342 WeakPolarHBondContact CA-OG 3.34Å; L339-S342 VanDerWaalsContact O-O 3.07Å; L339-S342 PolarHBondContact O-OG 2.77Å; S342-Q344 PolarHBondContact O-N 3.12Å; S342-I347 WeakPolarHBondContact O-CD1 3.47Å
343E44.3Very low50.7Low192 Ų19269.2 Ų69.290%0.89736%0.356SS*.  trans-73.869.9-179.7-66159.4151.600109.1
344Q45.1Very low49.2Very low124 Ų12468.1 Ų68.158%0.57935%0.354SS*.  trans-125.7130.8178.6-67.4-171.6-53.700108.9S342 S346 I347S342-Q344 PolarHBondContact O-N 3.12Å; Q344-S346 PolarHBondContact O-N 3.21Å; Q344-I347 WeakPolarHBondContact O-CG1 3.24Å; Q344-I347 PolarHBondContact O-N 3.22Å
345D45.1Very low47.6Very low166 Ų16665.8 Ų65.889%0.88836%0.355SS*.G310 helixtrans-59.5-14.8-159.7-58.6-76.4000116.9I347D345-I347 PolarHBondContact O-N 3.29Å
346S44Very low45.6Very low34 Ų3467.3 Ų67.324%0.23837%0.366CS..G310 helixtrans-59.4-5.3170.766.20000115.8Q344 G348 I349Q344-S346 PolarHBondContact O-N 3.21Å; S346-G348 VanDerWaalsContact C-N 3.26Å; S346-G348 PolarHBondContact O-N 3.13Å; S346-I349 PolarHBondContact O-N 3.4Å
347I43.2Very low43.9Very low57 Ų5770.7 Ų70.729%0.29239%0.389SS..G310 helixtrans-53.7-36174-74.6158.4000113.4L339 L340 S342 Q344 D345 I349 L350 G351L339-I347 VanDerWaalsContact O-CG1 3.28Å; L339-I347 WeakPolarHBondContact O-CG1 3.21Å; L340-I347 HydrophobicContact CD2-CG2 4.31Å; S342-I347 WeakPolarHBondContact O-CD1 3.47Å; Q344-I347 WeakPolarHBondContact O-CG1 3.24Å; Q344-I347 PolarHBondContact O-N 3.22Å; D345-I347 PolarHBondContact O-N 3.29Å; I347-I349 PolarHBondContact O-N 2.93Å; I347-L350 PolarHBondContact O-N 3.05Å; I347-G351 PolarHBondContact O-N 3.18Å
348G42.9Very low42.3Very low58 Ų5873.2 Ų73.260%0.59842%0.419SS*.G310 helixtrans-55.5-28.5-173.600000113.9S346 L350S346-G348 VanDerWaalsContact C-N 3.26Å; S346-G348 PolarHBondContact O-N 3.13Å; G348-L350 VanDerWaalsContact C-N 3.33Å; G348-L350 PolarHBondContact O-N 3.44Å
349I48.2Very low40.7Very low19 Ų1975.4 Ų75.410%0.09743%0.434CS..G310 helixtrans-74.5-24.3-177.3-59.8177.2000111.7V311 K312 L314 L317 S346 I347V311-I349 HydrophobicContact CG1-CG2 3.98Å; V311-I349 WeakPolarHBondContact O-CG2 3.43Å; K312-I349 VanDerWaalsContact CA-CD1 3.45Å; K312-I349 HydrophobicContact CB-CD1 4.45Å; K312-I349 WeakPolarHBondContact O-CD1 3.47Å; L314-I349 HydrophobicContact CB-CG2 4.4Å; L314-I349 WeakPolarHBondContact O-CG1 3.44Å; L317-I349 HydrophobicContact CB-CG2 4.41Å; L317-I349 WeakPolarHBondContact CB-O 3.45Å; L317-I349 PolarHBondContact N-O 3.18Å; S346-I349 PolarHBondContact O-N 3.4Å; I347-I349 PolarHBondContact O-N 2.93Å
350L46.6Very low39Very low2 Ų282.7 Ų82.71%0.0147%0.473CS..THydrogen-bonded Turntrans-102.6-16.2179.2-94.471.1000114.5W308 M336 L339 L340 I347 G348 E352 I353W308-L350 HydrophobicContact CH2-CD1 3.72Å; W308-L350 HydrophobicContact CZ3-CD1 3.76Å; M336-L350 HydrophobicContact CB-CD2 3.66Å; M336-L350 HydrophobicContact CE-CD1 3.87Å; M336-L350 HydrophobicContact CE-CD2 3.89Å; M336-L350 HydrophobicContact CE-CG 3.68Å; M336-L350 HydrophobicContact CG-CD2 4.2Å; M336-L350 VanDerWaalsContact O-CD2 3.29Å; M336-L350 WeakPolarHBondContact O-CD2 3.34Å; M336-L350 HydrophobicContact SD-CD1 3.92Å; M336-L350 HydrophobicContact SD-CD2 3.61Å; M336-L350 HydrophobicContact SD-CG 3.96Å; L339-L350 HydrophobicContact CD2-CD1 4.06Å; L339-L350 HydrophobicContact CD2-CD2 4.08Å; L340-L350 HydrophobicContact CD1-CB 4.47Å; L340-L350 HydrophobicContact CD1-CD2 4.09Å; L340-L350 HydrophobicContact CD2-CB 3.99Å; L340-L350 HydrophobicContact CG-CB 4.2Å; L340-L350 HydrophobicContact CG-CD2 3.89Å; I347-L350 PolarHBondContact O-N 3.05Å; G348-L350 VanDerWaalsContact C-N 3.33Å; G348-L350 PolarHBondContact O-N 3.44Å; L350-E352 VanDerWaalsContact C-N 3.31Å; L350-E352 PolarHBondContact O-N 3.38Å; L350-E352 VanDerWaalsContact O-N 3.07Å; L350-I353 PolarHBondContact O-N 3.45Å
351G32.3Very low37.3Very low29 Ų2985.6 Ų85.630%0.29950%0.498SS..THydrogen-bonded Turntrans-56.1-34.9-153.700000116.4I347I347-G351 PolarHBondContact O-N 3.18Å
352E32Very low36Very low141 Ų14184.5 Ų84.566%0.65951%0.508SS*.THydrogen-bonded Turntrans-88.1-15.2-173.5-62.2-161149.800115K316 L350 L354K316-E352 WeakPolarHBondContact CE-OE2 3.29Å; K316-E352 IonicContact NZ-OE2 2.99Å; K316-E352 PolarHBondContact NZ-OE2 3.43Å; L350-E352 VanDerWaalsContact C-N 3.31Å; L350-E352 PolarHBondContact O-N 3.38Å; L350-E352 VanDerWaalsContact O-N 3.07Å; E352-L354 PolarHBondContact O-N 3.22Å
353I31.2Very low34.8Very low44 Ų4488.1 Ų88.123%0.22653%0.529CS..THydrogen-bonded Turntrans-74.8-29.7-171.2-61167.6000112.5L317 L350L317-I353 HydrophobicContact CB-CD1 3.85Å; L317-I353 HydrophobicContact CD2-CD1 3.78Å; L317-I353 HydrophobicContact CG-CD1 3.76Å; L317-I353 VanDerWaalsContact O-CD1 3.25Å; L317-I353 WeakPolarHBondContact O-CD1 3.38Å; L317-I353 WeakPolarHBondContact O-CG1 3.28Å; L350-I353 PolarHBondContact O-N 3.45Å
354L30.7Very low33.9Very low40 Ų4087.1 Ų87.121%0.20952%0.524CS..SBendtrans-121.45.2-163.5-73.1170.9000115.4L340 E352L340-L354 HydrophobicContact CD1-CB 4.09Å; L340-L354 HydrophobicContact CD1-CD1 3.59Å; L340-L354 HydrophobicContact CD1-CG 4.43Å; E352-L354 PolarHBondContact O-N 3.22Å
355V27.9Very low32.9Very low90 Ų9084.4 Ų84.455%0.54553%0.529SS..  trans-120.8105.8-177.5-173.70000111.8L474V355-L474 HydrophobicContact CG1-CD2 4.35Å
356P25.5Very low32Very low44 Ų4485.2 Ų85.229%0.28653%0.533SS..PPolyproline II helixtrans-65.2140.5169.4-21.433.7000112L474P356-L474 HydrophobicContact CB-CD1 4.42Å; P356-L474 HydrophobicContact CG-CD1 3.82Å
357P28.2Very low31Very low79 Ų7987.7 Ų87.751%0.51355%0.55SS..PPolyproline II helixtrans-71.1142.3-175.528.1-35.4000113.4I374P357-I374 HydrophobicContact CG-CD1 3.73Å
358G28.2Very low30.2Very low75 Ų7592.1 Ų92.177%0.77357%0.574SS**PPolyproline II helixtrans-95125.3170.400000111.7
359N27.3Very low29.4Very low141 Ų14197.2 Ų97.275%0.75459%0.586SS**PPolyproline II helixtrans-84.5144.2-174.2-59.1-18.7000112.9
360N27.8Very low28.2Very low161 Ų161101.8 Ų101.886%0.86162%0.619SS**  trans-173.3131134.7-90.6-31.7000113.4
361S25.5Very low27.2Very low116 Ų116104.9 Ų104.981%0.81164%0.639SS**  trans52.898.116063.20000122.1
362S26.7Very low26.9Very low121 Ų121106.3 Ų106.385%0.84665%0.653SS**  175.3153.1108.261.30000111.2
363T27.2Very low26.7Very low117 Ų117102.9 Ų102.972%0.71864%0.639SS**  trans-117174.1-179.5680000110.8
364E26.6Very low26.5Very low172 Ų172105.1 Ų105.180%0.80465%0.65SS**  cis-158.5153.723.4-158.475.8-104.800111.6
365G23.7Very low26.3Very low66 Ų66106.3 Ų106.368%0.6866%0.657SS**  trans99.680.3145.700000120.9
366L26.8Very low26.2Very low184 Ų184106.3 Ų106.396%0.96366%0.657SS**  trans-166.4154.7131.6-105.3170000109.3
367S23.3Very low26.2Very low86 Ų86107.8 Ų107.860%0.60167%0.667SS**  trans-117.4163.8-167.765.10000115
368D24.9Very low26Very low150 Ų150108.5 Ų108.580%0.80267%0.671SS**  trans72.747.3158.4-48.6-46.7000119.1
369I27.1Very low25.9Very low164 Ų164109.8 Ų109.884%0.84167%0.668SS**  trans-125.6119.9153.7-56.2-178.7000109.5
370S23.6Very low25.9Very low115 Ų115111.6 Ų111.680%0.80468%0.677SS**  trans-130.384.6-171.6165.60000111.4
371T25.4Very low25.9Very low68 Ų68111.5 Ų111.542%0.41768%0.675SS.*  trans-155.3118.71726.50000110.1V405T371-V405 HydrophobicContact CG2-CG1 3.79Å
372G26.1Very low25.8Very low58 Ų58112.4 Ų112.460%0.59868%0.681SS**  trans157118.2-175.400000110.4I374G372-I374 PolarHBondContact O-N 3.03Å
373L27.2Very low25.7Very low69 Ų69108.9 Ų108.936%0.36166%0.664SS.*  trans-83.945.4-157.5-80151.4000115.9V319 L375 V404 L406V319-L373 HydrophobicContact CG2-CD1 3.43Å; V319-L373 VanDerWaalsContact CG2-CD1 3.43Å; L373-L375 PolarHBondContact O-N 3.35Å; L373-L375 VanDerWaalsContact O-N 3.07Å; L373-V404 HydrophobicContact CD2-CG1 4Å; L373-L406 HydrophobicContact CD1-CB 4.09Å; L373-L406 HydrophobicContact CD1-CD2 3.6Å; L373-L406 HydrophobicContact CD1-CG 4.4Å; L373-L406 HydrophobicContact CD2-CD2 3.72Å; L373-L406 HydrophobicContact CG-CD2 4.24Å
374I26.6Very low25.6Very low91 Ų91109.6 Ų109.647%0.46767%0.671SS.*  trans-74.697.3164.4-48.1165.9000107.9P357 G372 T376P357-I374 HydrophobicContact CG-CD1 3.73Å; G372-I374 PolarHBondContact O-N 3.03Å; I374-T376 HydrophobicContact CG2-CG2 3.72Å; I374-T376 VanDerWaalsContact CG2-OG1 3.32Å; I374-T376 WeakPolarHBondContact CG2-OG1 3.38Å; I374-T376 PolarHBondContact O-N 3.05Å; I374-T376 PolarHBondContact O-OG1 3.11Å
375L26.8Very low25.5Very low65 Ų65109.5 Ų109.534%0.3467%0.67SS.*  trans-74.341.8176.5-71.2169.7000113.3L373 L461 I465L373-L375 PolarHBondContact O-N 3.35Å; L373-L375 VanDerWaalsContact O-N 3.07Å; L375-L461 HydrophobicContact CD1-CD1 3.88Å; L375-L461 HydrophobicContact CD1-CD2 4.45Å; L375-L461 HydrophobicContact CD1-CG 4.33Å; L375-I465 HydrophobicContact CB-CD1 3.66Å; L375-I465 HydrophobicContact CB-CG1 3.8Å; L375-I465 HydrophobicContact CD1-CD1 4.17Å; L375-I465 HydrophobicContact CD1-CG1 4.31Å; L375-I465 HydrophobicContact CG-CD1 4.44Å; L375-I465 WeakPolarHBondContact O-CG2 3.48Å
376T26.5Very low25.7Very low90 Ų90114.1 Ų114.155%0.55267%0.673SS**  trans-76131.3169.137.50000111I374I374-T376 HydrophobicContact CG2-CG2 3.72Å; I374-T376 VanDerWaalsContact CG2-OG1 3.32Å; I374-T376 WeakPolarHBondContact CG2-OG1 3.38Å; I374-T376 PolarHBondContact O-N 3.05Å; I374-T376 PolarHBondContact O-OG1 3.11Å
377P24.6Very low25.7Very low76 Ų76106 Ų10649%0.49464%0.635SS.*  trans-62.9139.7174.1-21.733.1000112.1S379 A390P377-S379 PolarHBondContact O-N 3.18Å; P377-S379 VanDerWaalsContact O-N 3.17Å; P377-A390 HydrophobicContact CG-CB 4.48Å
378P23.5Very low26.1Very low93 Ų93106.8 Ų106.860%0.60464%0.636SS**  trans-72.2110.117728.8-33.7000110.4
379S26.3Very low26.6Very low102 Ų102101.7 Ų101.771%0.71361%0.606SS**  trans-150.372.5175670000113.5P377P377-S379 PolarHBondContact O-N 3.18Å; P377-S379 VanDerWaalsContact O-N 3.17Å
380L27.2Very low26.7Very low180 Ų18096.6 Ų96.694%0.94259%0.588SS**  trans-175.354.6141.5-100.6166.2000113.3
381I28.1Very low26.9Very low159 Ų15995.1 Ų95.182%0.81558%0.577SS**SBendtrans-115136.5157.7-61.1178.1000107.4G383I381-G383 VanDerWaalsContact C-N 3.27Å; I381-G383 PolarHBondContact O-N 2.94Å
382S23.8Very low26.9Very low135 Ų13595.3 Ų95.394%0.94458%0.582SS**SBendtrans-79.271.5-179.560.10000112
383G25Very low27Very low46 Ų4698.2 Ų98.247%0.47459%0.593SS.*SBendtrans-162.7153.217600000111.6I381 H385I381-G383 VanDerWaalsContact C-N 3.27Å; I381-G383 PolarHBondContact O-N 2.94Å; G383-H385 PolarHBondContact O-N 2.66Å
384P24.4Very low27.1Very low133 Ų133102.7 Ų102.786%0.86462%0.617SS**  trans-82.380.7-171.133.6-36000112.8
385H25.6Very low27.1Very low169 Ų169103.7 Ų103.778%0.78263%0.627SS**  trans-120.590.8164.5-85.6-96.3000109.9G383G383-H385 PolarHBondContact O-N 2.66Å
386E27.2Very low27.4Very low163 Ų163106.8 Ų106.876%0.76265%0.649SS**  trans-68.4135.1169.7-67.9-175.5110.900109.9T388E386-T388 PolarHBondContact O-N 2.64Å
387G26.9Very low27.7Very low15 Ų15108.3 Ų108.316%0.15565%0.654CS.*  trans-64.7122.8-163.400000114.8W389 A390G387-W389 PolarHBondContact O-N 3.05Å; G387-A390 PolarHBondContact O-N 2.88Å
388T32Very low28.3Very low101 Ų101112.8 Ų112.862%0.6267%0.674SS**THydrogen-bonded Turntrans-44.9-25-172.3-44.20000116.7E386 S402E386-T388 PolarHBondContact O-N 2.64Å; T388-S402 WeakPolarHBondContact CG2-OG 3.47Å
389W34.7Very low29.2Very low44 Ų44113.3 Ų113.317%0.16768%0.676CS.*THydrogen-bonded Turntrans-126.10.2-177.5-76.879.7000114.7G387 P401 S402 V404 P419 V458 L461G387-W389 PolarHBondContact O-N 3.05Å; W389-P401 HydrophobicContact CH2-CB 4.46Å; W389-P401 HydrophobicContact CZ2-CB 4.24Å; W389-S402 PolarHBondContact NE1-O 3.19Å; W389-V404 HydrophobicContact CD2-CG2 4.42Å; W389-V404 HydrophobicContact CZ2-CG2 3.7Å; W389-V404 VanDerWaalsContact NE1-CG2 3.27Å; W389-P419 HydrophobicContact CH2-CB 3.91Å; W389-P419 HydrophobicContact CH2-CG 3.41Å; W389-P419 VanDerWaalsContact CH2-CG 3.41Å; W389-P419 HydrophobicContact CZ2-CG 4.06Å; W389-P419 HydrophobicContact CZ3-CB 4.3Å; W389-P419 HydrophobicContact CZ3-CG 4.02Å; W389-V458 HydrophobicContact CE3-CG2 4.25Å; W389-V458 HydrophobicContact CZ3-CG2 4.35Å; W389-V458 WeakPolarHBondContact O-CG1 3.26Å; W389-L461 HydrophobicContact CE3-CD2 3.95Å; W389-L461 HydrophobicContact CZ3-CD2 4.13Å
390A29.4Very low30.3Very low57 Ų57112.7 Ų112.747%0.47166%0.663SS.*THydrogen-bonded Turntrans-137.310.5-162.500000117.1P377 G387P377-A390 HydrophobicContact CG-CB 4.48Å; G387-A390 PolarHBondContact O-N 2.88Å
391S27.5Very low31.2Very low83 Ų83105.4 Ų105.458%0.5863%0.627SS**  trans-158.9157.1168.2-103.50000111.2
392S26.6Very low32.1Very low73 Ų73101.2 Ų101.251%0.5161%0.612SS.*  cis-165.4132.4-28.1480000109.7N394S392-N394 PolarHBondContact O-N 2.79Å
393S27.9Very low33.8Very low118 Ų11896.8 Ų96.883%0.82558%0.581SS**  trans37.967.8155.860.50000118.2
394N28.7Very low35.5Very low163 Ų16396.2 Ų96.287%0.87257%0.568SS**  trans-142.7121156.5-96.9-45.1000110.8S392S392-N394 PolarHBondContact O-N 2.79Å
395T27.2Very low37.5Very low112 Ų11292.1 Ų92.169%0.68754%0.54SS*.  trans-87.4116.7179.348.70000111
396T31.9Very low39Very low130 Ų13084.4 Ų84.480%0.79851%0.505SS*.  trans179.9-16.6146.140.80000115.7
397N33.6Very low40.4Very low123 Ų12377.9 Ų77.966%0.65847%0.473SS*.  trans-110.6123.3-168.8-66.413.1000113.2T399N397-T399 PolarHBondContact O-N 3.08Å
398D37.5Very low41.8Very low169 Ų16979.4 Ų79.490%0.90448%0.482SS*.  trans-75.329.8175.5-58.2-67.2000114.1I400D398-I400 PolarHBondContact O-N 3.01Å
399T40.9Very low42.6Very low105 Ų10578 Ų7864%0.64447%0.467SS*.  trans-71.9112.917734.30000110.6N397N397-T399 PolarHBondContact O-N 3.08Å
400I50.2Low43.1Very low89 Ų8983.8 Ų83.846%0.45650%0.5SS..PPolyproline II helixtrans-51.5128.2164.8-60172000108.2D398 S402 Q418 P419D398-I400 PolarHBondContact O-N 3.01Å; I400-S402 PolarHBondContact O-N 3.33Å; I400-Q418 HydrophobicContact CG2-CG 3.98Å; I400-P419 HydrophobicContact CG2-CG 4.41Å; I400-P419 WeakPolarHBondContact CG2-O 3.34Å
401P46.9Very low43.9Very low27 Ų2783 Ų8318%0.17550%0.498CS..PPolyproline II helixtrans-53135.2174-23.327.7000111.4W389 S403 P419W389-P401 HydrophobicContact CH2-CB 4.46Å; W389-P401 HydrophobicContact CZ2-CB 4.24Å; P401-S403 PolarHBondContact O-N 3.38Å; P401-P419 HydrophobicContact CB-CG 3.7Å; P401-P419 HydrophobicContact CG-CG 3.71Å; P401-P419 WeakPolarHBondContact O-CD 3.37Å
402S45.8Very low45Very low71 Ų7182.8 Ų82.850%0.49748%0.484SS..PPolyproline II helixtrans-59.4136.7-179.453.20000110.9T388 W389 I400T388-S402 WeakPolarHBondContact CG2-OG 3.47Å; W389-S402 PolarHBondContact NE1-O 3.19Å; I400-S402 PolarHBondContact O-N 3.33Å
403S61Low46.7Very low42 Ų4279.3 Ų79.329%0.29446%0.461SS..PPolyproline II helixtrans-55.8141.3-178.539.80000112.5P401 L417P401-S403 PolarHBondContact O-N 3.38Å; S403-L417 WeakPolarHBondContact CA-O 3.32Å
404V59.9Low48.5Very low33 Ų3376.5 Ų76.520%0.244%0.435CS..EExtended strand (participates in β ladder)trans-88.5118.9170.8177.20000107.7L373 W389 L406 K416 L417L373-V404 HydrophobicContact CD2-CG1 4Å; W389-V404 HydrophobicContact CD2-CG2 4.42Å; W389-V404 HydrophobicContact CZ2-CG2 3.7Å; W389-V404 VanDerWaalsContact NE1-CG2 3.27Å; V404-L406 HydrophobicContact CG1-CD2 4.31Å; V404-L406 PolarHBondContact O-N 3.5Å; V404-L406 VanDerWaalsContact O-N 3.08Å; V404-K416 CarbonylContact O-C 3.51Å; V404-K416 WeakPolarHBondContact O-CA 3.2Å; V404-L417 HydrophobicContact CB-CB 4.45Å; V404-L417 PolarHBondContact N-O 3.13Å; V404-L417 PolarHBondContact O-N 2.75Å
405V65.2Low50.2Low47 Ų4768.8 Ų68.829%0.28539%0.393SS..EExtended strand (participates in β ladder)trans-64.8110.1165.8-179.90000107.4T371 Y407 L415 K416T371-V405 HydrophobicContact CG2-CG1 3.79Å; V405-Y407 VanDerWaalsContact CG1-O 3.3Å; V405-Y407 WeakPolarHBondContact CG1-O 3.11Å; V405-L415 CarbonylContact C-O 3.53Å; V405-L415 WeakPolarHBondContact CA-O 3.43Å; V405-K416 HydrophobicContact CG2-CG 3.97Å
406L58.8Low52.1Low8 Ų864.5 Ų64.54%0.04237%0.365CS..EExtended strand (participates in β ladder)trans-73.9-38.1173.8-57.9-176.8000110.3F291 L373 V404 L415 L417 L428F291-L406 HydrophobicContact CE2-CB 4.18Å; F291-L406 HydrophobicContact CZ-CB 4.22Å; F291-L406 HydrophobicContact CZ-CD1 4.31Å; L373-L406 HydrophobicContact CD1-CB 4.09Å; L373-L406 HydrophobicContact CD1-CD2 3.6Å; L373-L406 HydrophobicContact CD1-CG 4.4Å; L373-L406 HydrophobicContact CD2-CD2 3.72Å; L373-L406 HydrophobicContact CG-CD2 4.24Å; V404-L406 HydrophobicContact CG1-CD2 4.31Å; V404-L406 PolarHBondContact O-N 3.5Å; V404-L406 VanDerWaalsContact O-N 3.08Å; L406-L415 HydrophobicContact CB-CD2 4.26Å; L406-L415 HydrophobicContact CD1-CD2 4.12Å; L406-L415 HydrophobicContact CD1-CG 4.41Å; L406-L415 PolarHBondContact N-O 3.09Å; L406-L417 HydrophobicContact CD1-CB 4.04Å; L406-L417 HydrophobicContact CD2-CB 3.65Å; L406-L417 HydrophobicContact CD2-CD2 4.07Å; L406-L417 HydrophobicContact CD2-CG 4.42Å; L406-L417 HydrophobicContact CG-CB 3.83Å; L406-L428 HydrophobicContact CD1-CD1 3.53Å; L406-L428 HydrophobicContact CD1-CG 4.46Å
407Y55.4Low53.7Low26 Ų2659.2 Ų59.210%0.10233%0.332CS..EExtended strand (participates in β ladder)trans-157146.8-177.8164.3-87.5000108.8I288 Q289 G290 F291 V405 K409 L415 W430I288-Y407 HydrophobicContact CD1-CD1 3.5Å; I288-Y407 HydrophobicContact CD1-CE1 3.49Å; I288-Y407 VanDerWaalsContact CD1-CE1 3.49Å; I288-Y407 HydrophobicContact CD1-CG 4.32Å; I288-Y407 HydrophobicContact CG1-CE1 4.31Å; Q289-Y407 PolarHBondContact O-OH 3.43Å; G290-Y407 VanDerWaalsContact O-CE2 3.22Å; G290-Y407 WeakPolarHBondContact O-CE2 3.37Å; F291-Y407 HydrophobicContact CB-CD1 4.18Å; F291-Y407 HydrophobicContact CB-CD2 3.42Å; F291-Y407 VanDerWaalsContact CB-CD2 3.42Å; F291-Y407 HydrophobicContact CB-CE1 4.46Å; F291-Y407 HydrophobicContact CB-CE2 3.71Å; F291-Y407 HydrophobicContact CB-CG 3.61Å; F291-Y407 HydrophobicContact CD2-CD2 4.32Å; F291-Y407 HydrophobicContact CD2-CG 4.21Å; F291-Y407 HydrophobicContact CG-CD2 4.2Å; F291-Y407 HydrophobicContact CG-CG 4.04Å; V405-Y407 VanDerWaalsContact CG1-O 3.3Å; V405-Y407 WeakPolarHBondContact CG1-O 3.11Å; Y407-K409 HydrophobicContact CE1-CB 3.79Å; Y407-K409 HydrophobicContact CE2-CB 4.39Å; Y407-K409 WeakPolarHBondContact OH-CB 3.49Å; Y407-K409 WeakPolarHBondContact OH-CD 3.27Å; Y407-L415 HydrophobicContact CD1-CB 4.34Å; Y407-L415 PolarHBondContact N-O 2.79Å; Y407-L415 PolarHBondContact O-N 3.24Å; Y407-W430 HydrophobicContact CD1-CH2 4.43Å; Y407-W430 AromaticContact CD1-CZ3 3.94Å; Y407-W430 HydrophobicContact CD1-CZ3 3.94Å; Y407-W430 AromaticContact CE1-CH2 3.95Å; Y407-W430 HydrophobicContact CE1-CH2 3.95Å; Y407-W430 AromaticContact CE1-CZ3 3.93Å; Y407-W430 HydrophobicContact CE1-CZ3 3.93Å
408S57.2Low55.2Low47 Ų4756 Ų5633%0.32931%0.313SS..EExtended strand (participates in β ladder)trans-147.8135.4172.4178.10000108.5G413 E414S408-G413 WeakPolarHBondContact CA-O 3.44Å; S408-E414 WeakPolarHBondContact OG-CG 3.48Å; S408-E414 PolarHBondContact OG-OE1 3.11Å
409K47.8Very low56Low71 Ų7148 Ų4831%0.30927%0.27SS..EExtended strand (participates in β ladder)trans-143.3128.8-179.9-177.5178-177.8-173.90110.6Q289 Y407 G411 W412 G413Q289-K409 PolarHBondContact O-NZ 2.94Å; Y407-K409 HydrophobicContact CE1-CB 3.79Å; Y407-K409 HydrophobicContact CE2-CB 4.39Å; Y407-K409 WeakPolarHBondContact OH-CB 3.49Å; Y407-K409 WeakPolarHBondContact OH-CD 3.27Å; K409-G411 PolarHBondContact O-N 3.48Å; K409-W412 HydrophobicContact CB-CB 4.18Å; K409-W412 HydrophobicContact CD-CB 4.48Å; K409-W412 HydrophobicContact CD-CG 4.16Å; K409-W412 HydrophobicContact CG-CB 4.38Å; K409-W412 HydrophobicContact CG-CG 4.43Å; K409-W412 PolarHBondContact O-N 3.17Å; K409-G413 PolarHBondContact N-O 3.22Å; K409-G413 PolarHBondContact O-N 3.45Å
410L45.2Very low56.5Low165 Ų16544.9 Ų44.986%0.86425%0.249SC*.THydrogen-bonded Turntrans-54.8132.8178.6-155.878.9000110.7W412L410-W412 PolarHBondContact O-N 2.89Å
411G46.4Very low56.6Low42 Ų4242.6 Ų42.643%0.43324%0.241SC..THydrogen-bonded Turntrans75.1-6.7-177.700000115.7K409 V433 V434K409-G411 PolarHBondContact O-N 3.48Å; G411-V433 WeakPolarHBondContact CA-O 3.2Å; G411-V434 WeakPolarHBondContact O-CG2 3.3Å
412W51.6Low56.5Low77 Ų7746 Ų4629%0.29226%0.255SS..THydrogen-bonded Turntrans-110.9-51.9177.6-76.787.5000112T266 Q289 K409 L410 W430 S432T266-W412 WeakPolarHBondContact O-CH2 3.14Å; T266-W412 WeakPolarHBondContact O-CZ3 3.33Å; Q289-W412 HydrophobicContact CB-CD2 4.41Å; Q289-W412 HydrophobicContact CB-CZ2 4.42Å; Q289-W412 VanDerWaalsContact OE1-NE1 3.12Å; K409-W412 HydrophobicContact CB-CB 4.18Å; K409-W412 HydrophobicContact CD-CB 4.48Å; K409-W412 HydrophobicContact CD-CG 4.16Å; K409-W412 HydrophobicContact CG-CB 4.38Å; K409-W412 HydrophobicContact CG-CG 4.43Å; K409-W412 PolarHBondContact O-N 3.17Å; L410-W412 PolarHBondContact O-N 2.89Å; W412-W430 VanDerWaalsContact C-CZ2 3.47Å; W412-W430 HydrophobicContact CB-CH2 3.86Å; W412-W430 HydrophobicContact CB-CZ2 3.98Å; W412-W430 WeakPolarHBondContact O-CZ2 3.38Å; W412-S432 WeakPolarHBondContact O-CA 3.46Å; W412-S432 PolarHBondContact O-OG 2.83Å
413G61.7Low56.2Low1 Ų151.8 Ų51.81%0.0127%0.266CS..EExtended strand (participates in β ladder)trans141.8-178.7-17900000115.1S408 K409 E431S408-G413 WeakPolarHBondContact CA-O 3.44Å; K409-G413 PolarHBondContact N-O 3.22Å; K409-G413 PolarHBondContact O-N 3.45Å; G413-E431 CarbonylContact C-O 3.47Å; G413-E431 WeakPolarHBondContact CA-O 3.12Å
414E66.1Low55.5Low59 Ų5952.6 Ų52.628%0.27627%0.271SS..EExtended strand (participates in β ladder)trans-110.7119.8174.3-46.2-150.6104.400110.2S408 K416 E431 V433S408-E414 WeakPolarHBondContact OG-CG 3.48Å; S408-E414 PolarHBondContact OG-OE1 3.11Å; E414-K416 HydrophobicContact CB-CD 4.21Å; E414-K416 HydrophobicContact CB-CG 4.45Å; E414-K416 WeakPolarHBondContact OE2-CE 3.24Å; E414-K416 IonicContact OE2-NZ 2.95Å; E414-K416 PolarHBondContact OE2-NZ 3.33Å; E414-E431 PolarHBondContact N-O 3.06Å; E414-E431 PolarHBondContact O-N 2.95Å; E414-V433 HydrophobicContact CG-CG2 4.21Å
415L64.6Low55.2Low1 Ų151.1 Ų51.11%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-88.5116.4169.2-166.172.8000109.5F286 I288 F291 V405 L406 Y407 L428 I429 W430F286-L415 HydrophobicContact CD1-CD2 4.35Å; F286-L415 HydrophobicContact CE1-CD1 3.72Å; F286-L415 HydrophobicContact CE1-CD2 3.78Å; F286-L415 HydrophobicContact CE1-CG 4.42Å; F286-L415 HydrophobicContact CZ-CD1 3.68Å; I288-L415 HydrophobicContact CD1-CB 4.37Å; I288-L415 HydrophobicContact CD1-CD2 4.27Å; F291-L415 HydrophobicContact CD1-CD2 3.53Å; F291-L415 HydrophobicContact CE1-CD2 3.12Å; F291-L415 HydrophobicContact CE2-CD2 4.42Å; F291-L415 HydrophobicContact CG-CD2 4.36Å; F291-L415 HydrophobicContact CZ-CD2 3.63Å; V405-L415 CarbonylContact C-O 3.53Å; V405-L415 WeakPolarHBondContact CA-O 3.43Å; L406-L415 HydrophobicContact CB-CD2 4.26Å; L406-L415 HydrophobicContact CD1-CD2 4.12Å; L406-L415 HydrophobicContact CD1-CG 4.41Å; L406-L415 PolarHBondContact N-O 3.09Å; Y407-L415 HydrophobicContact CD1-CB 4.34Å; Y407-L415 PolarHBondContact N-O 2.79Å; Y407-L415 PolarHBondContact O-N 3.24Å; L415-L428 HydrophobicContact CD1-CD2 3.96Å; L415-L428 HydrophobicContact CD1-CG 3.99Å; L415-L428 HydrophobicContact CD2-CD2 4.29Å; L415-L428 HydrophobicContact CD2-CG 4.49Å; L415-L428 HydrophobicContact CG-CD2 4.46Å; L415-L428 HydrophobicContact CG-CG 4.28Å; L415-I429 CarbonylContact C-O 3.52Å; L415-I429 WeakPolarHBondContact CA-O 3.29Å; L415-W430 HydrophobicContact CB-CE3 3.77Å; L415-W430 HydrophobicContact CB-CZ3 4.04Å; L415-W430 HydrophobicContact CD1-CB 3.95Å; L415-W430 HydrophobicContact CD1-CE3 3.9Å; L415-W430 HydrophobicContact CG-CE3 4.45Å
416K66Low54.8Low21 Ų2150.7 Ų50.79%0.09126%0.258CS..EExtended strand (participates in β ladder)trans-119.7140.5-171.9-79.3157.4179.6168.80111.2V404 V405 E414 L428 I429 E431V404-K416 CarbonylContact O-C 3.51Å; V404-K416 WeakPolarHBondContact O-CA 3.2Å; V405-K416 HydrophobicContact CG2-CG 3.97Å; E414-K416 HydrophobicContact CB-CD 4.21Å; E414-K416 HydrophobicContact CB-CG 4.45Å; E414-K416 WeakPolarHBondContact OE2-CE 3.24Å; E414-K416 IonicContact OE2-NZ 2.95Å; E414-K416 PolarHBondContact OE2-NZ 3.33Å; K416-L428 CarbonylContact O-C 3.6Å; K416-L428 WeakPolarHBondContact O-CA 3.49Å; K416-I429 HydrophobicContact CB-CB 4.21Å; K416-I429 PolarHBondContact N-O 2.74Å; K416-I429 PolarHBondContact O-N 3.31Å; K416-E431 HydrophobicContact CD-CG 4.37Å; K416-E431 WeakPolarHBondContact CD-OE1 3.22Å; K416-E431 IonicContact NZ-OE1 2.61Å; K416-E431 PolarHBondContact NZ-OE1 3.36Å; K416-E431 IonicContact NZ-OE2 2.8Å; K416-E431 PolarHBondContact NZ-OE2 3.38Å
417L65.6Low55Low19 Ų1951.1 Ų51.110%0.09926%0.261CS..EExtended strand (participates in β ladder)trans-109.7102.6173-173.275.4000109.3S403 V404 L406 L426 L427 L428 M447S403-L417 WeakPolarHBondContact CA-O 3.32Å; V404-L417 HydrophobicContact CB-CB 4.45Å; V404-L417 PolarHBondContact N-O 3.13Å; V404-L417 PolarHBondContact O-N 2.75Å; L406-L417 HydrophobicContact CD1-CB 4.04Å; L406-L417 HydrophobicContact CD2-CB 3.65Å; L406-L417 HydrophobicContact CD2-CD2 4.07Å; L406-L417 HydrophobicContact CD2-CG 4.42Å; L406-L417 HydrophobicContact CG-CB 3.83Å; L417-L426 HydrophobicContact CD1-CB 3.89Å; L417-L426 HydrophobicContact CD1-CD1 4.27Å; L417-L426 HydrophobicContact CD1-CG 4.45Å; L417-L426 HydrophobicContact CD2-CD1 4.39Å; L417-L426 HydrophobicContact CD2-CD2 4.42Å; L417-L426 HydrophobicContact CG-CD2 4.34Å; L417-L427 CarbonylContact C-O 3.58Å; L417-L427 WeakPolarHBondContact CA-O 3.45Å; L417-L428 HydrophobicContact CD1-CD1 3.95Å; L417-M447 HydrophobicContact CD1-CE 3.44Å; L417-M447 VanDerWaalsContact CD1-CE 3.44Å
418Q64.7Low55.5Low55 Ų5550 Ų5026%0.25726%0.256SS..EExtended strand (participates in β ladder)trans-101.7135.1175.8-164.5169.8-3.800110.2I400 L426 L427 I429I400-Q418 HydrophobicContact CG2-CG 3.98Å; Q418-L426 CarbonylContact O-C 3.59Å; Q418-L427 PolarHBondContact N-O 3.06Å; Q418-L427 WeakPolarHBondContact O-CB 3.24Å; Q418-L427 PolarHBondContact O-N 3.13Å; Q418-I429 HydrophobicContact CB-CD1 4.1Å
419P55.1Low55.9Low2 Ų248.4 Ų48.41%0.01324%0.244CC..EExtended strand (participates in β ladder)trans-82.2120.217332.6-29.2000109.3W389 I400 P401 S421 G425 L426W389-P419 HydrophobicContact CH2-CB 3.91Å; W389-P419 HydrophobicContact CH2-CG 3.41Å; W389-P419 VanDerWaalsContact CH2-CG 3.41Å; W389-P419 HydrophobicContact CZ2-CG 4.06Å; W389-P419 HydrophobicContact CZ3-CB 4.3Å; W389-P419 HydrophobicContact CZ3-CG 4.02Å; I400-P419 HydrophobicContact CG2-CG 4.41Å; I400-P419 WeakPolarHBondContact CG2-O 3.34Å; P401-P419 HydrophobicContact CB-CG 3.7Å; P401-P419 HydrophobicContact CG-CG 3.71Å; P401-P419 WeakPolarHBondContact O-CD 3.37Å; P419-S421 VanDerWaalsContact C-N 3.26Å; P419-S421 PolarHBondContact O-N 3.33Å; P419-G425 CarbonylContact C-O 3.2Å; P419-L426 HydrophobicContact CB-CD2 4.2Å
420L51.7Low56.8Low40 Ų4045.8 Ų45.821%0.20923%0.232CC..EExtended strand (participates in β ladder)trans-60.9-33.9-175.9-73.4173.7000113.1G425 L427 V446L420-G425 PolarHBondContact N-O 3.4Å; L420-L427 HydrophobicContact CD2-CB 3.78Å; L420-L427 HydrophobicContact CD2-CD2 3.91Å; L420-L427 HydrophobicContact CD2-CG 4.35Å; L420-L427 HydrophobicContact CG-CB 3.91Å; L420-V446 HydrophobicContact CD1-CB 4.35Å; L420-V446 HydrophobicContact CD1-CG1 3.53Å; L420-V446 HydrophobicContact CD1-CG2 3.87Å
421S52.3Low57.8Low40 Ų4041.2 Ų41.228%0.2821%0.206SC..EExtended strand (participates in β ladder)trans-168.7-177.7164.979.70000110.6P419 R423 S424P419-S421 VanDerWaalsContact C-N 3.26Å; P419-S421 PolarHBondContact O-N 3.33Å; S421-R423 PolarHBondContact O-N 2.85Å; S421-R423 PolarHBondContact OG-N 2.81Å; S421-S424 WeakPolarHBondContact CB-OG 3.4Å; S421-S424 VanDerWaalsContact OG-CB 3.28Å; S421-S424 WeakPolarHBondContact OG-CB 3.47Å; S421-S424 PolarHBondContact OG-N 3.15Å; S421-S424 PolarHBondContact OG-OG 3.04Å
422H44Very low58.3Low100 Ų10042 Ų4246%0.46321%0.205SC..THydrogen-bonded Turntrans-633.1165.4-66-48.1000115.3Q451 N456 P457H422-Q451 PolarHBondContact O-NE2 3.27Å; H422-N456 PolarHBondContact ND1-ND2 3.41Å; H422-N456 PolarHBondContact ND1-OD1 2.82Å; H422-P457 VanDerWaalsContact C-CD 3.42Å; H422-P457 WeakPolarHBondContact O-CD 3.21Å
423R38.9Very low58.4Low192 Ų19240.9 Ų40.973%0.72521%0.207SC*.THydrogen-bonded Turntrans-144-11.3175.6-52.6-158.6174.5-175.8-0115.7S421 Q451S421-R423 PolarHBondContact O-N 2.85Å; S421-R423 PolarHBondContact OG-N 2.81Å; R423-Q451 VanDerWaalsContact CD-OE1 3.32Å
424S47.4Very low57.9Low59 Ų5943.8 Ų43.841%0.41322%0.224SC..THydrogen-bonded Turntrans-98.3-3.6-162.8-56.50000116S421S421-S424 WeakPolarHBondContact CB-OG 3.4Å; S421-S424 VanDerWaalsContact OG-CB 3.28Å; S421-S424 WeakPolarHBondContact OG-CB 3.47Å; S421-S424 PolarHBondContact OG-N 3.15Å; S421-S424 PolarHBondContact OG-OG 3.04Å
425G52.9Low56.7Low1 Ų149.3 Ų49.31%0.0125%0.249CC..EExtended strand (participates in β ladder)trans100.5-164.6-175.600000115.2P419 L420 S449P419-G425 CarbonylContact C-O 3.2Å; L420-G425 PolarHBondContact N-O 3.4Å; G425-S449 VanDerWaalsContact CA-N 3.31Å; G425-S449 WeakPolarHBondContact CA-OG 3.44Å
426L57.9Low55.6Low39 Ų3955.9 Ų55.920%0.20429%0.285CS..EExtended strand (participates in β ladder)trans-113.5154.5-179.4-60.3169.7000109.6L321 L417 Q418 P419 M447L321-L426 HydrophobicContact CD2-CD1 4.49Å; L417-L426 HydrophobicContact CD1-CB 3.89Å; L417-L426 HydrophobicContact CD1-CD1 4.27Å; L417-L426 HydrophobicContact CD1-CG 4.45Å; L417-L426 HydrophobicContact CD2-CD1 4.39Å; L417-L426 HydrophobicContact CD2-CD2 4.42Å; L417-L426 HydrophobicContact CG-CD2 4.34Å; Q418-L426 CarbonylContact O-C 3.59Å; P419-L426 HydrophobicContact CB-CD2 4.2Å; L426-M447 HydrophobicContact CB-CB 4.31Å; L426-M447 HydrophobicContact CB-CE 3.98Å; L426-M447 PolarHBondContact N-O 3.08Å; L426-M447 CarbonylContact O-C 3.49Å; L426-M447 PolarHBondContact O-N 2.92Å
427L62.4Low54.1Low17 Ų1761.3 Ų61.39%0.08931%0.309CS..EExtended strand (participates in β ladder)trans-130.1117.3178.7167.568.4000107.4L417 Q418 L420 I429 C444 V446 L2130L417-L427 CarbonylContact C-O 3.58Å; L417-L427 WeakPolarHBondContact CA-O 3.45Å; Q418-L427 PolarHBondContact N-O 3.06Å; Q418-L427 WeakPolarHBondContact O-CB 3.24Å; Q418-L427 PolarHBondContact O-N 3.13Å; L420-L427 HydrophobicContact CD2-CB 3.78Å; L420-L427 HydrophobicContact CD2-CD2 3.91Å; L420-L427 HydrophobicContact CD2-CG 4.35Å; L420-L427 HydrophobicContact CG-CB 3.91Å; L427-I429 HydrophobicContact CD1-CG1 4.36Å; L427-I429 HydrophobicContact CD2-CD1 3.76Å; L427-I429 HydrophobicContact CD2-CG1 3.69Å; L427-I429 HydrophobicContact CG-CD1 4.2Å; L427-I429 HydrophobicContact CG-CG1 3.6Å; L427-C444 HydrophobicContact CD1-CB 3.91Å; L427-V446 HydrophobicContact CD1-CG2 3.63Å; L427-L2130 HydrophobicContact CD1-CD2 4.35Å
428L65.1Low52.5Low2 Ų267.5 Ų67.51%0.0135%0.348CS..EExtended strand (participates in β ladder)trans-74.9131.3160.9-129.773.8000107.5F286 L321 L406 L415 K416 L417 C444 I445 M447F286-L428 HydrophobicContact CD1-CD2 4.24Å; F286-L428 HydrophobicContact CD2-CD2 4.36Å; F286-L428 HydrophobicContact CE1-CD2 4.42Å; F286-L428 HydrophobicContact CG-CD2 4.22Å; L321-L428 HydrophobicContact CD1-CD1 4.05Å; L406-L428 HydrophobicContact CD1-CD1 3.53Å; L406-L428 HydrophobicContact CD1-CG 4.46Å; L415-L428 HydrophobicContact CD1-CD2 3.96Å; L415-L428 HydrophobicContact CD1-CG 3.99Å; L415-L428 HydrophobicContact CD2-CD2 4.29Å; L415-L428 HydrophobicContact CD2-CG 4.49Å; L415-L428 HydrophobicContact CG-CD2 4.46Å; L415-L428 HydrophobicContact CG-CG 4.28Å; K416-L428 CarbonylContact O-C 3.6Å; K416-L428 WeakPolarHBondContact O-CA 3.49Å; L417-L428 HydrophobicContact CD1-CD1 3.95Å; L428-C444 CarbonylContact O-C 3.57Å; L428-C444 WeakPolarHBondContact O-CA 3.43Å; L428-I445 HydrophobicContact CB-CB 3.91Å; L428-I445 HydrophobicContact CD2-CD1 4.16Å; L428-I445 PolarHBondContact N-O 3.09Å; L428-I445 PolarHBondContact O-N 3.44Å; L428-M447 HydrophobicContact CD1-CE 3.7Å
429I65.5Low51.1Low13 Ų1369.4 Ų69.47%0.06737%0.367CS..EExtended strand (participates in β ladder)trans-126.4124.7173.9-47.1176000106.8L415 K416 Q418 L427 E431 P442L415-I429 CarbonylContact C-O 3.52Å; L415-I429 WeakPolarHBondContact CA-O 3.29Å; K416-I429 HydrophobicContact CB-CB 4.21Å; K416-I429 PolarHBondContact N-O 2.74Å; K416-I429 PolarHBondContact O-N 3.31Å; Q418-I429 HydrophobicContact CB-CD1 4.1Å; L427-I429 HydrophobicContact CD1-CG1 4.36Å; L427-I429 HydrophobicContact CD2-CD1 3.76Å; L427-I429 HydrophobicContact CD2-CG1 3.69Å; L427-I429 HydrophobicContact CG-CD1 4.2Å; L427-I429 HydrophobicContact CG-CG1 3.6Å; I429-E431 HydrophobicContact CG2-CG 3.74Å; I429-P442 HydrophobicContact CG2-CB 3.81Å; I429-P442 HydrophobicContact CG2-CG 4.29Å
430W68.4Low50.6Low16 Ų1675.3 Ų75.36%0.06139%0.394CS..EExtended strand (participates in β ladder)trans-105.598.4171.8175.6-114000109.4I288 Y407 W412 L415 P442 L443I288-W430 HydrophobicContact CD1-CE3 3.91Å; I288-W430 HydrophobicContact CD1-CH2 3.8Å; I288-W430 HydrophobicContact CD1-CZ3 3.46Å; I288-W430 VanDerWaalsContact CD1-CZ3 3.46Å; I288-W430 HydrophobicContact CG2-CZ2 4.34Å; Y407-W430 HydrophobicContact CD1-CH2 4.43Å; Y407-W430 AromaticContact CD1-CZ3 3.94Å; Y407-W430 HydrophobicContact CD1-CZ3 3.94Å; Y407-W430 AromaticContact CE1-CH2 3.95Å; Y407-W430 HydrophobicContact CE1-CH2 3.95Å; Y407-W430 AromaticContact CE1-CZ3 3.93Å; Y407-W430 HydrophobicContact CE1-CZ3 3.93Å; W412-W430 VanDerWaalsContact C-CZ2 3.47Å; W412-W430 HydrophobicContact CB-CH2 3.86Å; W412-W430 HydrophobicContact CB-CZ2 3.98Å; W412-W430 WeakPolarHBondContact O-CZ2 3.38Å; L415-W430 HydrophobicContact CB-CE3 3.77Å; L415-W430 HydrophobicContact CB-CZ3 4.04Å; L415-W430 HydrophobicContact CD1-CB 3.95Å; L415-W430 HydrophobicContact CD1-CE3 3.9Å; L415-W430 HydrophobicContact CG-CE3 4.45Å; W430-P442 CarbonylContact O-C 3.21Å; W430-P442 WeakPolarHBondContact O-CA 3.5Å; W430-P442 WeakPolarHBondContact O-CB 3.38Å; W430-L443 HydrophobicContact CB-CB 4.16Å; W430-L443 PolarHBondContact N-O 3.05Å; W430-L443 PolarHBondContact O-N 3.02Å
431E66Low50.6Low70 Ų7079.4 Ų79.433%0.32741%0.412SS..EExtended strand (participates in β ladder)trans-91.7101.2179.5-65.4176.8-147.800109.8G413 E414 K416 I429 V433 P442G413-E431 CarbonylContact C-O 3.47Å; G413-E431 WeakPolarHBondContact CA-O 3.12Å; E414-E431 PolarHBondContact N-O 3.06Å; E414-E431 PolarHBondContact O-N 2.95Å; K416-E431 HydrophobicContact CD-CG 4.37Å; K416-E431 WeakPolarHBondContact CD-OE1 3.22Å; K416-E431 IonicContact NZ-OE1 2.61Å; K416-E431 PolarHBondContact NZ-OE1 3.36Å; K416-E431 IonicContact NZ-OE2 2.8Å; K416-E431 PolarHBondContact NZ-OE2 3.38Å; I429-E431 HydrophobicContact CG2-CG 3.74Å; E431-V433 PolarHBondContact O-N 2.87Å; E431-P442 HydrophobicContact CB-CB 4.46Å; E431-P442 HydrophobicContact CG-CB 3.9Å
432S56.1Low50.7Low59 Ų5980.1 Ų80.141%0.41342%0.416SS..  trans-65.4133179.3-175.50000112.2W412W412-S432 WeakPolarHBondContact O-CA 3.46Å; W412-S432 PolarHBondContact O-OG 2.83Å
433V53.6Low51.3Low53 Ų5376.5 Ų76.532%0.32140%0.4SS..  trans-113.372.7179-176.70000109.2G411 E414 E431G411-V433 WeakPolarHBondContact CA-O 3.2Å; E414-V433 HydrophobicContact CG-CG2 4.21Å; E431-V433 PolarHBondContact O-N 2.87Å
434V50.8Low52Low62 Ų6268.5 Ų68.538%0.37637%0.373SS..  trans-119.9118.5166.6-176.40000107G411 D436 F437G411-V434 WeakPolarHBondContact O-CG2 3.3Å; V434-D436 VanDerWaalsContact C-N 3.31Å; V434-D436 PolarHBondContact O-N 2.8Å; V434-F437 HydrophobicContact CG1-CD2 3.81Å; V434-F437 HydrophobicContact CG1-CE2 4.22Å
435H42Very low52.3Low174 Ų17466.3 Ų66.381%0.80636%0.356SS*.THydrogen-bonded Turntrans-78.2-8.2-163.8-79.7-43.7000115.7
436D40.2Very low52.1Low140 Ų14066.3 Ų66.375%0.74936%0.356SS*.THydrogen-bonded Turntrans-106.4-5.7-169-59.7-70.6000115.3V434V434-D436 VanDerWaalsContact C-N 3.31Å; V434-D436 PolarHBondContact O-N 2.8Å
437F34.7Very low51.7Low135 Ų13565.1 Ų65.159%0.59235%0.35SS*.  trans-111109.2-178.1-68.3-77.7000112.9V434 S439 H440V434-F437 HydrophobicContact CG1-CD2 3.81Å; V434-F437 HydrophobicContact CG1-CE2 4.22Å; F437-S439 VanDerWaalsContact C-N 3.32Å; F437-S439 PolarHBondContact O-N 3.24Å; F437-H440 VanDerWaalsContact CB-CD2 3.44Å; F437-H440 WeakPolarHBondContact CB-CD2 3.27Å; F437-H440 WeakPolarHBondContact CB-NE2 3.38Å; F437-H440 AromaticContact CG-NE2 3.82Å
438T32Very low51Low149 Ų14965 Ų6591%0.91435%0.35SS*.THydrogen-bonded Turntrans-85.822.5-167.748.40000115.9
439S35.5Very low50Low95 Ų9566.3 Ų66.366%0.66436%0.359SS*.THydrogen-bonded Turntrans-139.4-9.9-172.460.90000117.7F437 Q441F437-S439 VanDerWaalsContact C-N 3.32Å; F437-S439 PolarHBondContact O-N 3.24Å; S439-Q441 PolarHBondContact O-N 3.27Å
440H44.7Very low48.8Very low125 Ų12568.7 Ų68.758%0.57937%0.374SS*.PPolyproline II helixtrans-71.8117.4-175.6-62.6-66.9000112.3F437F437-H440 VanDerWaalsContact CB-CD2 3.44Å; F437-H440 WeakPolarHBondContact CB-CD2 3.27Å; F437-H440 WeakPolarHBondContact CB-NE2 3.38Å; F437-H440 AromaticContact CG-NE2 3.82Å
441Q52.3Low47.1Very low127 Ų12770.4 Ų70.459%0.59338%0.383SS*.PPolyproline II helixtrans-74.6147.2167.4-62.7-172.515.700109.7S439 L443S439-Q441 PolarHBondContact O-N 3.27Å; Q441-L443 PolarHBondContact O-N 2.93Å
442P55Low45.4Very low55 Ų5570.7 Ų70.736%0.35739%0.391SS..PPolyproline II helixtrans-75.9124.3178.330.9-33.9000110.7I429 W430 E431 C444I429-P442 HydrophobicContact CG2-CB 3.81Å; I429-P442 HydrophobicContact CG2-CG 4.29Å; W430-P442 CarbonylContact O-C 3.21Å; W430-P442 WeakPolarHBondContact O-CA 3.5Å; W430-P442 WeakPolarHBondContact O-CB 3.38Å; E431-P442 HydrophobicContact CB-CB 4.46Å; E431-P442 HydrophobicContact CG-CB 3.9Å; P442-C444 PolarHBondContact O-N 2.96Å; P442-C444 VanDerWaalsContact O-N 3.15Å; P442-C444 PolarHBondContact O-SG 3.39Å
443L56.2Low44.5Very low23 Ų2373.8 Ų73.812%0.1241%0.408CS..EExtended strand (participates in β ladder)trans-60.9118.1-179.4165.666.5000109.9P268 F286 W430 Q441 I445 D2131 L2266P268-L443 HydrophobicContact CB-CD2 4.32Å; F286-L443 HydrophobicContact CE2-CD2 4.19Å; W430-L443 HydrophobicContact CB-CB 4.16Å; W430-L443 PolarHBondContact N-O 3.05Å; W430-L443 PolarHBondContact O-N 3.02Å; Q441-L443 PolarHBondContact O-N 2.93Å; L443-I445 HydrophobicContact CD1-CG1 4.47Å; L443-I445 HydrophobicContact CG-CG1 4.39Å; L443-D2131 HydrophobicContact CD1-CB 4.21Å; L443-L2266 HydrophobicContact CD1-CD1 4.37Å
444C53.6Low43.8Very low25 Ų2578.6 Ų78.617%0.16943%0.431CS..EExtended strand (participates in β ladder)trans-112.9116.6-171.7-77.90000111.8L427 L428 P442 L2130L427-C444 HydrophobicContact CD1-CB 3.91Å; L428-C444 CarbonylContact O-C 3.57Å; L428-C444 WeakPolarHBondContact O-CA 3.43Å; P442-C444 PolarHBondContact O-N 2.96Å; P442-C444 VanDerWaalsContact O-N 3.15Å; P442-C444 PolarHBondContact O-SG 3.39Å; C444-L2130 HydrophobicContact CB-CD2 3.71Å
445I52.6Low43.2Very low12 Ų1276.7 Ų76.76%0.06242%0.42CS..EExtended strand (participates in β ladder)trans-117.5116.3-177.8-51.9170.6000109.8I270 F286 L295 L428 L443I270-I445 HydrophobicContact CD1-CD1 3.62Å; I270-I445 HydrophobicContact CD1-CG1 4.3Å; I270-I445 HydrophobicContact CG1-CD1 4.43Å; F286-I445 HydrophobicContact CD2-CD1 3.49Å; F286-I445 VanDerWaalsContact CD2-CD1 3.49Å; F286-I445 HydrophobicContact CE2-CD1 3.73Å; F286-I445 HydrophobicContact CG-CD1 4.5Å; L295-I445 HydrophobicContact CD1-CG2 4.47Å; L428-I445 HydrophobicContact CB-CB 3.91Å; L428-I445 HydrophobicContact CD2-CD1 4.16Å; L428-I445 PolarHBondContact N-O 3.09Å; L428-I445 PolarHBondContact O-N 3.44Å; L443-I445 HydrophobicContact CD1-CG1 4.47Å; L443-I445 HydrophobicContact CG-CG1 4.39Å
446V49.4Very low43.2Very low2 Ų270.6 Ų70.61%0.01239%0.393CS..EExtended strand (participates in β ladder)trans-92.8125.5-179.4170.70000112.4L420 L427 P448 L2130L420-V446 HydrophobicContact CD1-CB 4.35Å; L420-V446 HydrophobicContact CD1-CG1 3.53Å; L420-V446 HydrophobicContact CD1-CG2 3.87Å; L427-V446 HydrophobicContact CD1-CG2 3.63Å; V446-P448 WeakPolarHBondContact O-CD 3.01Å; V446-L2130 HydrophobicContact CB-CD1 3.86Å; V446-L2130 HydrophobicContact CG2-CD1 3.54Å; V446-L2130 HydrophobicContact CG2-CD2 3.68Å; V446-L2130 HydrophobicContact CG2-CG 4.25Å
447M50.4Low43Very low13 Ų1364.9 Ų64.96%0.06436%0.364CS..EExtended strand (participates in β ladder)trans-108.590.3172-65.2177.9-68.300109.3L295 L321 P323 L417 L426 L428 S449L295-M447 HydrophobicContact CD2-SD 3.99Å; L321-M447 HydrophobicContact CB-SD 3.73Å; L321-M447 HydrophobicContact CD1-CE 3.86Å; L321-M447 HydrophobicContact CD1-SD 3.81Å; L321-M447 HydrophobicContact CD2-CE 3.91Å; L321-M447 HydrophobicContact CD2-SD 4.09Å; L321-M447 HydrophobicContact CG-CE 4.33Å; L321-M447 HydrophobicContact CG-SD 4.07Å; P323-M447 HydrophobicContact CB-CB 4.44Å; L417-M447 HydrophobicContact CD1-CE 3.44Å; L417-M447 VanDerWaalsContact CD1-CE 3.44Å; L426-M447 HydrophobicContact CB-CB 4.31Å; L426-M447 HydrophobicContact CB-CE 3.98Å; L426-M447 PolarHBondContact N-O 3.08Å; L426-M447 CarbonylContact O-C 3.49Å; L426-M447 PolarHBondContact O-N 2.92Å; L428-M447 HydrophobicContact CD1-CE 3.7Å; M447-S449 PolarHBondContact O-N 2.98Å
448P45.7Very low43.4Very low15 Ų1559.8 Ų59.810%0.09734%0.344CS..  trans-65.8128.7-179.929.1-35.3000110.7V446 P2136 Y2138V446-P448 WeakPolarHBondContact O-CD 3.01Å; P448-P2136 HydrophobicContact CB-CG 4.47Å; P448-P2136 HydrophobicContact CG-CG 3.26Å; P448-Y2138 PolarHBondContact O-OH 3.14Å
449S46Very low43.9Very low29 Ų2957.1 Ų57.120%0.20332%0.321CS..  trans-96.6126.2-177.9700000111.6P323 G425 M447 Q451P323-S449 WeakPolarHBondContact O-CA 3.43Å; G425-S449 VanDerWaalsContact CA-N 3.31Å; G425-S449 WeakPolarHBondContact CA-OG 3.44Å; M447-S449 PolarHBondContact O-N 2.98Å; S449-Q451 PolarHBondContact O-N 3Å; S449-Q451 VanDerWaalsContact O-N 3.15Å
450V39Very low44.3Very low63 Ų6354.8 Ų54.838%0.38230%0.301SS..  trans-69.4112.5174.9178.40000109.9D324 P452 Y2138D324-V450 HydrophobicContact CB-CB 3.88Å; D324-V450 HydrophobicContact CB-CG2 3.5Å; V450-P452 WeakPolarHBondContact O-CD 3.5Å; V450-Y2138 HydrophobicContact CG2-CD1 3.66Å; V450-Y2138 HydrophobicContact CG2-CD2 4.2Å; V450-Y2138 HydrophobicContact CG2-CE1 3.2Å; V450-Y2138 HydrophobicContact CG2-CE2 3.84Å; V450-Y2138 HydrophobicContact CG2-CG 4.14Å
451Q32.2Very low44.2Very low52 Ų5251.4 Ų51.424%0.24329%0.287CS..  trans-99.1111.9178.1172.7171.289.100110.9H422 R423 S449 T453 T455H422-Q451 PolarHBondContact O-NE2 3.27Å; R423-Q451 VanDerWaalsContact CD-OE1 3.32Å; S449-Q451 PolarHBondContact O-N 3Å; S449-Q451 VanDerWaalsContact O-N 3.15Å; Q451-T453 PolarHBondContact O-N 3.06Å; Q451-T455 WeakPolarHBondContact CG-O 3.15Å; Q451-T455 PolarHBondContact NE2-O 2.74Å
452P31.8Very low43.8Very low77 Ų7747.2 Ų47.250%0.527%0.274SS..  trans-56.5136.8157.4-22.133.2000110V450 N454 T455V450-P452 WeakPolarHBondContact O-CD 3.5Å; P452-N454 PolarHBondContact O-N 2.7Å; P452-T455 PolarHBondContact O-N 2.67Å; P452-T455 PolarHBondContact O-OG1 3.05Å; P452-T455 VanDerWaalsContact O-OG1 3.08Å
453T36.7Very low43.1Very low123 Ų12350.5 Ų50.576%0.75528%0.279SS*.THydrogen-bonded Turntrans-54.2129.9177.149.30000110.6Q451Q451-T453 PolarHBondContact O-N 3.06Å
454N39.3Very low42.2Very low154 Ų15453 Ų5382%0.82429%0.29SS*.THydrogen-bonded Turntrans82.916.4-176.4-46.3-53.2000117.5P452P452-N454 PolarHBondContact O-N 2.7Å
455T37.5Very low41.6Very low22 Ų2253.5 Ų53.514%0.13529%0.29CS..  trans-125.3107.5172.565.30000114.1Q451 P452 N460Q451-T455 WeakPolarHBondContact CG-O 3.15Å; Q451-T455 PolarHBondContact NE2-O 2.74Å; P452-T455 PolarHBondContact O-N 2.67Å; P452-T455 PolarHBondContact O-OG1 3.05Å; P452-T455 VanDerWaalsContact O-OG1 3.08Å; T455-N460 VanDerWaalsContact CB-OD1 3.23Å; T455-N460 WeakPolarHBondContact CB-OD1 3.29Å; T455-N460 PolarHBondContact OG1-ND2 3.16Å; T455-N460 PolarHBondContact OG1-OD1 2.85Å
456N42.9Very low40.9Very low46 Ų4659.1 Ų59.125%0.24631%0.314CS..  trans-55.7137.8172.5177.8-17.2000110.2H422 V458 Q459 N460H422-N456 PolarHBondContact ND1-ND2 3.41Å; H422-N456 PolarHBondContact ND1-OD1 2.82Å; N456-V458 PolarHBondContact O-N 2.88Å; N456-V458 WeakPolarHBondContact OD1-CB 3.15Å; N456-V458 WeakPolarHBondContact OD1-CG2 2.97Å; N456-V458 PolarHBondContact OD1-N 2.83Å; N456-Q459 HydrophobicContact CB-CB 4.1Å; N456-Q459 HydrophobicContact CB-CG 3.94Å; N456-Q459 CarbonylContact O-C 3.6Å; N456-Q459 VanDerWaalsContact O-CA 3.29Å; N456-Q459 WeakPolarHBondContact O-CA 3.34Å; N456-Q459 VanDerWaalsContact O-CB 3.3Å; N456-Q459 WeakPolarHBondContact O-CB 3.29Å; N456-Q459 PolarHBondContact O-N 3.2Å; N456-N460 PolarHBondContact O-N 2.91Å
457P36.4Very low40.3Very low20 Ų2060.5 Ų60.513%0.1333%0.329CS..Hα-helixtrans-56.2-34.5176.123.3-35000112.1H422 Q459 N460 L461H422-P457 VanDerWaalsContact C-CD 3.42Å; H422-P457 WeakPolarHBondContact O-CD 3.21Å; P457-Q459 VanDerWaalsContact C-N 3.28Å; P457-Q459 PolarHBondContact O-N 3.38Å; P457-N460 PolarHBondContact O-N 3.24Å; P457-N460 VanDerWaalsContact O-N 3.07Å; P457-L461 WeakPolarHBondContact O-CB 3.37Å; P457-L461 PolarHBondContact O-N 3.17Å
458V41.8Very low39.5Very low28 Ų2861.5 Ų61.517%0.1733%0.334CS..Hα-helixtrans-64.6-32.9172.4-175.70000111.5W389 N456 A462W389-V458 HydrophobicContact CE3-CG2 4.25Å; W389-V458 HydrophobicContact CZ3-CG2 4.35Å; W389-V458 WeakPolarHBondContact O-CG1 3.26Å; N456-V458 PolarHBondContact O-N 2.88Å; N456-V458 WeakPolarHBondContact OD1-CB 3.15Å; N456-V458 WeakPolarHBondContact OD1-CG2 2.97Å; N456-V458 PolarHBondContact OD1-N 2.83Å; V458-A462 WeakPolarHBondContact O-CB 3.43Å; V458-A462 PolarHBondContact O-N 3.38Å
459Q43.7Very low38.7Very low94 Ų9465 Ų6544%0.43936%0.358SS..Hα-helixtrans-77.1-25.6170.9-70.4174-10.600113.3N456 P457 R463N456-Q459 HydrophobicContact CB-CB 4.1Å; N456-Q459 HydrophobicContact CB-CG 3.94Å; N456-Q459 CarbonylContact O-C 3.6Å; N456-Q459 VanDerWaalsContact O-CA 3.29Å; N456-Q459 WeakPolarHBondContact O-CA 3.34Å; N456-Q459 VanDerWaalsContact O-CB 3.3Å; N456-Q459 WeakPolarHBondContact O-CB 3.29Å; N456-Q459 PolarHBondContact O-N 3.2Å; P457-Q459 VanDerWaalsContact C-N 3.28Å; P457-Q459 PolarHBondContact O-N 3.38Å; Q459-R463 VanDerWaalsContact O-CB 3.27Å; Q459-R463 WeakPolarHBondContact O-CB 3.21Å; Q459-R463 VanDerWaalsContact O-CG 3.24Å; Q459-R463 WeakPolarHBondContact O-CG 3.2Å; Q459-R463 PolarHBondContact O-N 2.78Å; Q459-R463 PolarHBondContact O-NH1 3.17Å
460N43.3Very low38.2Very low46 Ų4670.1 Ų70.125%0.24638%0.379CS..Hα-helixtrans-76.3-41.4173.2-75.8-8.4000110.8T455 N456 P457 R463 F464T455-N460 VanDerWaalsContact CB-OD1 3.23Å; T455-N460 WeakPolarHBondContact CB-OD1 3.29Å; T455-N460 PolarHBondContact OG1-ND2 3.16Å; T455-N460 PolarHBondContact OG1-OD1 2.85Å; N456-N460 PolarHBondContact O-N 2.91Å; P457-N460 PolarHBondContact O-N 3.24Å; P457-N460 VanDerWaalsContact O-N 3.07Å; N460-R463 CarbonylContact O-C 3.35Å; N460-R463 PolarHBondContact O-N 2.83Å; N460-R463 PolarHBondContact OD1-NH1 2.85Å; N460-F464 WeakPolarHBondContact O-CB 3.46Å; N460-F464 PolarHBondContact O-N 3.05Å
461L43.7Very low37.8Very low53 Ų5370.7 Ų70.728%0.27738%0.379SS..Hα-helixtrans-59.7-46.7167.8-169.665000110.7L375 W389 P457 R463 F464 I465L375-L461 HydrophobicContact CD1-CD1 3.88Å; L375-L461 HydrophobicContact CD1-CD2 4.45Å; L375-L461 HydrophobicContact CD1-CG 4.33Å; W389-L461 HydrophobicContact CE3-CD2 3.95Å; W389-L461 HydrophobicContact CZ3-CD2 4.13Å; P457-L461 WeakPolarHBondContact O-CB 3.37Å; P457-L461 PolarHBondContact O-N 3.17Å; L461-R463 VanDerWaalsContact C-N 3.33Å; L461-R463 PolarHBondContact O-N 3.45Å; L461-F464 HydrophobicContact CD1-CD1 4.49Å; L461-F464 WeakPolarHBondContact O-CB 3.22Å; L461-F464 PolarHBondContact O-N 3.24Å; L461-F464 VanDerWaalsContact O-N 3.17Å; L461-I465 HydrophobicContact CG-CD1 4.11Å; L461-I465 WeakPolarHBondContact O-CD1 3.25Å; L461-I465 VanDerWaalsContact O-CG1 3.23Å; L461-I465 WeakPolarHBondContact O-CG1 3.43Å; L461-I465 PolarHBondContact O-N 3.46Å
462A42.1Very low37.4Very low39 Ų3974.3 Ų74.332%0.32241%0.407SS..Hα-helixtrans-67.6-26.417500000113.8V458 K466V458-A462 WeakPolarHBondContact O-CB 3.43Å; V458-A462 PolarHBondContact O-N 3.38Å; A462-K466 WeakPolarHBondContact O-CB 3.37Å; A462-K466 PolarHBondContact O-N 2.8Å
463R40.7Very low37.4Very low124 Ų12477.7 Ų77.747%0.46842%0.416SS..Hα-helixtrans-78.1-29.8169.9-81-172.4-153.592.6-1112.6Q459 N460 L461 G467Q459-R463 VanDerWaalsContact O-CB 3.27Å; Q459-R463 WeakPolarHBondContact O-CB 3.21Å; Q459-R463 VanDerWaalsContact O-CG 3.24Å; Q459-R463 WeakPolarHBondContact O-CG 3.2Å; Q459-R463 PolarHBondContact O-N 2.78Å; Q459-R463 PolarHBondContact O-NH1 3.17Å; N460-R463 CarbonylContact O-C 3.35Å; N460-R463 PolarHBondContact O-N 2.83Å; N460-R463 PolarHBondContact OD1-NH1 2.85Å; L461-R463 VanDerWaalsContact C-N 3.33Å; L461-R463 PolarHBondContact O-N 3.45Å; R463-G467 WeakPolarHBondContact O-CA 3.38Å; R463-G467 PolarHBondContact O-N 2.94Å
464F38.1Very low37Very low77 Ų7775.4 Ų75.434%0.33840%0.399SS..Hα-helixtrans-66.5-55.2171.4173.2-104.7000109.5W325 N460 L461 K466 G467 L468W325-F464 HydrophobicContact CZ2-CD2 4.24Å; N460-F464 WeakPolarHBondContact O-CB 3.46Å; N460-F464 PolarHBondContact O-N 3.05Å; L461-F464 HydrophobicContact CD1-CD1 4.49Å; L461-F464 WeakPolarHBondContact O-CB 3.22Å; L461-F464 PolarHBondContact O-N 3.24Å; L461-F464 VanDerWaalsContact O-N 3.17Å; F464-K466 PolarHBondContact O-N 3.31Å; F464-G467 WeakPolarHBondContact O-CA 3.25Å; F464-G467 PolarHBondContact O-N 3.12Å; F464-G467 VanDerWaalsContact O-N 3.08Å; F464-L468 HydrophobicContact CD1-CD1 4.06Å; F464-L468 HydrophobicContact CE1-CD1 3.73Å; F464-L468 HydrophobicContact CE2-CD1 4.31Å; F464-L468 HydrophobicContact CG-CD1 4.49Å; F464-L468 HydrophobicContact CZ-CD1 3.87Å; F464-L468 WeakPolarHBondContact O-CG 3.36Å; F464-L468 PolarHBondContact O-N 3.35Å
465I40.5Very low36.2Very low35 Ų3573.4 Ų73.418%0.17940%0.397CS..Hα-helixtrans-52.7-52.3171.9-62.7159000110.7L375 L461 G467 L468 C469L375-I465 HydrophobicContact CB-CD1 3.66Å; L375-I465 HydrophobicContact CB-CG1 3.8Å; L375-I465 HydrophobicContact CD1-CD1 4.17Å; L375-I465 HydrophobicContact CD1-CG1 4.31Å; L375-I465 HydrophobicContact CG-CD1 4.44Å; L375-I465 WeakPolarHBondContact O-CG2 3.48Å; L461-I465 HydrophobicContact CG-CD1 4.11Å; L461-I465 WeakPolarHBondContact O-CD1 3.25Å; L461-I465 VanDerWaalsContact O-CG1 3.23Å; L461-I465 WeakPolarHBondContact O-CG1 3.43Å; L461-I465 PolarHBondContact O-N 3.46Å; I465-G467 VanDerWaalsContact C-N 3.27Å; I465-G467 PolarHBondContact O-N 3.34Å; I465-L468 PolarHBondContact O-N 3.48Å; I465-C469 WeakPolarHBondContact O-CB 3.36Å; I465-C469 PolarHBondContact O-N 2.85Å; I465-C469 PolarHBondContact O-SG 2.91Å
466K38.1Very low35.6Very low130 Ų13074.6 Ų74.657%0.56541%0.413SS*.Hα-helixtrans-69.9-22.3-178.9-169.9170.1-173.8171.70113.6A462 F464 Q470A462-K466 WeakPolarHBondContact O-CB 3.37Å; A462-K466 PolarHBondContact O-N 2.8Å; F464-K466 PolarHBondContact O-N 3.31Å; K466-Q470 VanDerWaalsContact O-CB 3.28Å; K466-Q470 WeakPolarHBondContact O-CB 3.28Å; K466-Q470 WeakPolarHBondContact O-CG 3.28Å; K466-Q470 PolarHBondContact O-N 3.44Å
467G36Very low34.9Very low31 Ų3177.5 Ų77.532%0.3244%0.435SS..Hα-helixtrans-72.8-49.1171.800000110.9R463 F464 I465 C469 Q470 I471R463-G467 WeakPolarHBondContact O-CA 3.38Å; R463-G467 PolarHBondContact O-N 2.94Å; F464-G467 WeakPolarHBondContact O-CA 3.25Å; F464-G467 PolarHBondContact O-N 3.12Å; F464-G467 VanDerWaalsContact O-N 3.08Å; I465-G467 VanDerWaalsContact C-N 3.27Å; I465-G467 PolarHBondContact O-N 3.34Å; G467-C469 VanDerWaalsContact C-N 3.32Å; G467-C469 PolarHBondContact O-N 3.2Å; G467-Q470 CarbonylContact O-C 3.56Å; G467-Q470 WeakPolarHBondContact O-CA 3.13Å; G467-Q470 PolarHBondContact O-N 2.85Å; G467-I471 PolarHBondContact O-N 2.8Å
468L34Very low34.3Very low34 Ų3482.1 Ų82.118%0.17846%0.463CS..Hα-helixtrans-54.8-47.9171.2-65.9168.1000110.7F464 I465 Q470 I471F464-L468 HydrophobicContact CD1-CD1 4.06Å; F464-L468 HydrophobicContact CE1-CD1 3.73Å; F464-L468 HydrophobicContact CE2-CD1 4.31Å; F464-L468 HydrophobicContact CG-CD1 4.49Å; F464-L468 HydrophobicContact CZ-CD1 3.87Å; F464-L468 WeakPolarHBondContact O-CG 3.36Å; F464-L468 PolarHBondContact O-N 3.35Å; I465-L468 PolarHBondContact O-N 3.48Å; L468-Q470 PolarHBondContact O-N 3.4Å; L468-Q470 VanDerWaalsContact O-N 3.12Å; L468-I471 HydrophobicContact CD2-CD1 4.42Å; L468-I471 PolarHBondContact O-N 3.01Å
469C29.2Very low33.6Very low89 Ų8984.8 Ų84.860%0.60148%0.483SS*.THydrogen-bonded Turntrans-70.92.4174.3-59.10000115.2I465 G467I465-C469 WeakPolarHBondContact O-CB 3.36Å; I465-C469 PolarHBondContact O-N 2.85Å; I465-C469 PolarHBondContact O-SG 2.91Å; G467-C469 VanDerWaalsContact C-N 3.32Å; G467-C469 PolarHBondContact O-N 3.2Å
470Q34.5Very low32.7Very low136 Ų13686.6 Ų86.664%0.63650%0.495SS*.THydrogen-bonded Turntrans-114.2-2.6174.1-80178.9-2.300113.3K466 G467 L468 P472K466-Q470 VanDerWaalsContact O-CB 3.28Å; K466-Q470 WeakPolarHBondContact O-CB 3.28Å; K466-Q470 WeakPolarHBondContact O-CG 3.28Å; K466-Q470 PolarHBondContact O-N 3.44Å; G467-Q470 CarbonylContact O-C 3.56Å; G467-Q470 WeakPolarHBondContact O-CA 3.13Å; G467-Q470 PolarHBondContact O-N 2.85Å; L468-Q470 PolarHBondContact O-N 3.4Å; L468-Q470 VanDerWaalsContact O-N 3.12Å; Q470-P472 VanDerWaalsContact O-CD 3.28Å; Q470-P472 WeakPolarHBondContact O-CD 3.1Å
471I31.8Very low32Very low75 Ų7593.8 Ų93.839%0.38552%0.519SS..  trans-73.5117.8170-65169.3000108.4G467 L468 Q473G467-I471 PolarHBondContact O-N 2.8Å; L468-I471 HydrophobicContact CD2-CD1 4.42Å; L468-I471 PolarHBondContact O-N 3.01Å; I471-Q473 HydrophobicContact CG2-CB 4.15Å; I471-Q473 PolarHBondContact O-N 2.96Å
472P24.5Very low31.4Very low128 Ų12896.5 Ų96.583%0.83154%0.538SS*.THydrogen-bonded Turntrans-73.422-173.2-2034.9000116.3Q470Q470-P472 VanDerWaalsContact O-CD 3.28Å; Q470-P472 WeakPolarHBondContact O-CD 3.1Å
473Q31.5Very low30.8Very low147 Ų147100.9 Ų100.969%0.68755%0.554SS**THydrogen-bonded Turntrans-125.711.9-165.9-66.5-173.5-4100115I471 S475I471-Q473 HydrophobicContact CG2-CB 4.15Å; I471-Q473 PolarHBondContact O-N 2.96Å; Q473-S475 PolarHBondContact O-N 3.13Å
474L28.3Very low30.4Very low75 Ų75103.4 Ų103.439%0.39357%0.569SS.*SBendtrans-86.116.2170.3-67.9172.4000113.2V355 P356V355-L474 HydrophobicContact CG1-CD2 4.35Å; P356-L474 HydrophobicContact CB-CD1 4.42Å; P356-L474 HydrophobicContact CG-CD1 3.82Å
475S21.5Very low29.7Very low112 Ų112105.2 Ų105.278%0.78359%0.591SS**SBendtrans-154.975.9179.2-72.20000110.1Q473Q473-S475 PolarHBondContact O-N 3.13Å
476G26Very low29Very low47 Ų47107.5 Ų107.549%0.48562%0.615SS.*  trans66.7-164.7-177.900000113.1
477P26.7Very low28.5Very low108 Ų108107.6 Ų107.670%0.70163%0.626SS**  -133.8-174.8-8740.1-28.8000112.2
478T25.4Very low28Very low116 Ų116113.4 Ų113.471%0.71264%0.643SS**  trans66.9141.2161.559.50000117.5N480T478-N480 PolarHBondContact O-N 3.37Å
479S26.4Very low27.4Very low84 Ų84117.8 Ų117.859%0.58767%0.673SS**  18106.8123-155.10000114.9
480N25.3Very low27.2Very low132 Ų132115.6 Ų115.671%0.70667%0.665SS**  -138.4118.456.1-89.9-97.1000111.1T478T478-N480 PolarHBondContact O-N 3.37Å
481R26.8Very low26.8Very low198 Ų198113.4 Ų113.475%0.74767%0.671SS**  7784.576.4-170.8-178.2-169-175.36.3110.5
482T31.5Very low26.7Very low109 Ų109117.3 Ų117.367%0.66969%0.685SS**  71.3153.4116.9-45.40000116.6
483I31Very low27Very low131 Ų131117 Ų11767%0.67267%0.672SS**  trans61.2152166.849.1176.9000116.3
484K31.8Very low26.7Very low178 Ų178114.8 Ų114.877%0.77467%0.665SS**  cis-154.5132.411-133.5149.2-157.4173.60110.8
485S23.8Very low26.7Very low114 Ų114115.4 Ų115.480%0.79767%0.671SS**  trans-165.291.7141.7-167.20000105.8
486A24.1Very low27Very low83 Ų83119.8 Ų119.869%0.68667%0.671SS**  64.1113.696.300000110.3
487V27.7Very low27.3Very low132 Ų132120.7 Ų120.780%0.868%0.68SS**SBendcis-143.9145.725.1173.40000107.5
488K26Very low27.4Very low153 Ų153122.5 Ų122.567%0.66568%0.679SS**  cis-148.113914.7-146.3166.9-174.7179.70108.4G490K488-G490 VanDerWaalsContact C-N 3.3Å; K488-G490 PolarHBondContact O-N 3.32Å
489P22.5Very low27.5Very low127 Ų127120.7 Ų120.783%0.82567%0.67SS**  trans-66.210114729-27.9000105.8
490G24.2Very low27.8Very low42 Ų42121 Ų12143%0.43368%0.678SS.*  trans-156.476.4-155.900000113.9K488 K492K488-G490 VanDerWaalsContact C-N 3.3Å; K488-G490 PolarHBondContact O-N 3.32Å; G490-K492 VanDerWaalsContact C-N 3.34Å
491A27.1Very low28.8Very low91 Ų91123.6 Ų123.675%0.75268%0.677SS**  cis42.151.313.300000112.6
492K28.7Very low29.1Very low157 Ų157119.5 Ų119.568%0.68368%0.676SS**  cis-128.4147.838.2-67.7172.4172.5179.90111.8G490G490-K492 VanDerWaalsContact C-N 3.34Å
493Q29.7Very low29Very low120 Ų120117 Ų11756%0.56166%0.663SS**  51.297.467.5157.2-151.284.100108.9V495Q493-V495 HydrophobicContact CG-CG2 3.96Å
494L26.7Very low29.1Very low101 Ų101119.8 Ų119.853%0.52967%0.67SS.*  -147126114-119.951.3000103T521L494-T521 WeakPolarHBondContact CD2-O 3.41Å
495V27.6Very low28.9Very low88 Ų88114.9 Ų114.953%0.53366%0.657SS.*  cis52.8100.848.8-170.60000107.3Q493Q493-V495 HydrophobicContact CG-CG2 3.96Å
496R28.1Very low29.1Very low205 Ų205116.6 Ų116.677%0.77466%0.655SS**  cis-118.3163.221.7-6586.9172.3-168.3-5.5109.7
497G31.6Very low29.3Very low66 Ų66116.8 Ų116.868%0.6865%0.651SS**  cis155.3-173.64.900000108.8
498Q28.6Very low29.3Very low145 Ų145119.1 Ų119.168%0.67865%0.653SS**  cis57.8108.127-162.2-170.342.400111.6
499P28.2Very low29.3Very low79 Ų79115.9 Ų115.951%0.51366%0.655SS.*  cis-77.7-1687.5-7.128.3000112.1R501P499-R501 HydrophobicContact CB-CB 4.12Å
500A32.1Very low29.5Very low91 Ų91116.9 Ų116.975%0.75266%0.659SS**  cis-146.1146.120.400000113.3
501R46.6Very low29.7Very low186 Ų186118.5 Ų118.570%0.70268%0.675SS**  cis73.1120.132.5-178.3-145.1-73.9168.3-12.1111.4P499P499-R501 HydrophobicContact CB-CB 4.12Å
502P34Very low29.9Very low111 Ų111123.2 Ų123.272%0.72168%0.682SS**  cis-125.4171.31.739.4-23.2000115.9
503S29.6Very low29.9Very low56 Ų56123.2 Ų123.239%0.39268%0.682SS.*  trans-10.9139.5148.7-31.60000120.3L1787S503-L1787 WeakPolarHBondContact OG-CD2 3.16Å
504K32.8Very low30Very low191 Ų191122.2 Ų122.283%0.8368%0.677SS**  -170.3164.3111.4-101.5168.5-178.4-177.70112.3
505P26.8Very low30.2Very low75 Ų75122.4 Ų122.449%0.48768%0.683SS.*  trans-92.7-169.2179.938.1-34.7000113.1
506I29.1Very low30.4Very low150 Ų150122.3 Ų122.377%0.76968%0.678SS**  trans94.4155.2164.8-59.4158000116.6
507S27.6Very low30.5Very low86 Ų86117.6 Ų117.660%0.60167%0.672SS**  trans-63.1162.8-159.960.20000120.8
508H28.1Very low30.3Very low181 Ų181119.7 Ų119.784%0.83868%0.677SS**  trans66.3115.1154.2-71.6-68.9000120.2
509A24.7Very low30.4Very low85 Ų85118.6 Ų118.670%0.70267%0.67SS**  trans51.8129.2141.500000122.9
510T27Very low30.5Very low149 Ų149119.9 Ų119.991%0.91468%0.676SS**  trans63.2120.5149.747.50000121.8
511G29.6Very low30.5Very low75 Ų75119.8 Ų119.877%0.77367%0.667SS**  trans133.8103.1139.400000122
512Q30.8Very low29.8Very low191 Ų191117.8 Ų117.889%0.89367%0.67SS**  trans59.3120.5136.1-69.4-172.6-17.800126.4
513K29.5Very low29.6Very low156 Ų156117.9 Ų117.968%0.67867%0.673SS**  89.8108.5121.9-144.3167.3-167.3-780125.3
514E31Very low29.6Very low100 Ų100121.2 Ų121.247%0.46769%0.691SS.*  trans77.9109.2132.9-67.9168.1-161.300129.6Y1493E514-Y1493 VanDerWaalsContact CD-CE2 3.42Å; E514-Y1493 HydrophobicContact CG-CE2 4.28Å; E514-Y1493 VanDerWaalsContact OE2-CE2 3.31Å; E514-Y1493 WeakPolarHBondContact OE2-CE2 3.21Å
515T30.4Very low29.6Very low104 Ų104119.8 Ų119.864%0.63869%0.689SS**  67.2143110.3-19.70000128.6Y1493T515-Y1493 HydrophobicContact CG2-CE1 4.4Å; T515-Y1493 PolarHBondContact OG1-OH 3.36Å
516I31.8Very low29.8Very low86 Ų86123 Ų12344%0.44170%0.702SS.*  trans121.2161.3146.9-58.2-165.3000120Y1493 D1494I516-Y1493 HydrophobicContact CD1-CD1 3.81Å; I516-Y1493 HydrophobicContact CD1-CE1 4.14Å; I516-D1494 WeakPolarHBondContact CD1-OD1 3.09Å
517T31.3Very low29.8Very low106 Ų106120.9 Ų120.965%0.6571%0.708SS**  trans-140.7170.1-141.367.70000118.4
518S27.7Very low29.8Very low110 Ų110126.1 Ų126.177%0.76972%0.72SS**  trans-152.8-178.5161.9-90.30000116.2
519K30.3Very low30.2Very low123 Ų123122 Ų12254%0.53571%0.709SS.*  -141.3137.9-124.7-70.7138.2-178.1-176.50117.5E1495K519-E1495 IonicContact NZ-OE1 3.03Å; K519-E1495 PolarHBondContact NZ-OE1 2.88Å
520T30.5Very low30.4Very low106 Ų106123.3 Ų123.365%0.6571%0.713SS**  trans59.9-173.2158.9570000121.7
521T30.8Very low30.8Very low89 Ų89121.8 Ų121.855%0.54671%0.705SS.*  cis-166.7134.215.4-27.10000117.6L494L494-T521 WeakPolarHBondContact CD2-O 3.41Å
522N31.6Very low30.9Very low143 Ų143127 Ų12777%0.76571%0.712SS**  trans44.8169.9146.2-60.8-19.9000126.1
523S30.9Very low31Very low114 Ų114128.3 Ų128.380%0.79771%0.709SS**  cis-146.7-168.614.2-162.90000116.1
524T29.7Very low31.2Very low125 Ų125125.5 Ų125.577%0.76771%0.707SS**  trans-96.3-146.5-147.6-26.30000118.1
525M32.1Very low31.2Very low161 Ų161128.1 Ų128.179%0.79372%0.722SS**  cis-144.5-10823.5-152.3-149.4-13100118.7
526N31.2Very low31.1Very low142 Ų142127.9 Ų127.976%0.75972%0.724SS**  trans-139.8153.2-152.4-84.5-47.9000118.4
527A29Very low31Very low107 Ų107127.6 Ų127.688%0.88473%0.73SS**  172.8164.2128.300000116.2
528K28.8Very low30.9Very low196 Ų196128.6 Ų128.685%0.85274%0.737SS**  trans-158.2-168.4-178.5-150.5-150.8175.1-177.20107.4
529P36.2Very low31.2Very low94 Ų94127.8 Ų127.861%0.6173%0.729SS**  -111.1178.4-58.333.1-17.4000113.7
530S29Very low31.1Very low112 Ų112127.8 Ų127.878%0.78373%0.734SS**  164.6155.3111.7-74.40000115.6
531P35.6Very low31.1Very low117 Ų117129.8 Ų129.876%0.7674%0.736SS**  trans-116.7168.7-179.342-32.4000114.9
532M31.2Very low31.1Very low186 Ų186129.7 Ų129.792%0.91673%0.732SS**  trans-127.796.1156.2-89.5-168.366.800113.8
533R31.7Very low31.1Very low218 Ų218131.8 Ų131.882%0.82374%0.738SS**  trans-50.4178138.3-101.6-168.3170.2-167.9-0.2111.7
534P35.4Very low30.9Very low97 Ų97136.6 Ų136.663%0.6374%0.738SS**  cis-132.8-116.9-35.235.4-14.2000108.1
535I30.4Very low30.9Very low154 Ų154134.7 Ų134.779%0.7974%0.735SS**  trans72.7131.9166.3-69160000113
536S28.5Very low30.5Very low99 Ų99131.2 Ų131.269%0.69273%0.732SS**  cis-172178.6-13.189.40000107.3
537S28.4Very low30.4Very low81 Ų81129.6 Ų129.657%0.56673%0.729SS**  cis-178.9139.3-2847.10000110.3
538T31Very low30.2Very low127 Ų127129.9 Ų129.978%0.77972%0.72SS**  trans61.5-172.4142.764.10000116.9
539P33.1Very low30.4Very low93 Ų93126.4 Ų126.460%0.60472%0.715SS**  -119.8-138.3-55.127.8-8.6000108.3
540N27.6Very low30Very low122 Ų122127.5 Ų127.565%0.65272%0.723SS**  trans73.1152.9161.9-60.1-25.1000113.9
541H31.4Very low29.8Very low148 Ų148126.1 Ų126.169%0.68571%0.713SS**  cis-170.2174-14.7-109.5-19.4000106.3
542N29.4Very low29.3Very low88 Ų88129 Ų12947%0.47171%0.713SS.*  cis-157.9132.1-5.3-129.9-34.8000109.3
543Q33.2Very low29.2Very low187 Ų187126.1 Ų126.187%0.87471%0.707SS**  -175.6114.5129.9-101.7156.4104.400108.6
544R27Very low29.1Very low214 Ų214120.9 Ų120.981%0.80870%0.701SS**  cis68.4116.943.2-157.4-174.3-169.1-167.46.6109.3
545A27.9Very low28.6Very low86 Ų86120.5 Ų120.571%0.71170%0.7SS**  cis-132.7166.825.100000110.9
546A25.7Very low28.4Very low88 Ų88121 Ų12173%0.72770%0.704SS**  cis64148.936.200000114.4
547P28.8Very low28.3Very low107 Ų107120.3 Ų120.370%0.69570%0.699SS**  cis-134.2-173.4-1931.4-9.2000113.4
548T24.5Very low28.1Very low113 Ų113121.7 Ų121.769%0.69370%0.704SS**  trans51.7115.8147.346.80000121.1
549T31.9Very low27.9Very low123 Ų123121.3 Ų121.376%0.75570%0.697SS**  27.5137.3122.455.40000119.5
550P27.7Very low27.7Very low117 Ų117124.1 Ų124.176%0.7670%0.702SS**  -153.9172.252.844.4-25.6000119.6
551S24.7Very low27.6Very low83 Ų83123.7 Ų123.758%0.5870%0.699SS**  trans81106.3133.2175.90000120.4
552K26Very low27.3Very low177 Ų177124.4 Ų124.477%0.7770%0.7SS**  71.8114.2130-63172.5-165.3171.20115.7
553T28.7Very low27.2Very low126 Ų126129.2 Ų129.277%0.77372%0.717SS**  48.4138.183.370.10000114.3
554P30.3Very low26.6Very low109 Ų109125.5 Ų125.571%0.70871%0.712SS**  cis-137.7-164.422.438.9-18.8000114.2
555S25Very low26.5Very low88 Ų88121.1 Ų121.162%0.61571%0.708SS**  trans78.6120.814070.60000117.5
556L26.5Very low26.4Very low164 Ų164122 Ų12286%0.85971%0.709SS**  68.113498.6-60.9174.3000113.1
557S25.4Very low26.3Very low85 Ų85125.4 Ų125.459%0.59471%0.71SS**  cis-175.3169.2-6.750.90000108.6
558V25.1Very low26.1Very low111 Ų111125.9 Ų125.967%0.67371%0.707SS**  trans0.4124.4132-165.90000115.1
559N26.9Very low26.2Very low119 Ų119126 Ų12664%0.63671%0.707SS**  trans164.2121.7130.2-87.5-52.5000110
560Q28.3Very low25.9Very low152 Ų152125.8 Ų125.871%0.7171%0.707SS**  73.2145.675.2-76.2-166.144.100113.4
561L25.7Very low25.8Very low112 Ų112127.4 Ų127.459%0.58671%0.709SS**  cis-179.9151.6-6.5171.269.5000109.6
562K25.1Very low26Very low163 Ų163128.9 Ų128.971%0.70972%0.719SS**  trans59.4132.2159.2-79.1160.9-164.3166.50120.7
563K26.4Very low26.1Very low190 Ų190129.9 Ų129.983%0.82672%0.723SS**  32.2127.7126.5-54.4-179.5177.4-173.20119.9
564S22.1Very low26.1Very low108 Ų108131.1 Ų131.176%0.75572%0.724SS**  -170.2115.7102.957.40000109.9
565V24.6Very low25.9Very low122 Ų122133.3 Ų133.374%0.73973%0.727SS**  70.812289.1171.90000113.7
566S24.2Very low25.8Very low105 Ų105134.5 Ų134.573%0.73473%0.727SS**  trans68154.5160.280.30000117
567E25.2Very low25.8Very low160 Ų160133 Ų13375%0.74872%0.719SS**  cis-162.4164.3-18.2-120.4179.9-154.400110.2
568N24Very low25.9Very low117 Ų117133.3 Ų133.363%0.62672%0.722SS**  trans45.5111.1145-69.3-43.4000120.9
569T27.5Very low26.1Very low114 Ų114136.8 Ų136.870%0.69973%0.73SS**  50.7114.9110.5-47.90000118.6
570T25.1Very low26.1Very low120 Ų120134.3 Ų134.374%0.73673%0.733SS**  -174.9133115.523.20000115.3
571N25.1Very low26.1Very low150 Ų150133 Ų13380%0.80273%0.734SS**  trans44.9112.1135.1-54.3-22.6000121.7
572S28.9Very low26.2Very low114 Ų114134.7 Ų134.780%0.79774%0.744SS**  -147.2112.2129.866.60000113.7
573K28.3Very low26.3Very low199 Ų199130.7 Ų130.787%0.86574%0.737SS**  trans23.5124.1143.6-62.8174.3-177.2174.60117.5
574L28.5Very low26.6Very low151 Ų151129.6 Ų129.679%0.79173%0.734SS**  cis53.68432.9-154.6174.2000113.2
575M25.2Very low26.9Very low156 Ų156131.8 Ų131.877%0.76873%0.733SS**  trans-178.5128.6133.8-103.1-171.9172.100114.5
576N24.3Very low27.1Very low113 Ų113134.6 Ų134.660%0.60474%0.735SS**  65.2119.5129.9-61.64.8000123.3
577N25.8Very low27.4Very low132 Ų132139.2 Ų139.271%0.70674%0.736SS**  83.797.9118.2-64.26.5000122.2
578S26.9Very low28Very low92 Ų92134.1 Ų134.164%0.64372%0.717SS**  81.3148.2105.877.80000122.5
579H29.6Very low28.5Very low184 Ų184133 Ų13385%0.85271%0.711SS**  trans65.5127.1172.5-53.5-74000116.9
580G27.3Very low28.6Very low67 Ų67132.2 Ų132.269%0.69171%0.71SS**  cis147.5-172.5-9.900000113.5
581V27.3Very low28.8Very low123 Ų123131.6 Ų131.675%0.74571%0.711SS**  trans80.1117165.3-170.90000116.7
582D28.6Very low29.1Very low148 Ų148130.1 Ų130.179%0.79171%0.707SS**  trans61.1148.2152.6-63-12.9000122
583S27.7Very low28.9Very low80 Ų80130.5 Ų130.556%0.55970%0.7SS**  cis-170.2158.2-20.956.70000110.8
584H33.1Very low28.8Very low166 Ų166125.5 Ų125.577%0.76969%0.686SS**  trans61.6155.1161-58.9-59.8000118.8
585Q28.5Very low28.6Very low155 Ų155126.2 Ų126.272%0.72468%0.683SS**  cis-161.8148-38.7-151.2178.527.600108.8
586K26.8Very low28.6Very low180 Ų180128 Ų12878%0.78369%0.686SS**  trans71.5111170.8-52.1178.9-177.5178.40117.8
587R31.6Very low28.6Very low202 Ų202127.5 Ų127.576%0.76269%0.692SS**  22.7150.7107.4-108-175-161.6-169.8-1.3117.5V1910R587-V1910 HydrophobicContact CG-CB 4.27Å; R587-V1910 HydrophobicContact CG-CG1 4.12Å
588P38.3Very low28.7Very low53 Ų53129.6 Ų129.634%0.34470%0.695SS.*  cis-123.1-149.3-91.826.9000114.2V1910 V1911 P1912P588-V1910 HydrophobicContact CB-CB 4.11Å; P588-V1910 HydrophobicContact CB-CG1 4.18Å; P588-V1910 WeakPolarHBondContact CB-O 3.24Å; P588-V1911 WeakPolarHBondContact CG-O 3.33Å; P588-P1912 HydrophobicContact CB-CG 4.46Å; P588-P1912 HydrophobicContact CG-CB 3.78Å; P588-P1912 HydrophobicContact CG-CG 3.53Å
589L34.5Very low28.6Very low95 Ų95132.2 Ų132.250%0.49770%0.702SS.*  trans-145.5-174.6-168.9-124.364.5000109.2N1909 V1910L589-N1909 WeakPolarHBondContact CB-O 3.35Å; L589-V1910 CarbonylContact C-O 3.25Å; L589-V1910 WeakPolarHBondContact CA-O 3.4Å; L589-V1910 PolarHBondContact N-O 2.89Å
590S28.7Very low28.5Very low97 Ų97127 Ų12768%0.67869%0.691SS**  cis-148.8135.3-7.451.30000111.6
591S29.3Very low28.6Very low107 Ų107129 Ų12975%0.74869%0.693SS**  trans-157.6173.7172.1580000110.1
592V30.9Very low28.7Very low119 Ų119132.6 Ų132.672%0.72170%0.699SS**  trans73.7114.9144.6156.60000119.4
593D26.2Very low28.9Very low121 Ų121131.1 Ų131.165%0.64770%0.697SS**  79.1116.3129.2-74.320.5000126.6
594T25.5Very low28.9Very low95 Ų95134.1 Ų134.158%0.58371%0.706SS**  85.2145.9117.970.80000124
595K24.7Very low28.6Very low166 Ų166131.6 Ų131.672%0.72270%0.702SS**  trans68.2123.6139.5-74.8153.1-164153.20120
596K24.9Very low28.6Very low194 Ų194129.5 Ų129.584%0.84370%0.7SS**  trans50.9129.3136-61.1178.3175.7179.90118.8
597S24.4Very low28.6Very low102 Ų102126.4 Ų126.471%0.71370%0.697SS**  176.8108.4115.6174.20000114.9
598F26.8Very low28.6Very low175 Ų175122 Ų12277%0.76869%0.693SS**  trans50135.1137.2-72.7-86.6000123.6
599N26.5Very low28.1Very low148 Ų148129 Ų12979%0.79172%0.718SS**  trans75.1154.6138.8-67.2-21000120.3
600A26.7Very low28.1Very low75 Ų75129.9 Ų129.962%0.6273%0.729SS**  cis-177.4162.9-25.200000111
601S28.3Very low28.3Very low107 Ų107131.6 Ų131.675%0.74874%0.735SS**  trans81.3129.8166.9-36.50000115.1
602K30.2Very low28.1Very low199 Ų199133.7 Ų133.787%0.86574%0.738SS**  cis66.8144.843.9-60.1-177.1177.2178.20113.8
603P32.4Very low28.2Very low117 Ų117131.5 Ų131.576%0.7674%0.739SS**  cis-108.3-133.12.222.42.7000110.7
604L27.6Very low28.4Very low143 Ų143134 Ų13475%0.74975%0.747SS**  cis-163.4123.54.5-170.562.4000114
605V27.5Very low28.6Very low113 Ų113134.8 Ų134.869%0.68575%0.747SS**  21.8133.1129.1-176.80000117.5
606T27.8Very low28.8Very low111 Ų111135.1 Ų135.168%0.68175%0.748SS**  -178.1144.369.2-16.50000113.1
607T28.6Very low28.9Very low115 Ų115131.3 Ų131.371%0.70674%0.742SS**  trans43.6153.2137.960.10000123.7
608T30.3Very low29.2Very low110 Ų110131.9 Ų131.968%0.67574%0.741SS**  cis-175.2145.4-3.2290000114
609K28.7Very low29.4Very low200 Ų200129.9 Ų129.987%0.8774%0.743SS**  trans75.1160.7138.4-74.1-173.7174.5-173.10122.5
610P34.3Very low29.5Very low113 Ų113129.6 Ų129.673%0.73473%0.731SS**  trans-121.3-166.6-156.845.7-33.4000114.7
611V32.2Very low29.9Very low134 Ų134130 Ų13081%0.81273%0.728SS**  trans179.7158.2137.6142.70000114.9
612N26.8Very low30.1Very low151 Ų151129.9 Ų129.981%0.80772%0.718SS**  trans-59.8174.2-173.6-45.4-5000120.2
613G32.9Very low30.3Very low72 Ų72126.3 Ų126.374%0.74272%0.718SS**  trans132105154.800000113.6
614E28.9Very low30.4Very low175 Ų175124.2 Ų124.282%0.81872%0.718SS**  cis92.8147.224.9-140.6-153.8153.600115.9
615L30.5Very low30.6Very low111 Ų111123 Ų12358%0.58172%0.718SS**  trans87.1111.4167.8-88.663.9000123.3
616K28.2Very low30.7Very low172 Ų172126.8 Ų126.875%0.74873%0.726SS**  70.5159.4121.4-71.1178.3-171.2166.80120.9
617T28.3Very low30.9Very low114 Ų114126.8 Ų126.870%0.69973%0.726SS**  cis-158.3147-1150000108.2
618T29.4Very low30.9Very low115 Ų115127.6 Ų127.671%0.70673%0.731SS**  94.4150.950.6-48.40000115.2
619T31.2Very low31Very low133 Ų133127.8 Ų127.882%0.81673%0.734SS**  trans96.3144167.968.60000118.5
620R28.8Very low31Very low141 Ų141126.7 Ų126.753%0.53274%0.736SS.*  cis-164.5148.7-31.1-144.7-97.8-17495.311.7111.9T2033 S2034R620-T2033 PolarHBondContact NH2-O 3.36Å; R620-T2033 PolarHBondContact NH2-OG1 3.31Å; R620-S2034 PolarHBondContact NE-O 2.79Å; R620-S2034 PolarHBondContact NH2-O 2.78Å
621P35.1Very low30.8Very low85 Ų85124.4 Ų124.455%0.55273%0.733SS**  trans-101.8179.9-177.60.722.1000115.8P2035P621-P2035 HydrophobicContact CB-CG 4.17Å; P621-P2035 HydrophobicContact CG-CG 3.72Å
622L33.4Very low30.6Very low103 Ų103127.9 Ų127.954%0.53974%0.738SS.*  trans154144.8140.7-88.7150.8000118.3P2035L622-P2035 HydrophobicContact CD1-CB 4.02Å; L622-P2035 HydrophobicContact CD1-CG 4.33Å; L622-P2035 HydrophobicContact CD2-CB 3.68Å; L622-P2035 HydrophobicContact CD2-CG 4.42Å; L622-P2035 HydrophobicContact CG-CB 3.78Å; L622-P2035 HydrophobicContact CG-CG 4.03Å
623S33.6Very low30.7Very low124 Ų124125.7 Ų125.787%0.86773%0.731SS**  trans110.4133.613776.30000122.9
624G33.9Very low30.6Very low73 Ų73131.7 Ų131.775%0.75374%0.737SS**  trans154.6129170.300000115
625P32.4Very low30.7Very low118 Ų118127.9 Ų127.977%0.76673%0.726SS**  trans-142.1174.1-167.246-30.5000120.2
626K29.1Very low30.7Very low193 Ų193127.9 Ų127.984%0.83973%0.731SS**  trans76.9156.8155.8-75176.9177.5-176.50118.4
627T31.5Very low30.7Very low111 Ų111125 Ų12568%0.68173%0.727SS**  cis-162.7136.912.3-4.10000116.3
628T30.3Very low30.9Very low132 Ų132124.2 Ų124.281%0.8172%0.723SS**  trans67.7161142.740.70000124.1
629P31.6Very low31.3Very low114 Ų114123.7 Ų123.774%0.7472%0.72SS**  trans-131.9-162.9-15247.2-31.4000116.1
630L28.9Very low31.3Very low176 Ų176120.3 Ų120.392%0.92171%0.705SS**  155.3133.2120.5-168.669.5000115.9
631G30.4Very low31.6Very low65 Ų65122.2 Ų122.267%0.6772%0.72SS**  trans92.1125.816700000115.7
632K27.2Very low31.7Very low208 Ų208129.8 Ų129.890%0.90474%0.737SS**  cis86.3146.836.8-72.1-166.7172.8-169.80114.6
633P29.8Very low31.8Very low104 Ų104131.7 Ų131.768%0.67575%0.747SS**  cis-147.6170-48.941.2-23.3000116.2
634K30.3Very low31.8Very low199 Ų199131.1 Ų131.187%0.86574%0.739SS**  trans61.4169.1153.2-84.1-166.1168.4-160.90118.3
635T30.3Very low31.8Very low94 Ų94131.7 Ų131.758%0.57774%0.737SS**  cis-157.2135.7-14.2-112.50000107.4
636T31Very low31.9Very low112 Ų112134.9 Ų134.969%0.68774%0.741SS**  52.8141.3102.3-2.70000115.4
637T29Very low32Very low110 Ų110129.8 Ų129.868%0.67573%0.729SS**  cis-164.3162.830.4-28.60000115
638T32.9Very low31.8Very low99 Ų99130.8 Ų130.861%0.60773%0.731SS**  trans45.6116.2149.541.40000125.1
639T37.2Very low31.9Very low104 Ų104132.4 Ų132.464%0.63873%0.734SS**  33102.7113-39.40000121.1
640A31.5Very low31.9Very low61 Ų61131.3 Ų131.350%0.50473%0.725SS.*  trans-170.9-48.8140.700000111.9R642A640-R642 VanDerWaalsContact C-N 3.28Å; A640-R642 PolarHBondContact O-N 3.3Å
641E34.8Very low31.9Very low182 Ų182129.3 Ų129.385%0.8572%0.715SS**  trans-79.937.3-162.6-53174.4116.800116.1
642R36.9Very low31.8Very low243 Ų243134.1 Ų134.192%0.91772%0.72SS**SBendtrans-118.115.2-175-119.8179.3-174-177.21.4117A640A640-R642 VanDerWaalsContact C-N 3.28Å; A640-R642 PolarHBondContact O-N 3.3Å
643L34.8Very low32Very low143 Ų143132.5 Ų132.575%0.74972%0.715SS**SBendtrans-116.7163.5158.1-66.2170.9000108.4A645L643-A645 VanDerWaalsContact C-N 3.26Å; L643-A645 PolarHBondContact O-N 3.25Å
644T35.1Very low31.9Very low112 Ų112131 Ų13169%0.68772%0.718SS**SBendtrans69.6-9.1173.5-39.30000117.9
645A33.6Very low31.7Very low85 Ų85126.1 Ų126.170%0.70271%0.709SS**SBendtrans-113.121-177.700000117.5L643L643-A645 VanDerWaalsContact C-N 3.26Å; L643-A645 PolarHBondContact O-N 3.25Å
646H34.9Very low31.6Very low186 Ų186130.8 Ų130.886%0.86172%0.722SS**SBendtrans-135.311.9161.6-150.9-59.9000113.5
647S29.1Very low31.5Very low85 Ų85130 Ų13059%0.59473%0.727SS**SBendtrans-78.1146.1144.8-165.60000107.5
648N28.9Very low31.7Very low132 Ų132130 Ų13071%0.70673%0.729SS**  trans68.553.5170.5-60.1-25.2000120V650N648-V650 HydrophobicContact CB-CG2 4.37Å
649L32.5Very low31.5Very low167 Ų167130.1 Ų130.187%0.87473%0.733SS**  trans-144.863142-153.3123.4000110
650V30.6Very low31.1Very low91 Ų91136 Ų13655%0.55274%0.744SS**  58.6102.563168.20000112.8N648N648-V650 HydrophobicContact CB-CG2 4.37Å
651N28.4Very low30.8Very low134 Ų134142.4 Ų142.472%0.71776%0.76SS**  trans46.8109.2146.8-56.9-21000120
652Q28.1Very low30.5Very low166 Ų166139 Ų13978%0.77676%0.756SS**  -179.5162.3110.6-96.2155.795.400114.3
653H33.2Very low30.1Very low173 Ų173135.7 Ų135.780%0.80175%0.751SS**  trans64.4120.3175.6-46.5-67.6000116.1
654G26.2Very low30Very low72 Ų72133.7 Ų133.774%0.74275%0.747SS**  cis85127.413.700000111.7
655S26.8Very low29.5Very low97 Ų97133.5 Ų133.568%0.67875%0.746SS**  cis-171177.919.556.90000112.5
656K28.6Very low29.1Very low193 Ų193134.8 Ų134.884%0.83975%0.745SS**  trans78112.7165.4-58.2159-172.2174.40115.6
657A28Very low28.8Very low96 Ų96133.7 Ų133.779%0.79374%0.74SS**  cis88.7158.644.800000114
658P33.3Very low28.7Very low110 Ų110137.6 Ų137.671%0.71475%0.753SS**  cis-135.2-176.1-7.541.2-24.6000115.6
659S28.7Very low28.6Very low100 Ų100135.2 Ų135.270%0.69975%0.752SS**  trans76.8150.1148.381.50000119.1
660R28.9Very low28.3Very low229 Ų229133.4 Ų133.486%0.86474%0.743SS**  cis-162.5158.6-8-119.5167.4-165.2171.82.8110.4
661K25.2Very low28.1Very low194 Ų194136.9 Ų136.984%0.84375%0.751SS**  trans4.6141.5141-62.4-170.9179.5-163.10117.9
662S28.5Very low28Very low111 Ų111136.8 Ų136.878%0.77675%0.75SS**  cis-170.8171.65.650.40000112.7
663E28.9Very low28Very low173 Ų173135.7 Ų135.781%0.80875%0.745SS**  trans-45.1-178.8144.1-74.5-171.7100.200115.7
664P31.9Very low27.8Very low101 Ų101131.9 Ų131.966%0.65673%0.734SS**  cis-131.8-159.5-7.318.48.6000113.9
665T25.3Very low27.9Very low109 Ų109136.5 Ų136.567%0.66973%0.733SS**  trans75.7110.9140.9170000122.8
666T25.4Very low28.1Very low111 Ų111140.8 Ų140.868%0.68174%0.74SS**  trans62.7170.5131.654.10000122.3
667H28.9Very low28.2Very low164 Ų164135.5 Ų135.576%0.75973%0.732SS**  trans72.772.4170-59.6-68.6000118.9A669H667-A669 PolarHBondContact O-N 2.86Å
668L26.6Very low28.4Very low166 Ų166136 Ų13687%0.86973%0.73SS**  21.2104.3105.7-175.6138.2000115.7
669A26.5Very low28.4Very low82 Ų82135.2 Ų135.268%0.67873%0.727SS**  trans-171117.814100000114H667H667-A669 PolarHBondContact O-N 2.86Å
670N26.1Very low28.5Very low129 Ų129136.9 Ų136.969%0.6973%0.727SS**  trans50.9125.2130.7-78.2-79.4000121.8
671K26.1Very low28.6Very low165 Ų165132.8 Ų132.872%0.71772%0.723SS**  85.2119.4124-75.1176.6177.9172.50121.2
672L25.8Very low28.7Very low131 Ų131128.6 Ų128.669%0.68671%0.713SS**  78.9117.1122.7-63.8172.6000120.1
673Q29.6Very low28.9Very low144 Ų144129.7 Ų129.767%0.67372%0.715SS**  95.492.7120.3-75.8-173.116.500121.8
674T28.3Very low28.9Very low93 Ų93125.7 Ų125.757%0.57171%0.706SS**  85.8144.3109.765.20000121.9
675K28.7Very low28.7Very low168 Ų168127.2 Ų127.273%0.7371%0.708SS**  trans76.2148.5148.2-69.4146.7-160.5148.20115.2
676K30.8Very low29.1Very low187 Ų187132.6 Ų132.681%0.81372%0.717SS**  cis-152.3157.210.1-138.9168.6-179.8-173.90113
677A31.2Very low29.3Very low83 Ų83133.6 Ų133.669%0.68672%0.722SS**  trans-11.1162.8150.700000118.6
678S32.3Very low29.6Very low106 Ų106131.2 Ų131.274%0.74172%0.721SS**  -178.4166.358.6-38.50000109.6
679S33.1Very low29.7Very low94 Ų94128.5 Ų128.566%0.65772%0.716SS**  cis-175.9144.6-4.9330000112.4
680L29.2Very low29.8Very low134 Ų134128.7 Ų128.770%0.70272%0.717SS**  trans39.5130.7140.3-68.182.5000121.1
681N31.6Very low30Very low144 Ų144132.1 Ų132.177%0.7773%0.726SS**  171.7161.193.4-87.4-61.9000111.9
682V27.5Very low30.4Very low106 Ų106129.5 Ų129.564%0.64273%0.726SS**  cis177.2157.5-42.6131.50000109.4
683V32.6Very low30.7Very low134 Ų134130.6 Ų130.681%0.81273%0.731SS**  trans82.2146.1176.9-162.70000116.9
684S28.3Very low30.5Very low89 Ų89131.5 Ų131.562%0.62273%0.733SS**  cis177.6155.8-42.4-166.40000111.2
685N29.6Very low30.5Very low132 Ų132134 Ų13471%0.70674%0.738SS**  trans85.2117.2155-67-56.5000123
686R31.9Very low30.4Very low223 Ų223132.4 Ų132.484%0.84273%0.733SS**  trans74.7103.3135.6-67-179.5174.5-173-4.4122.2
687V30.2Very low30.1Very low132 Ų132127.1 Ų127.180%0.872%0.72SS**  45.3133.793.2176.90000117.4
688P35.9Very low29.9Very low113 Ų113131.8 Ų131.873%0.73473%0.727SS**  cis-141.3-175.1-13.840.9-22000116.7
689S28.6Very low29.8Very low110 Ų110131.8 Ų131.877%0.76972%0.723SS**  trans84116.4140.6-157.60000122.3
690A29.4Very low29.6Very low85 Ų85135.2 Ų135.270%0.70273%0.732SS**  trans49.4119.6140.100000122.2
691K30Very low29.8Very low202 Ų202132.1 Ų132.188%0.87873%0.733SS**  -173167.5107-101.7178178.8-1770113.5
692P33Very low29.9Very low109 Ų109134.2 Ų134.271%0.70874%0.735SS**  trans-98.4-147.2-169.542.3-38.8000112.6
693I33.3Very low29.9Very low154 Ų154134.5 Ų134.579%0.7974%0.737SS**  trans95.7112.7-175.5-56.5154.8000109.7
694K25.2Very low29.8Very low164 Ų164133 Ų13371%0.71373%0.729SS**  cis82.5141.738.1-158.5-156.1175.5-149.60112.6
695E28.5Very low29.8Very low144 Ų144136.6 Ų136.667%0.67374%0.736SS**  trans66.8155.1175.1-74.3148.7-146.900115.3
696E26.5Very low29.6Very low136 Ų136136.9 Ų136.964%0.63674%0.736SS**  cis-170.3151.6-37.4-130.3-157.2178.300108K2113E696-K2113 VanDerWaalsContact CD-NZ 3.28Å; E696-K2113 IonicContact OE1-NZ 3.2Å; E696-K2113 PolarHBondContact OE1-NZ 3.07Å; E696-K2113 IonicContact OE2-NZ 2.74Å
697S25.2Very low29.5Very low76 Ų76131.3 Ų131.353%0.53173%0.727SS.*  trans65.5139.6149-53.80000121.8
698E26.1Very low29.3Very low180 Ų180131.5 Ų131.584%0.84172%0.724SS**  trans69152.2153.3-68.9-175.715900119.3
699T30.6Very low28.8Very low107 Ų107131.1 Ų131.166%0.65672%0.723SS**  cis-154.9138.85.66.10000114.2
700I28.3Very low28.8Very low165 Ų165131 Ų13185%0.84672%0.722SS**  trans44120.7139.8-57.7173.3000121.9
701G32.7Very low28.7Very low70 Ų70134.5 Ų134.572%0.72273%0.729SS**  trans120.8156.7135.500000118.2
702K33.7Very low28.9Very low188 Ų188129.9 Ų129.982%0.81772%0.719SS**  cis-173.2137.7-15.5-149.1-175.4-175.8-177.70111.6
703T29.1Very low28.8Very low112 Ų112130.4 Ų130.469%0.68772%0.722SS**  trans75.9138151.818.60000124.1
704T28.7Very low28.6Very low103 Ų103129 Ų12963%0.63272%0.721SS**  trans73.2120.8141.846.10000124.3
705E28.8Very low28.7Very low164 Ų164124 Ų12477%0.76670%0.704SS**  69151.2126.5-62.3178.1-17200120.1
706L26.8Very low28.6Very low137 Ų137123.7 Ų123.772%0.71771%0.707SS**  cis-166.7168.9-10.8-111.5167.9000110
707V28.4Very low28.6Very low107 Ų107124.7 Ų124.765%0.64871%0.711SS**  trans73.5103.9148165.90000120.9
708N26.2Very low28.5Very low136 Ų136127.9 Ų127.973%0.72772%0.722SS**  69128.2125.1-55.83.6000125.1
709S25.3Very low28.4Very low104 Ų104127.2 Ų127.273%0.72772%0.723SS**  90.4127.8123.763.60000123.3
710S29.2Very low28Very low107 Ų107126.2 Ų126.275%0.74872%0.72SS**  trans70.6138.3150.670.20000119.1
711L27.7Very low27.9Very low160 Ų160126.1 Ų126.184%0.83872%0.721SS**  cis-161.4-168.5-17.2-122.8156.7000108.7
712P33.7Very low27.5Very low105 Ų105128.2 Ų128.268%0.68272%0.715SS**  trans-79.1179.4-137.546.9-39.4000114.9
713P30.3Very low27.3Very low119 Ų119127.6 Ų127.677%0.77372%0.721SS**  cis-147.1-164.332.943.7-20000119.5
714V29.7Very low27.2Very low125 Ų125128.2 Ų128.276%0.75872%0.716SS**  trans-43.4155177.9-145.90000113.2
715T26.3Very low27Very low58 Ų58130.1 Ų130.136%0.35672%0.721SS.*  -167.9141.451.4-51.60000114.8P894 F895T715-P894 PolarHBondContact OG1-O 2.86Å; T715-P894 VanDerWaalsContact OG1-O 3.14Å; T715-F895 WeakPolarHBondContact CB-O 2.99Å; T715-F895 PolarHBondContact OG1-O 3.1Å
716L27.8Very low26.8Very low139 Ų139128.9 Ų128.973%0.72873%0.725SS**  trans45.1150.8156.5-63.5172.1000122.2
717Q25.3Very low26.8Very low156 Ų156126.3 Ų126.373%0.72972%0.719SS**  cis-168.4173-34.1-134.3178.717.600110.8
718N23Very low26.8Very low143 Ų143126.1 Ų126.177%0.76572%0.718SS**  trans74.8154.6172.3-64-29.4000118.2
719I23.8Very low26.9Very low167 Ų167125.8 Ų125.886%0.85672%0.716SS**  trans83.1113.9-171.3-56176.2000115.9
720S23.4Very low27Very low86 Ų86124.3 Ų124.360%0.60170%0.703SS**  trans34.7133.7143.8-158.90000122.8
721L26Very low26.9Very low163 Ų163127.2 Ų127.285%0.85371%0.708SS**  trans-169.6104.1131.1-99.1161.8000106.4
722N25.2Very low27Very low114 Ų114126.9 Ų126.961%0.6171%0.706SS**  41108.574.7-7920.8000114.3
723N27.7Very low27Very low175 Ų175125.4 Ų125.494%0.93669%0.692SS**  trans-143.9115.4150.6-110.3-27.1000108
724E27Very low26.9Very low125 Ų125125 Ų12558%0.58469%0.692SS**  trans-95.3160.6-168.3-71.1175.579.200113.7
725L25.1Very low26.7Very low142 Ų142126.5 Ų126.574%0.74370%0.695SS**  trans47.3115.2143.8-66.1164.3000119.5
726T25.5Very low26.9Very low139 Ų139131.8 Ų131.885%0.85372%0.718SS**  -169.7147.8114.414.20000115.2
727S26.7Very low26.9Very low82 Ų82132.3 Ų132.357%0.57371%0.714SS**  trans52.394.7155.465.80000121.1
728V27.7Very low27Very low104 Ų104129.7 Ų129.763%0.6371%0.713SS**  61125.4109.1158.90000121.9E2041V728-E2041 HydrophobicContact CG2-CG 3.94Å; V728-E2041 WeakPolarHBondContact CG2-OE1 3.23Å; V728-E2041 WeakPolarHBondContact CG2-OE2 3.45Å
729D28Very low27.2Very low129 Ų129128.3 Ų128.369%0.6971%0.714SS**  trans-5.1144.3141-109.4-41.4000116.9
730P29Very low27.4Very low72 Ų72127 Ų12747%0.46871%0.708SS.*  cis-154.4160.73640.7-19.4000119.9N733P730-N733 HydrophobicContact CB-CB 3.84Å; P730-N733 WeakPolarHBondContact CB-ND2 3.16Å; P730-N733 HydrophobicContact CG-CB 3.68Å; P730-N733 WeakPolarHBondContact CG-ND2 3.33Å
731M26.2Very low27.7Very low169 Ų169127.1 Ų127.183%0.83370%0.699SS**SBendtrans-121.6-6.4142.8-91.3-168.569.200115.6N733 S734M731-N733 PolarHBondContact O-N 3.32Å; M731-N733 VanDerWaalsContact O-N 3.09Å; M731-S734 PolarHBondContact O-N 2.94Å
732L29.8Very low27.7Very low153 Ų153124 Ų12480%0.80168%0.68SS**THydrogen-bonded Turntrans-75.911.5168-141.7131000113.5
733N32.7Very low27.8Very low74 Ų74122.4 Ų122.440%0.39667%0.671SS.*THydrogen-bonded Turntrans-94.8-7.3172.5-103.8-80.4000114.2P730 M731 K737P730-N733 HydrophobicContact CB-CB 3.84Å; P730-N733 WeakPolarHBondContact CB-ND2 3.16Å; P730-N733 HydrophobicContact CG-CB 3.68Å; P730-N733 WeakPolarHBondContact CG-ND2 3.33Å; M731-N733 PolarHBondContact O-N 3.32Å; M731-N733 VanDerWaalsContact O-N 3.09Å; N733-K737 WeakPolarHBondContact OD1-CE 3.27Å; N733-K737 PolarHBondContact OD1-NZ 2.64Å
734S28.8Very low28Very low111 Ų111118 Ų11878%0.77665%0.654SS**SBendtrans-86-4.9-178.3-155.40000114.2M731M731-S734 PolarHBondContact O-N 2.94Å
735L26.9Very low28.1Very low155 Ų155112 Ų11281%0.81263%0.626SS**SBendtrans-110.9-8.8-173.3-157.967.1000114.5
736M29.1Very low28.3Very low170 Ų170107.7 Ų107.784%0.83760%0.604SS**SBendtrans-141.338.8-172.7-72.5-160.4174.500115.3
737K29Very low28.6Very low150 Ų150105.8 Ų105.865%0.65259%0.585SS**SBendtrans-131.8120.7169.8-81.5176.1172.2163.70111.9N733N733-K737 WeakPolarHBondContact OD1-CE 3.27Å; N733-K737 PolarHBondContact OD1-NZ 2.64Å
738S27.6Very low28.8Very low100 Ų100106.3 Ų106.370%0.69958%0.581SS**  trans38.4101.6158.251.50000116.1
739S25.3Very low28.9Very low114 Ų114106.7 Ų106.780%0.79758%0.579SS**  37.2112.457-640000113.2
740I29.3Very low29.1Very low139 Ų139106.9 Ų106.971%0.71358%0.581SS**  trans76.9115.5175.6-48.4165.1000112.9
741H28.8Very low29.2Very low90 Ų90110.9 Ų110.942%0.41760%0.597SS.*  cis153.9127.827105.831.8000112.1D1604 F1605H741-D1604 PolarHBondContact CD2-O 3.26Å; H741-D1604 VanDerWaalsContact CD2-O 3.28Å; H741-D1604 IonicContact CE1-OD1 2.78Å; H741-D1604 IonicContact ND1-OD1 2.91Å; H741-F1605 HydrophobicContact CB-CB 3.53Å; H741-F1605 HydrophobicContact CB-CD2 4.29Å; H741-F1605 HydrophobicContact CB-CG 4.45Å; H741-F1605 WeakPolarHBondContact ND1-CB 3.22Å; H741-F1605 AromaticContact ND1-CD2 3.3Å; H741-F1605 VanDerWaalsContact ND1-CD2 3.3Å; H741-F1605 WeakPolarHBondContact ND1-CD2 3.38Å; H741-F1605 AromaticContact ND1-CG 3.55Å
742E27.1Very low29.3Very low97 Ų97107.7 Ų107.745%0.45359%0.592SS.*  trans100.9125.5159.1-110-169.7-165.400130.5F1605 A1606E742-F1605 VanDerWaalsContact CA-C 3.44Å; E742-F1605 VanDerWaalsContact CA-O 3.28Å; E742-F1605 WeakPolarHBondContact CA-O 3.49Å; E742-F1605 HydrophobicContact CB-CB 3.71Å; E742-F1605 HydrophobicContact CB-CD1 3.64Å; E742-F1605 HydrophobicContact CB-CD2 3.44Å; E742-F1605 VanDerWaalsContact CB-CD2 3.44Å; E742-F1605 HydrophobicContact CB-CE1 4.12Å; E742-F1605 HydrophobicContact CB-CE2 3.94Å; E742-F1605 HydrophobicContact CB-CG 3.25Å; E742-F1605 HydrophobicContact CB-CZ 4.25Å; E742-F1605 VanDerWaalsContact CG-CA 3.49Å; E742-F1605 HydrophobicContact CG-CB 3.44Å; E742-F1605 VanDerWaalsContact CG-CB 3.44Å; E742-F1605 HydrophobicContact CG-CD1 3.08Å; E742-F1605 HydrophobicContact CG-CD2 3.88Å; E742-F1605 HydrophobicContact CG-CE1 3.78Å; E742-F1605 HydrophobicContact CG-CE2 4.46Å; E742-F1605 HydrophobicContact CG-CG 3.12Å; E742-F1605 HydrophobicContact CG-CZ 4.41Å; E742-F1605 PolarHBondContact N-O 2.8Å; E742-F1605 WeakPolarHBondContact OE1-CD1 2.99Å; E742-F1605 WeakPolarHBondContact OE2-CE1 3.32Å; E742-A1606 VanDerWaalsContact CG-N 3.27Å
743N26.6Very low29.5Very low81 Ų81105.5 Ų105.543%0.43359%0.586SS.*  54147.8129.2-92.1-5.9000122.8I1607N743-I1607 CarbonylContact C-O 3.58Å; N743-I1607 VanDerWaalsContact C-O 3.25Å; N743-I1607 WeakPolarHBondContact CA-O 3.24Å
744S31.2Very low29.3Very low81 Ų81107.4 Ų107.457%0.56660%0.601SS**  cis-153.1158.50.247.90000109I1607 Q1608S744-I1607 CarbonylContact C-O 3.56Å; S744-I1607 WeakPolarHBondContact CA-O 3.27Å; S744-I1607 PolarHBondContact N-O 3.09Å; S744-Q1608 VanDerWaalsContact C-N 3.26Å; S744-Q1608 CarbonylContact C-O 3.43Å; S744-Q1608 VanDerWaalsContact O-O 3.09Å
745G29.5Very low29.2Very low1 Ų1108 Ų1081%0.0160%0.596CS.*  cis176.4148.1-9.200000112.3Q1608 R1609G745-Q1608 PolarHBondContact N-O 3.19Å; G745-R1609 VanDerWaalsContact C-N 3.27Å; G745-R1609 WeakPolarHBondContact O-CA 3.49Å; G745-R1609 WeakPolarHBondContact O-CB 3.47Å; G745-R1609 WeakPolarHBondContact O-CD 3.06Å; G745-R1609 WeakPolarHBondContact O-CG 3.08Å; G745-R1609 PolarHBondContact O-N 2.93Å; G745-R1609 PolarHBondContact O-NE 2.85Å
746N30.2Very low29.3Very low51 Ų51107 Ų10727%0.27359%0.587SS.*  trans76.9118.6170.6-49.465.4000122.6Q1608 R1609N746-Q1608 VanDerWaalsContact C-OE1 3.24Å; N746-R1609 WeakPolarHBondContact O-CA 3.23Å; N746-R1609 PolarHBondContact O-N 2.76Å; N746-R1609 PolarHBondContact OD1-NH2 2.88Å
747H31.7Very low29.1Very low98 Ų98107.1 Ų107.145%0.45458%0.583SS.*  79.9156.6124.7-69.8-153.4000118.8K1610 V1611H747-K1610 WeakPolarHBondContact O-CA 2.97Å; H747-V1611 PolarHBondContact O-N 2.84Å
748L30.1Very low29Very low94 Ų94105.6 Ų105.649%0.49259%0.586SS.*  cis-170178.7-8-107.1172.9000105.5V1611L748-V1611 HydrophobicContact CB-CG2 3.98Å; L748-V1611 VanDerWaalsContact N-CG2 3.34Å
749D30.4Very low28.9Very low111 Ų111107.5 Ų107.559%0.59459%0.586SS**  cis-129.7155.69.9-87.6-71.1000108.7
750N31.3Very low28.9Very low134 Ų134107.5 Ų107.572%0.71758%0.582SS**  cis-149.2-87.149.9-76.6-98.8000114.9
751L31.9Very low28.9Very low155 Ų155107.4 Ų107.481%0.81258%0.583SS**  trans-156.1159.5-143.4-77.2175.5000111.3
752S28Very low28.8Very low103 Ų103108.8 Ų108.872%0.7259%0.593SS**  cis-158.1155.9-18.7-159.80000110
753P34Very low29Very low106 Ų106112.1 Ų112.169%0.68861%0.609SS**  trans-129.1179.9-170.537.2-19.6000117.3
754T28.1Very low29.1Very low114 Ų114118.2 Ų118.270%0.69963%0.626SS**  trans89.9145.4147.47.50000122.1
755N28Very low29Very low125 Ų125120 Ų12067%0.66863%0.628SS**  trans83.6150.8147.1-68.9-23.5000120.5
756Q27.4Very low29Very low133 Ų133127.1 Ų127.162%0.62166%0.664SS**  cis-176.3160.9-26-155.8167.223.900110.1
757F26Very low28.8Very low172 Ų172128.7 Ų128.775%0.75468%0.679SS**  trans69.2162.1166.3-62.1-75.2000119
758V25.6Very low28.5Very low118 Ų118127.8 Ų127.872%0.71568%0.681SS**  cis-173.8-179.3-44.4103.10000109.6
759I27.3Very low28.5Very low140 Ų140124.2 Ų124.272%0.71867%0.667SS**  trans78.3101.9177.5-48.8-171.3000112.5
760T25.2Very low28.3Very low115 Ų115121.4 Ų121.471%0.70665%0.653SS**  83.9153.357.267.20000115.9
761D28.9Very low28.1Very low137 Ų137118.2 Ų118.273%0.73364%0.642SS**  trans73.2151.9170.4-68.6-44.2000118.5
762N26.4Very low28Very low118 Ų118114.5 Ų114.563%0.63162%0.622SS**  cis-169.2166-38-140.1-50.7000108.5
763Q31.6Very low28.1Very low168 Ų168115.6 Ų115.679%0.78562%0.616SS**  trans63.5163.8161.8-70.7171.660.700116.2
764R28.1Very low27.8Very low208 Ų208114.9 Ų114.979%0.78560%0.602SS**  cis-172.5168.4-40.5-135.2-179.2-175.8-149.23.1106.3
765I28.8Very low27.9Very low120 Ų120114.3 Ų114.362%0.61559%0.591SS**  trans72.1119.4147.4-77.5169.1000118
766I29.6Very low28Very low150 Ų150113.1 Ų113.177%0.76958%0.582SS**  trans49137.6131.3-54.9179.1000118.5
767S25.7Very low28.2Very low83 Ų83112.2 Ų112.258%0.5858%0.577SS**  cis178.1162.5-14.9-86.70000106.2
768T25.4Very low28.7Very low80 Ų80107.4 Ų107.449%0.49156%0.558SS.*  trans52.7123.7145.4530000122.5S1688 T1689T768-S1688 VanDerWaalsContact CG2-O 3.22Å; T768-S1688 WeakPolarHBondContact CG2-O 3.5Å; T768-T1689 CarbonylContact C-O 3.44Å; T768-T1689 VanDerWaalsContact CA-O 3.28Å; T768-T1689 WeakPolarHBondContact CA-O 3.43Å
769G29.7Very low29Very low19 Ų19106.8 Ų106.820%0.19656%0.556CS.*  trans163.4114.3157.600000115.1S1688 T1689 I1690 Q1691G769-S1688 WeakPolarHBondContact CA-OG 3.32Å; G769-T1689 PolarHBondContact N-O 2.93Å; G769-I1690 CarbonylContact O-C 3.59Å; G769-I1690 WeakPolarHBondContact O-CA 3.32Å; G769-Q1691 WeakPolarHBondContact O-CA 3.27Å; G769-Q1691 WeakPolarHBondContact O-CG 3.19Å; G769-Q1691 PolarHBondContact O-N 3.22Å
770T27.4Very low29.3Very low52 Ų52104.6 Ų104.632%0.31954%0.542SS..  trans-92.3161.9177.225.30000115.5S1688 T1689 I1690T770-S1688 PolarHBondContact N-OG 3.47Å; T770-S1688 PolarHBondContact OG1-OG 2.79Å; T770-T1689 HydrophobicContact CG2-CG2 3.35Å; T770-T1689 WeakPolarHBondContact CG2-OG1 3.44Å; T770-T1689 VanDerWaalsContact OG1-CG2 3.23Å; T770-T1689 WeakPolarHBondContact OG1-CG2 3.44Å; T770-I1690 WeakPolarHBondContact CG2-O 3.37Å
771S27Very low29.8Very low67 Ų67105.1 Ų105.147%0.46954%0.537SS..  144.412799.8-143.10000114
772L29Very low30.2Very low77 Ų77104.4 Ų104.440%0.40354%0.537SS..  trans61.2179.8158.5-56.8166.2000114.4M1692L772-M1692 WeakPolarHBondContact O-CG 3.1Å
773Q29.8Very low30.6Very low126 Ų126103.2 Ų103.259%0.58953%0.534SS*.  cis-162.7137-11.8-132.1162.12.100112.2Q1694 H1695Q773-Q1694 CarbonylContact C-O 3.38Å; Q773-H1695 PolarHBondContact O-NE2 2.85Å
774K28Very low30.9Very low90 Ų90104.5 Ų104.539%0.39154%0.537SS..  trans62.6130.5145.4-89.8-166.1143.4-72.30125.1Q1694 H1695 H1696 D1697K774-Q1694 WeakPolarHBondContact CA-O 3.26Å; K774-Q1694 PolarHBondContact N-O 3.04Å; K774-H1695 PolarHBondContact O-CE1 2.98Å; K774-H1695 PolarHBondContact O-ND1 2.96Å; K774-H1696 HydrophobicContact CG-CB 4.16Å; K774-D1697 WeakPolarHBondContact CE-OD2 3.13Å; K774-D1697 IonicContact NZ-OD2 2.66Å; K774-D1697 PolarHBondContact NZ-OD2 2.79Å
775E31.1Very low31.1Very low102 Ų102100.2 Ų100.248%0.47753%0.526SS..  trans109.7142.4156.5-82.164.3-72.500123.8H1695 H1696E775-H1695 PolarHBondContact N-ND1 2.86Å; E775-H1695 VanDerWaalsContact N-ND1 3.18Å; E775-H1695 PolarHBondContact O-ND1 2.95Å; E775-H1696 CarbonylContact C-O 3.17Å; E775-H1696 WeakPolarHBondContact CA-O 3.31Å; E775-H1696 PolarHBondContact N-O 3.34Å
776E30.2Very low31.5Very low100 Ų10099.7 Ų99.747%0.46753%0.53SS..  trans-121.4-172.8-137.3-136.3160.8-135.600120H1696 D1697 E1698E776-H1696 WeakPolarHBondContact CB-O 3.36Å; E776-H1696 PolarHBondContact N-O 3Å; E776-H1696 VanDerWaalsContact OE1-CA 3.29Å; E776-H1696 WeakPolarHBondContact OE1-CA 3.09Å; E776-H1696 PolarHBondContact OE1-N 3.01Å; E776-D1697 VanDerWaalsContact CD-N 3.32Å; E776-D1697 PolarHBondContact OE1-N 3.02Å; E776-D1697 VanDerWaalsContact OE2-CA 3.24Å; E776-D1697 WeakPolarHBondContact OE2-CA 3.11Å; E776-D1697 PolarHBondContact OE2-N 3.13Å; E776-E1698 PolarHBondContact OE2-N 3.08Å; E776-E1698 VanDerWaalsContact OE2-N 3.09Å
777E31.5Very low31.6Very low114 Ų114100.2 Ų100.253%0.53353%0.53SS..  trans71.2173149.2-91.9-176.6-176.300126.5
778E35.5Very low31.9Very low72 Ų72102.9 Ų102.934%0.33653%0.533SS..  trans-117.7-169.7-163.8-154.4177.1-177.200113.7R1646 V1647 D1648E778-R1646 VanDerWaalsContact CD-NH1 3.3Å; E778-R1646 IonicContact OE1-CZ 3.92Å; E778-R1646 IonicContact OE1-NE 2.61Å; E778-R1646 IonicContact OE1-NH1 3.78Å; E778-R1646 PolarHBondContact OE1-NH1 3.36Å; E778-R1646 IonicContact OE1-NH2 3.38Å; E778-R1646 PolarHBondContact OE1-NH2 3.02Å; E778-R1646 WeakPolarHBondContact OE2-CD 3.29Å; E778-R1646 IonicContact OE2-CZ 3.22Å; E778-R1646 IonicContact OE2-NE 2.8Å; E778-R1646 PolarHBondContact OE2-NE 2.78Å; E778-R1646 IonicContact OE2-NH1 2.68Å; E778-R1646 PolarHBondContact OE2-NH1 3Å; E778-R1646 IonicContact OE2-NH2 2.65Å; E778-R1646 PolarHBondContact OE2-NH2 2.86Å; E778-V1647 HydrophobicContact CB-CG2 4.33Å; E778-V1647 HydrophobicContact CG-CG2 4.42Å; E778-D1648 VanDerWaalsContact C-OD2 3.28Å; E778-D1648 WeakPolarHBondContact CB-OD2 3.24Å
779P33.1Very low32.2Very low104 Ų104105.8 Ų105.868%0.67554%0.54SS*.  -155.3-158.388.541.8-18.6000116.9D1648P779-D1648 WeakPolarHBondContact CA-OD2 3.45Å; P779-D1648 VanDerWaalsContact CB-OD2 3.28Å; P779-D1648 WeakPolarHBondContact CB-OD2 2.86Å
780Q34.3Very low32.4Very low94 Ų94109.2 Ų109.244%0.43956%0.557SS.*  trans-121175.9-140-149.9-161.823.100119.5R1646 V1647Q780-R1646 PolarHBondContact NE2-O 3.19Å; Q780-V1647 HydrophobicContact CB-CB 3.86Å; Q780-V1647 HydrophobicContact CB-CG1 3.84Å; Q780-V1647 HydrophobicContact CB-CG2 3.66Å; Q780-V1647 HydrophobicContact CG-CB 3.78Å; Q780-V1647 HydrophobicContact CG-CG1 4.22Å; Q780-V1647 HydrophobicContact CG-CG2 3.77Å
781E33.7Very low32.8Very low127 Ų127113.8 Ų113.859%0.59358%0.575SS**  trans86.6143.5133.2-127.9-147.3165.500125.4V783E781-V783 WeakPolarHBondContact OE1-CG2 3.23Å
782V38.3Very low33Very low122 Ų122117.5 Ų117.574%0.73959%0.585SS**  165.797113.1166.10000113.9
783V34.9Very low33.1Very low93 Ų93120 Ų12056%0.56459%0.593SS**  trans34.5131.7138.7-1430000124.6E781E781-V783 WeakPolarHBondContact OE1-CG2 3.23Å
784K38Very low33.2Very low195 Ų195122 Ų12285%0.84860%0.602SS**  156.8120.7114.8-82.7179.7-170.7-168.60119.2
785Q33.2Very low33Very low118 Ų118126.1 Ų126.155%0.55162%0.623SS**  trans-75.6172.6159.8-72.7-178.5-2.700113.7D1708Q785-D1708 PolarHBondContact NE2-OD2 3.41Å
786P36.6Very low32.9Very low108 Ų108128.9 Ų128.970%0.70164%0.635SS**  -155.9137113.837.8-18.3000119.3
787Q31.2Very low32.7Very low162 Ų162133.3 Ų133.376%0.75765%0.649SS**  74151.2126.2-74.5-166.5-65.300125.7
788H32.8Very low32.7Very low139 Ų139135.9 Ų135.964%0.64466%0.659SS**  trans76.5136.6155.6-88.4-122.5000118.5
789E30.5Very low32.3Very low140 Ų140138.2 Ų138.265%0.65468%0.678SS**  cis-171.2155.9-8.6-135.8-174.2176.800111.9
790V33.9Very low32.2Very low91 Ų91140.6 Ų140.655%0.55268%0.68SS**  trans47.5135.8134.3157.20000119.6
791E35.5Very low32.1Very low149 Ų149143.4 Ų143.470%0.69669%0.69SS**  -162.8112.959-158.2168.2168.300109.9K793E791-K793 IonicContact OE1-NZ 2.63Å; E791-K793 PolarHBondContact OE1-NZ 3.07Å
792E31.7Very low32.1Very low145 Ų145142.4 Ų142.468%0.67869%0.692SS**  63.2119.182.6-68.2-171.4162.100117.7
793K32.4Very low31.8Very low130 Ų130143.4 Ų143.457%0.56569%0.693SS**  176.5135.8129.6-93.1157.4-159.769.90112.6E791E791-K793 IonicContact OE1-NZ 2.63Å; E791-K793 PolarHBondContact OE1-NZ 3.07Å
794E30.3Very low31.5Very low168 Ų168146.8 Ų146.879%0.78570%0.7SS**  58.1135.489.6-56.1178.7152.700112.3
795E25.4Very low31Very low176 Ų176145.5 Ų145.582%0.82270%0.697SS**  cis-136.5159.625.8-59.4173133.100109.8
796E28.6Very low30.7Very low159 Ų159144.5 Ų144.574%0.74370%0.695SS**  cis68.785.433.9-154.4-156.3153.600117.1
797Y26Very low30.3Very low194 Ų194146.4 Ų146.476%0.76170%0.695SS**SBendtrans64.5162.8161.6-88.9-103.6000117.5
798K30Very low30.2Very low168 Ų168145.2 Ų145.273%0.7369%0.691SS**  trans68.6141.9161.9-72.1161-161.7126.80114
799V27.4Very low30.3Very low121 Ų121145.8 Ų145.873%0.73370%0.698SS**  54.5112.269.6-178.40000112.7
800H31.2Very low30.3Very low154 Ų154142 Ų14271%0.71369%0.691SS**  trans77.1141.7166.9-8322.6000116.6
801K32.7Very low30.2Very low152 Ų152145.4 Ų145.466%0.66170%0.701SS**  cis146.5110.8-4.7158.4-167.3172.5-179.40105
802V33.7Very low30Very low106 Ų106145.9 Ų145.964%0.64270%0.703SS**  trans65.9142.3150.8174.70000115.9K804V802-K804 HydrophobicContact CG1-CG 3.96Å
803L31.7Very low29.9Very low144 Ų144143.1 Ų143.175%0.75470%0.7SS**  -156.3105.2120.4-120.573.1000108.4
804K29.7Very low29.7Very low163 Ų163143.8 Ų143.871%0.70971%0.709SS**  50.6111.6105.2-59.9-179.5-159.6161.50113.2V802V802-K804 HydrophobicContact CG1-CG 3.96Å
805E26.1Very low29.7Very low168 Ų168143.8 Ų143.879%0.78571%0.709SS**  -155.3146.895.3-97.7-169.1-166.600107.9
806N27.8Very low29.8Very low97 Ų97143.7 Ų143.752%0.51971%0.709SS.*SBendcis-144.8137.37-109.8-51.8000111.1
807Q28.5Very low29.7Very low149 Ų149142.8 Ų142.870%0.69671%0.709SS**  trans62.5134.6144.7-61.1165.748.600118.2
808M28.9Very low29.7Very low136 Ų136137.6 Ų137.667%0.6771%0.705SS**  cis-167.6145.29.5-126.4-173.3-59.600110.3
809L33.3Very low29.5Very low151 Ų151136.6 Ų136.679%0.79171%0.706SS**  trans67.5152.2155.5-55.5167.6000117.4
810A30.5Very low29.5Very low60 Ų60136.8 Ų136.850%0.49670%0.704SS.*  cis-170174.1-24.600000109
811E32.2Very low29.4Very low163 Ų163135.4 Ų135.476%0.76270%0.701SS**  trans44.4133.5139.9-68.1139.8-145.800119.5
812E31.9Very low29.2Very low160 Ų160136 Ų13675%0.74871%0.706SS**  cis-161.6155.75.1-115.2170167.400106.6
813S28.8Very low28.8Very low87 Ų87135.1 Ų135.161%0.60870%0.704SS**  47.814288.9109.70000114.4
814D28.2Very low28.6Very low144 Ų144135.4 Ų135.477%0.7770%0.701SS**  cis-169.9-153.5-3.4-128.7-32000106.4
815E31.4Very low28.4Very low168 Ų168133.5 Ų133.579%0.78570%0.698SS**  trans60.197.5155-72.8174.7-154.700116.7
816Q26.8Very low28.4Very low174 Ų174133 Ų13381%0.81369%0.693SS**  67.4153.258.7-155175.638.400113.7
817L26.7Very low28.4Very low140 Ų140133.6 Ų133.673%0.73370%0.702SS**  trans71.892.5-177.7-46.9177.4000112.6
818A25.5Very low28.3Very low84 Ų84130.8 Ų130.869%0.69470%0.699SS**  66.9161.265.200000113.7
819I27.4Very low28.1Very low147 Ų147130 Ų13075%0.75470%0.702SS**  trans69.1103.1172.1-57.3160.3000110.6
820D27.4Very low28Very low126 Ų126127.6 Ų127.667%0.67470%0.696SS**  -164.4151.774-109.7-24000113.6
821L29.1Very low27.6Very low125 Ų125131.6 Ų131.665%0.65471%0.708SS**  trans51.5128.5135.2-54.5168.2000120.3
822E27.7Very low27.3Very low164 Ų164128.3 Ų128.377%0.76670%0.703SS**  cis-166.4-171.9-6.4-141.6169.1-169.900110.8
823C25.4Very low27Very low88 Ų88125.3 Ų125.360%0.59570%0.698SS**  trans-35.4154.1157.9-54.10000114.1L825C823-L825 HydrophobicContact CB-CD1 4.33Å
824E26.7Very low26.8Very low149 Ų149127.5 Ų127.570%0.69670%0.703SS**  cis-134.5143.332.3-74.5-172.6164.700112.4K826E824-K826 IonicContact OE1-NZ 3.13Å; E824-K826 IonicContact OE2-NZ 2.64Å; E824-K826 PolarHBondContact OE2-NZ 2.88Å
825L26.4Very low26.9Very low123 Ų123127.6 Ų127.664%0.64470%0.704SS**  56.273.859.5-69.3170.4000114.2C823C823-L825 HydrophobicContact CB-CD1 4.33Å
826K26Very low26.7Very low159 Ų159123.5 Ų123.569%0.69169%0.694SS**  trans-136.999130.7-104.396.9-134.1171.90110.7E824E824-K826 IonicContact OE1-NZ 3.13Å; E824-K826 IonicContact OE2-NZ 2.64Å; E824-K826 PolarHBondContact OE2-NZ 2.88Å
827P27.6Very low26.8Very low108 Ų108122.1 Ų122.170%0.70169%0.691SS**  trans-71.6125149.931.5-30.1000108.2
828S26.6Very low26.8Very low90 Ų90119 Ų11963%0.62969%0.685SS**  trans-165.9115.315853.50000106.6
829T24.5Very low27Very low120 Ų120122.7 Ų122.774%0.73669%0.688SS**  cis55.1141.745.384.80000113.2
830P30.3Very low27.1Very low101 Ų101118.7 Ų118.766%0.65668%0.683SS**  -119.7-132.3-63.321.5-0.1000105.1
831L23.9Very low27.1Very low143 Ų143120.5 Ų120.575%0.74969%0.688SS**  trans69.7130.2151.5-69.5169.3000114.9
832S24Very low27Very low95 Ų95121.9 Ų121.966%0.66469%0.691SS**  59.7136.281.1109.80000112.3
833C25.5Very low27.1Very low96 Ų96118.9 Ų118.965%0.64968%0.679SS**  cis-160.7-161.91.6-139.10000106.9
834D26.5Very low27.3Very low133 Ų133122.1 Ų122.171%0.71169%0.686SS**  trans61.5113.9157.8-41.1-37.1000114.1
835D28.8Very low27.4Very low147 Ų147120.7 Ų120.779%0.78668%0.679SS**  cis-165.1153.748-98.5-41.8000108.9
836S27.5Very low27.5Very low82 Ų82122.5 Ų122.557%0.57369%0.685SS**  cis-172.1151.2-10.9-129.70000108.3
837L28.7Very low27.7Very low144 Ų144121.5 Ų121.575%0.75468%0.682SS**  trans64.9146.7161.2-57.8161.3000116
838A28.2Very low27.7Very low74 Ų74124.1 Ų124.161%0.61269%0.685SS**  cis-140.7154.62.600000108.2
839E28.5Very low27.7Very low162 Ų162126 Ų12676%0.75768%0.684SS**  49.699.980.2-47.2174.1173.300110.6
840G29Very low27.8Very low63 Ų63127.7 Ų127.765%0.64968%0.684SS**  cis-165.7-1412.400000114.4
841E28.9Very low27.6Very low165 Ų165129.9 Ų129.977%0.77169%0.685SS**  71.1116.280.3-72.4178.4-169.500111.2
842E27.1Very low27.6Very low153 Ų153129.3 Ų129.372%0.71568%0.678SS**  cis-153.5-150.4-11.3-130164.6-176.900108.2
843L28.9Very low27.9Very low101 Ų101133.2 Ų133.253%0.52969%0.686SS.*  24.7140.8101.6-41.2168.4000115.6E845L843-E845 HydrophobicContact CD2-CG 4.2Å
844E30.3Very low28.1Very low156 Ų156135.2 Ų135.273%0.72969%0.686SS**  cis-109.7142.210.5-91.195-119.200110.9
845E28.9Very low28.1Very low120 Ų120136.5 Ų136.556%0.56169%0.688SS**  71.9141.571-58.6175.3167.100111.1L843L843-E845 HydrophobicContact CD2-CG 4.2Å
846E28Very low28.1Very low161 Ų161134 Ų13475%0.75268%0.677SS**  55.1119.8112.1-59174.1-170.600112.4
847E29.3Very low28.2Very low138 Ų138137.8 Ų137.865%0.64569%0.69SS**  cis-133.5157.629-94.9140.6-179.700110.2
848E28.1Very low28.2Very low163 Ų163134.4 Ų134.476%0.76269%0.69SS**  52.7172.573.7-46.6-168.8152.300114.9
849Q27Very low28.3Very low130 Ų130139.9 Ų139.961%0.60770%0.7SS**  trans73.386.5171.8-62.6167.436.600113.8
850E26.2Very low28.3Very low155 Ų155139.7 Ų139.772%0.72470%0.699SS**  89.2169.470.1-78.8169.4164.700111.4
851E25.5Very low28.1Very low146 Ų146144 Ų14468%0.68270%0.704SS**  trans24.8126.6140.1-66.5-176.7-154.400118.5
852Q25.8Very low28Very low131 Ų131142.9 Ų142.961%0.61270%0.704SS**  cis-155.5148.143.4-108.7128.543.800108.6
853E30.3Very low27.9Very low177 Ų177140.3 Ų140.383%0.82770%0.703SS**  46.457.956.5-74.4-145.6159.600114.1
854H28.5Very low27.7Very low138 Ų138143.7 Ų143.764%0.63971%0.713SS**  trans-139.6112.1139.4-83.4-65.8000109.2
855E26.9Very low27.5Very low161 Ų161140.6 Ų140.675%0.75270%0.702SS**  75.8178.355.4-162.4-126.3151.300111.5
856V28.9Very low27.3Very low93 Ų93140.5 Ų140.556%0.56470%0.704SS**  trans8581.7166.4-162.10000117.8
857L28.4Very low27.2Very low162 Ų162135.2 Ų135.285%0.84869%0.685SS**  trans67.891.7135.3-55.8174.1000119.3
858G28.8Very low26.9Very low73 Ų73136 Ų13675%0.75369%0.689SS**  trans-79.6-162.3166.500000115.3
859K32Very low26.8Very low189 Ų189137.7 Ų137.782%0.82269%0.689SS**  trans-168.6139.9165.9-109.5156-172.3163.90112.6
860E26.6Very low26.6Very low158 Ų158136.9 Ų136.974%0.73869%0.685SS**  trans26.6128.1136.6-61.7175.1123.700120.5
861M26.1Very low26.5Very low153 Ų153135.3 Ų135.375%0.75468%0.678SS**  trans80119.7142.1-67161.754.700120.5
862N25.7Very low26.4Very low143 Ų143134 Ų13477%0.76568%0.676SS**  trans75.1137137.6-64.9-5.4000120.9
863S25.1Very low26.2Very low99 Ų99135.5 Ų135.569%0.69268%0.683SS**  87.3113.3129.8-174.70000120.5
864F24.6Very low25.9Very low172 Ų172132.7 Ų132.775%0.75468%0.677SS**  trans66.7112138.6-83-109.6000120
865D27Very low25.7Very low90 Ų90131.3 Ų131.348%0.48168%0.679SS.*  63.1165.292.7-165.725.8000119.2
866I25.2Very low25.7Very low119 Ų119132.3 Ų132.361%0.6168%0.681SS**  trans70.278.1168.5-66149.7000114.5
867S24.3Very low25.5Very low50 Ų50135.9 Ų135.935%0.3569%0.691SS.*  54.8168.4101.489.80000121.2D1345S867-D1345 WeakPolarHBondContact CA-OD2 3.44Å; S867-D1345 WeakPolarHBondContact CB-OD2 3.12Å; S867-D1345 PolarHBondContact N-OD2 2.88Å
868Q24.8Very low25.4Very low155 Ų155131.7 Ų131.772%0.72469%0.687SS**  trans79.5132.1152.8-100.3168.789.200116.9
869Y24.8Very low25.3Very low197 Ų197135.5 Ų135.577%0.77369%0.688SS**  49.1132.7122.2-82.9-136.5000116.5
870E23.8Very low24.8Very low113 Ų113132.5 Ų132.553%0.52869%0.686SS.*  cis-174.1-165.837.2-147.7174.7-167.700111.2
871Q23.7Very low24.7Very low122 Ų122130 Ų13057%0.5769%0.685SS**  trans71.598.3138.3-79.4179.143.900118.5
872N22.6Very low24.6Very low119 Ų119127.6 Ų127.664%0.63668%0.684SS**  83.3151.8105.8-84.5-18.2000119.9
873Q23.2Very low24.5Very low163 Ų163128.9 Ų128.976%0.76269%0.69SS**  trans70.9147143.1-79.3169.476.200116.7
874V23.5Very low24.4Very low117 Ų117127.5 Ų127.571%0.70969%0.691SS**  cis-151.6144.8-18.696.40000110.4
875T22.9Very low25.1Very low109 Ų109129.2 Ų129.267%0.66970%0.699SS**  trans19.3115.7149.1-47.70000119
876K27.7Very low25.2Very low182 Ų182130.3 Ų130.379%0.79171%0.71SS**  trans-151.2106.2137.5-113.6152.6-172.7173.90114.7
877E25.6Very low25.3Very low169 Ų169130.1 Ų130.179%0.7971%0.711SS**  46.7107.2121.8-60.4169.9175.900118.3
878G26.3Very low25.5Very low73 Ų73134.6 Ų134.675%0.75373%0.728SS**  trans-170.546.7179.500000118.8
879I25.3Very low25.6Very low153 Ų153134 Ų13479%0.78573%0.725SS**  trans35.695.7149.2-56.3174.6000116.3
880V23Very low25.6Very low126 Ų126128.7 Ų128.776%0.76472%0.717SS**  63.2112.987.7175.10000115.1
881S23.3Very low25.7Very low105 Ų105132 Ų13273%0.73473%0.726SS**  trans68.3164.3170.6-51.10000114
882S23.8Very low25.8Very low104 Ų104133.5 Ų133.573%0.72773%0.731SS**  cis-142158.212.6-51.60000113.7
883L24.1Very low26.1Very low170 Ų170133.5 Ų133.589%0.8974%0.735SS**  trans-21.8141.1139.7-63.664.3000114
884G23.9Very low26.5Very low69 Ų69129.9 Ų129.971%0.71173%0.725SS**  trans-158.918-178.400000118.9P886G884-P886 WeakPolarHBondContact O-CD 3.21Å
885F37.7Very low26.6Very low209 Ų209131.7 Ų131.792%0.91772%0.724SS**  trans-55.7134.2162.3-78.4-87000109.4
886P30.6Very low26.9Very low112 Ų112133 Ų13373%0.72773%0.727SS**  -144.3155.8105.936.9-21.5000113.1G884G884-P886 WeakPolarHBondContact O-CD 3.21Å
887D27Very low27Very low116 Ų116129.9 Ų129.962%0.6272%0.724SS**  cis-160.8158.5-7.7-132.9-2.8000113.1
888M27.2Very low27.2Very low144 Ų144127.6 Ų127.671%0.70972%0.723SS**  trans38.2157130-79.5-172.2-164.900123.1
889Q27.8Very low27.1Very low141 Ų141132.3 Ų132.366%0.65972%0.723SS**  cis-158.8153.327.2-144.4155.8101.100114.6
890S25.3Very low27.2Very low87 Ų87132.4 Ų132.461%0.60873%0.726SS**  trans67.5139.2153.954.50000119.5
891Y25.7Very low27.4Very low183 Ų183130.9 Ų130.972%0.71872%0.716SS**  cis-169.1170.50.7-101.4-30.3000108.2
892K26Very low27.6Very low153 Ų153132 Ų13267%0.66571%0.714SS**  cis-155.6-154.48.3-136.2151.1-167.8146.90113.5
893T27.3Very low27.7Very low119 Ų119134.2 Ų134.273%0.7372%0.715SS**  trans-142.3175.6-176.450.40000108.4
894P32.5Very low27.8Very low86 Ų86131.4 Ų131.456%0.55871%0.705SS**  cis-151167.129.143.8-22.2000121.2T715T715-P894 PolarHBondContact OG1-O 2.86Å; T715-P894 VanDerWaalsContact OG1-O 3.14Å
895F25.6Very low28Very low156 Ų156136.3 Ų136.368%0.68471%0.709SS**  trans47.6153.8137.7-73.5-113.8000120.5T715T715-F895 WeakPolarHBondContact CB-O 2.99Å; T715-F895 PolarHBondContact OG1-O 3.1Å
896D28.5Very low27.9Very low136 Ų136131.3 Ų131.373%0.72770%0.7SS**  cis-156.9174.842-115.5-38.2000113.9
897T30.8Very low28.1Very low117 Ų117131.1 Ų131.172%0.71870%0.699SS**  trans-135.4153.4172.356.60000113.9
898P29.7Very low28.2Very low121 Ų121129.7 Ų129.779%0.78670%0.703SS**  -142.9145.7126.135.6-20.8000113.2
899F25.1Very low28.2Very low172 Ų172128 Ų12875%0.75470%0.701SS**  70.8102.460.2-90.6-78.4000116.5V901F899-V901 HydrophobicContact CD1-CG2 4.04Å; F899-V901 HydrophobicContact CE1-CG2 4.43Å
900D27.4Very low28.1Very low155 Ų155129.5 Ų129.583%0.82971%0.706SS**  175.9122124.8-88.1-15000107.8
901V26.8Very low28.2Very low93 Ų93133.4 Ų133.456%0.56471%0.714SS**  cis92.494.537.3179.40000113.9F899F899-V901 HydrophobicContact CD1-CG2 4.04Å; F899-V901 HydrophobicContact CE1-CG2 4.43Å
902D26.2Very low28.2Very low130 Ų130130 Ų13070%0.69571%0.712SS**  -179.5125126.1-93.7-22.7000107
903M27.1Very low28.2Very low149 Ų149128.9 Ų128.973%0.73471%0.714SS**  65.3129.161.6-63.8-157.1-62.900112.9
904T26.2Very low28.2Very low112 Ų112129 Ų12969%0.68771%0.709SS**  cis-143.2-164.63.815.90000109
905E27.4Very low27.9Very low171 Ų171130.1 Ų130.180%0.79971%0.71SS**  cis-163.6161.824.1-149.1136.8-82.600113.2
906S36.2Very low27.9Very low105 Ų105131.6 Ų131.673%0.73472%0.716SS**  trans-148.4146.9163.6-173.10000107.5
907P33.7Very low27.7Very low108 Ų108129.1 Ų129.170%0.70171%0.709SS**  -142.8169.7104.334.6-15.8000111.9
908A29.7Very low27.4Very low86 Ų86130 Ų13071%0.71171%0.714SS**  cis69.3147.539.600000112.4
909V27.8Very low27.3Very low108 Ų108126.6 Ų126.666%0.65570%0.701SS**  cis-165.4-1761.284.90000109.7
910F25.8Very low27.2Very low173 Ų173124 Ų12476%0.75970%0.695SS**  trans70.6163.3171.2-64.3-39000116.7
911E26.4Very low27.1Very low168 Ų168121.9 Ų121.979%0.78569%0.692SS**  cis-143.5-173.814.9-148.3144.5-131.400114.6
912T25.1Very low26.9Very low111 Ų111121.9 Ų121.968%0.68169%0.693SS**  trans-65.6165.2-166.956.30000115.1
913D27.3Very low26.7Very low130 Ų130121.5 Ų121.570%0.69569%0.694SS**  -164.612581.8-100-0.7000117.2
914I26.3Very low26.4Very low122 Ų122120.4 Ų120.463%0.62669%0.69SS**  trans41.2118.1130.2-31162.3000119.3
915N26.7Very low26.3Very low109 Ų109121.9 Ų121.958%0.58369%0.69SS**  163.4115.2108.4-89.5-78.8000114.2
916K26.5Very low26.1Very low188 Ų188120 Ų12082%0.81768%0.681SS**  trans66.2148.6131.9-67.5173.2-175.41330119.7
917S24.7Very low25.5Very low83 Ų83122 Ų12258%0.5868%0.678SS**  cis-175.5123.9-6.4162.50000112.1
918V24.1Very low25.3Very low135 Ų135123 Ų12382%0.81867%0.673SS**  trans40.4121.9133.4-171.30000118.9
919G26.5Very low25.2Very low50 Ų50123.9 Ų123.952%0.51567%0.672SS.*  144.5106.4116.700000119.4
920N24.1Very low25.1Very low119 Ų119124.2 Ų124.264%0.63667%0.666SS**  35.9150.8120.9-72.39.2000122.4N1117N920-N1117 PolarHBondContact OD1-O 2.88Å; N920-N1117 VanDerWaalsContact OD1-O 3.04Å
921S23.7Very low25Very low109 Ų109125.1 Ų125.176%0.76267%0.666SS**  trans86.8116.2168.7-60.40000114.8
922V22.6Very low24.9Very low94 Ų94122.5 Ų122.557%0.5766%0.657SS**  cis74.2129.338.6-169.80000112.6
923V22.6Very low24.9Very low121 Ų121123.8 Ų123.873%0.73366%0.655SS**  trans87124.2154.61320000119.6
924I22.3Very low24.9Very low127 Ų127123.5 Ų123.565%0.65165%0.649SS**  trans84.7122.3138.2-85.9-178.4000120.9
925E22.6Very low25Very low143 Ų143123.7 Ų123.767%0.66865%0.646SS**  trans60.9146.8137.6-61.9-177.7152.900119.5
926Q23Very low25.1Very low132 Ų132123.4 Ų123.462%0.61765%0.648SS**  cis-167.2175.8-5.6-121.3160.518.200108.8
927H24.5Very low25.2Very low146 Ų146120.2 Ų120.268%0.67664%0.636SS**  trans60.9116.7152.6-77.6-63.1000118.6
928E29.3Very low25.4Very low128 Ų128121.7 Ų121.760%0.59864%0.637SS**  27137.3101.8-97-155.3119.800117.9Q930E928-Q930 WeakPolarHBondContact OE1-CG 3.21Å
929P28.4Very low25.6Very low105 Ų105122.1 Ų122.168%0.68263%0.63SS**  -138.7142.357.834.7-17.4000116.1
930Q23.8Very low25.6Very low115 Ų115125.2 Ų125.254%0.53764%0.635SS.*  49.6156.1120.6-48.8166.2-9.300120.4E928E928-Q930 WeakPolarHBondContact OE1-CG 3.21Å
931Y25Very low25.8Very low193 Ų193123.5 Ų123.576%0.75763%0.625SS**  trans75143140.5-76-31.4000117.5
932L24.2Very low26Very low113 Ų113127.3 Ų127.359%0.59262%0.623SS**  cis-171.5138.4-3.3171.467.7000107.7
933E25.8Very low26.2Very low138 Ų138127.7 Ų127.765%0.64562%0.622SS**  trans64.6161.3158-70.8173.8152.700116.4
934Q26.8Very low26.5Very low123 Ų123127.4 Ų127.458%0.57562%0.62SS**  cis-165.1154.7-15.2-119.1164.715.800110.2
935K28.5Very low26.7Very low127 Ų127126.8 Ų126.855%0.55262%0.618SS**  trans61.1175.2140-75.5168.8-172.7-62.80117.6E937K935-E937 IonicContact NZ-OE1 2.82Å; K935-E937 PolarHBondContact NZ-OE1 2.89Å; K935-E937 IonicContact NZ-OE2 3.43Å; K935-E937 PolarHBondContact NZ-OE2 2.8Å
936V27.4Very low26.9Very low103 Ų103125.8 Ų125.862%0.62462%0.616SS**  cis-110.5125.9-14.3106.50000105.4
937E29.1Very low27.1Very low120 Ų120127 Ų12756%0.56162%0.622SS**  63.9158.373-126156.9-117.300111K935K935-E937 IonicContact NZ-OE1 2.82Å; K935-E937 PolarHBondContact NZ-OE1 2.89Å; K935-E937 IonicContact NZ-OE2 3.43Å; K935-E937 PolarHBondContact NZ-OE2 2.8Å
938D28.7Very low27.2Very low114 Ų114126 Ų12661%0.6162%0.621SS**  trans87.4117.3160.2-53.2-8.7000120.9
939E28.8Very low26.9Very low145 Ų145125.4 Ų125.468%0.67862%0.622SS**  cis-171.6153.3-21.7-123-167.1171.100107.4
940L27.6Very low26.8Very low115 Ų115128.1 Ų128.160%0.60263%0.626SS**  38.2142.8128.9-64.3179.4000119.7
941N27.1Very low26.8Very low83 Ų83125.5 Ų125.544%0.44462%0.618SS.*  cis177.5-17932.5-140.9-31.8000112.9
942R27.9Very low26.8Very low188 Ų188123.7 Ų123.771%0.70961%0.611SS**  trans71.7125140.3-82166-79-1030.2116.8
943N26.4Very low26.8Very low102 Ų102122 Ų12255%0.54561%0.605SS.*  cis-151.8141.4-11.9-119.529.9000104.6D945N943-D945 PolarHBondContact ND2-OD2 3.07Å
944V28.2Very low26.6Very low116 Ų116120.5 Ų120.570%0.70360%0.602SS**  cis61.9153.649.5126.80000112.4
945D26.8Very low26.5Very low113 Ų113124.3 Ų124.360%0.60461%0.612SS**  trans87.1137.6172.1-60.2-33.7000118.9N943N943-D945 PolarHBondContact ND2-OD2 3.07Å
946I27.2Very low26.3Very low123 Ų123124.8 Ų124.863%0.63162%0.62SS**  cis-173.1178.2-23.8-144.9173.7000108.7
947E26.6Very low26.1Very low157 Ų157126 Ų12673%0.73462%0.619SS**  trans67.3145.1159.1-86.9149.2-141.600117.4
948D26.9Very low25.8Very low125 Ų125126.8 Ų126.867%0.66862%0.623SS**  cis-163.1162.6-17.8-134.719.2000113.4
949N24.7Very low25.6Very low115 Ų115129 Ų12962%0.61563%0.629SS**  trans26.9141.1141.1-76.3-46.8000124.3
950E25.4Very low25.5Very low162 Ų162127.4 Ų127.476%0.75763%0.634SS**  trans86.7114134.6-82.7-177.2-129.300122.6
951T24.4Very low25.4Very low61 Ų61128.8 Ų128.837%0.37464%0.641SS.*  101126.2110.1-147.30000122.5L1230 S1231 P1232T951-L1230 CarbonylContact O-C 3.49Å; T951-S1231 PolarHBondContact O-N 2.9Å; T951-P1232 HydrophobicContact CG2-CB 4.1Å; T951-P1232 WeakPolarHBondContact OG1-CA 3.23Å; T951-P1232 VanDerWaalsContact OG1-CB 3.23Å; T951-P1232 WeakPolarHBondContact OG1-CB 3.34Å
952Y23.4Very low25.6Very low154 Ų154129.1 Ų129.160%0.60465%0.648SS**  trans73.9-175.9159.2-98.119.6000118.5L1230 P1232 S1233Y952-L1230 WeakPolarHBondContact CB-O 3.21Å; Y952-P1232 WeakPolarHBondContact CD1-O 3.44Å; Y952-P1232 HydrophobicContact CD2-CB 4.12Å; Y952-P1232 WeakPolarHBondContact CD2-O 3.29Å; Y952-P1232 WeakPolarHBondContact CE1-O 3.49Å; Y952-P1232 HydrophobicContact CE2-CB 4.31Å; Y952-P1232 HydrophobicContact CE2-CG 4.39Å; Y952-P1232 WeakPolarHBondContact CE2-O 3.26Å; Y952-P1232 HydrophobicContact CG-CB 4.27Å; Y952-P1232 PolarHBondContact OH-O 3.39Å; Y952-S1233 WeakPolarHBondContact CE1-O 3.49Å; Y952-S1233 PolarHBondContact OH-O 3.41Å; Y952-S1233 PolarHBondContact OH-OG 3.26Å
953V24.1Very low25.4Very low77 Ų77129.1 Ų129.147%0.46765%0.653SS.*  cis-146.2-159.621.883.20000115.8L1230V953-L1230 VanDerWaalsContact CB-O 3.31Å; V953-L1230 WeakPolarHBondContact CB-O 3.26Å; V953-L1230 HydrophobicContact CG2-CB 3.68Å; V953-L1230 HydrophobicContact CG2-CD1 3.95Å; V953-L1230 HydrophobicContact CG2-CG 4.43Å
954N23Very low25.4Very low108 Ų108130 Ų13058%0.57866%0.663SS**  trans-126.4137.7-176.4-82.9-56.7000113.7
955Y23.7Very low25.3Very low203 Ų203128.6 Ų128.680%0.79666%0.663SS**  trans62.3152.7137-80.3-107.4000123.3
956L23.9Very low25.3Very low136 Ų136129.6 Ų129.671%0.71267%0.669SS**  trans74.2141.4167.2-46-175.4000115.6
957Q23.2Very low25.3Very low128 Ų128131.6 Ų131.660%0.59867%0.673SS**  cis-159.1156.3-7.4-123.6169.4-47.800111.7
958E23.8Very low25.2Very low138 Ų138132.5 Ų132.565%0.64568%0.677SS**  trans41.2131141.4-74.6149.5-149.800123.2
959E24.6Very low25.2Very low159 Ų159131.5 Ų131.574%0.74368%0.68SS**  trans53.3119.7133.6-54.9-174.1158.500119.3
960S25.8Very low25.4Very low113 Ų113132.3 Ų132.379%0.7968%0.683SS**  -168.5139.972.618.40000109.6
961L25.7Very low25.5Very low143 Ų143129.8 Ų129.875%0.74968%0.679SS**  cis61.1137.629.9-66.1177.5000115.9
962P31.9Very low25.7Very low90 Ų90135.4 Ų135.458%0.58470%0.701SS**  cis-133.7-120.3-47.436.9-18.1000110.8
963F23.9Very low25.8Very low188 Ų188132.8 Ų132.883%0.82571%0.705SS**  trans81.2102.9-174.9-61.7-74.1000114.7
964T26.8Very low25.9Very low120 Ų120133.2 Ų133.274%0.73671%0.711SS**  cis65.784.119.639.30000118.1
965A24.3Very low26.1Very low87 Ų87135.5 Ų135.572%0.71972%0.718SS**  trans-165.3139.6150.100000107.7
966D28.4Very low26.2Very low135 Ų135132.5 Ų132.572%0.72272%0.716SS**  cis-130.1141.1-4.2-82.7-48.5000108.1
967K26.3Very low26.3Very low164 Ų164129.4 Ų129.471%0.71371%0.71SS**  74.5125.255.1-75.2-176.1177170.20114.8
968Q24.9Very low26.4Very low177 Ų177131.2 Ų131.283%0.82772%0.716SS**  trans68.3146.3161.8-62.8159.5-17.500113.8
969S27.2Very low26.4Very low103 Ų103130.7 Ų130.772%0.7271%0.709SS**  cis-150.7161.214.155.90000110.1
970L29.1Very low26.4Very low132 Ų132127.4 Ų127.469%0.69170%0.696SS**  cis-159.4137.4-9.6-120.632.3000103.2
971V27.8Very low26.3Very low109 Ų109126.8 Ų126.866%0.66169%0.688SS**  66.9138.276.3169.40000111
972E26.8Very low26.3Very low180 Ų180124.8 Ų124.884%0.84167%0.674SS**  cis-141.4174.920.7-133.7132.6-137.200109
973S25.7Very low26Very low99 Ų99125 Ų12569%0.69267%0.674SS**  cis-149.3154.65.169.50000112.2
974S26.9Very low26.1Very low85 Ų85119.2 Ų119.259%0.59465%0.65SS**  trans-80.7-157.8154.450.40000110.7
975H26.7Very low26.1Very low156 Ų156118.2 Ų118.272%0.72264%0.637SS**  trans85138.7171.3-52.8-66.2000116.1
976D26.6Very low26.2Very low140 Ų140118.2 Ų118.275%0.74963%0.628SS**  cis-159-176.3-18.8-131.1-49.2000113.4
977A25.3Very low26.1Very low71 Ų71115.2 Ų115.259%0.58763%0.629SS**  trans-51.2139.6-178.800000119.1
978K24.9Very low26.1Very low167 Ų167115.9 Ų115.973%0.72664%0.635SS**  trans60.2138.2130.7-66.4177.7175.9178.80121.9
979Y24.3Very low26.2Very low127 Ų127112.9 Ų112.950%0.49863%0.625SS.*  trans71.3147.7157.4-58.1-49.5000116.4C1437Y979-C1437 PolarHBondContact OH-O 3.38Å
980L24.6Very low26.3Very low90 Ų90113.8 Ų113.847%0.47162%0.621SS.*  cis-163165-6.8-124.8162.8000109.6
981T25Very low26.2Very low100 Ų100114 Ų11461%0.61362%0.623SS**  trans60.9112.5161.235.10000117
982E25.3Very low26.1Very low100 Ų100115.8 Ų115.847%0.46763%0.628SS.*  72.7137.379.4-78.6176.2113.100114.5K1435E982-K1435 IonicContact OE1-NZ 2.7Å; E982-K1435 PolarHBondContact OE1-NZ 2.93Å; E982-K1435 WeakPolarHBondContact OE2-CE 3.39Å; E982-K1435 IonicContact OE2-NZ 2.81Å; E982-K1435 PolarHBondContact OE2-NZ 2.91Å
983T24.8Very low26.1Very low96 Ų96115.9 Ų115.959%0.58963%0.625SS**  trans68.6139.8165.550.90000117
984Q26Very low26.1Very low65 Ų65119.1 Ų119.130%0.30463%0.63SS.*  cis-159.1176.42.4-124.4148.39.800113.7E1426 E1427 N1428Q984-E1426 HydrophobicContact CB-CB 3.52Å; Q984-E1426 HydrophobicContact CB-CG 3.57Å; Q984-E1426 HydrophobicContact CG-CB 4.14Å; Q984-E1427 HydrophobicContact CG-CG 4.04Å; Q984-E1427 PolarHBondContact NE2-OE1 3.12Å; Q984-N1428 WeakPolarHBondContact CG-OD1 3.45Å; Q984-N1428 PolarHBondContact NE2-ND2 3.01Å
985E28.1Very low26Very low100 Ų100121 Ų12147%0.46764%0.642SS.*  trans-75.6-174.3-170.7-63.4172.5-159.100117.1E1426 N1428 Y1429E985-E1426 WeakPolarHBondContact O-CA 3.32Å; E985-E1426 PolarHBondContact O-N 3.12Å; E985-N1428 VanDerWaalsContact OE2-CA 3.29Å; E985-N1428 WeakPolarHBondContact OE2-CA 3.49Å; E985-N1428 PolarHBondContact OE2-N 2.88Å; E985-Y1429 PolarHBondContact OE1-N 3.49Å
986T25.3Very low26Very low86 Ų86116.7 Ų116.753%0.52864%0.64SS.*  trans92.3113.3153.273.50000121E1426 E1427T986-E1426 PolarHBondContact OG1-N 3.07Å; T986-E1427 WeakPolarHBondContact CG2-O 3.21Å
987G25.9Very low25.8Very low73 Ų73120.1 Ų120.175%0.75365%0.649SS**  trans98.9141.2138.300000117.5
988Q27.4Very low25.8Very low177 Ų177123.7 Ų123.783%0.82766%0.658SS**  cis-165.3167.9-15-150.6175.3-27.200109
989N27.2Very low25.8Very low115 Ų115120.7 Ų120.762%0.61565%0.654SS**  trans74.3134.1166.6-61.251.9000117.4
990D27.9Very low25.8Very low122 Ų122121 Ų12165%0.65266%0.664SS**  cis-154.2144.7-14.9-87.1-37.3000108.6
991D27.2Very low25.9Very low137 Ų137123 Ų12373%0.73368%0.675SS**  18.1146.7127.3-67.43.9000120.4
992I26.6Very low26.1Very low146 Ų146121.9 Ų121.975%0.74967%0.668SS**  cis-154.8169.22.7-123.6164.2000113
993F25.8Very low26.3Very low181 Ų181121.8 Ų121.879%0.79467%0.67SS**  trans-57.6170.7175.4-95.7-120.1000117.9
994E25.9Very low26.5Very low168 Ų168121.2 Ų121.279%0.78566%0.66SS**  trans103.8127.2130.7-113.9171.8-155.200123.1
995S25.3Very low26.6Very low123 Ų123124.8 Ų124.886%0.8668%0.676SS**  trans65.6154.4157.778.70000118.3
996G25.8Very low26.6Very low66 Ų66127.7 Ų127.768%0.6869%0.69SS**  cis175.6138.3-10.100000112.2
997F22.8Very low26.8Very low212 Ų212129.7 Ų129.793%0.9369%0.693SS**  trans33.6121.8161.2-84.8-90.1000121.4
998N24.9Very low26.9Very low146 Ų146133.3 Ų133.378%0.78170%0.7SS**  128154.7119.5-154.411.5000118
999V24.8Very low26.9Very low104 Ų104130.2 Ų130.263%0.6369%0.693SS**  trans74.9109.5162.3-157.90000121.3
1000N24.6Very low26.9Very low135 Ų135133.1 Ų133.172%0.72270%0.703SS**  trans-5.3140.3144.7-38.1-39.5000120.6
1001N27Very low26.8Very low132 Ų132134.3 Ų134.371%0.70671%0.709SS**  160.6145.1114.4-84.8-24.2000111.1
1002V28.6Very low26.7Very low75 Ų75134.2 Ų134.246%0.45571%0.708SS.*  cis165140.4-10.1129.50000105.6S1679 P1680V1002-S1679 PolarHBondContact O-N 3.33Å; V1002-P1680 HydrophobicContact CG1-CB 3.85Å
1003L29.7Very low26.6Very low98 Ų98133.2 Ų133.251%0.51370%0.701SS.*  trans-164147.4144.7-106.8-157.3000119.2I1678 S1679L1003-I1678 WeakPolarHBondContact CD1-O 3.48Å; L1003-I1678 VanDerWaalsContact CG-O 3.22Å; L1003-I1678 WeakPolarHBondContact CG-O 3.45Å; L1003-S1679 VanDerWaalsContact CD2-O 3.32Å; L1003-S1679 WeakPolarHBondContact CD2-O 3.41Å; L1003-S1679 VanDerWaalsContact CG-N 3.33Å
1004K28.9Very low26.7Very low85 Ų85130.3 Ų130.337%0.3769%0.689SS.*  trans1.9145.7140.1-71.9170.7167.574.20117.5S1679 P1680 D1681K1004-S1679 PolarHBondContact NZ-O 3.37Å; K1004-P1680 WeakPolarHBondContact CG-O 3.15Å; K1004-P1680 PolarHBondContact NZ-O 2.77Å; K1004-D1681 IonicContact NZ-OD2 3.27Å; K1004-D1681 PolarHBondContact NZ-OD2 3.08Å
1005E28.6Very low26.7Very low140 Ų140128 Ų12865%0.65468%0.682SS**  cis-162.7172.68.2-122.5172.4-107.600109.2
1006Q28.9Very low26.8Very low160 Ų160130.6 Ų130.675%0.74868%0.675SS**  cis-138.6-122.33.7-163.5179.890.500110.7
1007Q28.6Very low26.9Very low128 Ų128134.5 Ų134.560%0.59868%0.675SS**  trans-144.3162.7-173.3-63.4175.30.200110.7
1008V28.8Very low27.2Very low150 Ų150130.4 Ų130.491%0.90966%0.663SS**  trans-126.782164.1-177.70000109.7
1009V27.4Very low27.7Very low112 Ų112131.9 Ų131.968%0.67967%0.665SS**  trans-147.6132.2164.4-172.30000103.7
1010E26.3Very low28.1Very low175 Ų175130.4 Ų130.482%0.81867%0.671SS**  cis-139.8-169.416.1-146.4156.3-140.200112.6
1011L26.9Very low28.4Very low147 Ų147131.5 Ų131.577%0.7767%0.672SS**  trans-71.8174167.9-76.9157.5000112.4
1012N25.4Very low28.5Very low135 Ų135131 Ų13172%0.72267%0.665SS**  trans82.4108.3174-47.1-43.9000112.7
1013E24.6Very low28.4Very low126 Ų126133.8 Ų133.859%0.58967%0.673SS**  83.8136.771.5-81.7-161.414700113.4S1962 K1963E1013-S1962 WeakPolarHBondContact OE1-CB 3.31Å; E1013-S1962 PolarHBondContact OE1-OG 3.43Å; E1013-K1963 IonicContact OE1-NZ 3.68Å
1014E26.3Very low28.4Very low120 Ų120136.6 Ų136.656%0.56168%0.684SS**  trans63.793155.8-64.9-161.4-177.800119.9K1963E1014-K1963 WeakPolarHBondContact OE1-CE 3.38Å; E1014-K1963 IonicContact OE1-NZ 3.31Å; E1014-K1963 PolarHBondContact OE1-NZ 2.97Å
1015N25.8Very low28.3Very low118 Ų118138.4 Ų138.463%0.63170%0.697SS**  94.7126.6110.2-71.4-33.9000121
1016Y28.3Very low28.2Very low179 Ų179137.2 Ų137.270%0.70270%0.695SS**  trans86113.3131-80.6-144.2000120.1
1017Q27.7Very low28.1Very low147 Ų147137.9 Ų137.969%0.68770%0.698SS**  74.4153.2126.1-68178.5-28.600118
1018D30Very low27.9Very low127 Ų127138.1 Ų138.168%0.67970%0.699SS**  cis-152.2172.214.6-141.5-17.1000114.7
1019E33.6Very low27.7Very low176 Ų176138.3 Ų138.382%0.82269%0.688SS**  trans54.6121.3161.3-58.5-167.8157.100119.2
1020G33.8Very low27.5Very low73 Ų73139.2 Ų139.275%0.75369%0.689SS**  trans172.21.9-179.900000117.8
1021E30.4Very low27.5Very low159 Ų159137.9 Ų137.974%0.74369%0.687SS**  trans45.5125.9141.4-60.1-136.8117.600119.7
1022Q29.1Very low27.3Very low122 Ų122136.3 Ų136.357%0.5768%0.679SS**  cis-166144.114.6-115.9174.522.400111.1
1023Q28.3Very low27.2Very low133 Ų133134.8 Ų134.862%0.62168%0.675SS**  trans66.3135.9144-67.2165.130.300118.5
1024Q28.5Very low27.2Very low156 Ų156138.2 Ų138.273%0.72968%0.682SS**  cis-134.7135.9-2.4-102.6155.2-15.800107.7
1025L27.3Very low27.2Very low124 Ų124138.7 Ų138.765%0.64969%0.688SS**  51.6136.481-70.576.1000112.2
1026D26Very low27.2Very low114 Ų114140.3 Ų140.361%0.6170%0.697SS**  cis-166.4-164.3-7.1-105.4-18.6000105.8
1027E26.6Very low27.2Very low174 Ų174135.4 Ų135.481%0.81369%0.688SS**  trans64.3134.5138.4-83.5161.1-174.600117.9
1028E24.8Very low27.1Very low134 Ų134137.8 Ų137.863%0.62669%0.692SS**  cis-175-176.512.7-172.9180177.500107
1029F24.3Very low26.8Very low154 Ų154137.7 Ų137.768%0.67569%0.688SS**  trans74.1133.8168.5-54.6-75.1000117
1030N24.2Very low26.5Very low131 Ų131135 Ų13570%0.70167%0.673SS**  cis87.8137.240.3-88-64.7000115.5
1031L24.8Very low26.2Very low147 Ų147140.3 Ų140.377%0.7768%0.679SS**  trans72.4152.3147.8-70.9164.2000120.8
1032D24.4Very low26Very low114 Ų114137.7 Ų137.761%0.6167%0.67SS**  trans37.1122.4150.7-83.9-61.2000122.7
1033T22.7Very low25.8Very low102 Ų102138.7 Ų138.763%0.62668%0.677SS**  33136.5103.2-28.30000119.6
1034R25.2Very low25.8Very low199 Ų199138.6 Ų138.675%0.75168%0.68SS**  trans98.2121170.7-63.4-169.6175.779.44.2113.5
1035D25.3Very low25.6Very low129 Ų129136 Ų13669%0.6967%0.671SS**  64.110763.6-61.3-53.3000111.6
1036L25.9Very low25.6Very low153 Ų153136.4 Ų136.480%0.80167%0.669SS**  trans167.493.2151.6-91.4164.1000103.6Y1038L1036-Y1038 HydrophobicContact CD2-CD2 4.36Å
1037S28.6Very low25.5Very low76 Ų76139.4 Ų139.453%0.53167%0.672SS.*  cis54141.632.4100.90000112.3
1038Y25.3Very low25.5Very low196 Ų196139.3 Ų139.377%0.76967%0.666SS**  trans67.1146.1-175.2-55.7-50.2000115.3L1036L1036-Y1038 HydrophobicContact CD2-CD2 4.36Å
1039E24.6Very low25.5Very low126 Ų126138.4 Ų138.459%0.58967%0.665SS**  cis-146.7165.3-3-128.7174.9-178.600112.7
1040K27.2Very low25.5Very low119 Ų119138.1 Ų138.152%0.51767%0.67SS.*  trans17.4128.1142.4-68.2159.3179.2150.20117.1D1042K1040-D1042 HydrophobicContact CB-CB 4.13Å; K1040-D1042 WeakPolarHBondContact CD-OD2 3.43Å; K1040-D1042 WeakPolarHBondContact CE-OD2 3.35Å; K1040-D1042 HydrophobicContact CG-CB 4.16Å; K1040-D1042 VanDerWaalsContact CG-CG 3.48Å; K1040-D1042 WeakPolarHBondContact CG-OD2 3.49Å
1041E27.3Very low25.4Very low184 Ų184136.1 Ų136.186%0.8667%0.667SS**  -122.7115.280.4-100.1159.4-170.200106.5
1042D24.8Very low25.4Very low105 Ų105137 Ų13756%0.56167%0.671SS**  37.9113.768.3-84.6-9.1000110.9K1040K1040-D1042 HydrophobicContact CB-CB 4.13Å; K1040-D1042 WeakPolarHBondContact CD-OD2 3.43Å; K1040-D1042 WeakPolarHBondContact CE-OD2 3.35Å; K1040-D1042 HydrophobicContact CG-CB 4.16Å; K1040-D1042 VanDerWaalsContact CG-CG 3.48Å; K1040-D1042 WeakPolarHBondContact CG-OD2 3.49Å
1043I26.5Very low25.3Very low142 Ų142135.5 Ų135.573%0.72867%0.67SS**  -179.6120.5118.7-95158000110.8
1044I27.8Very low25.4Very low132 Ų132137.9 Ų137.968%0.67768%0.677SS**  trans65.9105.4159.3-66.4169.7000114.9
1045D23.8Very low25.5Very low101 Ų101135.1 Ų135.154%0.5468%0.677SS.*  67.9159.452.2-162.76000112.3R1047D1045-R1047 IonicContact OD1-NE 3.85Å; D1045-R1047 PolarHBondContact OD1-NE 3.08Å
1046H28Very low25.4Very low132 Ų132137.4 Ų137.461%0.61168%0.683SS**  trans7683.6-179.5-47.1-11000111
1047R23.8Very low25.4Very low178 Ų178138.1 Ų138.167%0.67269%0.688SS**  59.6160.362.6-50170.4-180-140.5-2.6113D1045D1045-R1047 IonicContact OD1-NE 3.85Å; D1045-R1047 PolarHBondContact OD1-NE 3.08Å
1048Y25.3Very low25.4Very low172 Ų172137.6 Ų137.668%0.67570%0.695SS**  trans80.1130.9171.6-60.4-79.5000115
1049D24.8Very low25.4Very low114 Ų114136.1 Ų136.161%0.6170%0.699SS**  cis178.8158.5-26.3-113.112.1000105.7
1050N24.8Very low25.6Very low148 Ų148135.2 Ų135.279%0.79171%0.707SS**  trans68.9145.9167.1-58.6-50.4000115.3
1051S22.9Very low25.9Very low90 Ų90135.3 Ų135.363%0.62972%0.72SS**  cis-172.9142.5-4.7400000112.2
1052L23.7Very low25.7Very low164 Ų164135 Ų13586%0.85972%0.722SS**  trans64.1149.8157-83.380000117
1053S24Very low25.7Very low83 Ų83135.5 Ų135.558%0.5873%0.73SS**  cis-175.9160.6-11.449.20000111.1
1054I24.9Very low25.6Very low152 Ų152135.8 Ų135.878%0.77973%0.733SS**  trans73.8127.8159.4-67.8156.5000114.5
1055L25.3Very low25.4Very low142 Ų142135.7 Ų135.774%0.74373%0.728SS**  cis-152.7179.5-3.4-124.3178.3000111.6
1056E25.1Very low25.4Very low176 Ų176134.5 Ų134.582%0.82272%0.724SS**  trans70.6128.4166.9-68.9171.1147.300118.1
1057N25.8Very low25.3Very low169 Ų169134.1 Ų134.190%0.90473%0.726SS**  trans-121.5148.9-171.3-54.6-51.7000110.6
1058G27.1Very low25.3Very low65 Ų65134.2 Ų134.267%0.6773%0.731SS**  cis125.294.8-2.400000113.7
1059L26.7Very low25.3Very low165 Ų165130.5 Ų130.586%0.86473%0.73SS**  trans47.2107.8145.6-55.4177.1000118
1060S27Very low25.3Very low107 Ų107128.6 Ų128.675%0.74874%0.738SS**  112.2159.778.7-84.10000111.3
1061P33.5Very low25.4Very low121 Ų121130 Ų13079%0.78674%0.739SS**  trans-100154.3-152.837.1-35.9000115.4
1062L23.9Very low25.4Very low176 Ų176133.3 Ų133.392%0.92175%0.745SS**  trans-161.1153.2153.4-114.1161.3000112.3
1063T24.3Very low25.4Very low117 Ų117129.7 Ų129.772%0.71873%0.725SS**  trans-92.5132.8-173.250.40000113.6
1064N24.8Very low25.7Very low147 Ų147129.2 Ų129.279%0.78672%0.721SS**  trans-173.4116141.1-92.9-41.9000108.4
1065K24Very low25.9Very low131 Ų131126.2 Ų126.257%0.5771%0.712SS**  7199.484-81-168.5165.4-66.40116E1933K1065-E1933 IonicContact NZ-OE1 3.01Å; K1065-E1933 IonicContact NZ-OE2 3.47Å; K1065-E1933 PolarHBondContact NZ-OE2 2.84Å
1066T24Very low25.7Very low75 Ų75124.4 Ų124.446%0.4671%0.71SS.*  84.3134.6119.1-59.40000119.3D1932T1066-D1932 WeakPolarHBondContact CG2-OD2 3.3Å
1067L24.9Very low25.6Very low125 Ų125120.4 Ų120.465%0.65470%0.702SS**  trans58.2115.1165.1-74.1166.4000116.1
1068K25Very low25.5Very low179 Ų179119 Ų11978%0.77869%0.694SS**  cis-155.5141.240.2-75.6-168.7178.6171.80110.5
1069S24.3Very low25.4Very low94 Ų94122.8 Ų122.866%0.65770%0.699SS**  cis79118.946.588.80000114.3
1070G25.1Very low25.4Very low75 Ų75120.1 Ų120.177%0.77369%0.689SS**  trans90.3138.2176.800000112.9
1071E26.7Very low25.4Very low176 Ų176120.7 Ų120.782%0.82269%0.688SS**  cis-140.2130.64.7-96.3170-179.200108.1
1072Q23.8Very low25.4Very low161 Ų161118 Ų11875%0.75267%0.669SS**  62.5140.188.9-79.1-164.1-10.500114.5
1073M23.9Very low25.8Very low88 Ų88113.9 Ų113.943%0.43365%0.651SS.*  cis-171.5123.7-16.1-136.2172.6170.700106.8E1927M1073-E1927 HydrophobicContact CE-CB 3.9Å; M1073-E1927 VanDerWaalsContact CG-OE2 3.26Å; M1073-E1927 WeakPolarHBondContact CG-OE2 3.43Å
1074S29.6Very low26.2Very low72 Ų72111.8 Ų111.850%0.50364%0.639SS.*  trans54.6-161162.880.10000114.6
1075P28.5Very low26.5Very low90 Ų90109.3 Ų109.358%0.58463%0.63SS**  cis-127.7155.7-23.234-18.6000114.6
1076C22.1Very low26.7Very low103 Ų103106.3 Ų106.370%0.69664%0.637SS**  trans66166140.9-72.90000121.4
1077S22.8Very low27Very low93 Ų93110.1 Ų110.165%0.6565%0.649SS**  trans67.696.5158.444.80000118.5
1078D23.7Very low27.4Very low139 Ų139112.3 Ų112.374%0.74366%0.658SS**  72.8119.7111.8-56.4-12000120.1
1079N24.2Very low27.5Very low145 Ų145110.2 Ų110.278%0.77566%0.656SS**  trans80.1141.9130.8-67.2-15.1000120.8
1080V26.5Very low27.8Very low109 Ų109112 Ų11266%0.66166%0.658SS**  cis-163.9143.4-24.896.80000111.5
1081V28.7Very low27.8Very low119 Ų119112.7 Ų112.772%0.72165%0.651SS**  trans33-139176.3-138.70000114.8T1084V1081-T1084 HydrophobicContact CG1-CG2 3.91Å
1082V32.4Very low27.7Very low65 Ų65113.4 Ų113.439%0.39465%0.651SS.*  cis-132.4134.8-5-168.60000104.2T1084V1082-T1084 HydrophobicContact CG1-CG2 4.13Å
1083T31.8Very low27.8Very low89 Ų89110.9 Ų110.955%0.54664%0.643SS.*  cis-141.7139.84933.30000111.4
1084T33Very low27.9Very low73 Ų73113.8 Ų113.845%0.44865%0.654SS.*  cis71.5155.427.7790000116V1081 V1082V1081-T1084 HydrophobicContact CG1-CG2 3.91Å; V1082-T1084 HydrophobicContact CG1-CG2 4.13Å
1085P31.8Very low27.5Very low94 Ų94117 Ų11761%0.6166%0.663SS**  cis-103.4-176-13.70.324.8000111.8L1184P1085-L1184 HydrophobicContact CG-CD2 4Å
1086G29.2Very low27.3Very low69 Ų69120.5 Ų120.571%0.71167%0.672SS**  cis101.3155.231.800000110.2
1087E29.6Very low27.3Very low154 Ų154120.4 Ų120.472%0.7267%0.673SS**  cis-156.2143.23.7-100.6151162.400108.1
1088M32.2Very low27.2Very low171 Ų171124.7 Ų124.784%0.84268%0.682SS**  58.6146.5100.6-52-164-16700115
1089D28.1Very low27.4Very low135 Ų135126.6 Ų126.672%0.72269%0.687SS**  -177.916984.5-139.3-12.5000115.2
1090N30.6Very low27.9Very low132 Ų132124 Ų12471%0.70668%0.678SS**  trans70.8114.8170.9-55-69.4000118.2
1091S25.8Very low27.8Very low89 Ų89125 Ų12562%0.62268%0.678SS**  cis87.2132.616.9113.80000117.6
1092F24.3Very low27.7Very low191 Ų191125.9 Ų125.984%0.83867%0.674SS**  trans43.9154162.1-67.7-91.6000120.1
1093D24.6Very low27.5Very low109 Ų109131.5 Ų131.558%0.58370%0.696SS**  cis-155.9172.816.1-153.51.2000113.7
1094K26.7Very low27.4Very low149 Ų149130.5 Ų130.565%0.64870%0.704SS**  trans-3.1156.6152.2-81.9177.8-137.569.30123.8
1095I21.9Very low27.1Very low138 Ų138130.6 Ų130.671%0.70872%0.719SS**  trans104.4112.3141-77148.9000120.1
1096Q23.4Very low26.9Very low165 Ų165135 Ų13577%0.77172%0.724SS**  trans27.5129.6139.6-47.1177.3-4800122.6
1097S21.3Very low26.7Very low101 Ų101140.2 Ų140.271%0.70672%0.724SS**  trans79.7133.6131.567.70000122
1098Q22.5Very low26.6Very low183 Ų183138.9 Ų138.986%0.85572%0.718SS**  trans76.2117.4156.8-66.2172.116.300119.2
1099Q27.2Very low26.3Very low179 Ų179137.4 Ų137.484%0.83671%0.709SS**  -6.6164.7125.1-84-171.2-49.100118.4
1100P33.8Very low26.1Very low90 Ų90136.3 Ų136.358%0.58470%0.702SS**  cis-142.4-148.9-21.934-10.4000111.7
1101I25.8Very low25.8Very low131 Ų131138.2 Ų138.267%0.67270%0.704SS**  trans76.2144.1142.5-87.3178.3000116.1
1102E26.3Very low25.8Very low137 Ų137141.5 Ų141.564%0.6471%0.709SS**  cis-158.2165.5-4.6-125.8149.7-154.600110.4
1103E28.7Very low26.2Very low183 Ų183141.4 Ų141.486%0.85571%0.705SS**  trans48.1151147.5-71.8168.6-176.200123.1
1104G28.9Very low26.5Very low68 Ų68141.1 Ų141.170%0.70171%0.709SS**  cis169.8158.9-900000115.9
1105G27.1Very low26.5Very low74 Ų74139 Ų13976%0.76371%0.705SS**  trans93.2162.914400000117.6
1106Y27Very low27Very low186 Ų186139.7 Ų139.773%0.72971%0.705SS**  cis-148133.513.8-109.6-102.9000111.7
1107Y25.9Very low27.2Very low180 Ų180135.6 Ų135.671%0.70669%0.688SS**  trans63.2160.7139.9-75.7-148.9000117.6
1108E26.5Very low27.7Very low126 Ų126136.3 Ų136.359%0.58968%0.68SS**  cis-151132.4-16.9-113.7-17914900105.3
1109Q25.2Very low28.1Very low139 Ų139133.4 Ų133.465%0.6567%0.669SS**  77.2152.288.2-160.1-160.699.900113.9
1110I24.7Very low28.1Very low112 Ų112131.9 Ų131.957%0.57467%0.665SS**  trans82.3104.2163-53-164.8000118.9
1111K24.7Very low27.8Very low172 Ų172133.4 Ų133.475%0.74866%0.664SS**  trans69.4160145-62.8171.1-171.9161.90118.6
1112Q25.8Very low27.9Very low159 Ų159133.8 Ų133.874%0.74366%0.664SS**  cis-162156.3-18.5-114.6175.9-96.800110.1
1113Y33Very low28Very low188 Ų188133.1 Ų133.174%0.73766%0.661SS**  trans-64.9141.8153-76.9-101.9000109.3
1114P30.1Very low28.1Very low104 Ų104127.8 Ų127.868%0.67566%0.655SS**  -124.3159.678.17.415.8000112.3
1115D26.8Very low28.3Very low105 Ų105133.4 Ų133.456%0.56166%0.656SS**  cis77.7103.436.2-59.4-28000115.5
1116E31.4Very low28.5Very low151 Ų151136 Ų13671%0.70665%0.648SS**  trans62.3175.2131.6-48.9-176.9142.600121.4
1117N28.2Very low28.8Very low79 Ų79134.3 Ų134.342%0.42264%0.644SS.*  trans77135.9143.6-74.37.1000119.3N920N920-N1117 PolarHBondContact OD1-O 2.88Å; N920-N1117 VanDerWaalsContact OD1-O 3.04Å
1118E32.3Very low28.9Very low116 Ų116131.8 Ų131.854%0.54264%0.642SS.*  cis-171.4172.65-131.9173.7133.600115.3
1119M29.8Very low29Very low123 Ų123132 Ų13261%0.60665%0.646SS**  trans68.6166.6149.9-72165.119.300115.1
1120I27.4Very low29.1Very low147 Ų147130.7 Ų130.775%0.75464%0.644SS**  cis-150.1153.735.3-77.3174.6000109.4
1121Q28.2Very low29.1Very low121 Ų121134.7 Ų134.757%0.56565%0.653SS**  cis173169.6-19.1-162.3-18061.800107.6
1122M27.1Very low29.1Very low139 Ų139130.9 Ų130.969%0.68565%0.648SS**  trans70.7157.3160.8-52.8-58.6-102.900118.2
1123E29.3Very low29.2Very low123 Ų123130.6 Ų130.658%0.57565%0.649SS**  cis-168.5149.1-29.5171.5167.1-150.500108.7R1125E1123-R1125 IonicContact OE1-CZ 3.11Å; E1123-R1125 IonicContact OE1-NE 3.35Å; E1123-R1125 PolarHBondContact OE1-NE 2.93Å; E1123-R1125 IonicContact OE1-NH2 2.68Å; E1123-R1125 PolarHBondContact OE1-NH2 2.79Å
1124G30Very low28.8Very low71 Ų71126.9 Ų126.973%0.73264%0.641SS**  trans139.361165.500000116
1125R33.6Very low28.7Very low187 Ų187129.6 Ų129.671%0.70665%0.645SS**  81.5145.860.5-160.5-148.9-95.3-144.8-2.2113.2E1123E1123-R1125 IonicContact OE1-CZ 3.11Å; E1123-R1125 IonicContact OE1-NE 3.35Å; E1123-R1125 PolarHBondContact OE1-NE 2.93Å; E1123-R1125 IonicContact OE1-NH2 2.68Å; E1123-R1125 PolarHBondContact OE1-NH2 2.79Å
1126E32Very low28.7Very low128 Ų128129.2 Ų129.260%0.59865%0.651SS**  trans93.3134.3164.1-54.7-147.3137.900116.7
1127K32.1Very low28.5Very low151 Ų151129.1 Ų129.166%0.65765%0.65SS**  cis-167.1156.93.4-105.6165.6172148.30107.4
1128L28.4Very low28.5Very low126 Ų126131 Ų13166%0.6666%0.66SS**  cis-175.6170.4-9.4-118.5179.2000109.7
1129I29.1Very low28.3Very low131 Ų131132.5 Ų132.567%0.67267%0.667SS**  trans72.6129.5146.4-74.9162.2000118.4
1130N26.6Very low28.3Very low112 Ų112132.4 Ų132.460%0.59967%0.668SS**  cis-166.8139.3-8.4-118.817.6000114.1
1131Y25.9Very low28.4Very low195 Ų195130.5 Ų130.577%0.76567%0.668SS**  59.7130.1129-82.7-120.7000123.3
1132S24.6Very low28.9Very low93 Ų93128.8 Ų128.865%0.6567%0.667SS**  79.9148.4127.1-73.60000121.5
1133M26.5Very low29Very low153 Ų153130 Ų13075%0.75467%0.669SS**  cis-173.3-175.4-23.9-140.3162.7141.700109.3
1134D26Very low29.1Very low110 Ų110131.6 Ų131.659%0.58868%0.676SS**  trans71.995.5149-62.3-9.9000120.3
1135H28.3Very low29Very low160 Ų160131.7 Ų131.774%0.74167%0.67SS**  76.5121.1110.6-70.3-45000122.1
1136S26.1Very low28.9Very low98 Ų98130.8 Ų130.869%0.68567%0.674SS**  75.8158.7121.1950000118.6
1137Q27.6Very low28.7Very low149 Ų149130 Ų13070%0.69668%0.678SS**  cis-161-176.1-5.4-139.3173.2-79.200109.5
1138D27.5Very low28.5Very low117 Ų117129.5 Ų129.563%0.62668%0.682SS**  trans70.8141.7142.4-72.2-3000120.8
1139E28.9Very low28.4Very low148 Ų148129.1 Ų129.169%0.69269%0.685SS**  cis-169.3-179.7-18.9-142.5-168176.500110.3
1140L29.9Very low28.3Very low122 Ų122128.8 Ų128.864%0.63969%0.689SS**  trans68.698.2151.6-66.8160.6000119.8
1141S29.6Very low28.3Very low107 Ų107126.8 Ų126.875%0.74869%0.688SS**  42179.786.3-43.60000119.2
1142P38Very low28.4Very low84 Ų84124 Ų12455%0.54569%0.686SS.*  cis-131-160.9-11.619.18000113
1143F30Very low28.5Very low166 Ų166124.8 Ų124.873%0.72869%0.687SS**  trans100134.8151.1-56.2-46000117.6
1144H30.2Very low28.4Very low156 Ų156122.8 Ų122.872%0.72268%0.683SS**  cis-159.8157.2-9.9-130.8-43.5000109.1
1145A28.3Very low28.5Very low72 Ų72122.5 Ų122.560%0.59569%0.686SS**  trans47.5150.9135.700000120.8
1146E30.8Very low28.4Very low169 Ų169121 Ų12179%0.7968%0.683SS**  cis-144.9137.87.7-136.7135.4-141.700109.5
1147T27.4Very low28.5Very low112 Ų112123.4 Ų123.469%0.68769%0.687SS**  trans-27.1137.3139.939.90000114.4
1148D28.5Very low28.7Very low140 Ų140124.5 Ų124.575%0.74970%0.695SS**  -160.4133.6116.2-99.4-4.9000108.9
1149V27.1Very low28.9Very low118 Ų118123.1 Ų123.172%0.71569%0.692SS**  74.2121.561.1168.90000109.8
1150V26.7Very low28.7Very low123 Ų123122 Ų12275%0.74569%0.691SS**  cis-150.3169.36980000113.2
1151A27.4Very low28.5Very low70 Ų70124 Ų12458%0.57970%0.695SS**  trans-49.5166.1168.900000114.8
1152N27.2Very low28.2Very low136 Ų136123.9 Ų123.973%0.72769%0.69SS**  -163.5141.1109.4-91.4-17.8000109.3
1153V26.4Very low27.5Very low111 Ų111128 Ų12867%0.67370%0.702SS**  64.9117.863.5151.40000109.4
1154T25.3Very low27.2Very low111 Ų111124.5 Ų124.568%0.68170%0.697SS**  cis-151.217010.85.50000113
1155T26.6Very low26.9Very low104 Ų104128.1 Ų128.164%0.63871%0.705SS**  trans-18150.2138.362.60000116.3
1156D27Very low27Very low129 Ų129130.2 Ų130.269%0.6972%0.715SS**  -178.9122.9106.4-87.5-9.8000112.2
1157L27.5Very low27.1Very low147 Ų147126.2 Ų126.277%0.7771%0.706SS**  59.8118.3128.1-57.1168.6000120.5
1158M33.4Very low27.6Very low173 Ų173127.2 Ų127.285%0.85271%0.707SS**  24.5153.7114.4-97.2-16514500120.6
1159P31.9Very low28.2Very low88 Ų88127.4 Ų127.457%0.57171%0.707SS**  cis-141-167.4-4.732.1-7.5000114.2
1160D24Very low28.9Very low124 Ų124126.2 Ų126.266%0.66370%0.701SS**  77.7146.5129.1-90.1-14.5000123.8
1161F24.7Very low29.5Very low164 Ų164128.2 Ų128.272%0.71970%0.702SS**  trans62.3114143.8-76.9-59.5000121.8
1162T23.5Very low29.9Very low105 Ų105133.6 Ų133.664%0.64472%0.715SS**  trans72.8108.113545.70000120.3
1163E24.2Very low30.2Very low171 Ų171131.4 Ų131.480%0.79971%0.708SS**  77150.7102.9-157.9179-152.400119.1
1164S22.7Very low30.1Very low91 Ų91131.9 Ų131.964%0.63671%0.707SS**  trans63.290156.457.60000119.1
1165R25.2Very low30.2Very low232 Ų232134.4 Ų134.488%0.87571%0.709SS**  62.9123.6115.6-74.7174.8158.8171.2-5.8119.5
1166S29.9Very low30.1Very low117 Ų117136.7 Ų136.782%0.81871%0.71SS**  75.1158.6129.483.90000117.1
1167S33.5Very low30.1Very low84 Ų84135.4 Ų135.459%0.58770%0.7SS**  cis-148.5-161.33580000109.6
1168N37.8Very low30.2Very low133 Ų133135 Ų13571%0.71169%0.694SS**  trans92.8141.7158.7-51.9-34.6000116.2
1169L41Very low30Very low144 Ų144134.4 Ų134.475%0.75469%0.689SS**  cis-166.6154-4.1-109.2168.7000105.8
1170T41.3Very low29.9Very low94 Ų94138 Ų13858%0.57770%0.698SS**  cis-155170.412.4-35.70000109.8
1171E39.3Very low30.1Very low165 Ų165136 Ų13677%0.77169%0.693SS**  trans57.696.9157.2-83.5141.2-129.800116
1172Q36.4Very low30.2Very low182 Ų182130.6 Ų130.685%0.8568%0.684SS**  55.2147.254.6-59.7-161.2-82.500114.9
1173P32.5Very low30.3Very low91 Ų91131.2 Ų131.259%0.59168%0.684SS**  cis-128.4-173.96.144.2-29.6000114.3
1174D25.3Very low30.4Very low121 Ų121127.3 Ų127.365%0.64767%0.668SS**  trans66.7165.3141.1-64.5-19.6000121.9
1175F25.7Very low30.5Very low164 Ų164128.2 Ų128.272%0.71967%0.665SS**  trans48109.3145.4-65-43.9000117.1
1176K24.8Very low30.8Very low152 Ų152123.4 Ų123.466%0.66165%0.653SS**  cis-142.1147.924.8-102.9-177.1-174.8-76.30110.7
1177E28.3Very low30.7Very low102 Ų102121.2 Ų121.248%0.47764%0.637SS.*  47.2129.489.4-62.3167.8-146.900111.9
1178E29.4Very low30.6Very low139 Ų139125.4 Ų125.465%0.6565%0.647SS**  cis-130.8157.9-4.5-103.6130.9-159.800105.5
1179E28.6Very low30.4Very low159 Ų159125.6 Ų125.674%0.74365%0.647SS**  50.7139.967.2-43176.7175.100111
1180E29.7Very low29.9Very low164 Ų164126 Ų12677%0.76665%0.645SS**  cis-135.4-154.712.4-147.1160.6-17600110.8
1181S27.5Very low29.4Very low81 Ų81130.8 Ų130.857%0.56665%0.653SS**  trans-41.3170.7154.349.60000112.2
1182G26.5Very low29.3Very low51 Ų51131 Ų13153%0.52665%0.654SS.*  47.3133.571.100000111.5
1183N26.2Very low29Very low118 Ų118127.4 Ų127.463%0.63165%0.647SS**  cis-137.9-145.544.5-89.3-19.1000107.2
1184L27Very low28.9Very low89 Ų89133.3 Ų133.347%0.46666%0.658SS.*  36140.953.90.2156.6000110.6P1085P1085-L1184 HydrophobicContact CG-CD2 4Å
1185D24.6Very low29Very low110 Ų110132.5 Ų132.559%0.58866%0.661SS**  -110.8120.654-74.6-31.3000114.1
1186E31.1Very low29.2Very low131 Ų131130 Ų13061%0.61265%0.654SS**  83.2106.2124.2-67.5178.3153.300116.5
1187C27.9Very low29.3Very low71 Ų71130.4 Ų130.448%0.4866%0.659SS.*  45.1115.5103.6-55.40000116.4
1188E32.6Very low29.4Very low173 Ų173132.7 Ų132.781%0.80867%0.669SS**  76.3-161.8124-158.1171.1-152.100113
1189I32.2Very low29.4Very low136 Ų136130.6 Ų130.670%0.69767%0.666SS**  trans56.666.1175.3-41-175.7000113.7
1190H30.8Very low29.5Very low153 Ų153128.2 Ų128.271%0.70867%0.667SS**  66125.3110.5-75.4-31.6000120.2
1191Y31Very low29.5Very low194 Ų194124.8 Ų124.876%0.76165%0.654SS**  trans71.8133.6142.5-78.4-117.5000118.3
1192Q38.3Very low29.7Very low169 Ų169127.7 Ų127.779%0.7966%0.658SS**  8.7140.2121.9-66-174.21.500117.4
1193P29.2Very low29.8Very low108 Ų108130.6 Ų130.670%0.70166%0.662SS**  cis-144.4-179.642.940.5-21.8000116.7
1194R30.7Very low29.9Very low215 Ų215130 Ų13081%0.81166%0.658SS**  trans-6130.6138.6-55.1168.9178.3177.2-3.7112.9I1196R1194-I1196 HydrophobicContact CB-CD1 4.05Å; R1194-I1196 HydrophobicContact CB-CG1 4.36Å; R1194-I1196 HydrophobicContact CG-CD1 4.2Å
1195S26.9Very low30Very low103 Ų103132.8 Ų132.872%0.7267%0.668SS**  -142.3148.873.6690000110.4
1196I29.2Very low30.1Very low111 Ų111133.8 Ų133.857%0.56967%0.674SS**  49.111256.1-33165.6000107.1R1194R1194-I1196 HydrophobicContact CB-CD1 4.05Å; R1194-I1196 HydrophobicContact CB-CG1 4.36Å; R1194-I1196 HydrophobicContact CG-CD1 4.2Å
1197E27.8Very low30Very low162 Ų162133 Ų13376%0.75768%0.677SS**  -174.5141.576.7-78.7162.8-174.800104.3
1198E29.4Very low29.9Very low149 Ų149137 Ų13770%0.69669%0.689SS**  cis-141.8146.7-8.1-103156.3170.900104.9
1199T30.2Very low29.5Very low96 Ų96133.9 Ų133.959%0.58969%0.685SS**  36.1143.192.494.60000113.7N1201T1199-N1201 WeakPolarHBondContact CB-OD1 3.33Å; T1199-N1201 PolarHBondContact OG1-OD1 2.97Å
1200S30.6Very low29.1Very low109 Ų109134.3 Ų134.376%0.76269%0.687SS**  -176.7145.780.633.90000112.1
1201N29.3Very low28.8Very low91 Ų91134.4 Ų134.449%0.48769%0.688SS.*  cis-161.8145.6-5.3-117.29.4000110.4T1199T1199-N1201 WeakPolarHBondContact CB-OD1 3.33Å; T1199-N1201 PolarHBondContact OG1-OD1 2.97Å
1202E31.4Very low28.5Very low142 Ų142133.2 Ų133.266%0.66468%0.682SS**  trans72.5150.6130.6-69.9-178.4135.800118.3
1203N28.7Very low28Very low113 Ų113130.9 Ų130.960%0.60467%0.671SS**  cis-167.7168.23.8-121.8-16000109.6
1204I29.4Very low27.8Very low105 Ų105133.3 Ų133.354%0.53867%0.673SS.*  cis-164.2158.36-157.5162.2000109.9
1205Q29.5Very low27.7Very low147 Ų147128.8 Ų128.869%0.68766%0.664SS**  trans63.2157.6154.5-82.8144.52300119.6
1206D27Very low27.9Very low132 Ų132129.5 Ų129.571%0.70666%0.664SS**  cis-174.4-172.1-32-110.7-3.5000107.6
1207V27.3Very low27.9Very low113 Ų113129.9 Ų129.969%0.68566%0.663SS**  trans75.879.4161.5-1650000113.4
1208Q26.3Very low27.9Very low156 Ų156126.9 Ų126.973%0.72965%0.649SS**  79.1117.189.4-71.1158.634.300112.4
1209C24.9Very low27.9Very low107 Ų107126.9 Ų126.972%0.72365%0.647SS**  66.9127.666.4-66.60000113.6
1210I24.4Very low28Very low146 Ų146126.4 Ų126.475%0.74964%0.641SS**  trans71.8111.8162.5-55.3154.7000112
1211H24.5Very low28.1Very low155 Ų155124.3 Ų124.372%0.71862%0.621SS**  -170.615360.5-129-17.2000112.6
1212R24.1Very low28.2Very low168 Ų168123.3 Ų123.363%0.63462%0.615SS**  trans75.8139.6143.1-73.4179.8125.3-153.4-19.3118.4
1213E27Very low28.3Very low121 Ų121120.4 Ų120.457%0.56560%0.603SS**  49.9123.890.4-44.5162.5-156.100111.4
1214Q25.7Very low28.3Very low158 Ų158119.3 Ų119.374%0.73860%0.597SS**SBendtrans6785.8-174-52.7154.85.300113.8
1215I28.3Very low28.4Very low121 Ų121119.4 Ų119.462%0.62160%0.596SS**SBend-152.33.688.9-95.2162.3000112.7E1217 H1218 F1219I1215-E1217 PolarHBondContact O-N 2.74Å; I1215-H1218 HydrophobicContact CB-CB 4.36Å; I1215-H1218 HydrophobicContact CG1-CB 4.1Å; I1215-H1218 HydrophobicContact CG2-CB 4.29Å; I1215-H1218 WeakPolarHBondContact O-CA 3.35Å; I1215-H1218 PolarHBondContact O-N 2.83Å; I1215-F1219 PolarHBondContact O-N 2.96Å
1216T31Very low28.3Very low117 Ų117119.5 Ų119.572%0.71860%0.6SS**THydrogen-bonded Turntrans-63.3-13.7162.3-43.10000111.6N1220T1216-N1220 WeakPolarHBondContact O-CB 3.45Å
1217E28.9Very low28.3Very low120 Ų120121 Ų12156%0.56160%0.603SS**THydrogen-bonded Turntrans-97.838.4164.1-58.6163.3133.200111I1215 D1221I1215-E1217 PolarHBondContact O-N 2.74Å; E1217-D1221 WeakPolarHBondContact CA-OD1 3.28Å
1218H28.7Very low28.4Very low99 Ų99121.1 Ų121.146%0.45860%0.6SS.*THydrogen-bonded Turntrans-158.7-29.1177.1-153.8-43.1000113.6I1215 D1221 I1222I1215-H1218 HydrophobicContact CB-CB 4.36Å; I1215-H1218 HydrophobicContact CG1-CB 4.1Å; I1215-H1218 HydrophobicContact CG2-CB 4.29Å; I1215-H1218 WeakPolarHBondContact O-CA 3.35Å; I1215-H1218 PolarHBondContact O-N 2.83Å; H1218-D1221 CarbonylContact O-C 3.49Å; H1218-I1222 VanDerWaalsContact O-CB 3.28Å; H1218-I1222 WeakPolarHBondContact O-CB 3.37Å; H1218-I1222 WeakPolarHBondContact O-CD1 3.23Å; H1218-I1222 WeakPolarHBondContact O-CG1 3.14Å; H1218-I1222 PolarHBondContact O-N 2.98Å
1219F29.3Very low28.6Very low149 Ų149119.9 Ų119.965%0.65459%0.594SS**SBendtrans-81.2-44.9166.1-146.4-100.4000110.2I1215 I1222 I1223I1215-F1219 PolarHBondContact O-N 2.96Å; F1219-I1222 PolarHBondContact O-N 3.28Å; F1219-I1222 VanDerWaalsContact O-N 3.14Å; F1219-I1223 PolarHBondContact O-N 3.4Å; F1219-I1223 VanDerWaalsContact O-N 3.12Å
1220N32.8Very low28.8Very low86 Ų86118.8 Ų118.846%0.4658%0.58SS.*Hα-helixtrans-68.1-35.5165.9-69.24.6000111.2T1216 I1222 I1223 N1224T1216-N1220 WeakPolarHBondContact O-CB 3.45Å; N1220-I1222 PolarHBondContact O-N 2.73Å; N1220-I1223 PolarHBondContact O-N 2.82Å; N1220-N1224 WeakPolarHBondContact O-CA 3.29Å; N1220-N1224 WeakPolarHBondContact O-CB 3.31Å; N1220-N1224 PolarHBondContact O-N 3.1Å; N1220-N1224 PolarHBondContact O-OD1 3.01Å
1221D32.3Very low29Very low64 Ų64114.7 Ų114.734%0.34257%0.565SS.*Hα-helixtrans-78.97.8170.5-52.634.2000113.4E1217 H1218 Q1225E1217-D1221 WeakPolarHBondContact CA-OD1 3.28Å; H1218-D1221 CarbonylContact O-C 3.49Å; D1221-Q1225 WeakPolarHBondContact O-CB 3.13Å; D1221-Q1225 WeakPolarHBondContact O-CG 3.43Å; D1221-Q1225 PolarHBondContact O-NE2 3.15Å
1222I31.6Very low29.3Very low71 Ų71109.8 Ų109.836%0.36455%0.547SS..Hα-helixtrans-96.5-42.4162.4-86.8167000109.4H1218 F1219 N1220 Q1225 L1226H1218-I1222 VanDerWaalsContact O-CB 3.28Å; H1218-I1222 WeakPolarHBondContact O-CB 3.37Å; H1218-I1222 WeakPolarHBondContact O-CD1 3.23Å; H1218-I1222 WeakPolarHBondContact O-CG1 3.14Å; H1218-I1222 PolarHBondContact O-N 2.98Å; F1219-I1222 PolarHBondContact O-N 3.28Å; F1219-I1222 VanDerWaalsContact O-N 3.14Å; N1220-I1222 PolarHBondContact O-N 2.73Å; I1222-Q1225 PolarHBondContact O-N 3.46Å; I1222-Q1225 VanDerWaalsContact O-N 3.12Å; I1222-L1226 HydrophobicContact CG2-CD1 4.11Å; I1222-L1226 WeakPolarHBondContact O-CB 3.42Å; I1222-L1226 WeakPolarHBondContact O-CG 3.36Å; I1222-L1226 PolarHBondContact O-N 3.08Å
1223I32Very low29.3Very low80 Ų80103.9 Ų103.941%0.4153%0.531SS..Hα-helixtrans-64.6-47.8172.7-65.4174.7000109.3F1219 N1220 Q1225 L1226 Q1227F1219-I1223 PolarHBondContact O-N 3.4Å; F1219-I1223 VanDerWaalsContact O-N 3.12Å; N1220-I1223 PolarHBondContact O-N 2.82Å; I1223-Q1225 PolarHBondContact O-N 3.35Å; I1223-Q1225 VanDerWaalsContact O-N 3.12Å; I1223-L1226 PolarHBondContact O-N 3.18Å; I1223-Q1227 WeakPolarHBondContact O-CB 3.3Å; I1223-Q1227 PolarHBondContact O-N 2.95Å
1224N30.2Very low29.2Very low91 Ų91103.8 Ų103.849%0.48754%0.538SS..Hα-helixtrans-78.621.4170.2-49.9-0.9000113.5N1220 D1228N1220-N1224 WeakPolarHBondContact O-CA 3.29Å; N1220-N1224 WeakPolarHBondContact O-CB 3.31Å; N1220-N1224 PolarHBondContact O-N 3.1Å; N1220-N1224 PolarHBondContact O-OD1 3.01Å; N1224-D1228 WeakPolarHBondContact O-CB 3.13Å
1225Q31.7Very low29.2Very low107 Ų107103.7 Ų103.750%0.554%0.536SS..Hα-helixtrans-123.2-23.3159.8-80.9173.736.800111.9D1221 I1222 I1223 Q1227D1221-Q1225 WeakPolarHBondContact O-CB 3.13Å; D1221-Q1225 WeakPolarHBondContact O-CG 3.43Å; D1221-Q1225 PolarHBondContact O-NE2 3.15Å; I1222-Q1225 PolarHBondContact O-N 3.46Å; I1222-Q1225 VanDerWaalsContact O-N 3.12Å; I1223-Q1225 PolarHBondContact O-N 3.35Å; I1223-Q1225 VanDerWaalsContact O-N 3.12Å; Q1225-Q1227 VanDerWaalsContact C-N 3.34Å
1226L26.4Very low29.1Very low149 Ų149103.9 Ų103.978%0.7853%0.534SS*.Hα-helixtrans-79.4-18165.9-71.5168.3000112.8I1222 I1223I1222-L1226 HydrophobicContact CG2-CD1 4.11Å; I1222-L1226 WeakPolarHBondContact O-CB 3.42Å; I1222-L1226 WeakPolarHBondContact O-CG 3.36Å; I1222-L1226 PolarHBondContact O-N 3.08Å; I1223-L1226 PolarHBondContact O-N 3.18Å
1227Q28Very low28.9Very low163 Ų163105.8 Ų105.876%0.76253%0.532SS*.SBendtrans-119.65.1-176.2-156.2162.2-0.200113.2I1223 Q1225I1223-Q1227 WeakPolarHBondContact O-CB 3.3Å; I1223-Q1227 PolarHBondContact O-N 2.95Å; Q1225-Q1227 VanDerWaalsContact C-N 3.34Å
1228D29Very low28.7Very low116 Ų116106.8 Ų106.862%0.6254%0.537SS*.SBendtrans-139.817.5-178.3-1532.6000113.1N1224N1224-D1228 WeakPolarHBondContact O-CB 3.13Å
1229Q29.2Very low28.6Very low129 Ų129107.7 Ų107.760%0.60355%0.549SS*.SBendtrans-133.4112.4161.8-87.9-154.5102.100110.5
1230L30.4Very low28.6Very low84 Ų84106.3 Ų106.344%0.4455%0.553SS.*  cis-127.2-174.5-7.6-53.390.5000107.1T951 Y952 V953T951-L1230 CarbonylContact O-C 3.49Å; Y952-L1230 WeakPolarHBondContact CB-O 3.21Å; V953-L1230 VanDerWaalsContact CB-O 3.31Å; V953-L1230 WeakPolarHBondContact CB-O 3.26Å; V953-L1230 HydrophobicContact CG2-CB 3.68Å; V953-L1230 HydrophobicContact CG2-CD1 3.95Å; V953-L1230 HydrophobicContact CG2-CG 4.43Å
1231S27Very low28.3Very low61 Ų61108.5 Ų108.543%0.42756%0.56SS.*  cis67.9100.514.157.80000121.7T951T951-S1231 PolarHBondContact O-N 2.9Å
1232P31.4Very low28.2Very low52 Ų52111.3 Ų111.334%0.33857%0.571SS.*  cis-121.80-26.533.7-7.5000122.6T951 Y952T951-P1232 HydrophobicContact CG2-CB 4.1Å; T951-P1232 WeakPolarHBondContact OG1-CA 3.23Å; T951-P1232 VanDerWaalsContact OG1-CB 3.23Å; T951-P1232 WeakPolarHBondContact OG1-CB 3.34Å; Y952-P1232 WeakPolarHBondContact CD1-O 3.44Å; Y952-P1232 HydrophobicContact CD2-CB 4.12Å; Y952-P1232 WeakPolarHBondContact CD2-O 3.29Å; Y952-P1232 WeakPolarHBondContact CE1-O 3.49Å; Y952-P1232 HydrophobicContact CE2-CB 4.31Å; Y952-P1232 HydrophobicContact CE2-CG 4.39Å; Y952-P1232 WeakPolarHBondContact CE2-O 3.26Å; Y952-P1232 HydrophobicContact CG-CB 4.27Å; Y952-P1232 PolarHBondContact OH-O 3.39Å
1233S25Very low28.6Very low44 Ų44110.6 Ų110.631%0.30857%0.571SS.*  0134057.60000132.5Y952Y952-S1233 WeakPolarHBondContact CE1-O 3.49Å; Y952-S1233 PolarHBondContact OH-O 3.41Å; Y952-S1233 PolarHBondContact OH-OG 3.26Å
1234V25.3Very low28.3Very low118 Ų118112.9 Ų112.972%0.71558%0.58SS**  trans79.2133138.6160.70000118.8
1235F25.4Very low28.1Very low157 Ų157115.5 Ų115.569%0.68959%0.589SS**  cis-161.4148.1-4.1-116.3-173.6000115
1236E25.3Very low27.9Very low125 Ų125116.7 Ų116.758%0.58460%0.598SS**  37.4141.7129.7-64-173.8-175.100124.1
1237K27.1Very low27.8Very low156 Ų156115.7 Ų115.768%0.67859%0.593SS**  trans76.7148.8141.1-79.8167.2173.5-77.10118.8
1238E25.3Very low27.8Very low142 Ų142116 Ų11666%0.66459%0.594SS**  cis-168.4156.6-13.7-137.9174141.300107.7
1239V26.3Very low27.9Very low117 Ų117114.9 Ų114.971%0.70960%0.596SS**  trans65102.1161.6178.20000115.7
1240V28Very low27.8Very low120 Ų120112.9 Ų112.973%0.72760%0.596SS**  98.1148.268.31540000113.5
1241E27.5Very low27.5Very low133 Ų133115.3 Ų115.362%0.62161%0.61SS**  trans91.3154.3169.4-81.5159.5154.300119.1I1355 N1356E1241-I1355 CarbonylContact C-O 3.46Å; E1241-I1355 HydrophobicContact CB-CB 4.39Å; E1241-I1355 HydrophobicContact CB-CG2 3.98Å; E1241-I1355 WeakPolarHBondContact CB-O 3Å; E1241-I1355 HydrophobicContact CG-CB 4.1Å; E1241-I1355 HydrophobicContact CG-CG2 3.88Å; E1241-I1355 WeakPolarHBondContact OE2-CG2 3.38Å; E1241-N1356 WeakPolarHBondContact CB-O 3.38Å
1242E31.1Very low27.5Very low122 Ų122118.8 Ų118.857%0.5762%0.623SS**  trans-93.1-154.5-159.9-120.6-165.3-154.300113.5H1354 I1355 N1356E1242-H1354 PolarHBondContact OE2-N 2.79Å; E1242-I1355 CarbonylContact C-O 3.31Å; E1242-I1355 WeakPolarHBondContact CA-O 3.5Å; E1242-I1355 WeakPolarHBondContact CB-O 3.22Å; E1242-I1355 PolarHBondContact N-O 2.86Å; E1242-I1355 CarbonylContact O-C 3.51Å; E1242-I1355 VanDerWaalsContact O-O 3.1Å; E1242-N1356 CarbonylContact O-C 3.4Å; E1242-N1356 WeakPolarHBondContact O-CA 3.23Å; E1242-N1356 PolarHBondContact O-N 2.83Å
1243P38.1Very low27.3Very low57 Ų57123.7 Ų123.737%0.3764%0.64SS.*  -124.6-163.6-65.640.8-24.2000113H1354P1243-H1354 HydrophobicContact CG-CB 4.38Å; P1243-H1354 WeakPolarHBondContact CG-ND1 3.43Å
1244H27.2Very low27.5Very low127 Ų127128.2 Ų128.259%0.58866%0.661SS**  trans85130.6166.3-98.5-106.7000120.4H1354H1244-H1354 AromaticContact CD2-CE1 3.35Å; H1244-H1354 PolarHBondContact CD2-CE1 2.9Å; H1244-H1354 AromaticContact CD2-NE2 3.55Å; H1244-H1354 AromaticContact CG-CE1 3.96Å; H1244-H1354 AromaticContact NE2-CE1 3.78Å; H1244-H1354 AromaticContact NE2-NE2 3.54Å
1245E25.7Very low27.5Very low147 Ų147128 Ų12869%0.68766%0.659SS**  trans62.1119.4149.5-79.4171.8-118.900124.1
1246L26.2Very low27.8Very low131 Ų131128.7 Ų128.769%0.68667%0.665SS**  63.2115.8129.1-65.9170.1000121.3
1247L25Very low27.8Very low128 Ų128131.1 Ų131.167%0.6768%0.676SS**  trans74.2130.4130.8-66.7173.8000120.3
1248Q27.9Very low27.9Very low169 Ų169132.9 Ų132.979%0.7968%0.684SS**  trans69.8153.1139.2-69.8170.316.600116.8
1249S31Very low28Very low94 Ų94131.6 Ų131.666%0.65769%0.686SS**  cis-154.9-170.1-18.750.50000107.2
1250S28Very low28.1Very low87 Ų87132.9 Ų132.961%0.60869%0.687SS**  173.9160.591.4-64.50000107.5
1251N23.6Very low28.1Very low135 Ų135129.4 Ų129.472%0.72268%0.676SS**  cis-152.4138.632.7-60.9-95.7000111.3
1252N26.3Very low28.1Very low133 Ų133128.8 Ų128.871%0.71167%0.673SS**  176.3130.196-95.4-44000115.3
1253F28.9Very low28Very low156 Ų156124.4 Ų124.468%0.68466%0.658SS**  trans54.697.7152.8-69.5-77.5000122.2
1254N27.7Very low27.7Very low139 Ų139125.8 Ų125.874%0.74366%0.659SS**  30.2147.294.5-61.3-17.9000118.2
1255T26.7Very low27.8Very low112 Ų112126.3 Ų126.369%0.68766%0.662SS**  cis-163.4171.329.6-23.20000112.4
1256E30.4Very low27.9Very low173 Ų173124.7 Ų124.781%0.80866%0.658SS**  trans71134.6161-67.2-178.1-15600118.3
1257Q26.3Very low27.9Very low176 Ų176126.2 Ų126.282%0.82266%0.661SS**  cis166.6152.7-27.4-111-17413.900106.4
1258K28.9Very low28Very low193 Ų193126.9 Ų126.984%0.83966%0.664SS**  trans97.8130.4147.2-154.5178.1-169.3163.60119.1
1259V26.9Very low28.1Very low115 Ų115126 Ų12670%0.69766%0.66SS**  cis170.7161-29.1136.10000108.3
1260I28Very low27.9Very low143 Ų143126.8 Ų126.873%0.73366%0.663SS**  trans76.3140.3-178.4-37.6-173.6000113.5
1261G28.4Very low27.7Very low48 Ų48129.8 Ų129.850%0.49567%0.665SS.*  cis120.1160.15.700000112.4K1464G1261-K1464 WeakPolarHBondContact CA-O 3.15Å
1262E28.5Very low27.8Very low119 Ų119130.4 Ų130.456%0.55667%0.667SS**  cis-164.3157.11.1-68.7-165.891.300107.9H1463 P1465E1262-H1463 WeakPolarHBondContact OE1-CB 3.43Å; E1262-P1465 CarbonylContact C-O 3.52Å; E1262-P1465 VanDerWaalsContact CA-O 3.29Å; E1262-P1465 WeakPolarHBondContact CA-O 3.38Å
1263A28.6Very low27.7Very low31 Ų31131.1 Ų131.126%0.25667%0.669SS.*  cis-169.9131.7-14.200000112.5K1464A1263-K1464 HydrophobicContact CB-CB 3.49Å; A1263-K1464 VanDerWaalsContact CB-CB 3.49Å; A1263-K1464 HydrophobicContact CB-CD 4.18Å; A1263-K1464 HydrophobicContact CB-CG 4.39Å
1264E30.8Very low27.6Very low85 Ų85130.2 Ų130.240%0.39767%0.671SS.*  trans59167.7166.3-61.5151.913700116.1K1464 P1465 I1466E1264-K1464 WeakPolarHBondContact OE1-CE 3.19Å; E1264-K1464 IonicContact OE1-NZ 2.7Å; E1264-K1464 PolarHBondContact OE1-NZ 2.98Å; E1264-K1464 WeakPolarHBondContact OE2-CD 2.98Å; E1264-K1464 VanDerWaalsContact OE2-CE 3.24Å; E1264-K1464 WeakPolarHBondContact OE2-CE 3.39Å; E1264-K1464 IonicContact OE2-NZ 2.64Å; E1264-K1464 PolarHBondContact OE2-NZ 2.71Å; E1264-P1465 HydrophobicContact CG-CG 4.23Å; E1264-I1466 VanDerWaalsContact O-CD1 3.22Å; E1264-I1466 WeakPolarHBondContact O-CD1 3.13Å; E1264-I1466 VanDerWaalsContact O-CG1 3.22Å; E1264-I1466 WeakPolarHBondContact O-CG1 3.12Å
1265E29.8Very low27.5Very low139 Ų139127.2 Ų127.265%0.6566%0.662SS**  -173.3148.951.9-94.5-164.3159.100113.2
1266N27.6Very low27.5Very low112 Ų112127.4 Ų127.460%0.59966%0.658SS**  trans67.8124.8135.1-61.5-21.3000124.7
1267E25.7Very low27.4Very low163 Ų163126.9 Ų126.976%0.76265%0.653SS**  94.4154.1120.2-82.7-179.2175.400124.8
1268I28.6Very low27.4Very low143 Ų143124.7 Ų124.773%0.73365%0.646SS**  trans85.4111.1155.3-67.8141.8000119.9
1269E29.1Very low27.5Very low149 Ų149123 Ų12370%0.69664%0.641SS**  trans-65.4146.3152.6-60.6-171.4130.900110.8K1271E1269-K1271 IonicContact OE2-NZ 2.67Å
1270P26.9Very low27.5Very low112 Ų112125.2 Ų125.273%0.72764%0.644SS**  -142.7144.9105.333.8-19000113
1271K25Very low27.6Very low150 Ų150124 Ų12465%0.65264%0.643SS**  69.698.755.4-83.5-174.7177.2152.60117.1E1269E1269-K1271 IonicContact OE2-NZ 2.67Å
1272I24Very low27.5Very low148 Ų148128.1 Ų128.176%0.75965%0.654SS**  trans71.8164.2137.1-42.7157.4000116.9
1273I25.2Very low27.4Very low147 Ų147129.1 Ų129.175%0.75466%0.661SS**  trans87.782.4167.3-49.5-176.8000113
1274D25.9Very low27.4Very low137 Ų137134.5 Ų134.573%0.73368%0.684SS**  86.6161.871.5177.155.8000113
1275S26.3Very low27.3Very low77 Ų77131.5 Ų131.554%0.53868%0.676SS.*  trans90.982156-87.60000119
1276N25.9Very low27.2Very low116 Ų116129.8 Ų129.862%0.6268%0.68SS**  90.2136.4102.4-93.8-73.3000119.3
1277K28.5Very low27.3Very low161 Ų161128.5 Ų128.570%0.768%0.679SS**  trans90.6123.3135-78.3165.3-172.71660121.5
1278I27.2Very low27.5Very low130 Ų130126.3 Ų126.367%0.66767%0.673SS**  82.7140.6124.1-71.8174.4000115.9
1279E30.4Very low27.6Very low157 Ų157127.9 Ų127.973%0.73468%0.675SS**  cis-13817414.2-145.9134.6-126.500113.6
1280E27.6Very low27.6Very low162 Ų162127 Ų12776%0.75767%0.674SS**  trans-32.7158.9167.9-50.1172.4157.400116.3
1281V28.7Very low27.5Very low118 Ų118127 Ų12772%0.71567%0.672SS**  -160.1138.952.7174.80000113.5
1282N26.9Very low27.5Very low135 Ų135127.5 Ų127.572%0.72268%0.677SS**  trans-26151.5160.5-44.7-83.9000119.4
1283I27.7Very low27.6Very low139 Ų139126.3 Ų126.371%0.71368%0.676SS**  -174.711799.6-93.3166.1000113.2
1284I27.6Very low27.5Very low145 Ų145127 Ų12774%0.74468%0.68SS**  trans41.4126.8139.6-47.4173.9000120.3
1285G29.5Very low27.5Very low22 Ų22124.7 Ų124.723%0.22767%0.672CS.*  trans-174.2-12159.600000119.6Y1484G1285-Y1484 VanDerWaalsContact CA-CE1 3.45Å; G1285-Y1484 WeakPolarHBondContact O-CE1 3.11Å; G1285-Y1484 PolarHBondContact O-OH 2.93Å
1286S27.1Very low27.3Very low103 Ų103128.6 Ų128.672%0.7269%0.686SS**  trans-44.2160.1-175.2-240000116.5Y1484S1286-Y1484 WeakPolarHBondContact CA-OH 3.41Å; S1286-Y1484 PolarHBondContact N-OH 2.95Å
1287S29.7Very low27.3Very low84 Ų84127.9 Ų127.959%0.58769%0.69SS**  cis-179.9-176.9-18.154.20000106.1
1288D30.7Very low27.2Very low118 Ų118125.4 Ų125.463%0.63169%0.685SS**  cis-126.4-171.91.7-45.3-74000107.9
1289F29.9Very low27.3Very low176 Ų176126.9 Ų126.977%0.77269%0.694SS**  cis-149.1149.55.7-95.9-65.8000105.1
1290L28.4Very low27.2Very low131 Ų131126 Ų12669%0.68669%0.688SS**  cis74.6118.126.5-56-179.4000113.4
1291T26Very low27.3Very low112 Ų112126 Ų12669%0.68769%0.693SS**  cis66.1138.835.4-250000109.3
1292E25.2Very low27.1Very low160 Ų160126.9 Ų126.975%0.74869%0.693SS**  cis-160.8-175.638.1-163.8136.4-123.700112.3
1293V25.1Very low27.2Very low122 Ų122127.7 Ų127.774%0.73970%0.697SS**  trans-54134170.4-172.70000110.9P1295V1293-P1295 VanDerWaalsContact O-CD 3.29Å; V1293-P1295 WeakPolarHBondContact O-CD 3.27Å
1294I24.1Very low27.2Very low163 Ų163128.6 Ų128.684%0.83670%0.698SS**  trans-102.7100.3160.5-60.4177.5000108
1295P24.5Very low27Very low87 Ų87130.6 Ų130.657%0.56570%0.701SS**  trans-84.6169.3161.737.4-33.4000110.4V1293V1293-P1295 VanDerWaalsContact O-CD 3.29Å; V1293-P1295 WeakPolarHBondContact O-CD 3.27Å
1296L23.5Very low26.7Very low159 Ų159135.5 Ų135.583%0.83272%0.722SS**  trans71.9113.1167.8-58.1174000118.9
1297S24.8Very low26.6Very low102 Ų102138 Ų13871%0.71372%0.723SS**  86.5128.2128.9-91.30000123.4
1298D25.9Very low26.7Very low109 Ų109138.8 Ų138.858%0.58373%0.726SS**  trans65.489.4137.5-66.950.7000118.5K1300D1298-K1300 IonicContact OD2-NZ 3.88Å; D1298-K1300 PolarHBondContact OD2-NZ 3.39Å; D1298-K1300 VanDerWaalsContact OD2-NZ 3.13Å
1299D29.1Very low26.4Very low160 Ų160142.6 Ų142.686%0.85673%0.733SS**  -137.4151.495.4-129.5-26.8000111.9
1300K28.3Very low26.1Very low140 Ų140139.1 Ų139.161%0.60973%0.73SS**  trans-78.6145.4-165-73.9139.5-172.4149.60112D1298D1298-K1300 IonicContact OD2-NZ 3.88Å; D1298-K1300 PolarHBondContact OD2-NZ 3.39Å; D1298-K1300 VanDerWaalsContact OD2-NZ 3.13Å
1301N29.8Very low26Very low161 Ų161143.2 Ų143.286%0.86174%0.738SS**  -142.8153.258.6-69.1-53.8000115.6
1302N26.1Very low26Very low136 Ų136143.8 Ų143.873%0.72774%0.741SS**  trans-67.5164.4177.2-61.7-17.7000111.9
1303L27.5Very low26.2Very low153 Ų153140.8 Ų140.880%0.80174%0.736SS**  cis-152.7145.446.3-140.8103.6000114.8
1304H27.7Very low26.3Very low157 Ų157142.3 Ų142.373%0.72774%0.735SS**  trans8.9131156-76.3-117.9000120.2
1305F23.7Very low26.3Very low187 Ų187139.3 Ų139.382%0.8272%0.72SS**  57.6150.859.1-77.2-98000115.3
1306N23.4Very low26.4Very low125 Ų125142.8 Ų142.867%0.66873%0.729SS**  cis170.6123.7-43.2-120.615.4000107
1307Q24.2Very low26.5Very low157 Ų157139.1 Ų139.173%0.73472%0.717SS**  trans61.2-173.8154.1-60.1-173.8-37.700117.5
1308P32.3Very low26.6Very low100 Ų100140.7 Ų140.765%0.64972%0.716SS**  -136.6-179.9-72.842.5-28000116.3
1309Y24.3Very low26.7Very low197 Ų197142.6 Ų142.677%0.77372%0.721SS**  trans63.3126.3161.3-78.3-77.8000121.1
1310S24.1Very low26.6Very low103 Ų103140.5 Ų140.572%0.7271%0.71SS**  146.6142.1113.7-160.70000115.7
1311Y26Very low26.7Very low217 Ų217139 Ų13985%0.85171%0.709SS**  trans55.789.2158.3-97.3-106.3000122.1
1312V26.8Very low26.7Very low124 Ų124137 Ų13775%0.75270%0.698SS**  -19.4140.8119.8161.20000112.9
1313P29.8Very low26.9Very low98 Ų98136.6 Ų136.664%0.63670%0.696SS**  -144.7174.553.129.4-5000120.1
1314E25.8Very low27.1Very low153 Ų153134.4 Ų134.472%0.71569%0.685SS**  trans93.4126137.9-94.5176.4-111.800121.5
1315N25.3Very low27.2Very low100 Ų100132.1 Ų132.154%0.53568%0.678SS.*  trans76.8110.3138.3-63.3-17.5000119.2
1316H26.7Very low27.6Very low161 Ų161128.4 Ų128.475%0.74567%0.667SS**  63.8127.5113.3-62-43.4000117.9
1317S25.3Very low27.9Very low82 Ų82127.9 Ų127.957%0.57366%0.664SS**  cis-172.6165.34.2-126.80000111.5
1318L26.8Very low28.3Very low135 Ų135125.2 Ų125.271%0.70766%0.655SS**  trans70.1128.1156.5-63.4165000112.5
1319Q26.9Very low28.1Very low148 Ų148129.3 Ų129.369%0.69266%0.659SS**  63.1107.260-160.4171.610.700107.4
1320N27.6Very low28.4Very low116 Ų116126.1 Ų126.162%0.6266%0.655SS**  cis179.6-147.57.2-136.425.9000109.3
1321D29.8Very low28.6Very low109 Ų109128.5 Ų128.558%0.58366%0.655SS**  51133.7125-62.32.3000118.6
1322D30.3Very low28.7Very low118 Ų118124.7 Ų124.763%0.63165%0.649SS**  cis-144.7148.48.5-105.3-13.4000107.9
1323D31.5Very low28.7Very low129 Ų129124.2 Ų124.269%0.6965%0.646SS**  54.4136.680.2-74.78.9000110.8
1324D31.2Very low28.6Very low106 Ų106129.5 Ų129.557%0.56766%0.659SS**  cis-165.3-176.717.8-142.2-15.7000112.3
1325N30.4Very low28.6Very low109 Ų109127.3 Ų127.358%0.58366%0.661SS**  trans57.1135.1136.3-68.8-24.2000120.1
1326D32.1Very low28.5Very low109 Ų109127.2 Ų127.258%0.58367%0.668SS**  cis-166.9174.85.8-134.2-11.9000116.1
1327N29.9Very low28.4Very low115 Ų115130.4 Ų130.462%0.61567%0.673SS**  17.3138.7130-66-28.5000117.9
1328D31.1Very low28.4Very low100 Ų100131 Ų13154%0.53567%0.674SS.*  cis-170-18015.4-133.8-35.3000112.3
1329Y29.6Very low28.3Very low187 Ų187131.7 Ų131.773%0.73368%0.678SS**  trans42.2138.8150.4-62.8-55.7000120.3
1330D29.5Very low28.3Very low130 Ų130131.1 Ų131.170%0.69568%0.684SS**  cis-162.4172.912.3-139.2-28.4000113.7
1331E29.2Very low28.1Very low153 Ų153130.9 Ų130.972%0.71569%0.687SS**  trans32.3107.4142.3-110.5-168.5-170.300120.5
1332L27.9Very low27.8Very low137 Ų137134.1 Ų134.172%0.71770%0.696SS**  167.8105.799.7-90.5159.3000115.4
1333T25.9Very low27.5Very low114 Ų114132.2 Ų132.270%0.69970%0.696SS**  trans21.5113.9141.461.80000120
1334K27.4Very low27.2Very low208 Ų208132.2 Ų132.290%0.90470%0.701SS**  trans-167.1143.4136.2-107.1143.6-165.1160.10115.4
1335S26.8Very low26.9Very low108 Ų108130.2 Ų130.276%0.75569%0.69SS**  trans61.6113.7158.5-155.60000119.9
1336S22.9Very low26.7Very low98 Ų98130.3 Ų130.369%0.68569%0.691SS**  trans-45.8159.4149.755.50000115.2
1337R25.2Very low26.4Very low227 Ų227133.7 Ų133.786%0.85770%0.703SS**  trans71.4146.8162.8-85.1-178.3149.7116.4-1115.3
1338T24.4Very low26.2Very low96 Ų96132.9 Ų132.959%0.58970%0.704SS**  cis-152.5156.814.3-6.90000112
1339D24.2Very low25.9Very low148 Ų148133 Ų13379%0.79171%0.708SS**  trans56.2129144.5-56-18.8000122.9
1340V27.2Very low25.5Very low136 Ų136133.4 Ų133.482%0.82471%0.71SS**  trans-52.3130.2155.2172.70000111.7
1341V23.7Very low25.2Very low112 Ų112132.9 Ų132.968%0.67971%0.707SS**  trans-162.3124.9140.3129.40000107.5
1342K23.9Very low25.1Very low177 Ų177132.2 Ų132.277%0.7770%0.704SS**  42.3147.7102.5-31174.7-169.1174.40114.5
1343A23.4Very low24.8Very low77 Ų77130.4 Ų130.464%0.63670%0.699SS**  cis-167.3155.510.100000111
1344V25.1Very low24.8Very low129 Ų129128.7 Ų128.778%0.78268%0.682SS**  trans68.9169.2137.5173.80000116
1345D25.2Very low24.6Very low65 Ų65122 Ų12235%0.34866%0.656SS.*  trans65.4123.3-172.2-53.7-21.1000114.3S867S867-D1345 WeakPolarHBondContact CA-OD2 3.44Å; S867-D1345 WeakPolarHBondContact CB-OD2 3.12Å; S867-D1345 PolarHBondContact N-OD2 2.88Å
1346N26.2Very low24.4Very low110 Ų110120.8 Ų120.859%0.58864%0.641SS**  cis-147.4134.3-1-99.6-32.2000112.4
1347E25.2Very low24.4Very low180 Ų180122.3 Ų122.384%0.84164%0.641SS**  trans56.9161.3139.4-68.8-100.6100.200120.9
1348P27.3Very low24.3Very low98 Ų98118.1 Ų118.164%0.63663%0.634SS**  trans-120.2-146.9-163.736.4-16.2000111.5
1349V22.8Very low24.3Very low103 Ų103118.6 Ų118.662%0.62464%0.637SS**  trans76.8112.3150.2154.30000117.1
1350Y22.8Very low24.4Very low196 Ų196117.4 Ų117.477%0.76963%0.631SS**  trans73154.2146.1-68.6-164000116.4
1351N23.1Very low24.4Very low119 Ų119118 Ų11864%0.63662%0.624SS**  cis-153.3149.9-9.9-115.75.3000108.7
1352Q26.1Very low24.5Very low138 Ų138118.8 Ų118.865%0.64562%0.62SS**  41.29094.2-165.482.116.600114.6
1353T22.6Very low24.5Very low100 Ų100115.1 Ų115.161%0.61361%0.613SS**  trans-169.5114.3131.823.90000108.7
1354H25.6Very low24.5Very low77 Ų77115 Ų11536%0.35660%0.597SS.*  41.178.474.9-84.8-73.6000114.8E1242 P1243 H1244E1242-H1354 PolarHBondContact OE2-N 2.79Å; P1243-H1354 HydrophobicContact CG-CB 4.38Å; P1243-H1354 WeakPolarHBondContact CG-ND1 3.43Å; H1244-H1354 AromaticContact CD2-CE1 3.35Å; H1244-H1354 PolarHBondContact CD2-CE1 2.9Å; H1244-H1354 AromaticContact CD2-NE2 3.55Å; H1244-H1354 AromaticContact CG-CE1 3.96Å; H1244-H1354 AromaticContact NE2-CE1 3.78Å; H1244-H1354 AromaticContact NE2-NE2 3.54Å
1355I23Very low24.5Very low67 Ų67114.5 Ų114.534%0.34459%0.589SS.*  trans-138.2111.9136.3-74.6104.6000101.5E1241 E1242E1241-I1355 CarbonylContact C-O 3.46Å; E1241-I1355 HydrophobicContact CB-CB 4.39Å; E1241-I1355 HydrophobicContact CB-CG2 3.98Å; E1241-I1355 WeakPolarHBondContact CB-O 3Å; E1241-I1355 HydrophobicContact CG-CB 4.1Å; E1241-I1355 HydrophobicContact CG-CG2 3.88Å; E1241-I1355 WeakPolarHBondContact OE2-CG2 3.38Å; E1242-I1355 CarbonylContact C-O 3.31Å; E1242-I1355 WeakPolarHBondContact CA-O 3.5Å; E1242-I1355 WeakPolarHBondContact CB-O 3.22Å; E1242-I1355 PolarHBondContact N-O 2.86Å; E1242-I1355 CarbonylContact O-C 3.51Å; E1242-I1355 VanDerWaalsContact O-O 3.1Å
1356N22.5Very low24.4Very low84 Ų84114.8 Ų114.845%0.44959%0.593SS.*  66.6143.387.9-61.7-49.3000111.8E1241 E1242E1241-N1356 WeakPolarHBondContact CB-O 3.38Å; E1242-N1356 CarbonylContact O-C 3.4Å; E1242-N1356 WeakPolarHBondContact O-CA 3.23Å; E1242-N1356 PolarHBondContact O-N 2.83Å
1357L22Very low24.4Very low130 Ų130118.2 Ų118.268%0.68161%0.605SS**  cis-177.8-161.68-117.6172.1000106.5
1358I24.6Very low24.4Very low138 Ų138112.4 Ų112.471%0.70859%0.594SS**  trans58.9107.6143.2-74.5152.6000114.2
1359T24.7Very low24.3Very low106 Ų106113.7 Ų113.765%0.6560%0.6SS**  cis166.3163.931.523.80000103.8
1360D26.3Very low24.5Very low124 Ų124112.5 Ų112.566%0.66359%0.587SS**  cis-159170.75.2-119.6-22.8000110.1
1361E25.8Very low24.7Very low147 Ų147107.6 Ų107.669%0.68757%0.574SS**  4.4142.1128.9-59.9-173.9160.500118.2
1362Q25.5Very low24.9Very low129 Ų129105.1 Ų105.160%0.60356%0.558SS**  cis-161.1137.814.3-104.6142.428.100108.6
1363T24.2Very low24.9Very low101 Ų101104.1 Ų104.162%0.6255%0.552SS**  72.3149.690.4-41.10000117.1
1364Y24.1Very low25.1Very low74 Ų74106.9 Ų106.929%0.2956%0.558SS.*  trans90.7115.5170.5-57.2-71.7000117.2E1454 N1456Y1364-E1454 HydrophobicContact CD1-CB 4.33Å; Y1364-E1454 HydrophobicContact CD1-CG 4.4Å; Y1364-E1454 HydrophobicContact CD2-CB 4.34Å; Y1364-E1454 HydrophobicContact CD2-CG 3.74Å; Y1364-E1454 HydrophobicContact CE1-CB 4.46Å; Y1364-E1454 HydrophobicContact CE1-CG 4.25Å; Y1364-E1454 HydrophobicContact CE2-CB 4.45Å; Y1364-E1454 HydrophobicContact CE2-CG 3.55Å; Y1364-E1454 HydrophobicContact CG-CB 4.3Å; Y1364-E1454 HydrophobicContact CG-CG 4.19Å; Y1364-N1456 PolarHBondContact OH-N 3.04Å; Y1364-N1456 PolarHBondContact OH-OD1 2.72Å
1365L24.4Very low25.1Very low119 Ų119110.2 Ų110.262%0.62357%0.573SS**  75.6140.268-9378000113.5
1366T24.1Very low25.2Very low70 Ų70114.1 Ų114.143%0.42959%0.59SS.*  cis-175.5163.8-15.114.20000108
1367H25.7Very low25.4Very low183 Ų183114.9 Ų114.985%0.84760%0.597SS**  trans64.8160.9170.2-49.9-63.7000115
1368G26Very low25.5Very low58 Ų58113.9 Ų113.960%0.59860%0.597SS**  cis141.2129.4-13.200000113.9
1369T25.1Very low25.6Very low125 Ų125113.1 Ų113.177%0.76759%0.594SS**  trans62.1136.4160.761.90000120.5
1370K26.7Very low25.7Very low78 Ų78114.2 Ų114.234%0.33960%0.595SS.*  trans66.9174.1138.6-74.5179.7149.3-66.50116.7Q1444 P1447 D1448K1370-Q1444 WeakPolarHBondContact CE-O 3.41Å; K1370-Q1444 PolarHBondContact NZ-O 2.94Å; K1370-P1447 CarbonylContact C-O 3.54Å; K1370-P1447 CarbonylContact O-C 3.32Å; K1370-P1447 VanDerWaalsContact O-C 3.3Å; K1370-D1448 CarbonylContact O-C 3.57Å; K1370-D1448 PolarHBondContact O-N 2.98Å; K1370-D1448 VanDerWaalsContact O-O 3.05Å
1371D26.5Very low25.8Very low93 Ų93113.9 Ų113.950%0.49759%0.594SS.*  cis-154.2137.1-19.9-106.1-20.7000104.8C1445 P1447D1371-C1445 VanDerWaalsContact OD1-O 3.06Å; D1371-P1447 CarbonylContact C-O 3.57Å; D1371-P1447 WeakPolarHBondContact CA-O 3.45Å; D1371-P1447 PolarHBondContact N-O 3.23Å; D1371-P1447 VanDerWaalsContact N-O 3.08Å
1372E27.2Very low25.9Very low66 Ų66112.1 Ų112.131%0.30859%0.589SS.*  cis-174172.7-3.9-150.5-162.5144.700108.8C1445 L1446E1372-C1445 VanDerWaalsContact CD-CB 3.49Å; E1372-C1445 HydrophobicContact CG-CB 4.02Å; E1372-C1445 WeakPolarHBondContact OE1-CB 3.45Å; E1372-L1446 HydrophobicContact CG-CB 3.62Å
1373K26.6Very low26Very low118 Ų118113.5 Ų113.551%0.51360%0.599SS.*  trans77.9148.5155.4-70.8169.8164.274.90119.3
1374E26.8Very low26.2Very low158 Ų158113.8 Ų113.874%0.73859%0.593SS**  53.2145.6101.1-42.3172.6124.300114.1
1375E26.3Very low26.4Very low147 Ų147118.7 Ų118.769%0.68761%0.612SS**  cis-163.4135.941.5-142.9-167.6174.300111.9
1376Q25Very low26.5Very low149 Ų149122.1 Ų122.170%0.69662%0.617SS**  trans66.8163.4134.9-99.9177.263.700123.8
1377V25.8Very low26.6Very low99 Ų99123.4 Ų123.460%0.662%0.621SS**  trans80.297.4140.2157.10000118.2
1378T25.2Very low26.9Very low109 Ų109121.3 Ų121.367%0.66962%0.617SS**  trans80.5148.3133.767.70000118.1
1379N25.8Very low26.9Very low122 Ų122124.2 Ų124.265%0.65262%0.622SS**  cis-161.6179.70.2-122.9-19.7000111.3
1380L27.3Very low27.1Very low129 Ų129125.2 Ų125.268%0.67562%0.622SS**  trans28.9126.8137.1-53.9162.6000117.2
1381D27.9Very low27.1Very low117 Ų117127 Ų12763%0.62664%0.635SS**  cis-166.8165.226.7-125.9-6.2000114.2
1382N27.3Very low27.2Very low111 Ų111130.1 Ų130.159%0.59465%0.646SS**  trans-2.3140.2142.6-44.9-47.5000115.8
1383I28.5Very low27.1Very low158 Ų158131.6 Ų131.681%0.8166%0.663SS**  179.3146.889.7-94178.8000107.9
1384Q27.6Very low27Very low107 Ų107134.4 Ų134.450%0.568%0.676SS.*  cis-179.9122.2-10-175.681.6-6.400109.3
1385Y28.5Very low26.9Very low176 Ų176135 Ų13569%0.6968%0.679SS**  trans69.9162.4153.4-65.5-173.3000117.3
1386R27.1Very low27.2Very low191 Ų191132.9 Ų132.972%0.72168%0.678SS**  cis-158.915219.2-151.7155.1179.2164.40.6117.9
1387D26.3Very low27.1Very low97 Ų97136 Ų13652%0.51969%0.685SS.*  trans15.3146.7148.9-48.71.3000120.6
1388D30.6Very low27.2Very low140 Ų140136.9 Ų136.975%0.74969%0.686SS**  cis-125.8153.8-0.5-82.6-57.1000108.6
1389V27.8Very low27.3Very low119 Ų119139.9 Ų139.972%0.72170%0.696SS**  cis86.1148.329.5-177.60000113.7
1390I27.7Very low27.4Very low146 Ų146140.2 Ų140.275%0.74969%0.694SS**  trans85.1119.4-169.4-55.1176.7000112.6
1391D27.9Very low27.5Very low116 Ų116138.2 Ų138.262%0.6269%0.687SS**  cis-153.8177.3-5.2-126.1-16.7000113.9
1392H28.9Very low27.4Very low158 Ų158139.9 Ų139.973%0.73169%0.691SS**  trans5.8146.9150.8-57.3-12.1000121.3
1393S24.8Very low27.4Very low96 Ų96138.7 Ų138.767%0.67170%0.697SS**  cis-179149.8-7.851.90000111.5
1394F24.2Very low27.4Very low177 Ų177136.9 Ų136.978%0.77668%0.684SS**  trans44.1106.5143.2-82.3-96.1000120.9
1395Q25Very low27.4Very low172 Ų172138 Ų13880%0.80469%0.693SS**  74.7157.4124.9-85.6-166.7-36.100120.3
1396P31.4Very low27.5Very low102 Ų102135.2 Ų135.266%0.66269%0.69SS**  trans-90.1175.7-166.238.6-38.4000112.6
1397Y23.7Very low27.6Very low214 Ų214133.6 Ų133.684%0.83969%0.691SS**  -168.9166117.4-115.3-82.1000111.6
1398N28.1Very low27.9Very low118 Ų118137 Ų13763%0.63170%0.704SS**  trans-65.7152.1179.4-68.3-32.5000114.2Q1400N1398-Q1400 HydrophobicContact CB-CB 4.07Å
1399I26Very low27.7Very low172 Ų172137.6 Ų137.688%0.88271%0.707SS**  trans-137.1101.4144.6-55179.1000104.9
1400Q27.9Very low27.8Very low128 Ų128141.3 Ų141.360%0.59872%0.716SS**  cis84.813525.2-164.2168.9-13.600115.7N1398N1398-Q1400 HydrophobicContact CB-CB 4.07Å
1401T29.9Very low27.7Very low88 Ų88143.2 Ų143.254%0.5472%0.722SS.*  trans67.1155.8166.136.10000117.1
1402H27.1Very low27.7Very low151 Ų151145.5 Ų145.570%0.69973%0.729SS**SBendcis-120162.813.8-63.3-96.9000111.4H1404H1402-H1404 AromaticContact CE1-NE2 3.74Å; H1402-H1404 AromaticContact ND1-CD2 3.54Å; H1402-H1404 AromaticContact ND1-CE1 3.97Å; H1402-H1404 AromaticContact ND1-NE2 3.14Å; H1402-H1404 PolarHBondContact ND1-NE2 2.86Å; H1402-H1404 VanDerWaalsContact ND1-NE2 3.14Å
1403A26.8Very low27.5Very low87 Ų87143.5 Ų143.572%0.71972%0.724SS**SBendcis-158.2162.715.200000109.8
1404H27.3Very low27.6Very low119 Ų119145.2 Ų145.255%0.55173%0.725SS**  cis-172.1144.6-18.9-130.6-46.8000109.2H1402H1402-H1404 AromaticContact CE1-NE2 3.74Å; H1402-H1404 AromaticContact ND1-CD2 3.54Å; H1402-H1404 AromaticContact ND1-CE1 3.97Å; H1402-H1404 AromaticContact ND1-NE2 3.14Å; H1402-H1404 PolarHBondContact ND1-NE2 2.86Å; H1402-H1404 VanDerWaalsContact ND1-NE2 3.14Å
1405L29Very low27.6Very low130 Ų130143 Ų14368%0.68172%0.717SS**  trans66.7149.4156.6-52.2-176.9000116.9
1406D29.8Very low27.6Very low119 Ų119142.1 Ų142.164%0.63671%0.71SS**  cis-164.1166.5-12.3-94.5-17.1000106.4
1407E29.8Very low27.2Very low157 Ų157141.6 Ų141.673%0.73471%0.709SS**  cis-171.3-175.3-28.9-168.9164.9-134.700104.8
1408E32.4Very low27.2Very low169 Ų169136.8 Ų136.879%0.7971%0.707SS**  trans64.695168.5-52.4-172.1152.300115.4
1409N26Very low27.2Very low152 Ų152136.1 Ų136.181%0.81371%0.709SS**  45.7127.369.8-61.9-29.9000114.8
1410E30.5Very low27.1Very low196 Ų196135.7 Ų135.792%0.91670%0.703SS**  -161.216691.3-102.2-174.7172.900111.6
1411E25.7Very low27Very low186 Ų186135.8 Ų135.887%0.86971%0.707SS**  trans-86.5-148.1-178-55.9177.998.600111.6
1412E27.1Very low26.7Very low164 Ų164138.1 Ų138.177%0.76672%0.715SS**  trans76.397160.9-65.5-125134.100118.8
1413N25.2Very low26.6Very low117 Ų117135.8 Ų135.863%0.62671%0.712SS**  87.5155.2113.4-78-39.1000121.8
1414L26.5Very low26.7Very low131 Ų131139 Ų13969%0.68671%0.71SS**  trans64.2103.8153.8-95.975.2000118.8
1415E24.5Very low26.7Very low131 Ų131140.7 Ų140.761%0.61271%0.713SS**  68.1141118.4-72.1-171.1135.500121.5
1416K25.7Very low26.8Very low153 Ų153138.5 Ų138.567%0.66570%0.699SS**  trans6791.4144.9-68.6158.7-164.7154.40116.4
1417S23Very low26.7Very low92 Ų92138.5 Ų138.564%0.64370%0.695SS**  89.8118.370.865.70000114.2
1418S23.9Very low26.8Very low112 Ų112132.6 Ų132.678%0.78367%0.669SS**  trans64.6176.1155.8-51.70000114.9
1419P28.1Very low26.6Very low105 Ų105134.5 Ų134.568%0.68267%0.67SS**  cis-93162.5-183.720.8000110.6
1420E23.6Very low26.9Very low163 Ų163131.1 Ų131.176%0.76265%0.651SS**  62.8149.155-155.2-165.4-112.400111.8
1421L25.3Very low26.7Very low130 Ų130126.6 Ų126.668%0.68164%0.642SS**  trans74.1133.6169.8-46.5179.8000116.8
1422L24Very low27Very low136 Ų136124 Ų12471%0.71263%0.627SS**  cis-171.6168.2-15-156.561.9000109.4
1423T25.1Very low27.2Very low103 Ų103118.4 Ų118.463%0.63261%0.606SS**  trans70.5139.3156.560.80000118.5
1424K28.8Very low27.5Very low153 Ų153118.2 Ų118.267%0.66560%0.604SS**  cis-169.4152.62.2-119.4168.7-175.5-179.70113.1
1425Y27.3Very low27.8Very low156 Ų156116.1 Ų116.161%0.61259%0.589SS**  trans51.5114155.1-61.5-54.3000117.9
1426E29.5Very low27.9Very low84 Ų84114.2 Ų114.239%0.39358%0.583SS.*  cis83.3139.225.9-46.4170.112400116.5Q984 E985 T986Q984-E1426 HydrophobicContact CB-CB 3.52Å; Q984-E1426 HydrophobicContact CB-CG 3.57Å; Q984-E1426 HydrophobicContact CG-CB 4.14Å; E985-E1426 WeakPolarHBondContact O-CA 3.32Å; E985-E1426 PolarHBondContact O-N 3.12Å; T986-E1426 PolarHBondContact OG1-N 3.07Å
1427E29.4Very low28.1Very low118 Ų118111 Ų11155%0.55158%0.579SS**  trans90.1137.1157.4-62.7-142.811100121Q984 T986Q984-E1427 HydrophobicContact CG-CG 4.04Å; Q984-E1427 PolarHBondContact NE2-OE1 3.12Å; T986-E1427 WeakPolarHBondContact CG2-O 3.21Å
1428N31Very low28.5Very low34 Ų34113.7 Ų113.718%0.18258%0.576CS.*  cis-179.7163.2-24.5-132.715.9000109.6Q984 E985Q984-N1428 WeakPolarHBondContact CG-OD1 3.45Å; Q984-N1428 PolarHBondContact NE2-ND2 3.01Å; E985-N1428 VanDerWaalsContact OE2-CA 3.29Å; E985-N1428 WeakPolarHBondContact OE2-CA 3.49Å; E985-N1428 PolarHBondContact OE2-N 2.88Å
1429Y28.5Very low28.8Very low209 Ų209113.7 Ų113.782%0.8256%0.564SS**  169106122.1-95.9-67.5000110.4E985E985-Y1429 PolarHBondContact OE1-N 3.49Å
1430L31.8Very low28.8Very low81 Ų81114.3 Ų114.342%0.42456%0.558SS.*  cis86.7112.935.4-160.785.6000115.5K1432L1430-K1432 HydrophobicContact CD2-CD 4.34Å; L1430-K1432 HydrophobicContact CG-CD 4.45Å
1431S26.6Very low29Very low101 Ų101114 Ų11471%0.70655%0.554SS**  171.7120.9119.5-76.50000111.3
1432K31.4Very low29.2Very low132 Ų132114.7 Ų114.757%0.57455%0.553SS**  98.9145.956.6-89.1176.7175.4176.20112.1L1430 Q1778L1430-K1432 HydrophobicContact CD2-CD 4.34Å; L1430-K1432 HydrophobicContact CG-CD 4.45Å; K1432-Q1778 PolarHBondContact O-OE1 3.15Å
1433S31.1Very low29.3Very low46 Ų46115 Ų11532%0.32255%0.551SS.*  cis-160.8137.30.3-155.80000109.6Q1778S1433-Q1778 PolarHBondContact O-OE1 2.62Å
1434I31.7Very low29.4Very low113 Ų113117 Ų11758%0.57955%0.554SS**  cis78.7129.133.4-51.8165.1000113.6
1435K32.6Very low29.1Very low87 Ų87112.4 Ų112.438%0.37854%0.54SS..  trans104.6147.1175.8-76.6156.2-179.2153.10116.3E982E982-K1435 IonicContact OE1-NZ 2.7Å; E982-K1435 PolarHBondContact OE1-NZ 2.93Å; E982-K1435 WeakPolarHBondContact OE2-CE 3.39Å; E982-K1435 IonicContact OE2-NZ 2.81Å; E982-K1435 PolarHBondContact OE2-NZ 2.91Å
1436N28.5Very low29Very low91 Ų91110.9 Ų110.949%0.48754%0.541SS..  cis-154171.814.8-139.4-12.9000115.8Y1438N1436-Y1438 WeakPolarHBondContact ND2-CE2 3.42Å; N1436-Y1438 WeakPolarHBondContact OD1-CE2 3.45Å
1437C28.1Very low29.2Very low86 Ų86109.3 Ų109.358%0.58154%0.539SS*.  trans-148130.5169.9-1620000112.3Y979Y979-C1437 PolarHBondContact OH-O 3.38Å
1438Y32.4Very low29Very low147 Ų147109.2 Ų109.258%0.57654%0.542SS*.  trans-157.7151.2-169.9-92.6-102000109.7N1436N1436-Y1438 WeakPolarHBondContact ND2-CE2 3.42Å; N1436-Y1438 WeakPolarHBondContact OD1-CE2 3.45Å
1439E29.3Very low28.8Very low112 Ų112115.5 Ų115.552%0.52357%0.57SS.*  cis-167.1170.3-19-128.1-155.9133.300111.7
1440Q28Very low28.7Very low118 Ų118113.2 Ų113.255%0.55157%0.567SS**  trans54.2113.9148.8-72.2-176.637.500124.4
1441K29.3Very low28.4Very low157 Ų157114.4 Ų114.468%0.68358%0.578SS**  101.2131.2112-77.8179.4-176.7156.50123.9
1442H28.6Very low28.4Very low144 Ų144117.1 Ų117.167%0.66758%0.579SS**  trans82.3124.1143.4-83.1-116.5000122.7
1443E27.3Very low28.2Very low144 Ų144117.6 Ų117.667%0.67359%0.586SS**  trans75119.8137.7-72.8163.3-162.200122.5
1444Q25.3Very low28.1Very low145 Ų145120.1 Ų120.168%0.67859%0.593SS**  44.2135.5127.5-58.9174.4-22.100119.5K1370K1370-Q1444 WeakPolarHBondContact CE-O 3.41Å; K1370-Q1444 PolarHBondContact NZ-O 2.94Å
1445C23.7Very low27.9Very low56 Ų56121.1 Ų121.138%0.37860%0.597SS.*  cis179.6156.71.6-102.60000105.4D1371 E1372D1371-C1445 VanDerWaalsContact OD1-O 3.06Å; E1372-C1445 VanDerWaalsContact CD-CB 3.49Å; E1372-C1445 HydrophobicContact CG-CB 4.02Å; E1372-C1445 WeakPolarHBondContact OE1-CB 3.45Å
1446L25.3Very low27.7Very low123 Ų123120.6 Ų120.664%0.64460%0.598SS**  trans44.4-176.9145.7-82.1170.3000120.3E1372E1372-L1446 HydrophobicContact CG-CB 3.62Å
1447P34.2Very low27.6Very low52 Ų52125.3 Ų125.334%0.33861%0.611SS.*  trans-119.5-179.7-144.646.2-39.1000117.2K1370 D1371K1370-P1447 CarbonylContact C-O 3.54Å; K1370-P1447 CarbonylContact O-C 3.32Å; K1370-P1447 VanDerWaalsContact O-C 3.3Å; D1371-P1447 CarbonylContact C-O 3.57Å; D1371-P1447 WeakPolarHBondContact CA-O 3.45Å; D1371-P1447 PolarHBondContact N-O 3.23Å; D1371-P1447 VanDerWaalsContact N-O 3.08Å
1448D24.7Very low27.7Very low115 Ų115127.6 Ų127.662%0.61562%0.616SS**  trans123.3108145.8-68.8-19.2000120.1K1370K1370-D1448 CarbonylContact O-C 3.57Å; K1370-D1448 PolarHBondContact O-N 2.98Å; K1370-D1448 VanDerWaalsContact O-O 3.05Å
1449Q26.1Very low27.5Very low167 Ų167127.8 Ų127.878%0.7862%0.623SS**  trans67.6139.4135.8-67.3-168.6-9.400123.4
1450E26.5Very low27.4Very low161 Ų161128.4 Ų128.475%0.75263%0.629SS**  trans82.4125.1139-85.1-164.2160.900123.6
1451T25.6Very low27.4Very low106 Ų106127.8 Ų127.865%0.6563%0.629SS**  trans85.392.9137.859.30000122
1452H27.8Very low27.3Very low158 Ų158126.8 Ų126.873%0.73163%0.627SS**  68.2158.4108.3-91.4-63.1000122.9
1453I26.8Very low27.3Very low142 Ų142125.3 Ų125.373%0.72862%0.62SS**  trans91.782.3162.2-60.8139.4000117
1454E28.2Very low27.3Very low99 Ų99122.8 Ų122.846%0.46361%0.607SS.*  49.2114.998.1-153.1-173.4-117.300119.3Y1364Y1364-E1454 HydrophobicContact CD1-CB 4.33Å; Y1364-E1454 HydrophobicContact CD1-CG 4.4Å; Y1364-E1454 HydrophobicContact CD2-CB 4.34Å; Y1364-E1454 HydrophobicContact CD2-CG 3.74Å; Y1364-E1454 HydrophobicContact CE1-CB 4.46Å; Y1364-E1454 HydrophobicContact CE1-CG 4.25Å; Y1364-E1454 HydrophobicContact CE2-CB 4.45Å; Y1364-E1454 HydrophobicContact CE2-CG 3.55Å; Y1364-E1454 HydrophobicContact CG-CB 4.3Å; Y1364-E1454 HydrophobicContact CG-CG 4.19Å
1455M27.3Very low27.8Very low134 Ų134119.7 Ų119.766%0.6660%0.599SS**  166.7116111.2-91.5-159.4-77.400115.2
1456N27.7Very low28Very low76 Ų76121.2 Ų121.241%0.40660%0.603SS.*  56.7124.8126.3-54.4-29.3000120.7Y1364Y1364-N1456 PolarHBondContact OH-N 3.04Å; Y1364-N1456 PolarHBondContact OH-OD1 2.72Å
1457Y28.1Very low28.1Very low190 Ų190121.9 Ų121.975%0.74560%0.603SS**  161.5139.693.4-92.5-54.3000115.3
1458L29.9Very low27.8Very low134 Ų134127 Ų12770%0.70262%0.622SS**  trans65148.6139.6-62169.4000120.1
1459Q27.3Very low27.9Very low151 Ų151126 Ų12671%0.70662%0.62SS**  cis-173159.1-27.4-136.1-174.5-0.800110.2
1460L26.7Very low28.2Very low124 Ų124124.9 Ų124.965%0.64962%0.62SS**  trans70.1131147.1-106.763.2000123
1461D28.4Very low28.3Very low105 Ų105121.5 Ų121.556%0.56161%0.614SS**  91.3105.1129.6-73.8-12.5000125.3
1462Q27.7Very low28.5Very low137 Ų137123 Ų12364%0.6462%0.618SS**  79.6129.1112.6-71.3174.541.800123.4
1463H27.8Very low28.6Very low113 Ų113122.4 Ų122.452%0.52362%0.619SS.*  trans59153138.9-61.6-43.3000120.3E1262E1262-H1463 WeakPolarHBondContact OE1-CB 3.43Å
1464K27.4Very low29Very low91 Ų91121.7 Ų121.740%0.39662%0.616SS.*  cis-163.7-172.3-13.7-116177.9160.7-164.90108.4G1261 A1263 E1264G1261-K1464 WeakPolarHBondContact CA-O 3.15Å; A1263-K1464 HydrophobicContact CB-CB 3.49Å; A1263-K1464 VanDerWaalsContact CB-CB 3.49Å; A1263-K1464 HydrophobicContact CB-CD 4.18Å; A1263-K1464 HydrophobicContact CB-CG 4.39Å; E1264-K1464 WeakPolarHBondContact OE1-CE 3.19Å; E1264-K1464 IonicContact OE1-NZ 2.7Å; E1264-K1464 PolarHBondContact OE1-NZ 2.98Å; E1264-K1464 WeakPolarHBondContact OE2-CD 2.98Å; E1264-K1464 VanDerWaalsContact OE2-CE 3.24Å; E1264-K1464 WeakPolarHBondContact OE2-CE 3.39Å; E1264-K1464 IonicContact OE2-NZ 2.64Å; E1264-K1464 PolarHBondContact OE2-NZ 2.71Å
1465P37.1Very low29.1Very low80 Ų80124.1 Ų124.152%0.51963%0.628SS.*  trans-90.2-118.7-167.337.4-37.5000117.7E1262 E1264E1262-P1465 CarbonylContact C-O 3.52Å; E1262-P1465 VanDerWaalsContact CA-O 3.29Å; E1262-P1465 WeakPolarHBondContact CA-O 3.38Å; E1264-P1465 HydrophobicContact CG-CG 4.23Å
1466I26.5Very low29.2Very low88 Ų88123.9 Ų123.945%0.45163%0.626SS.*  trans79115.8-161.2-103.4175.8000113.5E1264E1264-I1466 VanDerWaalsContact O-CD1 3.22Å; E1264-I1466 WeakPolarHBondContact O-CD1 3.13Å; E1264-I1466 VanDerWaalsContact O-CG1 3.22Å; E1264-I1466 WeakPolarHBondContact O-CG1 3.12Å
1467E27.6Very low29.3Very low136 Ų136127.6 Ų127.664%0.63664%0.641SS**  71.1129.282.1-65.4-170.3152.500116.4
1468E28.6Very low29.4Very low159 Ų159125.5 Ų125.574%0.74364%0.636SS**  172.3117.598.3-99.5-148121.400113.9
1469T27.7Very low29.2Very low95 Ų95127 Ų12758%0.58364%0.639SS**  trans70.4158.8134.8690000123.7
1470N31.7Very low29.1Very low143 Ų143129.5 Ų129.577%0.76565%0.648SS**  trans74.2143.1158.8-54-45.3000116.3
1471S27.5Very low29Very low90 Ų90128.9 Ų128.963%0.62965%0.65SS**  cis167.3152.6-6.6510000104.5
1472D29.6Very low28.9Very low139 Ų139130.8 Ų130.874%0.74366%0.658SS**  cis-164.2-171.3-7.8-87.7-21.7000104
1473I31Very low28.9Very low145 Ų145129.1 Ų129.174%0.74466%0.659SS**  trans70.8124.3152.8-69.8150.2000116.7
1474D34.1Very low28.7Very low126 Ų126130 Ų13067%0.67466%0.659SS**  cis-154.7166.3-9.1-107.6-20.9000111.1
1475E30.5Very low28.5Very low151 Ų151131.5 Ų131.571%0.70667%0.667SS**  trans-8.6152.2144.4-46.4-175.6135.600117.5
1476M30.7Very low28Very low129 Ų129135.6 Ų135.664%0.63568%0.68SS**  cis-162.2148.430.8-155.2176.4-71.500112.8
1477E28.4Very low28.1Very low153 Ų153139.6 Ų139.672%0.71569%0.694SS**  trans-70.3157165.5-16.2103.8138.200110.8
1478K31.3Very low28Very low147 Ų147140.2 Ų140.264%0.63970%0.696SS**  -167.2132.9124.8-103.8138.1-146.864.80113.7
1479E26.4Very low28.1Very low164 Ų164138.8 Ų138.877%0.76669%0.693SS**  trans-52.7152.7153.5-50156.9104.300109.9
1480F25.4Very low28.1Very low204 Ų204138.5 Ų138.590%0.89569%0.688SS**  -157139.9123.6-114.6-72.1000110.6
1481V24.4Very low27.9Very low112 Ų112135 Ų13568%0.67967%0.672SS**  trans-127.8152-168.1-177.10000108.7
1482I24.6Very low28Very low144 Ų144134.2 Ų134.274%0.73866%0.658SS**  trans59.6164.1-178.53.9159.9000113.3Y1484I1482-Y1484 HydrophobicContact CG2-CD2 4.41Å
1483P27.9Very low27.8Very low102 Ų102132.1 Ų132.166%0.66264%0.64SS**  cis-138153.51.743.3-25.5000118.6
1484Y23.6Very low27.6Very low132 Ų132128.1 Ų128.152%0.51862%0.62SS.*  trans63.4147.4133.6-90.7-88.1000125.5G1285 S1286 I1482G1285-Y1484 VanDerWaalsContact CA-CE1 3.45Å; G1285-Y1484 WeakPolarHBondContact O-CE1 3.11Å; G1285-Y1484 PolarHBondContact O-OH 2.93Å; S1286-Y1484 WeakPolarHBondContact CA-OH 3.41Å; S1286-Y1484 PolarHBondContact N-OH 2.95Å; I1482-Y1484 HydrophobicContact CG2-CD2 4.41Å
1485Q24.6Very low27.3Very low122 Ų122127 Ų12757%0.5761%0.611SS**  trans69.7107.3145.6-96.6153.54600120
1486Q25.2Very low27.2Very low167 Ų167123.1 Ų123.178%0.7860%0.601SS**  95.6143.3112.5-165.3167.716.600117.8
1487K29.1Very low26.9Very low172 Ų172125.4 Ų125.475%0.74861%0.607SS**  trans79.6108-170-60.4-164.8169.9-174.40112.3
1488Q26.6Very low26.9Very low148 Ų148124.8 Ų124.869%0.69261%0.608SS**  88.1130.261.2-85.9-176.8-66.500110.1
1489I29.7Very low26.7Very low129 Ų129123.2 Ų123.266%0.66262%0.616SS**  trans73.2105.9151-65.7163.8000113.1
1490N27.1Very low26.8Very low90 Ų90122.7 Ų122.748%0.48161%0.613SS.*  82.3133.657.2-70.115.9000111.2E1744 D1745N1490-E1744 VanDerWaalsContact CB-O 3.22Å; N1490-E1744 WeakPolarHBondContact CB-O 3.36Å; N1490-E1744 VanDerWaalsContact CG-O 3.29Å; N1490-E1744 PolarHBondContact ND2-N 2.78Å; N1490-E1744 PolarHBondContact ND2-O 2.88Å; N1490-D1745 CarbonylContact C-O 3.58Å
1491T27.4Very low26.8Very low70 Ų70118.4 Ų118.443%0.42960%0.604SS.*  cis-159.6-164.8-17.2-32.10000110E1744 D1745 K1746 D1747T1491-E1744 VanDerWaalsContact OG1-C 3.28Å; T1491-E1744 PolarHBondContact OG1-O 2.92Å; T1491-D1745 VanDerWaalsContact CB-O 3.24Å; T1491-D1745 WeakPolarHBondContact CB-O 3.41Å; T1491-D1745 PolarHBondContact N-O 2.83Å; T1491-D1745 PolarHBondContact OG1-N 3.34Å; T1491-D1745 VanDerWaalsContact OG1-N 3.12Å; T1491-D1745 PolarHBondContact OG1-O 2.91Å; T1491-K1746 PolarHBondContact N-O 3.47Å; T1491-K1746 VanDerWaalsContact N-O 3.08Å; T1491-K1746 CarbonylContact O-C 3.46Å; T1491-D1747 PolarHBondContact O-N 2.68Å
1492E29.6Very low26.8Very low72 Ų72119.6 Ų119.634%0.33661%0.606SS.*  trans63.5161.1156.7-69.3161.9-160.200116.3K1746E1492-K1746 VanDerWaalsContact CD-NZ 3.32Å; E1492-K1746 IonicContact OE1-NZ 3.23Å; E1492-K1746 PolarHBondContact OE1-NZ 3.07Å; E1492-K1746 VanDerWaalsContact OE1-NZ 3.09Å; E1492-K1746 WeakPolarHBondContact OE2-CA 3.02Å; E1492-K1746 VanDerWaalsContact OE2-CD 3.27Å; E1492-K1746 WeakPolarHBondContact OE2-CD 3.39Å; E1492-K1746 WeakPolarHBondContact OE2-CE 3.42Å; E1492-K1746 WeakPolarHBondContact OE2-CG 3.34Å; E1492-K1746 PolarHBondContact OE2-N 3.24Å; E1492-K1746 IonicContact OE2-NZ 3.34Å; E1492-K1746 PolarHBondContact OE2-NZ 2.85Å
1493Y25.5Very low26.9Very low96 Ų96118.7 Ų118.738%0.37660%0.602SS.*  cis64.3-177.628.6-68.7-120.5000110.1E514 T515 I516 D1747 Y1748E514-Y1493 VanDerWaalsContact CD-CE2 3.42Å; E514-Y1493 HydrophobicContact CG-CE2 4.28Å; E514-Y1493 VanDerWaalsContact OE2-CE2 3.31Å; E514-Y1493 WeakPolarHBondContact OE2-CE2 3.21Å; T515-Y1493 HydrophobicContact CG2-CE1 4.4Å; T515-Y1493 PolarHBondContact OG1-OH 3.36Å; I516-Y1493 HydrophobicContact CD1-CD1 3.81Å; I516-Y1493 HydrophobicContact CD1-CE1 4.14Å; Y1493-D1747 CarbonylContact O-C 3.58Å; Y1493-D1747 VanDerWaalsContact O-C 3.31Å; Y1493-D1747 WeakPolarHBondContact O-CA 3.41Å; Y1493-Y1748 PolarHBondContact O-N 2.94Å
1494D28Very low26.9Very low61 Ų61120.4 Ų120.433%0.32661%0.605SS.*  cis-131.6-133.1-15.2-151.3-58.5000110.4I516 D1747I516-D1494 WeakPolarHBondContact CD1-OD1 3.09Å; D1494-D1747 PolarHBondContact N-OD1 3.12Å
1495E27.3Very low27.2Very low101 Ų101119.7 Ų119.747%0.47261%0.611SS.*  trans-48.9150.5177.1-43-167.3117.400117.9K519 Y1748K519-E1495 IonicContact NZ-OE1 3.03Å; K519-E1495 PolarHBondContact NZ-OE1 2.88Å; E1495-Y1748 WeakPolarHBondContact O-CE2 3.26Å; E1495-Y1748 PolarHBondContact O-OH 3.15Å
1496S28.2Very low27.4Very low71 Ų71119.2 Ų119.250%0.49761%0.612SS.*  trans-140131.5142.8-4.30000112.3Y1748S1496-Y1748 VanDerWaalsContact CB-OH 3.26Å; S1496-Y1748 WeakPolarHBondContact CB-OH 3.5Å; S1496-Y1748 VanDerWaalsContact OG-CE1 3.22Å; S1496-Y1748 WeakPolarHBondContact OG-CE1 3.33Å; S1496-Y1748 PolarHBondContact OG-OH 3.32Å
1497F23.9Very low27.6Very low176 Ų176116.8 Ų116.877%0.77260%0.604SS**  trans-75.8148.7156.1-84.4-107000109.8S1499F1497-S1499 PolarHBondContact O-N 3.27Å
1498L29.1Very low27.7Very low141 Ų141115.2 Ų115.274%0.73860%0.601SS**  trans-57.1124.6155-89.7158.7000110
1499S27.4Very low27.9Very low114 Ų114113.1 Ų113.180%0.79760%0.595SS**  -160.2135.7118.836.90000111.5F1497F1497-S1499 PolarHBondContact O-N 3.27Å
1500H28Very low28.1Very low153 Ų153112.7 Ų112.771%0.70859%0.594SS**  trans-75.1153.3-176.1-44.6-88.4000111.3
1501T25.5Very low28.4Very low114 Ų114111.6 Ų111.670%0.69960%0.604SS**  176.2142.294.432.10000112.4
1502N25.2Very low28.4Very low137 Ų137114.9 Ų114.973%0.73362%0.617SS**  trans62.5144.7138-64.8-16.3000119.3
1503I27.2Very low28.4Very low125 Ų125116.6 Ų116.664%0.64163%0.633SS**  cis-161.1152.3-3.7-126.2165.2000108.1
1504D27.4Very low28.5Very low137 Ų137116.7 Ų116.773%0.73364%0.644SS**  trans60.1152.4169.5-61.1-7.8000115.6
1505D29Very low28.5Very low118 Ų118119.7 Ų119.763%0.63166%0.66SS**  cis-151.5163.76.2-147.2-0.1000112.3
1506N29.6Very low28.5Very low112 Ų112120.2 Ų120.260%0.59967%0.666SS**  trans29.4128.1137.8-76.9-37.3000119.6
1507N29.2Very low28.5Very low115 Ų115125.5 Ų125.562%0.61568%0.676SS**  cis177.9178.46-141.9-28.1000109.6
1508M31.6Very low28.7Very low140 Ų140122.2 Ų122.269%0.6967%0.667SS**  trans46.1131.5141.9-58.7-134162.600119.8
1509N31.1Very low28.6Very low103 Ų103125.8 Ų125.855%0.55167%0.67SS**  cis-173.7-17711.2-124.124.5000110.6
1510D32Very low28.7Very low121 Ų121125.1 Ų125.165%0.64766%0.661SS**  trans40.5114.1142.5-50.5-24.4000118
1511G33.7Very low28.7Very low67 Ų67125.3 Ų125.369%0.69166%0.664SS**  cis-172.4172.124.400000117.9
1512I28.8Very low28.8Very low138 Ų138125.8 Ų125.871%0.70866%0.663SS**  cis62.9108.942.4-63.1176.2000108.9
1513T28.5Very low28.9Very low108 Ų108122.7 Ų122.766%0.66365%0.652SS**  cis-155.5-147.4616.30000109.2
1514T27.7Very low28.9Very low99 Ų99123.6 Ų123.661%0.60765%0.653SS**  16.9137.1122.368.90000115.7
1515D27.7Very low28.9Very low124 Ų124124 Ų12466%0.66365%0.651SS**  -151.2148.958.6-97.7-71.6000111.6
1516D28.7Very low28.9Very low112 Ų112124 Ų12460%0.59965%0.649SS**  41.1126.6101-82.6-2.7000112.2
1517Y27.9Very low28.8Very low181 Ų181128.9 Ų128.971%0.7166%0.661SS**  cis-174.3147.133.3-135.4-169.6000113
1518N28.1Very low28.6Very low108 Ų108127.5 Ų127.558%0.57866%0.661SS**  59.5152.9128.3-107.3-70.4000120.8
1519R27.4Very low28.4Very low215 Ų215128 Ų12881%0.81166%0.661SS**  trans70.9141.8149.8-68.8170.3179.1-141.10.6116.7
1520T27.8Very low28.1Very low100 Ų100129.9 Ų129.961%0.61367%0.666SS**  cis-160.5153.94.22.50000109.8
1521M28.3Very low27.8Very low157 Ų157130.1 Ų130.177%0.77367%0.668SS**  trans57.5122.5143.4-54.7-83.7171.800115.8
1522N28.1Very low27.4Very low124 Ų124132.7 Ų132.766%0.66366%0.664SS**  cis-166.6139.533.4-111.7-10.4000108.5
1523S26.9Very low27.2Very low72 Ų72133.2 Ų133.250%0.50366%0.664SS.*  52.1124.291.990.80000113.1
1524H27.6Very low27Very low144 Ų144133.6 Ų133.667%0.66767%0.671SS**  cis-158.3144.636.7-96.6-83.7000111.2
1525E27.6Very low26.9Very low147 Ų147132 Ų13269%0.68767%0.674SS**  73.2156.1129.4-66.6177.7-179.300120.4
1526I28.1Very low26.8Very low117 Ų117132.5 Ų132.560%0.668%0.681SS**  cis-150134.6-1.8-124.1156.3000110.1
1527Y27.6Very low26.7Very low214 Ų214134.7 Ų134.784%0.83969%0.688SS**  trans65.1150.7158.6-76.8-129.4000117.3
1528S25Very low26.6Very low87 Ų87131.6 Ų131.661%0.60868%0.684SS**  cis-149.5134.2-7.7-1660000106.6
1529Q26.9Very low26.6Very low149 Ų149131.3 Ų131.370%0.69669%0.686SS**  45.212377.6-95.5-177.372.400112.2
1530Q26.2Very low26.5Very low143 Ų143125.8 Ų125.867%0.66868%0.68SS**  cis-144.2156.330.9-96.5140.128.300109.8
1531N24.8Very low26.6Very low127 Ų127126.8 Ų126.868%0.67968%0.681SS**  51.4152.286.2-36.34.7000112.6
1532I25.6Very low26.6Very low120 Ų120126 Ų12662%0.61568%0.675SS**  cis-174.1169.135-150.4159.5000110.1
1533E25Very low26.7Very low149 Ų149125.7 Ų125.770%0.69667%0.67SS**  trans41.9118.6158.4-68141.8-155.800119.4
1534S23.4Very low26.7Very low116 Ų116129.5 Ų129.581%0.81169%0.685SS**  52.586.367.9830000115.3
1535G26.4Very low26.7Very low65 Ų65127.1 Ų127.167%0.6768%0.676SS**  trans-154.6132.6162.600000110.9
1536V25.1Very low26.8Very low135 Ų135124.8 Ų124.882%0.81867%0.672SS**  63.479.950.4-176.60000107.4
1537E26.6Very low26.8Very low158 Ų158126.2 Ų126.274%0.73868%0.68SS**  175.4167.974.8-96.9179.2-172.100108.7
1538N26.1Very low26.7Very low117 Ų117119 Ų11963%0.62667%0.666SS**  cis-163.9153.9-0.7-123.3-31.2000111
1539V28.3Very low26.8Very low102 Ų102122.3 Ų122.362%0.61867%0.671SS**  trans31.5114.9132.1169.30000117.2L1541V1539-L1541 HydrophobicContact CG1-CD1 4.31Å
1540S25.8Very low26.8Very low99 Ų99120.7 Ų120.769%0.69267%0.667SS**  -153.9140.568.5-91.20000112.3
1541L28.1Very low26.9Very low120 Ų120120.5 Ų120.563%0.62867%0.671SS**  63.4129.770.5-82.265000111.6V1539V1539-L1541 HydrophobicContact CG1-CD1 4.31Å
1542E28.4Very low27.1Very low141 Ų141121 Ų12166%0.65967%0.669SS**  cis-17116813.8-136.8167.8-149.800112.5
1543H31.4Very low27.3Very low117 Ų117121.8 Ų121.854%0.54267%0.672SS.*  trans64.6113.9162.7-71.477.8000116.2
1544D26.6Very low27.3Very low153 Ų153121 Ų12182%0.81867%0.671SS**  cis50.8178.413.2-163.610.8000113.5
1545I28.6Very low27.6Very low93 Ų93121.2 Ų121.248%0.47767%0.67SS.*  trans64.1109.3167.4-66165.5000112.7
1546T28.8Very low27.5Very low99 Ų99123.2 Ų123.261%0.60767%0.665SS**  cis-176.8163.32014.50000111.3
1547N27.3Very low27.6Very low146 Ų146125.5 Ų125.578%0.78166%0.66SS**  trans64.7150.5138-66.9-17.5000121.1
1548A27Very low27.4Very low64 Ų64122.8 Ų122.853%0.52966%0.659SS.*  cis-177.9170-21.500000108.5
1549Q26.2Very low27.4Very low155 Ų155123.6 Ų123.672%0.72466%0.662SS**  trans69.7166.7137.4-93.6-179.2-100.800119
1550D26.6Very low27.3Very low115 Ų115125.7 Ų125.762%0.61567%0.669SS**  trans36.9104.2144.3-50.32.6000114.6
1551D29.2Very low27.1Very low139 Ų139124.6 Ų124.674%0.74366%0.661SS**  170.8173.158.9-96.8-27.8000106.8
1552E29.3Very low26.8Very low137 Ų137127.1 Ų127.164%0.6467%0.672SS**  cis-155.3167.72.3-128176.7161.600108
1553M29.3Very low26.5Very low137 Ų137124.6 Ų124.668%0.67568%0.675SS**  trans22.6121142.9-62.7176.2-155.700119
1554I24.7Very low26.1Very low133 Ų133124.1 Ų124.168%0.68268%0.681SS**  39.490.280.1-51.9175.5000111.3D1556I1554-D1556 HydrophobicContact CG2-CB 4.19Å; I1554-D1556 VanDerWaalsContact CG2-CG 3.41Å; I1554-D1556 WeakPolarHBondContact CG2-OD1 3.47Å
1555P28.7Very low26.1Very low120 Ų120123.9 Ų123.978%0.77968%0.68SS**  -115.3117.498.3-1028.2000110.9
1556D26.1Very low26.1Very low107 Ų107129.7 Ų129.757%0.57270%0.697SS**  68.5121.468.2-86.6-22.1000113.5I1554I1554-D1556 HydrophobicContact CG2-CB 4.19Å; I1554-D1556 VanDerWaalsContact CG2-CG 3.41Å; I1554-D1556 WeakPolarHBondContact CG2-OD1 3.47Å
1557Y25.6Very low26.1Very low184 Ų184130.5 Ų130.572%0.72270%0.704SS**  trans72.7127144.9-73.4-127000113.1
1558S24.1Very low26Very low100 Ų100127.6 Ų127.670%0.69970%0.695SS**  52.4139.382-54.80000111.5
1559L24.9Very low26.3Very low134 Ų134131 Ų13170%0.70270%0.704SS**  -162.7157.762.8-75.1163000109.2
1560L25.5Very low26.5Very low146 Ų146128.8 Ų128.876%0.76470%0.703SS**  trans38.7138.8138.2-78.985000119.9
1561S21.5Very low26.4Very low76 Ų76128 Ų12853%0.53170%0.703SS.*  cis172179.90.351.90000109A1563S1561-A1563 PolarHBondContact O-N 3.14Å; S1561-A1563 VanDerWaalsContact O-N 3.12Å
1562M22.8Very low26.3Very low174 Ų174128 Ų12886%0.85770%0.696SS**  1789.2126.1-52.6169-172.100116.5
1563A22.5Very low26.2Very low87 Ų87130.4 Ų130.472%0.71970%0.701SS**  trans-14576.414200000107.3S1561S1561-A1563 PolarHBondContact O-N 3.14Å; S1561-A1563 VanDerWaalsContact O-N 3.12Å
1564T22Very low26.2Very low108 Ų108131.2 Ų131.266%0.66370%0.703SS**  38107.496.970.30000112.6
1565N26.7Very low26.3Very low148 Ų148130.6 Ų130.679%0.79171%0.705SS**  -174.1132.7101.9-90.2-42.9000112.6
1566Y29.9Very low26.3Very low215 Ų215132.1 Ų132.184%0.84371%0.706SS**  trans-52.6137.6147.9-78.3-101.5000108.5
1567P28.7Very low26.5Very low116 Ų116131.8 Ų131.875%0.75371%0.713SS**  -116.9131.490.5-5.125.2000111
1568S25.2Very low26.7Very low84 Ų84127.1 Ų127.159%0.58771%0.707SS**  65.7100.978.6-52.90000113.1
1569D31.8Very low26.9Very low136 Ų136127.7 Ų127.773%0.72771%0.706SS**  22.3119.7113.8-178.634000115.3T1571D1569-T1571 PolarHBondContact OD1-N 3.35Å
1570P30.2Very low27.2Very low108 Ų108127.4 Ų127.470%0.70171%0.705SS**  -140.890.9118.738.4-26000115.2
1571T25.7Very low27.4Very low98 Ų98127.2 Ų127.260%0.60170%0.701SS**  trans67.9-178.7138.871.90000115.6D1569D1569-T1571 PolarHBondContact OD1-N 3.35Å
1572K26.7Very low27.8Very low141 Ų141129.3 Ų129.361%0.61371%0.705SS**  cis-169.114414.9-142.4163.5-162152.70109.4
1573Y28.1Very low28.1Very low186 Ų186127.3 Ų127.373%0.72970%0.696SS**  trans62.9154.7168.1-48.2-53000114.7
1574Q28.7Very low28.4Very low155 Ų155129.2 Ų129.272%0.72469%0.694SS**  cis-146.6130.9-7.7-128.9148.4-18.300104.7
1575V26.7Very low28.6Very low120 Ų120128.4 Ų128.473%0.72769%0.689SS**  4585.376178.50000108.6
1576D29.1Very low28.5Very low151 Ų151127.4 Ų127.481%0.80768%0.684SS**  -172.3164.297.4-90.1-31.8000108.8
1577S30.9Very low28.5Very low100 Ų100124.5 Ų124.570%0.69968%0.678SS**  cis-174.3155.2-5.8175.40000105
1578S29.4Very low28.3Very low87 Ų87124.3 Ų124.361%0.60868%0.675SS**  cis-159.3143.80.122.50000106.8
1579T28.2Very low28.3Very low111 Ų111126.8 Ų126.868%0.68168%0.681SS**  57115.190.5-21.70000111.5Q1581T1579-Q1581 HydrophobicContact CG2-CG 4.24Å
1580D31.7Very low27.9Very low128 Ų128128.7 Ų128.768%0.68469%0.686SS**  -148.4126.281.4-92.4-1.7000113.3
1581Q29.6Very low27.8Very low142 Ų142127.2 Ų127.266%0.66469%0.689SS**  76.3135.693.7-70.8-174.764.200112.5T1579T1579-Q1581 HydrophobicContact CG2-CG 4.24Å
1582I28.8Very low27.7Very low121 Ų121132 Ų13262%0.62170%0.702SS**  cis-166.9154.613.9-134.4172.1000112.4
1583I29.3Very low27.5Very low132 Ų132129.5 Ų129.568%0.67770%0.703SS**  trans42.7133.9135.4-78.5170.9000119.1
1584N28.4Very low27.4Very low126 Ų126130.4 Ų130.467%0.67471%0.706SS**  cis-168.6155.213.9-128.68.8000115
1585T26.6Very low27.3Very low92 Ų92128.5 Ų128.556%0.56470%0.701SS**  trans19.7143.4137.564.40000123.7
1586N26Very low27.3Very low126 Ų126128.5 Ų128.567%0.67470%0.697SS**  trans72.6155.5137.7-68.21.7000118.3
1587Q28Very low27.2Very low155 Ų155128.4 Ų128.472%0.72469%0.691SS**  cis-156.7154.6-6.2-122.6159.5-16.500112.1
1588T24.4Very low27.1Very low112 Ų112130.6 Ų130.669%0.68769%0.69SS**  trans-2.8150.3152.354.10000122.5
1589L25.7Very low27.1Very low135 Ų135133.1 Ų133.171%0.70770%0.696SS**  trans99.1133136.3-117.974.8000119.8
1590E24.5Very low27.1Very low177 Ų177132.6 Ų132.683%0.82770%0.697SS**  trans46.6134.8143.2-76.7166.2-158.900121.5
1591G27Very low27Very low76 Ų76132.2 Ų132.278%0.78470%0.695SS**  trans151.791.8148.200000117.7
1592F24.4Very low27Very low198 Ų198132.1 Ų132.187%0.86870%0.695SS**  trans-13.9131.8154.4-81.7-94000119.4
1593S23.2Very low27.1Very low90 Ų90131.3 Ų131.363%0.62970%0.696SS**  77.6141.3129.2-67.80000122.8
1594Y24.9Very low27Very low204 Ų204128.7 Ų128.780%0.868%0.683SS**  trans77.8131.6144.1-84.9-57000120.5
1595N26.9Very low27Very low116 Ų116126.8 Ų126.862%0.6267%0.669SS**  trans74.4106.9138.8-71.5-23.3000119
1596N25.6Very low27.1Very low120 Ų120125.9 Ų125.964%0.64267%0.671SS**  82.3121.5114.2-67.1-18.7000119.7
1597H27.5Very low27.2Very low148 Ų148124.1 Ų124.169%0.68566%0.66SS**  96.2147.9118.3-90.8-42.9000120.5
1598H29Very low27.1Very low146 Ų146122.7 Ų122.768%0.67665%0.653SS**  trans62.8103161.3-72-72.8000116.2
1599L28.8Very low27.1Very low141 Ų141125.2 Ų125.274%0.73865%0.65SS**  80.5163.162-82.6158.5000113.5
1600S29.1Very low27.2Very low99 Ų99124.9 Ų124.969%0.69264%0.643SS**  trans84.1137.1164.175.40000116.5
1601N29.6Very low27.3Very low120 Ų120118.5 Ų118.564%0.64262%0.616SS**  cis-165.9171.9-10.2-106.34.7000104.7
1602E30.3Very low27.2Very low141 Ų141122.7 Ų122.766%0.65962%0.615SS**SBendcis-159.4162.9-3.6-114.6146.816600103
1603T29.2Very low27.3Very low104 Ų104116.9 Ų116.964%0.63860%0.604SS**SBendcis-115.2120.3923.80000109.9
1604D28.2Very low27.5Very low76 Ų76116.9 Ų116.941%0.40660%0.604SS.*  91.4158.878.1-151.3-146.3000106.8H741H741-D1604 PolarHBondContact CD2-O 3.26Å; H741-D1604 VanDerWaalsContact CD2-O 3.28Å; H741-D1604 IonicContact CE1-OD1 2.78Å; H741-D1604 IonicContact ND1-OD1 2.91Å
1605F28.8Very low27.5Very low87 Ų87115.4 Ų115.438%0.38260%0.604SS.*  cis-160.8120.917.2-155.125.200098.4H741 E742H741-F1605 HydrophobicContact CB-CB 3.53Å; H741-F1605 HydrophobicContact CB-CD2 4.29Å; H741-F1605 HydrophobicContact CB-CG 4.45Å; H741-F1605 WeakPolarHBondContact ND1-CB 3.22Å; H741-F1605 AromaticContact ND1-CD2 3.3Å; H741-F1605 VanDerWaalsContact ND1-CD2 3.3Å; H741-F1605 WeakPolarHBondContact ND1-CD2 3.38Å; H741-F1605 AromaticContact ND1-CG 3.55Å; E742-F1605 VanDerWaalsContact CA-C 3.44Å; E742-F1605 VanDerWaalsContact CA-O 3.28Å; E742-F1605 WeakPolarHBondContact CA-O 3.49Å; E742-F1605 HydrophobicContact CB-CB 3.71Å; E742-F1605 HydrophobicContact CB-CD1 3.64Å; E742-F1605 HydrophobicContact CB-CD2 3.44Å; E742-F1605 VanDerWaalsContact CB-CD2 3.44Å; E742-F1605 HydrophobicContact CB-CE1 4.12Å; E742-F1605 HydrophobicContact CB-CE2 3.94Å; E742-F1605 HydrophobicContact CB-CG 3.25Å; E742-F1605 HydrophobicContact CB-CZ 4.25Å; E742-F1605 VanDerWaalsContact CG-CA 3.49Å; E742-F1605 HydrophobicContact CG-CB 3.44Å; E742-F1605 VanDerWaalsContact CG-CB 3.44Å; E742-F1605 HydrophobicContact CG-CD1 3.08Å; E742-F1605 HydrophobicContact CG-CD2 3.88Å; E742-F1605 HydrophobicContact CG-CE1 3.78Å; E742-F1605 HydrophobicContact CG-CE2 4.46Å; E742-F1605 HydrophobicContact CG-CG 3.12Å; E742-F1605 HydrophobicContact CG-CZ 4.41Å; E742-F1605 PolarHBondContact N-O 2.8Å; E742-F1605 WeakPolarHBondContact OE1-CD1 2.99Å; E742-F1605 WeakPolarHBondContact OE2-CE1 3.32Å
1606A27.4Very low27.5Very low73 Ų73115 Ų11560%0.60361%0.606SS**  -102.7-91.1-127.800000124.8E742E742-A1606 VanDerWaalsContact CG-N 3.27Å
1607I28.4Very low27.6Very low88 Ų88115.8 Ų115.845%0.45161%0.611SS.*  trans-119.6-164.2-143.634.7171.9000114.3N743 S744N743-I1607 CarbonylContact C-O 3.58Å; N743-I1607 VanDerWaalsContact C-O 3.25Å; N743-I1607 WeakPolarHBondContact CA-O 3.24Å; S744-I1607 CarbonylContact C-O 3.56Å; S744-I1607 WeakPolarHBondContact CA-O 3.27Å; S744-I1607 PolarHBondContact N-O 3.09Å
1608Q26.1Very low27.8Very low125 Ų125116.5 Ų116.558%0.58461%0.614SS**  cis162.6-135-25.5-164.2-169.332.100109.6S744 G745 N746S744-Q1608 VanDerWaalsContact C-N 3.26Å; S744-Q1608 CarbonylContact C-O 3.43Å; S744-Q1608 VanDerWaalsContact O-O 3.09Å; G745-Q1608 PolarHBondContact N-O 3.19Å; N746-Q1608 VanDerWaalsContact C-OE1 3.24Å
1609R25.6Very low27.7Very low165 Ų165117.1 Ų117.162%0.62362%0.617SS**  trans77.6136.4-178-120.9157-105-178.816.3116.8G745 N746G745-R1609 VanDerWaalsContact C-N 3.27Å; G745-R1609 WeakPolarHBondContact O-CA 3.49Å; G745-R1609 WeakPolarHBondContact O-CB 3.47Å; G745-R1609 WeakPolarHBondContact O-CD 3.06Å; G745-R1609 WeakPolarHBondContact O-CG 3.08Å; G745-R1609 PolarHBondContact O-N 2.93Å; G745-R1609 PolarHBondContact O-NE 2.85Å; N746-R1609 WeakPolarHBondContact O-CA 3.23Å; N746-R1609 PolarHBondContact O-N 2.76Å; N746-R1609 PolarHBondContact OD1-NH2 2.88Å
1610K26Very low27.7Very low129 Ų129115 Ų11556%0.56162%0.615SS**  cis-156.2146.5-17.9-136.2-152.3150.7-141.80110.9H747 E1612H747-K1610 WeakPolarHBondContact O-CA 2.97Å; K1610-E1612 IonicContact NZ-OE1 2.68Å; K1610-E1612 PolarHBondContact NZ-OE1 3.33Å; K1610-E1612 VanDerWaalsContact NZ-OE1 3.08Å
1611V26.5Very low27.8Very low42 Ų42119.5 Ų119.526%0.25562%0.618SS.*  29.9152.6126.8168.70000123.1H747 L748H747-V1611 PolarHBondContact O-N 2.84Å; L748-V1611 HydrophobicContact CB-CG2 3.98Å; L748-V1611 VanDerWaalsContact N-CG2 3.34Å
1612E26.5Very low27.8Very low164 Ų164121.1 Ų121.177%0.76662%0.622SS**  trans72.1145.7162.6-79.2143.7-126.600114.5K1610K1610-E1612 IonicContact NZ-OE1 2.68Å; K1610-E1612 PolarHBondContact NZ-OE1 3.33Å; K1610-E1612 VanDerWaalsContact NZ-OE1 3.08Å
1613A26.5Very low27.8Very low77 Ų77122.6 Ų122.664%0.63663%0.626SS**  cis-170.6-171.7-19.200000107.7
1614S25.9Very low27.7Very low90 Ų90122.9 Ų122.963%0.62963%0.627SS**  trans35.1111141.762.30000118.2
1615E26.5Very low27.8Very low172 Ų172125.4 Ų125.480%0.80464%0.641SS**  120.6138.374.8-96172.1162.200107.2
1616T26.8Very low27.8Very low108 Ų108125.8 Ų125.866%0.66365%0.654SS**  trans47.6121.6146.257.60000121.9
1617D27.2Very low28Very low136 Ų136128.4 Ų128.473%0.72766%0.663SS**  94.3136.7119-63.1-2.6000123.2
1618E31.1Very low28Very low163 Ų163129.6 Ų129.676%0.76267%0.674SS**  trans71.9116.9144.6-73.1178.5-175.500121.8
1619E27.8Very low28.2Very low159 Ų159131.6 Ų131.674%0.74368%0.678SS**  trans45.4130131.7-47.8-166.2153.300119.3
1620S29.1Very low28.4Very low98 Ų98129.9 Ų129.969%0.68568%0.676SS**  175146.665.640.40000114.8
1621Y30.3Very low28.6Very low192 Ų192130.7 Ų130.775%0.75368%0.683SS**  trans62.8119.9142.3-71.3-45.2000124.3
1622Q30Very low28.7Very low155 Ų155132.2 Ų132.272%0.72470%0.695SS**  trans81.1136.1135.8-6417729.300117.5
1623K29.3Very low28.8Very low171 Ų171131.3 Ų131.374%0.74369%0.69SS**  cis-165.9149.16.1-132.6-176.2178.3-171.60112.2
1624V28.4Very low28.9Very low110 Ų110135.5 Ų135.567%0.66770%0.695SS**  trans58.3118.9141.3155.10000117.1
1625D30.2Very low29Very low130 Ų130136.8 Ų136.870%0.69569%0.693SS**  cis-138.9137.66.5-94.2-34.2000109.8
1626S28Very low29Very low94 Ų94133 Ų13366%0.65769%0.686SS**  70.7113.773.7-46.20000111.7
1627T31.6Very low29Very low128 Ų128135.5 Ų135.579%0.78569%0.689SS**  cis-150.4142.15.630.30000108.9
1628T29.2Very low29Very low113 Ų113134.2 Ų134.269%0.69368%0.683SS**  83.812752.6-58.20000111.9
1629Y29.9Very low28.8Very low168 Ų168132.1 Ų132.166%0.65968%0.676SS**  cis-160.1161.7-5.8-118.1-157000109.1
1630E29.9Very low28.9Very low128 Ų128130.1 Ų130.160%0.59867%0.666SS**  53.915287.9-50-175.9-172.500114.2
1631E30.9Very low28.9Very low147 Ų147128.3 Ų128.369%0.68765%0.649SS**  cis-156.8141.622.2-132.3161156.700105.4
1632S27Very low28.8Very low73 Ų73122.5 Ų122.551%0.5163%0.63SS.*  cis71.3121.337.675.70000116.4
1633H29.6Very low28.7Very low145 Ų145118.7 Ų118.767%0.67162%0.618SS**  trans70.8159.1174.6-49.2-52.9000114.3I1635H1633-I1635 HydrophobicContact CB-CD1 4.33Å
1634F27.6Very low28.6Very low166 Ų166117.7 Ų117.773%0.72862%0.62SS**  cis-120.514813.5-77.6-105000110
1635I28Very low28.5Very low116 Ų116116.7 Ų116.760%0.59562%0.618SS**  61.4140.857.7-56.2169.2000111.4H1633H1633-I1635 HydrophobicContact CB-CD1 4.33Å
1636S26.4Very low28.2Very low94 Ų94118.5 Ų118.566%0.65762%0.615SS**  trans100.3111.8-174.4-49.40000111
1637H27.8Very low28.2Very low159 Ų159116.4 Ų116.474%0.73660%0.598SS**  71.9131.769.7-72.4-73.4000109.3
1638D26.7Very low27.8Very low109 Ų109112.3 Ų112.358%0.58357%0.572SS**  cis-153.815922.2-124.1-13.7000111
1639I27.7Very low27.8Very low120 Ų120112.4 Ų112.462%0.61557%0.567SS**  63.7133.3101.5-96.8177.6000112.4
1640H29.3Very low27.5Very low117 Ų117107.9 Ų107.954%0.54255%0.554SS.*  cis-169.2-176.715.3-133.3-31.5000109.8Q1710H1640-Q1710 PolarHBondContact CD2-NE2 2.83Å; H1640-Q1710 PolarHBondContact CE1-NE2 2.89Å; H1640-Q1710 PolarHBondContact NE2-NE2 3.25Å
1641N28.6Very low27.3Very low60 Ų60105.4 Ų105.432%0.32155%0.551SS.*  trans66.5160139.2-66.4-1.2000120.6E1709 Q1710N1641-E1709 HydrophobicContact CB-CG 4.26Å; N1641-E1709 WeakPolarHBondContact CB-OE1 3.36Å; N1641-E1709 PolarHBondContact ND2-OE1 3.44Å; N1641-E1709 PolarHBondContact ND2-OE2 2.86Å; N1641-Q1710 VanDerWaalsContact CG-NE2 3.31Å; N1641-Q1710 VanDerWaalsContact ND2-CD 3.31Å; N1641-Q1710 PolarHBondContact ND2-NE2 3.49Å; N1641-Q1710 PolarHBondContact OD1-NE2 3.25Å
1642D29Very low27Very low69 Ų69104.6 Ų104.637%0.36955%0.551SS.*  cis-162.6148.7-19.6-106.2-16.9000111.5E1709 Q1710D1642-E1709 HydrophobicContact CB-CB 4.47Å; D1642-E1709 HydrophobicContact CB-CG 3.99Å; D1642-E1709 WeakPolarHBondContact OD2-CA 3.27Å; D1642-E1709 WeakPolarHBondContact OD2-CB 3.31Å; D1642-E1709 WeakPolarHBondContact OD2-CG 3.44Å; D1642-Q1710 WeakPolarHBondContact OD2-CA 3.43Å; D1642-Q1710 WeakPolarHBondContact OD2-CB 3.46Å; D1642-Q1710 WeakPolarHBondContact OD2-CG 3.37Å; D1642-Q1710 PolarHBondContact OD2-N 3.05Å
1643V27.7Very low26.9Very low75 Ų75105.2 Ų105.246%0.45556%0.555SS.*  71.5117.385.7174.40000115.1
1644D27.9Very low26.6Very low150 Ų150108.2 Ų108.280%0.80256%0.562SS**  trans61.8165.9159.1-70.5-0.2000117.9
1645S26Very low26.5Very low89 Ų89107.9 Ų107.962%0.62256%0.563SS**  cis-147.6164.4-12.229.30000112.3
1646R24.2Very low26.4Very low169 Ų169110.1 Ų110.164%0.63857%0.571SS**  trans-31.2141.1155.2-54.4144.3107-155.1-14.5113.5E778 Q780E778-R1646 VanDerWaalsContact CD-NH1 3.3Å; E778-R1646 IonicContact OE1-CZ 3.92Å; E778-R1646 IonicContact OE1-NE 2.61Å; E778-R1646 IonicContact OE1-NH1 3.78Å; E778-R1646 PolarHBondContact OE1-NH1 3.36Å; E778-R1646 IonicContact OE1-NH2 3.38Å; E778-R1646 PolarHBondContact OE1-NH2 3.02Å; E778-R1646 WeakPolarHBondContact OE2-CD 3.29Å; E778-R1646 IonicContact OE2-CZ 3.22Å; E778-R1646 IonicContact OE2-NE 2.8Å; E778-R1646 PolarHBondContact OE2-NE 2.78Å; E778-R1646 IonicContact OE2-NH1 2.68Å; E778-R1646 PolarHBondContact OE2-NH1 3Å; E778-R1646 IonicContact OE2-NH2 2.65Å; E778-R1646 PolarHBondContact OE2-NH2 2.86Å; Q780-R1646 PolarHBondContact NE2-O 3.19Å
1647V26.6Very low26.5Very low49 Ų49111 Ų11130%0.29758%0.575SS.*  -177149.9100.6132.10000114.8E778 Q780E778-V1647 HydrophobicContact CB-CG2 4.33Å; E778-V1647 HydrophobicContact CG-CG2 4.42Å; Q780-V1647 HydrophobicContact CB-CB 3.86Å; Q780-V1647 HydrophobicContact CB-CG1 3.84Å; Q780-V1647 HydrophobicContact CB-CG2 3.66Å; Q780-V1647 HydrophobicContact CG-CB 3.78Å; Q780-V1647 HydrophobicContact CG-CG1 4.22Å; Q780-V1647 HydrophobicContact CG-CG2 3.77Å
1648D24.4Very low26.3Very low42 Ų42109.7 Ų109.723%0.22557%0.573CS.*  trans-5.7-168.3143.4-10.7-42.8000121.3E778 P779E778-D1648 VanDerWaalsContact C-OD2 3.28Å; E778-D1648 WeakPolarHBondContact CB-OD2 3.24Å; P779-D1648 WeakPolarHBondContact CA-OD2 3.45Å; P779-D1648 VanDerWaalsContact CB-OD2 3.28Å; P779-D1648 WeakPolarHBondContact CB-OD2 2.86Å
1649I28.3Very low26.4Very low115 Ų115111.7 Ų111.759%0.5958%0.584SS**  trans78.7107.1-169.8-49.4175.7000109.7Q1701I1649-Q1701 CarbonylContact C-O 3.41Å; I1649-Q1701 VanDerWaalsContact C-O 3.24Å; I1649-Q1701 CarbonylContact O-C 3.59Å; I1649-Q1701 VanDerWaalsContact O-C 3.22Å; I1649-Q1701 PolarHBondContact O-N 3.4Å
1650N24Very low26.4Very low73 Ų73110.6 Ų110.639%0.3959%0.587SS.*  cis80.888.310.6-149.4-24.7000115.5V1700 Q1701N1650-V1700 WeakPolarHBondContact CA-O 3.41Å; N1650-V1700 VanDerWaalsContact N-C 3.29Å; N1650-V1700 PolarHBondContact N-O 2.82Å; N1650-Q1701 PolarHBondContact N-O 3.26Å
1651S25.2Very low26.3Very low76 Ų76112.3 Ų112.353%0.53160%0.599SS.*  trans164.4118.6153.7-770000114.1V1700 Q1701S1651-V1700 PolarHBondContact N-O 2.93Å; S1651-V1700 VanDerWaalsContact N-O 3.16Å; S1651-Q1701 WeakPolarHBondContact O-CB 3.39Å; S1651-Q1701 VanDerWaalsContact O-CG 3.28Å; S1651-Q1701 WeakPolarHBondContact O-CG 3.42Å; S1651-Q1701 PolarHBondContact O-OE1 3.22Å
1652D24.8Very low26.1Very low130 Ų130116.7 Ų116.770%0.69562%0.618SS**  trans-1.4133.7152.6-48.6-49.7000120.6
1653S25.2Very low26Very low86 Ų86118.4 Ų118.460%0.60163%0.63SS**  178.7117.3119.735.80000113
1654Y24.3Very low25.9Very low209 Ų209120.5 Ų120.582%0.8264%0.639SS**  87.3134.278-92.7-73.8000115.6
1655Q25.2Very low25.9Very low158 Ų158119.7 Ų119.774%0.73863%0.633SS**  trans78.2106.5160.9-61.7-178.9-93.700119.8
1656E24.8Very low25.9Very low163 Ų163123.4 Ų123.476%0.76264%0.641SS**  36.1128104.6-60.5175.9142.100117.2
1657P28.1Very low26.1Very low114 Ų114120.9 Ų120.974%0.7464%0.644SS**  -145.5147.277.638.5-22.7000118
1658D25.5Very low26.1Very low131 Ų131125.6 Ų125.670%0.70167%0.668SS**  trans36.1117.3133.5-49.1-30.9000120.9
1659N28.5Very low26.2Very low150 Ų150129.9 Ų129.980%0.80270%0.695SS**  156.5113.1109.5-80.9-69.7000109.8
1660S26.4Very low26.2Very low98 Ų98133.1 Ų133.169%0.68571%0.708SS**  60.210786.8-153.30000111.7
1661L26.8Very low26.3Very low153 Ų153133 Ų13380%0.80172%0.724SS**  -154.4166.955.1-95.490.2000110.9
1662H25.7Very low26.4Very low152 Ų152137.1 Ų137.170%0.70473%0.734SS**  cis179.2140.2-18.7-168.9-2.6000109.6
1663V25.7Very low26.6Very low105 Ų105137.5 Ų137.564%0.63673%0.732SS**  trans71.2133.4159.6150.30000117.7
1664D27.2Very low26.7Very low119 Ų119140.1 Ų140.164%0.63673%0.734SS**  cis-155.8147.4-11.2-92.7-17.2000107.7
1665I27Very low26.9Very low133 Ų133136.2 Ų136.268%0.68272%0.724SS**  68.6126.262.5-60178.4000111.8
1666E27Very low27Very low167 Ų167135 Ų13578%0.7872%0.718SS**  cis-132163.84.8-103.9129.4-150.300108.6
1667T27.6Very low27.2Very low115 Ų115134.2 Ų134.271%0.70671%0.712SS**  cis96135.412.465.20000120.1
1668N26.7Very low27.4Very low149 Ų149134 Ų13480%0.79770%0.704SS**  trans90.6141.2171.7-59.8-26.9000118.5
1669V27.1Very low27.5Very low132 Ų132130.2 Ų130.280%0.869%0.687SS**  cis108.5150.116.8170.20000114.1
1670E26.9Very low27.8Very low182 Ų182126 Ų12685%0.8567%0.668SS**  trans80.7124.6175.5-145.9150.3-131.800113.5
1671G26Very low28Very low71 Ų71126.4 Ų126.473%0.73266%0.663SS**  121158.858.400000106.9
1672H28.4Very low28Very low162 Ų162122.6 Ų122.675%0.7565%0.649SS**  cis-172.51765.7-157.1-2.1000106.7
1673H28.3Very low28.2Very low139 Ų139122 Ų12264%0.64465%0.647SS**  trans70142.5165.5-7244000116.4
1674Q27.6Very low28.3Very low140 Ų140123.7 Ų123.765%0.65465%0.651SS**  cis-156.2162.3-0.4-97168.20.200106.3
1675Q27.5Very low28.3Very low127 Ų127122.8 Ų122.859%0.59365%0.653SS**  cis-163.6142.74.5-123.6156.117.700110.3
1676Q28.5Very low28.5Very low132 Ų132123.2 Ų123.262%0.61765%0.653SS**  trans67.5146.4140.7-68.7171.33.100120.3
1677F29.6Very low28.6Very low147 Ų147119.9 Ų119.965%0.64564%0.64SS**  cis-160.7137.8-3.2-118.3-31.7000112
1678I32Very low28.7Very low111 Ų111116.2 Ų116.257%0.56962%0.619SS**  trans67.6145.3149.5-70160000112.5L1003L1003-I1678 WeakPolarHBondContact CD1-O 3.48Å; L1003-I1678 VanDerWaalsContact CG-O 3.22Å; L1003-I1678 WeakPolarHBondContact CG-O 3.45Å
1679S26.6Very low28.8Very low50 Ų50113.8 Ų113.835%0.3561%0.61SS.*  cis85.3145.311.8-59.30000121.1V1002 L1003 K1004V1002-S1679 PolarHBondContact O-N 3.33Å; L1003-S1679 VanDerWaalsContact CD2-O 3.32Å; L1003-S1679 WeakPolarHBondContact CD2-O 3.41Å; L1003-S1679 VanDerWaalsContact CG-N 3.33Å; K1004-S1679 PolarHBondContact NZ-O 3.37Å
1680P35.7Very low28.8Very low62 Ų62113.5 Ų113.540%0.40360%0.603SS.*  cis-123.9-112.9-47.835.5-19.7000110.5V1002 K1004V1002-P1680 HydrophobicContact CG1-CB 3.85Å; K1004-P1680 WeakPolarHBondContact CG-O 3.15Å; K1004-P1680 PolarHBondContact NZ-O 2.77Å
1681D29.5Very low29Very low106 Ų106111 Ų11157%0.56759%0.591SS**  trans75.8116.6166.9-40.1-40.7000116.5K1004K1004-D1681 IonicContact NZ-OD2 3.27Å; K1004-D1681 PolarHBondContact NZ-OD2 3.08Å
1682S27.4Very low29.2Very low74 Ų74112 Ų11252%0.51758%0.578SS.*  cis89.9150.646.1-78.80000113.3
1683E28.9Very low29.3Very low140 Ų140109.7 Ų109.765%0.65457%0.567SS**  cis-134.6139.41.6-130.2121.1-116.800106.9
1684I28.4Very low29.4Very low140 Ų140107.4 Ų107.472%0.71856%0.557SS**  37.8116.289.4-47.3174.4000112.8
1685S27.6Very low29.6Very low99 Ų99104.8 Ų104.869%0.69254%0.544SS*.  trans171129.6133.2-177.70000109.8
1686E30.3Very low29.8Very low143 Ų143103.4 Ų103.467%0.66854%0.538SS*.  cis-163168.7-7.2-119.2167.9-103.400111.6
1687N30.1Very low30.1Very low96 Ų96100 Ų10051%0.51352%0.524SS..  trans34.9120.6144.5-66.8-41.2000120.2
1688S29.9Very low30.2Very low39 Ų39100.5 Ų100.527%0.27353%0.528SS..  cis-173.7-166.75.6-102.50000107.3T768 G769 T770T768-S1688 VanDerWaalsContact CG2-O 3.22Å; T768-S1688 WeakPolarHBondContact CG2-O 3.5Å; G769-S1688 WeakPolarHBondContact CA-OG 3.32Å; T770-S1688 PolarHBondContact N-OG 3.47Å; T770-S1688 PolarHBondContact OG1-OG 2.79Å
1689T28.4Very low30.3Very low98 Ų98101 Ų10160%0.60153%0.528SS*.SBendcis65.5-178.49.4-169.30000117.4T768 G769 T770T768-T1689 CarbonylContact C-O 3.44Å; T768-T1689 VanDerWaalsContact CA-O 3.28Å; T768-T1689 WeakPolarHBondContact CA-O 3.43Å; G769-T1689 PolarHBondContact N-O 2.93Å; T770-T1689 HydrophobicContact CG2-CG2 3.35Å; T770-T1689 WeakPolarHBondContact CG2-OG1 3.44Å; T770-T1689 VanDerWaalsContact OG1-CG2 3.23Å; T770-T1689 WeakPolarHBondContact OG1-CG2 3.44Å
1690I27.3Very low30.6Very low126 Ų126103.7 Ų103.765%0.64654%0.542SS*.  trans-151.2166-176.5-141.9164.8000116G769 T770G769-I1690 CarbonylContact O-C 3.59Å; G769-I1690 WeakPolarHBondContact O-CA 3.32Å; T770-I1690 WeakPolarHBondContact CG2-O 3.37Å
1691Q30.3Very low30.4Very low128 Ų128102.9 Ų102.960%0.59853%0.533SS*.  trans-74.1133.5-165.2-71.7-162.1-39.100116.3G769G769-Q1691 WeakPolarHBondContact O-CA 3.27Å; G769-Q1691 WeakPolarHBondContact O-CG 3.19Å; G769-Q1691 PolarHBondContact O-N 3.22Å
1692M31.7Very low30.5Very low93 Ų93104.4 Ų104.446%0.45854%0.536SS..  58.2146.1124.8-51.2-170.4-43.700119.6L772L772-M1692 WeakPolarHBondContact O-CG 3.1Å
1693Q30.6Very low30.7Very low114 Ų114105.9 Ų105.953%0.53355%0.546SS..  cis-146.113919.4-161.9105.614.900111.1H1695Q1693-H1695 WeakPolarHBondContact CG-CD2 3.4Å; Q1693-H1695 WeakPolarHBondContact CG-NE2 3.17Å; Q1693-H1695 PolarHBondContact NE2-NE2 2.97Å
1694Q28.7Very low30.8Very low91 Ų91107.2 Ų107.243%0.42555%0.552SS.*  trans-95112.3171.2-88.1179.7-91.200110.1Q773 K774 H1696Q773-Q1694 CarbonylContact C-O 3.38Å; K774-Q1694 WeakPolarHBondContact CA-O 3.26Å; K774-Q1694 PolarHBondContact N-O 3.04Å; Q1694-H1696 PolarHBondContact NE2-CE1 3.03Å
1695H33.1Very low31.1Very low84 Ų84106.8 Ų106.839%0.38955%0.547SS..  trans-143.2114.8173.5-71.9-127000106.5Q773 K774 E775 Q1693Q773-H1695 PolarHBondContact O-NE2 2.85Å; K774-H1695 PolarHBondContact O-CE1 2.98Å; K774-H1695 PolarHBondContact O-ND1 2.96Å; E775-H1695 PolarHBondContact N-ND1 2.86Å; E775-H1695 VanDerWaalsContact N-ND1 3.18Å; E775-H1695 PolarHBondContact O-ND1 2.95Å; Q1693-H1695 WeakPolarHBondContact CG-CD2 3.4Å; Q1693-H1695 WeakPolarHBondContact CG-NE2 3.17Å; Q1693-H1695 PolarHBondContact NE2-NE2 2.97Å
1696H32Very low31.5Very low98 Ų98109.1 Ų109.145%0.45455%0.546SS..  cis75.6135.67.1-5878.4000112.6K774 E775 E776 Q1694K774-H1696 HydrophobicContact CG-CB 4.16Å; E775-H1696 CarbonylContact C-O 3.17Å; E775-H1696 WeakPolarHBondContact CA-O 3.31Å; E775-H1696 PolarHBondContact N-O 3.34Å; E776-H1696 WeakPolarHBondContact CB-O 3.36Å; E776-H1696 PolarHBondContact N-O 3Å; E776-H1696 VanDerWaalsContact OE1-CA 3.29Å; E776-H1696 WeakPolarHBondContact OE1-CA 3.09Å; E776-H1696 PolarHBondContact OE1-N 3.01Å; Q1694-H1696 PolarHBondContact NE2-CE1 3.03Å
1697D33.7Very low31.7Very low61 Ų61109.4 Ų109.433%0.32655%0.548SS..  cis-153.9143.9-15.3-76-43.3000113K774 E776K774-D1697 WeakPolarHBondContact CE-OD2 3.13Å; K774-D1697 IonicContact NZ-OD2 2.66Å; K774-D1697 PolarHBondContact NZ-OD2 2.79Å; E776-D1697 VanDerWaalsContact CD-N 3.32Å; E776-D1697 PolarHBondContact OE1-N 3.02Å; E776-D1697 VanDerWaalsContact OE2-CA 3.24Å; E776-D1697 WeakPolarHBondContact OE2-CA 3.11Å; E776-D1697 PolarHBondContact OE2-N 3.13Å
1698E32.6Very low31.9Very low158 Ų158108.2 Ų108.274%0.73854%0.541SS*.  trans66.6111148.7-64.617116400122.6E776E776-E1698 PolarHBondContact OE2-N 3.08Å; E776-E1698 VanDerWaalsContact OE2-N 3.09Å
1699H33.4Very low32.2Very low122 Ų122110.9 Ų110.957%0.56555%0.55SS*.  -175.2143.2104.4-117.3-93.8000120
1700V32.1Very low32.4Very low105 Ų105108.9 Ų108.964%0.63653%0.534SS*.  trans-60143.4-178.2-175.60000117.8N1650 S1651N1650-V1700 WeakPolarHBondContact CA-O 3.41Å; N1650-V1700 VanDerWaalsContact N-C 3.29Å; N1650-V1700 PolarHBondContact N-O 2.82Å; S1651-V1700 PolarHBondContact N-O 2.93Å; S1651-V1700 VanDerWaalsContact N-O 3.16Å
1701Q32.2Very low32.7Very low46 Ų46110.3 Ų110.322%0.21554%0.537CS..  143.6113128.8-161.3156.8-10.700118.8I1649 N1650 S1651I1649-Q1701 CarbonylContact C-O 3.41Å; I1649-Q1701 VanDerWaalsContact C-O 3.24Å; I1649-Q1701 CarbonylContact O-C 3.59Å; I1649-Q1701 VanDerWaalsContact O-C 3.22Å; I1649-Q1701 PolarHBondContact O-N 3.4Å; N1650-Q1701 PolarHBondContact N-O 3.26Å; S1651-Q1701 WeakPolarHBondContact O-CB 3.39Å; S1651-Q1701 VanDerWaalsContact O-CG 3.28Å; S1651-Q1701 WeakPolarHBondContact O-CG 3.42Å; S1651-Q1701 PolarHBondContact O-OE1 3.22Å
1702E30.9Very low32.7Very low137 Ų137108.9 Ų108.964%0.6454%0.541SS*.  trans81.2129.8146.4-81.4170.2-140.900126.1
1703C31.8Very low32.7Very low106 Ų106113 Ų11372%0.71656%0.559SS**  trans82.294.1142.9-69.20000123.9
1704E31.3Very low32.7Very low168 Ų168111.4 Ų111.479%0.78557%0.566SS**  78.3137.9122.7-87.8-168-16500124.9
1705H36.2Very low32.7Very low131 Ų131113.5 Ų113.561%0.60658%0.58SS**  trans83.5103.2150.3-80.487.1000123.4
1706Q35.2Very low32.5Very low147 Ų147115.8 Ų115.869%0.68759%0.594SS**  70.7106.6128-76.1179.8-14.100124.2
1707Q34Very low32.3Very low149 Ų149117.4 Ų117.470%0.69661%0.606SS**  77.3143.4116.6-86.4-171.2-92.600124.7
1708D35.5Very low32.1Very low71 Ų71120.9 Ų120.938%0.3862%0.623SS.*  trans89.598.4138.8-71.313000123Q785Q785-D1708 PolarHBondContact NE2-OD2 3.41Å
1709E34.9Very low31.9Very low95 Ų95118.7 Ų118.744%0.44463%0.625SS.*  102.7126.7116-65.4-149.5154.900124.5N1641 D1642N1641-E1709 HydrophobicContact CB-CG 4.26Å; N1641-E1709 WeakPolarHBondContact CB-OE1 3.36Å; N1641-E1709 PolarHBondContact ND2-OE1 3.44Å; N1641-E1709 PolarHBondContact ND2-OE2 2.86Å; D1642-E1709 HydrophobicContact CB-CB 4.47Å; D1642-E1709 HydrophobicContact CB-CG 3.99Å; D1642-E1709 WeakPolarHBondContact OD2-CA 3.27Å; D1642-E1709 WeakPolarHBondContact OD2-CB 3.31Å; D1642-E1709 WeakPolarHBondContact OD2-CG 3.44Å
1710Q32.6Very low31.7Very low57 Ų57118.1 Ų118.127%0.26664%0.635SS.*  trans53.1122.5142.1-110.7179.627.200124.1H1640 N1641 D1642H1640-Q1710 PolarHBondContact CD2-NE2 2.83Å; H1640-Q1710 PolarHBondContact CE1-NE2 2.89Å; H1640-Q1710 PolarHBondContact NE2-NE2 3.25Å; N1641-Q1710 VanDerWaalsContact CG-NE2 3.31Å; N1641-Q1710 VanDerWaalsContact ND2-CD 3.31Å; N1641-Q1710 PolarHBondContact ND2-NE2 3.49Å; N1641-Q1710 PolarHBondContact OD1-NE2 3.25Å; D1642-Q1710 WeakPolarHBondContact OD2-CA 3.43Å; D1642-Q1710 WeakPolarHBondContact OD2-CB 3.46Å; D1642-Q1710 WeakPolarHBondContact OD2-CG 3.37Å; D1642-Q1710 PolarHBondContact OD2-N 3.05Å
1711H33.2Very low31.9Very low156 Ų156118.2 Ų118.272%0.72264%0.637SS**  169.4157.595.6-95.2-50.5000116.5
1712S31.4Very low31.8Very low98 Ų98121.8 Ų121.869%0.68566%0.658SS**  trans62.1114.4159.8-67.10000119.5
1713E30.3Very low31.7Very low178 Ų178125.9 Ų125.983%0.83267%0.668SS**  cis90.314346.2-174.4-175.7-142.600113.5
1714A30.6Very low31.5Very low82 Ų82125.3 Ų125.368%0.67867%0.665SS**  trans70.5137.816600000119
1715D30.3Very low31.4Very low135 Ų135123.8 Ų123.872%0.72267%0.667SS**  cis-159.9155-18.5-126.57.7000114.1
1716L28.7Very low30.9Very low131 Ų131122.7 Ų122.769%0.68667%0.674SS**  13.9144.1129.2-57.5178.7000119.7
1717L28.2Very low30.6Very low133 Ų133120.5 Ų120.570%0.69667%0.672SS**  cis-179-168.1-16.8-128.4-170.7000108.8
1718I28.1Very low30.2Very low133 Ų133120.3 Ų120.368%0.68268%0.676SS**  trans55.9115.8143.5-70.6157000118.3
1719S28.4Very low29.8Very low112 Ų112126.8 Ų126.878%0.78370%0.697SS**  -173.391.1114.3-80.90000113.7
1720S30.8Very low29.3Very low111 Ų111128.8 Ų128.878%0.77671%0.711SS**  trans-61.5167143.4-46.40000109.3
1721P35.2Very low29.1Very low106 Ų106133.6 Ų133.669%0.68874%0.736SS**  -157.1171.889.633.3-10.8000118.5
1722N30.1Very low28.8Very low121 Ų121132 Ų13265%0.64774%0.737SS**  trans94.3136.5159.7-51.2-72.2000117.1
1723R28.9Very low28.6Very low223 Ų223131.3 Ų131.384%0.84273%0.732SS**  cis-164.4155-12-108.6171.8-166.6-142.8-3.1105.5
1724S28.5Very low28.4Very low94 Ų94126.5 Ų126.566%0.65772%0.719SS**  cis-162.2133.16.340.40000112.4
1725V29.1Very low28.4Very low137 Ų137125.4 Ų125.483%0.8370%0.704SS**  74.498.6126.7-179.30000119
1726S25.3Very low28.2Very low108 Ų108124.3 Ų124.376%0.75569%0.694SS**  trans-71.7173.4142.5-41.20000110.2
1727P29.4Very low28Very low100 Ų100123.8 Ų123.865%0.64969%0.688SS**  -152.1146.784.437.7-18.8000117.2Y1729P1727-Y1729 HydrophobicContact CB-CD2 3.96Å; P1727-Y1729 HydrophobicContact CB-CE2 4.15Å
1728N24.2Very low28.2Very low145 Ų145123.9 Ų123.978%0.77569%0.685SS**  trans-76.7138.9141.5-84.8-11.3000108.4
1729Y27.5Very low28.2Very low208 Ų208120.3 Ų120.382%0.81667%0.672SS**  trans-141.8113.4146-86.1-78.3000105.5P1727P1727-Y1729 HydrophobicContact CB-CD2 3.96Å; P1727-Y1729 HydrophobicContact CB-CE2 4.15Å
1730N25.6Very low28.4Very low137 Ų137119.5 Ų119.573%0.73366%0.658SS**  48.4107.767.2-78.79.8000113
1731I26.7Very low28.7Very low158 Ų158123 Ų12381%0.8166%0.662SS**  trans-173.9125.1142.6-101154.8000107.9
1732V27.7Very low28.7Very low121 Ų121122.5 Ų122.573%0.73365%0.651SS**  trans50.6123.2145.6178.90000117.7
1733S27.2Very low29.1Very low84 Ų84123.4 Ų123.459%0.58765%0.651SS**  cis-162.8164.43.1-118.90000109.3
1734S26.3Very low29.6Very low78 Ų78117.7 Ų117.755%0.54563%0.634SS.*  30.1143.991.789.80000116.1
1735T29.4Very low30Very low59 Ų59116.3 Ų116.336%0.36262%0.62SS.*  cis-121.9138-0.411.90000107.1
1736Q26.4Very low30.4Very low111 Ų111114.3 Ų114.352%0.51960%0.599SS.*  59.3144.882.2-69.4-174.5-82.700112.7H1738Q1736-H1738 PolarHBondContact NE2-NE2 2.92Å
1737Q25.6Very low30.8Very low120 Ų120112.7 Ų112.756%0.56158%0.583SS**  35.5129.285.9-29.8167.9-9500111.3
1738H31.4Very low31Very low136 Ų136114 Ų11463%0.6358%0.576SS**  -167.5170.962.7-91.9-58.9000108.3Q1736Q1736-H1738 PolarHBondContact NE2-NE2 2.92Å
1739S29.5Very low31.4Very low58 Ų58112.3 Ų112.341%0.40657%0.57SS.*  cis-146.5179.7-2.824.40000106.6
1740N32.3Very low31.7Very low94 Ų94105.7 Ų105.750%0.50357%0.565SS.*  28.8129.977.86.4-48.9000114.2E1742N1740-E1742 HydrophobicContact CB-CG 3.75Å; N1740-E1742 WeakPolarHBondContact CB-OE1 3.38Å; N1740-E1742 PolarHBondContact ND2-OE1 2.96Å
1741E35.9Very low31.9Very low184 Ų184107 Ų10786%0.8657%0.572SS**  -114.211897.1-85.7150.1-146.600103
1742E36.9Very low32.2Very low97 Ų97106.3 Ų106.345%0.45357%0.57SS.*  83.9113.964.4-75.6149-158.400109.4N1740N1740-E1742 HydrophobicContact CB-CG 3.75Å; N1740-E1742 WeakPolarHBondContact CB-OE1 3.38Å; N1740-E1742 PolarHBondContact ND2-OE1 2.96Å
1743E38.4Very low32.1Very low139 Ų139107.4 Ų107.465%0.6557%0.57SS**  103.9170.690.6-84.7174.2174.800108.9
1744E37.7Very low32.1Very low104 Ų104109 Ų10949%0.48658%0.576SS.*  cis-161.4170.2-3.5-131.8174.5169.400110.9N1490 T1491N1490-E1744 VanDerWaalsContact CB-O 3.22Å; N1490-E1744 WeakPolarHBondContact CB-O 3.36Å; N1490-E1744 VanDerWaalsContact CG-O 3.29Å; N1490-E1744 PolarHBondContact ND2-N 2.78Å; N1490-E1744 PolarHBondContact ND2-O 2.88Å; T1491-E1744 VanDerWaalsContact OG1-C 3.28Å; T1491-E1744 PolarHBondContact OG1-O 2.92Å
1745D38.2Very low31.9Very low65 Ų65110.6 Ų110.635%0.34858%0.582SS.*  trans88.5122.1136.9-81.57.7000124.4N1490 T1491N1490-D1745 CarbonylContact C-O 3.58Å; T1491-D1745 VanDerWaalsContact CB-O 3.24Å; T1491-D1745 WeakPolarHBondContact CB-O 3.41Å; T1491-D1745 PolarHBondContact N-O 2.83Å; T1491-D1745 PolarHBondContact OG1-N 3.34Å; T1491-D1745 VanDerWaalsContact OG1-N 3.12Å; T1491-D1745 PolarHBondContact OG1-O 2.91Å
1746K37.5Very low31.8Very low94 Ų94117.5 Ų117.541%0.40960%0.603SS.*  trans60.7144.9132.8-7689.9-149.3130.70121.2T1491 E1492T1491-K1746 PolarHBondContact N-O 3.47Å; T1491-K1746 VanDerWaalsContact N-O 3.08Å; T1491-K1746 CarbonylContact O-C 3.46Å; E1492-K1746 VanDerWaalsContact CD-NZ 3.32Å; E1492-K1746 IonicContact OE1-NZ 3.23Å; E1492-K1746 PolarHBondContact OE1-NZ 3.07Å; E1492-K1746 VanDerWaalsContact OE1-NZ 3.09Å; E1492-K1746 WeakPolarHBondContact OE2-CA 3.02Å; E1492-K1746 VanDerWaalsContact OE2-CD 3.27Å; E1492-K1746 WeakPolarHBondContact OE2-CD 3.39Å; E1492-K1746 WeakPolarHBondContact OE2-CE 3.42Å; E1492-K1746 WeakPolarHBondContact OE2-CG 3.34Å; E1492-K1746 PolarHBondContact OE2-N 3.24Å; E1492-K1746 IonicContact OE2-NZ 3.34Å; E1492-K1746 PolarHBondContact OE2-NZ 2.85Å
1747D33.8Very low31.7Very low75 Ų75119.1 Ų119.140%0.40161%0.61SS.*  cis-168.5162.1-9-116.6-16.6000115.7T1491 Y1493 D1494T1491-D1747 PolarHBondContact O-N 2.68Å; Y1493-D1747 CarbonylContact O-C 3.58Å; Y1493-D1747 VanDerWaalsContact O-C 3.31Å; Y1493-D1747 WeakPolarHBondContact O-CA 3.41Å; D1494-D1747 PolarHBondContact N-OD1 3.12Å
1748Y34Very low31.7Very low128 Ų128118.8 Ų118.850%0.50261%0.613SS.*  trans69.4150.4146.8-74.7-155.8000121.2Y1493 E1495 S1496Y1493-Y1748 PolarHBondContact O-N 2.94Å; E1495-Y1748 WeakPolarHBondContact O-CE2 3.26Å; E1495-Y1748 PolarHBondContact O-OH 3.15Å; S1496-Y1748 VanDerWaalsContact CB-OH 3.26Å; S1496-Y1748 WeakPolarHBondContact CB-OH 3.5Å; S1496-Y1748 VanDerWaalsContact OG-CE1 3.22Å; S1496-Y1748 WeakPolarHBondContact OG-CE1 3.33Å; S1496-Y1748 PolarHBondContact OG-OH 3.32Å
1749V32.6Very low31.5Very low109 Ų109118.9 Ų118.966%0.66162%0.617SS**  cis110.8126.410.8171.10000115.6
1750G32.4Very low31.3Very low68 Ų68119.6 Ų119.670%0.70163%0.627SS**  trans153.7103.3162.400000120.9
1751D30.6Very low31Very low164 Ų164121.1 Ų121.188%0.87764%0.639SS**  trans48.8167.3136-64.7-19.1000127.9
1752D33.1Very low30.5Very low145 Ų145118.2 Ų118.278%0.77563%0.629SS**  trans66.5135.7173.4-69.7-26.1000121
1753I25.1Very low29.9Very low143 Ų143120.2 Ų120.273%0.73364%0.64SS**  cis114.1130.68.2-67.8174.3000114.9
1754V26.1Very low29.3Very low117 Ų117118.8 Ų118.871%0.70964%0.636SS**  trans65.2109171.4164.20000116
1755V23.6Very low28.8Very low113 Ų113120 Ų12069%0.68564%0.64SS**  81.814563179.70000113.7
1756Y26.7Very low28.3Very low203 Ų203123.9 Ų123.980%0.79666%0.656SS**  trans77.4144.6-173.7-61.9-84.3000116.6
1757H25.4Very low28Very low146 Ų146124.1 Ų124.168%0.67667%0.67SS**  cis-168.6162.4-35.7-136.5-86.9000108.6
1758N25Very low27.7Very low113 Ų113127.5 Ų127.560%0.60468%0.683SS**  trans67.9142.8149.7-98.736000122
1759D26.9Very low27.5Very low137 Ų137127.7 Ų127.773%0.73369%0.691SS**  trans75.8141.9140.9-58.8-22000122.2
1760A25.5Very low27.4Very low74 Ų74128.4 Ų128.461%0.61269%0.692SS**  cis-171.7164.7-25.300000110.7
1761V24.9Very low27.2Very low125 Ų125131.3 Ų131.376%0.75869%0.69SS**  68116.2128.5147.20000120.3
1762I25.3Very low27.3Very low124 Ų124130.1 Ų130.164%0.63668%0.679SS**  97.897.5128.1-75.7-169.2000120.9
1763M24.7Very low27.2Very low138 Ų138130.1 Ų130.168%0.6868%0.675SS**  86.4149.7113.5-75.1-153.2-61.100123.3
1764N25.8Very low27.4Very low109 Ų109128.3 Ų128.358%0.58367%0.666SS**  trans80.9146.2138-76.5-9.2000118.1
1765K27.5Very low27.7Very low131 Ų131128.7 Ų128.757%0.5766%0.66SS**  cis-165153.13.2-128160.2169.3-96.50111.3
1766E28Very low28.1Very low145 Ų145129.5 Ų129.568%0.67866%0.656SS**  trans60.3159.3148.2-74.8149.8176.900116.3
1767S30Very low28.2Very low99 Ų99127.4 Ų127.469%0.69265%0.648SS**  cis-159.215913.9490000108.6
1768E29.6Very low28.4Very low147 Ų147125.7 Ų125.769%0.68764%0.641SS**  cis-176.9149.9-11.1-105.6-179.7129.100106.6
1769I28.7Very low28.5Very low131 Ų131126.3 Ų126.367%0.67264%0.64SS**  trans65.8135.2138.8-64.4172.3000117
1770D30Very low28.5Very low125 Ų125127.4 Ų127.467%0.66864%0.638SS**  cis-150.2144.141.6-134.9-20.8000113.5
1771L29.6Very low28.5Very low128 Ų128129.7 Ų129.767%0.6764%0.64SS**  trans25142142.2-8542.7000121.8
1772H32Very low28.9Very low140 Ų140130 Ų13065%0.64864%0.642SS**  cis-161.1141.419.5-107.2-64.7000112.6
1773Q29.9Very low28.9Very low145 Ų145131.1 Ų131.168%0.67865%0.649SS**  trans57.9138.3142.9-65.9178.3-101.800121.2
1774D31.2Very low29Very low104 Ų104129.6 Ų129.656%0.55664%0.641SS**  cis-157.1133.41.3-115.7-37.9000113.2
1775Q31.3Very low29Very low125 Ų125132.3 Ų132.358%0.58465%0.647SS**  trans55.8141.6148.7-66160.565.600122.9
1776H31.4Very low29.1Very low131 Ų131132.9 Ų132.961%0.60666%0.656SS**  cis-169.7136.1-36.9-118.3-74000109.9
1777Y29.4Very low29Very low158 Ų158129 Ų12962%0.6264%0.639SS**  trans15.5154.9131.3-69.3-92.3000121.6
1778Q28.8Very low28.7Very low111 Ų111129.7 Ų129.752%0.51964%0.635SS.*  cis-155.4152.934.2-130.8146.643.600109.2K1432 S1433K1432-Q1778 PolarHBondContact O-OE1 3.15Å; S1433-Q1778 PolarHBondContact O-OE1 2.62Å
1779Q28.1Very low28.5Very low126 Ų126128.2 Ų128.259%0.58963%0.632SS**  cis71.9129.242.8159.8121.251.500113
1780F26Very low28.2Very low159 Ų159125.7 Ų125.770%0.69763%0.626SS**  cis-166.5-174.8-9-126.5-102.7000107.7
1781D26.7Very low27.9Very low122 Ų122126 Ų12665%0.65263%0.633SS**  trans53.9126.1152.2-67.3-38.9000120.9
1782V32.7Very low27.6Very low133 Ų133125.3 Ų125.381%0.80663%0.629SS**  70.711562.1175.40000112.8
1783D24.7Very low27.2Very low146 Ų146123.9 Ų123.978%0.78163%0.626SS**  trans-153.3166.4157.5-141.1-17.6000112.2
1784E26.9Very low27Very low107 Ų107126.7 Ų126.750%0.563%0.631SS.*  trans-61.9170.2-163.3-52.6-179.8122.900118.9
1785K27.1Very low26.7Very low165 Ų165130 Ų13072%0.71764%0.64SS**  trans103.8133.6156.1-62141.5-163.5144.80115.5
1786L29.6Very low26.3Very low143 Ų143128.5 Ų128.575%0.74964%0.644SS**  cis-142.4119.3-14-89.6148.8000105.1
1787L25.5Very low26Very low63 Ų63129 Ų12933%0.3365%0.651SS.*  65.7103.580.2-168.7138.4000114.2S503S503-L1787 WeakPolarHBondContact OG-CD2 3.16Å
1788N24Very low25.9Very low115 Ų115131.3 Ų131.362%0.61566%0.66SS**  trans53.9155148.5-62.3-6.8000121.3
1789N24.5Very low25.6Very low116 Ų116131.1 Ų131.162%0.6267%0.671SS**  trans65.3129.8155.4-63.6-22.2000117
1790S23.2Very low25.5Very low78 Ų78132.1 Ų132.155%0.54568%0.68SS.*  cis165.7116.2-7.943.30000103.3
1791T23.2Very low25.6Very low132 Ų132129.2 Ų129.281%0.8168%0.68SS**  trans68.3167.8144.8-35.80000117.3
1792L23.9Very low25.5Very low113 Ų113129.8 Ų129.859%0.59269%0.688SS**  trans81.1115.6144.5-141.383.3000117.9
1793N24Very low25.3Very low110 Ų110131.4 Ų131.459%0.58869%0.686SS**  trans70.6144.9155.4-67.9-30.3000117.3
1794R26.1Very low25.4Very low203 Ų203131.8 Ų131.877%0.76668%0.683SS**  cis-139.6134.50.7-112.3146.7-179.7-175.5-1.8108.1
1795F24.4Very low25.4Very low174 Ų174133.3 Ų133.376%0.76369%0.69SS**  43.7103.3102.7-80.7-90.3000114.4
1796S23.3Very low25.5Very low93 Ų93132.1 Ų132.165%0.6569%0.687SS**  37.1111.5126.964.10000117.6
1797N24.8Very low25.3Very low143 Ų143130.8 Ų130.877%0.76568%0.677SS**  trans-154.7132134-107.1-20.6000112
1798Y26.8Very low25.5Very low205 Ų205134.6 Ų134.680%0.80470%0.702SS**  trans51.9106.1160.7-70.5-89.7000119.7N1800Y1798-N1800 PolarHBondContact O-N 2.85Å
1799S23.2Very low25.6Very low107 Ų107136.5 Ų136.575%0.74870%0.702SS**  trans-45.8127.5138-33.60000110.6
1800N25.4Very low25.8Very low147 Ų147137.1 Ų137.179%0.78672%0.715SS**  trans-177.3142.3131.2-94.7-22.1000113.1Y1798Y1798-N1800 PolarHBondContact O-N 2.85Å
1801S27.5Very low25.9Very low99 Ų99141.2 Ų141.269%0.69273%0.726SS**  trans57.591.9145.4-54.40000120.8
1802V25.6Very low26.1Very low134 Ų134142.9 Ų142.981%0.81273%0.728SS**  53.4106.5100.8175.40000117.7
1803H27.2Very low26.4Very low167 Ų167142.8 Ų142.877%0.77373%0.734SS**  112145.6127.8-124.547.7000121.7
1804Q27.2Very low26.5Very low154 Ų154144.7 Ų144.772%0.7275%0.75SS**  trans67.3154.4172.5-44-179.67.800113.9
1805Q27.6Very low26.6Very low139 Ų139142.8 Ų142.865%0.6576%0.755SS**  cis-141.3166.620.4-79.6-174.9-8.600109.9
1806H28.1Very low26.8Very low139 Ų139141.1 Ų141.164%0.64475%0.754SS**  cis-162.9153.2-1.1-115.8165.4000111.9
1807H27Very low27Very low116 Ų116142 Ų14254%0.53776%0.76SS.*  trans58.6151.9151.8-61.2-42.4000119Y1809H1807-Y1809 AromaticContact CE1-CE2 3.44Å; H1807-Y1809 VanDerWaalsContact CE1-CE2 3.44Å; H1807-Y1809 WeakPolarHBondContact CE1-CE2 2.92Å; H1807-Y1809 AromaticContact CE1-CZ 3.85Å; H1807-Y1809 AromaticContact ND1-CD2 3.87Å; H1807-Y1809 AromaticContact ND1-CE2 3.34Å; H1807-Y1809 VanDerWaalsContact ND1-CE2 3.34Å; H1807-Y1809 WeakPolarHBondContact ND1-CE2 3.49Å
1808V29.1Very low27.3Very low143 Ų143139.6 Ų139.687%0.86776%0.76SS**  cis-120.9165.531.4177.40000113.5
1809Y26.5Very low27.3Very low154 Ų154138.3 Ų138.360%0.60476%0.762SS**  trans-82.3158-164.8-76-109.7000116.5H1807 E1811H1807-Y1809 AromaticContact CE1-CE2 3.44Å; H1807-Y1809 VanDerWaalsContact CE1-CE2 3.44Å; H1807-Y1809 WeakPolarHBondContact CE1-CE2 2.92Å; H1807-Y1809 AromaticContact CE1-CZ 3.85Å; H1807-Y1809 AromaticContact ND1-CD2 3.87Å; H1807-Y1809 AromaticContact ND1-CE2 3.34Å; H1807-Y1809 VanDerWaalsContact ND1-CE2 3.34Å; H1807-Y1809 WeakPolarHBondContact ND1-CE2 3.49Å; Y1809-E1811 HydrophobicContact CD1-CG 4.23Å
1810S28Very low27.6Very low129 Ų129138.4 Ų138.490%0.90276%0.758SS**  -151.6147.1128.4-77.70000110
1811E25.6Very low27.8Very low165 Ų165138.7 Ų138.777%0.77176%0.756SS**  trans-111151.6-165.8-57172.7126.800112.6Y1809Y1809-E1811 HydrophobicContact CD1-CG 4.23Å
1812I27.8Very low27.8Very low166 Ų166141.9 Ų141.985%0.85176%0.762SS**  trans-136127.5156.5-60.4-176.4000107.2
1813P29.1Very low28.3Very low112 Ų112139.6 Ų139.673%0.72775%0.75SS**  trans-84.7159.2-165.133.2-37.2000114.5
1814T25.5Very low28.3Very low150 Ų150141.8 Ų141.892%0.9275%0.751SS**  trans-96.6125.2153.3-140000107.1
1815D29.8Very low28.3Very low162 Ų162141.1 Ų141.187%0.86675%0.75SS**  trans-120.2143.8-178.9-167.217.6000110.6
1816D28.9Very low28.3Very low140 Ų140139 Ų13975%0.74975%0.747SS**  trans-135.8115.5-154.6-159.24.5000113.6
1817S27.1Very low28.2Very low110 Ų110139.4 Ų139.477%0.76975%0.751SS**  trans64.1118.616477.10000119.9
1818A29.4Very low28.2Very low93 Ų93141.8 Ų141.877%0.76976%0.764SS**  -173.9143128.700000113.8
1819E28.8Very low28.1Very low179 Ų179142.6 Ų142.684%0.83676%0.76SS**  trans9.1141.3150.7-48.4-167.8135.800120
1820T29.1Very low27.9Very low108 Ų108139.2 Ų139.266%0.66376%0.759SS**  cis-168.515039.7-23.70000113.3
1821M28.1Very low27.8Very low153 Ų153139 Ų13975%0.75475%0.753SS**  trans45106.2147-81.2175-165.500120.6
1822M28.5Very low27.8Very low166 Ų166137.4 Ų137.482%0.81875%0.749SS**  88.1151.979.4-87.7-157.2-160.500115.3
1823P35.6Very low27.7Very low87 Ų87134.7 Ų134.757%0.56574%0.74SS**  cis-145-169.1-26.640.3-22.3000114.2
1824R27.3Very low27.5Very low212 Ų212136.1 Ų136.180%0.874%0.742SS**  trans75.3149.7147.9-83.8-168.1173.1111.34.8117.3
1825M26.6Very low27.7Very low141 Ų141134.2 Ų134.270%0.69573%0.73SS**  cis-175.5158.3-15.5-141.4167.3169.600104.8
1826T28.2Very low27.4Very low94 Ų94133 Ų13358%0.57772%0.724SS**  cis-170.8152.830.9-34.30000109.4
1827M27.1Very low27.3Very low147 Ų147132.1 Ų132.172%0.72472%0.719SS**  trans38.5120.7152.1-68.9163.5-175.600120.1
1828M25.9Very low27.2Very low166 Ų166132.8 Ų132.882%0.81871%0.713SS**  68.2151.259.2-65.1178.3151.900115.8
1829M26.7Very low27Very low161 Ų161134.1 Ų134.179%0.79371%0.708SS**  trans82.7139.6161.7-57.5-163.6-179.900117.3
1830S23.6Very low26.9Very low83 Ų83131.5 Ų131.558%0.5870%0.699SS**  cis-177.4156.4-12.7-101.60000109.2
1831T25.6Very low26.8Very low124 Ų124132.1 Ų132.176%0.76170%0.699SS**  trans64.4171.8149.864.70000115.9
1832N24.4Very low26.8Very low131 Ų131130.2 Ų130.270%0.70169%0.692SS**  cis-159151-0.7-133-1.3000111.3
1833V26.9Very low26.8Very low110 Ų110127.8 Ų127.867%0.66768%0.682SS**  trans61.2144.8130.9163.40000122.6
1834D24.9Very low26.5Very low141 Ų141129 Ų12975%0.75468%0.684SS**  trans100144.7144.4-101.5-20.7000124.4
1835V28.9Very low26.5Very low111 Ų111124.4 Ų124.467%0.67368%0.675SS**  trans60.7104.9146.8168.50000117.9
1836N24.8Very low26.6Very low137 Ų137125.2 Ų125.273%0.73368%0.677SS**  77.4125.560.8-178.636000114.5
1837N24.9Very low26.9Very low120 Ų120127.7 Ų127.764%0.64269%0.685SS**  trans79.3141157.2-146.64.7000118.7
1838N25Very low27Very low124 Ų124125.2 Ų125.266%0.66368%0.678SS**  trans52.8107.9150.8-87.7-30.1000120.5
1839N25.7Very low27.3Very low122 Ų122123.3 Ų123.365%0.65267%0.672SS**  62.2115.799.4-171.129.5000117.9
1840N26.5Very low27.4Very low123 Ų123121.4 Ų121.466%0.65867%0.665SS**  trans72128.6150.2-93.4-9.6000118.9
1841N27.8Very low27.5Very low121 Ų121122.7 Ų122.765%0.64767%0.669SS**  83.6143.8126.6-81-2.6000120.4
1842N28.6Very low27.5Very low114 Ų114122 Ų12261%0.6167%0.665SS**  trans86.2114.9131.7-80.317.3000118.9
1843N28.2Very low27.5Very low115 Ų115121.3 Ų121.362%0.61567%0.666SS**  87.7145.2115-67.714.8000117.1
1844N28.3Very low27.4Very low113 Ų113121.6 Ų121.660%0.60467%0.668SS**  cis-165.5169.4-4.9-1227.6000111.9
1845N28.3Very low27.6Very low114 Ų114120.9 Ų120.961%0.6167%0.669SS**  trans67.2154.3155.6-62.13.6000114
1846E29Very low27.6Very low159 Ų159122 Ų12274%0.74367%0.671SS**SBendcis-138.6134.414.5-137.7147.4-133.200105.7
1847I34.3Very low27.8Very low146 Ų146118.6 Ų118.675%0.74967%0.668SS**SBend-154.2103.153.2-82.7167000107.7
1848T28.2Very low28Very low94 Ų94116.1 Ų116.158%0.57766%0.655SS**  58.8136.510864.30000116.9
1849N31.8Very low28Very low126 Ų126113 Ų11367%0.67464%0.643SS**  cis-165.6176.35.3-116.534.9000107.4
1850D28.7Very low28Very low121 Ų121114.8 Ų114.865%0.64765%0.647SS**  cis-145.3162.12.4-99.3-57.7000106.2
1851T26.4Very low28.2Very low110 Ų110114.2 Ų114.268%0.67565%0.647SS**  cis77.7122.442.3-48.10000111.6
1852T25.5Very low28.1Very low111 Ų111114.7 Ų114.768%0.68165%0.65SS**  cis-172.5149.543.5-15.60000115.8
1853T23.9Very low28.5Very low115 Ų115117.3 Ų117.371%0.70666%0.663SS**  trans60.9116.8141.349.10000128
1854T24.9Very low28.3Very low117 Ų117118.8 Ų118.872%0.71867%0.666SS**  69.3130123.663.10000127.7
1855T29.1Very low28.1Very low125 Ų125119.7 Ų119.777%0.76767%0.667SS**  trans81.7120.9138.348.70000125.3
1856N29.6Very low27.8Very low136 Ų136121.2 Ų121.273%0.72767%0.67SS**  trans55.8111.7147.8-70.64.4000123.2N1869N1856-N1869 WeakPolarHBondContact O-CA 3.36Å; N1856-N1869 WeakPolarHBondContact O-CB 3.48Å; N1856-N1869 VanDerWaalsContact O-CG 3.27Å; N1856-N1869 PolarHBondContact O-OD1 2.85Å
1857G28.2Very low27.5Very low64 Ų64120.8 Ų120.866%0.6666%0.663SS**  121.8-159.4127.700000119.1
1858N29.2Very low27.2Very low69 Ų69120 Ų12037%0.36965%0.654SS.*  trans-138.2158.3-141.4156.3114.7000115.9F1868 N1869 G1870 N1871N1858-F1868 CarbonylContact C-O 3.57Å; N1858-F1868 CarbonylContact O-C 3.46Å; N1858-N1869 VanDerWaalsContact N-C 3.3Å; N1858-N1869 VanDerWaalsContact N-CA 3.27Å; N1858-N1869 CarbonylContact O-C 3.59Å; N1858-N1869 PolarHBondContact O-N 2.94Å; N1858-G1870 CarbonylContact C-O 3.52Å; N1858-G1870 VanDerWaalsContact CB-O 3.29Å; N1858-G1870 WeakPolarHBondContact CB-O 3.36Å; N1858-G1870 VanDerWaalsContact N-N 3.11Å; N1858-G1870 PolarHBondContact ND2-O 2.8Å; N1858-N1871 WeakPolarHBondContact ND2-CA 3.37Å; N1858-N1871 PolarHBondContact ND2-O 2.81Å
1859S25.3Very low27.1Very low58 Ų58119.8 Ų119.841%0.40665%0.649SS.*  trans71.4134.216667.80000121.5
1860H26.2Very low26.8Very low160 Ų160114.7 Ų114.774%0.74163%0.627SS**  trans74.6105.1149.6-136.1-76.9000118.9
1861V29.9Very low26.7Very low110 Ų110114.5 Ų114.567%0.66763%0.626SS**  trans14.9123.1137.9-177.50000116.7
1862N27.5Very low26.7Very low132 Ų132112.9 Ų112.971%0.70662%0.616SS**  -158.1157.8116.9-106.1-61.8000114.4
1863L36.7Very low26.8Very low169 Ų169114.7 Ų114.789%0.88562%0.62SS**SBendtrans-69.4131.9151.3177.592.9000106.4
1864E22.5Very low26.9Very low145 Ų145118.1 Ų118.168%0.67862%0.622SS**SBendtrans73.1149.9-166.4-153.4-166.2-109.900112.4
1865Q25.3Very low26.8Very low133 Ų133119.3 Ų119.362%0.62162%0.619SS**  trans73.3139.7174.9-51.9176.845.200112.5Y1867Q1865-Y1867 HydrophobicContact CB-CD2 4.47Å
1866Q21Very low26.6Very low146 Ų146118 Ų11868%0.68261%0.61SS**  54.4137.961.4-71.1-166.5-26.500113.5
1867Y23.2Very low26.4Very low150 Ų150116.9 Ų116.959%0.58861%0.605SS**  trans61.9169.1177.8-28.8-84000113.9Q1865Q1865-Y1867 HydrophobicContact CB-CD2 4.47Å
1868F27.8Very low26.4Very low129 Ų129120 Ų12057%0.56661%0.607SS**  cis-117.8148.9-22-102-67.4000105.8N1858N1858-F1868 CarbonylContact C-O 3.57Å; N1858-F1868 CarbonylContact O-C 3.46Å
1869N26.1Very low26.2Very low89 Ų89122.2 Ų122.248%0.47662%0.618SS.*  cis64.611529.1-169.89.9000116.5N1856 N1858N1856-N1869 WeakPolarHBondContact O-CA 3.36Å; N1856-N1869 WeakPolarHBondContact O-CB 3.48Å; N1856-N1869 VanDerWaalsContact O-CG 3.27Å; N1856-N1869 PolarHBondContact O-OD1 2.85Å; N1858-N1869 VanDerWaalsContact N-C 3.3Å; N1858-N1869 VanDerWaalsContact N-CA 3.27Å; N1858-N1869 CarbonylContact O-C 3.59Å; N1858-N1869 PolarHBondContact O-N 2.94Å
1870G26.3Very low26.3Very low20 Ų20126 Ų12621%0.20663%0.633CS.*  trans68163.9175.400000116.4N1858N1858-G1870 CarbonylContact C-O 3.52Å; N1858-G1870 VanDerWaalsContact CB-O 3.29Å; N1858-G1870 WeakPolarHBondContact CB-O 3.36Å; N1858-G1870 VanDerWaalsContact N-N 3.11Å; N1858-G1870 PolarHBondContact ND2-O 2.8Å
1871N26.9Very low26.3Very low116 Ų116124.1 Ų124.162%0.6263%0.628SS**  trans103.445172.3-51.3-37.9000116N1858N1858-N1871 WeakPolarHBondContact ND2-CA 3.37Å; N1858-N1871 PolarHBondContact ND2-O 2.81Å
1872T26.1Very low26.2Very low77 Ų77123.9 Ų123.947%0.47262%0.624SS.*  76.4107.967.2-58.30000110.5Y1874T1872-Y1874 PolarHBondContact O-N 3.01Å
1873I28.1Very low26.2Very low149 Ų149123.9 Ų123.976%0.76462%0.622SS**  36.178.8116.1-45.4154.8000113.3
1874Y25Very low25.7Very low187 Ų187120.9 Ų120.973%0.73361%0.607SS**  trans-114.1105.2138.1-81.4-88000105.6T1872T1872-Y1874 PolarHBondContact O-N 3.01Å
1875Q23.9Very low26.2Very low142 Ų142120.4 Ų120.466%0.66461%0.605SS**  75.912491.2-79-168.82.800110.1
1876T24.3Very low26.2Very low96 Ų96118.4 Ų118.459%0.58961%0.605SS**  cis-153.6178.59.912.70000110.1
1877N24.5Very low26.6Very low113 Ų113117.4 Ų117.460%0.60460%0.602SS**  -6.2148.1119.6-3.2-30.7000115.4N1879N1877-N1879 HydrophobicContact CB-CB 4.42Å
1878D28.1Very low26.7Very low131 Ų131118.2 Ų118.270%0.70161%0.611SS**  cis-126.7135.421.9-80.8-70.5000110.8
1879N26Very low26.6Very low114 Ų114117.5 Ų117.561%0.6161%0.612SS**  cis65.8131.445.1-175.740.1000111.5N1877N1877-N1879 HydrophobicContact CB-CB 4.42Å
1880L26.2Very low27.1Very low137 Ų137120 Ų12072%0.71763%0.631SS**  trans60.6168.9171.6-74.9164.4000116.1
1881N26.8Very low27.1Very low121 Ų121124 Ų12465%0.64765%0.652SS**  trans53.4123.3153.2-72.543.8000119
1882D27.4Very low26.9Very low106 Ų106123.9 Ų123.957%0.56766%0.656SS**  cis-154.2144.214.5-103.5-24.4000110.2
1883I27.9Very low26.8Very low132 Ų132125.4 Ų125.468%0.67767%0.666SS**  57.5117.187.2-78.8-177.1000110
1884D26.9Very low26.6Very low105 Ų105124.7 Ų124.756%0.56166%0.663SS**  cis-167.8172.39.9-134.3-33.7000115.4
1885H31.5Very low26.7Very low136 Ų136123.4 Ų123.463%0.6366%0.664SS**  trans70135.9152.1-63.9-7.8000114.8M1887H1885-M1887 HydrophobicContact CB-CE 4.42Å
1886S27Very low26.7Very low90 Ų90124.3 Ų124.363%0.62967%0.667SS**  60.3135.753.5-152.60000110
1887M28.2Very low26.8Very low126 Ų126125.4 Ų125.462%0.62167%0.669SS**  cis-130.6141.930.3-111.2130-8000108.5H1885H1885-M1887 HydrophobicContact CB-CE 4.42Å
1888H26.1Very low26.8Very low166 Ų166127 Ų12777%0.76967%0.673SS**  69.616374.1-153.9-55.2000111.3
1889I26.1Very low26.7Very low115 Ų115126.4 Ų126.459%0.5967%0.67SS**  trans79.593.9166.1-47.4155.2000114.2P1891I1889-P1891 HydrophobicContact CG2-CG 4.15Å; I1889-P1891 WeakPolarHBondContact O-CD 3.41Å
1890T36.2Very low26.6Very low142 Ų142125.9 Ų125.987%0.87168%0.675SS**  trans-57135.5140.825.80000110.2
1891P26.3Very low26.6Very low102 Ų102125.6 Ų125.666%0.66267%0.674SS**  trans-143.1135.3140.133.5-16000115.2I1889I1889-P1891 HydrophobicContact CG2-CG 4.15Å; I1889-P1891 WeakPolarHBondContact O-CD 3.41Å
1892T22.7Very low26.6Very low115 Ų115125.2 Ų125.271%0.70668%0.681SS**  trans-7.1136.1140.455.80000118.8
1893T24.2Very low26.6Very low109 Ų109123.7 Ų123.767%0.66968%0.683SS**  trans56128.6138.6620000120
1894N23.4Very low26.3Very low134 Ų134128.7 Ų128.772%0.71770%0.695SS**  176.7157.797.6-94.1-58.7000116
1895H26.3Very low26.2Very low159 Ų159128.9 Ų128.974%0.73670%0.7SS**  trans-20.6152.3166.8-63-81000122.6
1896H25.4Very low25.9Very low161 Ų161129.8 Ų129.875%0.74571%0.71SS**  trans87.9120.6132.7-97.7-5000121.9
1897L26.1Very low25.8Very low120 Ų120128.2 Ų128.263%0.62871%0.708SS**  77.4127.9129.2-71.8169.5000121.4
1898Q25.1Very low25.7Very low145 Ų145132 Ų13268%0.67872%0.717SS**  trans83.5123138.5-74.6-176.5-98.900120.6
1899D24.4Very low25.6Very low120 Ų120129.1 Ų129.164%0.64271%0.707SS**  58.3125.5128-45.1-19.1000120.5
1900S24.9Very low25.5Very low103 Ų103125.9 Ų125.972%0.7269%0.692SS**  trans69.1152.6138.8-71.70000119.3
1901D26.8Very low25.5Very low131 Ų131124.5 Ų124.570%0.70168%0.684SS**  cis-163.5145.9-14.2-115.7-47.4000110.1
1902S26.6Very low25.6Very low113 Ų113123.4 Ų123.479%0.7968%0.677SS**  trans62.2175.8153.581.80000117.5
1903A26.1Very low25.8Very low73 Ų73125 Ų12560%0.60368%0.681SS**  cis-148148.7-2.300000111.4
1904Y23Very low25.9Very low237 Ų237123.6 Ų123.693%0.92969%0.687SS**  trans-102.990.2154.5-131.9-78.8000108.6
1905T24.5Very low26Very low110 Ų110122.9 Ų122.968%0.67568%0.684SS**  trans169.8130.816521.90000106.8
1906N24.6Very low26Very low155 Ų155122.5 Ų122.583%0.82968%0.682SS**  cis-140.3173.817.7-71.1-66.7000111.8
1907G25.9Very low26Very low57 Ų57123.3 Ų123.359%0.58868%0.683SS**  trans105.775.4159.300000114.5
1908Y24.3Very low26Very low205 Ų205122.1 Ų122.180%0.80469%0.686SS**  54.1101.662.9-103.3-55.4000114.5
1909N24.5Very low25.9Very low106 Ų106121.4 Ų121.457%0.56769%0.686SS**  122126107.3-140.2-2.8000119.4L589L589-N1909 WeakPolarHBondContact CB-O 3.35Å
1910V24.1Very low26Very low46 Ų46122.3 Ų122.328%0.27969%0.69SS.*  trans79.6141.6160.2-159.30000118.7R587 P588 L589R587-V1910 HydrophobicContact CG-CB 4.27Å; R587-V1910 HydrophobicContact CG-CG1 4.12Å; P588-V1910 HydrophobicContact CB-CB 4.11Å; P588-V1910 HydrophobicContact CB-CG1 4.18Å; P588-V1910 WeakPolarHBondContact CB-O 3.24Å; L589-V1910 CarbonylContact C-O 3.25Å; L589-V1910 WeakPolarHBondContact CA-O 3.4Å; L589-V1910 PolarHBondContact N-O 2.89Å
1911V35.9Very low26Very low114 Ų114126.7 Ų126.769%0.69170%0.697SS**  trans-105.7165.1-178.8170.80000112.5P588P588-V1911 WeakPolarHBondContact CG-O 3.33Å
1912P29.7Very low26Very low79 Ų79124 Ų12451%0.51369%0.693SS.*  trans-133.8134.7145.839.2-24.8000115.1P588P588-P1912 HydrophobicContact CB-CG 4.46Å; P588-P1912 HydrophobicContact CG-CB 3.78Å; P588-P1912 HydrophobicContact CG-CG 3.53Å
1913N26.1Very low26Very low149 Ų149122.9 Ų122.980%0.79769%0.685SS**  trans1.5135.4140.4-45.89.4000118.3
1914G26Very low26.1Very low78 Ų78125.6 Ų125.680%0.80469%0.689SS**  trans-159.737.6173.600000114.6
1915N26.2Very low26.5Very low119 Ų119117.9 Ų117.964%0.63666%0.663SS**  trans-34.6135.8-178.9-48.30.4000114.6
1916H26.7Very low26.7Very low152 Ų152117.6 Ų117.670%0.70466%0.657SS**  -180134.789.9-96.2-74.7000112.4
1917F24.8Very low26.9Very low177 Ų177114.9 Ų114.978%0.77664%0.64SS**  10.8135.8117.5-67.7-95.9000115.6
1918S25.1Very low26.9Very low96 Ų96118.7 Ų118.767%0.67165%0.646SS**  -177.6146.752.340.70000113.9
1919N24.8Very low27.1Very low130 Ų130116.2 Ų116.270%0.69564%0.642SS**  trans74.5128130.7-69.710.5000123.6
1920L25.7Very low27.1Very low138 Ų138117.5 Ų117.572%0.72365%0.649SS**  trans82.3115131.1-71.2166.6000121.3
1921K25.2Very low27.1Very low196 Ų196123.2 Ų123.285%0.85267%0.673SS**  trans65.5156.3137.5-70.4-170.3173.1-1610117.5
1922A26.6Very low26.7Very low75 Ų75121.2 Ų121.262%0.6266%0.658SS**  cis-144.3130.3-3.700000106.1
1923S27.1Very low26.8Very low89 Ų89124.2 Ų124.262%0.62267%0.665SS**  84.5151.980.674.20000113.7
1924D27.9Very low26.8Very low129 Ų129121.7 Ų121.769%0.6966%0.659SS**  trans76.7142.5155.5-45.9-36.4000119.8
1925I31.9Very low26.9Very low75 Ų75125.9 Ų125.939%0.38566%0.658SS.*  cis-163.8150.6-34.8-127.2168.3000109.4
1926N28.3Very low26.9Very low104 Ų104126.9 Ų126.956%0.55666%0.659SS**  trans38.3174.1156.6-57.70.3000123.6
1927E27.5Very low26.9Very low98 Ų98125.4 Ų125.446%0.45866%0.656SS.*  trans66.2139.5140.1-79146.2-118.900118.7M1073M1073-E1927 HydrophobicContact CE-CB 3.9Å; M1073-E1927 VanDerWaalsContact CG-OE2 3.26Å; M1073-E1927 WeakPolarHBondContact CG-OE2 3.43Å
1928D27.1Very low27Very low137 Ų137125.5 Ų125.573%0.73366%0.659SS**  cis-164.1-160.4-25.1-146.8-51.7000107
1929E27.2Very low26.9Very low154 Ų154132 Ų13272%0.7267%0.669SS**  trans61.7117.1141.7-79.7-177.3156.300119.7
1930N25.2Very low27Very low132 Ų132130.8 Ų130.871%0.70666%0.662SS**  40139.2110.5-67.7-43.2000120.3
1931Q25.3Very low26.9Very low167 Ų167132.7 Ų132.778%0.7867%0.665SS**  trans71160.1157.6-67.8169.521.500115.3
1932D25.6Very low26.9Very low72 Ų72128.4 Ų128.439%0.38566%0.66SS.*  cis-132.8162.63-147.9-10.9000112.7T1066 S1934T1066-D1932 WeakPolarHBondContact CG2-OD2 3.3Å; D1932-S1934 PolarHBondContact O-N 2.85Å
1933E33.1Very low26.9Very low141 Ų141131.6 Ų131.666%0.65967%0.666SS**  trans-53.5124.5164.9-68.1-179.2-171.400110.3K1065K1065-E1933 IonicContact NZ-OE1 3.01Å; K1065-E1933 IonicContact NZ-OE2 3.47Å; K1065-E1933 PolarHBondContact NZ-OE2 2.84Å
1934S25.3Very low26.9Very low96 Ų96131 Ų13167%0.67166%0.659SS**  trans-148.292.3164.343.60000113.7D1932D1932-S1934 PolarHBondContact O-N 2.85Å
1935H27.9Very low26.8Very low167 Ų167133.1 Ų133.177%0.77366%0.657SS**  trans64.9147.4130.3-63-77.8000119.7
1936Q26.3Very low26.8Very low140 Ų140138.8 Ų138.865%0.65468%0.675SS**  cis-177.2155.8-13.6171.516115.800107.5
1937N26.5Very low26.8Very low120 Ų120139.1 Ų139.164%0.64268%0.676SS**  trans44.899.4161.5-64.2-4.6000118.7
1938Q27.5Very low26.9Very low179 Ų179139.6 Ų139.684%0.83669%0.691SS**  175.2127.6109.7-90.914934.700109.4
1939W23.8Very low27Very low232 Ų232140 Ų14088%0.87969%0.688SS**  cis71.211346.6-14456.4000112.6
1940N25.4Very low27.1Very low106 Ų106138.7 Ų138.757%0.56769%0.691SS**  trans68.4135.6164.7-85.2-73.1000120.3
1941K25Very low27.4Very low177 Ų177138.4 Ų138.477%0.7769%0.689SS**  trans53.9102.7143.2-57.9166.1-172.5174.30118.5
1942S25.3Very low27.7Very low107 Ų107136.7 Ų136.775%0.74868%0.684SS**  176128.7105.3-77.20000110.1
1943N26.2Very low28Very low141 Ų141138.6 Ų138.675%0.75469%0.694SS**  78.5149.254.2-165.317.1000113.2
1944T26.7Very low28.1Very low76 Ų76138.6 Ų138.647%0.46670%0.698SS.*  trans72.8107.6163.742.10000122.1
1945R26.6Very low28.2Very low174 Ų174138.8 Ų138.866%0.65769%0.691SS**  trans79.5155.3137-51157.1-169.1156.32.1117.1L1947R1945-L1947 HydrophobicContact CB-CD1 4.46Å; R1945-L1947 HydrophobicContact CG-CD1 4.06Å
1946Y30.7Very low28.3Very low194 Ų194137.7 Ų137.776%0.76169%0.691SS**  cis-118.5138.82.1-77.5-95.6000109.7
1947L28Very low28.4Very low112 Ų112139.6 Ų139.659%0.58670%0.697SS**  69.497.455.1-70.8171.5000114.8R1945R1945-L1947 HydrophobicContact CB-CD1 4.46Å; R1945-L1947 HydrophobicContact CG-CD1 4.06Å
1948S30.4Very low28.4Very low108 Ų108138.8 Ų138.876%0.75570%0.701SS**  -164.2111.51201.10000106.3
1949E28.5Very low28.5Very low146 Ų146136.7 Ų136.768%0.68270%0.696SS**  58.7107.375.2-60.6168.4139.700109.5
1950T30.9Very low28.9Very low126 Ų126134.1 Ų134.177%0.77369%0.691SS**  179.4153.179.829.50000109.5
1951D30.3Very low29Very low125 Ų125134.5 Ų134.567%0.66870%0.7SS**  cis-175.4174.9-17.7-126.7-14.5000110.8
1952I31.1Very low29.1Very low131 Ų131128.8 Ų128.867%0.67268%0.683SS**  trans65.8139.5143.9-73.7164.9000119.1
1953D32.1Very low29.4Very low113 Ų113129.6 Ų129.660%0.60467%0.673SS**  cis-162.7173.9-17.7-91.6-23.4000105.4I1955D1953-I1955 WeakPolarHBondContact OD1-CD1 3.47Å
1954D34.8Very low29.6Very low140 Ų140129.5 Ų129.575%0.74967%0.672SS**  cis-115.1164.32.7-87.2-68.3000109.4
1955I29.4Very low29.8Very low101 Ų101132.6 Ų132.652%0.51869%0.685SS.*  cis82.293.817.5-49-179.1000116.6D1953 F1957D1953-I1955 WeakPolarHBondContact OD1-CD1 3.47Å; I1955-F1957 HydrophobicContact CG2-CD2 4.49Å
1956N29.7Very low29.8Very low143 Ų143133.5 Ų133.577%0.76570%0.697SS**  173.5122.3120.5-92.5-70.4000108.8
1957F26.7Very low29.7Very low181 Ų181128.7 Ų128.779%0.79469%0.692SS**  80.5151.954-89.6-78.7000116.1I1955I1955-F1957 HydrophobicContact CG2-CD2 4.49Å
1958S27Very low29.7Very low103 Ų103129.4 Ų129.472%0.7269%0.692SS**  trans74.5134.9-178.982.60000114.1
1959N30.7Very low29.6Very low135 Ų135132.3 Ų132.372%0.72269%0.688SS**  cis-155.1169.4-4.1-81.7-30.6000107.3
1960F31.1Very low29.6Very low178 Ų178130.2 Ų130.278%0.78168%0.679SS**  cis-153.9137.3-12.8-121.5-146.8000105
1961C27.5Very low29.5Very low113 Ų113132.9 Ų132.976%0.76468%0.68SS**  69.8115.679.9-158.20000114.7
1962S28.3Very low29.4Very low57 Ų57131.3 Ų131.340%0.39968%0.684SS.*  trans-148.8-169.6-176.2-1690000112.9E1013E1013-S1962 WeakPolarHBondContact OE1-CB 3.31Å; E1013-S1962 PolarHBondContact OE1-OG 3.43Å
1963K31.4Very low29.4Very low124 Ų124128.8 Ų128.854%0.53968%0.683SS.*  trans-121131-166.9-47.8117.5-73.8102.90109.9E1013 E1014E1013-K1963 IonicContact OE1-NZ 3.68Å; E1014-K1963 WeakPolarHBondContact OE1-CE 3.38Å; E1014-K1963 IonicContact OE1-NZ 3.31Å; E1014-K1963 PolarHBondContact OE1-NZ 2.97Å
1964N29.5Very low29.4Very low139 Ų139131.2 Ų131.274%0.74369%0.691SS**  cis77.4142.29.2-155.516.3000117.4
1965L30.3Very low29.2Very low141 Ų141131.6 Ų131.674%0.73869%0.69SS**  trans78.1115.5172.1-58.1150.2000118
1966E27.7Very low29.1Very low194 Ų194131.3 Ų131.391%0.90769%0.693SS**  -158.7154.797.2-102.1176.4-162.900109.3
1967S28Very low29.3Very low93 Ų93132.6 Ų132.665%0.6569%0.694SS**  cis-139.3144.8-5.765.70000111.8
1968E28.5Very low29.3Very low127 Ų127128.6 Ų128.659%0.59369%0.689SS**  trans18125.3131.7-62.2-152.7148.300117.6
1969Y27.9Very low29.3Very low168 Ų168128.5 Ų128.566%0.65969%0.687SS**  142.4168.167.2-107.8-171.8000108.5
1970M28.9Very low29.3Very low103 Ų103129.3 Ų129.351%0.50769%0.686SS.*  cis-162.5154.9-7.6-133.9178.5-175.200110.6
1971K27.7Very low29.3Very low181 Ų181123.6 Ų123.679%0.78768%0.677SS**  trans62.5157.7151.7-73.4157.4-176.9157.70116.1
1972A28.6Very low29.4Very low92 Ų92125.1 Ų125.176%0.7667%0.673SS**  cis-132.6168.6-11.200000106.7
1973A31.9Very low29.6Very low79 Ų79130.1 Ų130.165%0.65369%0.69SS**  cis-165.1158.232.900000112.9
1974H31.5Very low29.4Very low164 Ų164129.6 Ų129.676%0.75969%0.693SS**  trans36.4130.4140.6-57.9-51.2000120.3
1975M30.6Very low29.3Very low147 Ų147129.2 Ų129.272%0.72469%0.687SS**  cis-164.9125.210.4-129154.3137.300113.5
1976T28.6Very low29.3Very low95 Ų95129.4 Ų129.458%0.58368%0.684SS**  trans54.9143.3130.160.90000122.7
1977H32.8Very low29.3Very low171 Ų171126 Ų12679%0.79267%0.667SS**  trans88.2111.5161.2-56.1-60.7000115.1
1978S26.5Very low29.1Very low97 Ų97125.7 Ų125.768%0.67867%0.665SS**  cis80.7146.540.3-1720000112.7
1979C28.1Very low29Very low101 Ų101128.2 Ų128.268%0.68267%0.671SS**  trans69.1152.9177.2-61.50000113.7
1980H30.4Very low29Very low152 Ų152127 Ų12770%0.70467%0.673SS**  cis-135.7162.1-18.3-119.7-75.6000105.8E1982H1980-E1982 IonicContact CE1-OE2 3.16Å; H1980-E1982 PolarHBondContact CE1-OE2 2.75Å; H1980-E1982 IonicContact ND1-OE2 3.28Å; H1980-E1982 PolarHBondContact ND1-OE2 2.86Å
1981G31.4Very low28.9Very low57 Ų57127.4 Ų127.459%0.58868%0.676SS**  117.1175.289.100000109.6
1982E29.7Very low28.7Very low146 Ų146126.2 Ų126.268%0.68268%0.675SS**  cis58.8114.237.7-51.6163.6154.300110.9H1980H1980-E1982 IonicContact CE1-OE2 3.16Å; H1980-E1982 PolarHBondContact CE1-OE2 2.75Å; H1980-E1982 IonicContact ND1-OE2 3.28Å; H1980-E1982 PolarHBondContact ND1-OE2 2.86Å
1983E30.6Very low28.5Very low161 Ų161125.9 Ų125.975%0.75266%0.664SS**  cis-140.7149.30.1-105145.8-176.700106.2
1984N27.5Very low28.2Very low113 Ų113127.5 Ų127.560%0.60467%0.666SS**  49.8149.977-153.330.5000113.1
1985E28.5Very low27.9Very low132 Ų132125.3 Ų125.362%0.61766%0.664SS**  trans5191.1155.3-79.9159.8-152.400116.4
1986E30.8Very low28.5Very low145 Ų145123.9 Ų123.968%0.67867%0.666SS**  110.5-158.276.8-113-153.890.700107.6
1987H25.8Very low29.1Very low121 Ų121124.9 Ų124.956%0.5667%0.673SS**  trans71.381.2140.2-74.79.6000113.1
1988S25.3Very low29.2Very low87 Ų87121.7 Ų121.761%0.60867%0.668SS**  85.8145.587.2-81.50000110.4
1989Y26.9Very low29.2Very low181 Ų181122.7 Ų122.771%0.7168%0.675SS**  cis-144.6140.241-93.7-90.3000111.7
1990M25.9Very low29.2Very low143 Ų143121.6 Ų121.670%0.70467%0.673SS**  trans72.5167.7144.8-55.4-100-150.400115.4
1991I27.4Very low29.1Very low110 Ų110120.6 Ų120.656%0.56468%0.678SS**  cis-136.1108.12.6-147.1148.2000112.6T1993I1991-T1993 PolarHBondContact O-OG1 2.76Å
1992M24.7Very low29Very low157 Ų157122.3 Ų122.377%0.77368%0.681SS**  trans43.9-138.8143.9-53.9-170.6-73.400116.3
1993T23.4Very low29Very low85 Ų85120.9 Ų120.952%0.52168%0.682SS.*  trans26.6126.1137.551.50000118.3I1991I1991-T1993 PolarHBondContact O-OG1 2.76Å
1994T25Very low28.9Very low113 Ų113119 Ų11969%0.69368%0.682SS**  cis-170.2150.111.9160000107.2
1995T26.6Very low29Very low118 Ų118119.5 Ų119.572%0.72469%0.689SS**  33.4146.4100.933.60000118.9
1996P43.1Very low29Very low117 Ų117117.1 Ų117.176%0.7669%0.692SS**  trans-77.6-161.6-17740.7-42.5000110.9
1997P41.2Very low28.9Very low115 Ų115116.4 Ų116.475%0.74770%0.698SS**  cis-136.3-149.1944.3-21.2000112
1998P34.8Very low29.4Very low105 Ų105115.9 Ų115.968%0.68271%0.705SS**  cis-139.1-173.9-7.842.8-24.4000116.9
1999S26.3Very low29.5Very low118 Ų118116.6 Ų116.683%0.82571%0.71SS**  trans76.1142.9146.3-70.90000119.9
2000A28.4Very low29.6Very low77 Ų77116 Ų11664%0.63671%0.711SS**  cis-158.4160.9-3.400000113.3
2001T28.2Very low30Very low132 Ų132114.5 Ų114.581%0.8171%0.706SS**  trans61.1125.8156.443.90000118.8
2002S28.6Very low30Very low92 Ų92116.6 Ų116.664%0.64372%0.715SS**  cis-158.9156.56-76.80000113.5
2003T29.1Very low30.4Very low116 Ų116116.7 Ų116.771%0.71271%0.714SS**  trans54.999.4148.147.90000118.6
2004T29.4Very low30.9Very low122 Ų122118.6 Ų118.675%0.74872%0.721SS**  70.9137.286.360.30000114.6
2005T28.8Very low30.9Very low123 Ų123122.9 Ų122.976%0.75573%0.73SS**  cis-159.9151.115.7-5.60000111.7
2006A28.9Very low31Very low82 Ų82120.2 Ų120.268%0.67873%0.726SS**  29.8154.7129.700000121.6
2007T28.8Very low30.3Very low131 Ų131123.2 Ų123.280%0.80473%0.727SS**  cis-155154.822.2-25.20000110.1
2008P36.7Very low29.8Very low109 Ų109126 Ų12671%0.70873%0.728SS**  trans-112-165.2-167.243.3-34.9000114.1
2009S26.8Very low29.4Very low102 Ų102129.3 Ų129.371%0.71373%0.732SS**  trans84.3161.5153.877.50000119.1
2010K30.3Very low29.5Very low169 Ų169129.5 Ų129.574%0.73573%0.728SS**  trans78.3135.8172.3-59.7-175.4150.1-82.90117.2
2011D33.6Very low29.7Very low111 Ų111131.4 Ų131.459%0.59473%0.727SS**  cis-142.9142.8-22.1-88.2-40.4000103.7
2012M27.5Very low29.8Very low154 Ų154132.3 Ų132.376%0.75972%0.72SS**  58.1142.774.7-148.117574.100113.2
2013E32.9Very low29.7Very low159 Ų159134.4 Ų134.474%0.74372%0.724SS**  trans72.4149.8-172.3-57.4-178.2-156.800115
2014N34Very low29.7Very low126 Ų126135.9 Ų135.967%0.67472%0.723SS**  cis-149144.3-22.3-99.9-32.5000106.7
2015F25.8Very low29.8Very low203 Ų203138.7 Ų138.789%0.8973%0.725SS**  63.647.169.8-112.7-70.1000117
2016G28.6Very low29.8Very low62 Ų62137.8 Ų137.864%0.63972%0.715SS**  trans73170.2145.500000119.1
2017K28.6Very low29.7Very low179 Ų179141.6 Ų141.678%0.77872%0.718SS**  trans65.4155.2-174.1-43.1172.6-174.11790111.7
2018F29Very low30Very low173 Ų173142 Ų14276%0.75972%0.716SS**  cis-122.6144.95.1-78.2-100.2000108.4
2019F27Very low29.7Very low176 Ų176142.2 Ų142.277%0.77271%0.71SS**  50.6114.279-85.2-86.5000114.4
2020V28.6Very low29.9Very low121 Ų121143.1 Ų143.173%0.73371%0.707SS**  trans26.5117130.4-176.50000116.8
2021D32.6Very low30Very low117 Ų117142.8 Ų142.863%0.62671%0.708SS**  -160.7140.4118.9-124.53.5000116.7
2022K29.7Very low29.9Very low151 Ų151143.6 Ų143.666%0.65771%0.712SS**  trans42.1121.4144.4-69.8169.2-170.973.90121.6
2023D28Very low30Very low136 Ų136141.1 Ų141.173%0.72771%0.705SS**  27.8151.5100.9-63.7-63.7000121.4
2024Q28.8Very low29.8Very low147 Ų147136.8 Ų136.869%0.68769%0.693SS**  trans67.2132172.4-109.786.277.800113.8L2026Q2024-L2026 HydrophobicContact CG-CD1 4.24Å
2025F31.7Very low29.7Very low181 Ų181133.3 Ų133.379%0.79468%0.677SS**  cis-126.713317.6-108.2-112.4000109.9
2026L28.3Very low29.8Very low105 Ų105131.4 Ų131.455%0.5567%0.671SS.*  57.812074.1-79.5168.5000114.9Q2024Q2024-L2026 HydrophobicContact CG-CD1 4.24Å
2027H27.4Very low29.6Very low161 Ų161134 Ų13475%0.74568%0.678SS**  trans53.5101.7161.5-74.3-73.5000118.5
2028D33.5Very low29.6Very low140 Ų140129.6 Ų129.675%0.74967%0.669SS**  177.6146.3106-95.52.5000113.5
2029I31.9Very low29.4Very low114 Ų114127.8 Ų127.859%0.58568%0.675SS**  cis-159.6141.2-23.7-138.3179.4000111.1
2030N30.3Very low29.5Very low121 Ų121124.8 Ų124.865%0.64767%0.671SS**  trans53.5145.5154.6-61.3-32.3000123.1
2031Q32.1Very low29.6Very low162 Ų162124.9 Ų124.976%0.75766%0.664SS**  trans64.9115.7153.4-70.1167.747.300117
2032N31.5Very low29.4Very low128 Ų128128.3 Ų128.368%0.68468%0.676SS**  cis-160.4108.131.9-80.9-49.7000115.4
2033T30.1Very low29.6Very low101 Ų101126.8 Ų126.862%0.6268%0.679SS**  50.4124127.766.20000123.6R620R620-T2033 PolarHBondContact NH2-O 3.36Å; R620-T2033 PolarHBondContact NH2-OG1 3.31Å
2034S28.3Very low29.7Very low68 Ų68128.5 Ų128.548%0.47668%0.681SS.*  62.4138.1114.3-161.60000121.4R620R620-S2034 PolarHBondContact NE-O 2.79Å; R620-S2034 PolarHBondContact NH2-O 2.78Å
2035P31.3Very low30.1Very low53 Ų53123.4 Ų123.434%0.34466%0.658SS.*  cis-141.916023.643.3-25.5000120.5P621 L622P621-P2035 HydrophobicContact CB-CG 4.17Å; P621-P2035 HydrophobicContact CG-CG 3.72Å; L622-P2035 HydrophobicContact CD1-CB 4.02Å; L622-P2035 HydrophobicContact CD1-CG 4.33Å; L622-P2035 HydrophobicContact CD2-CB 3.68Å; L622-P2035 HydrophobicContact CD2-CG 4.42Å; L622-P2035 HydrophobicContact CG-CB 3.78Å; L622-P2035 HydrophobicContact CG-CG 4.03Å
2036H28.2Very low30.3Very low164 Ų164118.4 Ų118.476%0.75964%0.644SS**  trans23.8151.6135.7-79.4-92.7000126.2
2037C25.6Very low30.7Very low116 Ų116120.2 Ų120.278%0.78465%0.653SS**  trans73.3140.4157-650000116.6
2038S27.1Very low31.2Very low86 Ų86120.3 Ų120.360%0.60165%0.652SS**  cis-152.7166-2.428.60000108.9T2040S2038-T2040 PolarHBondContact O-N 2.77Å
2039P26.4Very low31.7Very low135 Ų135118.8 Ų118.888%0.87765%0.648SS**  trans-66.4118.8169.528.8-33.2000109
2040T28.9Very low31.8Very low114 Ų114123.1 Ų123.170%0.69966%0.657SS**  trans-121.9132.1166.536.10000108.3S2038 E2042S2038-T2040 PolarHBondContact O-N 2.77Å; T2040-E2042 PolarHBondContact O-N 2.95Å
2041E29.9Very low31.9Very low123 Ų123120.2 Ų120.258%0.57566%0.656SS**  trans-70.293.6179.2-64.4159.1-175.100108.5V728 T2043V728-E2041 HydrophobicContact CG2-CG 3.94Å; V728-E2041 WeakPolarHBondContact CG2-OE1 3.23Å; V728-E2041 WeakPolarHBondContact CG2-OE2 3.45Å; E2041-T2043 PolarHBondContact O-N 3.21Å
2042E29.4Very low31.8Very low189 Ų189121 Ų12188%0.88366%0.659SS**  trans-74.282.8165-72.8-164.5154.200108.4T2040 F2044T2040-E2042 PolarHBondContact O-N 2.95Å; E2042-F2044 PolarHBondContact O-N 2.93Å
2043T33.2Very low32Very low118 Ų118121 Ų12172%0.72467%0.666SS**  trans-41.3129.1168.3-56.80000109.7E2041 D2045E2041-T2043 PolarHBondContact O-N 3.21Å; T2043-D2045 VanDerWaalsContact C-N 3.27Å; T2043-D2045 PolarHBondContact O-N 3.02Å
2044F29.9Very low32.1Very low172 Ų172124.2 Ų124.275%0.75468%0.679SS**  trans-64.792.6173.5177.8-98.4000109.1E2042 P2046E2042-F2044 PolarHBondContact O-N 2.93Å; F2044-P2046 HydrophobicContact CE1-CB 4.34Å; F2044-P2046 VanDerWaalsContact O-CD 3.24Å; F2044-P2046 WeakPolarHBondContact O-CD 3.08Å
2045D36.6Very low32Very low40 Ų40124 Ų12421%0.21469%0.687CS.*  trans-92.9104178.5179.6-3.8000109.1T2043 L2047 K2048T2043-D2045 VanDerWaalsContact C-N 3.27Å; T2043-D2045 PolarHBondContact O-N 3.02Å; D2045-L2047 PolarHBondContact O-N 2.78Å; D2045-L2047 WeakPolarHBondContact OD1-CA 3.13Å; D2045-L2047 VanDerWaalsContact OD1-CB 3.23Å; D2045-L2047 WeakPolarHBondContact OD1-CB 3.45Å; D2045-L2047 PolarHBondContact OD1-N 3.46Å; D2045-K2048 HydrophobicContact CB-CB 4.3Å; D2045-K2048 HydrophobicContact CB-CD 4.3Å; D2045-K2048 HydrophobicContact CB-CG 4.35Å; D2045-K2048 PolarHBondContact O-N 2.93Å; D2045-K2048 VanDerWaalsContact O-N 3.16Å; D2045-K2048 WeakPolarHBondContact OD2-CG 3.48Å; D2045-K2048 IonicContact OD2-NZ 3.63Å; D2045-K2048 PolarHBondContact OD2-NZ 2.97Å
2046P37.4Very low31.9Very low77 Ų77129.5 Ų129.550%0.571%0.713SS.*Hα-helixtrans-63-21.5179.326.3-34.2000112.7F2044 W2050F2044-P2046 HydrophobicContact CE1-CB 4.34Å; F2044-P2046 VanDerWaalsContact O-CD 3.24Å; F2044-P2046 WeakPolarHBondContact O-CD 3.08Å; P2046-W2050 VanDerWaalsContact O-CD1 3.32Å
2047L35.1Very low31.9Very low142 Ų142126.8 Ų126.874%0.74371%0.71SS**Hα-helixtrans-76-24.8178.6-58.1164.7000112.4D2045D2045-L2047 PolarHBondContact O-N 2.78Å; D2045-L2047 WeakPolarHBondContact OD1-CA 3.13Å; D2045-L2047 VanDerWaalsContact OD1-CB 3.23Å; D2045-L2047 WeakPolarHBondContact OD1-CB 3.45Å; D2045-L2047 PolarHBondContact OD1-N 3.46Å
2048K38.9Very low32.2Very low164 Ų164126 Ų12671%0.71371%0.712SS**Hα-helixtrans-80.7-22.4176.3-80.7-179.6-171.6810114.4D2045D2045-K2048 HydrophobicContact CB-CB 4.3Å; D2045-K2048 HydrophobicContact CB-CD 4.3Å; D2045-K2048 HydrophobicContact CB-CG 4.35Å; D2045-K2048 PolarHBondContact O-N 2.93Å; D2045-K2048 VanDerWaalsContact O-N 3.16Å; D2045-K2048 WeakPolarHBondContact OD2-CG 3.48Å; D2045-K2048 IonicContact OD2-NZ 3.63Å; D2045-K2048 PolarHBondContact OD2-NZ 2.97Å
2049T42.7Very low32.3Very low108 Ų108126.9 Ų126.966%0.66372%0.716SS**Hα-helixtrans-81.7-22.4180-54.40000112G2051T2049-G2051 VanDerWaalsContact C-N 3.34Å; T2049-G2051 PolarHBondContact O-N 3.44Å
2050W34.1Very low32.3Very low204 Ų204126.3 Ų126.377%0.77371%0.709SS**SBendtrans-7687.3166.4-73.557.7000108.7P2046P2046-W2050 VanDerWaalsContact O-CD1 3.32Å
2051G32.6Very low32.5Very low61 Ų61126.4 Ų126.463%0.62971%0.712SS**  trans-55.2145.9-172.200000113.9T2049T2049-G2051 VanDerWaalsContact C-N 3.34Å; T2049-G2051 PolarHBondContact O-N 3.44Å
2052H31.1Very low32.9Very low177 Ų177125.4 Ų125.482%0.81972%0.716SS**  trans-36.9119.7-171.7-64-64.4000114.3L2054H2052-L2054 PolarHBondContact O-N 3.16Å
2053P35.1Very low32.9Very low129 Ų129123.3 Ų123.384%0.83871%0.709SS**  trans-64.6100.5165.525.7-31.9000109G2055P2053-G2055 PolarHBondContact O-N 2.87Å
2054L31.8Very low32.5Very low169 Ų169123 Ų12389%0.88571%0.707SS**  trans-65.196.6-179.7-85.7157.4000110.3H2052H2052-L2054 PolarHBondContact O-N 3.16Å
2055G27.6Very low32.5Very low64 Ų64121.6 Ų121.666%0.6671%0.708SS**  trans-68.7165.6177.800000114.2P2053P2053-G2055 PolarHBondContact O-N 2.87Å
2056L27.8Very low32.1Very low167 Ų167127.6 Ų127.687%0.87473%0.734SS**  trans81.2146.8-178.1-52.8174.4000115.3
2057P28.9Very low31.8Very low107 Ų107128 Ų12870%0.69574%0.739SS**  cis-106.1151.66.638.2-30.9000114.5P2059P2057-P2059 VanDerWaalsContact O-CD 3.27Å; P2057-P2059 WeakPolarHBondContact O-CD 3.39Å
2058A31.8Very low31.7Very low101 Ų101130.6 Ų130.684%0.83574%0.744SS**  trans-81115.6159.500000109.6
2059P28.4Very low31.1Very low104 Ų104128.3 Ų128.368%0.67575%0.748SS**  trans-122.596.4-169.232-11.5000114.1P2057P2057-P2059 VanDerWaalsContact O-CD 3.27Å; P2057-P2059 WeakPolarHBondContact O-CD 3.39Å
2060V28.1Very low30.5Very low123 Ų123131.8 Ų131.875%0.74575%0.753SS**  trans54.7100145.8-166.70000119.1
2061P32.5Very low30.4Very low116 Ų116130.7 Ų130.775%0.75375%0.754SS**  trans-83.8161.9138.236.4-32.5000110.7
2062P37.8Very low30.5Very low102 Ų102135.4 Ų135.466%0.66276%0.762SS**  cis-122.2175.6-37.140.2-28.6000111.1
2063I28.7Very low30.9Very low144 Ų144132 Ų13274%0.73875%0.749SS**  trans-133.1116.4146.6-70.592.2000108.7
2064T26.2Very low30.9Very low112 Ų112132.8 Ų132.869%0.68774%0.743SS**  trans-69.3132.8165.147.60000110.3
2065N29.6Very low31.2Very low142 Ų142133 Ų13376%0.75974%0.737SS**  trans-141.7116.8156.9-100.4-48000112.1
2066H27.5Very low31.9Very low166 Ų166133.5 Ų133.577%0.76972%0.724SS**  trans-34.8152.9170.1-43.1-88.5000114.3
2067S31.2Very low32.2Very low86 Ų86132 Ų13260%0.60171%0.71SS**  cis-167.1151.635.678.50000115.5
2068K32.8Very low32.6Very low197 Ų197135.8 Ų135.886%0.85772%0.716SS**  trans69.2150.3152.8-59.9160.8-172.4171.60118
2069C26.9Very low33.3Very low116 Ų116136.7 Ų136.778%0.78471%0.706SS**  cis-168.4159.9-34.2-149.20000109.1
2070K29Very low33.8Very low180 Ų180137.6 Ų137.678%0.78371%0.705SS**  trans62.494.3171.5-60.6-174.3175-171.10117.1
2071F33.1Very low34.1Very low181 Ų181140.1 Ų140.179%0.79471%0.706SS**  -162.4-11123.1-116-71.7000112.7I2073F2071-I2073 PolarHBondContact O-N 3.18Å
2072M35.3Very low34.2Very low161 Ų161140.3 Ų140.379%0.79371%0.709SS**THydrogen-bonded Turntrans-63.957.7167-169.5-171.6171.100113.1I2076M2072-I2076 HydrophobicContact CE-CD1 4.02Å; M2072-I2076 HydrophobicContact CG-CD1 4.11Å
2073I39.8Very low33.9Very low106 Ų106145 Ų14554%0.54471%0.714SS.*THydrogen-bonded Turntrans-134.1-41.7171.8-69.4-175.4000110.4F2071 I2076 F2077F2071-I2073 PolarHBondContact O-N 3.18Å; I2073-I2076 PolarHBondContact O-N 3.03Å; I2073-F2077 HydrophobicContact CG2-CD2 4.17Å; I2073-F2077 HydrophobicContact CG2-CE2 4.15Å; I2073-F2077 WeakPolarHBondContact O-CD2 3.29Å; I2073-F2077 PolarHBondContact O-N 2.82Å
2074M35Very low33.9Very low144 Ų144145.4 Ų145.471%0.70971%0.711SS**Hα-helixtrans-66.5-43.4-179.2-74.4-143.271.400113.8I2076 F2077 F2078M2074-I2076 PolarHBondContact O-N 3.29Å; M2074-I2076 VanDerWaalsContact O-N 3.08Å; M2074-F2077 PolarHBondContact O-N 3.39Å; M2074-F2077 VanDerWaalsContact O-N 3.1Å; M2074-F2078 PolarHBondContact O-N 3.39Å
2075F37.5Very low34.4Very low173 Ų173151.4 Ų151.476%0.75972%0.723SS**Hα-helixtrans-63.6-14.9177.2-112.2-91000114.2I2079F2075-I2079 WeakPolarHBondContact O-CD1 3.34Å
2076I42.1Very low34.7Very low75 Ų75150 Ų15039%0.38571%0.712SS.*Hα-helixtrans-92.6-26.3177.7-68.4175.2000111.3M2072 I2073 M2074 L2080M2072-I2076 HydrophobicContact CE-CD1 4.02Å; M2072-I2076 HydrophobicContact CG-CD1 4.11Å; I2073-I2076 PolarHBondContact O-N 3.03Å; M2074-I2076 PolarHBondContact O-N 3.29Å; M2074-I2076 VanDerWaalsContact O-N 3.08Å; I2076-L2080 HydrophobicContact CG2-CD1 3.83Å; I2076-L2080 WeakPolarHBondContact O-CB 3.12Å; I2076-L2080 WeakPolarHBondContact O-CG 3.16Å; I2076-L2080 PolarHBondContact O-N 2.78Å
2077F34.8Very low34.8Very low135 Ų135148.4 Ų148.459%0.59270%0.704SS**Hα-helixtrans-75-38.7173.5-89.8-100000112.3I2073 M2074 I2079 L2080 F2081I2073-F2077 HydrophobicContact CG2-CD2 4.17Å; I2073-F2077 HydrophobicContact CG2-CE2 4.15Å; I2073-F2077 WeakPolarHBondContact O-CD2 3.29Å; I2073-F2077 PolarHBondContact O-N 2.82Å; M2074-F2077 PolarHBondContact O-N 3.39Å; M2074-F2077 VanDerWaalsContact O-N 3.1Å; F2077-I2079 PolarHBondContact O-N 3.35Å; F2077-L2080 PolarHBondContact O-N 2.86Å; F2077-L2080 VanDerWaalsContact O-N 3.13Å; F2077-F2081 WeakPolarHBondContact O-CB 3.42Å; F2077-F2081 PolarHBondContact O-N 2.78Å; F2077-F2081 VanDerWaalsContact O-N 3.08Å
2078F36.4Very low34.6Very low187 Ų187153.1 Ų153.182%0.8271%0.714SS**THydrogen-bonded Turntrans-63.5-29.6176.9-151.4-96.7000112.8M2074M2074-F2078 PolarHBondContact O-N 3.39Å
2079I46.6Very low34.5Very low120 Ų120147.7 Ų147.762%0.61571%0.706SS**THydrogen-bonded Turntrans-88.1-7179-65.6176.4000112.6F2075 F2077F2075-I2079 WeakPolarHBondContact O-CD1 3.34Å; F2077-I2079 PolarHBondContact O-N 3.35Å
2080L38Very low34.8Very low124 Ų124151.4 Ų151.465%0.64971%0.705SS**THydrogen-bonded Turntrans-122.6-3.7-177.1-73.5173.5000115.7I2076 F2077I2076-L2080 HydrophobicContact CG2-CD1 3.83Å; I2076-L2080 WeakPolarHBondContact O-CB 3.12Å; I2076-L2080 WeakPolarHBondContact O-CG 3.16Å; I2076-L2080 PolarHBondContact O-N 2.78Å; F2077-L2080 PolarHBondContact O-N 2.86Å; F2077-L2080 VanDerWaalsContact O-N 3.13Å
2081F34.8Very low34.8Very low175 Ų175148.9 Ų148.977%0.76870%0.7SS**SBendtrans-99.5-18.5-177.7-152.8-102.7000115.5F2077F2077-F2081 WeakPolarHBondContact O-CB 3.42Å; F2077-F2081 PolarHBondContact O-N 2.78Å; F2077-F2081 VanDerWaalsContact O-N 3.08Å
2082C35.5Very low34.6Very low121 Ų121147.1 Ų147.182%0.81869%0.694SS**SBendtrans-110.114.3176.6-64.30000114.1
2083Y30.6Very low34.3Very low199 Ų199149.8 Ų149.878%0.7870%0.697SS**SBendtrans-127.142.1-180-137.4-76.9000112.9
2084K29.9Very low33.8Very low153 Ų153152.3 Ų152.367%0.66571%0.708SS**  trans-155.571.8172.7-133.6179.9-174-172.30119Q2086K2084-Q2086 VanDerWaalsContact CG-OE1 3.24Å
2085Y36.8Very low33.5Very low239 Ų239152.8 Ų152.894%0.93771%0.713SS**  trans-163.889146.6-95.2-76.6000104.8
2086Q34.4Very low33.1Very low112 Ų112152.7 Ų152.752%0.52371%0.714SS.*  cis59.313129.4-75.9-161.3-26.800112.8K2084K2084-Q2086 VanDerWaalsContact CG-OE1 3.24Å
2087H29.4Very low32.5Very low133 Ų133158.2 Ų158.262%0.61674%0.739SS**  cis-160.3171.223.9-156.2-86.7000114.1
2088F28.6Very low32.2Very low185 Ų185160.2 Ų160.281%0.81175%0.75SS**  trans81.8137.6171.2-68.4-93.1000118.4
2089A30.8Very low31.9Very low82 Ų82156.9 Ų156.968%0.67875%0.745SS**  cis-159.8140.6-24.200000107.8
2090Y32.3Very low31Very low194 Ų194158.6 Ų158.676%0.76176%0.756SS**  cis86.495.640-158.1-81.9000114.6
2091N29.2Very low30.6Very low127 Ų127160.7 Ų160.768%0.67977%0.767SS**  trans164.6159.8136.5-87.4-49.6000110.5
2092Q28.3Very low30.3Very low144 Ų144158.4 Ų158.467%0.67377%0.767SS**  cis-178.4107.1-30.2169.9-178.865.500109.7
2093Y29.9Very low30Very low218 Ų218161.8 Ų161.886%0.85577%0.768SS**  trans-177.1145.9155.3-87.4-61.6000105.9
2094M29.4Very low30Very low158 Ų158164.4 Ų164.478%0.77878%0.776SS**  cis-133.7138.30.7-110.5-70.2-160.200108.6
2095L27.6Very low29.9Very low155 Ų155163.2 Ų163.281%0.81278%0.782SS**  trans-137.5104.6165.4-174123.6000110.1
2096H29.1Very low29.5Very low170 Ų170163.6 Ų163.679%0.78778%0.781SS**  trans-152.985.9172.2-123.467.6000113.2
2097Q29.9Very low29.4Very low191 Ų191164 Ų16489%0.89380%0.797SS**  -169.3102.7117.5-104.3173.793.100111.5
2098Q28.8Very low29.4Very low177 Ų177161.2 Ų161.283%0.82780%0.797SS**  trans-146.3164.3159.9-148.4-173.352.900108.7
2099T29.7Very low29.6Very low117 Ų117159.6 Ų159.672%0.71880%0.797SS**  trans72.3100.4-179.8750000116.1
2100N27.3Very low29.6Very low157 Ų157161.5 Ų161.584%0.8480%0.8SS**  -157.5123.2113-109-70.5000110
2101L30Very low29.6Very low168 Ų168158.3 Ų158.388%0.8881%0.806SS**  trans162.3109.1139.4-90.6160.7000111.3
2102T28.8Very low29.6Very low127 Ų127155.7 Ų155.778%0.77981%0.809SS**  trans-154.6138.6150-19.50000111
2103K28.8Very low29.9Very low192 Ų192156.3 Ų156.384%0.83581%0.81SS**  trans70.592.4166.1-52.7165.1-172.2164.50117.5
2104R31.9Very low29.8Very low254 Ų254152.4 Ų152.496%0.95881%0.808SS**  -164.4153.9110.3-105.9167.5-172.8168.14.5112.4
2105V27.4Very low30Very low128 Ų128152 Ų15278%0.77681%0.809SS**  trans-137.8151.1-177.2-1770000108.6
2106R28.7Very low30Very low246 Ų246150.2 Ų150.293%0.92881%0.805SS**  trans77.8133.9-173.7-46.8173.2-174.4132.72.6111.8
2107S32.2Very low30Very low121 Ų121147.3 Ų147.385%0.84680%0.799SS**  cis-129.3168.828.9-1680000113.7
2108A27.9Very low30Very low75 Ų75143.9 Ų143.962%0.6279%0.786SS**  trans-88.8160.4168.700000111.8
2109D32.9Very low30Very low151 Ų151144 Ų14481%0.80779%0.793SS**  -166.3115.3117.1-99.3-21.1000114.6
2110T32.1Very low29.9Very low121 Ų121143.1 Ų143.174%0.74279%0.791SS**  trans42.3136.3147.357.50000124.9
2111S32.2Very low30.2Very low127 Ų127141.4 Ų141.489%0.88879%0.787SS**  trans74139.816174.20000118.6
2112G29.1Very low30.3Very low73 Ų73140.9 Ų140.975%0.75378%0.784SS**  cis145.991-13.600000115.3
2113K34.5Very low30.6Very low157 Ų157139.9 Ų139.968%0.68378%0.78SS**  trans-157.4154.7165.9-102.5159.1-173.31770109.2E696E696-K2113 VanDerWaalsContact CD-NZ 3.28Å; E696-K2113 IonicContact OE1-NZ 3.2Å; E696-K2113 PolarHBondContact OE1-NZ 3.07Å; E696-K2113 IonicContact OE2-NZ 2.74Å
2114T28.2Very low31.7Very low135 Ų135135.4 Ų135.483%0.82877%0.77SS**  trans-116.4130.2-166.25.40000113.5
2115L34Very low32.9Very low151 Ų151125.3 Ų125.379%0.79175%0.745SS**  trans-133.6138.1151.7-72.290.3000105.1
2116T27.5Very low35.1Very low117 Ų117125 Ų12572%0.71875%0.746SS**  cis79.3142.436.471.50000114.9
2117T27.5Very low37.5Very low109 Ų109114.9 Ų114.967%0.66971%0.712SS**  trans73.2130176.627.80000118.7
2118D30.6Very low39.6Very low118 Ų118111.6 Ų111.663%0.63169%0.687SS**  trans74.459.6148.9-48.8-14.8000122.5S2120D2118-S2120 PolarHBondContact O-N 2.82Å
2119D28.8Very low42.1Very low181 Ų181111.4 Ų111.497%0.96867%0.67SS**  trans-72.865.7153.6-89.5-47.1000111.4
2120S28.5Very low44.1Very low97 Ų97104.6 Ų104.668%0.67863%0.634SS**  trans-139.58.9-178.769.10000116.8D2118D2118-S2120 PolarHBondContact O-N 2.82Å
2121T33.6Very low45.9Very low121 Ų121101.2 Ų101.274%0.74261%0.611SS**  trans-13699.6172.553.60000111.8
2122L30.7Very low47.9Very low158 Ų15895.4 Ų95.483%0.82757%0.571SS**PPolyproline II helixtrans-62.5137.6149.2-76.8169.1000107.4
2123P35.4Very low50Low105 Ų10591.9 Ų91.968%0.68254%0.535SS*.PPolyproline II helixtrans-58.2141.4175.226-33.8000109.4G2125P2123-G2125 PolarHBondContact O-N 2.86Å; P2123-G2125 VanDerWaalsContact O-N 3.12Å
2124P51.6Low51.8Low99 Ų9986.7 Ų86.764%0.64351%0.511SS*.PPolyproline II helixtrans-58.4122.2174.125.2-32.7000108.4
2125G58.2Low54Low42 Ų4280.3 Ų80.343%0.43347%0.472SS..PPolyproline II helixtrans-62.3161.4173.800000110.7P2123P2123-G2125 PolarHBondContact O-N 2.86Å; P2123-G2125 VanDerWaalsContact O-N 3.12Å
2126P72.8Confident55.2Low120 Ų12073.6 Ų73.678%0.77944%0.437SS*.PPolyproline II helixtrans-55.7139.9175.125.4-34.1000109.9
2127P79.3Confident56.8Low35 Ų3568.8 Ų68.823%0.22741%0.408CS..PPolyproline II helixtrans-64.3138.3-178.926.1-33.7000110.9Y2129 R2153 R2155P2127-Y2129 HydrophobicContact CG-CE2 4.03Å; P2127-Y2129 WeakPolarHBondContact O-CD2 3.41Å; P2127-Y2129 WeakPolarHBondContact O-CE2 3.25Å; P2127-R2153 WeakPolarHBondContact CA-O 3.37Å; P2127-R2155 VanDerWaalsContact CB-NH1 3.34Å
2128V76.5Confident58.4Low52 Ų5265.8 Ų65.832%0.31539%0.385SS..EExtended strand (participates in β ladder)trans-85.2118.1173.7-176.30000108L2130 R2153 V2154 R2155V2128-L2130 HydrophobicContact CG1-CD2 3.85Å; V2128-L2130 HydrophobicContact CG1-CG 4.16Å; V2128-R2153 PolarHBondContact N-O 3.06Å; V2128-V2154 HydrophobicContact CB-CG1 4.45Å; V2128-V2154 WeakPolarHBondContact O-CA 3.3Å; V2128-R2155 PolarHBondContact O-N 2.9Å
2129Y81.2Confident60.2Low70 Ų7060.6 Ų60.628%0.27536%0.357SS..EExtended strand (participates in β ladder)trans-93.4141.6171.1-54-90000109.2P2127 R2155 D2185 Y2188 L2189P2127-Y2129 HydrophobicContact CG-CE2 4.03Å; P2127-Y2129 WeakPolarHBondContact O-CD2 3.41Å; P2127-Y2129 WeakPolarHBondContact O-CE2 3.25Å; Y2129-R2155 CarbonylContact C-O 3.49Å; Y2129-R2155 WeakPolarHBondContact CA-O 3.44Å; Y2129-R2155 HydrophobicContact CD1-CB 4.43Å; Y2129-R2155 PolarHBondContact OH-NH1 3.46Å; Y2129-D2185 HydrophobicContact CE1-CB 4.27Å; Y2129-D2185 PolarHBondContact OH-OD1 3.22Å; Y2129-Y2188 AromaticContact CD1-CD1 3.5Å; Y2129-Y2188 HydrophobicContact CD1-CD1 3.5Å; Y2129-Y2188 VanDerWaalsContact CD1-CD1 3.5Å; Y2129-Y2188 AromaticContact CD1-CE1 3.95Å; Y2129-Y2188 HydrophobicContact CD1-CE1 3.95Å; Y2129-Y2188 HydrophobicContact CD1-CG 4.48Å; Y2129-Y2188 AromaticContact CD2-CD1 3.99Å; Y2129-Y2188 HydrophobicContact CD2-CD1 3.99Å; Y2129-Y2188 AromaticContact CD2-CE1 3.62Å; Y2129-Y2188 HydrophobicContact CD2-CE1 3.62Å; Y2129-Y2188 AromaticContact CE1-CD1 3.78Å; Y2129-Y2188 HydrophobicContact CE1-CD1 3.78Å; Y2129-Y2188 HydrophobicContact CE1-CE1 4.4Å; Y2129-Y2188 HydrophobicContact CE1-CG 4.38Å; Y2129-Y2188 HydrophobicContact CE2-CD1 4.24Å; Y2129-Y2188 HydrophobicContact CE2-CE1 4.12Å; Y2129-Y2188 AromaticContact CG-CD1 3.6Å; Y2129-Y2188 HydrophobicContact CG-CD1 3.6Å; Y2129-Y2188 AromaticContact CG-CE1 3.52Å; Y2129-Y2188 HydrophobicContact CG-CE1 3.52Å; Y2129-L2189 HydrophobicContact CD1-CD2 3.93Å; Y2129-L2189 HydrophobicContact CD1-CG 4.19Å
2130L73.8Confident62.1Low8 Ų853.9 Ų53.94%0.04232%0.322CS..EExtended strand (participates in β ladder)trans-139.9155.3-178.2-57.1172.4000109.9L427 C444 V446 V2128 I2133 V2154 R2155 A2156 K2157L427-L2130 HydrophobicContact CD1-CD2 4.35Å; C444-L2130 HydrophobicContact CB-CD2 3.71Å; V446-L2130 HydrophobicContact CB-CD1 3.86Å; V446-L2130 HydrophobicContact CG2-CD1 3.54Å; V446-L2130 HydrophobicContact CG2-CD2 3.68Å; V446-L2130 HydrophobicContact CG2-CG 4.25Å; V2128-L2130 HydrophobicContact CG1-CD2 3.85Å; V2128-L2130 HydrophobicContact CG1-CG 4.16Å; L2130-I2133 HydrophobicContact CD1-CB 4.06Å; L2130-I2133 HydrophobicContact CD1-CD1 4.38Å; L2130-I2133 HydrophobicContact CD1-CG1 4.11Å; L2130-V2154 HydrophobicContact CD1-CG1 3.49Å; L2130-V2154 VanDerWaalsContact CD1-CG1 3.49Å; L2130-V2154 HydrophobicContact CG-CG1 4.28Å; L2130-R2155 PolarHBondContact N-O 2.93Å; L2130-A2156 HydrophobicContact CB-CB 4.26Å; L2130-A2156 WeakPolarHBondContact O-CA 3.5Å; L2130-K2157 PolarHBondContact O-N 2.87Å; L2130-K2157 VanDerWaalsContact O-N 3.1Å
2131D70.1Confident64Low50 Ų5057.7 Ų57.727%0.26732%0.322SS..EExtended strand (participates in β ladder)trans-72.3-48.9168.1-44.6-70.2000109.3L443 K2157 L2158L443-D2131 HydrophobicContact CD1-CB 4.21Å; D2131-K2157 WeakPolarHBondContact O-CB 3.28Å; D2131-K2157 PolarHBondContact O-N 2.7Å; D2131-L2158 PolarHBondContact O-N 3.24Å
2132V74.1Confident65.7Low5 Ų553.9 Ų53.93%0.0330%0.299CS..EExtended strand (participates in β ladder)trans-131.1135.1-177-171.40000110.9L2158 I2160 L2266V2132-L2158 WeakPolarHBondContact CA-O 3.34Å; V2132-L2158 HydrophobicContact CG1-CB 4.45Å; V2132-L2158 HydrophobicContact CG1-CD2 4.1Å; V2132-L2158 HydrophobicContact CG1-CG 4.29Å; V2132-L2158 HydrophobicContact CG2-CB 4.29Å; V2132-L2158 HydrophobicContact CG2-CD2 4.14Å; V2132-I2160 HydrophobicContact CG1-CD1 3.52Å; V2132-I2160 HydrophobicContact CG1-CG1 3.99Å; V2132-L2266 HydrophobicContact CG2-CD1 3.77Å; V2132-L2266 HydrophobicContact CG2-CD2 3.53Å; V2132-L2266 HydrophobicContact CG2-CG 4.33Å
2133I73.4Confident68Low0 Ų050.3 Ų50.30%028%0.284CS..EExtended strand (participates in β ladder)trans-122.3130.4166.8-164-178.7000111.3L2130 V2135 F2150 V2154 A2156 L2158 Y2159 I2160L2130-I2133 HydrophobicContact CD1-CB 4.06Å; L2130-I2133 HydrophobicContact CD1-CD1 4.38Å; L2130-I2133 HydrophobicContact CD1-CG1 4.11Å; I2133-V2135 HydrophobicContact CG2-CG2 4.23Å; I2133-F2150 HydrophobicContact CD1-CE1 3.89Å; I2133-F2150 HydrophobicContact CD1-CE2 4.47Å; I2133-F2150 HydrophobicContact CD1-CZ 3.55Å; I2133-V2154 HydrophobicContact CD1-CB 4.04Å; I2133-V2154 HydrophobicContact CD1-CG1 3.52Å; I2133-V2154 HydrophobicContact CG1-CG1 4.49Å; I2133-A2156 HydrophobicContact CB-CB 3.79Å; I2133-A2156 HydrophobicContact CG2-CB 3.44Å; I2133-A2156 VanDerWaalsContact CG2-CB 3.44Å; I2133-L2158 PolarHBondContact N-O 2.93Å; I2133-Y2159 HydrophobicContact CG2-CD1 3.27Å; I2133-Y2159 HydrophobicContact CG2-CE1 3.55Å; I2133-Y2159 HydrophobicContact CG2-CG 3.85Å; I2133-I2160 PolarHBondContact O-N 3.49Å
2134W72Confident70.2Confident47 Ų4749.3 Ų49.318%0.17827%0.271CS..EExtended strand (participates in β ladder)trans-84122.2164.9-172-71.3000109.5V272 S282 C283 A284 P2136 I2160V272-W2134 HydrophobicContact CB-CZ3 4.34Å; V272-W2134 HydrophobicContact CG1-CH2 3.92Å; V272-W2134 HydrophobicContact CG1-CZ3 3.67Å; V272-W2134 HydrophobicContact CG2-CZ3 3.96Å; S282-W2134 VanDerWaalsContact CB-CH2 3.44Å; S282-W2134 VanDerWaalsContact CB-CZ2 3.4Å; S282-W2134 VanDerWaalsContact O-CZ2 3.23Å; S282-W2134 WeakPolarHBondContact O-CZ2 3.44Å; C283-W2134 VanDerWaalsContact O-CH2 3.32Å; C283-W2134 WeakPolarHBondContact O-CH2 3.34Å; A284-W2134 HydrophobicContact CB-CE3 4.33Å; A284-W2134 HydrophobicContact CB-CZ3 3.79Å; W2134-P2136 WeakPolarHBondContact O-CD 3.29Å; W2134-I2160 HydrophobicContact CE3-CG2 4.11Å; W2134-I2160 HydrophobicContact CZ3-CG2 4.28Å
2135V74.4Confident71.7Confident2 Ų248.5 Ų48.51%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-94.4110.6-178.9-177.90000109.4I2133 L2139 F2151 Y2159 I2160 L2161 I2170I2133-V2135 HydrophobicContact CG2-CG2 4.23Å; V2135-L2139 HydrophobicContact CG1-CD1 3.5Å; V2135-F2151 HydrophobicContact CG1-CE1 4.42Å; V2135-F2151 HydrophobicContact CG1-CZ 3.92Å; V2135-F2151 HydrophobicContact CG2-CE1 4.1Å; V2135-F2151 HydrophobicContact CG2-CZ 4.31Å; V2135-Y2159 HydrophobicContact CG2-CD1 3.96Å; V2135-I2160 WeakPolarHBondContact CB-O 3.14Å; V2135-I2160 PolarHBondContact N-O 2.63Å; V2135-L2161 HydrophobicContact CB-CD2 3.63Å; V2135-L2161 HydrophobicContact CG1-CD2 3.94Å; V2135-L2161 HydrophobicContact CG2-CD2 3.53Å; V2135-I2170 HydrophobicContact CG1-CD1 4.23Å; V2135-I2170 HydrophobicContact CG1-CG2 4.07Å
2136P59.7Low72.7Confident9 Ų951.2 Ų51.26%0.05827%0.271CS..  trans-69.8146-173.5-18.129.9000113.8P448 W2134 Y2138 L2139P448-P2136 HydrophobicContact CB-CG 4.47Å; P448-P2136 HydrophobicContact CG-CG 3.26Å; W2134-P2136 WeakPolarHBondContact O-CD 3.29Å; P2136-Y2138 VanDerWaalsContact C-N 3.25Å; P2136-Y2138 HydrophobicContact CB-CD1 3.72Å; P2136-Y2138 HydrophobicContact CB-CE1 3.26Å; P2136-Y2138 HydrophobicContact CB-CE2 4.18Å; P2136-Y2138 HydrophobicContact CB-CG 4.35Å; P2136-Y2138 HydrophobicContact CG-CE1 3.95Å; P2136-Y2138 PolarHBondContact O-N 2.87Å; P2136-L2139 WeakPolarHBondContact O-CB 2.11Å; P2136-L2139 PolarHBondContact O-N 2.72Å; P2136-L2139 VanDerWaalsContact O-N 3.08Å
2137S60.2Low73.2Confident16 Ų1645.6 Ų45.611%0.11224%0.235CC..G310 helixtrans-61.6-30.5-176.364.50000114.3Q281 L2139 A2165Q281-S2137 VanDerWaalsContact CG-OG 3.29Å; Q281-S2137 WeakPolarHBondContact CG-OG 3.44Å; Q281-S2137 PolarHBondContact NE2-OG 3.08Å; S2137-L2139 PolarHBondContact O-N 3.35Å; S2137-L2139 VanDerWaalsContact O-N 3.15Å; S2137-A2165 WeakPolarHBondContact O-CB 3.02Å
2138Y61Low73.6Confident47 Ų4744.3 Ų44.318%0.18423%0.226CC..G310 helixtrans-69.9-7.4178.963.1-104.2000114D324 P448 V450 P2136 V2140 R2141 V2142D324-Y2138 HydrophobicContact CB-CE1 4.42Å; D324-Y2138 WeakPolarHBondContact OD2-CD1 3.31Å; P448-Y2138 PolarHBondContact O-OH 3.14Å; V450-Y2138 HydrophobicContact CG2-CD1 3.66Å; V450-Y2138 HydrophobicContact CG2-CD2 4.2Å; V450-Y2138 HydrophobicContact CG2-CE1 3.2Å; V450-Y2138 HydrophobicContact CG2-CE2 3.84Å; V450-Y2138 HydrophobicContact CG2-CG 4.14Å; P2136-Y2138 VanDerWaalsContact C-N 3.25Å; P2136-Y2138 HydrophobicContact CB-CD1 3.72Å; P2136-Y2138 HydrophobicContact CB-CE1 3.26Å; P2136-Y2138 HydrophobicContact CB-CE2 4.18Å; P2136-Y2138 HydrophobicContact CB-CG 4.35Å; P2136-Y2138 HydrophobicContact CG-CE1 3.95Å; P2136-Y2138 PolarHBondContact O-N 2.87Å; Y2138-V2140 VanDerWaalsContact C-N 3.27Å; Y2138-V2140 PolarHBondContact O-N 2.67Å; Y2138-R2141 WeakPolarHBondContact O-CA 2.13Å; Y2138-R2141 WeakPolarHBondContact O-CB 2.11Å; Y2138-R2141 PolarHBondContact O-N 3.31Å; Y2138-V2142 PolarHBondContact O-N 3.2Å
2139L68.2Low73.9Confident9 Ų944.7 Ų44.75%0.04723%0.225CC..G310 helixtrans-60-35.9176.8-87.9165.3000112.3V2135 P2136 S2137 R2141 V2142 M2147 F2150 I2170V2135-L2139 HydrophobicContact CG1-CD1 3.5Å; P2136-L2139 WeakPolarHBondContact O-CB 2.11Å; P2136-L2139 PolarHBondContact O-N 2.72Å; P2136-L2139 VanDerWaalsContact O-N 3.08Å; S2137-L2139 PolarHBondContact O-N 3.35Å; S2137-L2139 VanDerWaalsContact O-N 3.15Å; L2139-R2141 PolarHBondContact O-N 3.16Å; L2139-R2141 VanDerWaalsContact O-N 3.1Å; L2139-V2142 HydrophobicContact CD2-CG2 4.02Å; L2139-V2142 VanDerWaalsContact O-CG2 3.31Å; L2139-V2142 WeakPolarHBondContact O-CG2 2.13Å; L2139-V2142 PolarHBondContact O-N 3.27Å; L2139-V2142 VanDerWaalsContact O-N 3.07Å; L2139-M2147 HydrophobicContact CB-CG 4.34Å; L2139-M2147 HydrophobicContact CB-SD 4.49Å; L2139-M2147 HydrophobicContact CD2-CB 4.49Å; L2139-M2147 HydrophobicContact CD2-CG 4.08Å; L2139-M2147 VanDerWaalsContact O-CE 3.27Å; L2139-M2147 WeakPolarHBondContact O-CE 3.29Å; L2139-M2147 VanDerWaalsContact O-CG 3.27Å; L2139-M2147 WeakPolarHBondContact O-CG 3.47Å; L2139-F2150 HydrophobicContact CD1-CD1 3.87Å; L2139-F2150 HydrophobicContact CD1-CE1 3.68Å; L2139-F2150 HydrophobicContact CD1-CZ 4.22Å; L2139-F2150 HydrophobicContact CD2-CB 4.43Å; L2139-F2150 HydrophobicContact CD2-CD1 4.27Å; L2139-F2150 HydrophobicContact CD2-CG 4.31Å; L2139-I2170 HydrophobicContact CB-CD1 4.45Å
2140V69.9Low74.1Confident39 Ų3943.1 Ų43.124%0.23622%0.219CC..G310 helixtrans-56.2-30173.2-1750000112Y2138 A2165 H2167 I2170Y2138-V2140 VanDerWaalsContact C-N 3.27Å; Y2138-V2140 PolarHBondContact O-N 2.67Å; V2140-A2165 HydrophobicContact CG2-CB 3.76Å; V2140-A2165 WeakPolarHBondContact CG2-O 3.33Å; V2140-H2167 HydrophobicContact CB-CB 4.49Å; V2140-H2167 HydrophobicContact CG1-CB 3.76Å; V2140-H2167 HydrophobicContact CG2-CB 3.81Å; V2140-I2170 HydrophobicContact CG2-CD1 3.8Å; V2140-I2170 HydrophobicContact CG2-CG1 3.86Å
2141R67.5Low74.8Confident178 Ų17842.7 Ų42.767%0.67222%0.217SC*.G310 helixtrans-87.9-6.6-176.2-50-175.4-174.2-164.31.1113.2Y2138 L2139 E2164Y2138-R2141 WeakPolarHBondContact O-CA 2.13Å; Y2138-R2141 WeakPolarHBondContact O-CB 2.11Å; Y2138-R2141 PolarHBondContact O-N 3.31Å; L2139-R2141 PolarHBondContact O-N 3.16Å; L2139-R2141 VanDerWaalsContact O-N 3.1Å; R2141-E2164 IonicContact NH2-OE2 3.88Å; R2141-E2164 PolarHBondContact NH2-OE2 3.23Å
2142V70.2Confident75.7Confident41 Ų4141.7 Ų41.725%0.24821%0.211CC..SBendtrans-93.7151.5169.7-49.70000110.5Y2138 L2139 Q2144 L2146 M2147Y2138-V2142 PolarHBondContact O-N 3.2Å; L2139-V2142 HydrophobicContact CD2-CG2 4.02Å; L2139-V2142 VanDerWaalsContact O-CG2 3.31Å; L2139-V2142 WeakPolarHBondContact O-CG2 2.13Å; L2139-V2142 PolarHBondContact O-N 3.27Å; L2139-V2142 VanDerWaalsContact O-N 3.07Å; V2142-Q2144 PolarHBondContact O-N 2.93Å; V2142-L2146 HydrophobicContact CB-CB 4.26Å; V2142-L2146 HydrophobicContact CB-CD1 4.45Å; V2142-L2146 HydrophobicContact CG2-CB 3.81Å; V2142-M2147 HydrophobicContact CG2-CG 3.73Å; V2142-M2147 WeakPolarHBondContact O-CE 3.43Å
2143P79.2Confident76.2Confident82 Ų8246.6 Ų46.653%0.53223%0.23SC..  trans-51.4141.3173.4-28.835.7000112.2S2145 L2146 M2147P2143-S2145 PolarHBondContact O-N 3.01Å; P2143-L2146 WeakPolarHBondContact O-CA 2.86Å; P2143-L2146 WeakPolarHBondContact O-CB 3.19Å; P2143-L2146 PolarHBondContact O-N 2.87Å; P2143-M2147 PolarHBondContact O-N 3.48Å
2144Q80.7Confident76.7Confident84 Ų8447.4 Ų47.439%0.39323%0.234SC..Hα-helixtrans-54.5-30.4-177.2-167.7-173.27.500112.9V2142 L2146 M2147 V2148 A2173V2142-Q2144 PolarHBondContact O-N 2.93Å; Q2144-L2146 VanDerWaalsContact C-N 3.3Å; Q2144-L2146 PolarHBondContact O-N 3.39Å; Q2144-M2147 PolarHBondContact O-N 2.8Å; Q2144-V2148 HydrophobicContact CG-CG2 4.45Å; Q2144-V2148 WeakPolarHBondContact O-CB 3.4Å; Q2144-V2148 VanDerWaalsContact O-CG2 3.29Å; Q2144-V2148 WeakPolarHBondContact O-CG2 3.45Å; Q2144-V2148 PolarHBondContact O-N 3.19Å; Q2144-A2173 HydrophobicContact CG-CB 4.37Å
2145S84Confident77.4Confident82 Ų8245.6 Ų45.657%0.57323%0.227SC*.Hα-helixtrans-59.7-35.8172.450.80000113.5P2143 E2149P2143-S2145 PolarHBondContact O-N 3.01Å; S2145-E2149 VanDerWaalsContact O-CB 3.3Å; S2145-E2149 WeakPolarHBondContact O-CB 3.47Å; S2145-E2149 PolarHBondContact O-N 3.02Å
2146L78.6Confident77.9Confident99 Ų9945.5 Ų45.552%0.51823%0.227SC..Hα-helixtrans-78.7-33175.2-62.4-173.4000112.5V2142 P2143 Q2144 E2149 F2150V2142-L2146 HydrophobicContact CB-CB 4.26Å; V2142-L2146 HydrophobicContact CB-CD1 4.45Å; V2142-L2146 HydrophobicContact CG2-CB 3.81Å; P2143-L2146 WeakPolarHBondContact O-CA 2.86Å; P2143-L2146 WeakPolarHBondContact O-CB 3.19Å; P2143-L2146 PolarHBondContact O-N 2.87Å; Q2144-L2146 VanDerWaalsContact C-N 3.3Å; Q2144-L2146 PolarHBondContact O-N 3.39Å; L2146-E2149 PolarHBondContact O-N 2.83Å; L2146-F2150 WeakPolarHBondContact O-CB 3.17Å; L2146-F2150 PolarHBondContact O-N 3.3Å
2147M83.7Confident79.1Confident2 Ų247.9 Ų47.91%0.0124%0.236CC..Hα-helixtrans-62.6-44.9169.5-62-167.8-125.200111.1L2139 V2142 P2143 Q2144 F2150 F2151 N2169 I2170 A2173L2139-M2147 HydrophobicContact CB-CG 4.34Å; L2139-M2147 HydrophobicContact CB-SD 4.49Å; L2139-M2147 HydrophobicContact CD2-CB 4.49Å; L2139-M2147 HydrophobicContact CD2-CG 4.08Å; L2139-M2147 VanDerWaalsContact O-CE 3.27Å; L2139-M2147 WeakPolarHBondContact O-CE 3.29Å; L2139-M2147 VanDerWaalsContact O-CG 3.27Å; L2139-M2147 WeakPolarHBondContact O-CG 3.47Å; V2142-M2147 HydrophobicContact CG2-CG 3.73Å; V2142-M2147 WeakPolarHBondContact O-CE 3.43Å; P2143-M2147 PolarHBondContact O-N 3.48Å; Q2144-M2147 PolarHBondContact O-N 2.8Å; M2147-F2150 WeakPolarHBondContact O-CB 3.48Å; M2147-F2150 PolarHBondContact O-N 2.93Å; M2147-F2151 WeakPolarHBondContact O-CD2 3.46Å; M2147-F2151 PolarHBondContact O-N 3.45Å; M2147-N2169 HydrophobicContact CE-CB 3.91Å; M2147-N2169 HydrophobicContact SD-CB 4.49Å; M2147-I2170 HydrophobicContact SD-CG1 4.32Å; M2147-A2173 HydrophobicContact CB-CB 3.48Å; M2147-A2173 VanDerWaalsContact CB-CB 3.48Å; M2147-A2173 HydrophobicContact CG-CB 4.49Å; M2147-A2173 HydrophobicContact SD-CB 4.24Å
2148V87Confident80.1Confident8 Ų847.8 Ų47.85%0.04824%0.235CC..Hα-helixtrans-63.6-44.2176.1168.70000110.8Q2144 F2150 F2151 I2152 A2173 T2176 A2177 K2180Q2144-V2148 HydrophobicContact CG-CG2 4.45Å; Q2144-V2148 WeakPolarHBondContact O-CB 3.4Å; Q2144-V2148 VanDerWaalsContact O-CG2 3.29Å; Q2144-V2148 WeakPolarHBondContact O-CG2 3.45Å; Q2144-V2148 PolarHBondContact O-N 3.19Å; V2148-F2150 VanDerWaalsContact C-N 3.31Å; V2148-F2150 PolarHBondContact O-N 2.86Å; V2148-F2151 CarbonylContact O-C 3.38Å; V2148-F2151 PolarHBondContact O-N 2.84Å; V2148-I2152 HydrophobicContact CG1-CD1 3.86Å; V2148-I2152 HydrophobicContact CG1-CG1 4.37Å; V2148-I2152 VanDerWaalsContact O-CG1 3.24Å; V2148-I2152 WeakPolarHBondContact O-CG1 3.22Å; V2148-I2152 PolarHBondContact O-N 2.8Å; V2148-A2173 HydrophobicContact CG2-CB 3.86Å; V2148-T2176 HydrophobicContact CG1-CG2 4.24Å; V2148-T2176 HydrophobicContact CG2-CG2 3.79Å; V2148-A2177 HydrophobicContact CG1-CB 4.4Å; V2148-K2180 HydrophobicContact CG1-CD 4.39Å
2149E82.8Confident81.4Confident60 Ų6045.6 Ų45.628%0.2823%0.226SC..Hα-helixtrans-64.2-34.2177.2-170.464.8-169.500112.7S2145 L2146 R2153S2145-E2149 VanDerWaalsContact O-CB 3.3Å; S2145-E2149 WeakPolarHBondContact O-CB 3.47Å; S2145-E2149 PolarHBondContact O-N 3.02Å; L2146-E2149 PolarHBondContact O-N 2.83Å; E2149-R2153 WeakPolarHBondContact O-CB 3.44Å; E2149-R2153 VanDerWaalsContact O-CG 3.27Å; E2149-R2153 WeakPolarHBondContact O-CG 3.37Å; E2149-R2153 PolarHBondContact O-N 2.88Å; E2149-R2153 IonicContact OE1-CZ 3.03Å; E2149-R2153 IonicContact OE1-NE 2.76Å; E2149-R2153 PolarHBondContact OE1-NE 3.34Å; E2149-R2153 IonicContact OE1-NH2 3.08Å; E2149-R2153 PolarHBondContact OE1-NH2 2.88Å
2150F84.7Confident81.9Confident37 Ų3745.5 Ų45.516%0.16223%0.226CC..Hα-helixtrans-61.7-51.8171172.6-99.8000111.3I2133 L2139 L2146 M2147 V2148 I2152 R2153 V2154I2133-F2150 HydrophobicContact CD1-CE1 3.89Å; I2133-F2150 HydrophobicContact CD1-CE2 4.47Å; I2133-F2150 HydrophobicContact CD1-CZ 3.55Å; L2139-F2150 HydrophobicContact CD1-CD1 3.87Å; L2139-F2150 HydrophobicContact CD1-CE1 3.68Å; L2139-F2150 HydrophobicContact CD1-CZ 4.22Å; L2139-F2150 HydrophobicContact CD2-CB 4.43Å; L2139-F2150 HydrophobicContact CD2-CD1 4.27Å; L2139-F2150 HydrophobicContact CD2-CG 4.31Å; L2146-F2150 WeakPolarHBondContact O-CB 3.17Å; L2146-F2150 PolarHBondContact O-N 3.3Å; M2147-F2150 WeakPolarHBondContact O-CB 3.48Å; M2147-F2150 PolarHBondContact O-N 2.93Å; V2148-F2150 VanDerWaalsContact C-N 3.31Å; V2148-F2150 PolarHBondContact O-N 2.86Å; F2150-I2152 VanDerWaalsContact C-N 3.31Å; F2150-I2152 PolarHBondContact O-N 3.03Å; F2150-R2153 PolarHBondContact O-N 3.27Å; F2150-R2153 VanDerWaalsContact O-N 3.14Å; F2150-V2154 HydrophobicContact CD2-CG2 4.35Å; F2150-V2154 HydrophobicContact CE2-CG2 4.29Å; F2150-V2154 PolarHBondContact O-N 2.79Å
2151F90.1Very high82.3Confident0 Ų043.8 Ų43.80%022%0.215CC..Hα-helixtrans-74.1-12.8179.3-66.3-52.3000114.9V2135 M2147 V2148 Y2159 I2170 A2173 L2174 A2177 W2181V2135-F2151 HydrophobicContact CG1-CE1 4.42Å; V2135-F2151 HydrophobicContact CG1-CZ 3.92Å; V2135-F2151 HydrophobicContact CG2-CE1 4.1Å; V2135-F2151 HydrophobicContact CG2-CZ 4.31Å; M2147-F2151 WeakPolarHBondContact O-CD2 3.46Å; M2147-F2151 PolarHBondContact O-N 3.45Å; V2148-F2151 CarbonylContact O-C 3.38Å; V2148-F2151 PolarHBondContact O-N 2.84Å; F2151-Y2159 HydrophobicContact CD1-CD1 4.43Å; F2151-Y2159 AromaticContact CD1-CE1 3.69Å; F2151-Y2159 HydrophobicContact CD1-CE1 3.69Å; F2151-Y2159 AromaticContact CE1-CD1 3.92Å; F2151-Y2159 HydrophobicContact CE1-CD1 3.92Å; F2151-Y2159 AromaticContact CE1-CE1 3.64Å; F2151-Y2159 HydrophobicContact CE1-CE1 3.64Å; F2151-I2170 HydrophobicContact CE2-CG2 4.06Å; F2151-I2170 HydrophobicContact CZ-CG2 3.9Å; F2151-A2173 HydrophobicContact CD2-CB 4.15Å; F2151-A2173 HydrophobicContact CE2-CB 4.28Å; F2151-L2174 HydrophobicContact CB-CD1 4.26Å; F2151-L2174 HydrophobicContact CD1-CD1 3.89Å; F2151-L2174 HydrophobicContact CD2-CB 4Å; F2151-L2174 HydrophobicContact CD2-CD1 4.41Å; F2151-L2174 HydrophobicContact CE1-CD1 4.27Å; F2151-L2174 HydrophobicContact CE2-CB 4.01Å; F2151-L2174 HydrophobicContact CG-CB 4.41Å; F2151-L2174 HydrophobicContact CG-CD1 3.96Å; F2151-L2174 HydrophobicContact CZ-CB 4.41Å; F2151-A2177 HydrophobicContact CB-CB 3.32Å; F2151-W2181 PolarHBondContact O-NE1 3.4Å
2152I88.6Confident82.2Confident28 Ų2835.5 Ų35.514%0.14418%0.184CC..Hα-helixtrans-72.8-44.7165.4-71.9164.4000109.8V2148 F2150 R2155 A2177 K2180V2148-I2152 HydrophobicContact CG1-CD1 3.86Å; V2148-I2152 HydrophobicContact CG1-CG1 4.37Å; V2148-I2152 VanDerWaalsContact O-CG1 3.24Å; V2148-I2152 WeakPolarHBondContact O-CG1 3.22Å; V2148-I2152 PolarHBondContact O-N 2.8Å; F2150-I2152 VanDerWaalsContact C-N 3.31Å; F2150-I2152 PolarHBondContact O-N 3.03Å; I2152-R2155 PolarHBondContact O-NE 3.27Å; I2152-R2155 VanDerWaalsContact O-NE 3.14Å; I2152-A2177 HydrophobicContact CG1-CB 4.15Å; I2152-K2180 HydrophobicContact CD1-CB 4.42Å; I2152-K2180 HydrophobicContact CD1-CD 3.47Å; I2152-K2180 VanDerWaalsContact CD1-CD 3.47Å; I2152-K2180 HydrophobicContact CG1-CB 4.24Å; I2152-K2180 HydrophobicContact CG1-CD 4.04Å
2153R84.2Confident81.5Confident109 Ų10933.6 Ų33.641%0.41117%0.173SC..Hα-helixtrans-84.7-25.6-172.5-68.5176-173.9-150.62.7114.3P2127 V2128 E2149 F2150P2127-R2153 WeakPolarHBondContact CA-O 3.37Å; V2128-R2153 PolarHBondContact N-O 3.06Å; E2149-R2153 WeakPolarHBondContact O-CB 3.44Å; E2149-R2153 VanDerWaalsContact O-CG 3.27Å; E2149-R2153 WeakPolarHBondContact O-CG 3.37Å; E2149-R2153 PolarHBondContact O-N 2.88Å; E2149-R2153 IonicContact OE1-CZ 3.03Å; E2149-R2153 IonicContact OE1-NE 2.76Å; E2149-R2153 PolarHBondContact OE1-NE 3.34Å; E2149-R2153 IonicContact OE1-NH2 3.08Å; E2149-R2153 PolarHBondContact OE1-NH2 2.88Å; F2150-R2153 PolarHBondContact O-N 3.27Å; F2150-R2153 VanDerWaalsContact O-N 3.14Å
2154V83.3Confident80.1Confident16 Ų1633.1 Ų33.110%0.09716%0.163CC..EExtended strand (participates in β ladder)trans-128.2124-179.2-160.90000109.2V2128 L2130 I2133 F2150V2128-V2154 HydrophobicContact CB-CG1 4.45Å; V2128-V2154 WeakPolarHBondContact O-CA 3.3Å; L2130-V2154 HydrophobicContact CD1-CG1 3.49Å; L2130-V2154 VanDerWaalsContact CD1-CG1 3.49Å; L2130-V2154 HydrophobicContact CG-CG1 4.28Å; I2133-V2154 HydrophobicContact CD1-CB 4.04Å; I2133-V2154 HydrophobicContact CD1-CG1 3.52Å; I2133-V2154 HydrophobicContact CG1-CG1 4.49Å; F2150-V2154 HydrophobicContact CD2-CG2 4.35Å; F2150-V2154 HydrophobicContact CE2-CG2 4.29Å; F2150-V2154 PolarHBondContact O-N 2.79Å
2155R88.1Confident78.7Confident9 Ų929.6 Ų29.63%0.03415%0.148CC..EExtended strand (participates in β ladder)trans-134134.6-170.7-50.5179.7-171.5164.2-26.2109.5P2127 V2128 Y2129 L2130 I2152 Y2159 W2181 D2185 L2189P2127-R2155 VanDerWaalsContact CB-NH1 3.34Å; V2128-R2155 PolarHBondContact O-N 2.9Å; Y2129-R2155 CarbonylContact C-O 3.49Å; Y2129-R2155 WeakPolarHBondContact CA-O 3.44Å; Y2129-R2155 HydrophobicContact CD1-CB 4.43Å; Y2129-R2155 PolarHBondContact OH-NH1 3.46Å; L2130-R2155 PolarHBondContact N-O 2.93Å; I2152-R2155 PolarHBondContact O-NE 3.27Å; I2152-R2155 VanDerWaalsContact O-NE 3.14Å; R2155-Y2159 WeakPolarHBondContact CA-OH 3.12Å; R2155-W2181 HydrophobicContact CB-CH2 4Å; R2155-W2181 HydrophobicContact CB-CZ2 3.98Å; R2155-W2181 HydrophobicContact CB-CZ3 4.46Å; R2155-W2181 HydrophobicContact CG-CD2 4.34Å; R2155-W2181 HydrophobicContact CG-CH2 4.22Å; R2155-W2181 HydrophobicContact CG-CZ2 3.74Å; R2155-D2185 IonicContact CZ-OD1 2.74Å; R2155-D2185 IonicContact CZ-OD2 3.89Å; R2155-D2185 IonicContact NE-OD2 2.98Å; R2155-D2185 IonicContact NH1-OD1 3.8Å; R2155-D2185 PolarHBondContact NH1-OD1 2.95Å; R2155-D2185 IonicContact NH1-OD2 3.09Å; R2155-D2185 PolarHBondContact NH1-OD2 2.85Å; R2155-D2185 IonicContact NH2-OD2 3.76Å; R2155-D2185 PolarHBondContact NH2-OD2 3.15Å; R2155-L2189 HydrophobicContact CB-CD1 4.19Å
2156A84.8Confident77.9Confident0 Ų025.8 Ų25.80%012%0.122CC..EExtended strand (participates in β ladder)trans-132156.4-175.300000113.1L2130 I2133 L2158 Y2159 I2201L2130-A2156 HydrophobicContact CB-CB 4.26Å; L2130-A2156 WeakPolarHBondContact O-CA 3.5Å; I2133-A2156 HydrophobicContact CB-CB 3.79Å; I2133-A2156 HydrophobicContact CG2-CB 3.44Å; I2133-A2156 VanDerWaalsContact CG2-CB 3.44Å; A2156-L2158 WeakPolarHBondContact CB-O 3.41Å; A2156-Y2159 HydrophobicContact CB-CD2 4.32Å; A2156-Y2159 HydrophobicContact CB-CE2 4.04Å; A2156-Y2159 PolarHBondContact N-OH 2.84Å; A2156-Y2159 VanDerWaalsContact O-CE2 3.24Å; A2156-Y2159 WeakPolarHBondContact O-CE2 2.98Å; A2156-I2201 WeakPolarHBondContact O-CG2 3.34Å
2157K83.5Confident77.6Confident59 Ų5923.6 Ų23.626%0.25711%0.109SC..EExtended strand (participates in β ladder)trans-71.3-38.9166.9-172.7-172.6179.6-173.80110.6L2130 D2131 D2193 T2202L2130-K2157 PolarHBondContact O-N 2.87Å; L2130-K2157 VanDerWaalsContact O-N 3.1Å; D2131-K2157 WeakPolarHBondContact O-CB 3.28Å; D2131-K2157 PolarHBondContact O-N 2.7Å; K2157-D2193 WeakPolarHBondContact CE-OD2 3.27Å; K2157-D2193 IonicContact NZ-OD1 2.61Å; K2157-D2193 PolarHBondContact NZ-OD1 2.69Å; K2157-D2193 IonicContact NZ-OD2 2.64Å; K2157-D2193 PolarHBondContact NZ-OD2 2.74Å; K2157-T2202 PolarHBondContact O-N 2.81Å
2158L83.1Confident77.4Confident15 Ų1524.4 Ų24.48%0.07911%0.114CC..EExtended strand (participates in β ladder)trans-121.8127176.3177.461.9000112.1D2131 V2132 I2133 A2156 I2160 T2202 L2204 V2264D2131-L2158 PolarHBondContact O-N 3.24Å; V2132-L2158 WeakPolarHBondContact CA-O 3.34Å; V2132-L2158 HydrophobicContact CG1-CB 4.45Å; V2132-L2158 HydrophobicContact CG1-CD2 4.1Å; V2132-L2158 HydrophobicContact CG1-CG 4.29Å; V2132-L2158 HydrophobicContact CG2-CB 4.29Å; V2132-L2158 HydrophobicContact CG2-CD2 4.14Å; I2133-L2158 PolarHBondContact N-O 2.93Å; A2156-L2158 WeakPolarHBondContact CB-O 3.41Å; L2158-I2160 HydrophobicContact CD2-CD1 4.38Å; L2158-I2160 HydrophobicContact CD2-CG1 4.27Å; L2158-I2160 HydrophobicContact CG-CG1 4.14Å; L2158-T2202 CarbonylContact C-O 3.49Å; L2158-T2202 WeakPolarHBondContact CA-O 3.5Å; L2158-T2202 HydrophobicContact CD1-CG2 3.59Å; L2158-L2204 HydrophobicContact CD1-CB 3.99Å; L2158-V2264 HydrophobicContact CD2-CG1 4Å
2159Y87Confident77.3Confident0 Ų026.7 Ų26.70%013%0.126CC..EExtended strand (participates in β ladder)trans-107.3113172.8-72.9-95.9000110.9I2133 V2135 F2151 R2155 A2156 L2174 W2181 I2201 T2202 I2203 L2204I2133-Y2159 HydrophobicContact CG2-CD1 3.27Å; I2133-Y2159 HydrophobicContact CG2-CE1 3.55Å; I2133-Y2159 HydrophobicContact CG2-CG 3.85Å; V2135-Y2159 HydrophobicContact CG2-CD1 3.96Å; F2151-Y2159 HydrophobicContact CD1-CD1 4.43Å; F2151-Y2159 AromaticContact CD1-CE1 3.69Å; F2151-Y2159 HydrophobicContact CD1-CE1 3.69Å; F2151-Y2159 AromaticContact CE1-CD1 3.92Å; F2151-Y2159 HydrophobicContact CE1-CD1 3.92Å; F2151-Y2159 AromaticContact CE1-CE1 3.64Å; F2151-Y2159 HydrophobicContact CE1-CE1 3.64Å; R2155-Y2159 WeakPolarHBondContact CA-OH 3.12Å; A2156-Y2159 HydrophobicContact CB-CD2 4.32Å; A2156-Y2159 HydrophobicContact CB-CE2 4.04Å; A2156-Y2159 PolarHBondContact N-OH 2.84Å; A2156-Y2159 VanDerWaalsContact O-CE2 3.24Å; A2156-Y2159 WeakPolarHBondContact O-CE2 2.98Å; Y2159-L2174 HydrophobicContact CD1-CD1 4.33Å; Y2159-L2174 HydrophobicContact CD1-CD2 4.29Å; Y2159-L2174 HydrophobicContact CD2-CD2 4.47Å; Y2159-L2174 HydrophobicContact CE1-CD1 3.75Å; Y2159-L2174 HydrophobicContact CE2-CD1 4.2Å; Y2159-L2174 HydrophobicContact CG-CD2 4.27Å; Y2159-W2181 WeakPolarHBondContact OH-CH2 3.37Å; Y2159-W2181 WeakPolarHBondContact OH-CZ2 3.39Å; Y2159-I2201 HydrophobicContact CD2-CG2 3.69Å; Y2159-I2201 HydrophobicContact CE2-CG2 3.58Å; Y2159-T2202 PolarHBondContact N-O 3.43Å; Y2159-I2203 WeakPolarHBondContact O-CA 3.17Å; Y2159-L2204 PolarHBondContact O-N 2.81Å
2160I79.7Confident77.4Confident8 Ų824 Ų244%0.04111%0.114CC..EExtended strand (participates in β ladder)trans-93.9114.5175.5-54.6178.9000108.4V272 V2132 I2133 W2134 V2135 L2158 L2204 T2206V272-I2160 HydrophobicContact CG1-CG2 4.35Å; V272-I2160 HydrophobicContact CG2-CD1 4.08Å; V2132-I2160 HydrophobicContact CG1-CD1 3.52Å; V2132-I2160 HydrophobicContact CG1-CG1 3.99Å; I2133-I2160 PolarHBondContact O-N 3.49Å; W2134-I2160 HydrophobicContact CE3-CG2 4.11Å; W2134-I2160 HydrophobicContact CZ3-CG2 4.28Å; V2135-I2160 WeakPolarHBondContact CB-O 3.14Å; V2135-I2160 PolarHBondContact N-O 2.63Å; L2158-I2160 HydrophobicContact CD2-CD1 4.38Å; L2158-I2160 HydrophobicContact CD2-CG1 4.27Å; L2158-I2160 HydrophobicContact CG-CG1 4.14Å; I2160-L2204 WeakPolarHBondContact CA-O 3.27Å; I2160-T2206 HydrophobicContact CG2-CG2 3.71Å
2161L77.7Confident77.4Confident3 Ų322.3 Ų22.32%0.01611%0.106CC..EExtended strand (participates in β ladder)trans-101.8126-178.1-52.5-172.1000109.6V2135 L2166 I2170 I2203 L2204 T2206 W2212V2135-L2161 HydrophobicContact CB-CD2 3.63Å; V2135-L2161 HydrophobicContact CG1-CD2 3.94Å; V2135-L2161 HydrophobicContact CG2-CD2 3.53Å; L2161-L2166 HydrophobicContact CB-CD1 4.3Å; L2161-L2166 HydrophobicContact CB-CD2 3.83Å; L2161-L2166 HydrophobicContact CB-CG 3.98Å; L2161-L2166 HydrophobicContact CD1-CD2 4.24Å; L2161-L2166 WeakPolarHBondContact O-CD1 3.22Å; L2161-I2170 HydrophobicContact CD2-CG2 4.13Å; L2161-I2203 HydrophobicContact CD1-CG2 3.56Å; L2161-I2203 HydrophobicContact CG-CG2 3.88Å; L2161-L2204 PolarHBondContact N-O 3.41Å; L2161-T2206 PolarHBondContact O-N 3.45Å; L2161-T2206 PolarHBondContact O-OG1 3.43Å; L2161-W2212 HydrophobicContact CD1-CH2 3.58Å; L2161-W2212 HydrophobicContact CD1-CZ2 3.97Å; L2161-W2212 HydrophobicContact CD1-CZ3 4.33Å
2162S65Low77.3Confident4 Ų422.6 Ų22.63%0.02811%0.107CC..  trans-116.8117.4-161.7144.10000116S282 T2206S282-S2162 WeakPolarHBondContact CB-OG 3.07Å; S282-S2162 PolarHBondContact N-OG 3.31Å; S2162-T2206 WeakPolarHBondContact CA-OG1 3.19Å
2163G56.8Low77.4Confident0 Ų021.2 Ų21.20%010%0.101CC..G310 helixtrans68.1-151.1162.600000116.3A2165 L2166 T2206G2163-A2165 PolarHBondContact O-N 3.33Å; G2163-L2166 VanDerWaalsContact O-CD1 3.22Å; G2163-L2166 WeakPolarHBondContact O-CD1 3.22Å; G2163-L2166 PolarHBondContact O-N 3.04Å; G2163-T2206 PolarHBondContact N-OG1 2.98Å
2164E48.4Very low77.7Confident73 Ų7316.1 Ų16.134%0.3418%0.081SC..G310 helixtrans-40.3-24.8-179.5-169.2-165-142.500115.6V278 R2141V278-E2164 VanDerWaalsContact CG1-OE1 3.27Å; V278-E2164 WeakPolarHBondContact CG1-OE1 3.42Å; R2141-E2164 IonicContact NH2-OE2 3.88Å; R2141-E2164 PolarHBondContact NH2-OE2 3.23Å
2165A52.1Low78Confident9 Ų916 Ų167%0.0748%0.08CC..G310 helixtrans-94.810.9-175.300000115.5S2137 V2140 G2163 H2167 I2170S2137-A2165 WeakPolarHBondContact O-CB 3.02Å; V2140-A2165 HydrophobicContact CG2-CB 3.76Å; V2140-A2165 WeakPolarHBondContact CG2-O 3.33Å; G2163-A2165 PolarHBondContact O-N 3.33Å; A2165-H2167 PolarHBondContact O-N 3.47Å; A2165-I2170 WeakPolarHBondContact O-CD1 3.33Å
2166L66.2Low78.1Confident3 Ų318 Ų182%0.0169%0.093CC..  trans-67.377.4158.7-80.9109.5000109.5L2161 G2163 P2205 D2207 P2209 W2212L2161-L2166 HydrophobicContact CB-CD1 4.3Å; L2161-L2166 HydrophobicContact CB-CD2 3.83Å; L2161-L2166 HydrophobicContact CB-CG 3.98Å; L2161-L2166 HydrophobicContact CD1-CD2 4.24Å; L2161-L2166 WeakPolarHBondContact O-CD1 3.22Å; G2163-L2166 VanDerWaalsContact O-CD1 3.22Å; G2163-L2166 WeakPolarHBondContact O-CD1 3.22Å; G2163-L2166 PolarHBondContact O-N 3.04Å; L2166-P2205 HydrophobicContact CD2-CB 3.52Å; L2166-D2207 HydrophobicContact CD1-CB 4.35Å; L2166-D2207 VanDerWaalsContact CD1-O 3.27Å; L2166-D2207 WeakPolarHBondContact CD1-O 3.29Å; L2166-P2209 HydrophobicContact CB-CG 3.65Å; L2166-P2209 VanDerWaalsContact O-CG 3.26Å; L2166-P2209 WeakPolarHBondContact O-CG 3.24Å; L2166-W2212 HydrophobicContact CB-CB 4.16Å; L2166-W2212 HydrophobicContact CB-CD2 4.13Å; L2166-W2212 HydrophobicContact CB-CE3 4.3Å; L2166-W2212 HydrophobicContact CB-CG 4.08Å; L2166-W2212 HydrophobicContact CD2-CD2 3.69Å; L2166-W2212 VanDerWaalsContact CD2-CE2 3.49Å; L2166-W2212 HydrophobicContact CD2-CE3 4.22Å; L2166-W2212 HydrophobicContact CD2-CG 4Å; L2166-W2212 HydrophobicContact CD2-CH2 4.4Å; L2166-W2212 HydrophobicContact CD2-CZ2 3.89Å; L2166-W2212 WeakPolarHBondContact O-CB 3.38Å
2167H72.6Confident78.4Confident53 Ų5318 Ų1825%0.2459%0.093CC..  trans-111.7139.6174.1178.5-82.8000108.1V2140 A2165 N2169 I2170 E2211V2140-H2167 HydrophobicContact CB-CB 4.49Å; V2140-H2167 HydrophobicContact CG1-CB 3.76Å; V2140-H2167 HydrophobicContact CG2-CB 3.81Å; A2165-H2167 PolarHBondContact O-N 3.47Å; H2167-N2169 PolarHBondContact CE1-ND2 2.84Å; H2167-N2169 VanDerWaalsContact CE1-ND2 3.25Å; H2167-N2169 WeakPolarHBondContact ND1-CB 3.45Å; H2167-N2169 PolarHBondContact ND1-N 2.98Å; H2167-N2169 PolarHBondContact ND1-ND2 3.24Å; H2167-N2169 PolarHBondContact O-N 2.61Å; H2167-I2170 PolarHBondContact O-N 3.22Å; H2167-E2211 IonicContact CD2-OE2 3.13Å; H2167-E2211 PolarHBondContact CD2-OE2 3.08Å
2168P81Confident78.8Confident19 Ų1916.3 Ų16.312%0.1239%0.086CC..THydrogen-bonded Turntrans-45.9-36.7-175-35.639.6000115.5I2170 A2171 E2172 W2215P2168-I2170 PolarHBondContact O-N 2.68Å; P2168-A2171 PolarHBondContact O-N 2.65Å; P2168-E2172 VanDerWaalsContact O-CG 3.29Å; P2168-E2172 WeakPolarHBondContact O-CG 3.22Å; P2168-E2172 PolarHBondContact O-N 2.78Å; P2168-W2215 HydrophobicContact CB-CB 4.13Å; P2168-W2215 HydrophobicContact CB-CD2 3.98Å; P2168-W2215 HydrophobicContact CB-CG 3.63Å; P2168-W2215 HydrophobicContact CG-CB 3.48Å; P2168-W2215 VanDerWaalsContact CG-CB 3.48Å; P2168-W2215 HydrophobicContact CG-CD2 4.27Å; P2168-W2215 HydrophobicContact CG-CG 3.58Å
2169N83Confident79.2Confident55 Ų5520.4 Ų20.429%0.29411%0.112SC..Hα-helixtrans-49.7-28.9176.3-70-9.1000115.1M2147 H2167 A2173M2147-N2169 HydrophobicContact CE-CB 3.91Å; M2147-N2169 HydrophobicContact SD-CB 4.49Å; H2167-N2169 PolarHBondContact CE1-ND2 2.84Å; H2167-N2169 VanDerWaalsContact CE1-ND2 3.25Å; H2167-N2169 WeakPolarHBondContact ND1-CB 3.45Å; H2167-N2169 PolarHBondContact ND1-N 2.98Å; H2167-N2169 PolarHBondContact ND1-ND2 3.24Å; H2167-N2169 PolarHBondContact O-N 2.61Å; N2169-A2173 WeakPolarHBondContact O-CB 3.39Å; N2169-A2173 PolarHBondContact O-N 3.2Å
2170I85.5Confident79.3Confident5 Ų525.9 Ų25.93%0.02614%0.135CC..Hα-helixtrans-68.9-50.6174.9-63.1-168.6000110.7V2135 L2139 V2140 M2147 F2151 L2161 A2165 H2167 P2168 E2172 A2173 L2174V2135-I2170 HydrophobicContact CG1-CD1 4.23Å; V2135-I2170 HydrophobicContact CG1-CG2 4.07Å; L2139-I2170 HydrophobicContact CB-CD1 4.45Å; V2140-I2170 HydrophobicContact CG2-CD1 3.8Å; V2140-I2170 HydrophobicContact CG2-CG1 3.86Å; M2147-I2170 HydrophobicContact SD-CG1 4.32Å; F2151-I2170 HydrophobicContact CE2-CG2 4.06Å; F2151-I2170 HydrophobicContact CZ-CG2 3.9Å; L2161-I2170 HydrophobicContact CD2-CG2 4.13Å; A2165-I2170 WeakPolarHBondContact O-CD1 3.33Å; H2167-I2170 PolarHBondContact O-N 3.22Å; P2168-I2170 PolarHBondContact O-N 2.68Å; I2170-E2172 VanDerWaalsContact C-N 3.34Å; I2170-E2172 PolarHBondContact O-N 2.9Å; I2170-A2173 PolarHBondContact O-N 2.88Å; I2170-L2174 WeakPolarHBondContact O-CB 3.36Å; I2170-L2174 PolarHBondContact O-N 3.03Å
2171A85.8Confident79.8Confident1 Ų126.7 Ų26.71%0.00814%0.138CC..Hα-helixtrans-64.2-40.1177.600000111.6P2168 A2173 L2174 I2175 W2212 W2215 L2232P2168-A2171 PolarHBondContact O-N 2.65Å; A2171-A2173 VanDerWaalsContact C-N 3.34Å; A2171-A2173 PolarHBondContact O-N 3.07Å; A2171-L2174 PolarHBondContact O-N 3.01Å; A2171-I2175 WeakPolarHBondContact O-CB 3.43Å; A2171-I2175 VanDerWaalsContact O-CG1 3.31Å; A2171-I2175 WeakPolarHBondContact O-CG1 3.31Å; A2171-I2175 PolarHBondContact O-N 3.19Å; A2171-W2212 HydrophobicContact CB-CH2 3.88Å; A2171-W2212 HydrophobicContact CB-CZ3 3.76Å; A2171-W2215 HydrophobicContact CB-CH2 3.37Å; A2171-W2215 HydrophobicContact CB-CZ2 4.12Å; A2171-W2215 HydrophobicContact CB-CZ3 3.6Å; A2171-L2232 HydrophobicContact CB-CD2 4.3Å
2172E88Confident80.2Confident5 Ų530.8 Ų30.82%0.02316%0.16CC..Hα-helixtrans-58.2-43.5172-64.8-71.7172.100112P2168 I2170 T2176 W2215 R2222 R2231P2168-E2172 VanDerWaalsContact O-CG 3.29Å; P2168-E2172 WeakPolarHBondContact O-CG 3.22Å; P2168-E2172 PolarHBondContact O-N 2.78Å; I2170-E2172 VanDerWaalsContact C-N 3.34Å; I2170-E2172 PolarHBondContact O-N 2.9Å; E2172-T2176 WeakPolarHBondContact O-CB 3.42Å; E2172-T2176 PolarHBondContact O-N 2.93Å; E2172-T2176 PolarHBondContact O-OG1 2.81Å; E2172-W2215 HydrophobicContact CG-CZ2 4.45Å; E2172-W2215 PolarHBondContact OE1-NE1 3.06Å; E2172-W2215 VanDerWaalsContact OE1-NE1 3.14Å; E2172-R2222 VanDerWaalsContact CD-CZ 3.41Å; E2172-R2222 IonicContact OE1-CZ 3.56Å; E2172-R2222 VanDerWaalsContact OE1-CZ 3.28Å; E2172-R2222 IonicContact OE1-NE 2.75Å; E2172-R2222 IonicContact OE1-NH1 2.65Å; E2172-R2222 PolarHBondContact OE1-NH1 2.96Å; E2172-R2222 IonicContact OE1-NH2 3.25Å; E2172-R2222 PolarHBondContact OE1-NH2 3.05Å; E2172-R2222 IonicContact OE2-CZ 2.68Å; E2172-R2222 IonicContact OE2-NH1 2.99Å; E2172-R2222 PolarHBondContact OE2-NH1 2.99Å; E2172-R2222 IonicContact OE2-NH2 3.76Å; E2172-R2222 PolarHBondContact OE2-NH2 3.24Å; E2172-R2231 VanDerWaalsContact CD-NH2 3.32Å; E2172-R2231 IonicContact OE1-CZ 2.78Å; E2172-R2231 IonicContact OE1-NH1 3.95Å; E2172-R2231 PolarHBondContact OE1-NH1 2.85Å; E2172-R2231 IonicContact OE1-NH2 3.66Å; E2172-R2231 PolarHBondContact OE1-NH2 2.9Å; E2172-R2231 VanDerWaalsContact OE1-NH2 3.16Å; E2172-R2231 IonicContact OE2-CZ 2.74Å; E2172-R2231 IonicContact OE2-NH1 2.72Å; E2172-R2231 IonicContact OE2-NH2 3.19Å; E2172-R2231 PolarHBondContact OE2-NH2 2.84Å
2173A88.8Confident81Confident0 Ų036.1 Ų36.10%019%0.194CC..Hα-helixtrans-69.9-37177.100000112.6Q2144 M2147 V2148 F2151 N2169 I2170 A2171 T2176 A2177Q2144-A2173 HydrophobicContact CG-CB 4.37Å; M2147-A2173 HydrophobicContact CB-CB 3.48Å; M2147-A2173 VanDerWaalsContact CB-CB 3.48Å; M2147-A2173 HydrophobicContact CG-CB 4.49Å; M2147-A2173 HydrophobicContact SD-CB 4.24Å; V2148-A2173 HydrophobicContact CG2-CB 3.86Å; F2151-A2173 HydrophobicContact CD2-CB 4.15Å; F2151-A2173 HydrophobicContact CE2-CB 4.28Å; N2169-A2173 WeakPolarHBondContact O-CB 3.39Å; N2169-A2173 PolarHBondContact O-N 3.2Å; I2170-A2173 PolarHBondContact O-N 2.88Å; A2171-A2173 VanDerWaalsContact C-N 3.34Å; A2171-A2173 PolarHBondContact O-N 3.07Å; A2173-T2176 PolarHBondContact O-N 2.96Å; A2173-A2177 VanDerWaalsContact O-CB 3.25Å; A2173-A2177 WeakPolarHBondContact O-CB 3.34Å; A2173-A2177 PolarHBondContact O-N 2.7Å
2174L90.6Very high82.2Confident1 Ų141.3 Ų41.31%0.00522%0.222CC..Hα-helixtrans-67.2-45.3176.6178.257.9000111.5F2151 Y2159 I2170 A2171 A2177 K2178 I2203 F2237F2151-L2174 HydrophobicContact CB-CD1 4.26Å; F2151-L2174 HydrophobicContact CD1-CD1 3.89Å; F2151-L2174 HydrophobicContact CD2-CB 4Å; F2151-L2174 HydrophobicContact CD2-CD1 4.41Å; F2151-L2174 HydrophobicContact CE1-CD1 4.27Å; F2151-L2174 HydrophobicContact CE2-CB 4.01Å; F2151-L2174 HydrophobicContact CG-CB 4.41Å; F2151-L2174 HydrophobicContact CG-CD1 3.96Å; F2151-L2174 HydrophobicContact CZ-CB 4.41Å; Y2159-L2174 HydrophobicContact CD1-CD1 4.33Å; Y2159-L2174 HydrophobicContact CD1-CD2 4.29Å; Y2159-L2174 HydrophobicContact CD2-CD2 4.47Å; Y2159-L2174 HydrophobicContact CE1-CD1 3.75Å; Y2159-L2174 HydrophobicContact CE2-CD1 4.2Å; Y2159-L2174 HydrophobicContact CG-CD2 4.27Å; I2170-L2174 WeakPolarHBondContact O-CB 3.36Å; I2170-L2174 PolarHBondContact O-N 3.03Å; A2171-L2174 PolarHBondContact O-N 3.01Å; L2174-A2177 PolarHBondContact O-N 3.42Å; L2174-K2178 PolarHBondContact O-N 3.34Å; L2174-I2203 HydrophobicContact CD2-CD1 3.85Å; L2174-I2203 HydrophobicContact CD2-CG1 4.4Å; L2174-F2237 HydrophobicContact CD1-CE1 4.14Å; L2174-F2237 HydrophobicContact CD1-CZ 3.98Å; L2174-F2237 HydrophobicContact CD2-CD1 4.43Å; L2174-F2237 HydrophobicContact CD2-CE1 3.81Å; L2174-F2237 HydrophobicContact CD2-CZ 4Å; L2174-F2237 HydrophobicContact CG-CE1 3.87Å; L2174-F2237 HydrophobicContact CG-CE2 4.38Å; L2174-F2237 HydrophobicContact CG-CZ 3.58Å
2175I90.7Very high84Confident14 Ų1438 Ų387%0.07221%0.207CC..Hα-helixtrans-58-51.6170.8-70.9162.6000110.1A2171 A2177 K2178 T2179 W2215 R2231 L2232 N2235 F2237A2171-I2175 WeakPolarHBondContact O-CB 3.43Å; A2171-I2175 VanDerWaalsContact O-CG1 3.31Å; A2171-I2175 WeakPolarHBondContact O-CG1 3.31Å; A2171-I2175 PolarHBondContact O-N 3.19Å; I2175-A2177 PolarHBondContact O-N 3.35Å; I2175-K2178 PolarHBondContact O-N 3.31Å; I2175-K2178 VanDerWaalsContact O-N 3.1Å; I2175-T2179 PolarHBondContact O-N 2.66Å; I2175-T2179 VanDerWaalsContact O-N 3.15Å; I2175-W2215 HydrophobicContact CD1-CH2 4.43Å; I2175-R2231 HydrophobicContact CD1-CB 4.43Å; I2175-L2232 HydrophobicContact CD1-CD2 4.09Å; I2175-L2232 HydrophobicContact CG1-CD2 4.29Å; I2175-N2235 HydrophobicContact CG1-CB 4.38Å; I2175-F2237 HydrophobicContact CG1-CE2 4.29Å
2176T90.8Very high85.4Confident51 Ų5139.2 Ų39.231%0.31321%0.213SC..Hα-helixtrans-64-23.8-179.6-57.20000113.4V2148 E2172 A2173 T2179V2148-T2176 HydrophobicContact CG1-CG2 4.24Å; V2148-T2176 HydrophobicContact CG2-CG2 3.79Å; E2172-T2176 WeakPolarHBondContact O-CB 3.42Å; E2172-T2176 PolarHBondContact O-N 2.93Å; E2172-T2176 PolarHBondContact O-OG1 2.81Å; A2173-T2176 PolarHBondContact O-N 2.96Å; T2176-T2179 PolarHBondContact O-OG1 3.45Å; T2176-T2179 VanDerWaalsContact O-OG1 3.08Å
2177A91.2Very high85.9Confident0 Ų042.3 Ų42.30%023%0.234CC..Hα-helixtrans-81.5-40.4172.200000111.9V2148 F2151 I2152 A2173 L2174 I2175 T2179 K2180 W2181V2148-A2177 HydrophobicContact CG1-CB 4.4Å; F2151-A2177 HydrophobicContact CB-CB 3.32Å; I2152-A2177 HydrophobicContact CG1-CB 4.15Å; A2173-A2177 VanDerWaalsContact O-CB 3.25Å; A2173-A2177 WeakPolarHBondContact O-CB 3.34Å; A2173-A2177 PolarHBondContact O-N 2.7Å; L2174-A2177 PolarHBondContact O-N 3.42Å; I2175-A2177 PolarHBondContact O-N 3.35Å; A2177-T2179 VanDerWaalsContact C-N 3.26Å; A2177-T2179 PolarHBondContact O-N 2.95Å; A2177-K2180 CarbonylContact O-C 3.11Å; A2177-K2180 WeakPolarHBondContact O-CA 3.48Å; A2177-K2180 WeakPolarHBondContact O-CB 3.32Å; A2177-K2180 PolarHBondContact O-N 2.87Å; A2177-W2181 PolarHBondContact O-N 2.71Å; A2177-W2181 PolarHBondContact O-NE1 3.3Å
2178K91.3Very high86.2Confident24 Ų2444.7 Ų44.710%0.10424%0.241CC..Hα-helixtrans-61.7-31.7177.3-169.7165.9-177.1176.80112.6L2174 I2175 K2180 W2181 N2235 H2236 F2237L2174-K2178 PolarHBondContact O-N 3.34Å; I2175-K2178 PolarHBondContact O-N 3.31Å; I2175-K2178 VanDerWaalsContact O-N 3.1Å; K2178-K2180 PolarHBondContact O-N 2.92Å; K2178-W2181 HydrophobicContact CB-CD2 4.38Å; K2178-W2181 HydrophobicContact CG-CD2 4.19Å; K2178-W2181 HydrophobicContact CG-CE3 4.07Å; K2178-W2181 HydrophobicContact CG-CZ3 4.42Å; K2178-W2181 WeakPolarHBondContact O-CB 3.25Å; K2178-W2181 PolarHBondContact O-N 2.83Å; K2178-W2181 VanDerWaalsContact O-N 3.11Å; K2178-N2235 WeakPolarHBondContact CD-O 3.25Å; K2178-N2235 VanDerWaalsContact CE-O 3.24Å; K2178-N2235 WeakPolarHBondContact CE-O 3.43Å; K2178-N2235 PolarHBondContact NZ-O 3.08Å; K2178-H2236 PolarHBondContact NZ-O 2.83Å; K2178-F2237 HydrophobicContact CB-CE2 4.42Å; K2178-F2237 HydrophobicContact CB-CZ 4.19Å; K2178-F2237 HydrophobicContact CD-CD2 4.41Å; K2178-F2237 HydrophobicContact CD-CE1 4.16Å; K2178-F2237 HydrophobicContact CD-CE2 3.51Å; K2178-F2237 HydrophobicContact CD-CZ 3.35Å; K2178-F2237 HydrophobicContact CG-CZ 4.39Å
2179T90.1Very high86.1Confident100 Ų10044.5 Ų44.561%0.61324%0.239SC*.THydrogen-bonded Turntrans-67-2.6170.567.30000114.4I2175 T2176 A2177I2175-T2179 PolarHBondContact O-N 2.66Å; I2175-T2179 VanDerWaalsContact O-N 3.15Å; T2176-T2179 PolarHBondContact O-OG1 3.45Å; T2176-T2179 VanDerWaalsContact O-OG1 3.08Å; A2177-T2179 VanDerWaalsContact C-N 3.26Å; A2177-T2179 PolarHBondContact O-N 2.95Å
2180K89.9Confident85.5Confident115 Ų11542.2 Ų42.250%0.523%0.227SC..THydrogen-bonded Turntrans-11910.3175.8-59.4170.8176.8-179.40112.4V2148 I2152 A2177 K2178V2148-K2180 HydrophobicContact CG1-CD 4.39Å; I2152-K2180 HydrophobicContact CD1-CB 4.42Å; I2152-K2180 HydrophobicContact CD1-CD 3.47Å; I2152-K2180 VanDerWaalsContact CD1-CD 3.47Å; I2152-K2180 HydrophobicContact CG1-CB 4.24Å; I2152-K2180 HydrophobicContact CG1-CD 4.04Å; A2177-K2180 CarbonylContact O-C 3.11Å; A2177-K2180 WeakPolarHBondContact O-CA 3.48Å; A2177-K2180 WeakPolarHBondContact O-CB 3.32Å; A2177-K2180 PolarHBondContact O-N 2.87Å; K2178-K2180 PolarHBondContact O-N 2.92Å
2181W90.1Very high84.3Confident25 Ų2548.8 Ų48.810%0.09525%0.252CS..SBendtrans-82.7153.6170.1-66.510000109.7F2151 R2155 Y2159 A2177 K2178 D2185 V2186 L2189 I2201F2151-W2181 PolarHBondContact O-NE1 3.4Å; R2155-W2181 HydrophobicContact CB-CH2 4Å; R2155-W2181 HydrophobicContact CB-CZ2 3.98Å; R2155-W2181 HydrophobicContact CB-CZ3 4.46Å; R2155-W2181 HydrophobicContact CG-CD2 4.34Å; R2155-W2181 HydrophobicContact CG-CH2 4.22Å; R2155-W2181 HydrophobicContact CG-CZ2 3.74Å; Y2159-W2181 WeakPolarHBondContact OH-CH2 3.37Å; Y2159-W2181 WeakPolarHBondContact OH-CZ2 3.39Å; A2177-W2181 PolarHBondContact O-N 2.71Å; A2177-W2181 PolarHBondContact O-NE1 3.3Å; K2178-W2181 HydrophobicContact CB-CD2 4.38Å; K2178-W2181 HydrophobicContact CG-CD2 4.19Å; K2178-W2181 HydrophobicContact CG-CE3 4.07Å; K2178-W2181 HydrophobicContact CG-CZ3 4.42Å; K2178-W2181 WeakPolarHBondContact O-CB 3.25Å; K2178-W2181 PolarHBondContact O-N 2.83Å; K2178-W2181 VanDerWaalsContact O-N 3.11Å; W2181-D2185 WeakPolarHBondContact CA-OD2 3.2Å; W2181-D2185 HydrophobicContact CB-CB 4.21Å; W2181-D2185 VanDerWaalsContact CB-OD2 3.27Å; W2181-D2185 WeakPolarHBondContact CB-OD2 3.43Å; W2181-D2185 HydrophobicContact CE3-CB 4.18Å; W2181-V2186 HydrophobicContact CE3-CG2 4.21Å; W2181-V2186 HydrophobicContact CZ3-CG2 4.43Å; W2181-L2189 HydrophobicContact CH2-CD1 4.17Å; W2181-L2189 HydrophobicContact CZ3-CD1 3.71Å; W2181-I2201 HydrophobicContact CE3-CD1 4.5Å; W2181-I2201 HydrophobicContact CH2-CD1 3.87Å; W2181-I2201 HydrophobicContact CZ3-CD1 3.4Å; W2181-I2201 VanDerWaalsContact CZ3-CD1 3.4Å
2182N86.3Confident82.6Confident89 Ų8953.5 Ų53.548%0.47628%0.283SS..  trans-69.6151.8167.6-42.6-64000109.6D2184 D2185N2182-D2184 PolarHBondContact O-N 2.86Å; N2182-D2185 WeakPolarHBondContact CA-OD2 3.46Å; N2182-D2185 PolarHBondContact N-OD2 3.29Å; N2182-D2185 PolarHBondContact ND2-OD1 2.86Å; N2182-D2185 PolarHBondContact ND2-OD2 3.41Å; N2182-D2185 VanDerWaalsContact O-CB 3.31Å; N2182-D2185 WeakPolarHBondContact O-CB 3.23Å; N2182-D2185 VanDerWaalsContact O-CG 3.25Å; N2182-D2185 PolarHBondContact O-N 2.84Å; N2182-D2185 VanDerWaalsContact O-N 3.08Å
2183P82.2Confident81Confident116 Ų11655.8 Ų55.875%0.75330%0.296SS*.THydrogen-bonded Turntrans-56.3-33.2175.1-26.635.9000113.9D2185 P2187P2183-D2185 PolarHBondContact O-N 2.87Å; P2183-P2187 WeakPolarHBondContact O-CD 3.37Å
2184D82.6Confident78.7Confident110 Ų11059.8 Ų59.859%0.58833%0.329SS*.THydrogen-bonded Turntrans-69.7-16.6179.8-61.6-62000114.2N2182 P2187 Y2188N2182-D2184 PolarHBondContact O-N 2.86Å; D2184-P2187 WeakPolarHBondContact O-CD 3.24Å; D2184-Y2188 VanDerWaalsContact O-CB 3.27Å; D2184-Y2188 WeakPolarHBondContact O-CB 3.22Å; D2184-Y2188 PolarHBondContact O-N 3.14Å
2185D84.4Confident76.4Confident3 Ų367.6 Ų67.62%0.01637%0.37CS..Hα-helixtrans-71-37.4-170.5-60.4-25.6000112.3Y2129 R2155 W2181 N2182 P2183 Y2188 L2189Y2129-D2185 HydrophobicContact CE1-CB 4.27Å; Y2129-D2185 PolarHBondContact OH-OD1 3.22Å; R2155-D2185 IonicContact CZ-OD1 2.74Å; R2155-D2185 IonicContact CZ-OD2 3.89Å; R2155-D2185 IonicContact NE-OD2 2.98Å; R2155-D2185 IonicContact NH1-OD1 3.8Å; R2155-D2185 PolarHBondContact NH1-OD1 2.95Å; R2155-D2185 IonicContact NH1-OD2 3.09Å; R2155-D2185 PolarHBondContact NH1-OD2 2.85Å; R2155-D2185 IonicContact NH2-OD2 3.76Å; R2155-D2185 PolarHBondContact NH2-OD2 3.15Å; W2181-D2185 WeakPolarHBondContact CA-OD2 3.2Å; W2181-D2185 HydrophobicContact CB-CB 4.21Å; W2181-D2185 VanDerWaalsContact CB-OD2 3.27Å; W2181-D2185 WeakPolarHBondContact CB-OD2 3.43Å; W2181-D2185 HydrophobicContact CE3-CB 4.18Å; N2182-D2185 WeakPolarHBondContact CA-OD2 3.46Å; N2182-D2185 PolarHBondContact N-OD2 3.29Å; N2182-D2185 PolarHBondContact ND2-OD1 2.86Å; N2182-D2185 PolarHBondContact ND2-OD2 3.41Å; N2182-D2185 VanDerWaalsContact O-CB 3.31Å; N2182-D2185 WeakPolarHBondContact O-CB 3.23Å; N2182-D2185 VanDerWaalsContact O-CG 3.25Å; N2182-D2185 PolarHBondContact O-N 2.84Å; N2182-D2185 VanDerWaalsContact O-N 3.08Å; P2183-D2185 PolarHBondContact O-N 2.87Å; D2185-Y2188 PolarHBondContact O-N 3.26Å; D2185-L2189 WeakPolarHBondContact O-CG 3.39Å; D2185-L2189 PolarHBondContact O-N 2.89Å
2186V82Confident74.5Confident34 Ų3469.4 Ų69.421%0.20639%0.385CS..Hα-helixtrans-71.5-48.5177.3-175.10000110.7W2181 Y2188 L2189 C2190 I2201W2181-V2186 HydrophobicContact CE3-CG2 4.21Å; W2181-V2186 HydrophobicContact CZ3-CG2 4.43Å; V2186-Y2188 PolarHBondContact O-N 3.1Å; V2186-L2189 PolarHBondContact O-N 3.27Å; V2186-C2190 WeakPolarHBondContact O-CB 3.24Å; V2186-C2190 PolarHBondContact O-N 3.21Å; V2186-C2190 PolarHBondContact O-SG 2.86Å; V2186-C2190 VanDerWaalsContact O-SG 3.32Å; V2186-I2201 HydrophobicContact CG1-CD1 4.28Å; V2186-I2201 HydrophobicContact CG1-CG1 4.32Å; V2186-I2201 HydrophobicContact CG2-CD1 4.22Å
2187P78Confident72.3Confident69 Ų6973 Ų7345%0.44841%0.409SS..Hα-helixtrans-58.2-25.4168-25.635000114.8P2183 D2184 R2191P2183-P2187 WeakPolarHBondContact O-CD 3.37Å; D2184-P2187 WeakPolarHBondContact O-CD 3.24Å; P2187-R2191 WeakPolarHBondContact O-CB 3.4Å; P2187-R2191 VanDerWaalsContact O-CG 3.25Å; P2187-R2191 WeakPolarHBondContact O-CG 3.39Å; P2187-R2191 PolarHBondContact O-N 2.89Å; P2187-R2191 PolarHBondContact O-NE 2.89Å; P2187-R2191 VanDerWaalsContact O-NE 3.16Å
2188Y78.9Confident70.7Confident103 Ų10378.5 Ų78.540%0.40444%0.438SS..Hα-helixtrans-73.7-42.2174.9-171-90.2000112Y2129 D2184 D2185 V2186Y2129-Y2188 AromaticContact CD1-CD1 3.5Å; Y2129-Y2188 HydrophobicContact CD1-CD1 3.5Å; Y2129-Y2188 VanDerWaalsContact CD1-CD1 3.5Å; Y2129-Y2188 AromaticContact CD1-CE1 3.95Å; Y2129-Y2188 HydrophobicContact CD1-CE1 3.95Å; Y2129-Y2188 HydrophobicContact CD1-CG 4.48Å; Y2129-Y2188 AromaticContact CD2-CD1 3.99Å; Y2129-Y2188 HydrophobicContact CD2-CD1 3.99Å; Y2129-Y2188 AromaticContact CD2-CE1 3.62Å; Y2129-Y2188 HydrophobicContact CD2-CE1 3.62Å; Y2129-Y2188 AromaticContact CE1-CD1 3.78Å; Y2129-Y2188 HydrophobicContact CE1-CD1 3.78Å; Y2129-Y2188 HydrophobicContact CE1-CE1 4.4Å; Y2129-Y2188 HydrophobicContact CE1-CG 4.38Å; Y2129-Y2188 HydrophobicContact CE2-CD1 4.24Å; Y2129-Y2188 HydrophobicContact CE2-CE1 4.12Å; Y2129-Y2188 AromaticContact CG-CD1 3.6Å; Y2129-Y2188 HydrophobicContact CG-CD1 3.6Å; Y2129-Y2188 AromaticContact CG-CE1 3.52Å; Y2129-Y2188 HydrophobicContact CG-CE1 3.52Å; D2184-Y2188 VanDerWaalsContact O-CB 3.27Å; D2184-Y2188 WeakPolarHBondContact O-CB 3.22Å; D2184-Y2188 PolarHBondContact O-N 3.14Å; D2185-Y2188 PolarHBondContact O-N 3.26Å; V2186-Y2188 PolarHBondContact O-N 3.1Å
2189L77.4Confident69.2Low14 Ų1479.5 Ų79.57%0.07345%0.451CS..Hα-helixtrans-69.5-32.9175-67.9167.1000113Y2129 R2155 W2181 D2185 V2186 I2201Y2129-L2189 HydrophobicContact CD1-CD2 3.93Å; Y2129-L2189 HydrophobicContact CD1-CG 4.19Å; R2155-L2189 HydrophobicContact CB-CD1 4.19Å; W2181-L2189 HydrophobicContact CH2-CD1 4.17Å; W2181-L2189 HydrophobicContact CZ3-CD1 3.71Å; D2185-L2189 WeakPolarHBondContact O-CG 3.39Å; D2185-L2189 PolarHBondContact O-N 2.89Å; V2186-L2189 PolarHBondContact O-N 3.27Å; L2189-I2201 HydrophobicContact CD1-CD1 3.89Å
2190C71.7Confident68.4Low7 Ų775.9 Ų75.95%0.04743%0.43CS..THydrogen-bonded Turntrans-91.27.4-178.5-57.10000114V2186 C2192 D2193 A2199V2186-C2190 WeakPolarHBondContact O-CB 3.24Å; V2186-C2190 PolarHBondContact O-N 3.21Å; V2186-C2190 PolarHBondContact O-SG 2.86Å; V2186-C2190 VanDerWaalsContact O-SG 3.32Å; C2190-C2192 VanDerWaalsContact C-N 3.25Å; C2190-C2192 PolarHBondContact O-N 3.38Å; C2190-C2192 VanDerWaalsContact O-N 3.15Å; C2190-D2193 PolarHBondContact O-N 2.84Å; C2190-A2199 HydrophobicContact CB-CB 3.91Å; C2190-A2199 VanDerWaalsContact SG-C 3.54Å; C2190-A2199 PolarHBondContact SG-O 2.68Å
2191R60.4Low68.2Low144 Ų14470.4 Ų70.454%0.54341%0.406SS..THydrogen-bonded Turntrans-66.9-18.2-167.5-123.2165.8-117.1-144.83.8115.5P2187P2187-R2191 WeakPolarHBondContact O-CB 3.4Å; P2187-R2191 VanDerWaalsContact O-CG 3.25Å; P2187-R2191 WeakPolarHBondContact O-CG 3.39Å; P2187-R2191 PolarHBondContact O-N 2.89Å; P2187-R2191 PolarHBondContact O-NE 2.89Å; P2187-R2191 VanDerWaalsContact O-NE 3.16Å
2192C49.2Very low68Low99 Ų9970.5 Ų70.567%0.66941%0.409SS*.THydrogen-bonded Turntrans-76.4-25.3171.8-60.50000112.5C2190 A2194C2190-C2192 VanDerWaalsContact C-N 3.25Å; C2190-C2192 PolarHBondContact O-N 3.38Å; C2190-C2192 VanDerWaalsContact O-N 3.15Å; C2192-A2194 VanDerWaalsContact C-N 3.32Å; C2192-A2194 PolarHBondContact O-N 2.81Å
2193D54Low67.9Low54 Ų5466.2 Ų66.229%0.28939%0.386SS..  trans-100.131.4-173.6-51.8-10000110.7K2157 C2190 N2195 S2196K2157-D2193 WeakPolarHBondContact CE-OD2 3.27Å; K2157-D2193 IonicContact NZ-OD1 2.61Å; K2157-D2193 PolarHBondContact NZ-OD1 2.69Å; K2157-D2193 IonicContact NZ-OD2 2.64Å; K2157-D2193 PolarHBondContact NZ-OD2 2.74Å; C2190-D2193 PolarHBondContact O-N 2.84Å; D2193-N2195 PolarHBondContact O-N 3.17Å; D2193-S2196 WeakPolarHBondContact O-CB 3.47Å; D2193-S2196 PolarHBondContact O-N 3.47Å
2194A40.7Very low67.7Low83 Ų8360.8 Ų60.869%0.68635%0.351SS*.THydrogen-bonded Turntrans-62.6-9.5-165.700000115.8C2192C2192-A2194 VanDerWaalsContact C-N 3.32Å; C2192-A2194 PolarHBondContact O-N 2.81Å
2195N42.1Very low67.3Low165 Ų16555.5 Ų55.588%0.88232%0.323SS*.THydrogen-bonded Turntrans-101.9-3.5174.4-64.3-19.2000113.3D2193D2193-N2195 PolarHBondContact O-N 3.17Å
2196S50.5Low66.2Low53 Ų5355.6 Ų55.637%0.37132%0.323SS..  trans-89.6128.5178.6-175.80000111D2193 D2198D2193-S2196 WeakPolarHBondContact O-CB 3.47Å; D2193-S2196 PolarHBondContact O-N 3.47Å; S2196-D2198 PolarHBondContact O-N 3Å; S2196-D2198 PolarHBondContact OG-N 3.3Å
2197P46.1Very low65.2Low126 Ų12655.8 Ų55.882%0.81832%0.323SS*.THydrogen-bonded Turntrans-66.6-24.2168.929.3-33.9000111.9A2199P2197-A2199 PolarHBondContact O-N 3.18Å; P2197-A2199 VanDerWaalsContact O-N 3.16Å
2198D56.3Low64.6Low115 Ų11555.6 Ų55.662%0.61532%0.316SS*.THydrogen-bonded Turntrans-89.642.1-177.6-64.7-42.5000112.7S2196 S2200S2196-D2198 PolarHBondContact O-N 3Å; S2196-D2198 PolarHBondContact OG-N 3.3Å; D2198-S2200 WeakPolarHBondContact O-CB 3.48Å; D2198-S2200 PolarHBondContact O-N 2.63Å; D2198-S2200 PolarHBondContact O-OG 3.35Å
2199A60.8Low63.9Low45 Ų4552.2 Ų52.237%0.37231%0.307SS..  trans-63.675.1177.900000112C2190 P2197C2190-A2199 HydrophobicContact CB-CB 3.91Å; C2190-A2199 VanDerWaalsContact SG-C 3.54Å; C2190-A2199 PolarHBondContact SG-O 2.68Å; P2197-A2199 PolarHBondContact O-N 3.18Å; P2197-A2199 VanDerWaalsContact O-N 3.16Å
2200S73.4Confident63.2Low24 Ų2458.8 Ų58.817%0.16834%0.335CS..  trans-127145.6-161.757.50000112.1D2198D2198-S2200 WeakPolarHBondContact O-CB 3.48Å; D2198-S2200 PolarHBondContact O-N 2.63Å; D2198-S2200 PolarHBondContact O-OG 3.35Å
2201I85Confident63Low0 Ų064.1 Ų64.10%036%0.359CS..EExtended strand (participates in β ladder)trans-84.2122.5-179-61.4-175.6000108.6A2156 Y2159 W2181 V2186 L2189 H2236 F2237 R2238A2156-I2201 WeakPolarHBondContact O-CG2 3.34Å; Y2159-I2201 HydrophobicContact CD2-CG2 3.69Å; Y2159-I2201 HydrophobicContact CE2-CG2 3.58Å; W2181-I2201 HydrophobicContact CE3-CD1 4.5Å; W2181-I2201 HydrophobicContact CH2-CD1 3.87Å; W2181-I2201 HydrophobicContact CZ3-CD1 3.4Å; W2181-I2201 VanDerWaalsContact CZ3-CD1 3.4Å; V2186-I2201 HydrophobicContact CG1-CD1 4.28Å; V2186-I2201 HydrophobicContact CG1-CG1 4.32Å; V2186-I2201 HydrophobicContact CG2-CD1 4.22Å; L2189-I2201 HydrophobicContact CD1-CD1 3.89Å; I2201-H2236 PolarHBondContact N-O 3.37Å; I2201-F2237 HydrophobicContact CB-CD1 3.75Å; I2201-F2237 HydrophobicContact CB-CE1 4.02Å; I2201-F2237 HydrophobicContact CG2-CD1 3.68Å; I2201-F2237 HydrophobicContact CG2-CE1 3.7Å; I2201-F2237 CarbonylContact O-C 3.42Å; I2201-F2237 VanDerWaalsContact O-CA 3.22Å; I2201-F2237 WeakPolarHBondContact O-CA 3.49Å; I2201-R2238 PolarHBondContact O-N 2.94Å
2202T85.3Confident63.7Low27 Ų2757.3 Ų57.317%0.16633%0.334CS..EExtended strand (participates in β ladder)trans-89.4138.6-171.3-57.70000111.1K2157 L2158 Y2159 R2238 L2240K2157-T2202 PolarHBondContact O-N 2.81Å; L2158-T2202 CarbonylContact C-O 3.49Å; L2158-T2202 WeakPolarHBondContact CA-O 3.5Å; L2158-T2202 HydrophobicContact CD1-CG2 3.59Å; Y2159-T2202 PolarHBondContact N-O 3.43Å; T2202-R2238 CarbonylContact C-O 3.39Å; T2202-R2238 VanDerWaalsContact CA-O 3.32Å; T2202-R2238 WeakPolarHBondContact CA-O 3.49Å; T2202-L2240 HydrophobicContact CG2-CD1 3.49Å; T2202-L2240 VanDerWaalsContact CG2-CD1 3.49Å; T2202-L2240 HydrophobicContact CG2-CG 3.67Å
2203I85.7Confident64.9Low0 Ų055 Ų550%031%0.314CS..EExtended strand (participates in β ladder)trans-119.6124.8172.7-59.5178.1000107.5Y2159 L2161 L2174 L2232 F2237 R2238 L2239 L2240Y2159-I2203 WeakPolarHBondContact O-CA 3.17Å; L2161-I2203 HydrophobicContact CD1-CG2 3.56Å; L2161-I2203 HydrophobicContact CG-CG2 3.88Å; L2174-I2203 HydrophobicContact CD2-CD1 3.85Å; L2174-I2203 HydrophobicContact CD2-CG1 4.4Å; I2203-L2232 HydrophobicContact CD1-CD1 4.27Å; I2203-L2232 HydrophobicContact CD1-CD2 3.67Å; I2203-F2237 HydrophobicContact CD1-CB 3.85Å; I2203-F2237 HydrophobicContact CD1-CD1 3.75Å; I2203-F2237 HydrophobicContact CD1-CE1 4.44Å; I2203-F2237 HydrophobicContact CD1-CG 3.88Å; I2203-F2237 HydrophobicContact CG1-CB 4.35Å; I2203-F2237 HydrophobicContact CG1-CD1 4Å; I2203-F2237 HydrophobicContact CG1-CG 4.48Å; I2203-R2238 PolarHBondContact N-O 3.15Å; I2203-L2239 HydrophobicContact CB-CD1 4.06Å; I2203-L2239 HydrophobicContact CG2-CD1 3.84Å; I2203-L2240 PolarHBondContact O-N 3.34Å
2204L78.4Confident65.7Low1 Ų159.1 Ų59.11%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-117.5105.7177.5-176.368.4000109.3L2158 Y2159 I2160 L2161 L2240 A2243 L2262 V2264L2158-L2204 HydrophobicContact CD1-CB 3.99Å; Y2159-L2204 PolarHBondContact O-N 2.81Å; I2160-L2204 WeakPolarHBondContact CA-O 3.27Å; L2161-L2204 PolarHBondContact N-O 3.41Å; L2204-L2240 HydrophobicContact CD1-CB 3.79Å; L2204-L2240 HydrophobicContact CD1-CD1 3.96Å; L2204-A2243 HydrophobicContact CD1-CB 3.82Å; L2204-A2243 HydrophobicContact CD2-CB 4.03Å; L2204-A2243 HydrophobicContact CG-CB 3.91Å; L2204-L2262 HydrophobicContact CD1-CD1 4.28Å; L2204-V2264 HydrophobicContact CD2-CG2 4.05Å
2205P73Confident67.6Low0 Ų055.7 Ų55.70%030%0.295CS..EExtended strand (participates in β ladder)trans-72.3139.7168.929-28.2000110.1L2166 E2208 L2239 L2240 A2242 A2243L2166-P2205 HydrophobicContact CD2-CB 3.52Å; P2205-E2208 HydrophobicContact CB-CG 4.34Å; P2205-E2208 HydrophobicContact CG-CG 4.35Å; P2205-L2239 HydrophobicContact CG-CD1 4.26Å; P2205-L2240 WeakPolarHBondContact CD-O 3.24Å; P2205-A2242 WeakPolarHBondContact O-CA 3.46Å; P2205-A2243 PolarHBondContact O-N 2.94Å
2206T61Low69.5Low5 Ų548.4 Ų48.43%0.03126%0.256CS..SBendtrans-94.2-15.8170.572.20000113.2V272 P274 S282 I2160 L2161 S2162 G2163V272-T2206 HydrophobicContact CG1-CG2 3.67Å; P274-T2206 VanDerWaalsContact CB-O 3.26Å; P274-T2206 WeakPolarHBondContact CB-O 3.49Å; P274-T2206 WeakPolarHBondContact CG-O 3.16Å; S282-T2206 PolarHBondContact OG-OG1 2.72Å; I2160-T2206 HydrophobicContact CG2-CG2 3.71Å; L2161-T2206 PolarHBondContact O-N 3.45Å; L2161-T2206 PolarHBondContact O-OG1 3.43Å; S2162-T2206 WeakPolarHBondContact CA-OG1 3.19Å; G2163-T2206 PolarHBondContact N-OG1 2.98Å
2207D61.4Low70.8Confident37 Ų3751.5 Ų51.520%0.19827%0.265CS..  trans-145.8154.1177.2-166.4-5.8000107.1L2166 P2209L2166-D2207 HydrophobicContact CD1-CB 4.35Å; L2166-D2207 VanDerWaalsContact CD1-O 3.27Å; L2166-D2207 WeakPolarHBondContact CD1-O 3.29Å; D2207-P2209 WeakPolarHBondContact O-CD 3.5Å
2208E66.2Low71.9Confident65 Ų6548.3 Ų48.330%0.30424%0.243SC..  trans-126.374.6-179.9-81.2-177.1-162.500110.1P2205 I2213 A2242P2205-E2208 HydrophobicContact CB-CG 4.34Å; P2205-E2208 HydrophobicContact CG-CG 4.35Å; E2208-I2213 HydrophobicContact CB-CD1 3.98Å; E2208-I2213 HydrophobicContact CB-CG1 3.87Å; E2208-I2213 VanDerWaalsContact O-CD1 3.23Å; E2208-I2213 WeakPolarHBondContact O-CD1 3.39Å; E2208-A2242 HydrophobicContact CG-CB 3.89Å; E2208-A2242 WeakPolarHBondContact OE1-CB 3.33Å; E2208-A2242 PolarHBondContact OE1-N 3.16Å
2209P63.4Low72.5Confident33 Ų3346.4 Ų46.421%0.21424%0.237CC..  trans-65.1151.3179.227.5-35.2000111.3L2166 D2207 E2211 W2212 I2213L2166-P2209 HydrophobicContact CB-CG 3.65Å; L2166-P2209 VanDerWaalsContact O-CG 3.26Å; L2166-P2209 WeakPolarHBondContact O-CG 3.24Å; D2207-P2209 WeakPolarHBondContact O-CD 3.5Å; P2209-E2211 PolarHBondContact O-N 2.71Å; P2209-W2212 HydrophobicContact CG-CB 3.92Å; P2209-W2212 WeakPolarHBondContact O-CA 3.45Å; P2209-W2212 WeakPolarHBondContact O-CB 3.21Å; P2209-W2212 PolarHBondContact O-N 3.04Å; P2209-I2213 PolarHBondContact O-N 3.05Å; P2209-I2213 VanDerWaalsContact O-N 3.08Å
2210K62.1Low72Confident152 Ų15247 Ų4766%0.66124%0.237SC*.Hα-helixtrans-54.2-27.7-172.9-165.4169.5-172.1167.60114.7R2214K2210-R2214 WeakPolarHBondContact O-CB 3.22Å; K2210-R2214 WeakPolarHBondContact O-CD 3.48Å; K2210-R2214 WeakPolarHBondContact O-CG 3.36Å; K2210-R2214 PolarHBondContact O-N 2.77Å; K2210-R2214 VanDerWaalsContact O-N 3.07Å
2211E68.1Low70.6Confident119 Ų11949.8 Ų49.856%0.55627%0.27SS*.Hα-helixtrans-75.7-34175-62.1-170.4163.400113.3H2167 P2209 W2215H2167-E2211 IonicContact CD2-OE2 3.13Å; H2167-E2211 PolarHBondContact CD2-OE2 3.08Å; P2209-E2211 PolarHBondContact O-N 2.71Å; E2211-W2215 WeakPolarHBondContact O-CB 2.9Å; E2211-W2215 PolarHBondContact O-N 2.95Å
2212W74.9Confident69Low0 Ų055.7 Ų55.70%029%0.292CS..Hα-helixtrans-70.4-50.2174.1179-104.5000111.1L2161 L2166 A2171 P2209 R2214 W2215 L2216 L2239L2161-W2212 HydrophobicContact CD1-CH2 3.58Å; L2161-W2212 HydrophobicContact CD1-CZ2 3.97Å; L2161-W2212 HydrophobicContact CD1-CZ3 4.33Å; L2166-W2212 HydrophobicContact CB-CB 4.16Å; L2166-W2212 HydrophobicContact CB-CD2 4.13Å; L2166-W2212 HydrophobicContact CB-CE3 4.3Å; L2166-W2212 HydrophobicContact CB-CG 4.08Å; L2166-W2212 HydrophobicContact CD2-CD2 3.69Å; L2166-W2212 VanDerWaalsContact CD2-CE2 3.49Å; L2166-W2212 HydrophobicContact CD2-CE3 4.22Å; L2166-W2212 HydrophobicContact CD2-CG 4Å; L2166-W2212 HydrophobicContact CD2-CH2 4.4Å; L2166-W2212 HydrophobicContact CD2-CZ2 3.89Å; L2166-W2212 WeakPolarHBondContact O-CB 3.38Å; A2171-W2212 HydrophobicContact CB-CH2 3.88Å; A2171-W2212 HydrophobicContact CB-CZ3 3.76Å; P2209-W2212 HydrophobicContact CG-CB 3.92Å; P2209-W2212 WeakPolarHBondContact O-CA 3.45Å; P2209-W2212 WeakPolarHBondContact O-CB 3.21Å; P2209-W2212 PolarHBondContact O-N 3.04Å; W2212-R2214 PolarHBondContact O-N 3.22Å; W2212-W2215 HydrophobicContact CZ3-CE3 4.47Å; W2212-W2215 HydrophobicContact CZ3-CZ3 4.4Å; W2212-W2215 PolarHBondContact O-N 3.38Å; W2212-W2215 VanDerWaalsContact O-N 3.13Å; W2212-L2216 HydrophobicContact CD2-CD1 4.46Å; W2212-L2216 HydrophobicContact CG-CD1 4.37Å; W2212-L2216 HydrophobicContact CZ2-CD1 4.4Å; W2212-L2216 HydrophobicContact CZ2-CD2 4.47Å; W2212-L2216 VanDerWaalsContact NE1-CD1 3.28Å; W2212-L2216 WeakPolarHBondContact O-CG 3.4Å; W2212-L2216 PolarHBondContact O-N 3.15Å; W2212-L2239 HydrophobicContact CZ2-CD1 4.33Å
2213I74.4Confident67.2Low51 Ų5162.9 Ų62.926%0.26233%0.328SS..Hα-helixtrans-55.4-51.5174.1-60.7178.4000109.8E2208 P2209 W2215 L2216 E2217E2208-I2213 HydrophobicContact CB-CD1 3.98Å; E2208-I2213 HydrophobicContact CB-CG1 3.87Å; E2208-I2213 VanDerWaalsContact O-CD1 3.23Å; E2208-I2213 WeakPolarHBondContact O-CD1 3.39Å; P2209-I2213 PolarHBondContact O-N 3.05Å; P2209-I2213 VanDerWaalsContact O-N 3.08Å; I2213-W2215 VanDerWaalsContact C-N 3.3Å; I2213-W2215 PolarHBondContact O-N 2.83Å; I2213-L2216 PolarHBondContact O-N 3.32Å; I2213-E2217 VanDerWaalsContact CG2-CD 3.49Å; I2213-E2217 HydrophobicContact CG2-CG 4.06Å; I2213-E2217 VanDerWaalsContact CG2-OE2 3.24Å; I2213-E2217 WeakPolarHBondContact CG2-OE2 3.22Å; I2213-E2217 WeakPolarHBondContact O-CB 3.44Å; I2213-E2217 WeakPolarHBondContact O-CG 3.27Å; I2213-E2217 PolarHBondContact O-N 3.1Å
2214R70.5Confident65.9Low141 Ų14167.6 Ų67.653%0.53235%0.354SS..Hα-helixtrans-55-43.1176.5-81.4172.1165.1-174.9-8.3112.7K2210 W2212 T2218K2210-R2214 WeakPolarHBondContact O-CB 3.22Å; K2210-R2214 WeakPolarHBondContact O-CD 3.48Å; K2210-R2214 WeakPolarHBondContact O-CG 3.36Å; K2210-R2214 PolarHBondContact O-N 2.77Å; K2210-R2214 VanDerWaalsContact O-N 3.07Å; W2212-R2214 PolarHBondContact O-N 3.22Å; R2214-T2218 WeakPolarHBondContact O-CA 3.15Å; R2214-T2218 WeakPolarHBondContact O-CB 3.46Å; R2214-T2218 PolarHBondContact O-N 3.32Å; R2214-T2218 PolarHBondContact O-OG1 2.97Å
2215W80.6Confident65.1Low11 Ų1176 Ų764%0.04239%0.393CS..Hα-helixtrans-69.5-35.7176.7-179.887000113P2168 A2171 E2172 I2175 E2211 W2212 I2213 C2220 G2228 L2232P2168-W2215 HydrophobicContact CB-CB 4.13Å; P2168-W2215 HydrophobicContact CB-CD2 3.98Å; P2168-W2215 HydrophobicContact CB-CG 3.63Å; P2168-W2215 HydrophobicContact CG-CB 3.48Å; P2168-W2215 VanDerWaalsContact CG-CB 3.48Å; P2168-W2215 HydrophobicContact CG-CD2 4.27Å; P2168-W2215 HydrophobicContact CG-CG 3.58Å; A2171-W2215 HydrophobicContact CB-CH2 3.37Å; A2171-W2215 HydrophobicContact CB-CZ2 4.12Å; A2171-W2215 HydrophobicContact CB-CZ3 3.6Å; E2172-W2215 HydrophobicContact CG-CZ2 4.45Å; E2172-W2215 PolarHBondContact OE1-NE1 3.06Å; E2172-W2215 VanDerWaalsContact OE1-NE1 3.14Å; I2175-W2215 HydrophobicContact CD1-CH2 4.43Å; E2211-W2215 WeakPolarHBondContact O-CB 2.9Å; E2211-W2215 PolarHBondContact O-N 2.95Å; W2212-W2215 HydrophobicContact CZ3-CE3 4.47Å; W2212-W2215 HydrophobicContact CZ3-CZ3 4.4Å; W2212-W2215 PolarHBondContact O-N 3.38Å; W2212-W2215 VanDerWaalsContact O-N 3.13Å; I2213-W2215 VanDerWaalsContact C-N 3.3Å; I2213-W2215 PolarHBondContact O-N 2.83Å; W2215-C2220 HydrophobicContact CB-CB 4.45Å; W2215-C2220 HydrophobicContact CG-CB 4.48Å; W2215-G2228 WeakPolarHBondContact O-CA 3.48Å; W2215-G2228 PolarHBondContact O-N 3.42Å; W2215-L2232 HydrophobicContact CH2-CD1 4.46Å; W2215-L2232 HydrophobicContact CH2-CG 4.17Å; W2215-L2232 HydrophobicContact CZ3-CD1 4.1Å; W2215-L2232 HydrophobicContact CZ3-CG 4.31Å
2216L82.4Confident65.2Low12 Ų1281 Ų816%0.06342%0.416CS..Hα-helixtrans-69.5-35.7176-74.1179.6000113.4W2212 I2213 K2227 S2229 L2232 L2239W2212-L2216 HydrophobicContact CD2-CD1 4.46Å; W2212-L2216 HydrophobicContact CG-CD1 4.37Å; W2212-L2216 HydrophobicContact CZ2-CD1 4.4Å; W2212-L2216 HydrophobicContact CZ2-CD2 4.47Å; W2212-L2216 VanDerWaalsContact NE1-CD1 3.28Å; W2212-L2216 WeakPolarHBondContact O-CG 3.4Å; W2212-L2216 PolarHBondContact O-N 3.15Å; I2213-L2216 PolarHBondContact O-N 3.32Å; L2216-K2227 WeakPolarHBondContact O-CB 3.44Å; L2216-S2229 VanDerWaalsContact O-CB 3.25Å; L2216-S2229 WeakPolarHBondContact O-CB 3.46Å; L2216-S2229 PolarHBondContact O-N 2.87Å; L2216-S2229 PolarHBondContact O-OG 3.11Å; L2216-L2232 HydrophobicContact CD2-CD1 3.9Å; L2216-L2239 HydrophobicContact CD1-CD2 3.54Å; L2216-L2239 HydrophobicContact CD2-CD2 3.71Å; L2216-L2239 HydrophobicContact CG-CD2 4.28Å
2217E78.7Confident66.2Low118 Ų11884.9 Ų84.955%0.55143%0.433SS*.Hα-helixtrans-104.9-25.9-169.5-64.2-172.4148.600114.8I2213 K2227I2213-E2217 VanDerWaalsContact CG2-CD 3.49Å; I2213-E2217 HydrophobicContact CG2-CG 4.06Å; I2213-E2217 VanDerWaalsContact CG2-OE2 3.24Å; I2213-E2217 WeakPolarHBondContact CG2-OE2 3.22Å; I2213-E2217 WeakPolarHBondContact O-CB 3.44Å; I2213-E2217 WeakPolarHBondContact O-CG 3.27Å; I2213-E2217 PolarHBondContact O-N 3.1Å; E2217-K2227 WeakPolarHBondContact O-CD 3.47Å; E2217-K2227 WeakPolarHBondContact O-CE 3.5Å; E2217-K2227 PolarHBondContact O-NZ 3.46Å
2218T67.8Low67.3Low59 Ų5983.1 Ų83.136%0.36242%0.424SS..SBendtrans-116.4148.6-176.177.60000111.6R2214 C2220R2214-T2218 WeakPolarHBondContact O-CA 3.15Å; R2214-T2218 WeakPolarHBondContact O-CB 3.46Å; R2214-T2218 PolarHBondContact O-N 3.32Å; R2214-T2218 PolarHBondContact O-OG1 2.97Å; T2218-C2220 VanDerWaalsContact C-N 3.34Å; T2218-C2220 PolarHBondContact O-N 2.7Å
2219P68.8Low68.1Low75 Ų7581.3 Ų81.349%0.48742%0.418SS..  trans-65.488.4171.2-23.536.3000111.6G2221 E2225P2219-G2221 VanDerWaalsContact C-N 3.31Å; P2219-G2221 PolarHBondContact O-N 2.78Å; P2219-E2225 WeakPolarHBondContact CG-O 3.15Å
2220C50.3Low69.1Low57 Ų5782.7 Ų82.739%0.38542%0.424SS..  trans-7571.9-170.4-100.90000114.3W2215 T2218 R2222W2215-C2220 HydrophobicContact CB-CB 4.45Å; W2215-C2220 HydrophobicContact CG-CB 4.48Å; T2218-C2220 VanDerWaalsContact C-N 3.34Å; T2218-C2220 PolarHBondContact O-N 2.7Å; C2220-R2222 VanDerWaalsContact C-N 3.28Å; C2220-R2222 PolarHBondContact O-N 3.14Å; C2220-R2222 VanDerWaalsContact O-N 3.07Å
2221G45.1Very low70.3Confident82 Ų8277 Ų7785%0.84540%0.398SS*.SBendtrans66.815.2156.300000117.1P2219P2219-G2221 VanDerWaalsContact C-N 3.31Å; P2219-G2221 PolarHBondContact O-N 2.78Å
2222R50.9Low71.2Confident124 Ų12471.4 Ų71.447%0.46837%0.372SS..SBendtrans-101.5166.8171.5-67.4-169.6178.1-177.77.5110.6E2172 C2220 D2224E2172-R2222 VanDerWaalsContact CD-CZ 3.41Å; E2172-R2222 IonicContact OE1-CZ 3.56Å; E2172-R2222 VanDerWaalsContact OE1-CZ 3.28Å; E2172-R2222 IonicContact OE1-NE 2.75Å; E2172-R2222 IonicContact OE1-NH1 2.65Å; E2172-R2222 PolarHBondContact OE1-NH1 2.96Å; E2172-R2222 IonicContact OE1-NH2 3.25Å; E2172-R2222 PolarHBondContact OE1-NH2 3.05Å; E2172-R2222 IonicContact OE2-CZ 2.68Å; E2172-R2222 IonicContact OE2-NH1 2.99Å; E2172-R2222 PolarHBondContact OE2-NH1 2.99Å; E2172-R2222 IonicContact OE2-NH2 3.76Å; E2172-R2222 PolarHBondContact OE2-NH2 3.24Å; C2220-R2222 VanDerWaalsContact C-N 3.28Å; C2220-R2222 PolarHBondContact O-N 3.14Å; C2220-R2222 VanDerWaalsContact O-N 3.07Å; R2222-D2224 PolarHBondContact O-N 2.72Å
2223L46.9Very low71.8Confident178 Ų17878.4 Ų78.493%0.93240%0.402SS*.SBendtrans-67.8-11.5-179.4-70.2167.1000113.7
2224D58.8Low72.3Confident99 Ų9979.2 Ų79.253%0.52942%0.417SS..SBendtrans-103.6116.3177.9-34.6-65.1000108R2222 Q2226R2222-D2224 PolarHBondContact O-N 2.72Å; D2224-Q2226 PolarHBondContact O-N 3.2Å
2225E61.6Low73.1Confident177 Ų17774.6 Ų74.683%0.82740%0.403SS*.  trans-70.213.6-173.3-60.1176.7153.500114.4P2219P2219-E2225 WeakPolarHBondContact CG-O 3.15Å
2226Q74.4Confident73.4Confident105 Ų10580.5 Ų80.549%0.49143%0.43SS..  trans-82.5140.3-175.6-64.8-177.6-17.400112.2D2224 R2231D2224-Q2226 PolarHBondContact O-N 3.2Å; Q2226-R2231 HydrophobicContact CB-CG 3.77Å
2227K83.1Confident73.7Confident87 Ų8780.1 Ų80.138%0.37843%0.428SS..  trans-72.4156.7173-49.2174.3173.4-139.10110.3L2216 E2217 S2229 D2230 R2231L2216-K2227 WeakPolarHBondContact O-CB 3.44Å; E2217-K2227 WeakPolarHBondContact O-CD 3.47Å; E2217-K2227 WeakPolarHBondContact O-CE 3.5Å; E2217-K2227 PolarHBondContact O-NZ 3.46Å; K2227-S2229 VanDerWaalsContact C-N 3.26Å; K2227-S2229 PolarHBondContact O-N 2.85Å; K2227-D2230 WeakPolarHBondContact CB-OD2 3.37Å; K2227-D2230 WeakPolarHBondContact CG-OD2 3.38Å; K2227-D2230 PolarHBondContact N-OD2 3.12Å; K2227-D2230 VanDerWaalsContact N-OD2 3.07Å; K2227-D2230 WeakPolarHBondContact O-CB 3.47Å; K2227-D2230 PolarHBondContact O-N 3.29Å; K2227-R2231 WeakPolarHBondContact O-CG 3.09Å; K2227-R2231 PolarHBondContact O-N 3.08Å
2228G83.4Confident74Confident1 Ų181.2 Ų81.21%0.0143%0.428CS..Hα-helixtrans-61.4-33.9176.400000113W2215 R2231 L2232W2215-G2228 WeakPolarHBondContact O-CA 3.48Å; W2215-G2228 PolarHBondContact O-N 3.42Å; G2228-R2231 PolarHBondContact O-N 3.1Å; G2228-L2232 WeakPolarHBondContact O-CG 3.36Å; G2228-L2232 PolarHBondContact O-N 2.63Å
2229S83.2Confident74.8Confident26 Ų2680.9 Ų80.918%0.18242%0.423CS..Hα-helixtrans-64-44.6172.856.30000112.2L2216 K2227 R2231 L2232 K2233L2216-S2229 VanDerWaalsContact O-CB 3.25Å; L2216-S2229 WeakPolarHBondContact O-CB 3.46Å; L2216-S2229 PolarHBondContact O-N 2.87Å; L2216-S2229 PolarHBondContact O-OG 3.11Å; K2227-S2229 VanDerWaalsContact C-N 3.26Å; K2227-S2229 PolarHBondContact O-N 2.85Å; S2229-R2231 VanDerWaalsContact C-N 3.3Å; S2229-R2231 PolarHBondContact O-N 2.74Å; S2229-L2232 PolarHBondContact O-N 3.4Å; S2229-K2233 WeakPolarHBondContact O-CG 3.31Å; S2229-K2233 PolarHBondContact O-N 3.26Å
2230D85.1Confident75.1Confident63 Ų6378.9 Ų78.934%0.33741%0.408SS..Hα-helixtrans-59.8-42.2174.1-54.4-39000111K2227 K2233 A2234K2227-D2230 WeakPolarHBondContact CB-OD2 3.37Å; K2227-D2230 WeakPolarHBondContact CG-OD2 3.38Å; K2227-D2230 PolarHBondContact N-OD2 3.12Å; K2227-D2230 VanDerWaalsContact N-OD2 3.07Å; K2227-D2230 WeakPolarHBondContact O-CB 3.47Å; K2227-D2230 PolarHBondContact O-N 3.29Å; D2230-K2233 PolarHBondContact O-N 3.16Å; D2230-A2234 WeakPolarHBondContact O-CB 3.5Å; D2230-A2234 PolarHBondContact O-N 3.48Å
2231R87.7Confident75.7Confident33 Ų3380.3 Ų80.313%0.12542%0.417CS..Hα-helixtrans-70.4-30.8-179.4-69.5173.862.5-133-9113E2172 I2175 Q2226 K2227 G2228 S2229 N2235E2172-R2231 VanDerWaalsContact CD-NH2 3.32Å; E2172-R2231 IonicContact OE1-CZ 2.78Å; E2172-R2231 IonicContact OE1-NH1 3.95Å; E2172-R2231 PolarHBondContact OE1-NH1 2.85Å; E2172-R2231 IonicContact OE1-NH2 3.66Å; E2172-R2231 PolarHBondContact OE1-NH2 2.9Å; E2172-R2231 VanDerWaalsContact OE1-NH2 3.16Å; E2172-R2231 IonicContact OE2-CZ 2.74Å; E2172-R2231 IonicContact OE2-NH1 2.72Å; E2172-R2231 IonicContact OE2-NH2 3.19Å; E2172-R2231 PolarHBondContact OE2-NH2 2.84Å; I2175-R2231 HydrophobicContact CD1-CB 4.43Å; Q2226-R2231 HydrophobicContact CB-CG 3.77Å; K2227-R2231 WeakPolarHBondContact O-CG 3.09Å; K2227-R2231 PolarHBondContact O-N 3.08Å; G2228-R2231 PolarHBondContact O-N 3.1Å; S2229-R2231 VanDerWaalsContact C-N 3.3Å; S2229-R2231 PolarHBondContact O-N 2.74Å; R2231-N2235 PolarHBondContact O-N 3.13Å; R2231-N2235 PolarHBondContact O-ND2 3.2Å
2232L87.6Confident76.5Confident1 Ų177.9 Ų77.91%0.00539%0.389CS..Hα-helixtrans-69.1-49.7168.7-75.3175.7000111.3A2171 I2175 I2203 W2215 L2216 G2228 S2229 A2234 N2235 H2236 F2237A2171-L2232 HydrophobicContact CB-CD2 4.3Å; I2175-L2232 HydrophobicContact CD1-CD2 4.09Å; I2175-L2232 HydrophobicContact CG1-CD2 4.29Å; I2203-L2232 HydrophobicContact CD1-CD1 4.27Å; I2203-L2232 HydrophobicContact CD1-CD2 3.67Å; W2215-L2232 HydrophobicContact CH2-CD1 4.46Å; W2215-L2232 HydrophobicContact CH2-CG 4.17Å; W2215-L2232 HydrophobicContact CZ3-CD1 4.1Å; W2215-L2232 HydrophobicContact CZ3-CG 4.31Å; L2216-L2232 HydrophobicContact CD2-CD1 3.9Å; G2228-L2232 WeakPolarHBondContact O-CG 3.36Å; G2228-L2232 PolarHBondContact O-N 2.63Å; S2229-L2232 PolarHBondContact O-N 3.4Å; L2232-A2234 PolarHBondContact O-N 2.84Å; L2232-N2235 CarbonylContact O-C 3.51Å; L2232-N2235 PolarHBondContact O-N 2.91Å; L2232-H2236 PolarHBondContact O-N 3.34Å; L2232-F2237 HydrophobicContact CB-CB 4.23Å; L2232-F2237 HydrophobicContact CD2-CB 4.25Å; L2232-F2237 HydrophobicContact CD2-CD2 4.05Å; L2232-F2237 HydrophobicContact CD2-CG 4.3Å; L2232-F2237 PolarHBondContact O-N 3.18Å
2233K85.9Confident76.6Confident146 Ų14672 Ų7264%0.63537%0.367SS*.Hα-helixtrans-56.8-47.9177.3-72.1171.5-179.2176.30111.7S2229 D2230 N2235 H2236S2229-K2233 WeakPolarHBondContact O-CG 3.31Å; S2229-K2233 PolarHBondContact O-N 3.26Å; D2230-K2233 PolarHBondContact O-N 3.16Å; K2233-N2235 PolarHBondContact O-N 3.19Å; K2233-N2235 VanDerWaalsContact O-N 3.16Å; K2233-H2236 PolarHBondContact O-N 3.07Å
2234A86.4Confident76.4Confident69 Ų6968.8 Ų68.857%0.5735%0.35SS*.THydrogen-bonded Turntrans-63.5-17.7177.600000114.1D2230 L2232D2230-A2234 WeakPolarHBondContact O-CB 3.5Å; D2230-A2234 PolarHBondContact O-N 3.48Å; L2232-A2234 PolarHBondContact O-N 2.84Å
2235N87.5Confident75.5Confident43 Ų4366.1 Ų66.123%0.2334%0.336CS..THydrogen-bonded Turntrans-101.120.3172.8-78.3-89.9000112.5I2175 K2178 R2231 L2232 K2233 F2237I2175-N2235 HydrophobicContact CG1-CB 4.38Å; K2178-N2235 WeakPolarHBondContact CD-O 3.25Å; K2178-N2235 VanDerWaalsContact CE-O 3.24Å; K2178-N2235 WeakPolarHBondContact CE-O 3.43Å; K2178-N2235 PolarHBondContact NZ-O 3.08Å; R2231-N2235 PolarHBondContact O-N 3.13Å; R2231-N2235 PolarHBondContact O-ND2 3.2Å; L2232-N2235 CarbonylContact O-C 3.51Å; L2232-N2235 PolarHBondContact O-N 2.91Å; K2233-N2235 PolarHBondContact O-N 3.19Å; K2233-N2235 VanDerWaalsContact O-N 3.16Å; N2235-F2237 HydrophobicContact CB-CD2 3.78Å; N2235-F2237 HydrophobicContact CB-CE2 3.89Å; N2235-F2237 WeakPolarHBondContact O-CD2 3.27Å; N2235-F2237 PolarHBondContact O-N 3.21Å
2236H86.3Confident74.3Confident135 Ų13561.2 Ų61.263%0.62532%0.32SS*.THydrogen-bonded Turntrans53.447.4-177.8-52.8-85.7000113.1K2178 I2201 L2232 K2233K2178-H2236 PolarHBondContact NZ-O 2.83Å; I2201-H2236 PolarHBondContact N-O 3.37Å; L2232-H2236 PolarHBondContact O-N 3.34Å; K2233-H2236 PolarHBondContact O-N 3.07Å
2237F88.1Confident72.4Confident5 Ų560.5 Ų60.52%0.02233%0.327CS..EExtended strand (participates in β ladder)trans-110.6131.1165.9-66-80.5000110.5L2174 I2175 K2178 I2201 I2203 L2232 N2235L2174-F2237 HydrophobicContact CD1-CE1 4.14Å; L2174-F2237 HydrophobicContact CD1-CZ 3.98Å; L2174-F2237 HydrophobicContact CD2-CD1 4.43Å; L2174-F2237 HydrophobicContact CD2-CE1 3.81Å; L2174-F2237 HydrophobicContact CD2-CZ 4Å; L2174-F2237 HydrophobicContact CG-CE1 3.87Å; L2174-F2237 HydrophobicContact CG-CE2 4.38Å; L2174-F2237 HydrophobicContact CG-CZ 3.58Å; I2175-F2237 HydrophobicContact CG1-CE2 4.29Å; K2178-F2237 HydrophobicContact CB-CE2 4.42Å; K2178-F2237 HydrophobicContact CB-CZ 4.19Å; K2178-F2237 HydrophobicContact CD-CD2 4.41Å; K2178-F2237 HydrophobicContact CD-CE1 4.16Å; K2178-F2237 HydrophobicContact CD-CE2 3.51Å; K2178-F2237 HydrophobicContact CD-CZ 3.35Å; K2178-F2237 HydrophobicContact CG-CZ 4.39Å; I2201-F2237 HydrophobicContact CB-CD1 3.75Å; I2201-F2237 HydrophobicContact CB-CE1 4.02Å; I2201-F2237 HydrophobicContact CG2-CD1 3.68Å; I2201-F2237 HydrophobicContact CG2-CE1 3.7Å; I2201-F2237 CarbonylContact O-C 3.42Å; I2201-F2237 VanDerWaalsContact O-CA 3.22Å; I2201-F2237 WeakPolarHBondContact O-CA 3.49Å; I2203-F2237 HydrophobicContact CD1-CB 3.85Å; I2203-F2237 HydrophobicContact CD1-CD1 3.75Å; I2203-F2237 HydrophobicContact CD1-CE1 4.44Å; I2203-F2237 HydrophobicContact CD1-CG 3.88Å; I2203-F2237 HydrophobicContact CG1-CB 4.35Å; I2203-F2237 HydrophobicContact CG1-CD1 4Å; I2203-F2237 HydrophobicContact CG1-CG 4.48Å; L2232-F2237 HydrophobicContact CB-CB 4.23Å; L2232-F2237 HydrophobicContact CD2-CB 4.25Å; L2232-F2237 HydrophobicContact CD2-CD2 4.05Å; L2232-F2237 HydrophobicContact CD2-CG 4.3Å; L2232-F2237 PolarHBondContact O-N 3.18Å; N2235-F2237 HydrophobicContact CB-CD2 3.78Å; N2235-F2237 HydrophobicContact CB-CE2 3.89Å; N2235-F2237 WeakPolarHBondContact O-CD2 3.27Å; N2235-F2237 PolarHBondContact O-N 3.21Å
2238R85.9Confident70.2Confident141 Ų14158.3 Ų58.353%0.53232%0.321SS..EExtended strand (participates in β ladder)trans-92.7106.9169.9-179.6178.7-179.5-178.60.5108.3I2201 T2202 I2203I2201-R2238 PolarHBondContact O-N 2.94Å; T2202-R2238 CarbonylContact C-O 3.39Å; T2202-R2238 VanDerWaalsContact CA-O 3.32Å; T2202-R2238 WeakPolarHBondContact CA-O 3.49Å; I2203-R2238 PolarHBondContact N-O 3.15Å
2239L83Confident67.9Low52 Ų5264.2 Ų64.227%0.27235%0.348SS..EExtended strand (participates in β ladder)trans-78.3128169.4-176.567.4000109I2203 P2205 W2212 L2216I2203-L2239 HydrophobicContact CB-CD1 4.06Å; I2203-L2239 HydrophobicContact CG2-CD1 3.84Å; P2205-L2239 HydrophobicContact CG-CD1 4.26Å; W2212-L2239 HydrophobicContact CZ2-CD1 4.33Å; L2216-L2239 HydrophobicContact CD1-CD2 3.54Å; L2216-L2239 HydrophobicContact CD2-CD2 3.71Å; L2216-L2239 HydrophobicContact CG-CD2 4.28Å
2240L75.8Confident65.5Low33 Ų3368.4 Ų68.417%0.17336%0.363CS..PPolyproline II helixtrans-92.1157.5165.2-64.7177.6000109.8T2202 I2203 L2204 P2205T2202-L2240 HydrophobicContact CG2-CD1 3.49Å; T2202-L2240 VanDerWaalsContact CG2-CD1 3.49Å; T2202-L2240 HydrophobicContact CG2-CG 3.67Å; I2203-L2240 PolarHBondContact O-N 3.34Å; L2204-L2240 HydrophobicContact CD1-CB 3.79Å; L2204-L2240 HydrophobicContact CD1-CD1 3.96Å; P2205-L2240 WeakPolarHBondContact CD-O 3.24Å
2241P63.9Low63Low86 Ų8671 Ų7156%0.55838%0.377SS*.PPolyproline II helixtrans-58.1162.8169.5-21.733.3000112.8A2243 L2262P2241-A2243 PolarHBondContact O-N 3.16Å; P2241-L2262 HydrophobicContact CB-CD1 4.44Å
2242A61.3Low60.3Low32 Ų3272.2 Ų72.226%0.26439%0.394SS..  trans-44.5130167.100000112.3P2205 E2208 N2244P2205-A2242 WeakPolarHBondContact O-CA 3.46Å; E2208-A2242 HydrophobicContact CG-CB 3.89Å; E2208-A2242 WeakPolarHBondContact OE1-CB 3.33Å; E2208-A2242 PolarHBondContact OE1-N 3.16Å; A2242-N2244 PolarHBondContact O-N 3.27Å
2243A51.8Low58.4Low0 Ų075.1 Ų75.10%042%0.424CS..  trans-7666.3-17600000113P274 L2204 P2205 P2241 L2245P274-A2243 WeakPolarHBondContact CG-O 3.49Å; L2204-A2243 HydrophobicContact CD1-CB 3.82Å; L2204-A2243 HydrophobicContact CD2-CB 4.03Å; L2204-A2243 HydrophobicContact CG-CB 3.91Å; P2205-A2243 PolarHBondContact O-N 2.94Å; P2241-A2243 PolarHBondContact O-N 3.16Å; A2243-L2245 HydrophobicContact CB-CD1 3.66Å; A2243-L2245 HydrophobicContact CB-CG 4.09Å; A2243-L2245 PolarHBondContact O-N 3.43Å
2244N43Very low56Low110 Ų11076.2 Ų76.259%0.58844%0.437SS*.  trans-61.6104.6158.6-99.1-2.6000107.4A2242 G2261 L2262A2242-N2244 PolarHBondContact O-N 3.27Å; N2244-G2261 WeakPolarHBondContact O-CA 3.39Å; N2244-L2262 PolarHBondContact O-N 2.96Å
2245L40.1Very low53.4Low44 Ų4476.6 Ų76.623%0.2343%0.433CS..  trans-104.516.6-163.7-98.7158.1000113.7V272 A2243 L2262V272-L2245 HydrophobicContact CB-CD1 3.56Å; V272-L2245 HydrophobicContact CG1-CD1 4.12Å; V272-L2245 VanDerWaalsContact O-CD1 3.23Å; V272-L2245 WeakPolarHBondContact O-CD1 3.12Å; A2243-L2245 HydrophobicContact CB-CD1 3.66Å; A2243-L2245 HydrophobicContact CB-CG 4.09Å; A2243-L2245 PolarHBondContact O-N 3.43Å; L2245-L2262 WeakPolarHBondContact CD2-O 3.06Å
2246C36.7Very low51Low74 Ų7478.8 Ų78.850%0.544%0.443SS..  trans-118.9108.4177.6-55.90000108.4T2248C2246-T2248 VanDerWaalsContact C-N 3.32Å; C2246-T2248 WeakPolarHBondContact CB-OG1 3.46Å; C2246-T2248 PolarHBondContact O-N 2.66Å; C2246-T2248 PolarHBondContact O-OG1 2.9Å
2247S35.4Very low48.5Very low89 Ų8977.8 Ų77.862%0.62244%0.437SS*.  trans-62.8102.5160.9-65.70000106.7C2259 G2261S2247-C2259 CarbonylContact C-O 3.58Å; S2247-C2259 VanDerWaalsContact CA-O 3.29Å; S2247-C2259 WeakPolarHBondContact CA-O 3.11Å; S2247-G2261 PolarHBondContact OG-N 2.61Å
2248T35.9Very low46.1Very low42 Ų4283 Ų8326%0.25846%0.461SS..EExtended strand (participates in β ladder)trans-120.3104.9-168.7-49.10000108.3C2246 F2250 C2259C2246-T2248 VanDerWaalsContact C-N 3.32Å; C2246-T2248 WeakPolarHBondContact CB-OG1 3.46Å; C2246-T2248 PolarHBondContact O-N 2.66Å; C2246-T2248 PolarHBondContact O-OG1 2.9Å; T2248-F2250 HydrophobicContact CG2-CD1 3.93Å; T2248-F2250 HydrophobicContact CG2-CD2 3.87Å; T2248-F2250 HydrophobicContact CG2-CE1 3.62Å; T2248-F2250 HydrophobicContact CG2-CE2 3.56Å; T2248-F2250 HydrophobicContact CG2-CG 4.06Å; T2248-F2250 HydrophobicContact CG2-CZ 3.43Å; T2248-F2250 VanDerWaalsContact CG2-CZ 3.43Å; T2248-F2250 WeakPolarHBondContact O-CD2 3.39Å; T2248-F2250 PolarHBondContact O-N 3.08Å; T2248-C2259 PolarHBondContact N-O 2.64Å; T2248-C2259 PolarHBondContact O-N 3Å
2249Q35.5Very low43.8Very low124 Ų12478.6 Ų78.658%0.57945%0.452SS*.EExtended strand (participates in β ladder)trans-76.2104.7162.3-69.3179.1-1.800107.3I2256 F2257 E2258Q2249-I2256 HydrophobicContact CB-CG2 4.36Å; Q2249-I2256 HydrophobicContact CG-CG2 4.37Å; Q2249-F2257 WeakPolarHBondContact CA-O 3.44Å; Q2249-E2258 HydrophobicContact CG-CB 4.18Å; Q2249-E2258 HydrophobicContact CG-CG 4.11Å; Q2249-E2258 PolarHBondContact NE2-OE1 2.77Å
2250F32.2Very low41.6Very low115 Ų11583.9 Ų83.950%0.50448%0.475SS..EExtended strand (participates in β ladder)trans-86.5128.2166-55.4-91.9000107.3T2248 F2257 C2259T2248-F2250 HydrophobicContact CG2-CD1 3.93Å; T2248-F2250 HydrophobicContact CG2-CD2 3.87Å; T2248-F2250 HydrophobicContact CG2-CE1 3.62Å; T2248-F2250 HydrophobicContact CG2-CE2 3.56Å; T2248-F2250 HydrophobicContact CG2-CG 4.06Å; T2248-F2250 HydrophobicContact CG2-CZ 3.43Å; T2248-F2250 VanDerWaalsContact CG2-CZ 3.43Å; T2248-F2250 WeakPolarHBondContact O-CD2 3.39Å; T2248-F2250 PolarHBondContact O-N 3.08Å; F2250-F2257 HydrophobicContact CB-CB 4.3Å; F2250-F2257 PolarHBondContact N-O 3.14Å; F2250-F2257 PolarHBondContact O-N 2.65Å; F2250-C2259 HydrophobicContact CD2-CB 4.42Å; F2250-C2259 HydrophobicContact CE2-CB 3.96Å
2251N32.5Very low40Very low117 Ų11783 Ų8363%0.62648%0.475SS*.EExtended strand (participates in β ladder)trans-100.8125.4169.7-159.525.7000109.1G2253 T2255N2251-G2253 PolarHBondContact ND2-O 3.13Å; N2251-G2253 PolarHBondContact OD1-O 3.39Å; N2251-T2255 PolarHBondContact OD1-O 2.99Å
2252A31.3Very low39.1Very low59 Ų5981.4 Ų81.449%0.48846%0.461SS..EExtended strand (participates in β ladder)trans-131.996.3179.600000109.6T2255 F2257A2252-T2255 PolarHBondContact N-O 3.33Å; A2252-T2255 PolarHBondContact O-N 3.29Å; A2252-F2257 HydrophobicContact CB-CD2 4.19Å; A2252-F2257 HydrophobicContact CB-CE2 3.97Å
2253G48.5Very low38.3Very low61 Ų6187.8 Ų87.863%0.62948%0.478SS*.THydrogen-bonded Turntrans66.5-137.1-163.500000110.3N2251 T2255N2251-G2253 PolarHBondContact ND2-O 3.13Å; N2251-G2253 PolarHBondContact OD1-O 3.39Å; G2253-T2255 PolarHBondContact O-N 3.35Å
2254D34.1Very low38.1Very low170 Ų17090 Ų9091%0.90949%0.491SS*.THydrogen-bonded Turntrans-82.96.1177.8-47.9-60.5000113.3
2255T31.4Very low38Very low77 Ų7790.5 Ų90.547%0.47249%0.49SS..EExtended strand (participates in β ladder)trans-105.5113.3-176.3-51.40000111.5N2251 A2252 G2253 F2257N2251-T2255 PolarHBondContact OD1-O 2.99Å; A2252-T2255 PolarHBondContact N-O 3.33Å; A2252-T2255 PolarHBondContact O-N 3.29Å; G2253-T2255 PolarHBondContact O-N 3.35Å; T2255-F2257 HydrophobicContact CG2-CD2 3.95Å; T2255-F2257 HydrophobicContact CG2-CE1 4.25Å; T2255-F2257 HydrophobicContact CG2-CE2 3.39Å; T2255-F2257 HydrophobicContact CG2-CZ 3.57Å; T2255-F2257 WeakPolarHBondContact O-CD2 3.13Å
2256I38.5Very low37.9Very low88 Ų8894.9 Ų94.945%0.45151%0.513SS..EExtended strand (participates in β ladder)trans-81.3116.7171.7-58.9170.2000108.8Q2249Q2249-I2256 HydrophobicContact CB-CG2 4.36Å; Q2249-I2256 HydrophobicContact CG-CG2 4.37Å
2257F33.5Very low38Very low115 Ų11596 Ų9650%0.50451%0.514SS..EExtended strand (participates in β ladder)trans-101.999.3172.2-66.5-93.5000109.5Q2249 F2250 A2252 T2255 C2259Q2249-F2257 WeakPolarHBondContact CA-O 3.44Å; F2250-F2257 HydrophobicContact CB-CB 4.3Å; F2250-F2257 PolarHBondContact N-O 3.14Å; F2250-F2257 PolarHBondContact O-N 2.65Å; A2252-F2257 HydrophobicContact CB-CD2 4.19Å; A2252-F2257 HydrophobicContact CB-CE2 3.97Å; T2255-F2257 HydrophobicContact CG2-CD2 3.95Å; T2255-F2257 HydrophobicContact CG2-CE1 4.25Å; T2255-F2257 HydrophobicContact CG2-CE2 3.39Å; T2255-F2257 HydrophobicContact CG2-CZ 3.57Å; T2255-F2257 WeakPolarHBondContact O-CD2 3.13Å; F2257-C2259 PolarHBondContact O-N 2.61Å
2258E38Very low38.1Very low113 Ų11396.3 Ų96.353%0.52851%0.508SS..EExtended strand (participates in β ladder)trans-83.1111.1173.6-175.5153.4-12000111Q2249Q2249-E2258 HydrophobicContact CG-CB 4.18Å; Q2249-E2258 HydrophobicContact CG-CG 4.11Å; Q2249-E2258 PolarHBondContact NE2-OE1 2.77Å
2259C36.6Very low38.3Very low49 Ų4999.3 Ų99.333%0.33152%0.522SS..EExtended strand (participates in β ladder)trans-98.5105.2169.8-179.60000109.1S2247 T2248 F2250 F2257S2247-C2259 CarbonylContact C-O 3.58Å; S2247-C2259 VanDerWaalsContact CA-O 3.29Å; S2247-C2259 WeakPolarHBondContact CA-O 3.11Å; T2248-C2259 PolarHBondContact N-O 2.64Å; T2248-C2259 PolarHBondContact O-N 3Å; F2250-C2259 HydrophobicContact CD2-CB 4.42Å; F2250-C2259 HydrophobicContact CE2-CB 3.96Å; F2257-C2259 PolarHBondContact O-N 2.61Å
2260E38.2Very low38.4Very low164 Ų16497.9 Ų97.977%0.76652%0.519SS*.  trans-61.2136.7179.4-65.6-170.5141.700112.6
2261G41.3Very low38.8Very low15 Ų1596.8 Ų96.816%0.15552%0.52CS..  trans-97.6138178.300000113.3N2244 S2247 R2263N2244-G2261 WeakPolarHBondContact O-CA 3.39Å; S2247-G2261 PolarHBondContact OG-N 2.61Å; G2261-R2263 VanDerWaalsContact C-N 3.32Å; G2261-R2263 PolarHBondContact O-N 3.04Å
2262L46Very low39.2Very low51 Ų5195.5 Ų95.527%0.26751%0.513SS..  trans-77.369.7-170.8-133172000113.6L2204 P2241 N2244 L2245 V2264L2204-L2262 HydrophobicContact CD1-CD1 4.28Å; P2241-L2262 HydrophobicContact CB-CD1 4.44Å; N2244-L2262 PolarHBondContact O-N 2.96Å; L2245-L2262 WeakPolarHBondContact CD2-O 3.06Å; L2262-V2264 PolarHBondContact O-N 2.82Å
2263R44.4Very low39.8Very low166 Ų16698.1 Ų98.163%0.62651%0.514SS*.  trans-63.7113.3-178.2-176.4174.6-178.8-103.2-5.6112.3G2261 E2265G2261-R2263 VanDerWaalsContact C-N 3.32Å; G2261-R2263 PolarHBondContact O-N 3.04Å; R2263-E2265 IonicContact CZ-OE1 3.46Å; R2263-E2265 IonicContact NH1-OE1 3.17Å; R2263-E2265 PolarHBondContact NH1-OE1 3.48Å; R2263-E2265 IonicContact NH1-OE2 3.98Å; R2263-E2265 IonicContact NH2-OE1 2.62Å; R2263-E2265 PolarHBondContact NH2-OE1 2.64Å
2264V47.3Very low39.1Very low47 Ų47100.9 Ų100.929%0.28551%0.506SS..  trans-94.6105.4173.3-176.20000110L2158 L2204 L2262 L2266L2158-V2264 HydrophobicContact CD2-CG1 4Å; L2204-V2264 HydrophobicContact CD2-CG2 4.05Å; L2262-V2264 PolarHBondContact O-N 2.82Å; V2264-L2266 HydrophobicContact CG1-CD2 3.88Å; V2264-L2266 HydrophobicContact CG1-CG 4.36Å
2265E41.1Very low39.6Very low121 Ų12195.2 Ų95.257%0.56547%0.472SS*.  trans-80.3151.3160.1-65.5-167.5134.900110.3R2263R2263-E2265 IonicContact CZ-OE1 3.46Å; R2263-E2265 IonicContact NH1-OE1 3.17Å; R2263-E2265 PolarHBondContact NH1-OE1 3.48Å; R2263-E2265 IonicContact NH1-OE2 3.98Å; R2263-E2265 IonicContact NH2-OE1 2.62Å; R2263-E2265 PolarHBondContact NH2-OE1 2.64Å
2266L38.6Very low40.3Very low136 Ų13696.8 Ų96.871%0.71247%0.472SS*.  trans-129.30-177.7-63.2176.8000110.6I270 L443 V2132 V2264I270-L2266 HydrophobicContact CD1-CD1 3.88Å; I270-L2266 HydrophobicContact CG1-CD1 4.27Å; L443-L2266 HydrophobicContact CD1-CD1 4.37Å; V2132-L2266 HydrophobicContact CG2-CD1 3.77Å; V2132-L2266 HydrophobicContact CG2-CD2 3.53Å; V2132-L2266 HydrophobicContact CG2-CG 4.33Å; V2264-L2266 HydrophobicContact CG1-CD2 3.88Å; V2264-L2266 HydrophobicContact CG1-CG 4.36Å

Retrieved 2,266 of 2,266 residues in 657.8 ms (Link to these results)

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