X1WDI1_DANRE Loading...

Supervillin c

AlphaFold DB , UniProt , Accession X1WDI1, Species DANRE (Danio rerio, Zebrafish), Gene svilc, Length 1,531 aa.

>X1WDI1_DANRE|X1WDI1|svilc
MENVSQESRAERIARYKAERRRELAERYGSQEEELPSKWSKREREGRGIRDSSFADTSVSGGINGGTGRNGRATLEERTAKISNGYKMDTSGENTKNRACVMGLSGTVDGESPPDSTSDTPLLHTHVSVGQLKNALLQQNSSPAASDRVVADGDVVALTLDLAGQPEGNRRRARRYLPGDPAASRKNSERFRTQPITAFEIQESCGTVDGENQDTSQMDAKTDDRAKMSVAAKMSLFKELEKTASPEASLFLKPRSSKSFHERRSRRNNDPRALTQPITFEETMMAASPQPGEAGEAEPEVEDDAGTKLSMSEKLALFNKLSQPILGAVGSPVRDGSPHEATERRRQKGTRYRTQPITVDEVNLLQKGPVQLPRFHLAPHLSDRQQAESTNLKPSEVRLSGLSSSSSELSSPHLKNTTNTNSQNAVHPIKGILKKSSSEGVVWRSDRERKDLNGHNLEQNGKERGETEVKEERSLSSVDHSPGHLSGAPWRQRTRKETSFGRTRRSAPNPEEHLYLSEVLQITEQSGDSAIADRLTNSRTKEEEEKQGATAKCNISRSSEPQDESVSAVESIPQTQCWEPVFSSVYSRSNSTPQYVMCFNERSLSYEAQEVSKTTQAQPHVTGRVKEASCEEEESPKLIFTETQTVCTTEVQESQMFGTEMDKEVMPAEPCSVPACPTTGGDTESDLSALCQTNTPILSSAVAEHRRSVRPSRRTQGSRNPLRALAAREDIQQDFMQPEENSEMENNTAMKNSNCTPADVTSSGKLSKPTVPYHKLMLIQVKGWRQVQVRMVEPVSHSLNSGDCFLLVTQSHCFLWTGKLSNTIEREKASEMASLIVTQRDLGCQATGVVHLDEGVNTDSQQAAEFWKLLGGQTPYKGSDSVEDDELYEKAISESNCIYRLQGDRLSPHEQAWASVPHHSLLNPTQTLLFDFGSELYLWHGKDVGPSERKLALQLAQQVWDGAYDYSNCRINPLDPSGGSAHIHKQGIGRPDWALFGRVFDQNETILFKEKFANSFEQTSMNKNHIVPSIQEEVKTASSLHQASAEQWSCDVRALFGGVCLSGVSQVILDGVDVRRGRDLVTFSDGRQADLSTVSVKVWLISEGGDCEVAPESLGQLNEGNTYAIRWTYSLTASGDESALAQERSAVFIWKGRHSNISGRDLSPALTNECSAQVFITEGEEPACFLQLFQGGMVIYRQQPSIDTEAWRLFCVRGDVPIEGSLLEVQCSCSSLRSRGSLVLLNSQQGTIYLWHGCKAHSKARQVAKHTVQRLTQTCPSELSLKTGSFMNIQEVEEGKEPSEYWNAIGQQDRKSYDCMLQDPGKFNFTPRLFHLSAQSGSFEGLELVSPCRANGVITAMPFLQDKLYTVPQPALFLLDNYLEVYLWQSCETSAPQRPLWDKEKKCAMETALQYCKERNPRRPPIAYLIDEGAEPLTFTNIFPSWEMTQGEEDCTVRKKLTLVQDALAALNKTQFPLQDLLKRPLPEGVDPQHLENYLSQHDFKAALGMTWNDYNSLSDLQKMDLKKSKGLYLA
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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
1M38.6Very low55.5Low242 Ų242139.2 Ų139.2100%1.19273%0.726SS**  0143.50-69.9163.7176.700107.4
2E32.5Very low57.6Low182 Ų182140.3 Ų140.385%0.8571%0.713SS**  trans38.8104.1163.7-59.3-173.5140.800120.6
3N37.1Very low59.2Low168 Ų168135.8 Ų135.890%0.89869%0.691SS**  trans7.8117.8144.8-56.8-17.4000119.4
4V43.8Very low60.7Low148 Ų148130.3 Ų130.390%0.89768%0.676SS**  trans-127.6131.6145.7-178.80000108.2
5S47.6Very low62.4Low113 Ų113132.6 Ų132.679%0.7967%0.672SS**  trans-90.3178-171.148.50000113.5E7S5-E7 PolarHBondContact O-N 2.97Å; S5-E7 VanDerWaalsContact O-N 3.14Å
6Q53Low64Low200 Ų200133.1 Ų133.194%0.93566%0.664SS**  trans-67104.8-162.8-64.1170.6-44.800114.3S8Q6-S8 PolarHBondContact O-N 3.38Å
7E63.7Low65Low56 Ų56133.4 Ų133.426%0.26266%0.661SS.*  trans-60.3131165.9-99.3-161.3139.400112S5 E11 R12 R15S5-E7 PolarHBondContact O-N 2.97Å; S5-E7 VanDerWaalsContact O-N 3.14Å; E7-E11 HydrophobicContact CB-CB 4.48Å; E7-E11 HydrophobicContact CG-CB 4.12Å; E7-R12 PolarHBondContact O-NH2 3.35Å; E7-R15 WeakPolarHBondContact OE1-CD 3.35Å; E7-R15 IonicContact OE1-CZ 3.49Å; E7-R15 IonicContact OE1-NE 2.94Å; E7-R15 IonicContact OE1-NH1 3.16Å; E7-R15 PolarHBondContact OE1-NH1 3.02Å
8S74.8Confident66.1Low51 Ų51129.3 Ų129.336%0.35765%0.651SS.*  trans-64.8160.6175.2700000112.3Q6 A10 E11 R12Q6-S8 PolarHBondContact O-N 3.38Å; S8-A10 PolarHBondContact O-N 2.81Å; S8-A10 PolarHBondContact OG-N 3.35Å; S8-E11 WeakPolarHBondContact CB-OE2 3.45Å; S8-E11 PolarHBondContact N-OE2 3.31Å; S8-E11 PolarHBondContact O-N 3.33Å; S8-E11 WeakPolarHBondContact OG-CG 3.37Å; S8-E11 PolarHBondContact OG-N 3.45Å; S8-E11 PolarHBondContact OG-OE2 2.93Å; S8-R12 PolarHBondContact O-N 3.01Å; S8-R12 VanDerWaalsContact O-N 3.13Å
9R70.8Confident67.1Low206 Ų206129.5 Ų129.578%0.77765%0.65SS**Hα-helixtrans-61.3-27.8171.4-175.7175.1179.1170.72111.8I13R9-I13 HydrophobicContact CG-CD1 4.08Å; R9-I13 WeakPolarHBondContact O-CD1 3.49Å; R9-I13 VanDerWaalsContact O-CG1 3.26Å; R9-I13 WeakPolarHBondContact O-CG1 3.21Å; R9-I13 PolarHBondContact O-N 3.3Å
10A71.1Confident67.8Low70 Ų70128.8 Ų128.858%0.57964%0.639SS**Hα-helixtrans-71.1-46176.700000111.5S8 I13 A14S8-A10 PolarHBondContact O-N 2.81Å; S8-A10 PolarHBondContact OG-N 3.35Å; A10-I13 PolarHBondContact O-N 3.14Å; A10-A14 WeakPolarHBondContact O-CB 3.4Å; A10-A14 PolarHBondContact O-N 3.06Å
11E78.2Confident68.2Low95 Ų95132 Ų13244%0.44464%0.644SS.*Hα-helixtrans-61.2-45.5176.2-76157.6116.400112.1E7 S8 I13 A14 R15E7-E11 HydrophobicContact CB-CB 4.48Å; E7-E11 HydrophobicContact CG-CB 4.12Å; S8-E11 WeakPolarHBondContact CB-OE2 3.45Å; S8-E11 PolarHBondContact N-OE2 3.31Å; S8-E11 PolarHBondContact O-N 3.33Å; S8-E11 WeakPolarHBondContact OG-CG 3.37Å; S8-E11 PolarHBondContact OG-N 3.45Å; S8-E11 PolarHBondContact OG-OE2 2.93Å; E11-I13 VanDerWaalsContact C-N 3.28Å; E11-I13 PolarHBondContact O-N 3Å; E11-A14 CarbonylContact O-C 3.56Å; E11-A14 WeakPolarHBondContact O-CA 3.44Å; E11-A14 WeakPolarHBondContact O-CB 3.37Å; E11-A14 PolarHBondContact O-N 3.13Å; E11-R15 PolarHBondContact O-N 3.24Å
12R79.8Confident70.2Confident152 Ų152128.8 Ų128.857%0.57462%0.619SS**Hα-helixtrans-59.4-36.9175.2-95.7174.8-75.9165.4-7.6113.4E7 S8 Y16E7-R12 PolarHBondContact O-NH2 3.35Å; S8-R12 PolarHBondContact O-N 3.01Å; S8-R12 VanDerWaalsContact O-N 3.13Å; R12-Y16 VanDerWaalsContact O-CB 3.26Å; R12-Y16 WeakPolarHBondContact O-CB 3.42Å; R12-Y16 PolarHBondContact O-N 2.82Å
13I78.1Confident72.4Confident83 Ų83122.6 Ų122.643%0.42659%0.59SS.*Hα-helixtrans-71.9-34.9174.3-68.3167.9000111.2R9 A10 E11 K17R9-I13 HydrophobicContact CG-CD1 4.08Å; R9-I13 WeakPolarHBondContact O-CD1 3.49Å; R9-I13 VanDerWaalsContact O-CG1 3.26Å; R9-I13 WeakPolarHBondContact O-CG1 3.21Å; R9-I13 PolarHBondContact O-N 3.3Å; A10-I13 PolarHBondContact O-N 3.14Å; E11-I13 VanDerWaalsContact C-N 3.28Å; E11-I13 PolarHBondContact O-N 3Å; I13-K17 HydrophobicContact CG2-CD 4.41Å; I13-K17 WeakPolarHBondContact O-CB 3.32Å; I13-K17 WeakPolarHBondContact O-CG 3.24Å; I13-K17 PolarHBondContact O-N 3.16Å
14A80.2Confident73.8Confident58 Ų58118.8 Ų118.848%0.47957%0.569SS.*Hα-helixtrans-69.7-46.6176.400000112A10 E11 K17 A18A10-A14 WeakPolarHBondContact O-CB 3.4Å; A10-A14 PolarHBondContact O-N 3.06Å; E11-A14 CarbonylContact O-C 3.56Å; E11-A14 WeakPolarHBondContact O-CA 3.44Å; E11-A14 WeakPolarHBondContact O-CB 3.37Å; E11-A14 PolarHBondContact O-N 3.13Å; A14-K17 PolarHBondContact O-N 3.05Å; A14-A18 WeakPolarHBondContact O-CB 3.47Å; A14-A18 PolarHBondContact O-N 3.47Å
15R86.1Confident75.1Confident165 Ų165114.4 Ų114.462%0.62355%0.548SS*.Hα-helixtrans-55.2-54.7170.6-95.6-171.4155.3109.4-3.6110.5E7 E11 K17 A18 E19E7-R15 WeakPolarHBondContact OE1-CD 3.35Å; E7-R15 IonicContact OE1-CZ 3.49Å; E7-R15 IonicContact OE1-NE 2.94Å; E7-R15 IonicContact OE1-NH1 3.16Å; E7-R15 PolarHBondContact OE1-NH1 3.02Å; E11-R15 PolarHBondContact O-N 3.24Å; R15-K17 VanDerWaalsContact C-N 3.31Å; R15-K17 PolarHBondContact O-N 3.35Å; R15-A18 PolarHBondContact O-N 3.47Å; R15-A18 VanDerWaalsContact O-N 3.07Å; R15-E19 VanDerWaalsContact O-CB 3.23Å; R15-E19 WeakPolarHBondContact O-CB 3.1Å; R15-E19 PolarHBondContact O-N 3.24Å
16Y88.1Confident76.3Confident140 Ų140115.4 Ų115.455%0.54954%0.541SS..Hα-helixtrans-56.7-41.3178.4-177.2-100.2000112.7R12 R20R12-Y16 VanDerWaalsContact O-CB 3.26Å; R12-Y16 WeakPolarHBondContact O-CB 3.42Å; R12-Y16 PolarHBondContact O-N 2.82Å; Y16-R20 WeakPolarHBondContact O-CB 3.49Å; Y16-R20 PolarHBondContact O-N 2.71Å
17K82.5Confident76.9Confident138 Ų138114 Ų11460%0.653%0.527SS*.Hα-helixtrans-68.9-36.1175.8-79-174.5173.9-167.70113.7I13 A14 R15 R21I13-K17 HydrophobicContact CG2-CD 4.41Å; I13-K17 WeakPolarHBondContact O-CB 3.32Å; I13-K17 WeakPolarHBondContact O-CG 3.24Å; I13-K17 PolarHBondContact O-N 3.16Å; A14-K17 PolarHBondContact O-N 3.05Å; R15-K17 VanDerWaalsContact C-N 3.31Å; R15-K17 PolarHBondContact O-N 3.35Å; K17-R21 WeakPolarHBondContact O-CB 3.37Å; K17-R21 VanDerWaalsContact O-CG 3.29Å; K17-R21 WeakPolarHBondContact O-CG 3.49Å; K17-R21 PolarHBondContact O-N 2.98Å; K17-R21 VanDerWaalsContact O-N 3.1Å
18A84.3Confident76.6Confident60 Ų60120.3 Ų120.350%0.49655%0.55SS..Hα-helixtrans-71.3-42.3176.600000111.4A14 R15 R21 R22A14-A18 WeakPolarHBondContact O-CB 3.47Å; A14-A18 PolarHBondContact O-N 3.47Å; R15-A18 PolarHBondContact O-N 3.47Å; R15-A18 VanDerWaalsContact O-N 3.07Å; A18-R21 PolarHBondContact O-N 2.94Å; A18-R22 PolarHBondContact O-N 3.32Å
19E85Confident75.2Confident133 Ų133120.5 Ų120.562%0.62156%0.56SS**Hα-helixtrans-65.3-45.3176.7-168.5161.5-122.800111.1R15 R21 R22 E23R15-E19 VanDerWaalsContact O-CB 3.23Å; R15-E19 WeakPolarHBondContact O-CB 3.1Å; R15-E19 PolarHBondContact O-N 3.24Å; E19-R21 VanDerWaalsContact C-N 3.31Å; E19-R21 PolarHBondContact O-N 2.85Å; E19-R22 PolarHBondContact O-N 3.33Å; E19-E23 WeakPolarHBondContact O-CB 3.34Å; E19-E23 PolarHBondContact O-N 2.85Å
20R80.9Confident73.4Confident116 Ų116115.7 Ų115.744%0.43856%0.558SS.*Hα-helixtrans-66.5-29.4174.6-153.965.3161.7167.6-0.1113Y16 E23 L24Y16-R20 WeakPolarHBondContact O-CB 3.49Å; Y16-R20 PolarHBondContact O-N 2.71Å; R20-E23 VanDerWaalsContact CD-OE2 3.29Å; R20-E23 WeakPolarHBondContact CD-OE2 3.42Å; R20-E23 IonicContact CZ-OE2 3.44Å; R20-E23 IonicContact NE-OE2 3.44Å; R20-E23 VanDerWaalsContact NH1-CD 3.28Å; R20-E23 IonicContact NH1-OE1 3.24Å; R20-E23 PolarHBondContact NH1-OE1 2.83Å; R20-E23 IonicContact NH1-OE2 3.59Å; R20-E23 PolarHBondContact NH1-OE2 3.42Å; R20-L24 WeakPolarHBondContact O-CB 3.43Å; R20-L24 VanDerWaalsContact O-CG 3.22Å; R20-L24 WeakPolarHBondContact O-CG 3.33Å; R20-L24 PolarHBondContact O-N 3.06Å
21R76.2Confident71.8Confident197 Ų197121.7 Ų121.774%0.74357%0.573SS**Hα-helixtrans-70.1-41.9170.3-82.7174.9171.7-179.1-5.4112.1K17 A18 E19 L24 A25K17-R21 WeakPolarHBondContact O-CB 3.37Å; K17-R21 VanDerWaalsContact O-CG 3.29Å; K17-R21 WeakPolarHBondContact O-CG 3.49Å; K17-R21 PolarHBondContact O-N 2.98Å; K17-R21 VanDerWaalsContact O-N 3.1Å; A18-R21 PolarHBondContact O-N 2.94Å; E19-R21 VanDerWaalsContact C-N 3.31Å; E19-R21 PolarHBondContact O-N 2.85Å; R21-L24 PolarHBondContact O-N 3.09Å; R21-A25 WeakPolarHBondContact O-CB 3.21Å; R21-A25 PolarHBondContact O-N 2.97Å
22R80.4Confident69.7Low174 Ų174126.4 Ų126.466%0.65760%0.596SS**Hα-helixtrans-63.1-46.3173.5174.4177.1-77.9-178.6-6.4110.9A18 E19 L24 A25 E26A18-R22 PolarHBondContact O-N 3.32Å; E19-R22 PolarHBondContact O-N 3.33Å; R22-L24 VanDerWaalsContact C-N 3.31Å; R22-L24 PolarHBondContact O-N 3.17Å; R22-A25 CarbonylContact O-C 3.59Å; R22-A25 WeakPolarHBondContact O-CB 3.46Å; R22-A25 PolarHBondContact O-N 2.86Å; R22-A25 VanDerWaalsContact O-N 3.1Å; R22-E26 VanDerWaalsContact CD-OE1 3.24Å; R22-E26 WeakPolarHBondContact CD-OE1 3.44Å; R22-E26 VanDerWaalsContact CG-CD 3.48Å; R22-E26 HydrophobicContact CG-CG 4.23Å; R22-E26 WeakPolarHBondContact CG-OE1 3.46Å; R22-E26 WeakPolarHBondContact O-CB 3.35Å; R22-E26 WeakPolarHBondContact O-CG 3.43Å; R22-E26 PolarHBondContact O-N 3.11Å
23E78.6Confident67.5Low51 Ų51128.5 Ų128.524%0.23861%0.612CS.*Hα-helixtrans-63-35.2177.9-166.7-167.1164.600112.3E19 R20 R27E19-E23 WeakPolarHBondContact O-CB 3.34Å; E19-E23 PolarHBondContact O-N 2.85Å; R20-E23 VanDerWaalsContact CD-OE2 3.29Å; R20-E23 WeakPolarHBondContact CD-OE2 3.42Å; R20-E23 IonicContact CZ-OE2 3.44Å; R20-E23 IonicContact NE-OE2 3.44Å; R20-E23 VanDerWaalsContact NH1-CD 3.28Å; R20-E23 IonicContact NH1-OE1 3.24Å; R20-E23 PolarHBondContact NH1-OE1 2.83Å; R20-E23 IonicContact NH1-OE2 3.59Å; R20-E23 PolarHBondContact NH1-OE2 3.42Å; E23-R27 VanDerWaalsContact O-CB 3.28Å; E23-R27 WeakPolarHBondContact O-CB 3.29Å; E23-R27 WeakPolarHBondContact O-CG 3.38Å; E23-R27 PolarHBondContact O-N 2.84Å; E23-R27 IonicContact OE1-CZ 2.69Å; E23-R27 VanDerWaalsContact OE1-CZ 3.27Å; E23-R27 IonicContact OE1-NE 3.36Å; E23-R27 PolarHBondContact OE1-NE 3.31Å; E23-R27 IonicContact OE1-NH2 2.74Å; E23-R27 PolarHBondContact OE1-NH2 3.33Å
24L66.2Low65.4Low88 Ų88132.9 Ų132.946%0.46163%0.631SS.*Hα-helixtrans-69.6-40171.6-74.5170.3000111.9R20 R21 R22 E26 R27 Y28R20-L24 WeakPolarHBondContact O-CB 3.43Å; R20-L24 VanDerWaalsContact O-CG 3.22Å; R20-L24 WeakPolarHBondContact O-CG 3.33Å; R20-L24 PolarHBondContact O-N 3.06Å; R21-L24 PolarHBondContact O-N 3.09Å; R22-L24 VanDerWaalsContact C-N 3.31Å; R22-L24 PolarHBondContact O-N 3.17Å; L24-E26 VanDerWaalsContact C-N 3.34Å; L24-R27 PolarHBondContact O-N 2.88Å; L24-Y28 HydrophobicContact CD2-CD2 3.92Å; L24-Y28 HydrophobicContact CD2-CE2 3.7Å; L24-Y28 WeakPolarHBondContact O-CB 3.36Å; L24-Y28 WeakPolarHBondContact O-CD2 3.49Å; L24-Y28 PolarHBondContact O-N 2.95Å
25A70.7Confident63.2Low57 Ų57137.5 Ų137.547%0.47165%0.646SS.*Hα-helixtrans-64.8-36.6173.500000112.3R21 R22 G29R21-A25 WeakPolarHBondContact O-CB 3.21Å; R21-A25 PolarHBondContact O-N 2.97Å; R22-A25 CarbonylContact O-C 3.59Å; R22-A25 WeakPolarHBondContact O-CB 3.46Å; R22-A25 PolarHBondContact O-N 2.86Å; R22-A25 VanDerWaalsContact O-N 3.1Å; A25-G29 WeakPolarHBondContact O-CA 3.12Å; A25-G29 PolarHBondContact O-N 3.2Å
26E73.5Confident60.6Low134 Ų134135.3 Ų135.363%0.62665%0.654SS**Hα-helixtrans-75.6-25.3176.5-71.8166.5-179.600112.8R22 L24R22-E26 VanDerWaalsContact CD-OE1 3.24Å; R22-E26 WeakPolarHBondContact CD-OE1 3.44Å; R22-E26 VanDerWaalsContact CG-CD 3.48Å; R22-E26 HydrophobicContact CG-CG 4.23Å; R22-E26 WeakPolarHBondContact CG-OE1 3.46Å; R22-E26 WeakPolarHBondContact O-CB 3.35Å; R22-E26 WeakPolarHBondContact O-CG 3.43Å; R22-E26 PolarHBondContact O-N 3.11Å; L24-E26 VanDerWaalsContact C-N 3.34Å
27R64.9Low57.8Low169 Ų169133.6 Ų133.664%0.63866%0.662SS**Hα-helixtrans-87.3-26.5175.5-75.1173.9-175-104.26.1114.5E23 L24E23-R27 VanDerWaalsContact O-CB 3.28Å; E23-R27 WeakPolarHBondContact O-CB 3.29Å; E23-R27 WeakPolarHBondContact O-CG 3.38Å; E23-R27 PolarHBondContact O-N 2.84Å; E23-R27 IonicContact OE1-CZ 2.69Å; E23-R27 VanDerWaalsContact OE1-CZ 3.27Å; E23-R27 IonicContact OE1-NE 3.36Å; E23-R27 PolarHBondContact OE1-NE 3.31Å; E23-R27 IonicContact OE1-NH2 2.74Å; E23-R27 PolarHBondContact OE1-NH2 3.33Å; L24-R27 PolarHBondContact O-N 2.88Å
28Y58.6Low55.3Low190 Ų190135.2 Ų135.275%0.74567%0.669SS**Hα-helixtrans-129.1-12.8-171.3-63.3-77.9000114.9L24L24-Y28 HydrophobicContact CD2-CD2 3.92Å; L24-Y28 HydrophobicContact CD2-CE2 3.7Å; L24-Y28 WeakPolarHBondContact O-CB 3.36Å; L24-Y28 WeakPolarHBondContact O-CD2 3.49Å; L24-Y28 PolarHBondContact O-N 2.95Å
29G44.1Very low52.7Low55 Ų55143.6 Ų143.657%0.56769%0.688SS**SBendtrans-101.750.7-176.200000113.7A25A25-G29 WeakPolarHBondContact O-CA 3.12Å; A25-G29 PolarHBondContact O-N 3.2Å
30S32.9Very low50Low105 Ų105142.4 Ų142.473%0.73469%0.694SS**  trans-152.268.1179.1-68.10000112.6
31Q38.3Very low47.5Very low195 Ų195145.2 Ų145.291%0.91171%0.71SS**  trans-148.939.1160.8-148.5172.21.100113.8
32E34.2Very low45.2Very low195 Ų195145 Ų14591%0.91171%0.709SS**  trans-128.193.9164.9-74.7-168.5147.100110.6
33E33.5Very low42.6Very low195 Ų195141.9 Ų141.991%0.91170%0.702SS**  trans-130.4147.3154.1-65.2-173.2127.900105
34E33.6Very low40.2Very low176 Ų176148 Ų14882%0.82272%0.723SS**  cis-133.4-167.522-56.8177.69300113
35L33.8Very low38.4Very low155 Ų155151.5 Ų151.581%0.81274%0.737SS**  trans89.6137.7166.6-54.9-171.8000116.2
36P31.4Very low36.4Very low119 Ų119152.1 Ų152.177%0.77375%0.749SS**  -130.3165-103.935.2-18.7000117.5
37S30.8Very low34.3Very low104 Ų104157.6 Ų157.673%0.72776%0.764SS**  trans-49.8148.6-175.964.90000117.6
38K29.7Very low32.7Very low172 Ų172153 Ų15375%0.74877%0.769SS**  -170.4169.2108.6-102.5167.6-174.4173.40113.3
39W30Very low31.5Very low236 Ų236151.4 Ų151.489%0.89477%0.772SS**  trans71.366.6165.3-54.1118000119.1
40S27.9Very low30.9Very low108 Ų108159.1 Ų159.176%0.75578%0.784SS**  trans-75.5162.6143.660.30000111.5
41K29.3Very low30.9Very low175 Ų175159.7 Ų159.776%0.76178%0.778SS**  trans112.5101.5140.3-160-178.2178.7-174.50119.6
42R26.5Very low30.7Very low192 Ų192156 Ų15673%0.72577%0.774SS**  trans83.7134.2133.8-80.9-174.9-179.8-1357.5123.6
43E26.7Very low30.6Very low109 Ų109150.6 Ų150.651%0.50976%0.757SS.*  trans60.4111.5130.4-73.9-172.289.800121.5
44R27.5Very low30.6Very low178 Ų178150.5 Ų150.567%0.67276%0.755SS**  108.3122.2100.1179.6-170.3-70.8-98.67.4117.9
45E28Very low30.5Very low162 Ų162146 Ų14676%0.75775%0.747SS**  trans58.5139.4153.8-65.1160.9-136.500119.6
46G29.1Very low30.4Very low70 Ų70145.4 Ų145.472%0.72275%0.745SS**  trans13962.8144.400000120.7
47R29.3Very low30.5Very low250 Ų250144.6 Ų144.694%0.94374%0.738SS**  trans39.995.1145.7-67.5-179.6-99.2-114.4-3.4119.5
48G31.1Very low30.5Very low72 Ų72144.6 Ų144.674%0.74274%0.738SS**  93.3159.710100000122.2
49I34.2Very low30.5Very low157 Ų157142.1 Ų142.181%0.80574%0.737SS**  trans80.8102.8153.3-57.6176.9000118
50R31.2Very low30.5Very low217 Ų217136.4 Ų136.482%0.81973%0.733SS**  trans64.8156.9141.2-65.7-175.2163.2-179.2-2.5119.3
51D33.1Very low30.6Very low117 Ų117135 Ų13563%0.62674%0.736SS**  cis-162.7148.7-16.6-98-23000107.2
52S34Very low30.6Very low116 Ų116130.2 Ų130.281%0.81174%0.736SS**  trans63.5158.7152.374.30000119
53S32.7Very low31Very low82 Ų82128.2 Ų128.257%0.57374%0.738SS**  cis-178.3164.8-19.2490000110.1
54F31.6Very low31.1Very low194 Ų194130.6 Ų130.685%0.85175%0.754SS**  trans69.3130.3172.8-62.2-76.3000115.2
55A33.1Very low31.3Very low81 Ų81126 Ų12667%0.66976%0.763SS**  76.2148.663.400000112.6
56D31.6Very low31.4Very low142 Ų142121.5 Ų121.576%0.75976%0.759SS**  cis-162.6163.919.8-154.333.8000114
57T32.6Very low31.3Very low103 Ų103125.6 Ų125.663%0.63277%0.77SS**  trans5796.8139.7-690000123.2
58S30.9Very low31.3Very low103 Ų103117.3 Ų117.372%0.7276%0.763SS**  91.1169.4114.684.10000126.1
59V30.8Very low31.2Very low120 Ų120124.5 Ų124.573%0.72777%0.768SS**  trans90.390.9147.7169.20000122.2
60S29.6Very low30.8Very low116 Ų116124.1 Ų124.181%0.81177%0.768SS**  68.6159.8123.489.90000124.5
61G29.7Very low30.7Very low80 Ų80117.3 Ų117.383%0.82577%0.765SS**  trans92.7133.9172.600000112.8
62G30Very low30.4Very low73 Ų73123.1 Ų123.175%0.75378%0.778SS**  cis109.415020.900000110
63I33.9Very low30.1Very low151 Ų151121.5 Ų121.577%0.77477%0.772SS**  cis-165.8157.84.5-110.1163.8000107.9
64N29.9Very low29.9Very low158 Ų158123.5 Ų123.585%0.84578%0.781SS**  trans64.5129.7163.2-72.3-16.7000122.9
65G30.3Very low30Very low83 Ų83120.5 Ų120.586%0.85677%0.773SS**  103.7134.7119.200000118.6
66G30.4Very low29.9Very low66 Ų66123.9 Ų123.968%0.6878%0.775SS**  cis163162.6-9.500000114.9
67T28Very low29.9Very low156 Ų156123.2 Ų123.296%0.95777%0.767SS**  trans52.1120.7153.457.10000121.5
68G29.5Very low29.7Very low77 Ų77127.8 Ų127.879%0.79477%0.773SS**  trans148.788.1163.300000113
69R27.9Very low29.5Very low223 Ų223128.6 Ų128.684%0.84277%0.774SS**  cis86.4118.137-156.3-163.7178.9173.54.3113.7
70N26.8Very low29.3Very low149 Ų149126.3 Ų126.380%0.79777%0.767SS**  trans84.7151.8166.5-51.6-40.9000119.6
71G27.4Very low29.4Very low74 Ų74130.1 Ų130.176%0.76377%0.769SS**  trans98.974.6163.200000115.4
72R27.5Very low29.3Very low239 Ų239134 Ų13490%0.90277%0.769SS**  cis74.1121.449.5-173.7-174.7175.1-176.4-0.3114.5
73A28.1Very low29.1Very low82 Ų82134.4 Ų134.468%0.67876%0.76SS**  trans68.6147.716500000115.2
74T29.4Very low28.6Very low124 Ų124135.1 Ų135.176%0.76177%0.766SS**  cis-150.9164.4-7.11.50000106.6
75L32.6Very low28.5Very low130 Ų130131 Ų13168%0.68176%0.761SS**  -171.712466.8-161.367.1000109.5
76E32.1Very low28.3Very low153 Ų153137.1 Ų137.172%0.71576%0.759SS**  trans61144136.9-64.1173.5-178.800121.8
77E29.9Very low28.3Very low128 Ų128141.6 Ų141.660%0.59876%0.76SS**  cis-146.1140-16.4-92.5-128.1124.500106.1
78R29.3Very low28.3Very low199 Ų199141.8 Ų141.875%0.75175%0.752SS**  61.1146.470.8-68.6169.8152.3-175.1-2.8113.3
79T26.8Very low28.3Very low120 Ų120142.8 Ų142.874%0.73674%0.74SS**  cis-160.3149.1-6.19.60000113
80A26.2Very low28.4Very low71 Ų71138.1 Ų138.159%0.58774%0.736SS**  trans29.1129.5130.100000123.3
81K31.8Very low28.4Very low197 Ų197135.9 Ų135.986%0.85773%0.732SS**  trans70.3175.3131.4-65.6173.6-177.3-178.70118.4
82I26.7Very low28.4Very low160 Ų160135.8 Ų135.882%0.82173%0.731SS**  trans75.1130.9174.2-50.1169.4000112.1
83S26Very low28.4Very low82 Ų82132 Ų13257%0.57372%0.723SS**  cis160.3143.9-30.957.20000106.4
84N24.9Very low28.4Very low166 Ų166133.4 Ų133.489%0.88872%0.719SS**  trans66.5150.8160.9-50.6-19.6000118.1
85G27.1Very low28.2Very low72 Ų72132 Ų13274%0.74271%0.711SS**  trans108.984.3-178.500000111.9
86Y26.9Very low28Very low211 Ų211134 Ų13483%0.82771%0.714SS**  cis77.598.735.9-129.4-87.8000114.2
87K29.3Very low27.7Very low161 Ų161133.7 Ų133.770%0.772%0.717SS**  trans62.9157.2160.8-67.3-166171.3-154.40116.5
88M28.5Very low27.6Very low159 Ų159138.4 Ų138.478%0.78373%0.73SS**  cis-137.1131.132.8-71.917575.500110.4
89D29.7Very low27.5Very low99 Ų99133 Ų13353%0.52973%0.728SS.*  88.2149.592.6-58.9-16.4000111
90T28.9Very low27.6Very low124 Ų124132.5 Ų132.576%0.76173%0.728SS**  cis-146.8169.323.1-24.30000112.4
91S27.5Very low27.7Very low103 Ų103134.7 Ų134.772%0.7273%0.734SS**  trans-27.2153.9161.554.50000116.9
92G27.7Very low27.6Very low72 Ų72133.2 Ų133.274%0.74273%0.732SS**  cis170.3-163.49.500000106.8
93E27.1Very low27.8Very low159 Ų159128.7 Ų128.774%0.74373%0.725SS**  cis178.2152.4-3.1-124.4-162.5126.600103.8
94N27.1Very low28.3Very low111 Ų111132.2 Ų132.259%0.59474%0.736SS**  trans68.199.2144.6-63.8-24.9000123.2
95T26.7Very low28.7Very low94 Ų94129.5 Ų129.558%0.57773%0.731SS**  85.9121.2110.961.10000122.6
96K27.9Very low29Very low174 Ų174129.2 Ų129.276%0.75773%0.727SS**  68.5148.4120.9-61.1168.3-172.4166.70120.2
97N26.9Very low29.2Very low146 Ų146125.6 Ų125.678%0.78173%0.728SS**  trans92.7139.5158.5-50.3-57.6000115.1
98R26.2Very low29.5Very low226 Ų226123.7 Ų123.785%0.85373%0.729SS**  cis150128.3-18.9159.8179169.71582.6106.4
99A28.5Very low29.7Very low87 Ų87123.3 Ų123.372%0.71973%0.73SS**  trans65.3164.317200000114.4
100C27.9Very low29.7Very low108 Ų108122.1 Ų122.173%0.7374%0.741SS**  cis-140.2146.712.7-113.70000109.1
101V28.7Very low29.8Very low117 Ų117125.2 Ų125.271%0.70975%0.747SS**  63136.583173.90000112.7
102M29.6Very low29.9Very low166 Ų166125.2 Ų125.282%0.81875%0.747SS**  cis-117.8169.412.7-96.1-55.6-17500111.4
103G31.8Very low30.7Very low66 Ų66127.4 Ų127.468%0.6875%0.748SS**  99.8145.851.600000109.2
104L36.3Very low31.3Very low155 Ų155125 Ų12581%0.81275%0.746SS**  cis-158.6-17630.6-67.7165.7000109.5
105S32.6Very low31.5Very low110 Ų110126.9 Ų126.977%0.76976%0.756SS**  -178.1139.7-64.759.10000111.5
106G33.2Very low31.9Very low65 Ų65126.7 Ų126.767%0.6776%0.759SS**  trans130.5117.8165.300000113.8
107T32.1Very low32Very low136 Ų136124.6 Ų124.683%0.83476%0.761SS**  cis88.4121.220.577.60000117.6
108V35.1Very low32.2Very low120 Ų120122.5 Ų122.573%0.72776%0.757SS**  175.9118.8121.7150.20000111.4
109D32.4Very low32.3Very low152 Ų152119.7 Ų119.781%0.81376%0.76SS**  trans30.5148.1136.8-33.9-33.5000122.2
110G30.2Very low32.5Very low73 Ų73121.3 Ų121.375%0.75376%0.76SS**  cis169.5-177.2-0.400000115.2
111E30.7Very low32.6Very low189 Ų189122.4 Ų122.488%0.88377%0.767SS**  trans71.683.3164.3-61.3-164.7122.500122.8
112S29.4Very low32.8Very low103 Ų103123.7 Ų123.772%0.7277%0.768SS**  63.3119.512358.90000124.1
113P44.6Very low32.7Very low119 Ų119123.5 Ų123.577%0.77377%0.77SS**  trans-89.4-174.7152.339.6-34.4000111.9
114P39Very low32.7Very low108 Ų108126 Ų12670%0.70176%0.764SS**  -154.7-170.2102.843.5-25.7000116.8
115D32.7Very low32.3Very low150 Ų150124.5 Ų124.580%0.80276%0.761SS**  trans69.9133.1158.5-63.3-11.3000122.8
116S34Very low32.5Very low91 Ų91126.2 Ų126.264%0.63676%0.757SS**  cis-167168.9-21.558.20000111.3
117T30.9Very low32.6Very low130 Ų130127 Ų12780%0.79875%0.748SS**  trans70.3144.5170.571.10000118.7
118S30.5Very low32.8Very low101 Ų101123.3 Ų123.371%0.70673%0.728SS**  cis-172.2116.9-3048.30000109.7
119D28.4Very low33.2Very low168 Ų168123 Ų12390%0.89873%0.726SS**  trans-141.8146170.1-92.6-51.8000111
120T32.9Very low33.7Very low120 Ų120118 Ų11874%0.73671%0.711SS**  trans-139.9120.4-178.749.80000111.3
121P29.6Very low34.5Very low132 Ų132119.5 Ų119.586%0.85770%0.698SS**  trans-75.1133173.230.9-33000110.6
122L31.9Very low35Very low143 Ų143115.3 Ų115.375%0.74968%0.681SS**  trans-115.8115.9-176.3-116.2166.7000111.9H124L122-H124 PolarHBondContact O-N 3.12Å; L122-H124 PolarHBondContact O-ND1 3.27Å; L122-H124 VanDerWaalsContact O-ND1 3.11Å
123L28.8Very low35.6Very low163 Ų163117.3 Ų117.385%0.85368%0.677SS**  trans-62.1122.8-176.6-63.1163.4000111.5
124H30.6Very low35.6Very low119 Ų119116.8 Ų116.855%0.55167%0.668SS**  trans-98.996-177.3-9476000113.2L122 H126L122-H124 PolarHBondContact O-N 3.12Å; L122-H124 PolarHBondContact O-ND1 3.27Å; L122-H124 VanDerWaalsContact O-ND1 3.11Å; H124-H126 AromaticContact CD2-CE1 3.67Å; H124-H126 AromaticContact CD2-NE2 3.65Å; H124-H126 AromaticContact CG-NE2 3.95Å
125T29.6Very low35.8Very low123 Ų123114.1 Ų114.176%0.75566%0.655SS**  trans-93.289.4171.155.80000110.5V127T125-V127 PolarHBondContact O-N 3.48Å
126H36.3Very low36.1Very low145 Ų145113.5 Ų113.567%0.67165%0.651SS**  trans-74.287.4-178.4-66.6-86.4000112.7H124 E883H124-H126 AromaticContact CD2-CE1 3.67Å; H124-H126 AromaticContact CD2-NE2 3.65Å; H124-H126 AromaticContact CG-NE2 3.95Å; H126-E883 IonicContact CE1-OE1 3.95Å; H126-E883 PolarHBondContact CE1-OE1 3.17Å
127V35.5Very low36.5Very low81 Ų81115.9 Ų115.949%0.49166%0.656SS.*  trans-78.3141.4163.9178.20000109.4T125 V129 Q131 L132T125-V127 PolarHBondContact O-N 3.48Å; V127-V129 PolarHBondContact O-N 2.99Å; V127-Q131 HydrophobicContact CG1-CB 4.32Å; V127-L132 HydrophobicContact CB-CD1 4.33Å; V127-L132 HydrophobicContact CG1-CD1 4.45Å; V127-L132 HydrophobicContact CG1-CG 4.39Å
128S36.3Very low37Very low59 Ų59117.7 Ų117.741%0.41366%0.655SS.*  trans-63.4138.6-176.380.70000112.5G130 Q131 L132S128-G130 PolarHBondContact O-N 3.37Å; S128-G130 VanDerWaalsContact O-N 3.13Å; S128-Q131 PolarHBondContact O-N 2.66Å; S128-Q131 VanDerWaalsContact O-N 3.1Å; S128-Q131 VanDerWaalsContact OG-CD 3.23Å; S128-Q131 WeakPolarHBondContact OG-CG 3.34Å; S128-Q131 PolarHBondContact OG-N 2.6Å; S128-Q131 PolarHBondContact OG-OE1 2.67Å; S128-L132 PolarHBondContact O-N 2.95Å
129V43Very low37.3Very low113 Ų113120 Ų12069%0.68566%0.655SS**Hα-helixtrans-63.7-21-178.5-178.50000112.2V127 K133V127-V129 PolarHBondContact O-N 2.99Å; V129-K133 PolarHBondContact O-N 3.25Å
130G42.9Very low37.3Very low48 Ų48119 Ų11950%0.49565%0.649SS.*Hα-helixtrans-66.8-47.9171.500000112.9S128 K133 N134S128-G130 PolarHBondContact O-N 3.37Å; S128-G130 VanDerWaalsContact O-N 3.13Å; G130-K133 PolarHBondContact O-N 2.91Å; G130-N134 PolarHBondContact O-N 3.06Å
131Q47.6Very low37.1Very low105 Ų105119.2 Ų119.249%0.49166%0.656SS.*Hα-helixtrans-65.1-42179-72159.5-39.100111.6V127 S128 K133 N134 A135V127-Q131 HydrophobicContact CG1-CB 4.32Å; S128-Q131 PolarHBondContact O-N 2.66Å; S128-Q131 VanDerWaalsContact O-N 3.1Å; S128-Q131 VanDerWaalsContact OG-CD 3.23Å; S128-Q131 WeakPolarHBondContact OG-CG 3.34Å; S128-Q131 PolarHBondContact OG-N 2.6Å; S128-Q131 PolarHBondContact OG-OE1 2.67Å; Q131-K133 VanDerWaalsContact C-N 3.3Å; Q131-K133 PolarHBondContact O-N 2.89Å; Q131-N134 PolarHBondContact O-N 2.99Å; Q131-A135 PolarHBondContact O-N 2.84Å
132L41.4Very low37Very low101 Ų101118.5 Ų118.553%0.52965%0.654SS.*Hα-helixtrans-62.5-33.3175.1-87.8161000113.2V127 S128 L136V127-L132 HydrophobicContact CB-CD1 4.33Å; V127-L132 HydrophobicContact CG1-CD1 4.45Å; V127-L132 HydrophobicContact CG1-CG 4.39Å; S128-L132 PolarHBondContact O-N 2.95Å; L132-L136 WeakPolarHBondContact O-CB 3.44Å; L132-L136 PolarHBondContact O-N 3.46Å; L132-L136 VanDerWaalsContact O-N 3.1Å
133K41.3Very low37.1Very low145 Ų145117 Ų11763%0.6365%0.653SS**Hα-helixtrans-67.4-40.6176.7-115.2175.4179.3174.70112.9V129 G130 Q131 L137V129-K133 PolarHBondContact O-N 3.25Å; G130-K133 PolarHBondContact O-N 2.91Å; Q131-K133 VanDerWaalsContact C-N 3.3Å; Q131-K133 PolarHBondContact O-N 2.89Å; K133-L137 PolarHBondContact O-N 3.14Å
134N45Very low37.2Very low107 Ų107113.5 Ų113.557%0.57265%0.647SS**Hα-helixtrans-70.9-41.5176.8-76.9-9.8000111.7G130 Q131 L136 L137 Q138G130-N134 PolarHBondContact O-N 3.06Å; Q131-N134 PolarHBondContact O-N 2.99Å; N134-L136 PolarHBondContact O-N 2.89Å; N134-L137 PolarHBondContact O-N 2.89Å; N134-Q138 WeakPolarHBondContact O-CG 3.22Å; N134-Q138 PolarHBondContact O-N 3.19Å
135A42.1Very low37.3Very low53 Ų53112.6 Ų112.644%0.43866%0.661SS.*Hα-helixtrans-60.1-41.917700000112.9Q131Q131-A135 PolarHBondContact O-N 2.84Å
136L40.4Very low37.4Very low137 Ų137112 Ų11272%0.71766%0.661SS**Hα-helixtrans-75.9-22.7-176.8-15272.8000113.6L132 N134L132-L136 WeakPolarHBondContact O-CB 3.44Å; L132-L136 PolarHBondContact O-N 3.46Å; L132-L136 VanDerWaalsContact O-N 3.1Å; N134-L136 PolarHBondContact O-N 2.89Å
137L40.6Very low37.3Very low141 Ų141112.8 Ų112.874%0.73867%0.671SS**Hα-helixtrans-85.6-18.6178.1-95.7153.3000114.1K133 N134K133-L137 PolarHBondContact O-N 3.14Å; N134-L137 PolarHBondContact O-N 2.89Å
138Q42.3Very low37Very low167 Ų167119.6 Ų119.678%0.7869%0.688SS**SBendtrans-88.2-9.7179.6-69.6-176.15.400114.5N134N134-Q138 WeakPolarHBondContact O-CG 3.22Å; N134-Q138 PolarHBondContact O-N 3.19Å
139Q36.5Very low36.7Very low151 Ų151124 Ų12471%0.70671%0.712SS**SBendtrans-90.4-4.7-172.2-73.4-167.1-12.200116.7
140N28.4Very low36Very low145 Ų145124.8 Ų124.878%0.77572%0.716SS**SBendtrans-145.576.2-171.7-81.9-65.6000116.8
141S29.3Very low35.4Very low125 Ų125127 Ų12787%0.87473%0.73SS**  trans-171.1100.2145.358.50000115.4
142S26.7Very low34.4Very low117 Ų117130.1 Ų130.182%0.81875%0.75SS**  trans-170.6162.6164.5-1450000109.1
143P35.3Very low33.8Very low111 Ų111128.8 Ų128.872%0.72176%0.76SS**  cis-137.7-172.12.143.6-26.2000115.8
144A30Very low33.3Very low90 Ų90129.8 Ų129.874%0.74477%0.773SS**  trans68.2124.1157.300000119
145A32.2Very low32.5Very low101 Ų101131.3 Ų131.384%0.83579%0.786SS**  78.3140.556.700000113.6
146S32.5Very low32Very low109 Ų109135.5 Ų135.576%0.76281%0.805SS**  cis-163.1163.41356.80000112.7
147D34.5Very low31.4Very low163 Ų163132 Ų13287%0.87280%0.796SS**  -155.7168.6127.5-142.1-22.7000112.6
148R28.1Very low30.9Very low224 Ų224133 Ų13385%0.84580%0.802SS**  trans-134.2141.9-171.4-70176.2168.4179.5-4.4114.3
149V31.6Very low30.2Very low152 Ų152130.9 Ų130.992%0.92180%0.8SS**  trans-137.6145.2145.1-176.60000110.1
150V27.4Very low29.8Very low129 Ų129130.9 Ų130.978%0.78280%0.804SS**  trans-89.3144.2-169.8171.80000113.1
151A30.3Very low29.9Very low94 Ų94130.8 Ų130.878%0.77780%0.804SS**  trans-164154.2140.800000112
152D27.6Very low29.8Very low170 Ų170132.3 Ų132.391%0.90980%0.801SS**  trans-57.7158.9-165-53.4-52.9000118.9
153G28.6Very low29.9Very low73 Ų73132 Ų13275%0.75381%0.806SS**  trans16184.916800000115.1
154D30.8Very low29.6Very low167 Ų167130.3 Ų130.389%0.89381%0.808SS**  trans29.4116.5167.5-66.8-17.1000121.1
155V26.7Very low29.6Very low138 Ų138135.3 Ų135.384%0.83682%0.816SS**  trans-107.5127166.4173.50000109.9
156V32.1Very low30.2Very low141 Ų141135.4 Ų135.486%0.85581%0.808SS**  trans-118.9101164.3179.90000109.1
157A27.4Very low29.9Very low63 Ų63140 Ų14052%0.52182%0.818SS.*  trans-75171.2157.500000109.1
158L30.5Very low29.5Very low164 Ų164135.4 Ų135.486%0.85981%0.809SS**  -165.6144.384.2-91.8165.6000112.9
159T27.4Very low29.6Very low122 Ų122130.9 Ų130.975%0.74880%0.801SS**  trans-85.3-177.3165.7-27.50000111
160L28.9Very low29.4Very low151 Ų151133.3 Ų133.379%0.79179%0.794SS**  trans91.9107.9166.4-56.1141.1000114.9
161D29.4Very low29.5Very low143 Ų143138 Ų13877%0.76580%0.797SS**  cis74.6150.348.5-152.79.1000115.8
162L27.2Very low29.6Very low157 Ų157144.9 Ų144.982%0.82280%0.804SS**  trans86.1130.4175.1-89.166.9000122.2
163A30Very low29.8Very low111 Ų111141.2 Ų141.292%0.91780%0.797SS**  trans-85.1178.7-169.500000117.9
164G27.7Very low30Very low74 Ų74146.1 Ų146.176%0.76379%0.792SS**  trans173.458.5167.200000124.9
165Q30.4Very low30Very low195 Ų195147.4 Ų147.491%0.91179%0.785SS**  trans60.6167.9150.3-72.2-73.4-49.400122.4
166P44.8Very low30.4Very low104 Ų104150.5 Ų150.568%0.67578%0.783SS**  trans-129.4167-167.344.3-30.8000118
167E26.2Very low30.5Very low205 Ų205150.9 Ų150.996%0.95878%0.779SS**  trans176.3158.4150.8-103.7-179.3-157.400108.5
168G27.5Very low31.4Very low66 Ų66153.9 Ų153.968%0.6879%0.794SS**  cis175.9159.9-8.700000112.9
169N29Very low31.5Very low130 Ų130149.5 Ų149.570%0.69579%0.788SS**  trans69.8114.9161.8-79.5-47.7000124.5
170R28.1Very low31.9Very low203 Ų203151.7 Ų151.777%0.76680%0.795SS**  57.1128.2120.4-64.1174.1-177.8166.9-0.7119.9
171R29.8Very low32.5Very low226 Ų226150.2 Ų150.285%0.85380%0.795SS**  -172.6152.657.7-113137.3-179.8-170.21.5114.8
172R31.9Very low32.6Very low240 Ų240148.2 Ų148.291%0.90680%0.798SS**  trans-11157.7151.9-71.9177.5169.4173.4-3.3120.1
173A30.7Very low32.9Very low92 Ų92145.3 Ų145.376%0.7680%0.797SS**  cis-166.6-130.7-13.900000109.8
174R33.3Very low32.8Very low176 Ų176145.3 Ų145.366%0.66479%0.79SS**  cis-169.894.713.7-174.7-165176.1-9810.3115.1
175R31.7Very low33Very low194 Ų194153.3 Ų153.373%0.73280%0.797SS**  trans66.9143.9156-59.2178.7174-179.8-4121.1
176Y35.4Very low33.1Very low204 Ų204153.1 Ų153.180%0.879%0.793SS**  -156.2-175.6103.5-93.9-63.6000111
177L34.2Very low32.3Very low148 Ų148155.3 Ų155.378%0.77580%0.799SS**  trans-119.4162.5-148.3-76.2161.7000116.2
178P46Very low32.5Very low127 Ų127150.4 Ų150.483%0.82579%0.787SS**  trans-97.1-179.3-177.940.1-37.3000114.7
179G32.6Very low32.6Very low72 Ų72154.8 Ų154.874%0.74279%0.79SS**  trans-166.1112.7172.500000117.2
180D35.8Very low32.6Very low168 Ų168157.2 Ų157.290%0.89879%0.79SS**  trans45.7148.2151.8-64.6-34000126.9
181P41Very low33Very low120 Ų120155.5 Ų155.578%0.77979%0.788SS**  trans-115.8158.917742.2-32.6000116
182A31.5Very low33.2Very low101 Ų101153.8 Ų153.884%0.83578%0.781SS**  trans-164.3159.116000000115.3
183A33Very low33.5Very low96 Ų96149 Ų14979%0.79378%0.779SS**  trans68.883.315100000122.2
184S28.9Very low33.7Very low110 Ų110150.4 Ų150.477%0.76977%0.77SS**  28.5118.5122.6-170.70000121.1
185R31.7Very low33.9Very low243 Ų243146.8 Ų146.892%0.91777%0.769SS**  -174.7161.2114.7-98.8163.1-171.3-166.72.5113.9
186K32.7Very low34.2Very low190 Ų190143.4 Ų143.483%0.82676%0.764SS**  trans-69137.1-172.4-51.2171-178.7-179.90113.1
187N27.6Very low34.6Very low151 Ų151138.1 Ų138.181%0.80775%0.753SS**  177.8162.9114.4-93.8-3.4000115.3
188S29.6Very low35.1Very low101 Ų101134.7 Ų134.771%0.70675%0.746SS**  trans-22.6163.8171.358.70000122.7
189E30.6Very low35Very low158 Ų158136.8 Ų136.874%0.73874%0.743SS**  trans83.1149.2168.6-60.3-148111.600115.5
190R29.7Very low35.7Very low182 Ų182139.7 Ų139.769%0.68774%0.737SS**  cis163.9161.8-15.7-171.3173.5-172.4-1752.4103.6
191F36.2Very low36.1Very low167 Ų167137.2 Ų137.273%0.73272%0.722SS**  trans72121.6-175.7-47.4-81.6000112.6
192R33.7Very low36.1Very low190 Ų190139.9 Ų139.972%0.71772%0.724SS**  75107.650.3-72.6-171.8171.2169-3114.6
193T37Very low36.3Very low138 Ų138143.5 Ų143.585%0.84772%0.724SS**  trans-107.7160.3142470000109.5
194Q35.5Very low36.2Very low122 Ų122143.5 Ų143.557%0.5772%0.718SS**  trans-120.9140172.4-66-104.831.100107.2
195P37Very low36.3Very low100 Ų100144.7 Ų144.765%0.64973%0.725SS**PPolyproline II helixtrans-62.9153.3161.8-17.832.1000110.6R1419P195-R1419 VanDerWaalsContact CD-NH2 3.34Å
196I39.6Very low36.4Very low124 Ų124136.6 Ų136.664%0.63672%0.717SS**PPolyproline II helixtrans-69.7140175.9-70.2169.1000109.4E200 I201I196-E200 HydrophobicContact CG2-CB 3.93Å; I196-I201 HydrophobicContact CG2-CD1 4.38Å; I196-I201 HydrophobicContact CG2-CG1 4.15Å
197T42.7Very low36.3Very low92 Ų92133.2 Ų133.256%0.56471%0.713SS**PPolyproline II helixtrans-85142.4174.441.30000111F199 E200T197-F199 PolarHBondContact O-N 3.43Å; T197-E200 PolarHBondContact O-N 2.8Å
198A44.3Very low36.8Very low76 Ų76132.7 Ų132.763%0.62872%0.715SS**G310 helixtrans-52-27.6-175.300000115E200 I201A198-E200 PolarHBondContact O-N 3.38Å; A198-I201 WeakPolarHBondContact O-CB 3.43Å; A198-I201 PolarHBondContact O-N 3.04Å
199F45.6Very low36.8Very low172 Ų172134.7 Ų134.775%0.75472%0.718SS**G310 helixtrans-61.5-25.8176-137.5-87.3000113.9T197 I201T197-F199 PolarHBondContact O-N 3.43Å; F199-I201 VanDerWaalsContact C-N 3.32Å
200E45.6Very low37.1Very low133 Ų133130.9 Ų130.962%0.62172%0.72SS**G310 helixtrans-86-1176.5-63-177.5129.400112.9I196 T197 A198I196-E200 HydrophobicContact CG2-CB 3.93Å; T197-E200 PolarHBondContact O-N 2.8Å; A198-E200 PolarHBondContact O-N 3.38Å
201I45.7Very low37.2Very low115 Ų115130.7 Ų130.759%0.5973%0.727SS**THydrogen-bonded Turntrans-99.9-18.4-179.4-62.7176.3000111.6I196 A198 F199I196-I201 HydrophobicContact CG2-CD1 4.38Å; I196-I201 HydrophobicContact CG2-CG1 4.15Å; A198-I201 WeakPolarHBondContact O-CB 3.43Å; A198-I201 PolarHBondContact O-N 3.04Å; F199-I201 VanDerWaalsContact C-N 3.32Å
202Q40.6Very low37.1Very low176 Ų176129.7 Ų129.782%0.82273%0.729SS**SBendtrans-101.7-3.5-168.6-152.4162.9300115S204Q202-S204 VanDerWaalsContact C-N 3.31Å
203E35.8Very low36.9Very low177 Ų177128.4 Ų128.483%0.82773%0.732SS**SBendtrans-86.49.6172.6-66.5-165.9142.700113.7
204S30.9Very low36.6Very low96 Ų96128.5 Ų128.567%0.67173%0.727SS**  trans-134.160-171.566.60000115.2Q202Q202-S204 VanDerWaalsContact C-N 3.31Å
205C31.6Very low36.3Very low135 Ų135128.5 Ų128.591%0.91274%0.735SS**  trans-147.9126.1157.2-152.60000109.5
206G32.8Very low35.9Very low73 Ų73128.5 Ų128.575%0.75374%0.738SS**  trans-95.2155.6-160.700000116.5
207T29.8Very low35.4Very low120 Ų120131.4 Ų131.474%0.73675%0.749SS**  trans-64.8152.7169.4-47.70000112.1
208V38.6Very low34.9Very low140 Ų140135.9 Ų135.985%0.84877%0.766SS**  trans-108117.4160.8178.40000107.8
209D29.7Very low34.3Very low143 Ų143139 Ų13977%0.76577%0.772SS**  trans-84.6151-178.6-69.5-54.7000112.8
210G37.4Very low33.9Very low77 Ų77135.3 Ų135.379%0.79477%0.773SS**  trans-144.6109.9169.300000109.8
211E30.6Very low33.8Very low179 Ų179138.3 Ų138.384%0.83678%0.784SS**  trans-79.7143.1-170-57.1177.4107.800113.1
212N34.4Very low33.8Very low145 Ų145138.7 Ų138.778%0.77579%0.792SS**  -173.4105.8124.1-97.3-51.2000114.4
213Q30.6Very low34.7Very low163 Ų163135.4 Ų135.476%0.76278%0.78SS**  trans38.6132.5136.7-63.3178.53.500123.3
214D31.1Very low35.7Very low141 Ų141131.8 Ų131.875%0.75477%0.766SS**  trans68137.5143.8-67.2-3.3000120.4
215T28.4Very low37.1Very low121 Ų121132.5 Ų132.574%0.74275%0.754SS**  cis-151.5163.210.8-2.90000114.4
216S28.7Very low38.6Very low100 Ų100130 Ų13070%0.69974%0.743SS**  trans72.4102.9153.461.90000122.4
217Q28.2Very low40.1Very low185 Ų185134.1 Ų134.186%0.86474%0.74SS**  73.484.8112.5-162.3179.217.300121.3
218M32.2Very low41.9Very low187 Ų187131.3 Ų131.392%0.92172%0.72SS**  -161.1158.4123.6-123.8-174.6146.900113.3
219D31.6Very low43.7Very low141 Ų141128.2 Ų128.275%0.75470%0.704SS**  trans-78.8135.2-166-63-98000116.5
220A37.8Very low45.5Very low95 Ų95127.2 Ų127.279%0.78570%0.703SS**  trans-122.995.4159.700000110.5T222A220-T222 PolarHBondContact O-N 3.47Å; A220-T222 VanDerWaalsContact O-N 3.07Å
221K42.5Very low47.5Very low195 Ų195127.1 Ų127.185%0.84870%0.695SS**  trans-73.896.2-177.6-75.1175.2178.3166.60112.1
222T45.8Very low49.8Very low124 Ų124120.4 Ų120.476%0.76167%0.67SS**  trans-75130.6162.230.50000110.2A220 D224A220-T222 PolarHBondContact O-N 3.47Å; A220-T222 VanDerWaalsContact O-N 3.07Å; T222-D224 PolarHBondContact O-N 2.89Å
223D60.3Low51.7Low107 Ų107117.9 Ų117.957%0.57265%0.652SS**  trans-81107.4-168.7-176.213.2000112.8R225 A226D223-R225 VanDerWaalsContact CG-CB 3.49Å; D223-R225 PolarHBondContact O-N 2.81Å; D223-R225 WeakPolarHBondContact OD1-CB 3.01Å; D223-R225 PolarHBondContact OD1-N 3.41Å; D223-R225 WeakPolarHBondContact OD2-CB 3.45Å; D223-A226 VanDerWaalsContact O-CB 3.25Å; D223-A226 WeakPolarHBondContact O-CB 3.26Å; D223-A226 PolarHBondContact O-N 3.38Å
224D57.9Low53.9Low100 Ų100115.6 Ų115.654%0.53564%0.643SS.*G310 helixtrans-58.7-16.9173.9-79.2-40.8000113.6T222 A226 K227 M228T222-D224 PolarHBondContact O-N 2.89Å; D224-A226 PolarHBondContact O-N 3.22Å; D224-K227 WeakPolarHBondContact O-CB 3.33Å; D224-K227 PolarHBondContact O-N 2.62Å; D224-K227 WeakPolarHBondContact OD1-CD 3.34Å; D224-K227 WeakPolarHBondContact OD1-CE 3.47Å; D224-K227 IonicContact OD1-NZ 2.68Å; D224-K227 PolarHBondContact OD1-NZ 2.75Å; D224-M228 PolarHBondContact O-N 2.87Å
225R60Low56.4Low111 Ų111112.3 Ų112.342%0.41963%0.631SS.*G310 helixtrans-66.9-11.5171.7-153.5179.4-164.91494113.6D223 M228 K233D223-R225 VanDerWaalsContact CG-CB 3.49Å; D223-R225 PolarHBondContact O-N 2.81Å; D223-R225 WeakPolarHBondContact OD1-CB 3.01Å; D223-R225 PolarHBondContact OD1-N 3.41Å; D223-R225 WeakPolarHBondContact OD2-CB 3.45Å; R225-M228 HydrophobicContact CG-SD 4.29Å; R225-K233 PolarHBondContact O-NZ 2.82Å
226A62.6Low58.9Low83 Ų83109.3 Ų109.369%0.68661%0.61SS**G310 helixtrans-76.2-30.9166.700000112.5D223 D224D223-A226 VanDerWaalsContact O-CB 3.25Å; D223-A226 WeakPolarHBondContact O-CB 3.26Å; D223-A226 PolarHBondContact O-N 3.38Å; D224-A226 PolarHBondContact O-N 3.22Å
227K63.9Low61.1Low159 Ų159110.1 Ų110.169%0.69160%0.601SS**THydrogen-bonded Turntrans-82.9-11.9-179.5-56.9174.2-167.4156.40113.2D224 S229D224-K227 WeakPolarHBondContact O-CB 3.33Å; D224-K227 PolarHBondContact O-N 2.62Å; D224-K227 WeakPolarHBondContact OD1-CD 3.34Å; D224-K227 WeakPolarHBondContact OD1-CE 3.47Å; D224-K227 IonicContact OD1-NZ 2.68Å; D224-K227 PolarHBondContact OD1-NZ 2.75Å; K227-S229 PolarHBondContact O-N 3.05Å
228M67.4Low63.6Low62 Ų62108 Ų10831%0.30559%0.589SS.*SBendtrans-70.4122.9179.5-66.2-169.479.600112.4D224 R225 A232 K233 L236D224-M228 PolarHBondContact O-N 2.87Å; R225-M228 HydrophobicContact CG-SD 4.29Å; M228-A232 HydrophobicContact CB-CB 4.47Å; M228-A232 HydrophobicContact CE-CB 3.8Å; M228-K233 HydrophobicContact CB-CB 4.49Å; M228-L236 HydrophobicContact CE-CB 4.28Å; M228-L236 HydrophobicContact CE-CD1 3.8Å; M228-L236 HydrophobicContact SD-CD1 4.11Å
229S76.8Confident65.8Low74 Ų74104.9 Ų104.952%0.51757%0.572SS.*  trans-58.7155.8173.481.40000112K227 A231 A232 K233K227-S229 PolarHBondContact O-N 3.05Å; S229-A231 PolarHBondContact O-N 3.08Å; S229-A231 VanDerWaalsContact O-N 3.14Å; S229-A232 PolarHBondContact O-N 3.06Å; S229-A232 PolarHBondContact OG-N 3.16Å; S229-K233 WeakPolarHBondContact O-CB 3.32Å; S229-K233 PolarHBondContact O-N 2.6Å
230V67.8Low67.9Low122 Ų122102.4 Ų102.474%0.73956%0.559SS**Hα-helixtrans-53.6-38.2-179.9-178.30000111.8M234V230-M234 HydrophobicContact CG1-CG 4.38Å; V230-M234 WeakPolarHBondContact O-CB 3.41Å; V230-M234 WeakPolarHBondContact O-CG 3.32Å; V230-M234 PolarHBondContact O-N 3.36Å
231A79.7Confident69.7Low76 Ų76105 Ų10563%0.62856%0.555SS**Hα-helixtrans-66.1-44.2176.300000112.5S229 M234 S235S229-A231 PolarHBondContact O-N 3.08Å; S229-A231 VanDerWaalsContact O-N 3.14Å; A231-M234 PolarHBondContact O-N 2.94Å; A231-S235 WeakPolarHBondContact O-CB 3.28Å; A231-S235 PolarHBondContact O-N 2.88Å
232A78Confident71.3Confident38 Ų38103.9 Ų103.931%0.31455%0.549SS..Hα-helixtrans-66.5-41.2176.900000111.7M228 S229 M234 S235 L236M228-A232 HydrophobicContact CB-CB 4.47Å; M228-A232 HydrophobicContact CE-CB 3.8Å; S229-A232 PolarHBondContact O-N 3.06Å; S229-A232 PolarHBondContact OG-N 3.16Å; A232-M234 VanDerWaalsContact C-N 3.32Å; A232-M234 PolarHBondContact O-N 2.86Å; A232-S235 PolarHBondContact O-N 2.85Å; A232-L236 WeakPolarHBondContact O-CB 3.38Å; A232-L236 PolarHBondContact O-N 3.29Å
233K75.3Confident72.5Confident92 Ų92102.7 Ų102.740%0.454%0.542SS..Hα-helixtrans-64.7-35.2177.3-156.8159.7-172.8155.40112R225 M228 S229 F237R225-K233 PolarHBondContact O-NZ 2.82Å; M228-K233 HydrophobicContact CB-CB 4.49Å; S229-K233 WeakPolarHBondContact O-CB 3.32Å; S229-K233 PolarHBondContact O-N 2.6Å; K233-F237 PolarHBondContact O-N 3.28Å
234M76.2Confident72.1Confident115 Ų115101 Ų10157%0.56754%0.543SS*.Hα-helixtrans-74-38171.9-69.6-8479.400113.1V230 A231 A232 F237 K238V230-M234 HydrophobicContact CG1-CG 4.38Å; V230-M234 WeakPolarHBondContact O-CB 3.41Å; V230-M234 WeakPolarHBondContact O-CG 3.32Å; V230-M234 PolarHBondContact O-N 3.36Å; A231-M234 PolarHBondContact O-N 2.94Å; A232-M234 VanDerWaalsContact C-N 3.32Å; A232-M234 PolarHBondContact O-N 2.86Å; M234-F237 HydrophobicContact CE-CB 4.32Å; M234-F237 PolarHBondContact O-N 2.88Å; M234-K238 WeakPolarHBondContact O-CB 3.44Å; M234-K238 PolarHBondContact O-N 3.21Å
235S83.8Confident71.5Confident71 Ų7199.3 Ų99.350%0.49754%0.539SS..Hα-helixtrans-63.5-45.4175.6-161.90000111.2A231 A232 F237 K238 E239A231-S235 WeakPolarHBondContact O-CB 3.28Å; A231-S235 PolarHBondContact O-N 2.88Å; A232-S235 PolarHBondContact O-N 2.85Å; S235-F237 VanDerWaalsContact C-N 3.32Å; S235-F237 PolarHBondContact O-N 3.17Å; S235-K238 CarbonylContact O-C 3.39Å; S235-K238 PolarHBondContact O-N 3.12Å; S235-K238 VanDerWaalsContact O-N 3.11Å; S235-E239 WeakPolarHBondContact O-CB 3.38Å; S235-E239 PolarHBondContact O-N 3.03Å
236L79.8Confident71.3Confident58 Ų5899.2 Ų99.230%0.30455%0.553SS.*Hα-helixtrans-64.5-34.9177.7-170.9149000112M228 A232 E239 L240M228-L236 HydrophobicContact CE-CB 4.28Å; M228-L236 HydrophobicContact CE-CD1 3.8Å; M228-L236 HydrophobicContact SD-CD1 4.11Å; A232-L236 WeakPolarHBondContact O-CB 3.38Å; A232-L236 PolarHBondContact O-N 3.29Å; L236-E239 PolarHBondContact O-N 2.89Å; L236-L240 HydrophobicContact CD2-CD1 3.67Å; L236-L240 HydrophobicContact CD2-CG 4.27Å; L236-L240 WeakPolarHBondContact O-CG 3.28Å; L236-L240 PolarHBondContact O-N 2.95Å
237F75.3Confident70.7Confident117 Ų117103 Ų10351%0.51356%0.556SS.*Hα-helixtrans-61.5-46.7169.8-120.9-87.6000112K233 M234 S235 E239 L240 E241K233-F237 PolarHBondContact O-N 3.28Å; M234-F237 HydrophobicContact CE-CB 4.32Å; M234-F237 PolarHBondContact O-N 2.88Å; S235-F237 VanDerWaalsContact C-N 3.32Å; S235-F237 PolarHBondContact O-N 3.17Å; F237-E239 PolarHBondContact O-N 3.09Å; F237-L240 PolarHBondContact O-N 3.43Å; F237-E241 WeakPolarHBondContact O-CG 3.41Å; F237-E241 PolarHBondContact O-N 3.11Å
238K81.1Confident69.8Low141 Ų14198 Ų9861%0.61355%0.545SS*.Hα-helixtrans-71.3-10.4-179.3-156.1173-170.1175.20113.9M234 S235 K242M234-K238 WeakPolarHBondContact O-CB 3.44Å; M234-K238 PolarHBondContact O-N 3.21Å; S235-K238 CarbonylContact O-C 3.39Å; S235-K238 PolarHBondContact O-N 3.12Å; S235-K238 VanDerWaalsContact O-N 3.11Å; K238-K242 WeakPolarHBondContact O-CD 3.45Å; K238-K242 WeakPolarHBondContact O-CG 3.27Å
239E79.1Confident68.6Low122 Ų12296.2 Ų96.257%0.5754%0.538SS*.Hα-helixtrans-97.8-36.6174.8-168.8156.1-133.700111.3S235 L236 F237 K242 T243S235-E239 WeakPolarHBondContact O-CB 3.38Å; S235-E239 PolarHBondContact O-N 3.03Å; L236-E239 PolarHBondContact O-N 2.89Å; F237-E239 PolarHBondContact O-N 3.09Å; E239-K242 PolarHBondContact O-N 3.33Å; E239-K242 VanDerWaalsContact O-N 3.11Å; E239-T243 WeakPolarHBondContact O-CG2 3.45Å; E239-T243 PolarHBondContact O-N 2.93Å; E239-T243 PolarHBondContact O-OG1 2.93Å
240L74.9Confident67Low89 Ų8999.6 Ų99.647%0.46655%0.55SS..Hα-helixtrans-60.7-42166.1-73.6170.7000111.9L236 F237 K242 T243 A244L236-L240 HydrophobicContact CD2-CD1 3.67Å; L236-L240 HydrophobicContact CD2-CG 4.27Å; L236-L240 WeakPolarHBondContact O-CG 3.28Å; L236-L240 PolarHBondContact O-N 2.95Å; F237-L240 PolarHBondContact O-N 3.43Å; L240-K242 PolarHBondContact O-N 3.03Å; L240-K242 VanDerWaalsContact O-N 3.17Å; L240-T243 WeakPolarHBondContact CA-OG1 3.45Å; L240-T243 PolarHBondContact O-N 3.34Å; L240-T243 VanDerWaalsContact O-N 3.14Å; L240-T243 PolarHBondContact O-OG1 3.38Å; L240-A244 PolarHBondContact O-N 3.22Å; L240-A244 VanDerWaalsContact O-N 3.13Å
241E74.6Confident65.9Low150 Ų150103.2 Ų103.270%0.70156%0.556SS**Hα-helixtrans-60.3-22.4173.1-75.8-175.1141.200113.7F237F237-E241 WeakPolarHBondContact O-CG 3.41Å; F237-E241 PolarHBondContact O-N 3.11Å
242K77.1Confident63.8Low170 Ų170106.8 Ų106.874%0.73956%0.564SS**Hα-helixtrans-93.1-14.9177.7-72.6175.9178.2-177.60114.2K238 E239 L240K238-K242 WeakPolarHBondContact O-CD 3.45Å; K238-K242 WeakPolarHBondContact O-CG 3.27Å; E239-K242 PolarHBondContact O-N 3.33Å; E239-K242 VanDerWaalsContact O-N 3.11Å; L240-K242 PolarHBondContact O-N 3.03Å; L240-K242 VanDerWaalsContact O-N 3.17Å
243T71.5Confident61.6Low100 Ų100111.8 Ų111.861%0.61358%0.578SS**Hα-helixtrans-115.1-9.9-170.848.60000113.8E239 L240E239-T243 WeakPolarHBondContact O-CG2 3.45Å; E239-T243 PolarHBondContact O-N 2.93Å; E239-T243 PolarHBondContact O-OG1 2.93Å; L240-T243 WeakPolarHBondContact CA-OG1 3.45Å; L240-T243 PolarHBondContact O-N 3.34Å; L240-T243 VanDerWaalsContact O-N 3.14Å; L240-T243 PolarHBondContact O-OG1 3.38Å
244A50.3Low59.4Low72 Ų72113.5 Ų113.560%0.59560%0.599SS**  trans-64133.9172.600000112.5L240L240-A244 PolarHBondContact O-N 3.22Å; L240-A244 VanDerWaalsContact O-N 3.13Å
245S46.4Very low57.4Low63 Ų63120 Ų12044%0.44162%0.617SS.*  trans-74.7162.1-172.972.50000113.7E247 A248 S249S245-E247 PolarHBondContact O-N 3.07Å; S245-E247 VanDerWaalsContact O-N 3.15Å; S245-A248 PolarHBondContact O-N 3.25Å; S245-S249 PolarHBondContact O-N 3.23Å
246P55.3Low55.1Low109 Ų109122 Ų12271%0.70863%0.631SS**THydrogen-bonded Turntrans-57-31.5-178-27.536.5000114.5S249P246-S249 PolarHBondContact O-N 3.41Å; P246-S249 PolarHBondContact O-OG 3.33Å
247E50Low52.7Low163 Ų163124 Ų12476%0.76265%0.65SS**THydrogen-bonded Turntrans-81.8-36.8-175.9-62.1179.9141.300112.5S245 S249 L250S245-E247 PolarHBondContact O-N 3.07Å; S245-E247 VanDerWaalsContact O-N 3.15Å; E247-S249 PolarHBondContact O-N 2.98Å; E247-L250 PolarHBondContact O-N 2.91Å
248A45.4Very low50.6Low54 Ų54128 Ų12845%0.44667%0.667SS.*G310 helixtrans-59.9-27.5170.400000112S245 L250 F251S245-A248 PolarHBondContact O-N 3.25Å; A248-L250 PolarHBondContact O-N 3.2Å; A248-L250 VanDerWaalsContact O-N 3.16Å; A248-F251 PolarHBondContact O-N 2.85Å
249S42Very low48.4Very low24 Ų24126.1 Ų126.117%0.16867%0.672CS.*G310 helixtrans-73.64.4178.882.80000115.3S245 P246 E247 K253S245-S249 PolarHBondContact O-N 3.23Å; P246-S249 PolarHBondContact O-N 3.41Å; P246-S249 PolarHBondContact O-OG 3.33Å; E247-S249 PolarHBondContact O-N 2.98Å; S249-K253 WeakPolarHBondContact O-CB 3.29Å; S249-K253 VanDerWaalsContact O-CD 3.31Å; S249-K253 WeakPolarHBondContact O-CD 3.26Å; S249-K253 VanDerWaalsContact O-CG 3.27Å; S249-K253 WeakPolarHBondContact O-CG 3.42Å; S249-K253 PolarHBondContact OG-NZ 2.91Å
250L42.2Very low46Very low146 Ų146130.2 Ų130.276%0.76469%0.688SS**G310 helixtrans-83.7-27.3168.6-76.1173000113.6E247 A248E247-L250 PolarHBondContact O-N 2.91Å; A248-L250 PolarHBondContact O-N 3.2Å; A248-L250 VanDerWaalsContact O-N 3.16Å
251F45.3Very low44Very low197 Ų197132.4 Ų132.486%0.86470%0.696SS**THydrogen-bonded Turntrans-84.7-12170.9-81.1-87.2000113A248A248-F251 PolarHBondContact O-N 2.85Å
252L35.3Very low42Very low151 Ų151133 Ų13379%0.79170%0.698SS**SBendtrans-132.858.7-177.1-66.1175.2000112.2
253K32.7Very low39.9Very low143 Ų143137.2 Ų137.262%0.62271%0.71SS**  trans-134.1134.3166.9-95.1174.3-177.1147.30112.4S249 R255S249-K253 WeakPolarHBondContact O-CB 3.29Å; S249-K253 VanDerWaalsContact O-CD 3.31Å; S249-K253 WeakPolarHBondContact O-CD 3.26Å; S249-K253 VanDerWaalsContact O-CG 3.27Å; S249-K253 WeakPolarHBondContact O-CG 3.42Å; S249-K253 PolarHBondContact OG-NZ 2.91Å; K253-R255 PolarHBondContact O-N 3.03Å
254P28.5Very low38Very low129 Ų129140.7 Ų140.784%0.83871%0.712SS**  trans-77.1114.4-175.230.3-34.1000111.5
255R34.4Very low37Very low252 Ų252142 Ų14295%0.95172%0.717SS**  trans-85.5127.5161.7-73.5-168.8174.1-163-1109.5K253K253-R255 PolarHBondContact O-N 3.03Å
256S34.9Very low36.6Very low113 Ų113150.6 Ų150.679%0.7974%0.739SS**  trans-90.8171.8-173.755.80000112.5
257S31Very low35.5Very low100 Ų100156.8 Ų156.870%0.69975%0.749SS**  trans7174.6155.1-161.30000118.2
258K30.7Very low34.6Very low199 Ų199155 Ų15587%0.86574%0.744SS**SBend157.180114.6-82.6173.2179.6-179.20114.8
259S34.3Very low34Very low102 Ų102160.2 Ų160.271%0.71377%0.765SS**  trans-177.383151.345.50000112H261S259-H261 PolarHBondContact O-N 2.99Å
260F29.9Very low33.7Very low209 Ų209165.8 Ų165.892%0.91779%0.793SS**  trans-82.128.9-173.6-116.5-89000114.8
261H31Very low33.7Very low135 Ų135165 Ų16563%0.62580%0.796SS**  trans-115.6-34.4-162.2-83.6-96.6000117.1S259 R263 R264S259-H261 PolarHBondContact O-N 2.99Å; H261-R263 VanDerWaalsContact C-N 3.26Å; H261-R263 PolarHBondContact O-N 3.32Å; H261-R263 VanDerWaalsContact O-N 3.07Å; H261-R264 PolarHBondContact O-N 3.04Å
262E32.8Very low33.2Very low161 Ų161166.6 Ų166.675%0.75280%0.796SS**THydrogen-bonded Turntrans-54.9-35.9-171.8-132.260.1-132.600114.9R264E262-R264 VanDerWaalsContact C-N 3.27Å; E262-R264 PolarHBondContact O-N 3.3Å
263R32.9Very low33.2Very low259 Ų259163.3 Ų163.398%0.97779%0.791SS**THydrogen-bonded Turntrans-8918-177.9-61.3-170.4-175.7-173.11.8113.9H261H261-R263 VanDerWaalsContact C-N 3.26Å; H261-R263 PolarHBondContact O-N 3.32Å; H261-R263 VanDerWaalsContact O-N 3.07Å
264R32.6Very low33.7Very low174 Ų174164.7 Ų164.766%0.65780%0.804SS**THydrogen-bonded Turntrans-112.5-20.9175.2-141.4170.1-170.91600.5113.8H261 E262 R266H261-R264 PolarHBondContact O-N 3.04Å; E262-R264 VanDerWaalsContact C-N 3.27Å; E262-R264 PolarHBondContact O-N 3.3Å; R264-R266 VanDerWaalsContact C-N 3.28Å; R264-R266 PolarHBondContact O-N 3.47Å
265S29.7Very low33.9Very low100 Ų100164.7 Ų164.770%0.69980%0.802SS**THydrogen-bonded Turntrans-83.521.2-179.1-55.70000115.5
266R37.1Very low34.4Very low242 Ų242160.4 Ų160.491%0.91379%0.793SS**THydrogen-bonded Turntrans-12518.6173.7-69.6-169175.8-173.4-2.5114.3R264R264-R266 VanDerWaalsContact C-N 3.28Å; R264-R266 PolarHBondContact O-N 3.47Å
267R33.5Very low35.1Very low240 Ų240160.3 Ų160.391%0.90679%0.79SS**SBendtrans-149.935.2170.2-76.9-161169.8172.1-3.1112.2
268N30Very low35.8Very low125 Ų125161.7 Ų161.767%0.66879%0.788SS**  trans-145.835.4-171.7-132.293.2000113.1
269N33.7Very low36.7Very low164 Ų164156 Ų15688%0.87777%0.77SS**  trans-130.671.5163.6-937.4000107.7
270D34.8Very low37.4Very low141 Ų141158.6 Ų158.675%0.75477%0.769SS**  trans-110.8107.2166.2-103.3-16.8000105.5R272D270-R272 HydrophobicContact CB-CB 4.37Å; D270-R272 PolarHBondContact O-N 2.88Å
271P42.6Very low38.6Very low130 Ų130155 Ų15584%0.84475%0.754SS**  trans-75.555.217132.4-34.5000110.3A273P271-A273 PolarHBondContact O-N 2.76Å
272R34.1Very low39.7Very low229 Ų229155.1 Ų155.186%0.86476%0.755SS**  trans-83.449.3-175.9-159.4-171.8-1781507.1112.4D270D270-R272 HydrophobicContact CB-CB 4.37Å; D270-R272 PolarHBondContact O-N 2.88Å
273A36.5Very low40.8Very low82 Ų82152.4 Ų152.468%0.67875%0.75SS**  trans-163.4103.7169.800000110.6P271P271-A273 PolarHBondContact O-N 2.76Å
274L41.8Very low41.6Very low173 Ų173145.9 Ų145.991%0.90673%0.732SS**  -16991.9119.6-101.6165.2000109.7Q276L274-Q276 PolarHBondContact O-N 2.6Å
275T33.3Very low42.4Very low129 Ų129145 Ų14579%0.79174%0.738SS**  trans-89.887.4171.947.60000109.8
276Q45.3Very low43.1Very low161 Ų161144.8 Ų144.875%0.75274%0.741SS**  trans-167.6129.7143.5-79.4-38-58.500107.3L274L274-Q276 PolarHBondContact O-N 2.6Å
277P50Low43.4Very low112 Ų112137.1 Ų137.173%0.72773%0.73SS**PPolyproline II helixtrans-77125.4165.531.4-29.8000109.4
278I44.9Very low43.6Very low128 Ų128131.5 Ų131.566%0.65673%0.727SS**PPolyproline II helixtrans-67.8133.3164.1-70.9170.4000107.4E282I278-E282 HydrophobicContact CG2-CB 4.24Å
279T50.9Low44.3Very low79 Ų79131.5 Ų131.549%0.48573%0.734SS.*PPolyproline II helixtrans-79.4154178.9510000110.9E281 E282T279-E281 PolarHBondContact O-N 2.8Å; T279-E281 VanDerWaalsContact O-N 3.12Å; T279-E282 PolarHBondContact O-N 2.87Å
280F47.7Very low44.5Very low158 Ų158133 Ų13369%0.69374%0.736SS**Hα-helixtrans-56-31.4179.7-152.5-103.6000112.2T283F280-T283 PolarHBondContact O-N 3.24Å
281E54.9Low44.5Very low132 Ų132132.3 Ų132.362%0.61774%0.739SS**Hα-helixtrans-60.5-42.3-178.5-164.9168.4-161.400114.2T279 T283 M284 M285T279-E281 PolarHBondContact O-N 2.8Å; T279-E281 VanDerWaalsContact O-N 3.12Å; E281-T283 PolarHBondContact O-N 3.24Å; E281-M284 PolarHBondContact O-N 3.11Å; E281-M285 HydrophobicContact CG-CE 4.14Å
282E55.5Low44.1Very low138 Ų138129.5 Ų129.565%0.64573%0.734SS**Hα-helixtrans-65.6-23.9177.2-74.7-167.9121.400112.7I278 T279I278-E282 HydrophobicContact CG2-CB 4.24Å; T279-E282 PolarHBondContact O-N 2.87Å
283T54.4Low44.2Very low104 Ų104128.2 Ų128.264%0.63874%0.737SS**Hα-helixtrans-81.4-22-176.7-40.10000112F280 E281F280-T283 PolarHBondContact O-N 3.24Å; E281-T283 PolarHBondContact O-N 3.24Å
284M51Low44Very low123 Ų123129.1 Ų129.161%0.60675%0.745SS**Hα-helixtrans-92.2-18.9-171.9-137.5168.382.200114E281 A286E281-M284 PolarHBondContact O-N 3.11Å; M284-A286 VanDerWaalsContact C-N 3.35Å; M284-A286 PolarHBondContact O-N 3.3Å
285M48.4Very low43.8Very low156 Ų156124.7 Ų124.777%0.76874%0.741SS**THydrogen-bonded Turntrans-81.4-7.5-178.1-61.8-167.5-175.900114.7E281E281-M285 HydrophobicContact CG-CE 4.14Å
286A43.9Very low43.8Very low94 Ų94128.1 Ų128.178%0.77775%0.748SS**THydrogen-bonded Turntrans-89.85.2-172.700000115.3M284M284-A286 VanDerWaalsContact C-N 3.35Å; M284-A286 PolarHBondContact O-N 3.3Å
287A43.6Very low43.4Very low82 Ų82125.4 Ų125.468%0.67875%0.754SS**  trans-134.262.2-167.100000114.3
288S39.3Very low42.5Very low121 Ų121128 Ų12885%0.84676%0.756SS**  trans-156.6111.2168.5-820000113.5
289P43.6Very low42.2Very low126 Ų126127.1 Ų127.182%0.81876%0.759SS**  trans-106.2135.5165.834.7-25.9000112
290Q37.2Very low41.3Very low194 Ų194131.7 Ų131.791%0.90777%0.774SS**  trans-118.6157.2164.1-77.9-153.5-5.700111.4
291P35.6Very low41Very low128 Ų128131.4 Ų131.483%0.83179%0.785SS**  trans-109.1162.8-157.940.2-33.8000115.3
292G34.7Very low40.2Very low70 Ų70134.2 Ų134.272%0.72280%0.798SS**  trans174.8117.116300000114.6
293E35.2Very low39.2Very low202 Ų202135 Ų13594%0.94481%0.808SS**  trans46.1152.6142.3-57.9179.8178.400121.8
294A33.9Very low38.5Very low101 Ų101137.6 Ų137.684%0.83582%0.817SS**  cis-171.8151.2-26.200000108.3
295G36.6Very low37.8Very low81 Ų81136.3 Ų136.384%0.83583%0.826SS**  trans156.6147.4172.400000115.1
296E32.9Very low37.9Very low200 Ų200131.3 Ų131.394%0.93582%0.815SS**  trans-116.9143-166.5-55.6164.911800113.4
297A37.5Very low38.3Very low105 Ų105133.2 Ų133.287%0.86882%0.817SS**  trans166.7128.4131.300000114
298E30.9Very low38.7Very low166 Ų166138.9 Ų138.978%0.77683%0.826SS**  trans-63.9162.2169.6-77.4-62.2136.500113.4E300E298-E300 PolarHBondContact OE2-N 2.93Å
299P37.7Very low40.1Very low110 Ų110136.4 Ų136.471%0.71480%0.803SS**  cis-147.3158.739.141.7-21.1000121.5
300E33.7Very low41.6Very low174 Ų174133 Ų13381%0.81378%0.782SS**  trans48.795142.3-65.7-174.6166.400120.4E298E298-E300 PolarHBondContact OE2-N 2.93Å
301V40.3Very low42.9Very low152 Ų152130.9 Ų130.992%0.92177%0.774SS**  trans-142.5145.6143.2-175.80000108.7
302E38.7Very low44.6Very low191 Ų191128.7 Ų128.789%0.89376%0.762SS**  trans-71.6161.8-174.5-66.6175.9108.500115.5
303D35.1Very low46.8Very low156 Ų156129.7 Ų129.783%0.83475%0.748SS**  trans-61.4152.6-176.3-76.1-69.6000116.3
304D38.5Very low48.7Very low157 Ų157125.8 Ų125.884%0.8473%0.728SS**  trans-142.680.8153.4-156.4-6.9000111.9G306D304-G306 VanDerWaalsContact C-N 3.28Å; D304-G306 PolarHBondContact O-N 3.22Å
305A36.9Very low50.6Low97 Ų97126 Ų12680%0.80272%0.715SS**  trans-80.352.1-169.700000114.7T307A305-T307 PolarHBondContact O-N 3.17Å
306G49.7Very low52.6Low51 Ų51124.9 Ų124.953%0.52670%0.697SS.*  trans-76.9-9.4-167.600000118.8D304D304-G306 VanDerWaalsContact C-N 3.28Å; D304-G306 PolarHBondContact O-N 3.22Å
307T52.2Low54.7Low133 Ų133118.8 Ų118.882%0.81667%0.671SS**SBendtrans-111.59.9-152.7-30.10000116.7A305A305-T307 PolarHBondContact O-N 3.17Å
308K53.1Low56.3Low201 Ų201120.7 Ų120.787%0.87466%0.659SS**  trans-127.453.8-179.1-78.2-169.8174.2-179.80114.6
309L68.2Low58.4Low69 Ų69117.4 Ų117.436%0.36165%0.647SS.*  trans-118.7126.6171.8-67.5162.6000110.6E313 K314 L317L309-E313 HydrophobicContact CB-CB 4.26Å; L309-E313 HydrophobicContact CD2-CB 3.96Å; L309-K314 HydrophobicContact CB-CG 4.12Å; L309-K314 WeakPolarHBondContact O-CE 3.33Å; L309-K314 PolarHBondContact O-NZ 3.07Å; L309-L317 HydrophobicContact CD1-CD1 3.61Å; L309-L317 HydrophobicContact CD2-CD1 4.46Å
310S75.3Confident60.1Low54 Ų54119.6 Ų119.638%0.37865%0.646SS.*  trans-70.3174.3178.668.50000112.8S312 E313 K314S310-S312 PolarHBondContact O-N 2.88Å; S310-S312 PolarHBondContact OG-OG 3.19Å; S310-E313 WeakPolarHBondContact CB-OE2 3.49Å; S310-E313 PolarHBondContact N-OE2 2.93Å; S310-E313 PolarHBondContact O-N 3.42Å; S310-E313 WeakPolarHBondContact OG-CG 3.39Å; S310-E313 PolarHBondContact OG-OE2 3.33Å; S310-K314 WeakPolarHBondContact O-CB 3.43Å; S310-K314 WeakPolarHBondContact O-CG 3.4Å; S310-K314 PolarHBondContact O-N 2.85Å
311M64Low61.9Low150 Ų150117.7 Ų117.774%0.73964%0.64SS**Hα-helixtrans-62.5-41.1-178-154.369.570.500112.3K314 L315M311-K314 PolarHBondContact O-N 3.44Å; M311-L315 WeakPolarHBondContact O-CG 3.2Å; M311-L315 PolarHBondContact O-N 3.34Å
312S72.3Confident63Low83 Ų83114.1 Ų114.158%0.5862%0.622SS**Hα-helixtrans-69.2-38.1177.5490000111.9S310 L315 A316S310-S312 PolarHBondContact O-N 2.88Å; S310-S312 PolarHBondContact OG-OG 3.19Å; S312-L315 PolarHBondContact O-N 2.62Å; S312-A316 VanDerWaalsContact O-CB 3.28Å; S312-A316 WeakPolarHBondContact O-CB 3.38Å; S312-A316 PolarHBondContact O-N 3.34Å
313E79.8Confident63.5Low91 Ų91111.6 Ų111.643%0.42561%0.61SS.*Hα-helixtrans-68.7-37.3175.8-68.3166.6116.500112.3L309 S310 A316 L317L309-E313 HydrophobicContact CB-CB 4.26Å; L309-E313 HydrophobicContact CD2-CB 3.96Å; S310-E313 WeakPolarHBondContact CB-OE2 3.49Å; S310-E313 PolarHBondContact N-OE2 2.93Å; S310-E313 PolarHBondContact O-N 3.42Å; S310-E313 WeakPolarHBondContact OG-CG 3.39Å; S310-E313 PolarHBondContact OG-OE2 3.33Å; E313-A316 PolarHBondContact O-N 2.96Å; E313-L317 WeakPolarHBondContact O-CB 3.49Å; E313-L317 PolarHBondContact O-N 3.47Å
314K76.4Confident64.2Low120 Ų120110.1 Ų110.152%0.52261%0.609SS.*Hα-helixtrans-66-40.8173.1-76173.2176165.80112.2L309 S310 M311 L317 F318L309-K314 HydrophobicContact CB-CG 4.12Å; L309-K314 WeakPolarHBondContact O-CE 3.33Å; L309-K314 PolarHBondContact O-NZ 3.07Å; S310-K314 WeakPolarHBondContact O-CB 3.43Å; S310-K314 WeakPolarHBondContact O-CG 3.4Å; S310-K314 PolarHBondContact O-N 2.85Å; M311-K314 PolarHBondContact O-N 3.44Å; K314-L317 PolarHBondContact O-N 3.5Å; K314-F318 WeakPolarHBondContact O-CB 3.25Å; K314-F318 PolarHBondContact O-N 3.48Å
315L73.6Confident64.5Low106 Ų106109.7 Ų109.756%0.55561%0.605SS**Hα-helixtrans-67.5-38.2173.1-72169.6000112.1M311 S312 F318 N319M311-L315 WeakPolarHBondContact O-CG 3.2Å; M311-L315 PolarHBondContact O-N 3.34Å; S312-L315 PolarHBondContact O-N 2.62Å; L315-F318 PolarHBondContact O-N 2.8Å; L315-N319 WeakPolarHBondContact O-CB 3.47Å; L315-N319 PolarHBondContact O-N 3.13Å
316A78.6Confident64.4Low57 Ų57112.8 Ų112.847%0.47161%0.607SS.*Hα-helixtrans-64.1-42.8173.700000111.7S312 E313 N319 K320S312-A316 VanDerWaalsContact O-CB 3.28Å; S312-A316 WeakPolarHBondContact O-CB 3.38Å; S312-A316 PolarHBondContact O-N 3.34Å; E313-A316 PolarHBondContact O-N 2.96Å; A316-N319 PolarHBondContact O-N 3.07Å; A316-K320 WeakPolarHBondContact O-CB 3.21Å; A316-K320 PolarHBondContact O-N 3.4Å
317L76.3Confident63.7Low72 Ų72114.2 Ų114.238%0.37762%0.623SS.*Hα-helixtrans-63.8-42.7173.4-89.8161.4000112.2L309 E313 K314 N319 K320 L321L309-L317 HydrophobicContact CD1-CD1 3.61Å; L309-L317 HydrophobicContact CD2-CD1 4.46Å; E313-L317 WeakPolarHBondContact O-CB 3.49Å; E313-L317 PolarHBondContact O-N 3.47Å; K314-L317 PolarHBondContact O-N 3.5Å; L317-N319 PolarHBondContact O-N 3.15Å; L317-K320 CarbonylContact O-C 3.43Å; L317-K320 PolarHBondContact O-N 3.01Å; L317-K320 VanDerWaalsContact O-N 3.1Å; L317-L321 WeakPolarHBondContact O-CB 3.39Å; L317-L321 VanDerWaalsContact O-CG 3.31Å; L317-L321 WeakPolarHBondContact O-CG 3.48Å; L317-L321 PolarHBondContact O-N 3.17Å
318F70.8Confident63Low144 Ų144112.3 Ų112.363%0.63262%0.62SS**Hα-helixtrans-59.8-45.2175.3-171.8-99.2000111.7K314 L315 K320 L321 S322K314-F318 WeakPolarHBondContact O-CB 3.25Å; K314-F318 PolarHBondContact O-N 3.48Å; L315-F318 PolarHBondContact O-N 2.8Å; F318-K320 VanDerWaalsContact C-N 3.25Å; F318-K320 PolarHBondContact O-N 2.79Å; F318-L321 PolarHBondContact O-N 2.95Å; F318-S322 WeakPolarHBondContact O-CB 3.46Å; F318-S322 PolarHBondContact O-N 3.07Å; F318-S322 PolarHBondContact O-OG 3.46Å
319N74.1Confident62.2Low98 Ų98110.3 Ų110.352%0.52462%0.624SS.*Hα-helixtrans-70.5-16.8175.6-73.1-20.3000114.4L315 A316 L317 S322L315-N319 WeakPolarHBondContact O-CB 3.47Å; L315-N319 PolarHBondContact O-N 3.13Å; A316-N319 PolarHBondContact O-N 3.07Å; L317-N319 PolarHBondContact O-N 3.15Å; N319-S322 WeakPolarHBondContact CA-OG 3.33Å; N319-S322 PolarHBondContact O-OG 3.18Å
320K73.8Confident60.7Low156 Ų156110.4 Ų110.468%0.67864%0.642SS**Hα-helixtrans-92.4-25175.9-164.2175.2-174.3-177.60112.3A316 L317 F318A316-K320 WeakPolarHBondContact O-CB 3.21Å; A316-K320 PolarHBondContact O-N 3.4Å; L317-K320 CarbonylContact O-C 3.43Å; L317-K320 PolarHBondContact O-N 3.01Å; L317-K320 VanDerWaalsContact O-N 3.1Å; F318-K320 VanDerWaalsContact C-N 3.25Å; F318-K320 PolarHBondContact O-N 2.79Å
321L71.9Confident59Low133 Ų133113.9 Ų113.970%0.69667%0.666SS**Hα-helixtrans-88.3-19.9173.8-71.7167000113L317 F318 Q323L317-L321 WeakPolarHBondContact O-CB 3.39Å; L317-L321 VanDerWaalsContact O-CG 3.31Å; L317-L321 WeakPolarHBondContact O-CG 3.48Å; L317-L321 PolarHBondContact O-N 3.17Å; F318-L321 PolarHBondContact O-N 2.95Å; L321-Q323 VanDerWaalsContact C-N 3.27Å; L321-Q323 PolarHBondContact O-N 3.12Å
322S63Low57.8Low77 Ų77112 Ų11254%0.53867%0.666SS.*SBendtrans-81.1-0176.464.20000114.5F318 N319F318-S322 WeakPolarHBondContact O-CB 3.46Å; F318-S322 PolarHBondContact O-N 3.07Å; F318-S322 PolarHBondContact O-OG 3.46Å; N319-S322 WeakPolarHBondContact CA-OG 3.33Å; N319-S322 PolarHBondContact O-OG 3.18Å
323Q50.7Low56.1Low139 Ų139113.8 Ų113.865%0.6567%0.673SS**SBendtrans-95.9135.8172.7-62.8-168.520.200111L321 I325L321-Q323 VanDerWaalsContact C-N 3.27Å; L321-Q323 PolarHBondContact O-N 3.12Å; Q323-I325 PolarHBondContact O-N 3.1Å; Q323-I325 VanDerWaalsContact O-N 3.15Å
324P48.5Very low54Low124 Ų124119.4 Ų119.481%0.80569%0.69SS**  trans-67.3112.3-179-19.932.5000112.6
325I44.4Very low52.1Low148 Ų148119.6 Ų119.676%0.75970%0.697SS**  trans-87.3110.8169.9-59176.3000108.6Q323Q323-I325 PolarHBondContact O-N 3.1Å; Q323-I325 VanDerWaalsContact O-N 3.15Å
326L35.5Very low50.3Low162 Ų162118.6 Ų118.685%0.84871%0.712SS**  trans-131.5117.5171-73.3176.4000110.2
327G35.9Very low48.2Very low82 Ų82121.7 Ų121.785%0.84573%0.73SS**  trans163.372.7174.300000117.4
328A37.4Very low46.5Very low93 Ų93123.6 Ų123.677%0.76975%0.746SS**  trans-172.9100.9153.200000109.8
329V36.7Very low44.9Very low158 Ų158124.7 Ų124.796%0.95875%0.753SS**  66.6115104.4175.80000114.6
330G36Very low43.1Very low72 Ų72127.6 Ų127.674%0.74276%0.764SS**  trans-161-31.5-175.800000121.2
331S39.5Very low41.4Very low126 Ų126124.7 Ų124.788%0.88177%0.769SS**  trans68.5166.7178.1-96.40000117.5
332P38.7Very low39.8Very low112 Ų112123.1 Ų123.173%0.72777%0.765SS**  trans-131.8-170.4-138.640.4-22.2000116.1
333V36.9Very low38.7Very low119 Ų119128.9 Ų128.972%0.72178%0.784SS**  trans152.5114.3134.3160.80000113.7
334R35.9Very low38.1Very low210 Ų210132.6 Ų132.679%0.79279%0.791SS**  trans56.2159.3142-60.8179.975.6176.21119.8
335D36.1Very low37.5Very low124 Ų124136.3 Ų136.366%0.66379%0.79SS**  cis-161.3162.6-11.9-105.4-0.5000107.7
336G34.9Very low37.3Very low84 Ų84138.6 Ų138.687%0.86679%0.789SS**  trans121.8134.2157.300000116.7
337S36.2Very low37.6Very low123 Ų123139.7 Ų139.786%0.8679%0.789SS**  trans-141.7-166.5-170.173.90000111.7
338P40.3Very low37.8Very low111 Ų111146.3 Ų146.372%0.72180%0.795SS**  -126.7179.1-12636.1-14.4000116.9
339H37.7Very low37.9Very low168 Ų168145.7 Ų145.778%0.77880%0.797SS**  trans-150.1137.2153.6-90-73.9000107.8
340E34.7Very low37.8Very low158 Ų158144.9 Ų144.974%0.73879%0.793SS**  cis93.597.229.8-166.2-166-147.400114.7
341A38.2Very low37.8Very low96 Ų96152 Ų15279%0.79380%0.797SS**  trans-174.287.1155.700000108.7
342T38.8Very low37.9Very low99 Ų99156.3 Ų156.361%0.60780%0.796SS**  54.3103.485.9-60.70000115.2R344T342-R344 HydrophobicContact CG2-CG 4.46Å
343E39.1Very low37.7Very low199 Ų199160.1 Ų160.193%0.9380%0.796SS**  trans-139.1147.8132.6-144.5173.6-153.100111
344R38.2Very low38.2Very low216 Ų216160.5 Ų160.582%0.81580%0.798SS**  trans-114.7167.2-169-62.6167.9171143.6-4109.7T342T342-R344 HydrophobicContact CG2-CG 4.46Å
345R37Very low38.8Very low203 Ų203157.5 Ų157.577%0.76679%0.793SS**  159.7118.2117.6-172.1174.6-146.7-164.87.8116.8
346R39.3Very low39.6Very low196 Ų196156.5 Ų156.574%0.7479%0.794SS**  trans76.989148.4-72.9174.9177.4-178.6-4.6122.7
347Q41.4Very low40.8Very low185 Ų185158.7 Ų158.786%0.86478%0.784SS**  18.7126.6115.4-65.6173.9-40.900121.1
348K40.6Very low42.3Very low221 Ų221156 Ų15696%0.96176%0.762SS**  trans-174.8136.2130.9-103177.6-178.7-176.60107.9
349G39Very low43.6Very low79 Ų79155.8 Ų155.881%0.81476%0.759SS**  cis-163.3144.7-10.300000109.7
350T35.7Very low44.8Very low141 Ų141153.4 Ų153.487%0.86575%0.752SS**  trans-102.6155.4-166.849.60000113.8
351R36.7Very low46.3Very low221 Ų221150.6 Ų150.683%0.83474%0.739SS**  trans-161.199.8132.7-146.5170-170.3174.54.3114.4
352Y40Very low47.5Very low217 Ų217148.9 Ų148.985%0.85172%0.719SS**  trans-78.5158.5152.4-81-90.5000109.7
353R36.1Very low48.7Very low193 Ų193147.6 Ų147.673%0.72871%0.708SS**  trans-146.462.9173.6-161.7-176.4-172.5172.32.6112.3
354T46.6Very low49.6Very low127 Ų127144.5 Ų144.578%0.77970%0.697SS**PPolyproline II helixtrans-63.3136.7153.137.30000108.6
355Q47.9Very low50.4Low146 Ų146141.5 Ų141.568%0.68270%0.696SS**PPolyproline II helixtrans-79.7141.8171.8-64.8-78.834.500108.7
356P52.5Low51.3Low104 Ų104138.9 Ų138.968%0.67569%0.693SS**PPolyproline II helixtrans-69.8141.2165.931-32.9000109.4T358P356-T358 PolarHBondContact O-N 3.31Å
357I60.5Low51.5Low129 Ų129137.1 Ų137.166%0.66269%0.69SS**PPolyproline II helixtrans-57.8128.2169.8-64.4175.1000108.1E361 V362I357-E361 HydrophobicContact CG2-CB 3.73Å; I357-V362 HydrophobicContact CG2-CG2 3.9Å
358T68.6Low51.6Low66 Ų66131.1 Ų131.141%0.40568%0.678SS.*PPolyproline II helixtrans-77156.9-177.562.80000111.6P356 D360 E361 V362P356-T358 PolarHBondContact O-N 3.31Å; T358-D360 PolarHBondContact O-N 2.9Å; T358-E361 WeakPolarHBondContact CB-OE2 3.46Å; T358-E361 WeakPolarHBondContact CG2-OE2 3.39Å; T358-E361 PolarHBondContact N-OE2 3.08Å; T358-E361 PolarHBondContact O-N 3.04Å; T358-E361 VanDerWaalsContact O-N 3.1Å; T358-E361 VanDerWaalsContact OG1-CD 3.29Å; T358-E361 WeakPolarHBondContact OG1-CG 3.18Å; T358-E361 PolarHBondContact OG1-N 3.08Å; T358-E361 PolarHBondContact OG1-OE2 3.12Å; T358-V362 PolarHBondContact O-N 3.16Å; T358-V362 VanDerWaalsContact O-N 3.09Å
359V66.7Low51.7Low108 Ų108126.7 Ų126.766%0.65567%0.672SS**Hα-helixtrans-61.3-28.2177.6-1750000111.2V362 N363V359-V362 PolarHBondContact O-N 3.42Å; V359-N363 WeakPolarHBondContact O-CB 3.41Å; V359-N363 VanDerWaalsContact O-CG 3.27Å; V359-N363 PolarHBondContact O-N 3.49Å; V359-N363 PolarHBondContact O-ND2 3.46Å; V359-N363 VanDerWaalsContact O-ND2 3.1Å
360D63.9Low51.5Low117 Ų117128.3 Ų128.363%0.62667%0.666SS**Hα-helixtrans-72.4-36.3175.6-62.7-46.7000112.8T358 N363 L364T358-D360 PolarHBondContact O-N 2.9Å; D360-N363 PolarHBondContact O-N 2.88Å; D360-L364 WeakPolarHBondContact O-CD1 3.42Å; D360-L364 PolarHBondContact O-N 2.98Å
361E65.6Low51.5Low100 Ų100130.5 Ų130.547%0.46767%0.667SS.*Hα-helixtrans-67.4-36.8172.3-71.9161.3130.800111.7I357 T358 L364 L365I357-E361 HydrophobicContact CG2-CB 3.73Å; T358-E361 WeakPolarHBondContact CB-OE2 3.46Å; T358-E361 WeakPolarHBondContact CG2-OE2 3.39Å; T358-E361 PolarHBondContact N-OE2 3.08Å; T358-E361 PolarHBondContact O-N 3.04Å; T358-E361 VanDerWaalsContact O-N 3.1Å; T358-E361 VanDerWaalsContact OG1-CD 3.29Å; T358-E361 WeakPolarHBondContact OG1-CG 3.18Å; T358-E361 PolarHBondContact OG1-N 3.08Å; T358-E361 PolarHBondContact OG1-OE2 3.12Å; E361-L364 PolarHBondContact O-N 3.22Å; E361-L365 PolarHBondContact O-N 2.95Å
362V63.8Low51.3Low60 Ų60126.4 Ų126.436%0.36466%0.66SS.*Hα-helixtrans-66.5-43171-177.60000111.2I357 T358 V359 L364 L365 Q366I357-V362 HydrophobicContact CG2-CG2 3.9Å; T358-V362 PolarHBondContact O-N 3.16Å; T358-V362 VanDerWaalsContact O-N 3.09Å; V359-V362 PolarHBondContact O-N 3.42Å; V362-L364 VanDerWaalsContact C-N 3.27Å; V362-L364 PolarHBondContact O-N 3.45Å; V362-L365 PolarHBondContact O-N 2.81Å; V362-L365 VanDerWaalsContact O-N 3.14Å; V362-Q366 PolarHBondContact O-N 2.92Å; V362-Q366 VanDerWaalsContact O-N 3.15Å
363N64Low50.8Low71 Ų71121 Ų12138%0.3865%0.652SS.*Hα-helixtrans-65.7-25.2176.9-81.3-39.5000113.6V359 D360V359-N363 WeakPolarHBondContact O-CB 3.41Å; V359-N363 VanDerWaalsContact O-CG 3.27Å; V359-N363 PolarHBondContact O-N 3.49Å; V359-N363 PolarHBondContact O-ND2 3.46Å; V359-N363 VanDerWaalsContact O-ND2 3.1Å; D360-N363 PolarHBondContact O-N 2.88Å
364L57.6Low50.4Low135 Ų135122 Ų12271%0.70766%0.656SS**Hα-helixtrans-70.5-35.6172.1-110.271.1000111.9D360 E361 V362D360-L364 WeakPolarHBondContact O-CD1 3.42Å; D360-L364 PolarHBondContact O-N 2.98Å; E361-L364 PolarHBondContact O-N 3.22Å; V362-L364 VanDerWaalsContact C-N 3.27Å; V362-L364 PolarHBondContact O-N 3.45Å
365L54.6Low49.5Very low152 Ų152124.5 Ų124.580%0.79666%0.656SS**Hα-helixtrans-82.5-14.3179.5-68.2169.5000113.8E361 V362E361-L365 PolarHBondContact O-N 2.95Å; V362-L365 PolarHBondContact O-N 2.81Å; V362-L365 VanDerWaalsContact O-N 3.14Å
366Q55.4Low48.4Very low148 Ų148125.2 Ų125.269%0.69266%0.659SS**THydrogen-bonded Turntrans-96.47.4178.7-71.3-173.4-12.500114.5V362V362-Q366 PolarHBondContact O-N 2.92Å; V362-Q366 VanDerWaalsContact O-N 3.15Å
367K44.8Very low47.3Very low159 Ų159126.5 Ų126.569%0.69166%0.66SS**SBendtrans-98.6135.7169.3-70.4175.9-175.4171.80109.6
368G43.9Very low45.7Very low59 Ų59122.4 Ų122.461%0.60865%0.645SS**  trans-58.1168.8-176.400000113.9V370G368-V370 PolarHBondContact O-N 2.89Å
369P41.9Very low43.8Very low128 Ų128124.4 Ų124.483%0.83166%0.659SS**  trans-50114-162.919.6-33.6000112.3Q371P369-Q371 PolarHBondContact O-N 2.93Å
370V35.7Very low42.2Very low114 Ų114125.3 Ų125.369%0.69166%0.656SS**  trans-61111.6178.6176.40000108.1G368 L372G368-V370 PolarHBondContact O-N 2.89Å; V370-L372 VanDerWaalsContact C-N 3.25Å; V370-L372 HydrophobicContact CG1-CD2 4.4Å; V370-L372 PolarHBondContact O-N 2.84Å
371Q35.7Very low40.7Very low187 Ų187123.7 Ų123.787%0.87465%0.647SS**  trans-6790.7168.2-66.2-177.210.600107.8P369P369-Q371 PolarHBondContact O-N 2.93Å
372L31.1Very low39Very low135 Ų135122.3 Ų122.371%0.70765%0.648SS**  trans-54.8139.8167.4-68.1174.3000108.2V370 R374V370-L372 VanDerWaalsContact C-N 3.25Å; V370-L372 HydrophobicContact CG1-CD2 4.4Å; V370-L372 PolarHBondContact O-N 2.84Å; L372-R374 PolarHBondContact O-N 2.82Å
373P31Very low37.3Very low104 Ų104124.6 Ų124.668%0.67566%0.658SS**  trans-52.4143.5178.5-26.334.5000111F375P373-F375 PolarHBondContact O-N 2.82Å
374R27.1Very low35.7Very low214 Ų214130.6 Ų130.681%0.80868%0.676SS**  trans-54.9110.8167.2-89.7-177168148.1-3.7108.1L372 H376L372-R374 PolarHBondContact O-N 2.82Å; R374-H376 PolarHBondContact O-CD2 3.09Å; R374-H376 PolarHBondContact O-N 2.85Å
375F27.2Very low34.4Very low178 Ų178129.2 Ų129.278%0.78167%0.665SS**  trans-6689.8162.3-81.6-83000107.6P373 L377P373-F375 PolarHBondContact O-N 2.82Å; F375-L377 PolarHBondContact O-N 2.78Å
376H25.7Very low33.4Very low161 Ų161126.2 Ų126.275%0.74565%0.648SS**  trans-67.877.2161-74.4-87.8000107.7R374 A378R374-H376 PolarHBondContact O-CD2 3.09Å; R374-H376 PolarHBondContact O-N 2.85Å; H376-A378 PolarHBondContact O-N 3.26Å; H376-A378 VanDerWaalsContact O-N 3.12Å
377L29.1Very low32.2Very low132 Ų132123 Ų12369%0.69165%0.646SS**  trans-56.5115.4158.2-67.4175.2000106F375 L381F375-L377 PolarHBondContact O-N 2.78Å; L377-L381 HydrophobicContact CB-CD1 4.48Å; L377-L381 HydrophobicContact CD2-CD1 4.01Å
378A25.6Very low31.7Very low43 Ų43121.7 Ų121.736%0.35564%0.642SS.*  trans-60142.6175.100000108.6H376 H380 L381H376-A378 PolarHBondContact O-N 3.26Å; H376-A378 VanDerWaalsContact O-N 3.12Å; A378-H380 PolarHBondContact O-N 2.56Å; A378-L381 HydrophobicContact CB-CD1 4.47Å; A378-L381 HydrophobicContact CB-CG 4.49Å; A378-L381 PolarHBondContact O-N 3.31Å
379P30.2Very low31.1Very low107 Ų107121.5 Ų121.570%0.69563%0.631SS**THydrogen-bonded Turntrans-75.541.9-177.732.7-35.5000112.3
380H32.9Very low30.7Very low128 Ų128117.1 Ų117.159%0.59360%0.602SS**THydrogen-bonded Turntrans-144.34.5-174.9-39.5-48.2000111.2A378A378-H380 PolarHBondContact O-N 2.56Å
381L31.1Very low30.8Very low83 Ų83114.5 Ų114.544%0.43558%0.584SS.*SBendtrans-98.3-24.7-177.5-70.4174.1000113.2L377 A378L377-L381 HydrophobicContact CB-CD1 4.48Å; L377-L381 HydrophobicContact CD2-CD1 4.01Å; A378-L381 HydrophobicContact CB-CD1 4.47Å; A378-L381 HydrophobicContact CB-CG 4.49Å; A378-L381 PolarHBondContact O-N 3.31Å
382S29.9Very low30.8Very low70 Ų70108.7 Ų108.749%0.4956%0.559SS.*Hα-helixtrans-57.9-56.5173.8-44.40000110.5R384 Q385 Q386S382-R384 PolarHBondContact O-N 2.89Å; S382-Q385 PolarHBondContact O-N 3.2Å; S382-Q386 WeakPolarHBondContact O-CG 3.38Å; S382-Q386 PolarHBondContact O-N 3.3Å; S382-Q386 PolarHBondContact O-OE1 3.46Å
383D29.7Very low31.2Very low109 Ų109105.7 Ų105.758%0.58354%0.541SS*.Hα-helixtrans-54.5-35.9-172.4-39.9-23.2000112.5A387D383-A387 VanDerWaalsContact O-CB 3.23Å; D383-A387 WeakPolarHBondContact O-CB 3.29Å; D383-A387 PolarHBondContact O-N 2.92Å
384R29Very low31.2Very low197 Ų197102.1 Ų102.174%0.74352%0.517SS*.Hα-helixtrans-88.9-24.2-171.8-142.8173.4-170.8157.84.4114.5S382S382-R384 PolarHBondContact O-N 2.89Å
385Q31.1Very low31.5Very low105 Ų10595.3 Ų95.349%0.49150%0.502SS..Hα-helixtrans-90.5-26.8172.4-68.1-165.9-110.400112.2S382 S389S382-Q385 PolarHBondContact O-N 3.2Å; Q385-S389 WeakPolarHBondContact O-CB 3.39Å; Q385-S389 PolarHBondContact O-OG 2.81Å
386Q32.7Very low32Very low90 Ų9090.7 Ų90.742%0.42148%0.483SS..Hα-helixtrans-68.6-47.2171-68.8176.6-72.800110.9S382 E388 S389 T390S382-Q386 WeakPolarHBondContact O-CG 3.38Å; S382-Q386 PolarHBondContact O-N 3.3Å; S382-Q386 PolarHBondContact O-OE1 3.46Å; Q386-E388 PolarHBondContact O-N 2.71Å; Q386-S389 PolarHBondContact O-N 3.09Å; Q386-T390 PolarHBondContact O-N 3.2Å; Q386-T390 PolarHBondContact O-OG1 3.18Å
387A31.7Very low32.8Very low79 Ų7984.5 Ų84.565%0.65346%0.457SS*.THydrogen-bonded Turntrans-58.9-20.3-177.800000116.2D383D383-A387 VanDerWaalsContact O-CB 3.23Å; D383-A387 WeakPolarHBondContact O-CB 3.29Å; D383-A387 PolarHBondContact O-N 2.92Å
388E32.8Very low33.1Very low133 Ų13386.2 Ų86.262%0.62145%0.454SS*.THydrogen-bonded Turntrans-99.6-11.5175.8-66.5178.1174.400113.3Q386Q386-E388 PolarHBondContact O-N 2.71Å
389S32.5Very low33.7Very low54 Ų5489.6 Ų89.638%0.37847%0.465SS..THydrogen-bonded Turntrans-118.5-30.3-170-47.40000114.2Q385 Q386Q385-S389 WeakPolarHBondContact O-CB 3.39Å; Q385-S389 PolarHBondContact O-OG 2.81Å; Q386-S389 PolarHBondContact O-N 3.09Å
390T33.7Very low33.9Very low36 Ų3688.7 Ų88.722%0.22146%0.461CS..SBendtrans-102126.3177.556.90000110Q386Q386-T390 PolarHBondContact O-N 3.2Å; Q386-T390 PolarHBondContact O-OG1 3.18Å
391N37.9Very low33.9Very low59 Ų5986 Ų8632%0.31647%0.468SS..  trans68.940.9168.5-44.6-46000115.7K393 A963 D965N391-K393 PolarHBondContact O-N 2.88Å; N391-A963 PolarHBondContact ND2-O 2.84Å; N391-D965 HydrophobicContact CB-CB 3.84Å; N391-D965 VanDerWaalsContact CG-CB 3.43Å; N391-D965 PolarHBondContact OD1-N 3.19Å; N391-D965 VanDerWaalsContact OD1-N 3.14Å
392L34.7Very low34Very low66 Ų6689.3 Ų89.335%0.34649%0.486SS..  trans-59.6120157.7-75170.3000108.9V397 P908L392-V397 HydrophobicContact CB-CG2 4.15Å; L392-P908 HydrophobicContact CD1-CG 3.75Å
393K38.5Very low33.8Very low72 Ų7290.7 Ų90.731%0.31350%0.495SS..  trans-64.8139.7-172-54.7-179.8-161.4122.70110.7N391 S395 E396 V397N391-K393 PolarHBondContact O-N 2.88Å; K393-S395 PolarHBondContact O-N 3.08Å; K393-E396 HydrophobicContact CB-CB 4.1Å; K393-E396 HydrophobicContact CB-CG 4.04Å; K393-E396 HydrophobicContact CD-CG 4.2Å; K393-E396 WeakPolarHBondContact CD-OE2 3.5Å; K393-E396 WeakPolarHBondContact CE-OE2 3.41Å; K393-E396 HydrophobicContact CG-CG 4.44Å; K393-E396 VanDerWaalsContact CG-OE2 3.25Å; K393-E396 WeakPolarHBondContact CG-OE2 3.44Å; K393-E396 IonicContact NZ-OE1 2.78Å; K393-E396 PolarHBondContact NZ-OE1 3.14Å; K393-E396 IonicContact NZ-OE2 2.74Å; K393-E396 PolarHBondContact NZ-OE2 2.81Å; K393-E396 PolarHBondContact O-N 3.37Å; K393-V397 PolarHBondContact O-N 2.84Å
394P32.9Very low33.8Very low29 Ų2991.4 Ų91.419%0.18851%0.509CS..THydrogen-bonded Turntrans-50.3-28.3173.1-32.638.4000115.6A914P394-A914 HydrophobicContact CB-CB 3.86Å; P394-A914 HydrophobicContact CG-CB 4.44Å
395S32.1Very low33.8Very low70 Ų7088 Ų8849%0.4952%0.515SS..THydrogen-bonded Turntrans-81.1-30.3174.5490000114.1K393 L399K393-S395 PolarHBondContact O-N 3.08Å; S395-L399 WeakPolarHBondContact O-CG 3.36Å
396E38.5Very low33.7Very low81 Ų8189 Ų8938%0.37953%0.534SS..THydrogen-bonded Turntrans-83.4-30.7-171.8-75.3178.5158.100113.3K393 R398 L399 S400K393-E396 HydrophobicContact CB-CB 4.1Å; K393-E396 HydrophobicContact CB-CG 4.04Å; K393-E396 HydrophobicContact CD-CG 4.2Å; K393-E396 WeakPolarHBondContact CD-OE2 3.5Å; K393-E396 WeakPolarHBondContact CE-OE2 3.41Å; K393-E396 HydrophobicContact CG-CG 4.44Å; K393-E396 VanDerWaalsContact CG-OE2 3.25Å; K393-E396 WeakPolarHBondContact CG-OE2 3.44Å; K393-E396 IonicContact NZ-OE1 2.78Å; K393-E396 PolarHBondContact NZ-OE1 3.14Å; K393-E396 IonicContact NZ-OE2 2.74Å; K393-E396 PolarHBondContact NZ-OE2 2.81Å; K393-E396 PolarHBondContact O-N 3.37Å; E396-R398 PolarHBondContact O-N 3.46Å; E396-L399 CarbonylContact O-C 3.03Å; E396-L399 WeakPolarHBondContact O-CA 3.04Å; E396-L399 PolarHBondContact O-N 3.09Å; E396-S400 PolarHBondContact O-N 2.85Å; E396-S400 PolarHBondContact O-OG 3.23Å
397V42.5Very low33.7Very low31 Ų3190 Ų9019%0.18855%0.551CS.*THydrogen-bonded Turntrans-58.9-32176.3-178.10000111.7L392 K393 S400L392-V397 HydrophobicContact CB-CG2 4.15Å; K393-V397 PolarHBondContact O-N 2.84Å; V397-S400 PolarHBondContact O-OG 3.45Å
398R34.9Very low33.7Very low169 Ų16995 Ų9564%0.63856%0.56SS**THydrogen-bonded Turntrans-79.8-12.3174.3-67.7-171.7176.6102.53.9114.2E396E396-R398 PolarHBondContact O-N 3.46Å
399L37.7Very low33.6Very low114 Ų11496.3 Ų96.360%0.59757%0.571SS**THydrogen-bonded Turntrans-102-31.3179.5-65.6171.3000112.2S395 E396 G401 L402S395-L399 WeakPolarHBondContact O-CG 3.36Å; E396-L399 CarbonylContact O-C 3.03Å; E396-L399 WeakPolarHBondContact O-CA 3.04Å; E396-L399 PolarHBondContact O-N 3.09Å; L399-G401 PolarHBondContact O-N 3.38Å; L399-G401 VanDerWaalsContact O-N 3.14Å; L399-L402 PolarHBondContact O-N 3.42Å
400S35.1Very low33.6Very low87 Ų8799.4 Ų99.461%0.60859%0.593SS**G310 helixtrans-64.6-14.6179.548.20000114.7E396 V397 L402E396-S400 PolarHBondContact O-N 2.85Å; E396-S400 PolarHBondContact O-OG 3.23Å; V397-S400 PolarHBondContact O-OG 3.45Å; S400-L402 VanDerWaalsContact C-N 3.26Å; S400-L402 PolarHBondContact O-N 3.03Å
401G33.3Very low33.3Very low71 Ų71103.1 Ų103.173%0.73262%0.62SS**G310 helixtrans-73.7-8.7174.200000115.3L399L399-G401 PolarHBondContact O-N 3.38Å; L399-G401 VanDerWaalsContact O-N 3.14Å
402L32.3Very low33.3Very low154 Ų154105.2 Ų105.281%0.80664%0.637SS**G310 helixtrans-114.119.6-166.4-76168000115.9L399 S400L399-L402 PolarHBondContact O-N 3.42Å; S400-L402 VanDerWaalsContact C-N 3.26Å; S400-L402 PolarHBondContact O-N 3.03Å
403S26.1Very low33.2Very low99 Ų99110.2 Ų110.269%0.69266%0.658SS**  trans-156.294.9175.762.40000116.7
404S29Very low32.6Very low124 Ų124114.1 Ų114.187%0.86768%0.682SS**  trans-16477.9160.753.50000115.4
405S30.7Very low32.5Very low125 Ų125121.1 Ų121.187%0.87471%0.709SS**  trans-156.961.416357.90000114.1
406S28.6Very low32.3Very low126 Ų126124.1 Ų124.188%0.88172%0.719SS**  trans-139.9106.4174.146.70000113.8
407S32.2Very low31.8Very low111 Ų111125.8 Ų125.878%0.77674%0.735SS**  trans-140.1147.1165.249.90000106.8
408E32.9Very low31.1Very low183 Ų183129.8 Ų129.886%0.85576%0.76SS**  cis-150.4-175.814.3-141.4165.5-137.400111.3
409L29.4Very low30.8Very low161 Ų161128.6 Ų128.684%0.84377%0.766SS**  trans-78.7142.1-170.2-72.468.8000114
410S32.3Very low30.5Very low120 Ų120128.8 Ų128.884%0.83977%0.773SS**  -175.5152.3122.436.30000114.1
411S28.4Very low30.2Very low113 Ų113131.5 Ų131.579%0.7978%0.78SS**  trans-113.2176.1170.6-65.80000108.3
412P37Very low30Very low103 Ų103133.3 Ų133.367%0.66978%0.782SS**  cis-147.7-168.518.243.9-22.8000117.6
413H32.2Very low29.9Very low172 Ų172133.6 Ų133.680%0.79678%0.779SS**  trans6693.2152.8-64.7-43.6000121.8K415H413-K415 PolarHBondContact O-N 3.5Å
414L27.3Very low30Very low154 Ų154135.4 Ų135.481%0.80678%0.781SS**  14.8102.3108.1-100.7161.4000117.3
415K29.6Very low30Very low176 Ų176133.7 Ų133.777%0.76577%0.774SS**  173.2144.4102.4-93.7169.8-176.5175.90115.2H413H413-K415 PolarHBondContact O-N 3.5Å
416N28.4Very low29.9Very low132 Ų132134 Ų13471%0.70677%0.77SS**  trans61.6106.1145.3-71.123.8000122.5
417T28Very low30.3Very low116 Ų116136.4 Ų136.471%0.71277%0.767SS**  80.6137122.655.80000122.9
418T28.1Very low30.6Very low115 Ų115136 Ų13671%0.70676%0.762SS**  trans73.497148.3440000121
419N28.9Very low30.7Very low144 Ų144133.4 Ų133.477%0.7775%0.753SS**  84.2151.3121-75.61.4000122.6
420T30.5Very low30.8Very low119 Ų119134.8 Ų134.873%0.7375%0.752SS**  trans69.596.9155.938.90000119.2
421N28.9Very low30.8Very low144 Ų144132.5 Ų132.577%0.7775%0.747SS**  55.8136119.5-70.4-0.2000121.5
422S29.1Very low31.4Very low109 Ų109135.7 Ų135.776%0.76275%0.754SS**  trans73157.8145820000116.7
423Q30.3Very low31.1Very low160 Ų160137.9 Ų137.975%0.74876%0.759SS**  cis-157.9159.1-25.2-120.9177.91.900107.9
424N28.5Very low31.2Very low136 Ų136138.8 Ų138.873%0.72776%0.761SS**  trans58130.5145.8-62.4-17.9000121.4
425A27.8Very low31.4Very low88 Ų88140.5 Ų140.573%0.72776%0.762SS**  97.9115.2126.100000121.8
426V29.8Very low31.6Very low131 Ų131137 Ų13779%0.79476%0.759SS**  79.4100.3121.8175.40000118.9
427H36.1Very low31.5Very low177 Ų177135.7 Ų135.782%0.81976%0.76SS**  11171.4114.9-72.9-41.9000120.6
428P38.8Very low31.5Very low102 Ų102134.8 Ų134.866%0.66276%0.759SS**  cis-135.5-152.1-7.620.77.8000112.8
429I35.2Very low31.4Very low129 Ų129138.8 Ų138.866%0.66277%0.769SS**  trans109.2114.3143.2-68.9170.3000120.1
430K32.6Very low31.4Very low191 Ų191135.5 Ų135.583%0.8377%0.769SS**  trans42.3114.6148.2-56.6166.6-163167.80118.2
431G31.9Very low31.4Very low72 Ų72136.2 Ų136.274%0.74277%0.773SS**  cis88142.846.900000112.5
432I39.9Very low31.4Very low180 Ų180134.1 Ų134.192%0.92377%0.766SS**  trans-163.7149.4158.9-104.9152.9000112.5
433L31.7Very low31.5Very low148 Ų148138.2 Ų138.278%0.77576%0.764SS**  trans-64.8172175.7-109.857.6000112.7
434K33.9Very low31.3Very low192 Ų192139.3 Ų139.384%0.83576%0.762SS**  cis-164.5-163.336.1-145.8163.1-178.6-179.50112.9
435K32.4Very low31.4Very low190 Ų190136.8 Ų136.883%0.82675%0.754SS**  trans-96.3164.9-170.8-58.7-179.9175-176.30115.3
436S32Very low31.5Very low103 Ų103139 Ų13972%0.7275%0.754SS**  trans84.5132.3132.355.80000124
437S27.4Very low31.7Very low104 Ų104143 Ų14373%0.72776%0.755SS**  trans82.7139.9136.955.10000123.8
438S28.7Very low31.5Very low97 Ų97141.8 Ų141.868%0.67875%0.75SS**  trans67.9107.8147.456.10000121.9
439E26.1Very low31.3Very low199 Ų199146.4 Ų146.493%0.9375%0.754SS**  41.6129.5122-59.7-177.8137.200122.4
440G28.5Very low31.4Very low74 Ų74147.7 Ų147.776%0.76376%0.755SS**  trans94.1158155.600000116.7
441V30.6Very low31.5Very low134 Ų134143.9 Ų143.981%0.81274%0.743SS**  cis-150.8150.4-10.2129.80000110.3
442V28.4Very low31.8Very low101 Ų101146.9 Ų146.961%0.61274%0.742SS**  trans-20.6158.8166.8-156.60000119.5
443W30Very low31.4Very low195 Ų195144.6 Ų144.674%0.73973%0.731SS**  trans103.9143155-56.6119.4000116.9
444R27.2Very low31.5Very low183 Ų183140.7 Ų140.769%0.69173%0.727SS**  cis-170.6159.3-20.1-165.4-160.2-85.9-154.9-6.3108.4
445S29.7Very low31.4Very low82 Ų82139.3 Ų139.357%0.57372%0.723SS**  trans70.7155.2152-720000117.7
446D30.9Very low31.2Very low136 Ų136135.8 Ų135.873%0.72771%0.713SS**  cis-166176-18.2-102.3-35.9000109.6
447R33.2Very low31Very low215 Ų215137.1 Ų137.181%0.81171%0.711SS**  trans89.1106.2163-52.1-167.5-179.4165.22.5116
448E32.3Very low31Very low150 Ų150138.4 Ų138.470%0.70171%0.706SS**  70.9125.379.8-71.1-170.5168.100112
449R34.8Very low31Very low200 Ų200140 Ų14076%0.75570%0.703SS**  -169.1138.877-89.8-170.2179.7171.4-0.5110.4
450K36.2Very low31.1Very low156 Ų156137.6 Ų137.668%0.67870%0.697SS**  62.4143.5102.5-64.2-174129.9-66.90114.4
451D35.2Very low31.2Very low110 Ų110137.1 Ų137.159%0.58869%0.692SS**  cis-158.8165.22.1-95-17.1000105.5
452L38.9Very low31.1Very low135 Ų135139.6 Ų139.671%0.70769%0.691SS**  cis-158.9-154.94.7-122.1167.6000110.4
453N31.2Very low31.1Very low133 Ų133140.1 Ų140.171%0.71169%0.687SS**  trans-54.6166177.2-54.6-18.1000116.4
454G33Very low31Very low66 Ų66139.9 Ų139.968%0.6869%0.686SS**  cis122.8172.61.500000113.7
455H32.6Very low31.1Very low162 Ų162134.5 Ų134.575%0.7569%0.688SS**  trans66.6153.5171.7-75.8-71.2000117.4
456N28.1Very low31.1Very low117 Ų117137.3 Ų137.363%0.62669%0.692SS**  cis-171.1166-26.1-137.31.1000109
457L28.3Very low31Very low130 Ų130136.5 Ų136.568%0.68169%0.692SS**  trans63.4162.4152.9-94.167.7000117.4
458E27.1Very low30.6Very low132 Ų132133.9 Ų133.962%0.61769%0.689SS**  cis-164.8174.5-30.5-133.8-173129.700109.9
459Q29Very low30.4Very low129 Ų129131.8 Ų131.860%0.60369%0.686SS**  trans62.4128.4143.4-79.117437.800122.9
460N27.3Very low30.1Very low150 Ų150130.4 Ų130.480%0.80269%0.686SS**  trans67.6145.9142.4-52.6-27.4000118.2
461G30.8Very low29.7Very low64 Ų64130 Ų13066%0.6669%0.686SS**  cis-132.2-178200000112.1
462K27.9Very low29.3Very low186 Ų186130.9 Ų130.981%0.80969%0.687SS**  53.1133.961.7-79.3-171.1156.3-137.40112.5
463E29.1Very low28.7Very low112 Ų112133.7 Ų133.752%0.52369%0.688SS.*  cis-162161.913.1-139.8173.7-108.400111.1
464R28Very low28.5Very low189 Ų189132.1 Ų132.171%0.71369%0.687SS**  trans66.4153.1165.4-65.8157.1-169.3-82.2-2.1114.5E466R464-E466 IonicContact NH1-OE1 3.57Å; R464-E466 PolarHBondContact NH1-OE1 2.82Å; R464-E466 VanDerWaalsContact NH1-OE1 3.16Å
465G30.3Very low28.2Very low71 Ų71136.2 Ų136.273%0.73269%0.693SS**  cis113.615329.400000107.6
466E29.5Very low28Very low140 Ų140133.6 Ų133.665%0.65469%0.693SS**  cis-146.6169.17.4-99.8145.6-148.100108.7R464R464-E466 IonicContact NH1-OE1 3.57Å; R464-E466 PolarHBondContact NH1-OE1 2.82Å; R464-E466 VanDerWaalsContact NH1-OE1 3.16Å
467T27.3Very low28.1Very low120 Ų120134 Ų13474%0.73671%0.705SS**  trans-12.3151.9140.226.90000116.7
468E25.7Very low28.2Very low160 Ų160133.3 Ų133.375%0.74871%0.705SS**  cis-168.6146.534.8-134.1-179.3136.900111.9
469V27.5Very low28.4Very low105 Ų105133.9 Ų133.964%0.63671%0.713SS**  59.9155.2128.1156.60000122.7
470K30.1Very low28.5Very low171 Ų171135 Ų13574%0.74372%0.718SS**  trans75.8146.6164.7-90.8153.3-177.8179.90117.8
471E26.2Very low28.6Very low148 Ų148133.5 Ų133.569%0.69272%0.719SS**  cis-177.1157.5-36.4-115.1174.6149.300106
472E26.6Very low28.7Very low128 Ų128137 Ų13760%0.59873%0.73SS**  trans54.6130.4151.2-68.4-156.3149.800123.4
473R27.7Very low28.9Very low195 Ų195132.1 Ų132.174%0.73673%0.732SS**  trans76.597.1131.3-72.5177.3171.2130.46.6121.2
474S26.2Very low28.9Very low99 Ų99135.3 Ų135.369%0.69275%0.747SS**  100137.8100.275.60000121.5
475L27Very low29.1Very low153 Ų153133.9 Ų133.980%0.80175%0.752SS**  trans76.9108.7146.7-71.2163.4000121.6
476S27.3Very low29.1Very low107 Ų107136.1 Ų136.175%0.74876%0.757SS**  trans55.8119.3131670000121.8
477S31.2Very low29.3Very low125 Ų125132.6 Ų132.687%0.87476%0.758SS**  -163.1154.1104.959.90000112.5
478V30.9Very low29.7Very low115 Ų115131.1 Ų131.170%0.69776%0.758SS**  trans-92.6141.2-168.9174.40000112.2
479D31.7Very low30.6Very low144 Ų144128 Ų12877%0.7775%0.752SS**  trans179.2114131.4-94.9-20.3000111.9
480H30.2Very low30.8Very low154 Ų154133.1 Ų133.171%0.71376%0.76SS**  72.88689.1-80.793000116.5
481S30Very low30.8Very low117 Ų117133.9 Ų133.982%0.81876%0.758SS**  174.6134.3127.6-79.40000112.4
482P33.1Very low31.1Very low139 Ų139133.1 Ų133.190%0.90375%0.754SS**  trans-83.2143.5175.433.2-33.7000112.7
483G30.9Very low31.3Very low82 Ų82137.1 Ų137.185%0.84576%0.764SS**  trans-137.2130.4-178.100000113.2
484H30.1Very low31.5Very low180 Ų180133.8 Ų133.883%0.83377%0.765SS**  trans-112.1163.3-170.4-138.8-88.6000111.6
485L30.9Very low31.6Very low158 Ų158138.9 Ų138.983%0.82777%0.77SS**  trans77.3162.1171.4-48.4164.9000114.6
486S30.8Very low31.8Very low118 Ų118138 Ų13883%0.82576%0.759SS**  cis-167.716531.9-166.90000114.9
487G34.2Very low32Very low67 Ų67138.8 Ų138.869%0.69175%0.751SS**  trans121.296.1165.700000114.6
488A35.6Very low31.9Very low89 Ų89138.7 Ų138.774%0.73675%0.745SS**  cis6416319.700000114.3
489P44.2Very low31.9Very low93 Ų93137.3 Ų137.360%0.60474%0.741SS**  cis-118.4-168.72.312.815000113.2
490W31.7Very low32.2Very low213 Ų213139.6 Ų139.681%0.80774%0.744SS**  cis-160.1130.845.1-75.281.6000110.3
491R30.8Very low32.2Very low187 Ų187135.6 Ų135.671%0.70674%0.744SS**  72.3140.582.9-78.8-168.1-172.4-1178.3116.6
492Q31.5Very low32.3Very low132 Ų132140.8 Ų140.862%0.61775%0.746SS**  cis-175.7167.5-9.4-158.6170.910.500112.6
493R31.6Very low32.1Very low213 Ų213138.8 Ų138.880%0.80473%0.731SS**  trans90.6120.3162.7-62.4178.6173.3167.7-2116.6
494T31.9Very low32Very low124 Ų124145 Ų14576%0.76173%0.729SS**  75.51415272.50000113.9
495R28.8Very low32.1Very low207 Ų207148.3 Ų148.378%0.78173%0.734SS**  cis-171.7161.233.5-160.2-176.4174.6-172.92.6113.1
496K29.6Very low31.9Very low135 Ų135145 Ų14559%0.58773%0.725SS**  trans75.3158.4148.1-107.8171.1169.1-130.90117.1
497E32.3Very low31.8Very low122 Ų122144.2 Ų144.257%0.5773%0.725SS**  cis-154.6140.611.7-168.4124.4-137.600114.2
498T29.8Very low31.5Very low124 Ų124146.5 Ų146.576%0.76173%0.727SS**  trans57.6161.5154.446.10000120.7
499S30.5Very low31.5Very low85 Ų85149.5 Ų149.559%0.59473%0.731SS**  cis-179158.9-26.555.10000107
500F37.2Very low30.8Very low193 Ų193149.2 Ų149.285%0.84673%0.729SS**  cis-114.6170.96.3-74.2-112.8000108.6
501G30.3Very low30.8Very low69 Ų69146.8 Ų146.871%0.71173%0.727SS**  cis78.6146.835.400000110.3
502R31.8Very low30.5Very low227 Ų227146.1 Ų146.186%0.85773%0.732SS**  cis-174.4161.48-138-167165.4-175.7-5.7105.4
503T28.7Very low30.3Very low96 Ų96148 Ų14859%0.58974%0.74SS**  cis-156.8130.55.6-24.60000104.7
504R29.5Very low30Very low214 Ų214145.3 Ų145.381%0.80874%0.741SS**  43.8110.488.4-107.9-171.3-175.9-159.73.8114.5
505R32.8Very low29.7Very low248 Ų248149.1 Ų149.194%0.93674%0.743SS**  -130.8126.6113.1-65.9-172.8-178.5-174.60.6106.1
506S25.9Very low29.5Very low90 Ų90146.2 Ų146.263%0.62974%0.742SS**  cis80.585.521.791.60000115.8
507A30Very low29.4Very low100 Ų100144.5 Ų144.583%0.82675%0.747SS**  trans-126.2162149.100000107.9
508P26.9Very low29.2Very low115 Ų115147.7 Ų147.775%0.74776%0.762SS**  trans-118.4174.6-155.941.2-30.8000116
509N36.3Very low29.1Very low152 Ų152147.9 Ų147.981%0.81376%0.763SS**  trans-46.7146153.2-8246.3000111
510P29.1Very low29.1Very low87 Ų87151.7 Ų151.757%0.56578%0.775SS**  -145.2-166.3105.535.9-18.2000113.5
511E31.4Very low28.8Very low163 Ų163150.6 Ų150.676%0.76277%0.773SS**  trans63.6133.6164.8-69.9120.1-133.800117.7
512E25Very low29Very low172 Ų172155.4 Ų155.480%0.80478%0.781SS**  cis82.299.425.3-57.3-168.3155.400116.9
513H26.3Very low28.9Very low171 Ų171149.4 Ų149.479%0.79277%0.77SS**  trans59.4161145-79.6-94.5000121.8
514L26.5Very low29Very low158 Ų158152.2 Ų152.283%0.82778%0.776SS**  trans75.9161.9168.8-48.3177000117
515Y24.2Very low29.2Very low203 Ų203148.9 Ų148.980%0.79677%0.77SS**  -177.9158.7-54.2-132.9-83.6000106.3
516L26.4Very low29.2Very low147 Ų147142.7 Ų142.777%0.7776%0.764SS**  trans68.7160.8169.7-56.1169.2000116.6
517S27.2Very low29.5Very low98 Ų98142.1 Ų142.169%0.68577%0.773SS**  cis151.2124.9-37.3-85.50000109.3
518E28.6Very low29.5Very low190 Ų190145.2 Ų145.289%0.88878%0.775SS**  trans-168.2100.2147.5-109.4169-176.900106.7
519V27.6Very low29.6Very low127 Ų127144.6 Ų144.677%0.7777%0.773SS**  80.8113.270.8170.40000112.9
520L30.7Very low29.3Very low165 Ų165141.6 Ų141.686%0.86477%0.77SS**  trans-164.1101.1133-106.6170.7000109.4
521Q29.1Very low29.5Very low171 Ų171144.9 Ų144.980%0.79978%0.781SS**  trans-99.3148.8165.8-76.8179.8-51.100109.7
522I34.4Very low29.3Very low170 Ų170141.4 Ų141.487%0.87278%0.781SS**  trans-129.4138.8150.1-61.8-177.7000106.2
523T31.5Very low29.6Very low101 Ų101139.3 Ų139.362%0.6278%0.775SS**  trans-119.9-177.4-164.4-45.10000110.1
524E30.4Very low29.8Very low154 Ų154140.9 Ų140.972%0.7277%0.774SS**  trans96.5141.4154.4-48.5-142.2129.200118.3
525Q32.5Very low30.1Very low145 Ų145140.6 Ų140.668%0.67877%0.772SS**  cis-164.1154.2-19.7-112.6-159.854.100110.3
526S32.6Very low30.5Very low118 Ų118136.8 Ų136.883%0.82577%0.77SS**  trans65.9152.5150.874.80000120.4
527G32.3Very low30.6Very low78 Ų78136.8 Ų136.880%0.80477%0.771SS**  trans15268.2170.600000115.9
528D30.8Very low30.8Very low165 Ų165137.2 Ų137.288%0.88277%0.774SS**  trans-71168.6-179.3-81.3-61.9000115.9
529S29.8Very low31Very low101 Ų101138.7 Ų138.771%0.70677%0.771SS**  trans85.288.2146.4-177.40000120.5
530A29.1Very low31.2Very low90 Ų90137.9 Ų137.974%0.74477%0.767SS**  57.5173.5112.400000122.1
531I33.1Very low31.1Very low155 Ų155137 Ų13780%0.79576%0.756SS**  trans70.498.4177-46.5173.6000112.4
532A28.5Very low31.2Very low91 Ų91135.1 Ų135.175%0.75275%0.747SS**  80.3138.453.800000115.9
533D30.4Very low31.1Very low128 Ų128134.7 Ų134.768%0.68474%0.742SS**  trans80.8130.1161.7-118.824.3000121.3
534R31.2Very low31.1Very low203 Ų203138 Ų13877%0.76675%0.75SS**  trans82.399150.2-63.9168.8-158.9-152.3-1.7122.5
535L31.5Very low31Very low152 Ų152137.5 Ų137.580%0.79675%0.748SS**  33.8110.6100.3-63.1165.2000117.9
536T32.1Very low31Very low124 Ų124137.4 Ų137.476%0.76175%0.745SS**  168.7144.596.136.30000113.8
537N30.3Very low30.9Very low147 Ų147140.3 Ų140.379%0.78675%0.746SS**  trans19.6127.1142.4-61-10.1000118.3
538S31.2Very low30.7Very low106 Ų106140.3 Ų140.374%0.74175%0.746SS**  cis159.9162.82847.30000111.2
539R31.4Very low30.7Very low221 Ų221137.5 Ų137.583%0.83475%0.746SS**  trans78.5137.9143.8-139.1-164.1179.6141.50.3119.7
540T32.1Very low30.6Very low110 Ų110138.9 Ų138.968%0.67575%0.75SS**  trans64.8144.2155.434.70000118.1
541K29.7Very low30.6Very low148 Ų148139.8 Ų139.864%0.64376%0.758SS**  cis-173152.2-14.7-140.2173.9176.3-109.20106.2
542E31.5Very low30.4Very low130 Ų130140.7 Ų140.761%0.60776%0.755SS**  trans62.3161.2161.6-69.3136-173.500115.5
543E31.5Very low30.4Very low161 Ų161142.6 Ų142.675%0.75276%0.762SS**  cis-156.1172.2-22.3-115.7166.7174.300108.9
544E31.6Very low30.4Very low172 Ų172143 Ų14380%0.80476%0.764SS**  trans53.5111.9157.3-67.7-171.3153.600122.8
545E28.2Very low30.3Very low143 Ų143140.6 Ų140.667%0.66877%0.765SS**  59.5103115-149.5-154-153.300120.9
546K32.9Very low30.2Very low143 Ų143139 Ų13962%0.62277%0.767SS**  174134.7110-93.1172-156.872.70116
547Q29.4Very low30Very low178 Ų178144.6 Ų144.683%0.83277%0.774SS**  trans49118.8133.5-58166.1-5.800121
548G29.4Very low30Very low78 Ų78143.3 Ų143.380%0.80478%0.776SS**  trans169.1125.9152.100000118.4
549A29.7Very low30.1Very low107 Ų107143.8 Ų143.888%0.88478%0.78SS**  trans6388.4155.400000120.3
550T27.4Very low30.1Very low129 Ų129141.8 Ų141.879%0.79178%0.78SS**  trans-82.9122.615545.80000110.7K552T550-K552 PolarHBondContact O-N 2.86Å
551A30Very low30.3Very low110 Ų110141.5 Ų141.591%0.90978%0.78SS**  trans-88.5102.1172.400000110.4
552K28.9Very low30.2Very low173 Ų173142.9 Ų142.975%0.75279%0.789SS**  trans-93.1118.4172.6-67.6-174.8177.6-174.30110.4T550T550-K552 PolarHBondContact O-N 2.86Å
553C28.7Very low30.2Very low131 Ų131143.5 Ų143.589%0.88580%0.796SS**  trans-90.3106.5165.7-163.30000109.2
554N29.3Very low30.1Very low137 Ų137145.4 Ų145.473%0.73381%0.805SS**  trans-92.8135.1178.4-88.2-6.4000111.3
555I29Very low29.9Very low153 Ų153142.6 Ų142.679%0.78581%0.805SS**  trans-61.8150.7170.9-63164.7000110.6
556S30.5Very low30.1Very low119 Ų119142.9 Ų142.983%0.83282%0.815SS**  trans-141127.6162.9-72.90000110.9
557R27.7Very low29.7Very low240 Ų240141.4 Ų141.491%0.90682%0.823SS**  trans-128.1121.6179.7-95.6-173171-172.2-1.6110.3
558S29.1Very low29.8Very low120 Ų120137.4 Ų137.484%0.83982%0.821SS**  trans178.2146.8161.447.10000108.7
559S33.2Very low29.7Very low117 Ų117140.2 Ų140.282%0.81882%0.822SS**  cis-155.8155.40.546.80000112.6
560E32Very low29.7Very low178 Ų178143.8 Ų143.883%0.83282%0.82SS**  trans-49.7179.6164.1-78.7175177.800117.2
561P36.2Very low29.7Very low105 Ų105142.9 Ų142.968%0.68282%0.819SS**  cis-138.1176.7-24.529.6-9000114.5
562Q29Very low29.7Very low177 Ų177145.1 Ų145.183%0.82781%0.814SS**  161.9156.2116.7-81-144.7-9100113.7
563D29.8Very low29.7Very low143 Ų143141.5 Ų141.577%0.76581%0.809SS**  trans-74.9154.7-163.7-41.9-95.7000116.5
564E30.9Very low29.7Very low201 Ų201144.1 Ų144.194%0.93981%0.808SS**  -152.5151.4112.3-127.4178.7-152.300111.4
565S27.1Very low29.8Very low113 Ų113143.9 Ų143.979%0.7981%0.811SS**  trans-109.1142-163.258.30000114.8
566V31.5Very low29.8Very low148 Ų148144.6 Ų144.690%0.89781%0.811SS**  trans-132.3115.9163.6-178.80000109
567S25.9Very low29.8Very low112 Ų112142 Ų14278%0.78379%0.793SS**  trans-87.9120.718046.30000112.1
568A31.2Very low29.9Very low94 Ų94136.6 Ų136.678%0.77777%0.772SS**  trans-108.5120.2164.100000108.6
569V27.2Very low29.7Very low138 Ų138137.9 Ų137.984%0.83677%0.765SS**  trans-95.5100.2176.6178.50000108.2
570E30.1Very low29.5Very low182 Ų182135.8 Ų135.885%0.8575%0.749SS**  trans-77.5129.1168.5-71.4-161.4131.700110.7I572E570-I572 PolarHBondContact O-N 3.08Å
571S26.8Very low29.7Very low110 Ų110132.7 Ų132.777%0.76974%0.741SS**  trans-88.4106.2-175.154.60000111
572I30.2Very low29.8Very low156 Ų156135.3 Ų135.380%0.874%0.743SS**  trans-55.6123.3173-57.4171.2000109.7E570E570-I572 PolarHBondContact O-N 3.08Å
573P29.3Very low29.8Very low98 Ų98131 Ų13164%0.63673%0.732SS**  trans-70.4137.6174.629-33.6000110.8T575P573-T575 PolarHBondContact O-N 2.79Å; P573-T575 VanDerWaalsContact O-N 3.13Å
574Q27.7Very low29.7Very low186 Ų186129 Ų12987%0.86973%0.729SS**  trans-75.6103.4-179.4-69.8-173.9-43.700111.4Q576Q574-Q576 PolarHBondContact O-N 3.39Å; Q574-Q576 VanDerWaalsContact O-N 3.13Å
575T31.5Very low29.9Very low131 Ų131125 Ų12580%0.80472%0.718SS**  trans-57.4113.1169.650.10000110.7P573 C577P573-T575 PolarHBondContact O-N 2.79Å; P573-T575 VanDerWaalsContact O-N 3.13Å; T575-C577 PolarHBondContact O-N 3.3Å
576Q29.5Very low30.1Very low168 Ų168130.7 Ų130.779%0.78572%0.724SS**PPolyproline II helixtrans-75.7117.8-178.6-62.1-172.612.600111.2Q574Q574-Q576 PolarHBondContact O-N 3.39Å; Q574-Q576 VanDerWaalsContact O-N 3.13Å
577C30.9Very low30.1Very low65 Ų65129.2 Ų129.244%0.43972%0.72SS.*PPolyproline II helixtrans-55.9140.4-174.1-57.70000114.2T575 K1311 R1454T575-C577 PolarHBondContact O-N 3.3Å; C577-K1311 HydrophobicContact CB-CD 4.39Å; C577-R1454 PolarHBondContact O-NH2 3.22Å
578W28.2Very low30.2Very low126 Ų126135.7 Ų135.748%0.47773%0.727SS.*PPolyproline II helixtrans-70.3147.3166.1-65.789.5000111.4
579E25.1Very low30.1Very low148 Ų148136.7 Ų136.769%0.69273%0.728SS**PPolyproline II helixtrans-100123.5166.2-82.4-165.6123.400109.8V581E579-V581 PolarHBondContact O-N 2.93Å
580P30.4Very low30.3Very low73 Ų73138.2 Ų138.247%0.47473%0.732SS.*PPolyproline II helixtrans-69128.1177.1-19.132.3000111.8F582 S583P580-F582 PolarHBondContact O-N 3.12Å; P580-S583 PolarHBondContact O-N 2.91Å; P580-S583 PolarHBondContact O-OG 3.37Å
581V36Very low30.3Very low112 Ų112134.7 Ų134.768%0.67973%0.728SS**THydrogen-bonded Turntrans-62.7-11.8-179.7178.70000113.1E579E579-V581 PolarHBondContact O-N 2.93Å
582F37.5Very low30.8Very low161 Ų161136 Ų13671%0.70673%0.731SS**THydrogen-bonded Turntrans-96.6-2.3178.9-72-72.4000116P580 S584P580-F582 PolarHBondContact O-N 3.12Å; F582-S584 VanDerWaalsContact C-N 3.32Å; F582-S584 PolarHBondContact O-N 2.83Å
583S29.4Very low31Very low85 Ų85131.5 Ų131.559%0.59471%0.712SS**THydrogen-bonded Turntrans-85.915.1-174.466.20000116P580P580-S583 PolarHBondContact O-N 2.91Å; P580-S583 PolarHBondContact O-OG 3.37Å
584S28.4Very low31.3Very low103 Ų103132.5 Ų132.572%0.7271%0.708SS**THydrogen-bonded Turntrans-97.63.9-170.259.80000116.2F582F582-S584 VanDerWaalsContact C-N 3.32Å; F582-S584 PolarHBondContact O-N 2.83Å
585V33.4Very low32.1Very low115 Ų115129.8 Ų129.870%0.69769%0.691SS**SBendtrans-136.366.1178.5-165.30000112.9
586Y32.1Very low33.1Very low234 Ų234127.2 Ų127.292%0.91868%0.675SS**SBendtrans-166.2141.7139.1-86.3-55.4000109.3
587S31.8Very low34.1Very low116 Ų116124.9 Ų124.981%0.81167%0.665SS**  trans-98.3151.4-156.250.10000116.2S589S587-S589 PolarHBondContact O-N 3.46Å
588R26.8Very low35.4Very low249 Ų249124.1 Ų124.194%0.9466%0.66SS**  trans-52.9123.8173.4-59.1169.1177.1166.9-2.8112.2
589S30.6Very low37.3Very low114 Ų114122.8 Ų122.880%0.79766%0.658SS**  trans-176.3157.6141.847.90000112.8S587 S591S587-S589 PolarHBondContact O-N 3.46Å; S589-S591 PolarHBondContact O-N 2.9Å
590N30Very low39.6Very low170 Ų170118.3 Ų118.391%0.90964%0.639SS**SBendtrans-86.298.7-171.4-70.5-11.9000113.8
591S31.1Very low41Very low109 Ų109122.4 Ų122.476%0.76265%0.652SS**  trans179.9116.3132.957.80000111.3S589S589-S591 PolarHBondContact O-N 2.9Å
592T37.5Very low42.3Very low138 Ų138128.8 Ų128.885%0.84766%0.663SS**  trans-84.2124.1-177.5-24.60000111.6
593P34.2Very low44.1Very low61 Ų61124 Ų12440%0.39665%0.649SS.*  trans-71.6140165.9-7.824.1000109.7Y595 E610P593-Y595 HydrophobicContact CB-CD2 4.29Å; P593-Y595 HydrophobicContact CB-CE2 3.71Å; P593-Y595 HydrophobicContact CG-CE2 4.05Å; P593-Y595 PolarHBondContact O-N 3.11Å; P593-E610 HydrophobicContact CB-CG 4.25Å
594Q35.8Very low45.5Very low118 Ų118126.7 Ų126.755%0.55166%0.657SS**  trans-86.1109.8173.2-67.2-160.6-59.800110V611Q594-V611 PolarHBondContact O-N 3.25Å
595Y43.9Very low46.8Very low129 Ų129123.6 Ų123.651%0.50664%0.635SS.*EExtended strand (participates in β ladder)trans-93.5136.3167.6-67.1-92.2000110P593 A608 Q609 E610P593-Y595 HydrophobicContact CB-CD2 4.29Å; P593-Y595 HydrophobicContact CB-CE2 3.71Å; P593-Y595 HydrophobicContact CG-CE2 4.05Å; P593-Y595 PolarHBondContact O-N 3.11Å; Y595-A608 HydrophobicContact CD1-CB 4.19Å; Y595-Q609 CarbonylContact C-O 3Å; Y595-Q609 WeakPolarHBondContact CA-O 3.25Å; Y595-E610 HydrophobicContact CD1-CB 3.95Å; Y595-E610 HydrophobicContact CD1-CG 4.38Å; Y595-E610 HydrophobicContact CE1-CB 3.63Å; Y595-E610 HydrophobicContact CE1-CG 3.93Å
596V51.6Low48.5Very low78 Ų78125.3 Ų125.347%0.47363%0.63SS.*EExtended strand (participates in β ladder)trans-101.8133.8166.21720000108Q609 V611V596-Q609 PolarHBondContact N-O 2.81Å; V596-Q609 PolarHBondContact O-N 3.19Å; V596-V611 HydrophobicContact CB-CG2 4.08Å; V596-V611 HydrophobicContact CG2-CG2 3.63Å
597M51.7Low50.3Low119 Ų119119 Ų11959%0.58661%0.609SS**EExtended strand (participates in β ladder)trans-87.2107.4175.3-73.3-71.8-86.200109.2Y606 A608M597-Y606 HydrophobicContact CB-CD1 4.44Å; M597-Y606 HydrophobicContact CE-CG 4.35Å; M597-A608 HydrophobicContact SD-CB 3.76Å
598C58.3Low51.6Low48 Ų48116.6 Ų116.632%0.32460%0.596SS.*EExtended strand (participates in β ladder)trans-92.9134.2177.5-63.10000109.4Y606 E607 Q609C598-Y606 CarbonylContact O-C 3.56Å; C598-Y606 VanDerWaalsContact O-CA 3.32Å; C598-Y606 WeakPolarHBondContact O-CA 3.2Å; C598-E607 PolarHBondContact N-O 3.03Å; C598-E607 PolarHBondContact O-N 3.02Å; C598-Q609 PolarHBondContact SG-OE1 2.96Å
599F67.3Low52.8Low99 Ų99110.8 Ų110.843%0.43458%0.579SS.*EExtended strand (participates in β ladder)trans-81.5122.1171.6-177.4-108.8000109.8E601 L604 Y606F599-E601 HydrophobicContact CD1-CG 3.85Å; F599-E601 HydrophobicContact CE1-CB 4.41Å; F599-E601 HydrophobicContact CE1-CG 3.93Å; F599-L604 HydrophobicContact CZ-CD2 4.04Å; F599-Y606 HydrophobicContact CB-CD1 4.07Å; F599-Y606 HydrophobicContact CB-CE1 3.81Å; F599-Y606 HydrophobicContact CD2-CD1 4.27Å; F599-Y606 HydrophobicContact CD2-CD2 4.32Å; F599-Y606 AromaticContact CD2-CE1 3.97Å; F599-Y606 HydrophobicContact CD2-CE1 3.97Å; F599-Y606 HydrophobicContact CD2-CE2 4.02Å; F599-Y606 HydrophobicContact CD2-CG 4.44Å; F599-Y606 AromaticContact CD2-CZ 3.83Å; F599-Y606 HydrophobicContact CG-CE1 4.34Å
600N73.5Confident53.9Low53 Ų53110.6 Ų110.628%0.28357%0.566SS.*EExtended strand (participates in β ladder)trans-94.798.7175.1-174.3-10.5000109.9R602 S603 L604 S605 E607N600-R602 PolarHBondContact O-N 3Å; N600-R602 VanDerWaalsContact O-N 3.17Å; N600-R602 PolarHBondContact OD1-N 2.62Å; N600-R602 VanDerWaalsContact OD1-N 3.15Å; N600-S603 WeakPolarHBondContact CB-OG 3.3Å; N600-S603 PolarHBondContact ND2-OG 3.39Å; N600-S603 PolarHBondContact O-N 2.67Å; N600-S603 VanDerWaalsContact O-N 3.13Å; N600-S603 PolarHBondContact O-OG 3.49Å; N600-L604 PolarHBondContact O-N 3.28Å; N600-S605 WeakPolarHBondContact CB-O 3.08Å; N600-S605 PolarHBondContact N-O 3.33Å; N600-E607 PolarHBondContact ND2-OE1 3.13Å
601E60.2Low54.9Low160 Ų160105.5 Ų105.575%0.74854%0.541SS*.THydrogen-bonded Turntrans-56.5-29.9-179.5-60.7179.9150.200113.2F599 S603F599-E601 HydrophobicContact CD1-CG 3.85Å; F599-E601 HydrophobicContact CE1-CB 4.41Å; F599-E601 HydrophobicContact CE1-CG 3.93Å; E601-S603 VanDerWaalsContact C-N 3.34Å; E601-S603 PolarHBondContact O-N 3.05Å
602R62.8Low55.3Low246 Ų246105.1 Ų105.193%0.92854%0.538SS*.THydrogen-bonded Turntrans-77.2-15.9-179.1-76.9-176.7169.7167.7-0.7114.5N600N600-R602 PolarHBondContact O-N 3Å; N600-R602 VanDerWaalsContact O-N 3.17Å; N600-R602 PolarHBondContact OD1-N 2.62Å; N600-R602 VanDerWaalsContact OD1-N 3.15Å
603S74.8Confident55.2Low59 Ų59105.8 Ų105.841%0.41353%0.529SS..THydrogen-bonded Turntrans-126.2-0.9-178.955.60000113.8N600 E601 S605N600-S603 WeakPolarHBondContact CB-OG 3.3Å; N600-S603 PolarHBondContact ND2-OG 3.39Å; N600-S603 PolarHBondContact O-N 2.67Å; N600-S603 VanDerWaalsContact O-N 3.13Å; N600-S603 PolarHBondContact O-OG 3.49Å; E601-S603 VanDerWaalsContact C-N 3.34Å; E601-S603 PolarHBondContact O-N 3.05Å; S603-S605 PolarHBondContact O-N 2.83Å; S603-S605 PolarHBondContact OG-OG 2.94Å
604L58.8Low55.2Low142 Ų142109.2 Ų109.274%0.74355%0.549SS*.THydrogen-bonded Turntrans50.942-176.1-57.4175.8000111.8F599 N600F599-L604 HydrophobicContact CZ-CD2 4.04Å; N600-L604 PolarHBondContact O-N 3.28Å
605S56.2Low54.9Low38 Ų38110 Ų11027%0.26656%0.563SS.*EExtended strand (participates in β ladder)trans-137.4145.3-176.462.80000111.5N600 S603N600-S605 WeakPolarHBondContact CB-O 3.08Å; N600-S605 PolarHBondContact N-O 3.33Å; S603-S605 PolarHBondContact O-N 2.83Å; S603-S605 PolarHBondContact OG-OG 2.94Å
606Y69.5Low54.3Low152 Ų152112.8 Ų112.860%0.59658%0.58SS**EExtended strand (participates in β ladder)trans-80.4139.7166.2-67-88.2000110.7M597 C598 F599M597-Y606 HydrophobicContact CB-CD1 4.44Å; M597-Y606 HydrophobicContact CE-CG 4.35Å; C598-Y606 CarbonylContact O-C 3.56Å; C598-Y606 VanDerWaalsContact O-CA 3.32Å; C598-Y606 WeakPolarHBondContact O-CA 3.2Å; F599-Y606 HydrophobicContact CB-CD1 4.07Å; F599-Y606 HydrophobicContact CB-CE1 3.81Å; F599-Y606 HydrophobicContact CD2-CD1 4.27Å; F599-Y606 HydrophobicContact CD2-CD2 4.32Å; F599-Y606 AromaticContact CD2-CE1 3.97Å; F599-Y606 HydrophobicContact CD2-CE1 3.97Å; F599-Y606 HydrophobicContact CD2-CE2 4.02Å; F599-Y606 HydrophobicContact CD2-CG 4.44Å; F599-Y606 AromaticContact CD2-CZ 3.83Å; F599-Y606 HydrophobicContact CG-CE1 4.34Å
607E69Low53.3Low101 Ų101113.4 Ų113.447%0.47259%0.593SS.*EExtended strand (participates in β ladder)trans-121.8136.7172.7-70.9176.9-143.200109.4C598 N600C598-E607 PolarHBondContact N-O 3.03Å; C598-E607 PolarHBondContact O-N 3.02Å; N600-E607 PolarHBondContact ND2-OE1 3.13Å
608A59.5Low52.2Low65 Ų65116.9 Ų116.954%0.53761%0.608SS.*EExtended strand (participates in β ladder)trans-89.2122.8-179.900000110.4Y595 M597Y595-A608 HydrophobicContact CD1-CB 4.19Å; M597-A608 HydrophobicContact SD-CB 3.76Å
609Q52.5Low51Low127 Ų127119.4 Ų119.459%0.59362%0.624SS**EExtended strand (participates in β ladder)trans-119.6124.9-176.5-161.1169.215.100110.6Y595 V596 C598Y595-Q609 CarbonylContact C-O 3Å; Y595-Q609 WeakPolarHBondContact CA-O 3.25Å; V596-Q609 PolarHBondContact N-O 2.81Å; V596-Q609 PolarHBondContact O-N 3.19Å; C598-Q609 PolarHBondContact SG-OE1 2.96Å
610E53.3Low49.1Very low110 Ų110123.5 Ų123.551%0.51464%0.644SS.*EExtended strand (participates in β ladder)trans-77.7128.3-175.2-162178.9166.800111.7P593 Y595P593-E610 HydrophobicContact CB-CG 4.25Å; Y595-E610 HydrophobicContact CD1-CB 3.95Å; Y595-E610 HydrophobicContact CD1-CG 4.38Å; Y595-E610 HydrophobicContact CE1-CB 3.63Å; Y595-E610 HydrophobicContact CE1-CG 3.93Å
611V50.3Low46.9Very low64 Ų64126.9 Ų126.939%0.38867%0.666SS.*  trans-106.588.1-174.4-174.20000111.5Q594 V596 K613Q594-V611 PolarHBondContact O-N 3.25Å; V596-V611 HydrophobicContact CB-CG2 4.08Å; V596-V611 HydrophobicContact CG2-CG2 3.63Å; V611-K613 PolarHBondContact O-N 3.25Å; V611-K613 VanDerWaalsContact O-N 3.11Å
612S39.8Very low45.3Very low100 Ų100125.8 Ų125.870%0.69967%0.671SS**  trans-67.999.3175.2-61.90000112.5T614S612-T614 PolarHBondContact O-N 3.49Å
613K35Very low43.7Very low153 Ų153117.8 Ų117.867%0.66567%0.665SS**  trans-84.4105.1175-73.9174.6176.2168.10111.9V611V611-K613 PolarHBondContact O-N 3.25Å; V611-K613 VanDerWaalsContact O-N 3.11Å
614T34.4Very low41.5Very low132 Ų132126.4 Ų126.481%0.8169%0.688SS**  trans-106.995.1172.9-43.20000110.6S612S612-T614 PolarHBondContact O-N 3.49Å
615T29.8Very low40.2Very low136 Ų136125 Ų12583%0.83469%0.686SS**  trans-86.7115.3173.8-54.70000110.4
616Q32.9Very low39.1Very low186 Ų186131.3 Ų131.387%0.86971%0.708SS**  trans-144.4116.7163.5-156.2169.842.300110.3
617A29.4Very low37.3Very low91 Ų91130.8 Ų130.875%0.75271%0.711SS**  trans-98.4125.9176.600000110.2
618Q29.2Very low35.7Very low193 Ų193130 Ų13090%0.90272%0.722SS**  trans-156.7161.6147.3-99.4-156.9-22.200110
619P32.3Very low34.4Very low100 Ų100131.9 Ų131.965%0.64973%0.731SS**  trans-112.4161.6-152.340.9-35.2000116.9
620H27.2Very low33.5Very low185 Ų185130.4 Ų130.486%0.85673%0.733SS**  trans68.2171.5155-76.3-63.2000120.4
621V27.4Very low32.6Very low124 Ų124132.4 Ų132.475%0.75274%0.743SS**  trans84.473.5165-161.80000117.6
622T27Very low31.8Very low138 Ų138137.1 Ų137.185%0.84776%0.761SS**  trans43.6131.4130.661.70000121.8
623G28.2Very low31.5Very low78 Ų78140.1 Ų140.180%0.80476%0.764SS**  trans153.997.8133.100000121.3
624R29.2Very low31.3Very low240 Ų240140.6 Ų140.691%0.90677%0.768SS**  8485128.6-151.5174.1-153.6165.66.9122
625V31.5Very low31.1Very low113 Ų113139.2 Ų139.269%0.68576%0.764SS**  51.8116117.8-1800000120.1E627V625-E627 HydrophobicContact CG1-CG 4.34Å
626K32.6Very low31.4Very low169 Ų169137.7 Ų137.774%0.73576%0.757SS**  -159.2119.4107.5-97.4-160.3174-113.10108.9
627E32.2Very low31.2Very low142 Ų142138 Ų13866%0.66476%0.755SS**  70125.788.2-71.3168.6-160.700112.5V625V625-E627 HydrophobicContact CG1-CG 4.34Å
628A35.6Very low31.1Very low85 Ų85141 Ų14170%0.70276%0.757SS**  cis-150.3152.312.100000114.7
629S32.5Very low31Very low104 Ų104138 Ų13873%0.72775%0.746SS**  trans38.8134.6134.763.20000120.9
630C32.6Very low30.8Very low95 Ų95141.9 Ų141.964%0.64275%0.753SS**  cis-170.3-169.91.9-104.90000108.2
631E35.5Very low30.9Very low153 Ų153138 Ų13872%0.71574%0.743SS**  cis-146.2144.41.1-119.9115.4-130.700105.7
632E32.8Very low30.9Very low162 Ų162140 Ų14076%0.75774%0.744SS**  60.1128.697.1-60.3-170.2-176.900116.6
633E33.3Very low31.1Very low163 Ų163140 Ų14076%0.76274%0.744SS**  cis-155.4-161.3-3.4-131.7-165.5-175.400115.9
634E31.6Very low31.1Very low164 Ų164143.7 Ų143.777%0.76674%0.74SS**  trans-58.1155.9-151.1-57.1-164.3119.400123.1
635S31Very low31.3Very low103 Ų103139.3 Ų139.372%0.7274%0.74SS**  trans-97.8155.9148.671.20000110.1
636P34.8Very low31.1Very low104 Ų104139.5 Ų139.568%0.67574%0.742SS**  -161.4167.887.740.6-20.3000119.3
637K29.4Very low31Very low191 Ų191136.9 Ų136.983%0.8374%0.743SS**  trans23.4137.5143.7-56.3170.3-177.6173.30121.2
638L28.3Very low30.9Very low154 Ų154135.1 Ų135.181%0.80674%0.742SS**  175.7139.1106.7-89.3169.5000114.8
639I27.2Very low30.6Very low130 Ų130137.2 Ų137.267%0.66775%0.747SS**  trans-5.6135.2152.3-31.3164.8000119.2
640F27.5Very low30.5Very low182 Ų182141.2 Ų141.280%0.79875%0.754SS**  177.2165112.7-106.7-86.3000116.6
641T28.7Very low30.3Very low105 Ų105143.4 Ų143.464%0.64476%0.764SS**  trans-52.3144.2-166470000121.4
642E27.9Very low30Very low165 Ų165145 Ų14577%0.77177%0.771SS**  7.1129.9122.2-178.8179.1-140.200119.6
643T31.8Very low29.7Very low137 Ų137145.4 Ų145.484%0.8477%0.773SS**  trans-152.4149.1143.3-24.50000111
644Q28Very low29.7Very low157 Ų157143.7 Ų143.773%0.73478%0.779SS**  trans-93.5153.1178-59.1172.5-0.300112.9
645T31.9Very low29.5Very low147 Ų147145.1 Ų145.190%0.90279%0.786SS**  trans-151.8151.3149.9-37.30000110.5
646V28.8Very low29.6Very low118 Ų118149.4 Ų149.472%0.71580%0.797SS**  trans-122.8145.3-171.8174.30000110.5
647C30.3Very low29.3Very low113 Ų113155.1 Ų155.176%0.76481%0.811SS**  trans162.6105.5149.2-86.50000108.7
648T29.5Very low29.4Very low105 Ų105149.2 Ų149.264%0.64481%0.805SS**  74114.580.559.10000115.8
649T28.8Very low29.6Very low130 Ų130148.1 Ų148.180%0.79881%0.805SS**  trans54.8139.9139.661.60000119.2
650E30.9Very low29.7Very low188 Ų188150.1 Ų150.188%0.87981%0.811SS**  cis-147.7-166.638.9-75.8-174136.700113.5
651V28.4Very low30.2Very low140 Ų140150.3 Ų150.385%0.84882%0.817SS**  trans-103135.6-171.5173.50000112.1
652Q29.8Very low30.5Very low187 Ų187151.1 Ų151.187%0.87482%0.817SS**  trans-158.9150.8139-134.5167.76.700114.2
653E26.8Very low30.8Very low171 Ų171151 Ų15180%0.79981%0.814SS**  trans-79.4150.1175.5-55.715597.400112
654S32.3Very low30.7Very low127 Ų127153 Ų15389%0.88881%0.814SS**  178.2155.1124.3-82.20000112.7
655Q28.1Very low31.1Very low194 Ų194152.3 Ų152.391%0.90782%0.82SS**  trans-81.2143.2-177.2-57162.7-10.600112.7
656M32.2Very low31.2Very low193 Ų193153.9 Ų153.995%0.95182%0.82SS**  -165.8155.6125.8-119.9-174.2163.300113.9
657F28.6Very low31.3Very low223 Ų223153.9 Ų153.998%0.97882%0.822SS**  trans-77.8154.1-179.7-92.3-115.3000113.7
658G30.9Very low31.6Very low68 Ų68153.2 Ų153.270%0.70183%0.825SS**  trans175.291.5166.600000116.2
659T32.9Very low31.7Very low130 Ų130156.4 Ų156.480%0.79883%0.833SS**  trans-9.3123.2158.144.20000117.5
660E30.6Very low31.9Very low173 Ų173155.9 Ų155.981%0.80883%0.831SS**  98.7119.560.9177.8-177.2-123.100112.6
661M36.2Very low32Very low185 Ų185153 Ų15391%0.91183%0.831SS**  trans-163.6112.4151-87.5-139.6169.400111.5
662D35.2Very low32Very low123 Ų123151.2 Ų151.266%0.65882%0.824SS**  trans23.6132.5133.5-87.45.2000119.4
663K34.5Very low32.4Very low161 Ų161149.3 Ų149.370%0.783%0.825SS**  cis-172.116743.1-123.1165.6-170.591.70114.8
664E29.9Very low32.8Very low179 Ų179146.6 Ų146.684%0.83682%0.822SS**  trans61.189.3154.5-66.6-171.1123.200122.2
665V35.8Very low32.6Very low143 Ų143145.3 Ų145.387%0.86782%0.819SS**  trans-142.7146.8132.4-179.10000109
666M34.7Very low32.9Very low180 Ų180142 Ų14289%0.88782%0.816SS**  trans-86.5133.1-178.4-65.5-93.585.100113.9
667P31.5Very low33Very low118 Ų118138.4 Ų138.477%0.76681%0.807SS**  trans-109.5157.3165.938.4-30.7000113.2
668A36Very low33.1Very low100 Ų100134.3 Ų134.383%0.82680%0.801SS**  trans-161.7141167.600000111.7
669E32.6Very low33.3Very low172 Ų172137.9 Ų137.980%0.80481%0.809SS**  cis-161.2126.8-22.1-166.1176.8-122.800108.4
670P32.5Very low33.3Very low118 Ų118135.5 Ų135.577%0.76681%0.81SS**  trans-97.4120177.534-29.7000112.6S672P670-S672 PolarHBondContact O-N 2.72Å
671C32.8Very low33.4Very low129 Ų129130.9 Ų130.987%0.87281%0.809SS**  trans-74.2110.7179.6-84.50000113.5
672S29.2Very low33.3Very low102 Ų102129.5 Ų129.571%0.71381%0.805SS**  trans-149.5116.9166.258.30000111.7P670P670-S672 PolarHBondContact O-N 2.72Å
673V38Very low33.3Very low146 Ų146130.5 Ų130.589%0.88582%0.816SS**  trans-174.2161.3169.6-104.50000110
674P34.5Very low33.2Very low114 Ų114132 Ų13274%0.7483%0.825SS**  cis-127.7151.9-9.333.2-16.2000114.8
675A28.7Very low33.5Very low101 Ų101128.4 Ų128.484%0.83582%0.82SS**  trans-111.7150149.900000108.5
676C33.8Very low33.4Very low124 Ų124128.2 Ų128.284%0.83881%0.814SS**  trans-144156.2-180-101.70000110.3
677P35.2Very low33.3Very low117 Ų117125.9 Ų125.976%0.7681%0.805SS**  -113.5171.2-118.139.9-37.9000116.4
678T29.6Very low33.4Very low138 Ų138126 Ų12685%0.84781%0.808SS**  trans-67.4136.7179-24.30000113.9
679T34.7Very low33.4Very low143 Ų143124.7 Ų124.788%0.87780%0.798SS**  trans-146.9130.2151.4-38.60000108.5
680G33Very low33.6Very low79 Ų79122.7 Ų122.781%0.81479%0.792SS**  trans-86.5-173.7-166.900000116.5
681G33.2Very low33.7Very low76 Ų76123.2 Ų123.278%0.78480%0.797SS**  trans150.9111.2174.600000111.4
682D34Very low33.6Very low157 Ų157125.6 Ų125.684%0.8480%0.795SS**  trans-70.2139.8179.1-42.4-87.6000111.7
683T36.1Very low34Very low143 Ų143127.2 Ų127.288%0.87780%0.801SS**  -175.9143.8126.517.90000112.4
684E32.1Very low33.8Very low193 Ų193127.9 Ų127.990%0.90280%0.799SS**  trans-87.7108.1179.2177.4-179.2-145.300110.5
685S34.7Very low34Very low104 Ų104129.2 Ų129.273%0.72781%0.806SS**  trans-160.3108.7170.3-66.40000113.7
686D33.8Very low34.3Very low139 Ų139129.9 Ų129.974%0.74380%0.802SS**  trans23.6103140.9-170.817.8000119.3
687L32.4Very low34.6Very low130 Ų130132 Ų13268%0.68180%0.803SS**  trans-138.665.9164-79.1-179.7000113A689 L690L687-A689 HydrophobicContact CD2-CB 4.19Å; L687-A689 PolarHBondContact O-N 3.13Å; L687-L690 HydrophobicContact CD1-CD1 4.13Å
688S35.1Very low34.7Very low120 Ų120134.8 Ų134.884%0.83981%0.81SS**THydrogen-bonded Turntrans-70.652.9162.470.80000112.4
689A35.8Very low35.4Very low74 Ų74130.8 Ų130.861%0.61279%0.788SS**THydrogen-bonded Turntrans-145.14.2-158.900000117.1L687L687-A689 HydrophobicContact CD2-CB 4.19Å; L687-A689 PolarHBondContact O-N 3.13Å
690L35.7Very low36.6Very low129 Ų129127.4 Ų127.468%0.67577%0.771SS**  trans-121.822.4-168.5-97136.1000117.3L687 Q692L687-L690 HydrophobicContact CD1-CD1 4.13Å; L690-Q692 PolarHBondContact O-N 2.76Å; L690-Q692 VanDerWaalsContact O-N 3.14Å
691C34.7Very low37.3Very low130 Ų130127.1 Ų127.188%0.87876%0.761SS**  trans-84.951.5166.8-64.10000113
692Q32Very low38.4Very low179 Ų179128 Ų12884%0.83675%0.75SS**  trans-166.393.9174.3-115.7157.1105.100114.4L690L690-Q692 PolarHBondContact O-N 2.76Å; L690-Q692 VanDerWaalsContact O-N 3.14Å
693T36.4Very low39.6Very low135 Ų135122.2 Ų122.283%0.82872%0.724SS**  trans-170.2141.7144.713.50000110.1
694N34.9Very low40.7Very low160 Ų160120.2 Ų120.286%0.85671%0.705SS**  trans-113.7135.8176.9-71.4-89.6000110.2
695T37.9Very low42.4Very low142 Ų142117.2 Ų117.287%0.87169%0.691SS**  trans-161.4157.5151.718.30000109.6
696P36.2Very low43.9Very low116 Ų116121.2 Ų121.275%0.75369%0.69SS**  -116.9148.2-126.739.4-32.3000117
697I39.5Very low44.9Very low169 Ų169123.5 Ų123.587%0.86769%0.688SS**  trans-78.8139.6168.4-63175.1000110.5S699I697-S699 PolarHBondContact O-N 2.86Å
698L38Very low46.1Very low174 Ų174121.7 Ų121.791%0.91169%0.687SS**  trans-64.5112.5-172.3-67.4169.9000113.7
699S44.3Very low47Very low55 Ų55120.6 Ų120.639%0.38568%0.675SS.*  trans-83.1129.6170.5175.40000110.6I697 E704I697-S699 PolarHBondContact O-N 2.86Å; S699-E704 WeakPolarHBondContact CB-OE1 3.31Å; S699-E704 WeakPolarHBondContact OG-CG 3.17Å; S699-E704 PolarHBondContact OG-OE1 3.4Å
700S58.9Low47.4Very low72 Ų72126.7 Ų126.750%0.50368%0.682SS.*  trans-70.5135.5173.9178.30000111.2V702 A703 E704S700-V702 PolarHBondContact O-N 3.32Å; S700-V702 PolarHBondContact OG-N 2.94Å; S700-A703 WeakPolarHBondContact O-CA 3.21Å; S700-A703 VanDerWaalsContact O-CB 3.29Å; S700-A703 WeakPolarHBondContact O-CB 3.36Å; S700-A703 PolarHBondContact O-N 3.33Å; S700-E704 PolarHBondContact O-N 3.24Å
701A48.8Very low47.7Very low73 Ų73126.9 Ų126.960%0.60369%0.691SS**Hα-helixtrans-54.2-26.4174.100000113.6E704 H705A701-E704 PolarHBondContact O-N 3.25Å; A701-H705 WeakPolarHBondContact O-CB 3.44Å; A701-H705 PolarHBondContact O-N 3.14Å
702V54.7Low47.6Very low94 Ų94126.3 Ų126.357%0.5769%0.688SS**Hα-helixtrans-70.8-31.2174.3-176.80000111.9S700 R706S700-V702 PolarHBondContact O-N 3.32Å; S700-V702 PolarHBondContact OG-N 2.94Å; V702-R706 WeakPolarHBondContact O-CB 3.42Å; V702-R706 VanDerWaalsContact O-CG 3.28Å; V702-R706 WeakPolarHBondContact O-CG 3.27Å; V702-R706 PolarHBondContact O-N 2.91Å
703A60.9Low47.9Very low35 Ų35129.8 Ų129.829%0.28969%0.693SS.*Hα-helixtrans-74-39.3173.400000111.4S700 R706 R707S700-A703 WeakPolarHBondContact O-CA 3.21Å; S700-A703 VanDerWaalsContact O-CB 3.29Å; S700-A703 WeakPolarHBondContact O-CB 3.36Å; S700-A703 PolarHBondContact O-N 3.33Å; A703-R706 PolarHBondContact O-N 3.4Å; A703-R707 VanDerWaalsContact O-CG 3.31Å; A703-R707 WeakPolarHBondContact O-CG 3.35Å; A703-R707 PolarHBondContact O-N 3.32Å; A703-R707 VanDerWaalsContact O-N 3.14Å
704E59.1Low47.9Very low102 Ų102135.2 Ų135.248%0.47770%0.699SS.*Hα-helixtrans-68.5-45.4177.4-75.8168.6-166.400112.6S699 S700 A701 R706 R707 S708S699-E704 WeakPolarHBondContact CB-OE1 3.31Å; S699-E704 WeakPolarHBondContact OG-CG 3.17Å; S699-E704 PolarHBondContact OG-OE1 3.4Å; S700-E704 PolarHBondContact O-N 3.24Å; A701-E704 PolarHBondContact O-N 3.25Å; E704-R706 PolarHBondContact O-N 3.29Å; E704-R707 WeakPolarHBondContact O-CA 3.42Å; E704-R707 WeakPolarHBondContact O-CB 3.45Å; E704-R707 PolarHBondContact O-N 2.89Å; E704-S708 PolarHBondContact O-N 3.01Å; E704-S708 PolarHBondContact O-OG 3.28Å
705H67.9Low48Very low129 Ų129134.5 Ų134.560%0.59770%0.7SS**Hα-helixtrans-59.2-32.7173.3-172.980.3000112.2A701 R707 S708 V709A701-H705 WeakPolarHBondContact O-CB 3.44Å; A701-H705 PolarHBondContact O-N 3.14Å; H705-R707 VanDerWaalsContact C-N 3.33Å; H705-S708 PolarHBondContact O-OG 2.84Å; H705-V709 VanDerWaalsContact O-CG2 3.29Å; H705-V709 WeakPolarHBondContact O-CG2 3.49Å
706R65.1Low48.1Very low188 Ų188137.3 Ų137.371%0.70970%0.703SS**Hα-helixtrans-75.1-17.5173.4-78.3176.7167.5-170.8-2.7114.3V702 A703 E704V702-R706 WeakPolarHBondContact O-CB 3.42Å; V702-R706 VanDerWaalsContact O-CG 3.28Å; V702-R706 WeakPolarHBondContact O-CG 3.27Å; V702-R706 PolarHBondContact O-N 2.91Å; A703-R706 PolarHBondContact O-N 3.4Å; E704-R706 PolarHBondContact O-N 3.29Å
707R54.5Low48.1Very low187 Ų187135.3 Ų135.371%0.70670%0.704SS**Hα-helixtrans-88.3-39.4174.3-69.1168.9-167-158.75.3111.6A703 E704 H705A703-R707 VanDerWaalsContact O-CG 3.31Å; A703-R707 WeakPolarHBondContact O-CG 3.35Å; A703-R707 PolarHBondContact O-N 3.32Å; A703-R707 VanDerWaalsContact O-N 3.14Å; E704-R707 WeakPolarHBondContact O-CA 3.42Å; E704-R707 WeakPolarHBondContact O-CB 3.45Å; E704-R707 PolarHBondContact O-N 2.89Å; H705-R707 VanDerWaalsContact C-N 3.33Å
708S57.2Low48.4Very low93 Ų93133.3 Ų133.365%0.6571%0.705SS**Hα-helixtrans-75.2-21.6-175.658.90000115.3E704 H705E704-S708 PolarHBondContact O-N 3.01Å; E704-S708 PolarHBondContact O-OG 3.28Å; H705-S708 PolarHBondContact O-OG 2.84Å
709V53.9Low49Very low97 Ų97136.3 Ų136.359%0.58870%0.704SS**THydrogen-bonded Turntrans-95.112.6-172.9-176.70000113.6H705H705-V709 VanDerWaalsContact O-CG2 3.29Å; H705-V709 WeakPolarHBondContact O-CG2 3.49Å
710R44Very low49.3Very low202 Ų202137.8 Ų137.876%0.76271%0.708SS**SBendtrans-102.1116.9178.5-78.9-176.3167.8171.1-1.4112.5
711P42.5Very low49.3Very low133 Ų133137.6 Ų137.686%0.86471%0.705SS**PPolyproline II helixtrans-62137-177.4-25.134.7000114.1
712S33.6Very low49.5Very low117 Ų117139.2 Ų139.282%0.81870%0.703SS**PPolyproline II helixtrans-93.3128.7178.552.20000112.2
713R37.9Very low49.8Very low253 Ų253144.8 Ų144.896%0.95571%0.713SS**  trans-138.6120.1157.7-87.3-164.9168.5-160.3-4.2110.2
714R35.6Very low50Low248 Ų248145.8 Ų145.894%0.93672%0.722SS**  trans-70.4139.4170.7-77.2168.9151.2177-8.2110.5
715T38.3Very low49.9Very low145 Ų145145.7 Ų145.789%0.8972%0.724SS**  trans-156.2150.5139.980000110.2
716Q39.3Very low49.5Very low201 Ų201144 Ų14494%0.93973%0.733SS**  trans-72.2158.4173.9-62.8158.1-41.800110.4
717G37.2Very low49.7Very low74 Ų74138.8 Ų138.876%0.76373%0.73SS**  cis170.1114.9-5.300000109.7R719G717-R719 PolarHBondContact O-N 3.13Å
718S44.1Very low50.5Low127 Ų127135.9 Ų135.989%0.88872%0.719SS**  trans-89.6105-169.850.80000112.7
719R51.5Low50.4Low237 Ų237139.7 Ų139.789%0.89473%0.726SS**  trans-76.4146.5160.2-82.3-179.9160.9167.4-7.2109.7G717G717-R719 PolarHBondContact O-N 3.13Å
720N50.9Low50.9Low87 Ų87139.3 Ų139.347%0.46572%0.721SS.*  trans-58.4127-177.4177.9-23.4000110.7L722 R723 A724N720-L722 VanDerWaalsContact C-N 3.28Å; N720-L722 PolarHBondContact O-N 2.91Å; N720-L722 WeakPolarHBondContact OD1-CB 3.38Å; N720-L722 PolarHBondContact OD1-N 3.26Å; N720-R723 PolarHBondContact O-N 3.15Å; N720-A724 PolarHBondContact O-N 2.87Å
721P59.3Low51.4Low67 Ų67134.7 Ų134.744%0.43571%0.71SS.*Hα-helixtrans-62.1-29.6-177.725.6-35.2000113.8A724 L725P721-A724 CarbonylContact O-C 3.58Å; P721-A724 WeakPolarHBondContact O-CA 3.44Å; P721-A724 WeakPolarHBondContact O-CB 3.33Å; P721-A724 PolarHBondContact O-N 3.23Å; P721-L725 PolarHBondContact O-N 3.27Å
722L52.3Low51.6Low108 Ų108136.2 Ų136.257%0.56571%0.706SS**Hα-helixtrans-65.9-40.3176.7-61.7175000111.3N720 A724 L725 A726N720-L722 VanDerWaalsContact C-N 3.28Å; N720-L722 PolarHBondContact O-N 2.91Å; N720-L722 WeakPolarHBondContact OD1-CB 3.38Å; N720-L722 PolarHBondContact OD1-N 3.26Å; L722-A724 PolarHBondContact O-N 3.03Å; L722-L725 PolarHBondContact O-N 2.76Å; L722-A726 WeakPolarHBondContact O-CB 3.4Å; L722-A726 PolarHBondContact O-N 2.87Å
723R60.8Low52.3Low210 Ų210138.3 Ų138.379%0.79270%0.703SS**Hα-helixtrans-69.5-17.9170.4-88.3-172.4174.2170.9-0.8113.8N720 A727N720-R723 PolarHBondContact O-N 3.15Å; R723-A727 WeakPolarHBondContact O-CB 3.48Å
724A64.4Low52.7Low57 Ų57133.4 Ų133.447%0.47170%0.695SS.*Hα-helixtrans-88.3-20.7174.300000112.9N720 P721 L722N720-A724 PolarHBondContact O-N 2.87Å; P721-A724 CarbonylContact O-C 3.58Å; P721-A724 WeakPolarHBondContact O-CA 3.44Å; P721-A724 WeakPolarHBondContact O-CB 3.33Å; P721-A724 PolarHBondContact O-N 3.23Å; L722-A724 PolarHBondContact O-N 3.03Å
725L57.8Low52.8Low100 Ų100131.2 Ų131.252%0.52469%0.693SS.*Hα-helixtrans-87.4-42.3171.9-72.2167.7000111.5P721 L722 A727 R728P721-L725 PolarHBondContact O-N 3.27Å; L722-L725 PolarHBondContact O-N 2.76Å; L725-A727 PolarHBondContact O-N 2.79Å; L725-A727 VanDerWaalsContact O-N 3.1Å; L725-R728 WeakPolarHBondContact O-CB 3.25Å; L725-R728 PolarHBondContact O-N 2.78Å; L725-R728 VanDerWaalsContact O-N 3.16Å
726A60.2Low52.7Low93 Ų93130.9 Ų130.977%0.76968%0.683SS**THydrogen-bonded Turntrans-67.2-6.7175.700000114.4L722L722-A726 WeakPolarHBondContact O-CB 3.4Å; L722-A726 PolarHBondContact O-N 2.87Å
727A68Low52.5Low79 Ų79129.1 Ų129.165%0.65368%0.675SS**THydrogen-bonded Turntrans-110.421.5176.100000112.8R723 L725R723-A727 WeakPolarHBondContact O-CB 3.48Å; L725-A727 PolarHBondContact O-N 2.79Å; L725-A727 VanDerWaalsContact O-N 3.1Å
728R70.8Confident52.3Low126 Ų126130.9 Ų130.948%0.47567%0.673SS.*  trans-103.2100.7176.1-82.6-170.980.1155.63.6111.5L725 D730 I731L725-R728 WeakPolarHBondContact O-CB 3.25Å; L725-R728 PolarHBondContact O-N 2.78Å; L725-R728 VanDerWaalsContact O-N 3.16Å; R728-D730 VanDerWaalsContact CB-OD1 3.28Å; R728-D730 WeakPolarHBondContact CB-OD1 3.32Å; R728-D730 IonicContact CZ-OD1 3.89Å; R728-D730 IonicContact CZ-OD2 3.77Å; R728-D730 IonicContact NE-OD1 3.59Å; R728-D730 PolarHBondContact NE-OD1 3.31Å; R728-D730 IonicContact NE-OD2 2.62Å; R728-D730 PolarHBondContact NE-OD2 2.76Å; R728-D730 IonicContact NH2-OD1 3.51Å; R728-D730 IonicContact NH2-OD2 2.81Å; R728-D730 PolarHBondContact NH2-OD2 3.32Å; R728-D730 PolarHBondContact O-N 2.85Å; R728-I731 HydrophobicContact CB-CD1 3.88Å; R728-I731 HydrophobicContact CB-CG1 4.16Å
729E56.7Low51.6Low172 Ų172134 Ų13480%0.80467%0.673SS**G310 helixtrans-64.6-22175.3-62.8172.9166.500112.3I731E729-I731 VanDerWaalsContact C-N 3.29Å; E729-I731 PolarHBondContact O-N 2.87Å
730D63.9Low50.8Low89 Ų89130.8 Ų130.848%0.47667%0.669SS.*G310 helixtrans-76.5-7.6-176.766.2-47.6000114.9R728R728-D730 VanDerWaalsContact CB-OD1 3.28Å; R728-D730 WeakPolarHBondContact CB-OD1 3.32Å; R728-D730 IonicContact CZ-OD1 3.89Å; R728-D730 IonicContact CZ-OD2 3.77Å; R728-D730 IonicContact NE-OD1 3.59Å; R728-D730 PolarHBondContact NE-OD1 3.31Å; R728-D730 IonicContact NE-OD2 2.62Å; R728-D730 PolarHBondContact NE-OD2 2.76Å; R728-D730 IonicContact NH2-OD1 3.51Å; R728-D730 IonicContact NH2-OD2 2.81Å; R728-D730 PolarHBondContact NH2-OD2 3.32Å; R728-D730 PolarHBondContact O-N 2.85Å
731I55.2Low49.8Very low105 Ų105132.8 Ų132.854%0.53868%0.679SS.*G310 helixtrans-89.4-9.2179.8-61.8176.1000112R728 E729R728-I731 HydrophobicContact CB-CD1 3.88Å; R728-I731 HydrophobicContact CB-CG1 4.16Å; E729-I731 VanDerWaalsContact C-N 3.29Å; E729-I731 PolarHBondContact O-N 2.87Å
732Q46.3Very low48.6Very low166 Ų166134.9 Ų134.978%0.77670%0.696SS**SBendtrans-89.62.3-176.9-67.7-170.7-1900115.3
733Q47.2Very low47.4Very low161 Ų161138.2 Ų138.275%0.75271%0.708SS**SBendtrans-111.6-14.5-170.4-66.8-172.4-14.100116.1
734D46.6Very low46.2Very low149 Ų149136 Ų13680%0.79771%0.709SS**SBendtrans-89.23.5-176.4-79.7-19.5000114.9
735F38.9Very low44.7Very low203 Ų203141.7 Ų141.789%0.8973%0.726SS**SBendtrans-134.437.5-173-98.9-84.9000114.6
736M35.4Very low43.4Very low137 Ų137143.1 Ų143.168%0.67573%0.734SS**  trans-137.1106.9177.6-79.1-66.7-74.600114.8
737Q34.1Very low42.1Very low164 Ų164145.3 Ų145.377%0.76673%0.733SS**  trans66.2169.5148.3-65.8-167.29.800119.1
738P34.7Very low40.4Very low112 Ų112148.3 Ų148.373%0.72774%0.743SS**  cis-120.8170.9-7.220.52.4000115.1
739E28.8Very low38.4Very low192 Ų192146.5 Ų146.590%0.89776%0.755SS**  trans-102.2149.4160.7-66.3-163.9150.400110.9
740E33.9Very low37.3Very low170 Ų170147.2 Ų147.279%0.79476%0.761SS**  trans-145.3110.7161.7-78.4-152102.300113.5
741N30.3Very low35.6Very low129 Ų129152.1 Ų152.169%0.6978%0.778SS**  66.9149.7124.9-56.8-38000123.5
742S33.3Very low34.6Very low111 Ų111154.1 Ų154.178%0.77679%0.79SS**  trans88.7101.6172.3-35.80000114.9
743E29.1Very low33.9Very low178 Ų178150.3 Ų150.383%0.83278%0.781SS**  85.9145.553.9-69.2-159.5146.700115.5
744M33.6Very low33.2Very low164 Ų164149.9 Ų149.981%0.80878%0.784SS**  trans67.4147.7-173.9-104.9158.7-81.600115.4
745E33Very low32.5Very low176 Ų176147.5 Ų147.582%0.82278%0.778SS**  cis-142.71747.4-165.7162.9-156.200113.1
746N31.9Very low32.2Very low130 Ų130144.2 Ų144.270%0.69578%0.775SS**  trans-92.5157.3-160.7-79.8-67.6000117.6
747N31.6Very low32.3Very low138 Ų138143.6 Ų143.674%0.73878%0.781SS**  trans55.5116.9140.9-63.8-26.9000122.2
748T33.6Very low32.2Very low143 Ų143139.9 Ų139.988%0.87778%0.779SS**  169.3137.9115.133.50000109.3
749A28.8Very low32.1Very low88 Ų88141.7 Ų141.773%0.72778%0.782SS**  cis113.883.411.100000115
750M33Very low32.5Very low187 Ų187137.9 Ų137.992%0.92177%0.772SS**  trans-156.8125.1144.2-72.6-150.8178.200107.3
751K29.4Very low32.4Very low192 Ų192136 Ų13684%0.83577%0.772SS**  cis81.3108.648.1-78.1-165171-175.50115.2
752N33.3Very low32.6Very low147 Ų147135.8 Ų135.879%0.78678%0.781SS**  172.5106.1127-81.2-7.5000106.7
753S32.4Very low32.6Very low86 Ų86136.5 Ų136.560%0.60179%0.786SS**  66.8126.778.770.40000112.3
754N32Very low32.7Very low151 Ų151131.4 Ų131.481%0.80778%0.781SS**  cis-122.2145.337.3-65.5-24.1000112.4
755C32Very low32.7Very low99 Ų99134.2 Ų134.267%0.66979%0.788SS**  cis85.1133.648.5-63.50000112.6
756T32.3Very low32.6Very low135 Ų135133.3 Ų133.383%0.82879%0.788SS**  cis-158.1166.75.84.70000111.8
757P36.6Very low32.6Very low123 Ų123132.1 Ų132.180%0.79979%0.79SS**  trans-128.2174.7-155.745.2-34.1000118.4
758A32.1Very low32.9Very low87 Ų87134.6 Ų134.672%0.71979%0.794SS**  trans-161.6151.2149.900000108.1
759D32.5Very low33.2Very low149 Ų149132.6 Ų132.680%0.79778%0.784SS**  cis-151145.4-6.5-123.7-11.2000113.5
760V36.8Very low34.6Very low113 Ų113133 Ų13369%0.68578%0.777SS**  trans47.5110.5142174.10000122.9
761T33.1Very low36Very low129 Ų129125.9 Ų125.979%0.79174%0.744SS**  trans58.2112.2147.758.80000123.1
762S34.6Very low38.1Very low126 Ų126117.1 Ų117.188%0.88171%0.707SS**  -157.6163.995.960.20000110
763S33.5Very low40.1Very low126 Ų126112.5 Ų112.588%0.88168%0.679SS**  trans-110.8118.8-167.5650000114.7
764G31.1Very low42.5Very low70 Ų70111.4 Ų111.472%0.72266%0.664SS**  trans-147.8124.716400000110.8L766G764-L766 VanDerWaalsContact C-N 3.29Å; G764-L766 PolarHBondContact O-N 3.06Å
765K32.5Very low45.1Very low223 Ų223112.1 Ų112.197%0.9766%0.66SS**  trans-79.874.5176.3-74.1-177.2178.7175.60110.5
766L31.5Very low48.1Very low158 Ų158109.2 Ų109.283%0.82764%0.638SS**PPolyproline II helixtrans-84148.7167.8-147.169.5000110.2G764G764-L766 VanDerWaalsContact C-N 3.29Å; G764-L766 PolarHBondContact O-N 3.06Å
767S32.9Very low51.1Low104 Ų104102.8 Ų102.873%0.72760%0.598SS**PPolyproline II helixtrans-58.5140.6173.135.90000110.4
768K37.6Very low53.9Low190 Ų19097 Ų9783%0.82656%0.56SS**PPolyproline II helixtrans-57.2132.8171.6-68.5-175.5177.3-175.40108.4T770K768-T770 PolarHBondContact O-N 3Å
769P38.9Very low57Low102 Ų10292.8 Ų92.866%0.66253%0.526SS*.PPolyproline II helixtrans-60.1124.3174.724.9-32.8000109V771P769-V771 PolarHBondContact O-N 3.44Å
770T58.3Low60Low95 Ų9586.1 Ų86.158%0.58349%0.49SS*.  trans-72.1-13.4176.8-33.80000112.1K768 F1000K768-T770 PolarHBondContact O-N 3Å; T770-F1000 HydrophobicContact CG2-CD2 4.5Å; T770-F1000 HydrophobicContact CG2-CE2 4.19Å
771V62.4Low62.8Low38 Ų3880.7 Ų80.723%0.2346%0.457CS..SBendtrans-82.8137.4-169.8-1750000111.1P769 Y773 T1005P769-V771 PolarHBondContact O-N 3.44Å; V771-Y773 PolarHBondContact O-N 2.93Å; V771-T1005 HydrophobicContact CG1-CG2 3.43Å; V771-T1005 VanDerWaalsContact CG1-CG2 3.43Å
772P73.7Confident65.7Low9 Ų975.1 Ų75.16%0.05842%0.422CS..  trans-55.6127.8170-26.436.7000112.2Y937 L995 G997 R998 V999P772-Y937 HydrophobicContact CB-CE1 4.38Å; P772-Y937 HydrophobicContact CG-CD1 4.48Å; P772-Y937 HydrophobicContact CG-CE1 4.33Å; P772-L995 HydrophobicContact CB-CD1 3.98Å; P772-L995 HydrophobicContact CB-CD2 3.91Å; P772-L995 HydrophobicContact CB-CG 4.18Å; P772-G997 VanDerWaalsContact CG-CA 3.5Å; P772-R998 WeakPolarHBondContact CD-O 3.4Å; P772-R998 WeakPolarHBondContact CG-O 3.43Å; P772-V999 HydrophobicContact CG-CG2 4.29Å
773Y76.2Confident68.2Low50 Ų5069.1 Ų69.120%0.19638%0.38CS..  trans-154.3136.7-179.4177.9-115000112.2V771 K775 M777 Q810 L842V771-Y773 PolarHBondContact O-N 2.93Å; Y773-K775 VanDerWaalsContact OH-C 3.31Å; Y773-K775 WeakPolarHBondContact OH-CA 3.47Å; Y773-K775 PolarHBondContact OH-O 2.92Å; Y773-M777 HydrophobicContact CD2-SD 3.96Å; Y773-M777 HydrophobicContact CE2-SD 4.26Å; Y773-Q810 HydrophobicContact CE1-CG 3.63Å; Y773-Q810 WeakPolarHBondContact OH-CG 3.29Å; Y773-Q810 PolarHBondContact OH-N 2.95Å; Y773-Q810 VanDerWaalsContact OH-N 3.12Å; Y773-L842 WeakPolarHBondContact CD2-O 3.28Å; Y773-L842 WeakPolarHBondContact CE2-O 3.34Å
774H82.4Confident70.5Confident62 Ų6267.9 Ų67.929%0.28736%0.356SS..  trans-118.4144.3166.7-168.6-104.8000110.4L776 M777 D992H774-L776 PolarHBondContact ND1-O 3.27Å; H774-L776 PolarHBondContact O-N 2.85Å; H774-M777 HydrophobicContact CB-CG 3.85Å; H774-M777 HydrophobicContact CB-SD 4.17Å; H774-M777 PolarHBondContact N-SD 3.25Å; H774-M777 VanDerWaalsContact N-SD 3.42Å; H774-D992 PolarHBondContact NE2-O 3.24Å
775K86.6Confident72.9Confident167 Ų16773.3 Ų73.373%0.72636%0.355SS*.SBendtrans-56.3-28.9-166.4-70-177.9-179175.50114.9Y773Y773-K775 VanDerWaalsContact OH-C 3.31Å; Y773-K775 WeakPolarHBondContact OH-CA 3.47Å; Y773-K775 PolarHBondContact OH-O 2.92Å
776L93.7Very high75.3Confident37 Ų3766.4 Ų66.419%0.19433%0.326CS..SBendtrans-140.3128.1175.5-176.468.7000105.8H774 P794 L807 T809 L869H774-L776 PolarHBondContact ND1-O 3.27Å; H774-L776 PolarHBondContact O-N 2.85Å; L776-P794 HydrophobicContact CD2-CB 3.8Å; L776-P794 HydrophobicContact CD2-CG 3.97Å; L776-P794 HydrophobicContact CG-CB 3.83Å; L776-P794 HydrophobicContact CG-CG 4.17Å; L776-L807 HydrophobicContact CD1-CD1 3.65Å; L776-L807 HydrophobicContact CD1-CG 4.23Å; L776-L807 HydrophobicContact CG-CD1 4.24Å; L776-T809 HydrophobicContact CD1-CG2 3.53Å; L776-L869 HydrophobicContact CD1-CB 4.21Å; L776-L869 HydrophobicContact CD1-CD2 4.37Å; L776-L869 VanDerWaalsContact CD2-O 3.29Å; L776-L869 WeakPolarHBondContact CD2-O 3.19Å
777M95.3Very high78.1Confident1 Ų159.9 Ų59.91%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-136.4124.3-179-73.3165.346.500108.7Y773 H774 I779 M791 L807 V808 L842 L1007Y773-M777 HydrophobicContact CD2-SD 3.96Å; Y773-M777 HydrophobicContact CE2-SD 4.26Å; H774-M777 HydrophobicContact CB-CG 3.85Å; H774-M777 HydrophobicContact CB-SD 4.17Å; H774-M777 PolarHBondContact N-SD 3.25Å; H774-M777 VanDerWaalsContact N-SD 3.42Å; M777-I779 HydrophobicContact CE-CD1 4.24Å; M777-M791 HydrophobicContact CE-CE 3.7Å; M777-M791 HydrophobicContact CG-CE 4.08Å; M777-M791 HydrophobicContact CG-SD 4.26Å; M777-M791 HydrophobicContact SD-CE 4.26Å; M777-L807 WeakPolarHBondContact O-CA 3.23Å; M777-V808 HydrophobicContact CB-CB 4.45Å; M777-V808 PolarHBondContact N-O 3.12Å; M777-V808 VanDerWaalsContact N-O 3.1Å; M777-V808 PolarHBondContact O-N 2.85Å; M777-L842 HydrophobicContact CE-CB 4.26Å; M777-L842 HydrophobicContact CE-CD1 3.89Å; M777-L842 HydrophobicContact CE-CD2 4.26Å; M777-L842 HydrophobicContact CE-CG 4.36Å; M777-L1007 HydrophobicContact CE-CD2 4.02Å
778L96.2Very high81Confident0 Ų055.2 Ų55.20%026%0.259CS..EExtended strand (participates in β ladder)trans-104.5130.6167.2-175.564.4000107.9M791 V792 P794 L799 F805 L806 L807 L870L778-M791 WeakPolarHBondContact O-CA 3.36Å; L778-M791 WeakPolarHBondContact O-CG 3.41Å; L778-V792 HydrophobicContact CB-CG2 4.06Å; L778-V792 HydrophobicContact CD2-CG2 3.83Å; L778-V792 HydrophobicContact CG-CG2 3.71Å; L778-V792 PolarHBondContact O-N 2.89Å; L778-P794 HydrophobicContact CB-CB 3.86Å; L778-L799 HydrophobicContact CD1-CD2 4.21Å; L778-L799 HydrophobicContact CD2-CD2 4.15Å; L778-F805 HydrophobicContact CD1-CB 3.95Å; L778-F805 HydrophobicContact CD1-CD1 4.31Å; L778-F805 HydrophobicContact CD2-CD1 4.43Å; L778-F805 HydrophobicContact CG-CD1 4.25Å; L778-L806 CarbonylContact C-O 3.54Å; L778-L806 WeakPolarHBondContact CA-O 3.24Å; L778-L807 HydrophobicContact CB-CD1 4.21Å; L778-L807 HydrophobicContact CD1-CB 4.21Å; L778-L807 HydrophobicContact CD1-CD1 4.19Å; L778-L870 HydrophobicContact CD2-CD2 4.16Å
779I96.7Very high83.7Confident0 Ų046.2 Ų46.20%022%0.22CC..EExtended strand (participates in β ladder)trans-124.1115.4-175.4-53.6169.9000107.9M777 V789 R790 F805 L806 V808 L842 L1007M777-I779 HydrophobicContact CE-CD1 4.24Å; I779-V789 HydrophobicContact CG2-CG1 3.39Å; I779-R790 CarbonylContact C-O 3.59Å; I779-R790 WeakPolarHBondContact CA-O 3.42Å; I779-F805 CarbonylContact O-C 3.24Å; I779-F805 VanDerWaalsContact O-CA 3.25Å; I779-F805 WeakPolarHBondContact O-CA 3.3Å; I779-L806 HydrophobicContact CB-CB 4.26Å; I779-L806 PolarHBondContact N-O 2.94Å; I779-L806 PolarHBondContact O-N 2.86Å; I779-V808 HydrophobicContact CD1-CG2 4.2Å; I779-L842 HydrophobicContact CD1-CD1 3.93Å; I779-L1007 HydrophobicContact CD1-CD1 4.32Å; I779-L1007 HydrophobicContact CD1-CD2 4.14Å; I779-L1007 HydrophobicContact CG1-CD2 4.46Å; I779-L1007 HydrophobicContact CG2-CD1 3.82Å
780Q95.7Very high86.4Confident8 Ų841.4 Ų41.44%0.03719%0.189CC..EExtended strand (participates in β ladder)trans-79.4140.3173.7-175-178.917.300110.2K782 V789 R790 V792 D803 F805Q780-K782 HydrophobicContact CG-CB 4.33Å; Q780-V789 WeakPolarHBondContact O-CA 3.31Å; Q780-R790 PolarHBondContact N-O 2.87Å; Q780-R790 PolarHBondContact O-N 3.3Å; Q780-V792 HydrophobicContact CB-CG1 3.94Å; Q780-V792 HydrophobicContact CB-CG2 4.27Å; Q780-D803 PolarHBondContact NE2-OD2 3Å; Q780-F805 HydrophobicContact CB-CD1 3.95Å; Q780-F805 HydrophobicContact CB-CE1 3.71Å; Q780-F805 HydrophobicContact CG-CD1 4.26Å; Q780-F805 HydrophobicContact CG-CE1 3.65Å; Q780-F805 HydrophobicContact CG-CZ 4.01Å
781V95.6Very high88.1Confident0 Ų037 Ų370%016%0.162CC..EExtended strand (participates in β ladder)trans-128.298.8177.5-178.20000107V787 V789 C804 E825 K828 A829 M832V781-V787 HydrophobicContact CG1-CG1 3.41Å; V781-V787 VanDerWaalsContact CG1-CG1 3.41Å; V781-V789 HydrophobicContact CG2-CG2 4.44Å; V781-C804 HydrophobicContact CB-CB 4.19Å; V781-C804 WeakPolarHBondContact CB-O 3.1Å; V781-C804 PolarHBondContact N-O 2.83Å; V781-C804 PolarHBondContact O-N 2.86Å; V781-E825 HydrophobicContact CG1-CB 4.47Å; V781-K828 HydrophobicContact CG1-CB 4.29Å; V781-K828 HydrophobicContact CG1-CG 4.47Å; V781-A829 HydrophobicContact CB-CB 4.24Å; V781-A829 HydrophobicContact CG1-CB 4.21Å; V781-A829 HydrophobicContact CG2-CB 4.05Å; V781-M832 HydrophobicContact CG2-SD 4.34Å
782K93.6Very high89.6Confident12 Ų1235.5 Ų35.55%0.05215%0.153CC..EExtended strand (participates in β ladder)trans-135.4136.9-174.5-178.7175.9-166.254.10113Q780 Q788 D803 E825 D885 Y888Q780-K782 HydrophobicContact CG-CB 4.33Å; K782-Q788 PolarHBondContact O-N 2.92Å; K782-D803 HydrophobicContact CB-CB 4.32Å; K782-D803 WeakPolarHBondContact CD-OD1 3.16Å; K782-D803 WeakPolarHBondContact CE-OD1 3.27Å; K782-D803 WeakPolarHBondContact CG-OD1 3.42Å; K782-D803 IonicContact NZ-OD1 2.73Å; K782-D803 PolarHBondContact NZ-OD1 2.88Å; K782-E825 VanDerWaalsContact CA-OE1 3.24Å; K782-E825 WeakPolarHBondContact CA-OE1 3.47Å; K782-D885 WeakPolarHBondContact CE-OD1 3.35Å; K782-D885 IonicContact NZ-OD1 2.69Å; K782-D885 PolarHBondContact NZ-OD1 2.9Å; K782-Y888 HydrophobicContact CB-CD1 4.05Å; K782-Y888 HydrophobicContact CB-CE1 3.63Å; K782-Y888 HydrophobicContact CD-CD1 3.75Å; K782-Y888 HydrophobicContact CD-CD2 4.23Å; K782-Y888 HydrophobicContact CD-CE1 3.97Å; K782-Y888 HydrophobicContact CD-CE2 4.46Å; K782-Y888 HydrophobicContact CD-CG 3.89Å; K782-Y888 HydrophobicContact CG-CD1 3.72Å; K782-Y888 HydrophobicContact CG-CE1 3.85Å; K782-Y888 HydrophobicContact CG-CG 4.36Å
783G88.1Confident90.6Very high0 Ų037.4 Ų37.40%016%0.161CC..  trans150.1159.6168.200000114.8N822 E825G783-N822 PolarHBondContact O-ND2 3.34Å; G783-E825 PolarHBondContact N-OE1 2.81Å
784W81.8Confident91.4Very high99 Ų9935.9 Ų35.938%0.37516%0.157SC..SBendtrans-97.9-34-170-178.8-114000114.3V882 D885 E886 E889W784-V882 HydrophobicContact CD2-CG1 4.46Å; W784-V882 HydrophobicContact CE3-CG1 3.91Å; W784-V882 HydrophobicContact CH2-CG1 4.06Å; W784-V882 HydrophobicContact CZ3-CG1 3.69Å; W784-D885 HydrophobicContact CB-CB 3.71Å; W784-E886 HydrophobicContact CB-CG 4.19Å; W784-E886 HydrophobicContact CG-CG 4.27Å; W784-E889 PolarHBondContact N-OE1 2.81Å
785R80.4Confident91.9Very high185 Ų18534.8 Ų34.870%0.69816%0.155SC*.SBendtrans-126-35.6-179.4-53.1-172.4-170.1-127.22.2112.8E886 E889R785-E886 IonicContact CZ-OE1 3.26Å; R785-E886 IonicContact NE-OE1 2.67Å; R785-E886 PolarHBondContact NE-OE1 2.95Å; R785-E886 IonicContact NH2-OE1 3.02Å; R785-E886 PolarHBondContact NH2-OE1 2.71Å; R785-E889 PolarHBondContact N-OE1 2.78Å
786Q83.8Confident92.1Very high77 Ų7727 Ų2736%0.3612%0.122SC..SBendtrans-138.866.9-175.8-165.418020.500110.1Q788 E889 A1013Q786-Q788 WeakPolarHBondContact O-CG 3.35Å; Q786-Q788 PolarHBondContact O-N 2.77Å; Q786-Q788 PolarHBondContact O-NE2 3.24Å; Q786-E889 PolarHBondContact N-OE1 2.87Å; Q786-A1013 VanDerWaalsContact NE2-CB 3.25Å
787V90.5Very high91.9Very high21 Ų2128.9 Ų28.913%0.12713%0.129CC..  trans-34.5116.6179177.60000112V781 I824 E825 K828V781-V787 HydrophobicContact CG1-CG1 3.41Å; V781-V787 VanDerWaalsContact CG1-CG1 3.41Å; V787-I824 HydrophobicContact CG2-CB 4.3Å; V787-I824 HydrophobicContact CG2-CG2 3.73Å; V787-E825 HydrophobicContact CG2-CG 4.28Å; V787-K828 HydrophobicContact CG1-CG 4.32Å
788Q93.1Very high91.7Very high6 Ų629.3 Ų29.33%0.02813%0.132CC..EExtended strand (participates in β ladder)trans-96.6104.8-178.6-68.3-65.4-63.100109.9K782 Q786 Y888 E889 I892K782-Q788 PolarHBondContact O-N 2.92Å; Q786-Q788 WeakPolarHBondContact O-CG 3.35Å; Q786-Q788 PolarHBondContact O-N 2.77Å; Q786-Q788 PolarHBondContact O-NE2 3.24Å; Q788-Y888 HydrophobicContact CB-CE1 3.82Å; Q788-E889 HydrophobicContact CG-CG 4.35Å; Q788-I892 HydrophobicContact CB-CG2 3.81Å; Q788-I892 HydrophobicContact CG-CG2 3.53Å
789V95.4Very high91.5Very high1 Ų129.4 Ų29.41%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-78.6127.5174.7-176.40000109.8I779 Q780 V781 M832 L1007 E1010 K1011I779-V789 HydrophobicContact CG2-CG1 3.39Å; Q780-V789 WeakPolarHBondContact O-CA 3.31Å; V781-V789 HydrophobicContact CG2-CG2 4.44Å; V789-M832 HydrophobicContact CB-SD 4.4Å; V789-M832 HydrophobicContact CG1-CE 3.78Å; V789-M832 HydrophobicContact CG1-SD 3.74Å; V789-M832 HydrophobicContact CG2-SD 3.75Å; V789-L1007 HydrophobicContact CG1-CD1 3.6Å; V789-E1010 HydrophobicContact CB-CB 3.95Å; V789-E1010 HydrophobicContact CG1-CB 4.41Å; V789-E1010 HydrophobicContact CG2-CB 3.79Å; V789-E1010 HydrophobicContact CG2-CG 4.23Å; V789-K1011 PolarHBondContact O-NZ 3.43Å
790R94.3Very high91.2Very high2 Ų229.8 Ų29.81%0.00814%0.135CC..EExtended strand (participates in β ladder)trans-142.3137.9-179.6-62.7-69.1161.3147.81.5111.6I779 Q780 I892 N896 F932I779-R790 CarbonylContact C-O 3.59Å; I779-R790 WeakPolarHBondContact CA-O 3.42Å; Q780-R790 PolarHBondContact N-O 2.87Å; Q780-R790 PolarHBondContact O-N 3.3Å; R790-I892 HydrophobicContact CG-CG1 4.13Å; R790-N896 PolarHBondContact NH1-OD1 3.02Å; R790-N896 PolarHBondContact NH2-OD1 2.85Å; R790-F932 PolarHBondContact NH1-O 2.85Å; R790-F932 VanDerWaalsContact NH1-O 3.14Å
791M95.1Very high91Very high1 Ų130.1 Ų30.11%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-68.4141.3165.8-168.5177.6-53.900110.5M777 L778 S934 E935 W993 L995 L1007M777-M791 HydrophobicContact CE-CE 3.7Å; M777-M791 HydrophobicContact CG-CE 4.08Å; M777-M791 HydrophobicContact CG-SD 4.26Å; M777-M791 HydrophobicContact SD-CE 4.26Å; L778-M791 WeakPolarHBondContact O-CA 3.36Å; L778-M791 WeakPolarHBondContact O-CG 3.41Å; M791-S934 WeakPolarHBondContact O-CB 3.48Å; M791-S934 PolarHBondContact O-OG 2.84Å; M791-E935 HydrophobicContact CB-CG 3.97Å; M791-E935 WeakPolarHBondContact CB-OE1 3.44Å; M791-E935 HydrophobicContact CE-CG 4.06Å; M791-E935 PolarHBondContact N-OE1 2.83Å; M791-W993 HydrophobicContact CG-CE3 4.21Å; M791-W993 HydrophobicContact CG-CZ3 4.11Å; M791-W993 HydrophobicContact SD-CE3 4.37Å; M791-L995 HydrophobicContact CE-CB 3.55Å; M791-L995 HydrophobicContact CE-CD2 3.67Å; M791-L995 HydrophobicContact CE-CG 4.22Å; M791-L995 HydrophobicContact SD-CB 4.05Å; M791-L1007 HydrophobicContact CE-CD2 3.68Å
792V94.1Very high90.6Very high7 Ų730.3 Ų30.34%0.04214%0.14CC..EExtended strand (participates in β ladder)trans-134.5166.5178.1-66.60000110.6L778 Q780 F805 P976L778-V792 HydrophobicContact CB-CG2 4.06Å; L778-V792 HydrophobicContact CD2-CG2 3.83Å; L778-V792 HydrophobicContact CG-CG2 3.71Å; L778-V792 PolarHBondContact O-N 2.89Å; Q780-V792 HydrophobicContact CB-CG1 3.94Å; Q780-V792 HydrophobicContact CB-CG2 4.27Å; V792-F805 HydrophobicContact CG2-CD1 4.44Å; V792-F805 HydrophobicContact CG2-CE1 4.38Å; V792-P976 HydrophobicContact CG1-CG 4.47Å
793E93.4Very high90.6Very high49 Ų4929.7 Ų29.723%0.22914%0.137CC..  trans-58.6125.1178.7-171.9155-127.600110.2V795 S798 S980 I983 W993E793-V795 HydrophobicContact CB-CG2 4.2Å; E793-V795 HydrophobicContact CG-CG1 4.19Å; E793-V795 HydrophobicContact CG-CG2 3.82Å; E793-V795 PolarHBondContact O-N 2.96Å; E793-S798 VanDerWaalsContact O-CB 3.27Å; E793-S798 WeakPolarHBondContact O-CB 3.46Å; E793-S798 PolarHBondContact O-OG 3.48Å; E793-S980 PolarHBondContact OE2-OG 2.91Å; E793-I983 WeakPolarHBondContact OE2-CD1 3.31Å; E793-W993 HydrophobicContact CB-CD2 4.25Å; E793-W993 HydrophobicContact CB-CZ2 3.79Å; E793-W993 HydrophobicContact CG-CG 4.48Å; E793-W993 PolarHBondContact OE1-NE1 2.81Å; E793-W993 VanDerWaalsContact OE1-NE1 3.09Å
794P94.4Very high91Very high18 Ų1829.7 Ų29.712%0.11714%0.137CC..SBendtrans-81.867.2-170.733.1-37.1000112.5L776 L778 L870 W993L776-P794 HydrophobicContact CD2-CB 3.8Å; L776-P794 HydrophobicContact CD2-CG 3.97Å; L776-P794 HydrophobicContact CG-CB 3.83Å; L776-P794 HydrophobicContact CG-CG 4.17Å; L778-P794 HydrophobicContact CB-CB 3.86Å; P794-L870 HydrophobicContact CB-CD2 4.49Å; P794-W993 HydrophobicContact CG-CB 4.33Å
795V92.2Very high91.8Very high40 Ų4025 Ų2524%0.24212%0.119CC..SBendtrans-136.1154.5-178.4-65.30000109.8E793 H797 S798E793-V795 HydrophobicContact CB-CG2 4.2Å; E793-V795 HydrophobicContact CG-CG1 4.19Å; E793-V795 HydrophobicContact CG-CG2 3.82Å; E793-V795 PolarHBondContact O-N 2.96Å; V795-H797 VanDerWaalsContact C-N 3.32Å; V795-H797 WeakPolarHBondContact CG2-CE1 3.44Å; V795-H797 WeakPolarHBondContact CG2-NE2 3.28Å; V795-H797 PolarHBondContact O-N 2.97Å; V795-S798 VanDerWaalsContact CG2-OG 3.27Å; V795-S798 WeakPolarHBondContact CG2-OG 3.41Å; V795-S798 WeakPolarHBondContact O-CB 3.31Å; V795-S798 PolarHBondContact O-N 3.39Å; V795-S798 VanDerWaalsContact O-N 3.13Å; V795-S798 PolarHBondContact O-OG 2.85Å
796S91.5Very high92.6Very high4 Ų416.2 Ų16.23%0.0289%0.086CC..G310 helixtrans-65.8-28.6-172.332.50000114.5S798 L799 G872 T874 Y876S796-S798 PolarHBondContact O-N 2.93Å; S796-L799 WeakPolarHBondContact O-CB 3.37Å; S796-L799 WeakPolarHBondContact O-CG 3.31Å; S796-L799 PolarHBondContact O-N 2.98Å; S796-G872 VanDerWaalsContact CB-O 3.25Å; S796-G872 WeakPolarHBondContact CB-O 3.2Å; S796-G872 PolarHBondContact OG-O 3.02Å; S796-T874 PolarHBondContact OG-N 3.03Å; S796-T874 PolarHBondContact OG-OG1 3.44Å; S796-Y876 WeakPolarHBondContact O-CB 3.47Å
797H89Confident93.2Very high75 Ų7512.5 Ų12.535%0.3477%0.069SC..G310 helixtrans-72.9-9.5175.570.262000114.5V795 L799 T874 S980V795-H797 VanDerWaalsContact C-N 3.32Å; V795-H797 WeakPolarHBondContact CG2-CE1 3.44Å; V795-H797 WeakPolarHBondContact CG2-NE2 3.28Å; V795-H797 PolarHBondContact O-N 2.97Å; H797-L799 VanDerWaalsContact C-N 3.28Å; H797-T874 PolarHBondContact N-OG1 3.1Å; H797-S980 PolarHBondContact CE1-OG 2.68Å; H797-S980 VanDerWaalsContact CE1-OG 3.31Å
798S90.7Very high93.5Very high11 Ų1111.5 Ų11.58%0.0776%0.063CC..G310 helixtrans-77.7-16.6171.8-560000112.5E793 V795 S796 F805E793-S798 VanDerWaalsContact O-CB 3.27Å; E793-S798 WeakPolarHBondContact O-CB 3.46Å; E793-S798 PolarHBondContact O-OG 3.48Å; V795-S798 VanDerWaalsContact CG2-OG 3.27Å; V795-S798 WeakPolarHBondContact CG2-OG 3.41Å; V795-S798 WeakPolarHBondContact O-CB 3.31Å; V795-S798 PolarHBondContact O-N 3.39Å; V795-S798 VanDerWaalsContact O-N 3.13Å; V795-S798 PolarHBondContact O-OG 2.85Å; S796-S798 PolarHBondContact O-N 2.93Å; S798-F805 WeakPolarHBondContact O-CE1 3.41Å; S798-F805 VanDerWaalsContact O-CZ 3.28Å; S798-F805 WeakPolarHBondContact O-CZ 3.48Å
799L92.1Very high93.6Very high2 Ų211.8 Ų11.81%0.017%0.065CC..  trans-72.3160.7173.7-56.6177.4000110.4L778 S796 H797 F805 W816 F866 W867 L870 Y876L778-L799 HydrophobicContact CD1-CD2 4.21Å; L778-L799 HydrophobicContact CD2-CD2 4.15Å; S796-L799 WeakPolarHBondContact O-CB 3.37Å; S796-L799 WeakPolarHBondContact O-CG 3.31Å; S796-L799 PolarHBondContact O-N 2.98Å; H797-L799 VanDerWaalsContact C-N 3.28Å; L799-F805 HydrophobicContact CB-CE2 4.46Å; L799-F805 HydrophobicContact CD2-CB 3.84Å; L799-F805 HydrophobicContact CD2-CD1 3.9Å; L799-F805 HydrophobicContact CD2-CD2 3.78Å; L799-F805 HydrophobicContact CD2-CE1 4.38Å; L799-F805 HydrophobicContact CD2-CE2 4.27Å; L799-F805 HydrophobicContact CD2-CG 3.57Å; L799-W816 HydrophobicContact CD1-CD2 4.38Å; L799-W816 HydrophobicContact CD2-CG 4.47Å; L799-F866 HydrophobicContact CD1-CE1 4.02Å; L799-F866 HydrophobicContact CD1-CZ 3.93Å; L799-F866 HydrophobicContact CD2-CZ 4.45Å; L799-W867 HydrophobicContact CD1-CH2 4.02Å; L799-W867 HydrophobicContact CD1-CZ3 3.75Å; L799-L870 HydrophobicContact CD1-CD1 3.99Å; L799-Y876 HydrophobicContact CB-CD2 4.37Å; L799-Y876 HydrophobicContact CB-CG 4.15Å; L799-Y876 WeakPolarHBondContact O-CB 3.2Å
800N90Very high93.4Very high8 Ų817.3 Ų17.34%0.0439%0.091CC..BIsolated β-bridgetrans-148.8168.7162.76461000109.6G802 D803 K877N800-G802 VanDerWaalsContact C-N 3.28Å; N800-G802 PolarHBondContact O-N 2.95Å; N800-G802 VanDerWaalsContact OD1-CA 3.31Å; N800-G802 WeakPolarHBondContact OD1-CA 3.42Å; N800-G802 PolarHBondContact OD1-N 2.9Å; N800-D803 VanDerWaalsContact ND2-CG 3.33Å; N800-D803 PolarHBondContact ND2-OD2 3.41Å; N800-D803 VanDerWaalsContact OD1-CG 3.23Å; N800-D803 PolarHBondContact OD1-N 3.03Å; N800-D803 PolarHBondContact OD1-OD1 3.46Å; N800-D803 PolarHBondContact OD1-OD2 3.33Å; N800-K877 CarbonylContact C-O 3.59Å; N800-K877 WeakPolarHBondContact CA-O 3.25Å; N800-K877 HydrophobicContact CB-CB 4.05Å; N800-K877 WeakPolarHBondContact CB-O 3.32Å
801S91Very high93.3Very high14 Ų1420.3 Ų20.310%0.09811%0.112CC..SBendtrans-76.7-11.4177.1-52.10000114.3G818 K819 L820 S821 E854 K877S801-G818 CarbonylContact O-C 3.59Å; S801-G818 WeakPolarHBondContact O-CA 3.2Å; S801-K819 PolarHBondContact O-N 2.9Å; S801-K819 VanDerWaalsContact O-N 3.15Å; S801-L820 WeakPolarHBondContact O-CA 3.29Å; S801-L820 WeakPolarHBondContact O-CB 3.22Å; S801-L820 PolarHBondContact O-N 3.09Å; S801-S821 PolarHBondContact O-N 2.92Å; S801-E854 WeakPolarHBondContact CA-OE2 3.37Å; S801-E854 WeakPolarHBondContact CB-OE2 3.33Å; S801-E854 VanDerWaalsContact OG-CD 3.32Å; S801-E854 PolarHBondContact OG-OE1 3.26Å; S801-E854 PolarHBondContact OG-OE2 3Å; S801-E854 VanDerWaalsContact OG-OE2 3.14Å; S801-K877 PolarHBondContact N-O 3.07Å
802G89.2Confident93.3Very high4 Ų423 Ų234%0.04112%0.124CC..SBendtrans-94.5-11.7-172.500000115.8N800 S821 S879N800-G802 VanDerWaalsContact C-N 3.28Å; N800-G802 PolarHBondContact O-N 2.95Å; N800-G802 VanDerWaalsContact OD1-CA 3.31Å; N800-G802 WeakPolarHBondContact OD1-CA 3.42Å; N800-G802 PolarHBondContact OD1-N 2.9Å; G802-S821 WeakPolarHBondContact O-CA 2.97Å; G802-S879 WeakPolarHBondContact CA-OG 3.32Å
803D93.3Very high93.4Very high0 Ų022.6 Ų22.60%012%0.122CC..SBendtrans-125.8173.6-175.6-45.9-21.7000112.6Q780 K782 N800 F805 G818Q780-D803 PolarHBondContact NE2-OD2 3Å; K782-D803 HydrophobicContact CB-CB 4.32Å; K782-D803 WeakPolarHBondContact CD-OD1 3.16Å; K782-D803 WeakPolarHBondContact CE-OD1 3.27Å; K782-D803 WeakPolarHBondContact CG-OD1 3.42Å; K782-D803 IonicContact NZ-OD1 2.73Å; K782-D803 PolarHBondContact NZ-OD1 2.88Å; N800-D803 VanDerWaalsContact ND2-CG 3.33Å; N800-D803 PolarHBondContact ND2-OD2 3.41Å; N800-D803 VanDerWaalsContact OD1-CG 3.23Å; N800-D803 PolarHBondContact OD1-N 3.03Å; N800-D803 PolarHBondContact OD1-OD1 3.46Å; N800-D803 PolarHBondContact OD1-OD2 3.33Å; D803-F805 HydrophobicContact CB-CD2 4.35Å; D803-F805 HydrophobicContact CB-CE2 3.69Å; D803-F805 HydrophobicContact CB-CZ 4.09Å; D803-G818 WeakPolarHBondContact O-CA 3.43Å; D803-G818 PolarHBondContact O-N 3.48Å
804C96Very high93.6Very high0 Ų020.4 Ų20.40%011%0.112CC..EExtended strand (participates in β ladder)trans-101.7148.1164.7-72.80000111.8V781 L815 W816 E825 A829V781-C804 HydrophobicContact CB-CB 4.19Å; V781-C804 WeakPolarHBondContact CB-O 3.1Å; V781-C804 PolarHBondContact N-O 2.83Å; V781-C804 PolarHBondContact O-N 2.86Å; C804-L815 HydrophobicContact CB-CD1 4.43Å; C804-W816 WeakPolarHBondContact CA-O 3.38Å; C804-E825 HydrophobicContact CB-CB 4.43Å; C804-A829 HydrophobicContact CB-CB 3.58Å
805F97.2Very high93.8Very high0 Ų019.8 Ų19.80%011%0.107CC..EExtended strand (participates in β ladder)trans-136.5140.9-179.9-63.6-99.8000112.7L778 I779 Q780 V792 S798 L799 D803 W816L778-F805 HydrophobicContact CD1-CB 3.95Å; L778-F805 HydrophobicContact CD1-CD1 4.31Å; L778-F805 HydrophobicContact CD2-CD1 4.43Å; L778-F805 HydrophobicContact CG-CD1 4.25Å; I779-F805 CarbonylContact O-C 3.24Å; I779-F805 VanDerWaalsContact O-CA 3.25Å; I779-F805 WeakPolarHBondContact O-CA 3.3Å; Q780-F805 HydrophobicContact CB-CD1 3.95Å; Q780-F805 HydrophobicContact CB-CE1 3.71Å; Q780-F805 HydrophobicContact CG-CD1 4.26Å; Q780-F805 HydrophobicContact CG-CE1 3.65Å; Q780-F805 HydrophobicContact CG-CZ 4.01Å; V792-F805 HydrophobicContact CG2-CD1 4.44Å; V792-F805 HydrophobicContact CG2-CE1 4.38Å; S798-F805 WeakPolarHBondContact O-CE1 3.41Å; S798-F805 VanDerWaalsContact O-CZ 3.28Å; S798-F805 WeakPolarHBondContact O-CZ 3.48Å; L799-F805 HydrophobicContact CB-CE2 4.46Å; L799-F805 HydrophobicContact CD2-CB 3.84Å; L799-F805 HydrophobicContact CD2-CD1 3.9Å; L799-F805 HydrophobicContact CD2-CD2 3.78Å; L799-F805 HydrophobicContact CD2-CE1 4.38Å; L799-F805 HydrophobicContact CD2-CE2 4.27Å; L799-F805 HydrophobicContact CD2-CG 3.57Å; D803-F805 HydrophobicContact CB-CD2 4.35Å; D803-F805 HydrophobicContact CB-CE2 3.69Å; D803-F805 HydrophobicContact CB-CZ 4.09Å; F805-W816 HydrophobicContact CB-CB 4.29Å; F805-W816 AromaticContact CD2-CD1 3.98Å; F805-W816 PolarHBondContact N-O 3Å; F805-W816 PolarHBondContact O-N 3.12Å
806L97.7Very high94Very high0 Ų017.9 Ų17.90%010%0.096CC..EExtended strand (participates in β ladder)trans-110.6122.1173-56.5-178.5000111.1L778 I779 V808 F814 L815 A829 M832 A833 I836L778-L806 CarbonylContact C-O 3.54Å; L778-L806 WeakPolarHBondContact CA-O 3.24Å; I779-L806 HydrophobicContact CB-CB 4.26Å; I779-L806 PolarHBondContact N-O 2.94Å; I779-L806 PolarHBondContact O-N 2.86Å; L806-V808 HydrophobicContact CB-CG2 4.37Å; L806-F814 CarbonylContact C-O 3.49Å; L806-F814 WeakPolarHBondContact CA-O 3.34Å; L806-L815 HydrophobicContact CD2-CB 3.78Å; L806-L815 HydrophobicContact CD2-CD1 3.67Å; L806-L815 HydrophobicContact CD2-CG 4.21Å; L806-A829 HydrophobicContact CD2-CB 4.3Å; L806-M832 HydrophobicContact CD1-CB 3.62Å; L806-M832 HydrophobicContact CD1-CE 4.3Å; L806-M832 HydrophobicContact CD1-SD 4.35Å; L806-A833 HydrophobicContact CD1-CB 4.36Å; L806-A833 HydrophobicContact CD2-CB 3.8Å; L806-I836 HydrophobicContact CD1-CD1 3.95Å
807L97.4Very high94.2Very high0 Ų018.1 Ų18.10%010%0.097CC..EExtended strand (participates in β ladder)trans-102.3110.4172.4-173.262.5000109.8L776 M777 L778 C813 F814 F866 L869 L870L776-L807 HydrophobicContact CD1-CD1 3.65Å; L776-L807 HydrophobicContact CD1-CG 4.23Å; L776-L807 HydrophobicContact CG-CD1 4.24Å; M777-L807 WeakPolarHBondContact O-CA 3.23Å; L778-L807 HydrophobicContact CB-CD1 4.21Å; L778-L807 HydrophobicContact CD1-CB 4.21Å; L778-L807 HydrophobicContact CD1-CD1 4.19Å; L807-C813 WeakPolarHBondContact O-CA 3.2Å; L807-F814 HydrophobicContact CB-CB 4.25Å; L807-F814 HydrophobicContact CB-CD2 4.4Å; L807-F814 HydrophobicContact CD2-CD2 4.36Å; L807-F814 PolarHBondContact N-O 3.35Å; L807-F814 PolarHBondContact O-N 3.37Å; L807-F866 HydrophobicContact CB-CD2 4.08Å; L807-F866 HydrophobicContact CB-CE2 3.91Å; L807-F866 HydrophobicContact CD2-CD2 3.51Å; L807-F866 HydrophobicContact CD2-CE2 3.88Å; L807-F866 HydrophobicContact CD2-CG 4.29Å; L807-F866 HydrophobicContact CG-CD2 4.45Å; L807-L869 HydrophobicContact CD2-CB 3.89Å; L807-L869 HydrophobicContact CD2-CD1 4.33Å; L807-L870 HydrophobicContact CD1-CD2 3.72Å; L807-L870 HydrophobicContact CD2-CD1 4.44Å; L807-L870 HydrophobicContact CD2-CD2 3.92Å; L807-L870 HydrophobicContact CD2-CG 3.85Å; L807-L870 HydrophobicContact CG-CD2 4.44Å
808V96.5Very high94.4Very high0 Ų014.5 Ų14.50%08%0.081CC..EExtended strand (participates in β ladder)trans-112.4131.5-172.1-171.70000111M777 I779 L806 I836 L842 C844M777-V808 HydrophobicContact CB-CB 4.45Å; M777-V808 PolarHBondContact N-O 3.12Å; M777-V808 VanDerWaalsContact N-O 3.1Å; M777-V808 PolarHBondContact O-N 2.85Å; I779-V808 HydrophobicContact CD1-CG2 4.2Å; L806-V808 HydrophobicContact CB-CG2 4.37Å; V808-I836 HydrophobicContact CG1-CG2 4.17Å; V808-I836 HydrophobicContact CG2-CD1 4.13Å; V808-L842 HydrophobicContact CG1-CB 4.41Å; V808-C844 HydrophobicContact CG1-CB 4.11Å
809T94.3Very high94.4Very high11 Ų1120.9 Ų20.97%0.06711%0.107CC..  trans-137.3176.8174.6640000110L776 S811 H812 C844 L869L776-T809 HydrophobicContact CD1-CG2 3.53Å; T809-S811 VanDerWaalsContact C-N 3.27Å; T809-S811 PolarHBondContact O-N 3.42Å; T809-H812 PolarHBondContact N-O 2.96Å; T809-H812 WeakPolarHBondContact OG1-CA 3.42Å; T809-H812 PolarHBondContact OG1-N 3.34Å; T809-H812 PolarHBondContact OG1-O 3.1Å; T809-C844 PolarHBondContact O-SG 2.85Å; T809-L869 HydrophobicContact CG2-CD1 4.13Å; T809-L869 HydrophobicContact CG2-CD2 4.26Å
810Q92.2Very high94.3Very high118 Ų11826 Ų2655%0.55113%0.133SC*.SBendtrans-63.4-30.8177.2-60.9-164.7-32.200113.2Y773 Q845Y773-Q810 HydrophobicContact CE1-CG 3.63Å; Y773-Q810 WeakPolarHBondContact OH-CG 3.29Å; Y773-Q810 PolarHBondContact OH-N 2.95Å; Y773-Q810 VanDerWaalsContact OH-N 3.12Å; Q810-Q845 WeakPolarHBondContact O-CA 3.42Å; Q810-Q845 WeakPolarHBondContact O-CB 3.45Å; Q810-Q845 PolarHBondContact O-N 3.38Å
811S92.6Very high94.2Very high65 Ų6525.8 Ų25.846%0.45513%0.133SC..SBendtrans-108.3-24.5-176.458.50000114.6T809 A846T809-S811 VanDerWaalsContact C-N 3.27Å; T809-S811 PolarHBondContact O-N 3.42Å; S811-A846 WeakPolarHBondContact O-CA 3.37Å; S811-A846 VanDerWaalsContact O-CB 3.23Å; S811-A846 WeakPolarHBondContact O-CB 3.21Å
812H94.4Very high94.2Very high56 Ų5626.2 Ų26.226%0.25913%0.134SC..  trans-133.6141.5-171.1-52.7137.7000112T809 F814 E865T809-H812 PolarHBondContact N-O 2.96Å; T809-H812 WeakPolarHBondContact OG1-CA 3.42Å; T809-H812 PolarHBondContact OG1-N 3.34Å; T809-H812 PolarHBondContact OG1-O 3.1Å; H812-F814 HydrophobicContact CB-CD2 4.13Å; H812-F814 HydrophobicContact CB-CE2 3.47Å; H812-F814 VanDerWaalsContact CB-CE2 3.47Å; H812-F814 HydrophobicContact CB-CZ 4.04Å; H812-E865 VanDerWaalsContact CE1-CD 3.44Å; H812-E865 IonicContact CE1-OE1 3.72Å; H812-E865 PolarHBondContact CE1-OE1 2.97Å; H812-E865 VanDerWaalsContact CE1-OE1 3.28Å; H812-E865 IonicContact CE1-OE2 2.76Å; H812-E865 PolarHBondContact CE1-OE2 2.78Å; H812-E865 VanDerWaalsContact CE1-OE2 3.31Å; H812-E865 IonicContact ND1-OE1 3.49Å; H812-E865 IonicContact ND1-OE2 3.16Å
813C96.8Very high94.3Very high0 Ų030.5 Ų30.50%016%0.159CC..EExtended strand (participates in β ladder)trans-126111.6168.4-178.80000107.6L807 V837 A846 V850L807-C813 WeakPolarHBondContact O-CA 3.2Å; C813-V837 HydrophobicContact CB-CG2 3.84Å; C813-A846 HydrophobicContact CB-CB 4.37Å; C813-V850 PolarHBondContact O-N 3.39Å
814F97.6Very high94.1Very high3 Ų334.1 Ų34.11%0.01318%0.178CC..EExtended strand (participates in β ladder)trans-101.6139.5174.4-55.9-98.7000109.5L806 L807 H812 V850 L852 Q862 E865 F866 L869L806-F814 CarbonylContact C-O 3.49Å; L806-F814 WeakPolarHBondContact CA-O 3.34Å; L807-F814 HydrophobicContact CB-CB 4.25Å; L807-F814 HydrophobicContact CB-CD2 4.4Å; L807-F814 HydrophobicContact CD2-CD2 4.36Å; L807-F814 PolarHBondContact N-O 3.35Å; L807-F814 PolarHBondContact O-N 3.37Å; H812-F814 HydrophobicContact CB-CD2 4.13Å; H812-F814 HydrophobicContact CB-CE2 3.47Å; H812-F814 VanDerWaalsContact CB-CE2 3.47Å; H812-F814 HydrophobicContact CB-CZ 4.04Å; F814-V850 CarbonylContact C-O 3.53Å; F814-V850 VanDerWaalsContact CA-O 3.27Å; F814-V850 WeakPolarHBondContact CA-O 3.29Å; F814-V850 HydrophobicContact CD1-CB 3.6Å; F814-V850 HydrophobicContact CD1-CG1 3.52Å; F814-V850 HydrophobicContact CD1-CG2 4.35Å; F814-V850 HydrophobicContact CE1-CB 4.04Å; F814-V850 HydrophobicContact CE1-CG1 3.79Å; F814-V850 HydrophobicContact CE1-CG2 4.36Å; F814-V850 HydrophobicContact CG-CB 4.27Å; F814-L852 HydrophobicContact CD1-CD1 3.92Å; F814-L852 HydrophobicContact CD1-CG 4.49Å; F814-Q862 WeakPolarHBondContact CE1-O 3.47Å; F814-E865 HydrophobicContact CZ-CB 4.33Å; F814-E865 HydrophobicContact CZ-CG 4.23Å; F814-F866 HydrophobicContact CB-CD2 3.74Å; F814-F866 HydrophobicContact CB-CE2 4.27Å; F814-F866 HydrophobicContact CD1-CB 3.93Å; F814-F866 HydrophobicContact CD1-CD2 4.27Å; F814-F866 HydrophobicContact CD2-CD2 4.3Å; F814-F866 HydrophobicContact CE1-CB 3.98Å; F814-F866 HydrophobicContact CG-CB 4.26Å; F814-F866 AromaticContact CG-CD2 3.88Å; F814-F866 HydrophobicContact CG-CD2 3.88Å; F814-F866 HydrophobicContact CZ-CB 4.34Å; F814-L869 HydrophobicContact CD2-CD1 4.46Å; F814-L869 HydrophobicContact CE2-CD1 3.63Å; F814-L869 HydrophobicContact CZ-CD1 4.33Å
815L97.8Very high94Very high4 Ų434.1 Ų34.12%0.02118%0.178CC..EExtended strand (participates in β ladder)trans-107.4114.3165.2163.452.6000107.7C804 L806 A829 V849 V850 L852C804-L815 HydrophobicContact CB-CD1 4.43Å; L806-L815 HydrophobicContact CD2-CB 3.78Å; L806-L815 HydrophobicContact CD2-CD1 3.67Å; L806-L815 HydrophobicContact CD2-CG 4.21Å; L815-A829 HydrophobicContact CD1-CB 3.61Å; L815-V849 HydrophobicContact CB-CG1 3.9Å; L815-V850 PolarHBondContact N-O 2.93Å; L815-L852 PolarHBondContact O-N 2.91Å
816W97.1Very high93.9Very high0 Ų038.3 Ų38.30%019%0.194CC..EExtended strand (participates in β ladder)trans-93122.4168.7174.7-85.4000110.1L799 C804 F805 L852 E854 T858 F866 W867 Y876L799-W816 HydrophobicContact CD1-CD2 4.38Å; L799-W816 HydrophobicContact CD2-CG 4.47Å; C804-W816 WeakPolarHBondContact CA-O 3.38Å; F805-W816 HydrophobicContact CB-CB 4.29Å; F805-W816 AromaticContact CD2-CD1 3.98Å; F805-W816 PolarHBondContact N-O 3Å; F805-W816 PolarHBondContact O-N 3.12Å; W816-L852 CarbonylContact C-O 3.55Å; W816-L852 VanDerWaalsContact CA-O 3.3Å; W816-L852 WeakPolarHBondContact CA-O 3.5Å; W816-L852 HydrophobicContact CE3-CB 3.95Å; W816-E854 HydrophobicContact CH2-CB 4.25Å; W816-E854 HydrophobicContact CH2-CG 4.36Å; W816-E854 HydrophobicContact CZ2-CB 3.73Å; W816-E854 HydrophobicContact CZ2-CG 3.86Å; W816-T858 HydrophobicContact CH2-CG2 3.71Å; W816-T858 HydrophobicContact CZ3-CG2 3.92Å; W816-F866 HydrophobicContact CB-CE2 4.11Å; W816-F866 HydrophobicContact CB-CZ 3.79Å; W816-F866 HydrophobicContact CD2-CE1 4.19Å; W816-F866 HydrophobicContact CD2-CZ 4.04Å; W816-F866 HydrophobicContact CE3-CD1 4.36Å; W816-F866 AromaticContact CE3-CE1 3.53Å; W816-F866 HydrophobicContact CE3-CE1 3.53Å; W816-F866 AromaticContact CE3-CZ 3.76Å; W816-F866 HydrophobicContact CE3-CZ 3.76Å; W816-F866 HydrophobicContact CG-CZ 4.07Å; W816-F866 HydrophobicContact CZ3-CE1 4.04Å; W816-W867 HydrophobicContact CE3-CH2 4.44Å; W816-W867 HydrophobicContact CE3-CZ2 4.47Å; W816-W867 AromaticContact CH2-CH2 3.63Å; W816-W867 HydrophobicContact CH2-CH2 3.63Å; W816-W867 AromaticContact CH2-CZ2 3.6Å; W816-W867 HydrophobicContact CH2-CZ2 3.6Å; W816-W867 HydrophobicContact CZ2-CH2 4.32Å; W816-W867 AromaticContact CZ3-CH2 3.7Å; W816-W867 HydrophobicContact CZ3-CH2 3.7Å; W816-W867 AromaticContact CZ3-CZ2 3.47Å; W816-W867 HydrophobicContact CZ3-CZ2 3.47Å; W816-W867 VanDerWaalsContact CZ3-CZ2 3.47Å; W816-Y876 HydrophobicContact CZ2-CE1 4.42Å; W816-Y876 AromaticContact CZ2-CZ 3.94Å; W816-Y876 WeakPolarHBondContact CZ2-OH 3.42Å
817T96.4Very high93.7Very high9 Ų945 Ų456%0.05523%0.225CC..EExtended strand (participates in β ladder)trans-102.5110175.5-490000109.6R826 L852 D853 E854T817-R826 HydrophobicContact CG2-CG 3.86Å; T817-L852 PolarHBondContact N-O 2.83Å; T817-D853 WeakPolarHBondContact CB-OD1 3.06Å; T817-D853 PolarHBondContact OG1-OD1 3.18Å; T817-E854 WeakPolarHBondContact O-CB 3.19Å; T817-E854 PolarHBondContact O-N 3Å
818G92.1Very high93.6Very high0 Ų046.4 Ų46.40%023%0.231CC..  trans-61.7139.2169.500000110.9S801 D803 L820 S821 R826S801-G818 CarbonylContact O-C 3.59Å; S801-G818 WeakPolarHBondContact O-CA 3.2Å; D803-G818 WeakPolarHBondContact O-CA 3.43Å; D803-G818 PolarHBondContact O-N 3.48Å; G818-L820 PolarHBondContact O-N 3.15Å; G818-L820 VanDerWaalsContact O-N 3.14Å; G818-S821 WeakPolarHBondContact O-CB 3.48Å; G818-S821 PolarHBondContact O-N 3.44Å; G818-S821 PolarHBondContact O-OG 3.46Å; G818-R826 PolarHBondContact O-NH2 3.31Å
819K90.8Very high93.6Very high145 Ų14546.4 Ų46.463%0.6323%0.231SC*.THydrogen-bonded Turntrans-55.6-35.9-173.6179.7177177-178.40112.6S801 R826 E854S801-K819 PolarHBondContact O-N 2.9Å; S801-K819 VanDerWaalsContact O-N 3.15Å; K819-R826 PolarHBondContact O-NH2 2.84Å; K819-E854 HydrophobicContact CB-CB 4.07Å; K819-E854 HydrophobicContact CB-CG 4.15Å; K819-E854 WeakPolarHBondContact CB-OE2 3.49Å; K819-E854 PolarHBondContact N-OE2 2.89Å
820L88.9Confident93.7Very high108 Ų10848 Ų4857%0.56524%0.242SC*.THydrogen-bonded Turntrans-103.3-1.7-173.5-62.2169.4000113.4S801 G818 S879S801-L820 WeakPolarHBondContact O-CA 3.29Å; S801-L820 WeakPolarHBondContact O-CB 3.22Å; S801-L820 PolarHBondContact O-N 3.09Å; G818-L820 PolarHBondContact O-N 3.15Å; G818-L820 VanDerWaalsContact O-N 3.14Å; L820-S879 VanDerWaalsContact CD1-CB 3.45Å
821S89.9Confident93.9Very high5 Ų545.3 Ų45.34%0.03523%0.23CC..  trans-54.4146.3175.561.30000113.8S801 G802 G818 R826S801-S821 PolarHBondContact O-N 2.92Å; G802-S821 WeakPolarHBondContact O-CA 2.97Å; G818-S821 WeakPolarHBondContact O-CB 3.48Å; G818-S821 PolarHBondContact O-N 3.44Å; G818-S821 PolarHBondContact O-OG 3.46Å; S821-R826 VanDerWaalsContact O-CZ 3.25Å; S821-R826 PolarHBondContact O-NE 2.89Å; S821-R826 PolarHBondContact O-NH2 3.1Å; S821-R826 VanDerWaalsContact OG-CZ 3.27Å; S821-R826 PolarHBondContact OG-NE 2.9Å; S821-R826 PolarHBondContact OG-NH2 2.91Å
822N89.4Confident94Very high23 Ų2342.2 Ų42.212%0.12321%0.208CC..  trans-80.9165.9-174.680.352.6000112.1G783 I824 E825 R826G783-N822 PolarHBondContact O-ND2 3.34Å; N822-I824 VanDerWaalsContact C-N 3.31Å; N822-I824 PolarHBondContact O-N 3.22Å; N822-I824 WeakPolarHBondContact OD1-CA 3.47Å; N822-I824 WeakPolarHBondContact OD1-CB 3.15Å; N822-I824 PolarHBondContact OD1-N 3Å; N822-E825 VanDerWaalsContact CG-CD 3.47Å; N822-E825 PolarHBondContact N-OE2 2.96Å; N822-E825 PolarHBondContact ND2-OE1 2.9Å; N822-E825 PolarHBondContact ND2-OE2 3.47Å; N822-E825 PolarHBondContact O-N 2.93Å; N822-E825 PolarHBondContact OD1-N 2.7Å; N822-R826 VanDerWaalsContact O-CG 3.32Å; N822-R826 WeakPolarHBondContact O-CG 3.48Å; N822-R826 PolarHBondContact O-N 3.23Å
823T91Very high94.2Very high93 Ų9339.5 Ų39.557%0.57120%0.196SC*.Hα-helixtrans-65.5-34.2-174.646.90000112.9R826 E827T823-R826 PolarHBondContact O-N 2.74Å; T823-E827 WeakPolarHBondContact O-CB 3.38Å; T823-E827 WeakPolarHBondContact O-CG 3.37Å; T823-E827 PolarHBondContact O-N 3.16Å
824I90.5Very high94.1Very high76 Ų7642 Ų4239%0.3921%0.213SC..Hα-helixtrans-70.4-41.9-177.8-49.4177.4000109.6V787 N822 K828V787-I824 HydrophobicContact CG2-CB 4.3Å; V787-I824 HydrophobicContact CG2-CG2 3.73Å; N822-I824 VanDerWaalsContact C-N 3.31Å; N822-I824 PolarHBondContact O-N 3.22Å; N822-I824 WeakPolarHBondContact OD1-CA 3.47Å; N822-I824 WeakPolarHBondContact OD1-CB 3.15Å; N822-I824 PolarHBondContact OD1-N 3Å; I824-K828 WeakPolarHBondContact O-CB 3.49Å; I824-K828 PolarHBondContact O-N 3.29Å
825E94Very high93.9Very high0 Ų043.6 Ų43.60%022%0.222CC..Hα-helixtrans-60.6-44.5173.6-67.4163.8162.400112.3V781 K782 G783 V787 C804 N822 K828 A829V781-E825 HydrophobicContact CG1-CB 4.47Å; K782-E825 VanDerWaalsContact CA-OE1 3.24Å; K782-E825 WeakPolarHBondContact CA-OE1 3.47Å; G783-E825 PolarHBondContact N-OE1 2.81Å; V787-E825 HydrophobicContact CG2-CG 4.28Å; C804-E825 HydrophobicContact CB-CB 4.43Å; N822-E825 VanDerWaalsContact CG-CD 3.47Å; N822-E825 PolarHBondContact N-OE2 2.96Å; N822-E825 PolarHBondContact ND2-OE1 2.9Å; N822-E825 PolarHBondContact ND2-OE2 3.47Å; N822-E825 PolarHBondContact O-N 2.93Å; N822-E825 PolarHBondContact OD1-N 2.7Å; E825-K828 PolarHBondContact O-N 3.04Å; E825-A829 VanDerWaalsContact O-CB 3.25Å; E825-A829 WeakPolarHBondContact O-CB 3.46Å; E825-A829 PolarHBondContact O-N 3.05Å
826R95.4Very high93.8Very high89 Ų8943.4 Ų43.434%0.33622%0.221SC..Hα-helixtrans-63.2-49.1178.7-68.7176-161-122.53.5112T817 G818 K819 S821 N822 T823 K828 S830T817-R826 HydrophobicContact CG2-CG 3.86Å; G818-R826 PolarHBondContact O-NH2 3.31Å; K819-R826 PolarHBondContact O-NH2 2.84Å; S821-R826 VanDerWaalsContact O-CZ 3.25Å; S821-R826 PolarHBondContact O-NE 2.89Å; S821-R826 PolarHBondContact O-NH2 3.1Å; S821-R826 VanDerWaalsContact OG-CZ 3.27Å; S821-R826 PolarHBondContact OG-NE 2.9Å; S821-R826 PolarHBondContact OG-NH2 2.91Å; N822-R826 VanDerWaalsContact O-CG 3.32Å; N822-R826 WeakPolarHBondContact O-CG 3.48Å; N822-R826 PolarHBondContact O-N 3.23Å; T823-R826 PolarHBondContact O-N 2.74Å; R826-K828 VanDerWaalsContact C-N 3.32Å; R826-K828 PolarHBondContact O-N 3.33Å; R826-S830 VanDerWaalsContact O-CB 3.24Å; R826-S830 WeakPolarHBondContact O-CB 3.09Å; R826-S830 PolarHBondContact O-N 2.7Å
827E93.7Very high93.7Very high140 Ų14044.5 Ų44.565%0.65423%0.227SC*.Hα-helixtrans-59.7-45.4175.4-74.5175.5-176.500110.6T823 S830 E831T823-E827 WeakPolarHBondContact O-CB 3.38Å; T823-E827 WeakPolarHBondContact O-CG 3.37Å; T823-E827 PolarHBondContact O-N 3.16Å; E827-S830 PolarHBondContact O-N 3.37Å; E827-E831 WeakPolarHBondContact O-CB 3.39Å; E827-E831 PolarHBondContact O-N 3.19Å
828K94.1Very high93.5Very high30 Ų3049.6 Ų49.613%0.1326%0.258CS..Hα-helixtrans-69.2-41.9-176.1-164.646.4157.8153.50113.3V781 V787 I824 E825 R826 E831 M832 E1010 F1016V781-K828 HydrophobicContact CG1-CB 4.29Å; V781-K828 HydrophobicContact CG1-CG 4.47Å; V787-K828 HydrophobicContact CG1-CG 4.32Å; I824-K828 WeakPolarHBondContact O-CB 3.49Å; I824-K828 PolarHBondContact O-N 3.29Å; E825-K828 PolarHBondContact O-N 3.04Å; R826-K828 VanDerWaalsContact C-N 3.32Å; R826-K828 PolarHBondContact O-N 3.33Å; K828-E831 IonicContact NZ-OE2 3.17Å; K828-E831 PolarHBondContact NZ-OE2 3.3Å; K828-E831 PolarHBondContact O-N 2.88Å; K828-M832 WeakPolarHBondContact O-CB 3.44Å; K828-M832 WeakPolarHBondContact O-CG 3.2Å; K828-M832 PolarHBondContact O-N 2.6Å; K828-E1010 VanDerWaalsContact CE-CD 3.46Å; K828-E1010 VanDerWaalsContact CE-OE1 3.26Å; K828-E1010 WeakPolarHBondContact CE-OE1 3.47Å; K828-E1010 WeakPolarHBondContact CE-OE2 3.44Å; K828-E1010 IonicContact NZ-OE1 3.43Å; K828-E1010 PolarHBondContact NZ-OE1 2.71Å; K828-E1010 IonicContact NZ-OE2 3.64Å; K828-E1010 PolarHBondContact NZ-OE2 2.83Å; K828-F1016 VanDerWaalsContact NZ-CG 3.34Å
829A96.9Very high93.5Very high0 Ų054.9 Ų54.90%028%0.283CS..Hα-helixtrans-67.1-37.2175.500000111.7V781 C804 L806 L815 E825 M832 A833V781-A829 HydrophobicContact CB-CB 4.24Å; V781-A829 HydrophobicContact CG1-CB 4.21Å; V781-A829 HydrophobicContact CG2-CB 4.05Å; C804-A829 HydrophobicContact CB-CB 3.58Å; L806-A829 HydrophobicContact CD2-CB 4.3Å; L815-A829 HydrophobicContact CD1-CB 3.61Å; E825-A829 VanDerWaalsContact O-CB 3.25Å; E825-A829 WeakPolarHBondContact O-CB 3.46Å; E825-A829 PolarHBondContact O-N 3.05Å; A829-M832 PolarHBondContact O-N 3.46Å; A829-A833 VanDerWaalsContact O-CB 3.31Å; A829-A833 WeakPolarHBondContact O-CB 3.28Å; A829-A833 PolarHBondContact O-N 3.05Å
830S96.5Very high93.5Very high43 Ų4355.7 Ų55.730%0.30128%0.282SS..Hα-helixtrans-65.9-43174.8-171.10000112.6R826 E827 S834R826-S830 VanDerWaalsContact O-CB 3.24Å; R826-S830 WeakPolarHBondContact O-CB 3.09Å; R826-S830 PolarHBondContact O-N 2.7Å; E827-S830 PolarHBondContact O-N 3.37Å; S830-S834 VanDerWaalsContact O-CB 3.29Å; S830-S834 WeakPolarHBondContact O-CB 3.44Å; S830-S834 PolarHBondContact O-N 3.24Å; S830-S834 PolarHBondContact O-OG 2.81Å
831E95.3Very high93.6Very high62 Ų6251.3 Ų51.329%0.2926%0.259SS..Hα-helixtrans-60.2-51.5172.5178.2176.8-129.300111.2E827 K828 A833 S834 L835 F1016E827-E831 WeakPolarHBondContact O-CB 3.39Å; E827-E831 PolarHBondContact O-N 3.19Å; K828-E831 IonicContact NZ-OE2 3.17Å; K828-E831 PolarHBondContact NZ-OE2 3.3Å; K828-E831 PolarHBondContact O-N 2.88Å; E831-A833 PolarHBondContact O-N 3.22Å; E831-S834 WeakPolarHBondContact O-CB 3.38Å; E831-S834 PolarHBondContact O-N 3.39Å; E831-L835 HydrophobicContact CG-CD1 3.8Å; E831-L835 WeakPolarHBondContact O-CB 3.39Å; E831-L835 VanDerWaalsContact O-CG 3.3Å; E831-L835 WeakPolarHBondContact O-CG 3.14Å; E831-L835 PolarHBondContact O-N 3.4Å; E831-F1016 VanDerWaalsContact CD-CD1 3.41Å; E831-F1016 HydrophobicContact CG-CE1 3.96Å; E831-F1016 VanDerWaalsContact OE1-CD1 3.25Å; E831-F1016 WeakPolarHBondContact OE1-CD1 3.41Å; E831-F1016 WeakPolarHBondContact OE1-CE1 3.43Å; E831-F1016 WeakPolarHBondContact OE2-CD1 3.2Å; E831-F1016 WeakPolarHBondContact OE2-CE1 3.38Å
832M96Very high93.6Very high0 Ų051 Ų510%026%0.258CS..Hα-helixtrans-56.5-49.9177.3-82.7-166.674.700112.5V781 V789 L806 K828 A829 S834 L835 I836 I1006 E1010V781-M832 HydrophobicContact CG2-SD 4.34Å; V789-M832 HydrophobicContact CB-SD 4.4Å; V789-M832 HydrophobicContact CG1-CE 3.78Å; V789-M832 HydrophobicContact CG1-SD 3.74Å; V789-M832 HydrophobicContact CG2-SD 3.75Å; L806-M832 HydrophobicContact CD1-CB 3.62Å; L806-M832 HydrophobicContact CD1-CE 4.3Å; L806-M832 HydrophobicContact CD1-SD 4.35Å; K828-M832 WeakPolarHBondContact O-CB 3.44Å; K828-M832 WeakPolarHBondContact O-CG 3.2Å; K828-M832 PolarHBondContact O-N 2.6Å; A829-M832 PolarHBondContact O-N 3.46Å; M832-S834 VanDerWaalsContact C-N 3.32Å; M832-S834 PolarHBondContact O-N 2.65Å; M832-L835 PolarHBondContact O-N 2.93Å; M832-L835 VanDerWaalsContact O-N 3.17Å; M832-I836 VanDerWaalsContact O-CG1 3.27Å; M832-I836 WeakPolarHBondContact O-CG1 3.48Å; M832-I836 PolarHBondContact O-N 3.3Å; M832-I1006 HydrophobicContact CE-CG1 4.11Å; M832-I1006 HydrophobicContact CE-CG2 4.49Å; M832-I1006 HydrophobicContact CG-CG1 4.17Å; M832-E1010 HydrophobicContact CE-CG 4.03Å; M832-E1010 HydrophobicContact CG-CG 4.14Å; M832-E1010 WeakPolarHBondContact CG-OE1 3.07Å; M832-E1010 HydrophobicContact SD-CG 3.87Å
833A97.1Very high93.4Very high0 Ų050.9 Ų50.90%026%0.261CS..Hα-helixtrans-60-44.2179.700000111.4L806 A829 E831 L835 I836 V837 V849L806-A833 HydrophobicContact CD1-CB 4.36Å; L806-A833 HydrophobicContact CD2-CB 3.8Å; A829-A833 VanDerWaalsContact O-CB 3.31Å; A829-A833 WeakPolarHBondContact O-CB 3.28Å; A829-A833 PolarHBondContact O-N 3.05Å; E831-A833 PolarHBondContact O-N 3.22Å; A833-L835 VanDerWaalsContact C-N 3.31Å; A833-L835 PolarHBondContact O-N 3.48Å; A833-I836 PolarHBondContact O-N 3.32Å; A833-V837 WeakPolarHBondContact O-CG2 3.32Å; A833-V837 PolarHBondContact O-N 2.62Å; A833-V837 VanDerWaalsContact O-N 3.1Å; A833-V849 HydrophobicContact CB-CB 4.34Å; A833-V849 HydrophobicContact CB-CG1 3.7Å; A833-V849 HydrophobicContact CB-CG2 3.63Å
834S95.9Very high93.4Very high51 Ų5146.5 Ų46.536%0.35723%0.234SC..Hα-helixtrans-60.5-39.7176-61.90000112.1S830 E831 M832 T838S830-S834 VanDerWaalsContact O-CB 3.29Å; S830-S834 WeakPolarHBondContact O-CB 3.44Å; S830-S834 PolarHBondContact O-N 3.24Å; S830-S834 PolarHBondContact O-OG 2.81Å; E831-S834 WeakPolarHBondContact O-CB 3.38Å; E831-S834 PolarHBondContact O-N 3.39Å; M832-S834 VanDerWaalsContact C-N 3.32Å; M832-S834 PolarHBondContact O-N 2.65Å; S834-T838 WeakPolarHBondContact O-CB 3.34Å; S834-T838 PolarHBondContact O-N 3.08Å; S834-T838 PolarHBondContact O-OG1 2.82Å
835L93.9Very high93.5Very high38 Ų3848.7 Ų48.720%0.19924%0.243CC..Hα-helixtrans-72.4-41.6178.1-70.6168.9000112.6E831 M832 A833 V837 T838 Q839 I1006 F1016E831-L835 HydrophobicContact CG-CD1 3.8Å; E831-L835 WeakPolarHBondContact O-CB 3.39Å; E831-L835 VanDerWaalsContact O-CG 3.3Å; E831-L835 WeakPolarHBondContact O-CG 3.14Å; E831-L835 PolarHBondContact O-N 3.4Å; M832-L835 PolarHBondContact O-N 2.93Å; M832-L835 VanDerWaalsContact O-N 3.17Å; A833-L835 VanDerWaalsContact C-N 3.31Å; A833-L835 PolarHBondContact O-N 3.48Å; L835-V837 VanDerWaalsContact C-N 3.34Å; L835-V837 PolarHBondContact O-N 2.74Å; L835-T838 PolarHBondContact O-N 3.49Å; L835-Q839 VanDerWaalsContact O-CB 3.3Å; L835-Q839 WeakPolarHBondContact O-CB 3.5Å; L835-Q839 WeakPolarHBondContact O-CG 3.43Å; L835-Q839 PolarHBondContact O-N 3.47Å; L835-I1006 HydrophobicContact CB-CD1 4.1Å; L835-I1006 HydrophobicContact CB-CG1 4.47Å; L835-I1006 HydrophobicContact CD1-CD1 3.62Å; L835-F1016 HydrophobicContact CD1-CE1 3.74Å; L835-F1016 HydrophobicContact CD1-CZ 4.01Å
836I94.3Very high93.4Very high0 Ų049.2 Ų49.20%025%0.247CC..Hα-helixtrans-54.1-51.7174.1-71162.5000110.2L806 V808 M832 A833 R840 D841 L842 C844 I1006L806-I836 HydrophobicContact CD1-CD1 3.95Å; V808-I836 HydrophobicContact CG1-CG2 4.17Å; V808-I836 HydrophobicContact CG2-CD1 4.13Å; M832-I836 VanDerWaalsContact O-CG1 3.27Å; M832-I836 WeakPolarHBondContact O-CG1 3.48Å; M832-I836 PolarHBondContact O-N 3.3Å; A833-I836 PolarHBondContact O-N 3.32Å; I836-R840 WeakPolarHBondContact O-CA 3.11Å; I836-R840 PolarHBondContact O-N 3.23Å; I836-D841 PolarHBondContact O-N 3.43Å; I836-D841 VanDerWaalsContact O-N 3.07Å; I836-L842 HydrophobicContact CD1-CD1 3.91Å; I836-L842 HydrophobicContact CG1-CD1 4.02Å; I836-C844 HydrophobicContact CG2-CB 3.62Å; I836-I1006 HydrophobicContact CD1-CG2 4.29Å; I836-I1006 HydrophobicContact CG1-CG2 3.65Å
837V94.6Very high93.1Very high23 Ų2352.3 Ų52.314%0.13928%0.276CS..Hα-helixtrans-66.6-48.9179.5172.30000111.7C813 A833 L835 Q839 R840 A846 V849C813-V837 HydrophobicContact CB-CG2 3.84Å; A833-V837 WeakPolarHBondContact O-CG2 3.32Å; A833-V837 PolarHBondContact O-N 2.62Å; A833-V837 VanDerWaalsContact O-N 3.1Å; L835-V837 VanDerWaalsContact C-N 3.34Å; L835-V837 PolarHBondContact O-N 2.74Å; V837-Q839 PolarHBondContact O-N 3.14Å; V837-R840 PolarHBondContact O-N 3.15Å; V837-A846 HydrophobicContact CG2-CB 4.33Å; V837-V849 HydrophobicContact CB-CG2 4.46Å; V837-V849 HydrophobicContact CG2-CG2 3.81Å
838T93.2Very high93Very high115 Ų11547.1 Ų47.171%0.70626%0.261SS*.Hα-helixtrans-67.9-37.9-174.2-58.30000112.7S834 L835S834-T838 WeakPolarHBondContact O-CB 3.34Å; S834-T838 PolarHBondContact O-N 3.08Å; S834-T838 PolarHBondContact O-OG1 2.82Å; L835-T838 PolarHBondContact O-N 3.49Å
839Q91.4Very high93.1Very high111 Ų11147.2 Ų47.252%0.51926%0.264SS..Hα-helixtrans-91-7.9-178.7-57.8-171.45.300113.1L835 V837 D841L835-Q839 VanDerWaalsContact O-CB 3.3Å; L835-Q839 WeakPolarHBondContact O-CB 3.5Å; L835-Q839 WeakPolarHBondContact O-CG 3.43Å; L835-Q839 PolarHBondContact O-N 3.47Å; V837-Q839 PolarHBondContact O-N 3.14Å; Q839-D841 HydrophobicContact CB-CB 4.36Å; Q839-D841 PolarHBondContact O-N 2.82Å
840R91.3Very high93.1Very high162 Ų16248.5 Ų48.561%0.61127%0.271SS*.THydrogen-bonded Turntrans54.835.3-168.5-59.2-178.9175.9-126.2-5.2112.6I836 V837 C844I836-R840 WeakPolarHBondContact O-CA 3.11Å; I836-R840 PolarHBondContact O-N 3.23Å; V837-R840 PolarHBondContact O-N 3.15Å; R840-C844 WeakPolarHBondContact CA-O 3.25Å; R840-C844 WeakPolarHBondContact CB-O 3.46Å
841D90.7Very high93.1Very high16 Ų1650.2 Ų50.29%0.08628%0.275CS..  trans-77.7166.1179.2-166.117.5000110.8I836 Q839 G843 C844 T1005 I1006I836-D841 PolarHBondContact O-N 3.43Å; I836-D841 VanDerWaalsContact O-N 3.07Å; Q839-D841 HydrophobicContact CB-CB 4.36Å; Q839-D841 PolarHBondContact O-N 2.82Å; D841-G843 PolarHBondContact O-N 2.58Å; D841-G843 VanDerWaalsContact O-N 3.1Å; D841-C844 WeakPolarHBondContact O-CB 3.34Å; D841-C844 PolarHBondContact O-N 2.86Å; D841-T1005 WeakPolarHBondContact OD1-CG2 3.39Å; D841-T1005 WeakPolarHBondContact OD2-CA 3.47Å; D841-T1005 WeakPolarHBondContact OD2-CB 3.48Å; D841-I1006 VanDerWaalsContact OD2-CG2 3.28Å; D841-I1006 WeakPolarHBondContact OD2-CG2 3.21Å; D841-I1006 PolarHBondContact OD2-N 3.14Å
842L90.5Very high93.1Very high0 Ų047.3 Ų47.30%026%0.261CS..THydrogen-bonded Turntrans49.637.9-174.6-50.6-179.7000111.6Y773 M777 I779 V808 I836 C844 T1005 I1006 L1007Y773-L842 WeakPolarHBondContact CD2-O 3.28Å; Y773-L842 WeakPolarHBondContact CE2-O 3.34Å; M777-L842 HydrophobicContact CE-CB 4.26Å; M777-L842 HydrophobicContact CE-CD1 3.89Å; M777-L842 HydrophobicContact CE-CD2 4.26Å; M777-L842 HydrophobicContact CE-CG 4.36Å; I779-L842 HydrophobicContact CD1-CD1 3.93Å; V808-L842 HydrophobicContact CG1-CB 4.41Å; I836-L842 HydrophobicContact CD1-CD1 3.91Å; I836-L842 HydrophobicContact CG1-CD1 4.02Å; L842-C844 PolarHBondContact O-N 2.94Å; L842-T1005 HydrophobicContact CD2-CG2 3.97Å; L842-I1006 HydrophobicContact CD1-CG2 3.88Å; L842-I1006 HydrophobicContact CG-CG2 4.03Å; L842-L1007 HydrophobicContact CD1-CB 4.17Å; L842-L1007 HydrophobicContact CD2-CB 4.09Å
843G85.7Confident93Very high19 Ų1950 Ų5020%0.19628%0.275CS..THydrogen-bonded Turntrans646179.500000116.1D841D841-G843 PolarHBondContact O-N 2.58Å; D841-G843 VanDerWaalsContact O-N 3.1Å
844C91.3Very high92.8Very high1 Ų151.2 Ų51.21%0.00728%0.281CS..  trans-74.6136.2-173-164.90000111.9V808 T809 I836 R840 D841 L842V808-C844 HydrophobicContact CG1-CB 4.11Å; T809-C844 PolarHBondContact O-SG 2.85Å; I836-C844 HydrophobicContact CG2-CB 3.62Å; R840-C844 WeakPolarHBondContact CA-O 3.25Å; R840-C844 WeakPolarHBondContact CB-O 3.46Å; D841-C844 WeakPolarHBondContact O-CB 3.34Å; D841-C844 PolarHBondContact O-N 2.86Å; L842-C844 PolarHBondContact O-N 2.94Å
845Q91.1Very high92.4Very high122 Ų12252 Ų5257%0.5730%0.297SS*.  trans-124.617.7175.7-49-170.321.700112.5Q810Q810-Q845 WeakPolarHBondContact O-CA 3.42Å; Q810-Q845 WeakPolarHBondContact O-CB 3.45Å; Q810-Q845 PolarHBondContact O-N 3.38Å
846A91.7Very high92Very high11 Ų1155.8 Ų55.89%0.09132%0.322CS..  trans-57.2149.6173.300000111.4S811 C813 V837S811-A846 WeakPolarHBondContact O-CA 3.37Å; S811-A846 VanDerWaalsContact O-CB 3.23Å; S811-A846 WeakPolarHBondContact O-CB 3.21Å; C813-A846 HydrophobicContact CB-CB 4.37Å; V837-A846 HydrophobicContact CG2-CB 4.33Å
847T89.9Confident91.8Very high154 Ų15458 Ų5895%0.94533%0.334SS*.SBendtrans-88.6-7178.349.60000113.6
848G92.5Very high91.3Very high32 Ų3258 Ų5833%0.3333%0.333SS..SBendtrans-172.8171.6-177.900000111
849V96Very high90.9Very high32 Ų3259.4 Ų59.419%0.19434%0.337CS..EExtended strand (participates in β ladder)trans-90.1138.2170.4-178.50000108.8L815 A833 V837L815-V849 HydrophobicContact CB-CG1 3.9Å; A833-V849 HydrophobicContact CB-CB 4.34Å; A833-V849 HydrophobicContact CB-CG1 3.7Å; A833-V849 HydrophobicContact CB-CG2 3.63Å; V837-V849 HydrophobicContact CB-CG2 4.46Å; V837-V849 HydrophobicContact CG2-CG2 3.81Å
850V96Very high90.8Very high26 Ų2655.8 Ų55.816%0.15832%0.324CS..EExtended strand (participates in β ladder)trans-101.6109.6173.1179.90000108.7C813 F814 L815 L852 Q862C813-V850 PolarHBondContact O-N 3.39Å; F814-V850 CarbonylContact C-O 3.53Å; F814-V850 VanDerWaalsContact CA-O 3.27Å; F814-V850 WeakPolarHBondContact CA-O 3.29Å; F814-V850 HydrophobicContact CD1-CB 3.6Å; F814-V850 HydrophobicContact CD1-CG1 3.52Å; F814-V850 HydrophobicContact CD1-CG2 4.35Å; F814-V850 HydrophobicContact CE1-CB 4.04Å; F814-V850 HydrophobicContact CE1-CG1 3.79Å; F814-V850 HydrophobicContact CE1-CG2 4.36Å; F814-V850 HydrophobicContact CG-CB 4.27Å; L815-V850 PolarHBondContact N-O 2.93Å; V850-L852 HydrophobicContact CG1-CG 4.5Å; V850-Q862 HydrophobicContact CG1-CB 3.82Å; V850-Q862 HydrophobicContact CG1-CG 4.09Å
851H96.5Very high90.7Very high80 Ų8056.8 Ų56.837%0.3734%0.335SS..EExtended strand (participates in β ladder)trans-85.4126.8-179.4-67-107.7000110.6N857H851-N857 PolarHBondContact O-ND2 2.8Å
852L95.8Very high90.7Very high0 Ų061 Ų610%036%0.355CS..EExtended strand (participates in β ladder)trans-124.5110.6176.5-65179.7000109F814 L815 W816 T817 V850 N857 A863 F866F814-L852 HydrophobicContact CD1-CD1 3.92Å; F814-L852 HydrophobicContact CD1-CG 4.49Å; L815-L852 PolarHBondContact O-N 2.91Å; W816-L852 CarbonylContact C-O 3.55Å; W816-L852 VanDerWaalsContact CA-O 3.3Å; W816-L852 WeakPolarHBondContact CA-O 3.5Å; W816-L852 HydrophobicContact CE3-CB 3.95Å; T817-L852 PolarHBondContact N-O 2.83Å; V850-L852 HydrophobicContact CG1-CG 4.5Å; L852-N857 VanDerWaalsContact CA-OD1 3.25Å; L852-N857 WeakPolarHBondContact CA-OD1 3.45Å; L852-A863 HydrophobicContact CD1-CB 4.18Å; L852-A863 HydrophobicContact CD2-CB 3.86Å; L852-F866 HydrophobicContact CD1-CB 3.52Å; L852-F866 HydrophobicContact CD1-CD1 3.8Å; L852-F866 HydrophobicContact CD1-CD2 3.86Å; L852-F866 HydrophobicContact CD1-CE1 4.44Å; L852-F866 HydrophobicContact CD1-CE2 4.49Å; L852-F866 HydrophobicContact CD1-CG 3.47Å; L852-F866 VanDerWaalsContact CD1-CG 3.47Å
853D94.5Very high90.7Very high57 Ų5761 Ų6131%0.30536%0.355SS..EExtended strand (participates in β ladder)trans-104.2128.1-178.2-58.3-62.6000109.8T817 G855 V856 N857T817-D853 WeakPolarHBondContact CB-OD1 3.06Å; T817-D853 PolarHBondContact OG1-OD1 3.18Å; D853-G855 PolarHBondContact O-N 2.88Å; D853-V856 HydrophobicContact CB-CB 4.1Å; D853-V856 HydrophobicContact CB-CG2 4.06Å; D853-V856 PolarHBondContact O-N 2.65Å; D853-N857 PolarHBondContact N-OD1 2.76Å; D853-N857 PolarHBondContact O-N 2.8Å; D853-N857 PolarHBondContact O-OD1 2.86Å
854E92.3Very high91.1Very high25 Ų2563 Ų6312%0.11737%0.369CS..THydrogen-bonded Turntrans-59.4121.3-173.3-178.7178.4-152.200112.2S801 W816 T817 K819 V856 Y876S801-E854 WeakPolarHBondContact CA-OE2 3.37Å; S801-E854 WeakPolarHBondContact CB-OE2 3.33Å; S801-E854 VanDerWaalsContact OG-CD 3.32Å; S801-E854 PolarHBondContact OG-OE1 3.26Å; S801-E854 PolarHBondContact OG-OE2 3Å; S801-E854 VanDerWaalsContact OG-OE2 3.14Å; W816-E854 HydrophobicContact CH2-CB 4.25Å; W816-E854 HydrophobicContact CH2-CG 4.36Å; W816-E854 HydrophobicContact CZ2-CB 3.73Å; W816-E854 HydrophobicContact CZ2-CG 3.86Å; T817-E854 WeakPolarHBondContact O-CB 3.19Å; T817-E854 PolarHBondContact O-N 3Å; K819-E854 HydrophobicContact CB-CB 4.07Å; K819-E854 HydrophobicContact CB-CG 4.15Å; K819-E854 WeakPolarHBondContact CB-OE2 3.49Å; K819-E854 PolarHBondContact N-OE2 2.89Å; E854-V856 VanDerWaalsContact C-N 3.33Å; E854-Y876 WeakPolarHBondContact OE1-CE2 3.34Å; E854-Y876 PolarHBondContact OE1-OH 3.07Å
855G86.7Confident91.2Very high68 Ų6866.5 Ų66.570%0.70139%0.385SS*.THydrogen-bonded Turntrans80.35.1-17800000115.4D853D853-G855 PolarHBondContact O-N 2.88Å
856V87Confident91.4Very high117 Ų11760.7 Ų60.771%0.70936%0.358SS*.THydrogen-bonded Turntrans-110.3-52179.9-173.50000112.4D853 E854D853-V856 HydrophobicContact CB-CB 4.1Å; D853-V856 HydrophobicContact CB-CG2 4.06Å; D853-V856 PolarHBondContact O-N 2.65Å; E854-V856 VanDerWaalsContact C-N 3.33Å
857N88.1Confident91.6Very high47 Ų4760.9 Ų60.925%0.25136%0.356SS..SBendtrans-134.821.4-174.468.3-3.4000113.8H851 L852 D853 D859 S860H851-N857 PolarHBondContact O-ND2 2.8Å; L852-N857 VanDerWaalsContact CA-OD1 3.25Å; L852-N857 WeakPolarHBondContact CA-OD1 3.45Å; D853-N857 PolarHBondContact N-OD1 2.76Å; D853-N857 PolarHBondContact O-N 2.8Å; D853-N857 PolarHBondContact O-OD1 2.86Å; N857-D859 PolarHBondContact O-N 3.43Å; N857-D859 VanDerWaalsContact O-N 3.07Å; N857-S860 VanDerWaalsContact O-CB 3.26Å; N857-S860 WeakPolarHBondContact O-CB 3.48Å; N857-S860 PolarHBondContact O-N 2.9Å; N857-S860 VanDerWaalsContact O-N 3.12Å; N857-S860 PolarHBondContact O-OG 3.35Å
858T84.5Confident91.9Very high22 Ų2261 Ų6114%0.13534%0.344CS..THydrogen-bonded Turntrans-57.8-17.5179.751.70000115.3W816 A863 W867W816-T858 HydrophobicContact CH2-CG2 3.71Å; W816-T858 HydrophobicContact CZ3-CG2 3.92Å; T858-A863 VanDerWaalsContact C-CB 3.41Å; T858-A863 WeakPolarHBondContact O-CB 3.44Å; T858-W867 PolarHBondContact O-NE1 2.85Å; T858-W867 VanDerWaalsContact O-NE1 3.1Å
859D86Confident92Very high145 Ų14562 Ų6278%0.77534%0.341SS*.THydrogen-bonded Turntrans-109.23.9-172.8-58.714.9000111.4N857N857-D859 PolarHBondContact O-N 3.43Å; N857-D859 VanDerWaalsContact O-N 3.07Å
860S89.5Confident91.9Very high36 Ų3660.6 Ų60.625%0.25233%0.333SS..SBendtrans-68.2159.4179.165.40000112.5N857 Q862 A863 A864N857-S860 VanDerWaalsContact O-CB 3.26Å; N857-S860 WeakPolarHBondContact O-CB 3.48Å; N857-S860 PolarHBondContact O-N 2.9Å; N857-S860 VanDerWaalsContact O-N 3.12Å; N857-S860 PolarHBondContact O-OG 3.35Å; S860-Q862 PolarHBondContact O-N 3.49Å; S860-Q862 VanDerWaalsContact O-N 3.16Å; S860-A863 WeakPolarHBondContact O-CB 3.46Å; S860-A863 PolarHBondContact O-N 3.18Å; S860-A863 WeakPolarHBondContact OG-CB 3.49Å; S860-A863 PolarHBondContact OG-N 3.36Å; S860-A863 VanDerWaalsContact OG-N 3.08Å; S860-A864 PolarHBondContact O-N 2.83Å
861Q88.5Confident91.7Very high182 Ų18263.1 Ų63.185%0.8536%0.364SS*.Hα-helixtrans-57.9-29.7173.7-176.3178.2-9.200112.5E865Q861-E865 PolarHBondContact O-N 3.12Å
862Q89.5Confident91.4Very high106 Ų10660.5 Ų60.550%0.49536%0.358SS..Hα-helixtrans-71-44.4174-75.7171.7-19.900111.7F814 V850 S860 A864 E865 F866F814-Q862 WeakPolarHBondContact CE1-O 3.47Å; V850-Q862 HydrophobicContact CG1-CB 3.82Å; V850-Q862 HydrophobicContact CG1-CG 4.09Å; S860-Q862 PolarHBondContact O-N 3.49Å; S860-Q862 VanDerWaalsContact O-N 3.16Å; Q862-A864 VanDerWaalsContact C-N 3.3Å; Q862-A864 PolarHBondContact O-N 3.02Å; Q862-E865 PolarHBondContact O-N 3.05Å; Q862-E865 VanDerWaalsContact O-N 3.12Å; Q862-F866 PolarHBondContact O-N 3.41Å; Q862-F866 VanDerWaalsContact O-N 3.08Å
863A91.9Very high91Very high0 Ų066.1 Ų66.10%039%0.385CS..Hα-helixtrans-62.6-36.1173.700000112.3L852 T858 S860 E865 F866 W867L852-A863 HydrophobicContact CD1-CB 4.18Å; L852-A863 HydrophobicContact CD2-CB 3.86Å; T858-A863 VanDerWaalsContact C-CB 3.41Å; T858-A863 WeakPolarHBondContact O-CB 3.44Å; S860-A863 WeakPolarHBondContact O-CB 3.46Å; S860-A863 PolarHBondContact O-N 3.18Å; S860-A863 WeakPolarHBondContact OG-CB 3.49Å; S860-A863 PolarHBondContact OG-N 3.36Å; S860-A863 VanDerWaalsContact OG-N 3.08Å; A863-E865 PolarHBondContact O-N 3.46Å; A863-F866 WeakPolarHBondContact O-CB 3.48Å; A863-F866 PolarHBondContact O-N 2.95Å; A863-F866 VanDerWaalsContact O-N 3.13Å; A863-W867 PolarHBondContact O-N 3.03Å
864A93.2Very high90.6Very high60 Ų6066.1 Ų66.150%0.49639%0.387SS..Hα-helixtrans-60.3-30.1173.800000113.2S860 Q862 K868S860-A864 PolarHBondContact O-N 2.83Å; Q862-A864 VanDerWaalsContact C-N 3.3Å; Q862-A864 PolarHBondContact O-N 3.02Å; A864-K868 VanDerWaalsContact O-CB 3.22Å; A864-K868 WeakPolarHBondContact O-CB 3.25Å; A864-K868 PolarHBondContact O-N 2.99Å
865E94.1Very high90.1Very high74 Ų7470.9 Ų70.935%0.34642%0.42SS..Hα-helixtrans-78.2-40171.3-176.1157.7-148.400112.6H812 F814 Q861 Q862 A863 K868 L869H812-E865 VanDerWaalsContact CE1-CD 3.44Å; H812-E865 IonicContact CE1-OE1 3.72Å; H812-E865 PolarHBondContact CE1-OE1 2.97Å; H812-E865 VanDerWaalsContact CE1-OE1 3.28Å; H812-E865 IonicContact CE1-OE2 2.76Å; H812-E865 PolarHBondContact CE1-OE2 2.78Å; H812-E865 VanDerWaalsContact CE1-OE2 3.31Å; H812-E865 IonicContact ND1-OE1 3.49Å; H812-E865 IonicContact ND1-OE2 3.16Å; F814-E865 HydrophobicContact CZ-CB 4.33Å; F814-E865 HydrophobicContact CZ-CG 4.23Å; Q861-E865 PolarHBondContact O-N 3.12Å; Q862-E865 PolarHBondContact O-N 3.05Å; Q862-E865 VanDerWaalsContact O-N 3.12Å; A863-E865 PolarHBondContact O-N 3.46Å; E865-K868 PolarHBondContact O-N 3.13Å; E865-L869 HydrophobicContact CG-CD1 4.18Å; E865-L869 HydrophobicContact CG-CG 4.46Å; E865-L869 WeakPolarHBondContact O-CG 3.36Å; E865-L869 PolarHBondContact O-N 3.39Å
866F95.9Very high90Very high0 Ų070.6 Ų70.60%040%0.398CS..Hα-helixtrans-56.1-51.9172.2170.1-96000112.1L799 L807 F814 W816 L852 Q862 A863 K868 L869 L870L799-F866 HydrophobicContact CD1-CE1 4.02Å; L799-F866 HydrophobicContact CD1-CZ 3.93Å; L799-F866 HydrophobicContact CD2-CZ 4.45Å; L807-F866 HydrophobicContact CB-CD2 4.08Å; L807-F866 HydrophobicContact CB-CE2 3.91Å; L807-F866 HydrophobicContact CD2-CD2 3.51Å; L807-F866 HydrophobicContact CD2-CE2 3.88Å; L807-F866 HydrophobicContact CD2-CG 4.29Å; L807-F866 HydrophobicContact CG-CD2 4.45Å; F814-F866 HydrophobicContact CB-CD2 3.74Å; F814-F866 HydrophobicContact CB-CE2 4.27Å; F814-F866 HydrophobicContact CD1-CB 3.93Å; F814-F866 HydrophobicContact CD1-CD2 4.27Å; F814-F866 HydrophobicContact CD2-CD2 4.3Å; F814-F866 HydrophobicContact CE1-CB 3.98Å; F814-F866 HydrophobicContact CG-CB 4.26Å; F814-F866 AromaticContact CG-CD2 3.88Å; F814-F866 HydrophobicContact CG-CD2 3.88Å; F814-F866 HydrophobicContact CZ-CB 4.34Å; W816-F866 HydrophobicContact CB-CE2 4.11Å; W816-F866 HydrophobicContact CB-CZ 3.79Å; W816-F866 HydrophobicContact CD2-CE1 4.19Å; W816-F866 HydrophobicContact CD2-CZ 4.04Å; W816-F866 HydrophobicContact CE3-CD1 4.36Å; W816-F866 AromaticContact CE3-CE1 3.53Å; W816-F866 HydrophobicContact CE3-CE1 3.53Å; W816-F866 AromaticContact CE3-CZ 3.76Å; W816-F866 HydrophobicContact CE3-CZ 3.76Å; W816-F866 HydrophobicContact CG-CZ 4.07Å; W816-F866 HydrophobicContact CZ3-CE1 4.04Å; L852-F866 HydrophobicContact CD1-CB 3.52Å; L852-F866 HydrophobicContact CD1-CD1 3.8Å; L852-F866 HydrophobicContact CD1-CD2 3.86Å; L852-F866 HydrophobicContact CD1-CE1 4.44Å; L852-F866 HydrophobicContact CD1-CE2 4.49Å; L852-F866 HydrophobicContact CD1-CG 3.47Å; L852-F866 VanDerWaalsContact CD1-CG 3.47Å; Q862-F866 PolarHBondContact O-N 3.41Å; Q862-F866 VanDerWaalsContact O-N 3.08Å; A863-F866 WeakPolarHBondContact O-CB 3.48Å; A863-F866 PolarHBondContact O-N 2.95Å; A863-F866 VanDerWaalsContact O-N 3.13Å; F866-K868 VanDerWaalsContact C-N 3.33Å; F866-K868 PolarHBondContact O-N 2.98Å; F866-L869 WeakPolarHBondContact O-CB 3.41Å; F866-L869 PolarHBondContact O-N 3.22Å; F866-L869 VanDerWaalsContact O-N 3.15Å; F866-L870 HydrophobicContact CD1-CD1 4.14Å; F866-L870 HydrophobicContact CD2-CD1 4.49Å; F866-L870 HydrophobicContact CE1-CD1 3.62Å; F866-L870 HydrophobicContact CE2-CD1 4.02Å; F866-L870 HydrophobicContact CZ-CD1 3.56Å; F866-L870 PolarHBondContact O-N 3.45Å; F866-L870 VanDerWaalsContact O-N 3.08Å
867W95.6Very high89.3Confident15 Ų1569.2 Ų69.26%0.05738%0.383CS..Hα-helixtrans-61-41.1176.6-64.2126.9000112.1L799 W816 T858 A863 L869 L870 G871 G872 Q873 Y876L799-W867 HydrophobicContact CD1-CH2 4.02Å; L799-W867 HydrophobicContact CD1-CZ3 3.75Å; W816-W867 HydrophobicContact CE3-CH2 4.44Å; W816-W867 HydrophobicContact CE3-CZ2 4.47Å; W816-W867 AromaticContact CH2-CH2 3.63Å; W816-W867 HydrophobicContact CH2-CH2 3.63Å; W816-W867 AromaticContact CH2-CZ2 3.6Å; W816-W867 HydrophobicContact CH2-CZ2 3.6Å; W816-W867 HydrophobicContact CZ2-CH2 4.32Å; W816-W867 AromaticContact CZ3-CH2 3.7Å; W816-W867 HydrophobicContact CZ3-CH2 3.7Å; W816-W867 AromaticContact CZ3-CZ2 3.47Å; W816-W867 HydrophobicContact CZ3-CZ2 3.47Å; W816-W867 VanDerWaalsContact CZ3-CZ2 3.47Å; T858-W867 PolarHBondContact O-NE1 2.85Å; T858-W867 VanDerWaalsContact O-NE1 3.1Å; A863-W867 PolarHBondContact O-N 3.03Å; W867-L869 VanDerWaalsContact C-N 3.31Å; W867-L869 PolarHBondContact O-N 3.13Å; W867-L870 HydrophobicContact CE3-CD1 4.44Å; W867-L870 CarbonylContact O-C 3.57Å; W867-L870 PolarHBondContact O-N 3.02Å; W867-G871 PolarHBondContact O-N 2.86Å; W867-G872 CarbonylContact O-C 3.58Å; W867-G872 WeakPolarHBondContact O-CA 3.21Å; W867-G872 PolarHBondContact O-N 2.93Å; W867-Q873 HydrophobicContact CB-CB 4.31Å; W867-Q873 HydrophobicContact CD2-CB 3.76Å; W867-Q873 HydrophobicContact CD2-CG 3.79Å; W867-Q873 HydrophobicContact CE3-CB 3.89Å; W867-Q873 HydrophobicContact CE3-CG 3.89Å; W867-Q873 HydrophobicContact CG-CB 3.94Å; W867-Q873 HydrophobicContact CG-CG 4.37Å; W867-Q873 HydrophobicContact CH2-CG 4.17Å; W867-Q873 HydrophobicContact CZ2-CG 4.04Å; W867-Q873 HydrophobicContact CZ3-CG 4.08Å; W867-Y876 AromaticContact CH2-CE1 3.94Å; W867-Y876 HydrophobicContact CH2-CE1 3.94Å
868K94.8Very high88.2Confident158 Ų15869.2 Ų69.269%0.68739%0.394SS*.Hα-helixtrans-62-36.8175.7176-170.4170.9-1620112.4A864 E865 F866 G871A864-K868 VanDerWaalsContact O-CB 3.22Å; A864-K868 WeakPolarHBondContact O-CB 3.25Å; A864-K868 PolarHBondContact O-N 2.99Å; E865-K868 PolarHBondContact O-N 3.13Å; F866-K868 VanDerWaalsContact C-N 3.33Å; F866-K868 PolarHBondContact O-N 2.98Å; K868-G871 PolarHBondContact O-N 2.83Å
869L94.8Very high87Confident51 Ų5170.7 Ų70.727%0.26741%0.405SS..Hα-helixtrans-69.4-35.5175.9-73.7167.7000112L776 L807 T809 F814 E865 F866 W867 G871L776-L869 HydrophobicContact CD1-CB 4.21Å; L776-L869 HydrophobicContact CD1-CD2 4.37Å; L776-L869 VanDerWaalsContact CD2-O 3.29Å; L776-L869 WeakPolarHBondContact CD2-O 3.19Å; L807-L869 HydrophobicContact CD2-CB 3.89Å; L807-L869 HydrophobicContact CD2-CD1 4.33Å; T809-L869 HydrophobicContact CG2-CD1 4.13Å; T809-L869 HydrophobicContact CG2-CD2 4.26Å; F814-L869 HydrophobicContact CD2-CD1 4.46Å; F814-L869 HydrophobicContact CE2-CD1 3.63Å; F814-L869 HydrophobicContact CZ-CD1 4.33Å; E865-L869 HydrophobicContact CG-CD1 4.18Å; E865-L869 HydrophobicContact CG-CG 4.46Å; E865-L869 WeakPolarHBondContact O-CG 3.36Å; E865-L869 PolarHBondContact O-N 3.39Å; F866-L869 WeakPolarHBondContact O-CB 3.41Å; F866-L869 PolarHBondContact O-N 3.22Å; F866-L869 VanDerWaalsContact O-N 3.15Å; W867-L869 VanDerWaalsContact C-N 3.31Å; W867-L869 PolarHBondContact O-N 3.13Å; L869-G871 PolarHBondContact O-N 3.45Å
870L94.5Very high85.6Confident4 Ų467 Ų672%0.02139%0.385CS..THydrogen-bonded Turntrans-80.211174.3-63.8177.5000114.3L778 P794 L799 L807 F866 W867 G872L778-L870 HydrophobicContact CD2-CD2 4.16Å; P794-L870 HydrophobicContact CB-CD2 4.49Å; L799-L870 HydrophobicContact CD1-CD1 3.99Å; L807-L870 HydrophobicContact CD1-CD2 3.72Å; L807-L870 HydrophobicContact CD2-CD1 4.44Å; L807-L870 HydrophobicContact CD2-CD2 3.92Å; L807-L870 HydrophobicContact CD2-CG 3.85Å; L807-L870 HydrophobicContact CG-CD2 4.44Å; F866-L870 HydrophobicContact CD1-CD1 4.14Å; F866-L870 HydrophobicContact CD2-CD1 4.49Å; F866-L870 HydrophobicContact CE1-CD1 3.62Å; F866-L870 HydrophobicContact CE2-CD1 4.02Å; F866-L870 HydrophobicContact CZ-CD1 3.56Å; F866-L870 PolarHBondContact O-N 3.45Å; F866-L870 VanDerWaalsContact O-N 3.08Å; W867-L870 HydrophobicContact CE3-CD1 4.44Å; W867-L870 CarbonylContact O-C 3.57Å; W867-L870 PolarHBondContact O-N 3.02Å; L870-G872 VanDerWaalsContact C-N 3.29Å; L870-G872 PolarHBondContact O-N 3.01Å
871G91.8Very high83.9Confident78 Ų7868 Ų6880%0.80439%0.393SS*.THydrogen-bonded Turntrans81.5-2.8179.300000115.6W867 K868 L869W867-G871 PolarHBondContact O-N 2.86Å; K868-G871 PolarHBondContact O-N 2.83Å; L869-G871 PolarHBondContact O-N 3.45Å
872G89.4Confident82.5Confident25 Ų2563.7 Ų63.726%0.25838%0.378SS..SBendtrans139.9172.4-178.700000111.8S796 W867 L870S796-G872 VanDerWaalsContact CB-O 3.25Å; S796-G872 WeakPolarHBondContact CB-O 3.2Å; S796-G872 PolarHBondContact OG-O 3.02Å; W867-G872 CarbonylContact O-C 3.58Å; W867-G872 WeakPolarHBondContact O-CA 3.21Å; W867-G872 PolarHBondContact O-N 2.93Å; L870-G872 VanDerWaalsContact C-N 3.29Å; L870-G872 PolarHBondContact O-N 3.01Å
873Q88.8Confident80.9Confident118 Ų11863.4 Ų63.455%0.55138%0.377SS*.  trans-94.3103169.8-171.8-179.818.400108.7W867W867-Q873 HydrophobicContact CB-CB 4.31Å; W867-Q873 HydrophobicContact CD2-CB 3.76Å; W867-Q873 HydrophobicContact CD2-CG 3.79Å; W867-Q873 HydrophobicContact CE3-CB 3.89Å; W867-Q873 HydrophobicContact CE3-CG 3.89Å; W867-Q873 HydrophobicContact CG-CB 3.94Å; W867-Q873 HydrophobicContact CG-CG 4.37Å; W867-Q873 HydrophobicContact CH2-CG 4.17Å; W867-Q873 HydrophobicContact CZ2-CG 4.04Å; W867-Q873 HydrophobicContact CZ3-CG 4.08Å
874T85.8Confident80.2Confident58 Ų5866.4 Ų66.436%0.35639%0.393SS..  trans-96.1163167.567.30000110.1S796 H797S796-T874 PolarHBondContact OG-N 3.03Å; S796-T874 PolarHBondContact OG-OG1 3.44Å; H797-T874 PolarHBondContact N-OG1 3.1Å
875P82.3Confident79.8Confident125 Ų12564 Ų6481%0.81237%0.372SS*.  trans-53.6145.7157.8-22.134.1000110.4
876Y83.2Confident79.3Confident61 Ų6162.9 Ų62.924%0.23937%0.367CS..  trans-139.2171.8177.158.2-103.2000108.4S796 L799 W816 E854 W867S796-Y876 WeakPolarHBondContact O-CB 3.47Å; L799-Y876 HydrophobicContact CB-CD2 4.37Å; L799-Y876 HydrophobicContact CB-CG 4.15Å; L799-Y876 WeakPolarHBondContact O-CB 3.2Å; W816-Y876 HydrophobicContact CZ2-CE1 4.42Å; W816-Y876 AromaticContact CZ2-CZ 3.94Å; W816-Y876 WeakPolarHBondContact CZ2-OH 3.42Å; E854-Y876 WeakPolarHBondContact OE1-CE2 3.34Å; E854-Y876 PolarHBondContact OE1-OH 3.07Å; W867-Y876 AromaticContact CH2-CE1 3.94Å; W867-Y876 HydrophobicContact CH2-CE1 3.94Å
877K73.4Confident78.8Confident88 Ų8867.6 Ų67.638%0.38339%0.391SS..BIsolated β-bridgetrans-71.3142.4-172.4-68-171.9-177.2-177.40112.2N800 S801 S977N800-K877 CarbonylContact C-O 3.59Å; N800-K877 WeakPolarHBondContact CA-O 3.25Å; N800-K877 HydrophobicContact CB-CB 4.05Å; N800-K877 WeakPolarHBondContact CB-O 3.32Å; S801-K877 PolarHBondContact N-O 3.07Å; K877-S977 PolarHBondContact NZ-O 3.38Å
878G64.4Low78.5Confident47 Ų4767.6 Ų67.649%0.48539%0.391SS..  trans-63.2178.3158.500000110.9D880G878-D880 PolarHBondContact O-N 2.88Å
879S60.3Low78.2Confident53 Ų5361 Ų6137%0.37136%0.363SS..PPolyproline II helixtrans-64.5128.6177.3-166.60000110.9G802 L820G802-S879 WeakPolarHBondContact CA-OG 3.32Å; L820-S879 VanDerWaalsContact CD1-CB 3.45Å
880D56.2Low77.8Confident68 Ų6863 Ų6336%0.36437%0.37SS..PPolyproline II helixtrans-65.7173.2154.5-58.7-50.2000108.9G878 D884G878-D880 PolarHBondContact O-N 2.88Å; D880-D884 HydrophobicContact CB-CB 4.2Å
881S53.8Low77.5Confident58 Ų5863.3 Ų63.341%0.40637%0.372SS..PPolyproline II helixtrans-77.3163.8-170.978.90000113.3E883 D884S881-E883 PolarHBondContact O-N 3.41Å; S881-E883 PolarHBondContact OG-N 3.47Å; S881-D884 WeakPolarHBondContact CA-OD2 3.24Å; S881-D884 VanDerWaalsContact CB-OD2 3.29Å; S881-D884 WeakPolarHBondContact CB-OD2 2.96Å; S881-D884 PolarHBondContact N-OD2 3.36Å; S881-D884 WeakPolarHBondContact O-CB 3.45Å; S881-D884 PolarHBondContact O-N 3.5Å; S881-D884 PolarHBondContact OG-N 2.93Å; S881-D884 PolarHBondContact OG-OD2 2.88Å
882V58Low77.5Confident91 Ų9159.6 Ų59.655%0.55233%0.334SS*.Hα-helixtrans-63.7-23.7173.5-176.70000111.8W784 D884W784-V882 HydrophobicContact CD2-CG1 4.46Å; W784-V882 HydrophobicContact CE3-CG1 3.91Å; W784-V882 HydrophobicContact CH2-CG1 4.06Å; W784-V882 HydrophobicContact CZ3-CG1 3.69Å; V882-D884 VanDerWaalsContact C-N 3.3Å
883E56.6Low77.5Confident99 Ų9959.4 Ų59.446%0.46333%0.329SS..Hα-helixtrans-72.2-25.4174.7-55.5-159.2126.100112.4H126 S881 D885 E886 L887H126-E883 IonicContact CE1-OE1 3.95Å; H126-E883 PolarHBondContact CE1-OE1 3.17Å; S881-E883 PolarHBondContact O-N 3.41Å; S881-E883 PolarHBondContact OG-N 3.47Å; E883-D885 VanDerWaalsContact C-N 3.29Å; E883-D885 PolarHBondContact O-N 2.98Å; E883-E886 PolarHBondContact O-N 2.83Å; E883-L887 WeakPolarHBondContact O-CG 3.47Å; E883-L887 PolarHBondContact O-N 2.91Å
884D76.9Confident77.4Confident63 Ų6356.6 Ų56.634%0.33732%0.316SS..Hα-helixtrans-69.2-24.3179.7-67.3-68.6000112.7D880 S881 V882 L887 Y888D880-D884 HydrophobicContact CB-CB 4.2Å; S881-D884 WeakPolarHBondContact CA-OD2 3.24Å; S881-D884 VanDerWaalsContact CB-OD2 3.29Å; S881-D884 WeakPolarHBondContact CB-OD2 2.96Å; S881-D884 PolarHBondContact N-OD2 3.36Å; S881-D884 WeakPolarHBondContact O-CB 3.45Å; S881-D884 PolarHBondContact O-N 3.5Å; S881-D884 PolarHBondContact OG-N 2.93Å; S881-D884 PolarHBondContact OG-OD2 2.88Å; V882-D884 VanDerWaalsContact C-N 3.3Å; D884-L887 PolarHBondContact O-N 3.46Å; D884-Y888 WeakPolarHBondContact O-CB 3.43Å; D884-Y888 PolarHBondContact O-N 2.9Å
885D86.4Confident77.5Confident10 Ų1053.8 Ų53.85%0.05330%0.299CS..Hα-helixtrans-64.3-50.5174.3-77-16.2000112K782 W784 E883 L887 Y888 E889K782-D885 WeakPolarHBondContact CE-OD1 3.35Å; K782-D885 IonicContact NZ-OD1 2.69Å; K782-D885 PolarHBondContact NZ-OD1 2.9Å; W784-D885 HydrophobicContact CB-CB 3.71Å; E883-D885 VanDerWaalsContact C-N 3.29Å; E883-D885 PolarHBondContact O-N 2.98Å; D885-L887 PolarHBondContact O-N 2.95Å; D885-Y888 PolarHBondContact O-N 2.85Å; D885-E889 WeakPolarHBondContact O-CG 3.4Å; D885-E889 PolarHBondContact O-N 3.03Å
886E82.2Confident78Confident51 Ų5147.9 Ų47.924%0.23826%0.26CS..Hα-helixtrans-67.1-26178.6-92.5-136.3-154.100112.2W784 R785 E883 K890W784-E886 HydrophobicContact CB-CG 4.19Å; W784-E886 HydrophobicContact CG-CG 4.27Å; R785-E886 IonicContact CZ-OE1 3.26Å; R785-E886 IonicContact NE-OE1 2.67Å; R785-E886 PolarHBondContact NE-OE1 2.95Å; R785-E886 IonicContact NH2-OE1 3.02Å; R785-E886 PolarHBondContact NH2-OE1 2.71Å; E883-E886 PolarHBondContact O-N 2.83Å; E886-K890 WeakPolarHBondContact O-CD 3.49Å; E886-K890 WeakPolarHBondContact O-CG 3.22Å; E886-K890 PolarHBondContact O-NZ 2.85Å; E886-K890 IonicContact OE2-NZ 3.6Å; E886-K890 PolarHBondContact OE2-NZ 2.87Å
887L84.7Confident78.3Confident99 Ų9945.8 Ų45.852%0.51825%0.254SS..Hα-helixtrans-77.7-41.7172.3-67.5173.6000111.6E883 D884 D885 K890 A891E883-L887 WeakPolarHBondContact O-CG 3.47Å; E883-L887 PolarHBondContact O-N 2.91Å; D884-L887 PolarHBondContact O-N 3.46Å; D885-L887 PolarHBondContact O-N 2.95Å; L887-K890 PolarHBondContact O-N 3.3Å; L887-A891 VanDerWaalsContact O-CB 3.24Å; L887-A891 WeakPolarHBondContact O-CB 3.41Å; L887-A891 PolarHBondContact O-N 3.11Å
888Y89.5Confident79.3Confident14 Ų1441.6 Ų41.66%0.05524%0.236CC..Hα-helixtrans-59.5-49.7177.1173.6-103.5000111.7K782 Q788 D884 D885 K890 A891 I892 I971 P976K782-Y888 HydrophobicContact CB-CD1 4.05Å; K782-Y888 HydrophobicContact CB-CE1 3.63Å; K782-Y888 HydrophobicContact CD-CD1 3.75Å; K782-Y888 HydrophobicContact CD-CD2 4.23Å; K782-Y888 HydrophobicContact CD-CE1 3.97Å; K782-Y888 HydrophobicContact CD-CE2 4.46Å; K782-Y888 HydrophobicContact CD-CG 3.89Å; K782-Y888 HydrophobicContact CG-CD1 3.72Å; K782-Y888 HydrophobicContact CG-CE1 3.85Å; K782-Y888 HydrophobicContact CG-CG 4.36Å; Q788-Y888 HydrophobicContact CB-CE1 3.82Å; D884-Y888 WeakPolarHBondContact O-CB 3.43Å; D884-Y888 PolarHBondContact O-N 2.9Å; D885-Y888 PolarHBondContact O-N 2.85Å; Y888-K890 VanDerWaalsContact C-N 3.28Å; Y888-K890 PolarHBondContact O-N 3.48Å; Y888-A891 PolarHBondContact O-N 3.39Å; Y888-I892 HydrophobicContact CE1-CG2 4.33Å; Y888-I892 HydrophobicContact CE2-CB 4.37Å; Y888-I892 HydrophobicContact CE2-CG1 4.48Å; Y888-I892 WeakPolarHBondContact O-CB 3.31Å; Y888-I892 VanDerWaalsContact O-CG2 3.25Å; Y888-I892 WeakPolarHBondContact O-CG2 3.36Å; Y888-I892 PolarHBondContact O-N 3.38Å; Y888-I971 HydrophobicContact CD2-CD1 3.47Å; Y888-I971 VanDerWaalsContact CD2-CD1 3.47Å; Y888-I971 HydrophobicContact CE2-CD1 3.73Å; Y888-P976 HydrophobicContact CE2-CB 3.87Å
889E89.9Confident80.7Confident20 Ų2039.9 Ų39.99%0.09322%0.215CC..Hα-helixtrans-51.8-46.6176.9-76.5179.4177.700112.5W784 R785 Q786 Q788 D885 S893W784-E889 PolarHBondContact N-OE1 2.81Å; R785-E889 PolarHBondContact N-OE1 2.78Å; Q786-E889 PolarHBondContact N-OE1 2.87Å; Q788-E889 HydrophobicContact CG-CG 4.35Å; D885-E889 WeakPolarHBondContact O-CG 3.4Å; D885-E889 PolarHBondContact O-N 3.03Å; E889-S893 WeakPolarHBondContact O-CB 3.4Å; E889-S893 PolarHBondContact O-N 2.88Å; E889-S893 PolarHBondContact O-OG 2.93Å
890K85.5Confident82.3Confident94 Ų9440.5 Ų40.541%0.40921%0.209SC..Hα-helixtrans-72-43.9-179.2-61.9177.5-16984.30110.9E886 L887 Y888 S893 E894E886-K890 WeakPolarHBondContact O-CD 3.49Å; E886-K890 WeakPolarHBondContact O-CG 3.22Å; E886-K890 PolarHBondContact O-NZ 2.85Å; E886-K890 IonicContact OE2-NZ 3.6Å; E886-K890 PolarHBondContact OE2-NZ 2.87Å; L887-K890 PolarHBondContact O-N 3.3Å; Y888-K890 VanDerWaalsContact C-N 3.28Å; Y888-K890 PolarHBondContact O-N 3.48Å; K890-S893 PolarHBondContact O-OG 2.69Å; K890-E894 WeakPolarHBondContact O-CB 3.27Å; K890-E894 VanDerWaalsContact O-CG 3.32Å; K890-E894 WeakPolarHBondContact O-CG 3.33Å; K890-E894 PolarHBondContact O-N 3.28Å; K890-E894 VanDerWaalsContact O-N 3.12Å
891A88.7Confident84Confident9 Ų938.5 Ų38.57%0.07420%0.198CC..Hα-helixtrans-66.7-40.3-179.500000113.4L887 Y888 R970 I971L887-A891 VanDerWaalsContact O-CB 3.24Å; L887-A891 WeakPolarHBondContact O-CB 3.41Å; L887-A891 PolarHBondContact O-N 3.11Å; Y888-A891 PolarHBondContact O-N 3.39Å; A891-R970 HydrophobicContact CB-CB 3.98Å; A891-I971 HydrophobicContact CB-CB 4.01Å; A891-I971 HydrophobicContact CB-CG2 3.88Å; A891-I971 WeakPolarHBondContact O-CG2 3.42Å
892I91.7Very high85.6Confident0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-78.7-33.4-177.8-158.171.4000111.5Q788 R790 Y888 S895 N896 I971 P973 P976Q788-I892 HydrophobicContact CB-CG2 3.81Å; Q788-I892 HydrophobicContact CG-CG2 3.53Å; R790-I892 HydrophobicContact CG-CG1 4.13Å; Y888-I892 HydrophobicContact CE1-CG2 4.33Å; Y888-I892 HydrophobicContact CE2-CB 4.37Å; Y888-I892 HydrophobicContact CE2-CG1 4.48Å; Y888-I892 WeakPolarHBondContact O-CB 3.31Å; Y888-I892 VanDerWaalsContact O-CG2 3.25Å; Y888-I892 WeakPolarHBondContact O-CG2 3.36Å; Y888-I892 PolarHBondContact O-N 3.38Å; I892-S895 WeakPolarHBondContact O-CB 3.4Å; I892-S895 PolarHBondContact O-N 3.13Å; I892-S895 PolarHBondContact O-OG 2.81Å; I892-N896 PolarHBondContact O-OD1 3.2Å; I892-I971 HydrophobicContact CB-CG2 4.28Å; I892-I971 HydrophobicContact CD1-CG2 3.75Å; I892-P973 HydrophobicContact CD1-CB 3.83Å; I892-P976 HydrophobicContact CD1-CG 4.48Å
893S89Confident86.9Confident21 Ų2139.9 Ų39.915%0.14721%0.211CC..Hα-helixtrans-70.8-31.4173.257.70000113E889 K890 S895 N896 A914 S915E889-S893 WeakPolarHBondContact O-CB 3.4Å; E889-S893 PolarHBondContact O-N 2.88Å; E889-S893 PolarHBondContact O-OG 2.93Å; K890-S893 PolarHBondContact O-OG 2.69Å; S893-S895 PolarHBondContact O-N 3.12Å; S893-S895 VanDerWaalsContact O-N 3.16Å; S893-N896 WeakPolarHBondContact O-CB 3.4Å; S893-N896 PolarHBondContact O-N 2.98Å; S893-A914 CarbonylContact O-C 3.54Å; S893-A914 VanDerWaalsContact O-C 3.24Å; S893-S915 PolarHBondContact O-N 3Å
894E86.4Confident88.4Confident59 Ų5939.6 Ų39.628%0.27621%0.212SC..THydrogen-bonded Turntrans-59.6-18.7168.3-82.5176.2179.500113.8K890 A914 R970K890-E894 WeakPolarHBondContact O-CB 3.27Å; K890-E894 VanDerWaalsContact O-CG 3.32Å; K890-E894 WeakPolarHBondContact O-CG 3.33Å; K890-E894 PolarHBondContact O-N 3.28Å; K890-E894 VanDerWaalsContact O-N 3.12Å; E894-A914 WeakPolarHBondContact O-CB 3.36Å; E894-R970 IonicContact OE1-CZ 2.85Å; E894-R970 IonicContact OE1-NE 3.29Å; E894-R970 PolarHBondContact OE1-NE 3.46Å; E894-R970 IonicContact OE1-NH2 2.85Å; E894-R970 PolarHBondContact OE1-NH2 3.32Å; E894-R970 WeakPolarHBondContact OE2-CD 3.36Å; E894-R970 WeakPolarHBondContact OE2-CG 3.37Å; E894-R970 IonicContact OE2-CZ 3.38Å; E894-R970 IonicContact OE2-NE 3.83Å; E894-R970 PolarHBondContact OE2-NE 3.13Å; E894-R970 IonicContact OE2-NH2 3.75Å
895S87.9Confident89Confident0 Ų042.1 Ų42.10%022%0.217CC..THydrogen-bonded Turntrans-90.6-11.3179.178.80000115I892 S893 C897 P973I892-S895 WeakPolarHBondContact O-CB 3.4Å; I892-S895 PolarHBondContact O-N 3.13Å; I892-S895 PolarHBondContact O-OG 2.81Å; S893-S895 PolarHBondContact O-N 3.12Å; S893-S895 VanDerWaalsContact O-N 3.16Å; S895-C897 PolarHBondContact O-N 2.7Å; S895-P973 WeakPolarHBondContact OG-CB 3.18Å
896N92.5Very high89.1Confident1 Ų142.8 Ų42.81%0.00522%0.221CC..  trans-67.8119.5-176.8-67-10.4000111.3R790 I892 S893 A914 S915 F932R790-N896 PolarHBondContact NH1-OD1 3.02Å; R790-N896 PolarHBondContact NH2-OD1 2.85Å; I892-N896 PolarHBondContact O-OD1 3.2Å; S893-N896 WeakPolarHBondContact O-CB 3.4Å; S893-N896 PolarHBondContact O-N 2.98Å; N896-A914 WeakPolarHBondContact O-CA 3.47Å; N896-A914 PolarHBondContact O-N 2.85Å; N896-S915 WeakPolarHBondContact CB-O 3.44Å; N896-S915 PolarHBondContact ND2-O 3.46Å; N896-F932 HydrophobicContact CB-CD1 4.39Å
897C91Very high89.3Confident16 Ų1641.6 Ų41.611%0.10822%0.218CC..EExtended strand (participates in β ladder)trans-112128.9176.5-67.40000110S895 Y899 W913 D931S895-C897 PolarHBondContact O-N 2.7Å; C897-Y899 HydrophobicContact CB-CE2 4.28Å; C897-W913 HydrophobicContact CB-CE3 4.37Å; C897-W913 HydrophobicContact CB-CH2 3.73Å; C897-W913 HydrophobicContact CB-CZ2 4.07Å; C897-W913 HydrophobicContact CB-CZ3 3.89Å; C897-W913 VanDerWaalsContact SG-CZ2 3.59Å; C897-D931 HydrophobicContact CB-CB 4.07Å; C897-D931 PolarHBondContact N-O 2.83Å; C897-D931 PolarHBondContact O-N 3.44Å
898I93.8Very high89.4Confident0 Ų038.4 Ų38.40%020%0.203CC..EExtended strand (participates in β ladder)trans-131.4130.5-177.3-60.9179.1000109.9P908 H909 A912 W913 P917 L921 L929 F930I898-P908 CarbonylContact O-C 3.5Å; I898-H909 HydrophobicContact CB-CB 4.39Å; I898-H909 HydrophobicContact CG2-CB 3.98Å; I898-H909 PolarHBondContact O-N 3.39Å; I898-A912 HydrophobicContact CD1-CB 3.96Å; I898-A912 WeakPolarHBondContact CD1-O 3.42Å; I898-W913 VanDerWaalsContact O-CE3 3.27Å; I898-W913 WeakPolarHBondContact O-CZ3 3.42Å; I898-P917 HydrophobicContact CD1-CB 3.79Å; I898-P917 HydrophobicContact CD1-CG 4.11Å; I898-L921 HydrophobicContact CD1-CD2 4.15Å; I898-L921 HydrophobicContact CG2-CD2 4.34Å; I898-L929 CarbonylContact C-O 3.59Å; I898-L929 WeakPolarHBondContact CA-O 3.5Å; I898-F930 HydrophobicContact CD1-CD1 3.46Å; I898-F930 VanDerWaalsContact CD1-CD1 3.46Å; I898-F930 HydrophobicContact CD1-CE1 3.61Å; I898-F930 HydrophobicContact CG1-CD1 3.73Å; I898-F930 HydrophobicContact CG1-CE1 4.26Å; I898-F930 HydrophobicContact CG1-CG 4.42Å; I898-F930 HydrophobicContact CG2-CD1 4.26Å; I898-F930 HydrophobicContact CG2-CE1 4.28Å
899Y93.4Very high89.3Confident12 Ų1238.4 Ų38.45%0.04720%0.203CC..EExtended strand (participates in β ladder)trans-118.8149.1178.6-52.1-105.2000111.2C897 L906 S907 P908 W913 L928 L929C897-Y899 HydrophobicContact CB-CE2 4.28Å; Y899-L906 HydrophobicContact CD1-CB 4.17Å; Y899-L906 HydrophobicContact CG-CB 4.37Å; Y899-S907 CarbonylContact C-O 3.56Å; Y899-S907 WeakPolarHBondContact CA-O 3.1Å; Y899-P908 HydrophobicContact CD1-CG 4.49Å; Y899-W913 HydrophobicContact CD1-CZ3 4.26Å; Y899-W913 HydrophobicContact CD2-CZ3 4.33Å; Y899-W913 AromaticContact CE1-CH2 3.98Å; Y899-W913 HydrophobicContact CE1-CH2 3.98Å; Y899-W913 AromaticContact CE1-CZ3 3.98Å; Y899-W913 HydrophobicContact CE1-CZ3 3.98Å; Y899-W913 HydrophobicContact CE2-CH2 4.17Å; Y899-W913 HydrophobicContact CE2-CZ3 4.04Å; Y899-W913 HydrophobicContact CG-CZ3 4.43Å; Y899-W913 AromaticContact CZ-CH2 3.68Å; Y899-W913 AromaticContact CZ-CZ3 3.86Å; Y899-L928 CarbonylContact O-C 3.48Å; Y899-L928 VanDerWaalsContact O-CA 3.29Å; Y899-L928 WeakPolarHBondContact O-CA 3.3Å; Y899-L929 PolarHBondContact N-O 3.33Å; Y899-L929 PolarHBondContact O-N 2.89Å
900R94Very high88.9Confident65 Ų6543.8 Ų43.825%0.24523%0.229CC..EExtended strand (participates in β ladder)trans-107.4141.5167.5173.3-173.9-76.8138.90.8109.3Q902 S907 H909 Q926 L928R900-Q902 HydrophobicContact CG-CG 4.07Å; R900-Q902 PolarHBondContact O-N 2.76Å; R900-S907 PolarHBondContact N-O 3.1Å; R900-S907 PolarHBondContact O-N 3.3Å; R900-S907 PolarHBondContact O-OG 3.12Å; R900-H909 PolarHBondContact NH2-CD2 2.92Å; R900-H909 PolarHBondContact NH2-NE2 3.26Å; R900-Q926 VanDerWaalsContact CZ-OE1 3.32Å; R900-L928 HydrophobicContact CB-CD2 3.9Å; R900-L928 HydrophobicContact CG-CD2 4.24Å
901L93Very high88.6Confident26 Ų2645.6 Ų45.614%0.13624%0.239CC..EExtended strand (participates in β ladder)trans-68.9120.7165.5-175.177.4000110L906 T927 E948 L951 A952 L955L901-L906 HydrophobicContact CD1-CD2 4.44Å; L901-T927 PolarHBondContact N-O 2.85Å; L901-E948 HydrophobicContact CD2-CB 3.93Å; L901-E948 HydrophobicContact CD2-CG 4.46Å; L901-L951 HydrophobicContact CD1-CD2 4.23Å; L901-L951 HydrophobicContact CD1-CG 4.27Å; L901-A952 HydrophobicContact CD1-CB 3.99Å; L901-A952 HydrophobicContact CD2-CB 4.14Å; L901-A952 HydrophobicContact CG-CB 4.47Å; L901-L955 HydrophobicContact CD1-CD1 3.75Å
902Q86.8Confident88.4Confident110 Ų11045.5 Ų45.551%0.51424%0.238SC..EExtended strand (participates in β ladder)trans-130.3112.5171.9-66.7-16457.200109.7R900 D904 R905 S907R900-Q902 HydrophobicContact CG-CG 4.07Å; R900-Q902 PolarHBondContact O-N 2.76Å; Q902-D904 PolarHBondContact O-N 2.92Å; Q902-R905 PolarHBondContact N-O 2.82Å; Q902-R905 PolarHBondContact O-N 3.36Å; Q902-R905 VanDerWaalsContact O-N 3.12Å; Q902-S907 WeakPolarHBondContact CG-OG 3.43Å; Q902-S907 PolarHBondContact NE2-OG 2.92Å
903G85.9Confident88.1Confident68 Ų6845.8 Ų45.870%0.70124%0.239SC*.THydrogen-bonded Turntrans62.4-118.5-17900000112.3L951G903-L951 VanDerWaalsContact O-CD2 3.3Å; G903-L951 WeakPolarHBondContact O-CD2 3.37Å
904D86.9Confident87.9Confident94 Ų9445.6 Ų45.650%0.50324%0.239SC..THydrogen-bonded Turntrans-90.52.9178.869.9-35.4000114.1Q902Q902-D904 PolarHBondContact O-N 2.92Å
905R89.6Confident87.9Confident115 Ų11544.4 Ų44.443%0.43424%0.237SC..EExtended strand (participates in β ladder)trans-136.2162.8-164.5-72.9158.2-152.2-98.7-19.3114.3Q902Q902-R905 PolarHBondContact N-O 2.82Å; Q902-R905 PolarHBondContact O-N 3.36Å; Q902-R905 VanDerWaalsContact O-N 3.12Å
906L90Very high88.1Confident25 Ų2546 Ų4613%0.13125%0.246CC..EExtended strand (participates in β ladder)trans-94.7125.4164-68.1173.3000109Y899 L901 L929 L955 V959Y899-L906 HydrophobicContact CD1-CB 4.17Å; Y899-L906 HydrophobicContact CG-CB 4.37Å; L901-L906 HydrophobicContact CD1-CD2 4.44Å; L906-L929 HydrophobicContact CD1-CD2 3.62Å; L906-L929 HydrophobicContact CD2-CB 4.45Å; L906-L955 HydrophobicContact CD1-CB 3.69Å; L906-L955 HydrophobicContact CG-CB 3.84Å; L906-L955 HydrophobicContact CG-CD1 4.11Å; L906-V959 HydrophobicContact CD1-CG2 3.93Å
907S85.5Confident88Confident25 Ų2546 Ų4618%0.17525%0.246CC..EExtended strand (participates in β ladder)trans-113.5139176.161.80000110.3Y899 R900 Q902Y899-S907 CarbonylContact C-O 3.56Å; Y899-S907 WeakPolarHBondContact CA-O 3.1Å; R900-S907 PolarHBondContact N-O 3.1Å; R900-S907 PolarHBondContact O-N 3.3Å; R900-S907 PolarHBondContact O-OG 3.12Å; Q902-S907 WeakPolarHBondContact CG-OG 3.43Å; Q902-S907 PolarHBondContact NE2-OG 2.92Å
908P86.6Confident87.9Confident33 Ų3348.7 Ų48.721%0.21426%0.257CS..EExtended strand (participates in β ladder)trans-50.4143170.5-28.636.2000113.2L392 I898 Y899 W913L392-P908 HydrophobicContact CD1-CG 3.75Å; I898-P908 CarbonylContact O-C 3.5Å; Y899-P908 HydrophobicContact CD1-CG 4.49Å; P908-W913 HydrophobicContact CB-CD2 4.35Å; P908-W913 HydrophobicContact CB-CE3 3.71Å; P908-W913 HydrophobicContact CB-CH2 4.43Å; P908-W913 HydrophobicContact CB-CZ3 3.76Å; P908-W913 HydrophobicContact CG-CE3 4.49Å; P908-W913 HydrophobicContact CG-CH2 4.37Å; P908-W913 HydrophobicContact CG-CZ3 4.09Å
909H87.5Confident87.6Confident13 Ų1353.1 Ų53.16%0.0628%0.278CS..  trans-96.987.5175.3-168.6-63.8000110.2I898 R900 Q911 A912 W913 L921I898-H909 HydrophobicContact CB-CB 4.39Å; I898-H909 HydrophobicContact CG2-CB 3.98Å; I898-H909 PolarHBondContact O-N 3.39Å; R900-H909 PolarHBondContact NH2-CD2 2.92Å; R900-H909 PolarHBondContact NH2-NE2 3.26Å; H909-Q911 VanDerWaalsContact C-N 3.29Å; H909-Q911 PolarHBondContact CE1-OE1 2.97Å; H909-Q911 PolarHBondContact ND1-OE1 3.39Å; H909-Q911 PolarHBondContact O-N 3.07Å; H909-A912 CarbonylContact O-C 3.6Å; H909-A912 PolarHBondContact O-N 3.17Å; H909-W913 PolarHBondContact O-N 3.49Å; H909-L921 VanDerWaalsContact CE1-CD1 3.46Å; H909-L921 WeakPolarHBondContact CE1-CD1 3.25Å; H909-L921 WeakPolarHBondContact NE2-CD1 3.14Å
910E82.1Confident87.4Confident134 Ų13457.2 Ų57.263%0.62631%0.308SS*.G310 helixtrans-39-46.6-171.6-61.6168163.300115.7A912E910-A912 VanDerWaalsContact C-N 3.29Å; E910-A912 PolarHBondContact O-N 2.84Å
911Q78.2Confident87.2Confident131 Ų13155.1 Ų55.161%0.61230%0.302SS*.G310 helixtrans-77.2-12.9-175.6-57.373.925.700113.9H909H909-Q911 VanDerWaalsContact C-N 3.29Å; H909-Q911 PolarHBondContact CE1-OE1 2.97Å; H909-Q911 PolarHBondContact ND1-OE1 3.39Å; H909-Q911 PolarHBondContact O-N 3.07Å
912A84.1Confident87.1Confident7 Ų754.8 Ų54.86%0.05830%0.3CS..G310 helixtrans-123.712.2-174.600000112.4I898 H909 E910 S915 L921I898-A912 HydrophobicContact CD1-CB 3.96Å; I898-A912 WeakPolarHBondContact CD1-O 3.42Å; H909-A912 CarbonylContact O-C 3.6Å; H909-A912 PolarHBondContact O-N 3.17Å; E910-A912 VanDerWaalsContact C-N 3.29Å; E910-A912 PolarHBondContact O-N 2.84Å; A912-S915 WeakPolarHBondContact CA-OG 3.43Å; A912-L921 HydrophobicContact CB-CD1 4.33Å; A912-L921 HydrophobicContact CB-CD2 3.87Å
913W85.3Confident87.2Confident7 Ų752.5 Ų52.53%0.02729%0.291CS..THydrogen-bonded Turntrans-89.6129.5178.2-167.1-86.1000110.6C897 I898 Y899 P908 H909 S915C897-W913 HydrophobicContact CB-CE3 4.37Å; C897-W913 HydrophobicContact CB-CH2 3.73Å; C897-W913 HydrophobicContact CB-CZ2 4.07Å; C897-W913 HydrophobicContact CB-CZ3 3.89Å; C897-W913 VanDerWaalsContact SG-CZ2 3.59Å; I898-W913 VanDerWaalsContact O-CE3 3.27Å; I898-W913 WeakPolarHBondContact O-CZ3 3.42Å; Y899-W913 HydrophobicContact CD1-CZ3 4.26Å; Y899-W913 HydrophobicContact CD2-CZ3 4.33Å; Y899-W913 AromaticContact CE1-CH2 3.98Å; Y899-W913 HydrophobicContact CE1-CH2 3.98Å; Y899-W913 AromaticContact CE1-CZ3 3.98Å; Y899-W913 HydrophobicContact CE1-CZ3 3.98Å; Y899-W913 HydrophobicContact CE2-CH2 4.17Å; Y899-W913 HydrophobicContact CE2-CZ3 4.04Å; Y899-W913 HydrophobicContact CG-CZ3 4.43Å; Y899-W913 AromaticContact CZ-CH2 3.68Å; Y899-W913 AromaticContact CZ-CZ3 3.86Å; P908-W913 HydrophobicContact CB-CD2 4.35Å; P908-W913 HydrophobicContact CB-CE3 3.71Å; P908-W913 HydrophobicContact CB-CH2 4.43Å; P908-W913 HydrophobicContact CB-CZ3 3.76Å; P908-W913 HydrophobicContact CG-CE3 4.49Å; P908-W913 HydrophobicContact CG-CH2 4.37Å; P908-W913 HydrophobicContact CG-CZ3 4.09Å; H909-W913 PolarHBondContact O-N 3.49Å; W913-S915 VanDerWaalsContact C-N 3.3Å; W913-S915 PolarHBondContact O-N 3.1Å
914A85.2Confident87.5Confident17 Ų1751 Ų5114%0.1427%0.269CS..THydrogen-bonded Turntrans52.446.8-174.800000112.8P394 S893 E894 N896P394-A914 HydrophobicContact CB-CB 3.86Å; P394-A914 HydrophobicContact CG-CB 4.44Å; S893-A914 CarbonylContact O-C 3.54Å; S893-A914 VanDerWaalsContact O-C 3.24Å; E894-A914 WeakPolarHBondContact O-CB 3.36Å; N896-A914 WeakPolarHBondContact O-CA 3.47Å; N896-A914 PolarHBondContact O-N 2.85Å
915S87.3Confident87.7Confident34 Ų3450.8 Ų50.824%0.23827%0.271CS..SBendtrans-150.4166.7175.661.70000111S893 N896 A912 W913S893-S915 PolarHBondContact O-N 3Å; N896-S915 WeakPolarHBondContact CB-O 3.44Å; N896-S915 PolarHBondContact ND2-O 3.46Å; A912-S915 WeakPolarHBondContact CA-OG 3.43Å; W913-S915 VanDerWaalsContact C-N 3.3Å; W913-S915 PolarHBondContact O-N 3.1Å
916V91Very high87.8Confident32 Ų3247.3 Ų47.319%0.19426%0.26CS..  trans-75.5124.7169.9-174.30000108.6K1011 A1013V916-K1011 WeakPolarHBondContact CG1-O 3.49Å; V916-A1013 HydrophobicContact CG1-CB 4.3Å
917P90.8Very high88.1Confident2 Ų246.4 Ų46.41%0.01326%0.256CS..  trans-68.6153.9179.328-35.1000112.5I898 L921 F930 F932 K1011 F1012 A1013I898-P917 HydrophobicContact CD1-CB 3.79Å; I898-P917 HydrophobicContact CD1-CG 4.11Å; P917-L921 HydrophobicContact CB-CD2 3.99Å; P917-F930 HydrophobicContact CB-CE1 4.16Å; P917-F930 HydrophobicContact CG-CE1 4.33Å; P917-F932 HydrophobicContact CG-CE1 4.29Å; P917-F932 HydrophobicContact CG-CZ 4.26Å; P917-K1011 VanDerWaalsContact CD-O 3.3Å; P917-K1011 WeakPolarHBondContact CD-O 3.47Å; P917-K1011 WeakPolarHBondContact CG-O 3.26Å; P917-F1012 HydrophobicContact CB-CD1 3.79Å; P917-F1012 HydrophobicContact CB-CE1 3.73Å; P917-F1012 HydrophobicContact CG-CD1 3.9Å; P917-F1012 HydrophobicContact CG-CE1 3.94Å; P917-F1012 HydrophobicContact CG-CG 4.36Å; P917-F1012 HydrophobicContact CG-CZ 4.41Å; P917-F1012 VanDerWaalsContact O-CA 3.28Å; P917-F1012 WeakPolarHBondContact O-CA 3.49Å; P917-A1013 PolarHBondContact O-N 3.3Å; P917-A1013 VanDerWaalsContact O-N 3.13Å
918H89.3Confident88.6Confident73 Ų7345.2 Ų45.234%0.33825%0.247SC..  trans-110.4144.3175.8-172.6-99.1000110.1S920 L921 N1014H918-S920 PolarHBondContact ND1-N 3.44Å; H918-S920 PolarHBondContact ND1-OG 2.94Å; H918-S920 PolarHBondContact O-N 3.47Å; H918-L921 WeakPolarHBondContact O-CB 3.34Å; H918-L921 PolarHBondContact O-N 2.74Å; H918-N1014 PolarHBondContact CD2-OD1 2.79Å; H918-N1014 PolarHBondContact NE2-OD1 2.93Å; H918-N1014 VanDerWaalsContact NE2-OD1 3.16Å
919H88.4Confident89Confident92 Ų9243.7 Ų43.743%0.42624%0.237SC..G310 helixtrans-61.5-22.8-171.2-164.6-56.8000113.2L921 L922H919-L921 PolarHBondContact O-N 3.02Å; H919-L921 VanDerWaalsContact O-N 3.11Å; H919-L922 WeakPolarHBondContact O-CB 3.35Å; H919-L922 PolarHBondContact O-N 2.85Å; H919-L922 VanDerWaalsContact O-N 3.15Å
920S87.9Confident89.4Confident98 Ų9843 Ų4369%0.68523%0.234SC*.G310 helixtrans-63.4-10.8172.664.10000114.8H918 L922H918-S920 PolarHBondContact ND1-N 3.44Å; H918-S920 PolarHBondContact ND1-OG 2.94Å; H918-S920 PolarHBondContact O-N 3.47Å; S920-L922 VanDerWaalsContact C-N 3.3Å
921L90.1Very high90Very high21 Ų2137 Ų3711%0.1121%0.207CC..G310 helixtrans-69.6-27.8173.2-175.864.1000112.4I898 H909 A912 P917 H918 H919 N923 L928 F930I898-L921 HydrophobicContact CD1-CD2 4.15Å; I898-L921 HydrophobicContact CG2-CD2 4.34Å; H909-L921 VanDerWaalsContact CE1-CD1 3.46Å; H909-L921 WeakPolarHBondContact CE1-CD1 3.25Å; H909-L921 WeakPolarHBondContact NE2-CD1 3.14Å; A912-L921 HydrophobicContact CB-CD1 4.33Å; A912-L921 HydrophobicContact CB-CD2 3.87Å; P917-L921 HydrophobicContact CB-CD2 3.99Å; H918-L921 WeakPolarHBondContact O-CB 3.34Å; H918-L921 PolarHBondContact O-N 2.74Å; H919-L921 PolarHBondContact O-N 3.02Å; H919-L921 VanDerWaalsContact O-N 3.11Å; L921-N923 VanDerWaalsContact C-N 3.34Å; L921-N923 PolarHBondContact O-N 2.93Å; L921-L928 HydrophobicContact CD1-CD1 4.47Å; L921-L928 HydrophobicContact CD2-CD1 4.45Å; L921-L928 HydrophobicContact CG-CD1 3.88Å; L921-F930 HydrophobicContact CD2-CE1 3.81Å; L921-F930 HydrophobicContact CD2-CZ 3.98Å
922L91.5Very high90.8Very high20 Ų2030.8 Ų30.811%0.10518%0.177CC..  trans-76.878.6-174.6-59.9-176.1000111.3H919 S920 P924 L928 F930 W939 F1008 F1012H919-L922 WeakPolarHBondContact O-CB 3.35Å; H919-L922 PolarHBondContact O-N 2.85Å; H919-L922 VanDerWaalsContact O-N 3.15Å; S920-L922 VanDerWaalsContact C-N 3.3Å; L922-P924 WeakPolarHBondContact O-CD 3.31Å; L922-L928 HydrophobicContact CD2-CD1 4.35Å; L922-F930 HydrophobicContact CD2-CE2 4.03Å; L922-F930 HydrophobicContact CD2-CZ 3.68Å; L922-W939 HydrophobicContact CB-CH2 3.9Å; L922-W939 HydrophobicContact CB-CZ2 3.75Å; L922-W939 HydrophobicContact CB-CZ3 4.46Å; L922-W939 HydrophobicContact CD2-CD2 3.82Å; L922-W939 HydrophobicContact CD2-CE3 4.17Å; L922-W939 HydrophobicContact CD2-CG 4.12Å; L922-W939 HydrophobicContact CD2-CZ2 4.31Å; L922-W939 HydrophobicContact CG-CZ2 4.45Å; L922-F1008 HydrophobicContact CD1-CE1 4.19Å; L922-F1008 HydrophobicContact CD2-CE1 4.47Å; L922-F1008 HydrophobicContact CD2-CZ 4.3Å; L922-F1012 HydrophobicContact CD1-CE1 4.27Å; L922-F1012 HydrophobicContact CD1-CZ 4.07Å; L922-F1012 HydrophobicContact CD2-CE1 4.14Å; L922-F1012 HydrophobicContact CD2-CZ 3.93Å; L922-F1012 HydrophobicContact CG-CE1 4.12Å; L922-F1012 HydrophobicContact CG-CZ 4.21Å
923N88.4Confident91.2Very high62 Ų6230.5 Ų30.533%0.33218%0.175SC..  trans-84.9121.5-179.6-174.7-34.3000111.7L921 T925 Q926 W939L921-N923 VanDerWaalsContact C-N 3.34Å; L921-N923 PolarHBondContact O-N 2.93Å; N923-T925 PolarHBondContact O-N 2.86Å; N923-T925 PolarHBondContact OD1-N 3.25Å; N923-T925 PolarHBondContact OD1-OG1 2.91Å; N923-Q926 HydrophobicContact CB-CB 4.3Å; N923-Q926 HydrophobicContact CB-CG 4.02Å; N923-Q926 PolarHBondContact O-N 2.88Å; N923-W939 WeakPolarHBondContact O-CH2 3.29Å; N923-W939 VanDerWaalsContact O-CZ3 3.29Å; N923-W939 WeakPolarHBondContact O-CZ3 3.43Å
924P91.8Very high91.5Very high36 Ų3630.1 Ų30.123%0.23417%0.173CC..THydrogen-bonded Turntrans-43.9-29175.9-38.641.1000118.4L922 G941 K942 D943L922-P924 WeakPolarHBondContact O-CD 3.31Å; P924-G941 CarbonylContact O-C 3.52Å; P924-G941 WeakPolarHBondContact O-CA 2.9Å; P924-K942 HydrophobicContact CB-CG 4.11Å; P924-K942 PolarHBondContact O-N 3.42Å; P924-D943 WeakPolarHBondContact CB-OD2 3.41Å; P924-D943 WeakPolarHBondContact O-CB 3.45Å; P924-D943 PolarHBondContact O-N 2.77Å
925T91.6Very high91.9Very high89 Ų8929.3 Ų29.355%0.54617%0.167SC..THydrogen-bonded Turntrans-92.6-1.3-178.363.20000113.9N923 D943N923-T925 PolarHBondContact O-N 2.86Å; N923-T925 PolarHBondContact OD1-N 3.25Å; N923-T925 PolarHBondContact OD1-OG1 2.91Å; T925-D943 HydrophobicContact CG2-CB 4.22Å
926Q92.1Very high92.3Very high43 Ų4327.7 Ų27.720%0.20116%0.155CC..  trans-113.5152.7-173.2-60.9-172.25.800112.4R900 N923 W939 G941 V944R900-Q926 VanDerWaalsContact CZ-OE1 3.32Å; N923-Q926 HydrophobicContact CB-CB 4.3Å; N923-Q926 HydrophobicContact CB-CG 4.02Å; N923-Q926 PolarHBondContact O-N 2.88Å; Q926-W939 WeakPolarHBondContact O-CZ3 3.34Å; Q926-G941 PolarHBondContact O-N 2.84Å; Q926-V944 VanDerWaalsContact C-CG2 3.44Å; Q926-V944 VanDerWaalsContact O-CG2 3.24Å; Q926-V944 WeakPolarHBondContact O-CG2 3.44Å
927T94.5Very high92.5Very high6 Ų626.2 Ų26.24%0.03715%0.146CC..EExtended strand (participates in β ladder)trans-108.8132.4160.7-69.60000109L901 L938 W939 H940 V944 A952L901-T927 PolarHBondContact N-O 2.85Å; T927-L938 HydrophobicContact CG2-CD1 3.48Å; T927-L938 VanDerWaalsContact CG2-CD1 3.48Å; T927-W939 WeakPolarHBondContact CA-O 3.25Å; T927-H940 VanDerWaalsContact CG2-ND1 3.33Å; T927-H940 WeakPolarHBondContact CG2-ND1 3.3Å; T927-H940 PolarHBondContact OG1-ND1 3.06Å; T927-V944 WeakPolarHBondContact OG1-CG1 3.3Å; T927-A952 HydrophobicContact CG2-CB 3.47Å; T927-A952 VanDerWaalsContact CG2-CB 3.47Å
928L96Very high92.8Very high0 Ų026.1 Ų26.10%015%0.146CC..EExtended strand (participates in β ladder)trans-122.7148.2-179-59.5177.5000109.6Y899 R900 L921 L922 F930 W939Y899-L928 CarbonylContact O-C 3.48Å; Y899-L928 VanDerWaalsContact O-CA 3.29Å; Y899-L928 WeakPolarHBondContact O-CA 3.3Å; R900-L928 HydrophobicContact CB-CD2 3.9Å; R900-L928 HydrophobicContact CG-CD2 4.24Å; L921-L928 HydrophobicContact CD1-CD1 4.47Å; L921-L928 HydrophobicContact CD2-CD1 4.45Å; L921-L928 HydrophobicContact CG-CD1 3.88Å; L922-L928 HydrophobicContact CD2-CD1 4.35Å; L928-F930 HydrophobicContact CB-CD2 4.25Å; L928-F930 HydrophobicContact CB-CE2 3.64Å; L928-F930 HydrophobicContact CB-CZ 4.28Å; L928-F930 HydrophobicContact CD1-CE2 4.04Å; L928-F930 HydrophobicContact CD1-CZ 3.91Å; L928-W939 HydrophobicContact CD1-CE3 4.38Å; L928-W939 HydrophobicContact CG-CE3 4.41Å; L928-W939 PolarHBondContact N-O 3.32Å; L928-W939 PolarHBondContact O-N 3.46Å
929L96.3Very high93.1Very high0 Ų022.7 Ų22.70%013%0.13CC..EExtended strand (participates in β ladder)trans-118.7117.8171.1-169.966.9000108.5I898 Y899 L906 L936 L938 A956 V959I898-L929 CarbonylContact C-O 3.59Å; I898-L929 WeakPolarHBondContact CA-O 3.5Å; Y899-L929 PolarHBondContact N-O 3.33Å; Y899-L929 PolarHBondContact O-N 2.89Å; L906-L929 HydrophobicContact CD1-CD2 3.62Å; L906-L929 HydrophobicContact CD2-CB 4.45Å; L929-L936 HydrophobicContact CD1-CD2 3.68Å; L929-L936 HydrophobicContact CD1-CG 4.4Å; L929-L936 HydrophobicContact CD2-CD2 4.29Å; L929-L936 HydrophobicContact CG-CD2 4.19Å; L929-L938 HydrophobicContact CD1-CB 3.85Å; L929-L938 HydrophobicContact CD1-CD1 4.16Å; L929-A956 HydrophobicContact CD1-CB 3.58Å; L929-A956 HydrophobicContact CD2-CB 3.97Å; L929-A956 HydrophobicContact CG-CB 4.42Å; L929-V959 HydrophobicContact CD2-CB 4.12Å; L929-V959 HydrophobicContact CD2-CG1 4.28Å; L929-V959 HydrophobicContact CD2-CG2 4.13Å
930F96.3Very high93.4Very high0 Ų018.6 Ų18.60%011%0.111CC..EExtended strand (participates in β ladder)trans-101.3126176.2-62-103.4000108.8I898 P917 L921 L922 L928 F932 L936 Y937 W939 F1008 F1012I898-F930 HydrophobicContact CD1-CD1 3.46Å; I898-F930 VanDerWaalsContact CD1-CD1 3.46Å; I898-F930 HydrophobicContact CD1-CE1 3.61Å; I898-F930 HydrophobicContact CG1-CD1 3.73Å; I898-F930 HydrophobicContact CG1-CE1 4.26Å; I898-F930 HydrophobicContact CG1-CG 4.42Å; I898-F930 HydrophobicContact CG2-CD1 4.26Å; I898-F930 HydrophobicContact CG2-CE1 4.28Å; P917-F930 HydrophobicContact CB-CE1 4.16Å; P917-F930 HydrophobicContact CG-CE1 4.33Å; L921-F930 HydrophobicContact CD2-CE1 3.81Å; L921-F930 HydrophobicContact CD2-CZ 3.98Å; L922-F930 HydrophobicContact CD2-CE2 4.03Å; L922-F930 HydrophobicContact CD2-CZ 3.68Å; L928-F930 HydrophobicContact CB-CD2 4.25Å; L928-F930 HydrophobicContact CB-CE2 3.64Å; L928-F930 HydrophobicContact CB-CZ 4.28Å; L928-F930 HydrophobicContact CD1-CE2 4.04Å; L928-F930 HydrophobicContact CD1-CZ 3.91Å; F930-F932 HydrophobicContact CB-CD2 4.23Å; F930-F932 HydrophobicContact CB-CE2 3.58Å; F930-F932 HydrophobicContact CB-CZ 3.82Å; F930-F932 HydrophobicContact CD1-CE1 4.47Å; F930-F932 HydrophobicContact CD1-CE2 4.22Å; F930-F932 AromaticContact CD1-CZ 3.68Å; F930-F932 HydrophobicContact CD1-CZ 3.68Å; F930-F932 HydrophobicContact CG-CE2 4.22Å; F930-F932 HydrophobicContact CG-CZ 4.13Å; F930-L936 CarbonylContact O-C 3.55Å; F930-L936 VanDerWaalsContact O-CA 3.26Å; F930-L936 WeakPolarHBondContact O-CA 3.35Å; F930-Y937 PolarHBondContact N-O 3.31Å; F930-Y937 PolarHBondContact O-N 3.13Å; F930-W939 HydrophobicContact CD2-CB 4.3Å; F930-W939 HydrophobicContact CE2-CB 3.94Å; F930-F1008 AromaticContact CD2-CE2 3.83Å; F930-F1008 HydrophobicContact CD2-CE2 3.83Å; F930-F1008 HydrophobicContact CD2-CZ 4.04Å; F930-F1008 HydrophobicContact CE2-CE2 4.12Å; F930-F1008 AromaticContact CE2-CZ 3.84Å; F930-F1008 HydrophobicContact CE2-CZ 3.84Å; F930-F1008 HydrophobicContact CG-CE2 4.15Å; F930-F1008 HydrophobicContact CZ-CZ 4.25Å; F930-F1012 HydrophobicContact CD1-CZ 4.43Å; F930-F1012 AromaticContact CE1-CE1 3.91Å; F930-F1012 HydrophobicContact CE1-CE1 3.91Å; F930-F1012 AromaticContact CE1-CZ 3.65Å; F930-F1012 HydrophobicContact CE1-CZ 3.65Å; F930-F1012 HydrophobicContact CZ-CE1 4.12Å; F930-F1012 AromaticContact CZ-CZ 3.76Å; F930-F1012 HydrophobicContact CZ-CZ 3.76Å
931D94.5Very high93.6Very high8 Ų813.9 Ų13.94%0.0438%0.078CC..EExtended strand (participates in β ladder)trans-115.1113.5172.1175.41000108.3C897 G933 L936 Y966 R990C897-D931 HydrophobicContact CB-CB 4.07Å; C897-D931 PolarHBondContact N-O 2.83Å; C897-D931 PolarHBondContact O-N 3.44Å; D931-G933 PolarHBondContact OD1-N 3.44Å; D931-L936 HydrophobicContact CB-CD1 3.84Å; D931-L936 HydrophobicContact CB-CG 4.41Å; D931-Y966 PolarHBondContact OD1-OH 2.96Å; D931-Y966 PolarHBondContact OD2-OH 3.34Å; D931-R990 VanDerWaalsContact CG-NH2 3.31Å; D931-R990 IonicContact OD1-CZ 3.85Å; D931-R990 IonicContact OD1-NH1 2.77Å; D931-R990 PolarHBondContact OD1-NH1 3.1Å; D931-R990 IonicContact OD1-NH2 3.53Å; D931-R990 PolarHBondContact OD1-NH2 2.72Å; D931-R990 IonicContact OD2-CZ 3.88Å; D931-R990 IonicContact OD2-NH1 3.17Å; D931-R990 IonicContact OD2-NH2 2.98Å; D931-R990 PolarHBondContact OD2-NH2 2.66Å
932F94.2Very high93.7Very high0 Ų018 Ų180%010%0.095CC..  trans-110.412.7-179.7-62.8-60.2000112.5R790 N896 P917 F930 S934 E935 Y937 K1011R790-F932 PolarHBondContact NH1-O 2.85Å; R790-F932 VanDerWaalsContact NH1-O 3.14Å; N896-F932 HydrophobicContact CB-CD1 4.39Å; P917-F932 HydrophobicContact CG-CE1 4.29Å; P917-F932 HydrophobicContact CG-CZ 4.26Å; F930-F932 HydrophobicContact CB-CD2 4.23Å; F930-F932 HydrophobicContact CB-CE2 3.58Å; F930-F932 HydrophobicContact CB-CZ 3.82Å; F930-F932 HydrophobicContact CD1-CE1 4.47Å; F930-F932 HydrophobicContact CD1-CE2 4.22Å; F930-F932 AromaticContact CD1-CZ 3.68Å; F930-F932 HydrophobicContact CD1-CZ 3.68Å; F930-F932 HydrophobicContact CG-CE2 4.22Å; F930-F932 HydrophobicContact CG-CZ 4.13Å; F932-S934 PolarHBondContact O-N 3.47Å; F932-E935 WeakPolarHBondContact CB-OE2 3.14Å; F932-E935 PolarHBondContact N-O 3.31Å; F932-Y937 AromaticContact CD2-CD2 3.83Å; F932-Y937 HydrophobicContact CD2-CD2 3.83Å; F932-Y937 HydrophobicContact CD2-CE2 4.1Å; F932-Y937 AromaticContact CE2-CD2 3.92Å; F932-Y937 HydrophobicContact CE2-CD2 3.92Å; F932-Y937 HydrophobicContact CE2-CE2 4.37Å; F932-K1011 HydrophobicContact CD1-CD 4.43Å; F932-K1011 HydrophobicContact CD2-CD 4Å; F932-K1011 HydrophobicContact CD2-CG 3.99Å; F932-K1011 HydrophobicContact CE1-CB 4.03Å; F932-K1011 HydrophobicContact CE1-CD 4.49Å; F932-K1011 HydrophobicContact CE1-CG 4.39Å; F932-K1011 HydrophobicContact CE2-CB 3.84Å; F932-K1011 HydrophobicContact CE2-CD 4.07Å; F932-K1011 HydrophobicContact CE2-CG 3.56Å; F932-K1011 HydrophobicContact CG-CD 4.19Å; F932-K1011 HydrophobicContact CZ-CB 3.5Å; F932-K1011 HydrophobicContact CZ-CD 4.31Å; F932-K1011 HydrophobicContact CZ-CG 3.78Å
933G91.8Very high93.6Very high0 Ų022 Ų220%012%0.117CC..SBendtrans87.7-90.4-170.300000112.2D931 E935 L974 R990D931-G933 PolarHBondContact OD1-N 3.44Å; G933-E935 VanDerWaalsContact C-N 3.28Å; G933-E935 PolarHBondContact O-N 3.22Å; G933-L974 WeakPolarHBondContact O-CD2 3.28Å; G933-R990 PolarHBondContact O-NH1 3.02Å
934S92.5Very high93.8Very high0 Ų019.3 Ų19.30%010%0.102CC..SBendtrans-70.6-19.2-179530000114.6M791 F932 P973 A994 L995M791-S934 WeakPolarHBondContact O-CB 3.48Å; M791-S934 PolarHBondContact O-OG 2.84Å; F932-S934 PolarHBondContact O-N 3.47Å; S934-P973 PolarHBondContact N-O 3.19Å; S934-A994 CarbonylContact O-C 3.53Å; S934-A994 WeakPolarHBondContact O-CA 3.09Å; S934-A994 WeakPolarHBondContact O-CB 2.88Å; S934-L995 PolarHBondContact O-N 3.18Å
935E94.1Very high93.7Very high0 Ų018.8 Ų18.80%010%0.103CC..EExtended strand (participates in β ladder)trans-124.5142.6169.7-38.299.315900112M791 F932 G933 Y937 L995 L1007 K1011M791-E935 HydrophobicContact CB-CG 3.97Å; M791-E935 WeakPolarHBondContact CB-OE1 3.44Å; M791-E935 HydrophobicContact CE-CG 4.06Å; M791-E935 PolarHBondContact N-OE1 2.83Å; F932-E935 WeakPolarHBondContact CB-OE2 3.14Å; F932-E935 PolarHBondContact N-O 3.31Å; G933-E935 VanDerWaalsContact C-N 3.28Å; G933-E935 PolarHBondContact O-N 3.22Å; E935-Y937 HydrophobicContact CB-CD2 3.96Å; E935-Y937 HydrophobicContact CB-CE2 3.31Å; E935-Y937 HydrophobicContact CG-CE2 3.98Å; E935-L995 WeakPolarHBondContact CA-O 3.5Å; E935-L995 HydrophobicContact CB-CB 4.41Å; E935-L995 HydrophobicContact CG-CB 4.39Å; E935-L1007 HydrophobicContact CG-CD2 4.39Å; E935-K1011 IonicContact OE1-NZ 2.83Å; E935-K1011 PolarHBondContact OE1-NZ 2.67Å; E935-K1011 WeakPolarHBondContact OE2-CE 3.17Å; E935-K1011 IonicContact OE2-NZ 3.64Å; E935-K1011 PolarHBondContact OE2-NZ 3.44Å
936L94.5Very high93.7Very high0 Ų019.6 Ų19.60%011%0.11CC..EExtended strand (participates in β ladder)trans-132.6108.7175.7-167.4135.4000109.6L929 F930 D931 V959 W960 L995 F996 G997L929-L936 HydrophobicContact CD1-CD2 3.68Å; L929-L936 HydrophobicContact CD1-CG 4.4Å; L929-L936 HydrophobicContact CD2-CD2 4.29Å; L929-L936 HydrophobicContact CG-CD2 4.19Å; F930-L936 CarbonylContact O-C 3.55Å; F930-L936 VanDerWaalsContact O-CA 3.26Å; F930-L936 WeakPolarHBondContact O-CA 3.35Å; D931-L936 HydrophobicContact CB-CD1 3.84Å; D931-L936 HydrophobicContact CB-CG 4.41Å; L936-V959 HydrophobicContact CD1-CG1 3.93Å; L936-W960 HydrophobicContact CB-CE3 3.67Å; L936-W960 HydrophobicContact CB-CZ3 3.72Å; L936-W960 HydrophobicContact CD1-CE3 4.46Å; L936-W960 HydrophobicContact CD2-CE3 4.23Å; L936-W960 HydrophobicContact CG-CE3 4.34Å; L936-L995 PolarHBondContact N-O 2.81Å; L936-F996 HydrophobicContact CD2-CD2 3.61Å; L936-F996 HydrophobicContact CD2-CE2 3.55Å; L936-G997 PolarHBondContact O-N 3.43Å
937Y95.8Very high93.6Very high0 Ų022.3 Ų22.30%013%0.134CC..EExtended strand (participates in β ladder)trans-110.1115.8-171.1-64.1-80.2000112.3P772 F930 F932 E935 W939 L995 G997 V999 L1007 F1008P772-Y937 HydrophobicContact CB-CE1 4.38Å; P772-Y937 HydrophobicContact CG-CD1 4.48Å; P772-Y937 HydrophobicContact CG-CE1 4.33Å; F930-Y937 PolarHBondContact N-O 3.31Å; F930-Y937 PolarHBondContact O-N 3.13Å; F932-Y937 AromaticContact CD2-CD2 3.83Å; F932-Y937 HydrophobicContact CD2-CD2 3.83Å; F932-Y937 HydrophobicContact CD2-CE2 4.1Å; F932-Y937 AromaticContact CE2-CD2 3.92Å; F932-Y937 HydrophobicContact CE2-CD2 3.92Å; F932-Y937 HydrophobicContact CE2-CE2 4.37Å; E935-Y937 HydrophobicContact CB-CD2 3.96Å; E935-Y937 HydrophobicContact CB-CE2 3.31Å; E935-Y937 HydrophobicContact CG-CE2 3.98Å; Y937-W939 PolarHBondContact O-N 3.23Å; Y937-L995 HydrophobicContact CE1-CD2 4.12Å; Y937-G997 WeakPolarHBondContact CA-O 3.41Å; Y937-V999 HydrophobicContact CD1-CG2 3.6Å; Y937-V999 HydrophobicContact CE1-CG2 4.38Å; Y937-V999 HydrophobicContact CG-CG2 4.3Å; Y937-L1007 WeakPolarHBondContact OH-CG 3.49Å; Y937-F1008 HydrophobicContact CD1-CD2 4.03Å; Y937-F1008 AromaticContact CD2-CD2 3.66Å; Y937-F1008 HydrophobicContact CD2-CD2 3.66Å; Y937-F1008 HydrophobicContact CD2-CE2 4.28Å; Y937-F1008 HydrophobicContact CE1-CB 4.4Å; Y937-F1008 HydrophobicContact CE1-CD2 4.5Å; Y937-F1008 HydrophobicContact CE2-CD2 4.14Å; Y937-F1008 AromaticContact CG-CD2 3.57Å; Y937-F1008 HydrophobicContact CG-CD2 3.57Å; Y937-F1008 HydrophobicContact CG-CE2 4.07Å
938L96.3Very high93.4Very high0 Ų026.6 Ų26.60%015%0.153CC..EExtended strand (participates in β ladder)trans-83.3104.9165.9177.464.8000109.1T927 L929 A952 L953 A956 G997 R998 V999T927-L938 HydrophobicContact CG2-CD1 3.48Å; T927-L938 VanDerWaalsContact CG2-CD1 3.48Å; L929-L938 HydrophobicContact CD1-CB 3.85Å; L929-L938 HydrophobicContact CD1-CD1 4.16Å; L938-A952 HydrophobicContact CD1-CB 4.02Å; L938-L953 HydrophobicContact CD2-CB 3.92Å; L938-L953 HydrophobicContact CD2-CD1 4.02Å; L938-A956 HydrophobicContact CB-CB 4.37Å; L938-A956 HydrophobicContact CD1-CB 4.19Å; L938-A956 HydrophobicContact CD2-CB 4.15Å; L938-A956 HydrophobicContact CG-CB 4.49Å; L938-G997 PolarHBondContact N-O 2.78Å; L938-R998 WeakPolarHBondContact O-CA 3.28Å; L938-V999 PolarHBondContact O-N 3.04Å
939W96Very high93.2Very high1 Ų130.2 Ų30.20%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-97.5126177.4-177.292.8000111.1L922 N923 Q926 T927 L928 F930 Y937 G941 V999 D1001 E1004 F1008L922-W939 HydrophobicContact CB-CH2 3.9Å; L922-W939 HydrophobicContact CB-CZ2 3.75Å; L922-W939 HydrophobicContact CB-CZ3 4.46Å; L922-W939 HydrophobicContact CD2-CD2 3.82Å; L922-W939 HydrophobicContact CD2-CE3 4.17Å; L922-W939 HydrophobicContact CD2-CG 4.12Å; L922-W939 HydrophobicContact CD2-CZ2 4.31Å; L922-W939 HydrophobicContact CG-CZ2 4.45Å; N923-W939 WeakPolarHBondContact O-CH2 3.29Å; N923-W939 VanDerWaalsContact O-CZ3 3.29Å; N923-W939 WeakPolarHBondContact O-CZ3 3.43Å; Q926-W939 WeakPolarHBondContact O-CZ3 3.34Å; T927-W939 WeakPolarHBondContact CA-O 3.25Å; L928-W939 HydrophobicContact CD1-CE3 4.38Å; L928-W939 HydrophobicContact CG-CE3 4.41Å; L928-W939 PolarHBondContact N-O 3.32Å; L928-W939 PolarHBondContact O-N 3.46Å; F930-W939 HydrophobicContact CD2-CB 4.3Å; F930-W939 HydrophobicContact CE2-CB 3.94Å; Y937-W939 PolarHBondContact O-N 3.23Å; W939-G941 VanDerWaalsContact CZ3-N 3.31Å; W939-V999 WeakPolarHBondContact CA-O 3.17Å; W939-V999 HydrophobicContact CB-CB 4.48Å; W939-D1001 HydrophobicContact CH2-CB 4.46Å; W939-D1001 HydrophobicContact CZ2-CB 3.78Å; W939-E1004 PolarHBondContact NE1-OE1 3.05Å; W939-F1008 HydrophobicContact CB-CZ 4.13Å; W939-F1008 AromaticContact CD1-CE1 3.78Å; W939-F1008 AromaticContact CD1-CZ 3.81Å; W939-F1008 HydrophobicContact CG-CZ 4.17Å
940H94.8Very high93Very high6 Ų636.9 Ų36.93%0.02820%0.196CC..EExtended strand (participates in β ladder)trans-109.2119.6174.9-63-58.9000111.5T927 R949 V999 F1000 D1001T927-H940 VanDerWaalsContact CG2-ND1 3.33Å; T927-H940 WeakPolarHBondContact CG2-ND1 3.3Å; T927-H940 PolarHBondContact OG1-ND1 3.06Å; H940-R949 HydrophobicContact CB-CG 4.48Å; H940-V999 PolarHBondContact N-O 2.92Å; H940-F1000 HydrophobicContact CB-CD1 3.78Å; H940-F1000 HydrophobicContact CB-CE1 4.02Å; H940-F1000 AromaticContact CD2-CE1 3.52Å; H940-F1000 AromaticContact CD2-CZ 3.93Å; H940-F1000 WeakPolarHBondContact O-CA 3.26Å; H940-D1001 PolarHBondContact O-N 3.04Å
941G92.4Very high92.9Very high0 Ų039.5 Ų39.50%021%0.209CC..  trans-59.3147.7165.200000112.2P924 Q926 W939 D943 V944P924-G941 CarbonylContact O-C 3.52Å; P924-G941 WeakPolarHBondContact O-CA 2.9Å; Q926-G941 PolarHBondContact O-N 2.84Å; W939-G941 VanDerWaalsContact CZ3-N 3.31Å; G941-D943 PolarHBondContact O-N 3.1Å; G941-D943 VanDerWaalsContact O-N 3.16Å; G941-V944 WeakPolarHBondContact O-CB 3.46Å; G941-V944 WeakPolarHBondContact O-CG2 3.39Å; G941-V944 PolarHBondContact O-N 3.5Å
942K91.4Very high92.9Very high106 Ų10639.1 Ų39.146%0.46121%0.207SC..THydrogen-bonded Turntrans-58-30.7-174.966.1-164165.2-153.40114.3P924 R949 D1001P924-K942 HydrophobicContact CB-CG 4.11Å; P924-K942 PolarHBondContact O-N 3.42Å; K942-R949 PolarHBondContact O-NH2 2.82Å; K942-D1001 HydrophobicContact CB-CB 4.01Å; K942-D1001 WeakPolarHBondContact CB-OD2 3.17Å; K942-D1001 VanDerWaalsContact CD-OD2 3.23Å; K942-D1001 WeakPolarHBondContact CD-OD2 3.16Å; K942-D1001 WeakPolarHBondContact CG-OD2 3.13Å; K942-D1001 PolarHBondContact N-OD2 2.9Å; K942-D1001 IonicContact NZ-OD2 2.65Å
943D90.9Very high92.9Very high106 Ų10640.5 Ų40.557%0.56722%0.215SC*.THydrogen-bonded Turntrans-90.8-6.4-173-58.9-49.5000113.5P924 T925 G941P924-D943 WeakPolarHBondContact CB-OD2 3.41Å; P924-D943 WeakPolarHBondContact O-CB 3.45Å; P924-D943 PolarHBondContact O-N 2.77Å; T925-D943 HydrophobicContact CG2-CB 4.22Å; G941-D943 PolarHBondContact O-N 3.1Å; G941-D943 VanDerWaalsContact O-N 3.16Å
944V91.5Very high92.9Very high5 Ų545.4 Ų45.43%0.0324%0.238CC..  trans-62.9137.7-179.4178.20000111.9Q926 T927 G941 E948 R949Q926-V944 VanDerWaalsContact C-CG2 3.44Å; Q926-V944 VanDerWaalsContact O-CG2 3.24Å; Q926-V944 WeakPolarHBondContact O-CG2 3.44Å; T927-V944 WeakPolarHBondContact OG1-CG1 3.3Å; G941-V944 WeakPolarHBondContact O-CB 3.46Å; G941-V944 WeakPolarHBondContact O-CG2 3.39Å; G941-V944 PolarHBondContact O-N 3.5Å; V944-E948 HydrophobicContact CG1-CB 3.74Å; V944-R949 HydrophobicContact CB-CG 4.24Å; V944-R949 HydrophobicContact CG1-CG 3.71Å; V944-R949 PolarHBondContact O-NE 2.78Å; V944-R949 PolarHBondContact O-NH2 2.79Å
945G89.4Confident93Very high24 Ų2446.7 Ų46.725%0.24724%0.244CC..  trans-70.9149.3-18000000114.3S947 E948 R949G945-S947 PolarHBondContact O-N 3Å; G945-E948 PolarHBondContact N-OE2 3.03Å; G945-E948 WeakPolarHBondContact O-CB 3.23Å; G945-E948 PolarHBondContact O-N 2.93Å; G945-R949 WeakPolarHBondContact O-CG 3.48Å; G945-R949 PolarHBondContact O-N 2.87Å
946P91.4Very high93Very high107 Ų10746.7 Ų46.770%0.69524%0.244SC*.Hα-helixtrans-61.9-28.6-177.324.8-34.5000113.8K950P946-K950 WeakPolarHBondContact O-CB 3.34Å; P946-K950 PolarHBondContact O-N 3.2Å; P946-K950 VanDerWaalsContact O-N 3.08Å
947S90.1Very high92.9Very high99 Ų9950.5 Ų50.569%0.69226%0.262SS*.Hα-helixtrans-65.5-42.8173.6-54.30000112.2G945 K950 L951G945-S947 PolarHBondContact O-N 3Å; S947-K950 PolarHBondContact O-N 2.72Å; S947-L951 WeakPolarHBondContact O-CB 3.5Å; S947-L951 PolarHBondContact O-N 3.32Å
948E90.7Very high92.7Very high96 Ų9656.7 Ų56.745%0.44929%0.291SS..Hα-helixtrans-69.7-42.1178.2-64166.3151.800110.6L901 V944 G945 K950 L951 A952L901-E948 HydrophobicContact CD2-CB 3.93Å; L901-E948 HydrophobicContact CD2-CG 4.46Å; V944-E948 HydrophobicContact CG1-CB 3.74Å; G945-E948 PolarHBondContact N-OE2 3.03Å; G945-E948 WeakPolarHBondContact O-CB 3.23Å; G945-E948 PolarHBondContact O-N 2.93Å; E948-K950 VanDerWaalsContact C-N 3.27Å; E948-K950 PolarHBondContact O-N 2.69Å; E948-L951 PolarHBondContact O-N 3.42Å; E948-A952 VanDerWaalsContact O-CB 3.3Å; E948-A952 WeakPolarHBondContact O-CB 3.33Å; E948-A952 PolarHBondContact O-N 2.99Å
949R92.5Very high92.4Very high76 Ų7658 Ų5829%0.28730%0.299SS..Hα-helixtrans-56.3-42.7173-61.1-178.9-159.2-160.2-1.4111.3H940 K942 V944 G945 L953H940-R949 HydrophobicContact CB-CG 4.48Å; K942-R949 PolarHBondContact O-NH2 2.82Å; V944-R949 HydrophobicContact CB-CG 4.24Å; V944-R949 HydrophobicContact CG1-CG 3.71Å; V944-R949 PolarHBondContact O-NE 2.78Å; V944-R949 PolarHBondContact O-NH2 2.79Å; G945-R949 WeakPolarHBondContact O-CG 3.48Å; G945-R949 PolarHBondContact O-N 2.87Å; R949-L953 VanDerWaalsContact O-CB 3.3Å; R949-L953 WeakPolarHBondContact O-CB 3.35Å; R949-L953 PolarHBondContact O-N 2.79Å
950K92.9Very high92.2Very high141 Ų14160 Ų6061%0.61331%0.306SS*.Hα-helixtrans-67.7-44.6177-176.4179.2174.4-1770112.6P946 S947 E948 L953 Q954P946-K950 WeakPolarHBondContact O-CB 3.34Å; P946-K950 PolarHBondContact O-N 3.2Å; P946-K950 VanDerWaalsContact O-N 3.08Å; S947-K950 PolarHBondContact O-N 2.72Å; E948-K950 VanDerWaalsContact C-N 3.27Å; E948-K950 PolarHBondContact O-N 2.69Å; K950-L953 WeakPolarHBondContact O-CB 3.43Å; K950-L953 PolarHBondContact O-N 3.38Å; K950-Q954 WeakPolarHBondContact O-CG 3.28Å; K950-Q954 PolarHBondContact O-N 2.74Å; K950-Q954 VanDerWaalsContact O-N 3.09Å
951L93.4Very high91.9Very high54 Ų5465.1 Ų65.128%0.28333%0.334SS..Hα-helixtrans-61.9-51.8177.1170.763.5000111.4L901 G903 S947 E948 L953 Q954 L955L901-L951 HydrophobicContact CD1-CD2 4.23Å; L901-L951 HydrophobicContact CD1-CG 4.27Å; G903-L951 VanDerWaalsContact O-CD2 3.3Å; G903-L951 WeakPolarHBondContact O-CD2 3.37Å; S947-L951 WeakPolarHBondContact O-CB 3.5Å; S947-L951 PolarHBondContact O-N 3.32Å; E948-L951 PolarHBondContact O-N 3.42Å; L951-L953 PolarHBondContact O-N 3.37Å; L951-Q954 WeakPolarHBondContact O-CB 3.37Å; L951-Q954 PolarHBondContact O-N 3.36Å; L951-L955 HydrophobicContact CD1-CD1 4.05Å; L951-L955 HydrophobicContact CD1-CG 4.23Å; L951-L955 HydrophobicContact CG-CD1 4.07Å; L951-L955 WeakPolarHBondContact O-CG 3.36Å; L951-L955 PolarHBondContact O-N 3.24Å
952A93.8Very high91.6Very high0 Ų065.5 Ų65.50%034%0.338CS..Hα-helixtrans-60.4-34.5179.100000112.2L901 T927 L938 E948 L955 A956L901-A952 HydrophobicContact CD1-CB 3.99Å; L901-A952 HydrophobicContact CD2-CB 4.14Å; L901-A952 HydrophobicContact CG-CB 4.47Å; T927-A952 HydrophobicContact CG2-CB 3.47Å; T927-A952 VanDerWaalsContact CG2-CB 3.47Å; L938-A952 HydrophobicContact CD1-CB 4.02Å; E948-A952 VanDerWaalsContact O-CB 3.3Å; E948-A952 WeakPolarHBondContact O-CB 3.33Å; E948-A952 PolarHBondContact O-N 2.99Å; A952-L955 PolarHBondContact O-N 2.84Å; A952-A956 WeakPolarHBondContact O-CB 3.33Å; A952-A956 PolarHBondContact O-N 3.17Å
953L94.3Very high91.3Very high29 Ų2962.3 Ų62.315%0.15233%0.332CS..Hα-helixtrans-62.4-45.9170.8173.661.2000112.4L938 R949 K950 L951 L955 A956 Q957 F996 R998L938-L953 HydrophobicContact CD2-CB 3.92Å; L938-L953 HydrophobicContact CD2-CD1 4.02Å; R949-L953 VanDerWaalsContact O-CB 3.3Å; R949-L953 WeakPolarHBondContact O-CB 3.35Å; R949-L953 PolarHBondContact O-N 2.79Å; K950-L953 WeakPolarHBondContact O-CB 3.43Å; K950-L953 PolarHBondContact O-N 3.38Å; L951-L953 PolarHBondContact O-N 3.37Å; L953-L955 VanDerWaalsContact C-N 3.31Å; L953-L955 PolarHBondContact O-N 3.12Å; L953-A956 PolarHBondContact O-N 3.1Å; L953-Q957 HydrophobicContact CD1-CG 4.03Å; L953-Q957 VanDerWaalsContact O-CG 3.31Å; L953-Q957 WeakPolarHBondContact O-CG 3.24Å; L953-Q957 PolarHBondContact O-N 2.72Å; L953-F996 HydrophobicContact CD1-CE1 4.1Å; L953-F996 HydrophobicContact CD1-CZ 4.12Å; L953-R998 VanDerWaalsContact CD1-CZ 3.44Å; L953-R998 VanDerWaalsContact CD1-NE 3.35Å; L953-R998 VanDerWaalsContact CD2-CZ 3.49Å
954Q93.4Very high91Very high104 Ų10458.3 Ų58.349%0.48631%0.309SS..Hα-helixtrans-62.5-39.2178.2-68.3178.4-98.900111.7K950 L951 Q958K950-Q954 WeakPolarHBondContact O-CG 3.28Å; K950-Q954 PolarHBondContact O-N 2.74Å; K950-Q954 VanDerWaalsContact O-N 3.09Å; L951-Q954 WeakPolarHBondContact O-CB 3.37Å; L951-Q954 PolarHBondContact O-N 3.36Å; Q954-Q958 WeakPolarHBondContact O-CG 3.47Å; Q954-Q958 PolarHBondContact O-N 2.85Å
955L93.9Very high90.6Very high26 Ų2659.8 Ų59.814%0.13632%0.317CS..Hα-helixtrans-70.2-41.5175.5-61.7170.5000112L901 L906 L951 A952 L953 Q957 Q958 V959L901-L955 HydrophobicContact CD1-CD1 3.75Å; L906-L955 HydrophobicContact CD1-CB 3.69Å; L906-L955 HydrophobicContact CG-CB 3.84Å; L906-L955 HydrophobicContact CG-CD1 4.11Å; L951-L955 HydrophobicContact CD1-CD1 4.05Å; L951-L955 HydrophobicContact CD1-CG 4.23Å; L951-L955 HydrophobicContact CG-CD1 4.07Å; L951-L955 WeakPolarHBondContact O-CG 3.36Å; L951-L955 PolarHBondContact O-N 3.24Å; A952-L955 PolarHBondContact O-N 2.84Å; L953-L955 VanDerWaalsContact C-N 3.31Å; L953-L955 PolarHBondContact O-N 3.12Å; L955-Q957 VanDerWaalsContact C-N 3.32Å; L955-Q957 PolarHBondContact O-N 2.98Å; L955-Q958 WeakPolarHBondContact O-CB 3.39Å; L955-Q958 PolarHBondContact O-N 2.85Å; L955-Q958 VanDerWaalsContact O-N 3.11Å; L955-V959 PolarHBondContact O-N 2.99Å; L955-V959 VanDerWaalsContact O-N 3.08Å
956A93.4Very high90.4Very high0 Ų059 Ų590%031%0.306CS..Hα-helixtrans-63.6-36.1176.600000112.5L929 L938 A952 L953 V959 W960 F996L929-A956 HydrophobicContact CD1-CB 3.58Å; L929-A956 HydrophobicContact CD2-CB 3.97Å; L929-A956 HydrophobicContact CG-CB 4.42Å; L938-A956 HydrophobicContact CB-CB 4.37Å; L938-A956 HydrophobicContact CD1-CB 4.19Å; L938-A956 HydrophobicContact CD2-CB 4.15Å; L938-A956 HydrophobicContact CG-CB 4.49Å; A952-A956 WeakPolarHBondContact O-CB 3.33Å; A952-A956 PolarHBondContact O-N 3.17Å; L953-A956 PolarHBondContact O-N 3.1Å; A956-V959 PolarHBondContact O-N 2.77Å; A956-W960 WeakPolarHBondContact O-CB 3.35Å; A956-W960 PolarHBondContact O-N 2.94Å; A956-F996 HydrophobicContact CB-CE2 4.01Å; A956-F996 HydrophobicContact CB-CZ 3.95Å
957Q92.2Very high89.7Confident80 Ų8056.6 Ų56.637%0.37429%0.292SS..Hα-helixtrans-65.5-38.6171.7-70.5-177.7-79.900111.6L953 L955 V959 W960 D961 F996L953-Q957 HydrophobicContact CD1-CG 4.03Å; L953-Q957 VanDerWaalsContact O-CG 3.31Å; L953-Q957 WeakPolarHBondContact O-CG 3.24Å; L953-Q957 PolarHBondContact O-N 2.72Å; L955-Q957 VanDerWaalsContact C-N 3.32Å; L955-Q957 PolarHBondContact O-N 2.98Å; Q957-V959 VanDerWaalsContact C-N 3.29Å; Q957-V959 PolarHBondContact O-N 3.38Å; Q957-W960 PolarHBondContact O-N 3.23Å; Q957-W960 VanDerWaalsContact O-N 3.17Å; Q957-D961 WeakPolarHBondContact O-CB 3.4Å; Q957-D961 VanDerWaalsContact O-CG 3.28Å; Q957-D961 PolarHBondContact O-N 2.88Å; Q957-F996 HydrophobicContact CG-CZ 4.21Å
958Q91.1Very high88.8Confident131 Ų13155.4 Ų55.461%0.61228%0.278SS*.Hα-helixtrans-65-28.1173.7-71.2173.6-22.800113.9Q954 L955 G962Q954-Q958 WeakPolarHBondContact O-CG 3.47Å; Q954-Q958 PolarHBondContact O-N 2.85Å; L955-Q958 WeakPolarHBondContact O-CB 3.39Å; L955-Q958 PolarHBondContact O-N 2.85Å; L955-Q958 VanDerWaalsContact O-N 3.11Å; Q958-G962 WeakPolarHBondContact O-CA 3.28Å; Q958-G962 PolarHBondContact O-N 3.29Å
959V90.4Very high88.2Confident26 Ų2651.2 Ų51.216%0.15826%0.259CS..Hα-helixtrans-78.4-33.3172.3179.10000111.5L906 L929 L936 L955 A956 Q957L906-V959 HydrophobicContact CD1-CG2 3.93Å; L929-V959 HydrophobicContact CD2-CB 4.12Å; L929-V959 HydrophobicContact CD2-CG1 4.28Å; L929-V959 HydrophobicContact CD2-CG2 4.13Å; L936-V959 HydrophobicContact CD1-CG1 3.93Å; L955-V959 PolarHBondContact O-N 2.99Å; L955-V959 VanDerWaalsContact O-N 3.08Å; A956-V959 PolarHBondContact O-N 2.77Å; Q957-V959 VanDerWaalsContact C-N 3.29Å; Q957-V959 PolarHBondContact O-N 3.38Å
960W92.1Very high87.7Confident44 Ų4455.7 Ų55.717%0.16728%0.276CS..Hα-helixtrans-70.6-50176.2-178.6-95.5000113L936 A956 Q957 G962 R990 A994 F996L936-W960 HydrophobicContact CB-CE3 3.67Å; L936-W960 HydrophobicContact CB-CZ3 3.72Å; L936-W960 HydrophobicContact CD1-CE3 4.46Å; L936-W960 HydrophobicContact CD2-CE3 4.23Å; L936-W960 HydrophobicContact CG-CE3 4.34Å; A956-W960 WeakPolarHBondContact O-CB 3.35Å; A956-W960 PolarHBondContact O-N 2.94Å; Q957-W960 PolarHBondContact O-N 3.23Å; Q957-W960 VanDerWaalsContact O-N 3.17Å; W960-G962 PolarHBondContact O-N 3.45Å; W960-R990 HydrophobicContact CH2-CB 4.08Å; W960-R990 HydrophobicContact CZ2-CB 4.19Å; W960-R990 HydrophobicContact CZ3-CB 4.44Å; W960-R990 VanDerWaalsContact CZ3-CD 3.45Å; W960-A994 HydrophobicContact CH2-CB 3.72Å; W960-A994 WeakPolarHBondContact CH2-O 3.42Å; W960-A994 HydrophobicContact CZ2-CB 4.43Å; W960-F996 HydrophobicContact CB-CD2 3.8Å; W960-F996 HydrophobicContact CB-CE2 4.08Å; W960-F996 HydrophobicContact CD2-CB 3.71Å; W960-F996 AromaticContact CD2-CD2 3.79Å; W960-F996 HydrophobicContact CD2-CD2 3.79Å; W960-F996 HydrophobicContact CD2-CG 4.14Å; W960-F996 HydrophobicContact CE3-CB 3.79Å; W960-F996 AromaticContact CE3-CD2 3.74Å; W960-F996 HydrophobicContact CE3-CD2 3.74Å; W960-F996 HydrophobicContact CE3-CG 4.26Å; W960-F996 HydrophobicContact CG-CB 4.29Å; W960-F996 AromaticContact CG-CD2 3.8Å; W960-F996 HydrophobicContact CG-CD2 3.8Å; W960-F996 HydrophobicContact CG-CG 4.29Å; W960-F996 HydrophobicContact CH2-CB 4.17Å; W960-F996 HydrophobicContact CZ2-CB 4.12Å; W960-F996 HydrophobicContact CZ3-CB 4Å
961D89.6Confident87.4Confident113 Ų11350 Ų5060%0.60425%0.252SS*.SBendtrans-75.1-4.7177.5-57.7-29000112.1Q957Q957-D961 WeakPolarHBondContact O-CB 3.4Å; Q957-D961 VanDerWaalsContact O-CG 3.28Å; Q957-D961 PolarHBondContact O-N 2.88Å
962G86.2Confident87.2Confident8 Ų848 Ų488%0.08224%0.241CC..SBendtrans-85.3-173.8-17300000114.9Q958 W960 G989Q958-G962 WeakPolarHBondContact O-CA 3.28Å; Q958-G962 PolarHBondContact O-N 3.29Å; W960-G962 PolarHBondContact O-N 3.45Å; G962-G989 PolarHBondContact O-N 3.18Å
963A84.7Confident87.1Confident40 Ų4048 Ų4833%0.33124%0.241SC..EExtended strand (participates in β ladder)trans-90.5131.8175.200000111.7N391 G987 I988N391-A963 PolarHBondContact ND2-O 2.84Å; A963-G987 CarbonylContact C-O 3.16Å; A963-G987 WeakPolarHBondContact CA-O 3.48Å; A963-I988 HydrophobicContact CB-CG1 4.23Å
964Y84.3Confident86.9Confident21 Ų2146.7 Ų46.78%0.08223%0.234CC..EExtended strand (participates in β ladder)trans-103.9148.4175.968.7-97000111.1Y966 L974 H984 Q986 G987 G989 R990Y964-Y966 AromaticContact CD2-CD2 3.57Å; Y964-Y966 HydrophobicContact CD2-CD2 3.57Å; Y964-Y966 AromaticContact CD2-CE2 3.53Å; Y964-Y966 HydrophobicContact CD2-CE2 3.53Å; Y964-Y966 HydrophobicContact CE2-CD2 4.14Å; Y964-Y966 HydrophobicContact CE2-CE2 4.31Å; Y964-Y966 HydrophobicContact CG-CD2 4.47Å; Y964-Y966 HydrophobicContact CG-CE2 4.01Å; Y964-L974 HydrophobicContact CD1-CD1 4.26Å; Y964-L974 HydrophobicContact CD2-CD1 3.92Å; Y964-L974 HydrophobicContact CE1-CD1 3.84Å; Y964-L974 HydrophobicContact CE2-CD1 3.49Å; Y964-L974 VanDerWaalsContact CE2-CD1 3.49Å; Y964-L974 HydrophobicContact CG-CD1 4.29Å; Y964-L974 VanDerWaalsContact CZ-CD1 3.44Å; Y964-H984 WeakPolarHBondContact CE2-O 3.44Å; Y964-H984 PolarHBondContact OH-O 2.73Å; Y964-Q986 WeakPolarHBondContact O-CA 3.39Å; Y964-G987 PolarHBondContact N-O 3.21Å; Y964-G987 PolarHBondContact O-N 2.83Å; Y964-G989 VanDerWaalsContact CE1-O 3.27Å; Y964-G989 WeakPolarHBondContact CE1-O 3.24Å; Y964-R990 HydrophobicContact CD1-CG 4.35Å
965D83.3Confident86.7Confident37 Ų3742.5 Ų42.520%0.19822%0.215CC..EExtended strand (participates in β ladder)trans-142.6103.4175.4-178.69.6000112.3N391 S967 Q986N391-D965 HydrophobicContact CB-CB 3.84Å; N391-D965 VanDerWaalsContact CG-CB 3.43Å; N391-D965 PolarHBondContact OD1-N 3.19Å; N391-D965 VanDerWaalsContact OD1-N 3.14Å; D965-S967 WeakPolarHBondContact OD1-CB 3.38Å; D965-S967 PolarHBondContact OD1-N 3.31Å; D965-S967 PolarHBondContact OD1-OG 2.98Å; D965-S967 PolarHBondContact OD2-OG 3.39Å; D965-Q986 HydrophobicContact CB-CG 3.99Å; D965-Q986 WeakPolarHBondContact OD1-CG 3.45Å; D965-Q986 PolarHBondContact OD1-NE2 3.28Å; D965-Q986 PolarHBondContact OD2-NE2 2.89Å; D965-Q986 VanDerWaalsContact OD2-NE2 3.11Å
966Y84Confident86.2Confident7 Ų742.2 Ų42.23%0.02722%0.215CC..  trans-10216.5172.9-55.2-63.1000112.6D931 Y964 N968 C969 P973 L974 K985 R990D931-Y966 PolarHBondContact OD1-OH 2.96Å; D931-Y966 PolarHBondContact OD2-OH 3.34Å; Y964-Y966 AromaticContact CD2-CD2 3.57Å; Y964-Y966 HydrophobicContact CD2-CD2 3.57Å; Y964-Y966 AromaticContact CD2-CE2 3.53Å; Y964-Y966 HydrophobicContact CD2-CE2 3.53Å; Y964-Y966 HydrophobicContact CE2-CD2 4.14Å; Y964-Y966 HydrophobicContact CE2-CE2 4.31Å; Y964-Y966 HydrophobicContact CG-CD2 4.47Å; Y964-Y966 HydrophobicContact CG-CE2 4.01Å; Y966-N968 PolarHBondContact O-N 3.25Å; Y966-C969 WeakPolarHBondContact O-CB 3.48Å; Y966-C969 PolarHBondContact O-N 3.12Å; Y966-P973 HydrophobicContact CD1-CG 3.63Å; Y966-P973 HydrophobicContact CD2-CG 3.8Å; Y966-P973 HydrophobicContact CE1-CG 3.7Å; Y966-P973 HydrophobicContact CE2-CG 3.88Å; Y966-P973 VanDerWaalsContact CG-CD 3.48Å; Y966-P973 HydrophobicContact CG-CG 3.7Å; Y966-L974 HydrophobicContact CD2-CD1 4.43Å; Y966-L974 HydrophobicContact CE2-CD1 4.01Å; Y966-L974 HydrophobicContact CE2-CG 4.16Å; Y966-K985 PolarHBondContact N-O 3.24Å; Y966-R990 PolarHBondContact OH-NH1 2.96Å
967S76.6Confident85.4Confident56 Ų5643.8 Ų43.839%0.39223%0.226SC..THydrogen-bonded Turntrans-58.9-31.1177.7640000113.2D965 C969 Q986D965-S967 WeakPolarHBondContact OD1-CB 3.38Å; D965-S967 PolarHBondContact OD1-N 3.31Å; D965-S967 PolarHBondContact OD1-OG 2.98Å; D965-S967 PolarHBondContact OD2-OG 3.39Å; S967-C969 VanDerWaalsContact C-N 3.32Å; S967-Q986 PolarHBondContact OG-NE2 2.81Å
968N71.8Confident84.6Confident75 Ų7543 Ų4340%0.40124%0.24SC..THydrogen-bonded Turntrans-81.3-9.7177.7-57.7-80.9000113.2Y966Y966-N968 PolarHBondContact O-N 3.25Å
969C78.3Confident83.4Confident8 Ų838.8 Ų38.85%0.05423%0.231CC..SBendtrans-91.1143.5175.6-57.20000109.6Y966 S967 I971 K985Y966-C969 WeakPolarHBondContact O-CB 3.48Å; Y966-C969 PolarHBondContact O-N 3.12Å; S967-C969 VanDerWaalsContact C-N 3.32Å; C969-I971 VanDerWaalsContact CB-O 3.31Å; C969-I971 WeakPolarHBondContact CB-O 3.47Å; C969-K985 PolarHBondContact O-NZ 3.33Å
970R82.8Confident82.6Confident170 Ų17038.2 Ų38.264%0.64223%0.228SC*.SBendtrans-61-49.1178.4-53.6-179.6-156.9-142.54.7110.7A891 E894 K985A891-R970 HydrophobicContact CB-CB 3.98Å; E894-R970 IonicContact OE1-CZ 2.85Å; E894-R970 IonicContact OE1-NE 3.29Å; E894-R970 PolarHBondContact OE1-NE 3.46Å; E894-R970 IonicContact OE1-NH2 2.85Å; E894-R970 PolarHBondContact OE1-NH2 3.32Å; E894-R970 WeakPolarHBondContact OE2-CD 3.36Å; E894-R970 WeakPolarHBondContact OE2-CG 3.37Å; E894-R970 IonicContact OE2-CZ 3.38Å; E894-R970 IonicContact OE2-NE 3.83Å; E894-R970 PolarHBondContact OE2-NE 3.13Å; E894-R970 IonicContact OE2-NH2 3.75Å; R970-K985 PolarHBondContact O-NZ 3.3Å
971I86.1Confident81.7Confident22 Ų2240.3 Ų40.311%0.11326%0.255CS..SBendtrans-97159.2176.9-160.1160.7000111.1Y888 A891 I892 C969 P976Y888-I971 HydrophobicContact CD2-CD1 3.47Å; Y888-I971 VanDerWaalsContact CD2-CD1 3.47Å; Y888-I971 HydrophobicContact CE2-CD1 3.73Å; A891-I971 HydrophobicContact CB-CB 4.01Å; A891-I971 HydrophobicContact CB-CG2 3.88Å; A891-I971 WeakPolarHBondContact O-CG2 3.42Å; I892-I971 HydrophobicContact CB-CG2 4.28Å; I892-I971 HydrophobicContact CD1-CG2 3.75Å; C969-I971 VanDerWaalsContact CB-O 3.31Å; C969-I971 WeakPolarHBondContact CB-O 3.47Å; I971-P976 HydrophobicContact CD1-CB 3.68Å; I971-P976 WeakPolarHBondContact CD1-O 3.31Å; I971-P976 HydrophobicContact CG1-CB 4.02Å
972N89.3Confident81.3Confident10 Ų1043.4 Ų43.45%0.05327%0.265CS..BIsolated β-bridgetrans-95.6115.9167.7-172.93.7000108.7L974 D975 P976 I983 H984 K985N972-L974 PolarHBondContact O-N 3.44Å; N972-L974 VanDerWaalsContact O-N 3.14Å; N972-L974 PolarHBondContact OD1-N 3.1Å; N972-D975 CarbonylContact O-C 3.59Å; N972-D975 PolarHBondContact O-N 3.26Å; N972-D975 VanDerWaalsContact O-N 3.1Å; N972-D975 VanDerWaalsContact O-O 3.12Å; N972-P976 VanDerWaalsContact O-CA 3.31Å; N972-P976 WeakPolarHBondContact O-CA 3.21Å; N972-P976 VanDerWaalsContact O-N 3.09Å; N972-I983 PolarHBondContact ND2-O 3.42Å; N972-I983 VanDerWaalsContact ND2-O 3.11Å; N972-H984 PolarHBondContact ND2-O 3.48Å; N972-K985 HydrophobicContact CB-CG 3.86Å
973P91.3Very high81.2Confident0 Ų043.9 Ų43.90%027%0.266CS..THydrogen-bonded Turntrans-73.1-2.6-179.233.9-39.1000113.9I892 S895 S934 Y966I892-P973 HydrophobicContact CD1-CB 3.83Å; S895-P973 WeakPolarHBondContact OG-CB 3.18Å; S934-P973 PolarHBondContact N-O 3.19Å; Y966-P973 HydrophobicContact CD1-CG 3.63Å; Y966-P973 HydrophobicContact CD2-CG 3.8Å; Y966-P973 HydrophobicContact CE1-CG 3.7Å; Y966-P973 HydrophobicContact CE2-CG 3.88Å; Y966-P973 VanDerWaalsContact CG-CD 3.48Å; Y966-P973 HydrophobicContact CG-CG 3.7Å
974L91Very high81.2Confident2 Ų247.8 Ų47.81%0.0128%0.277CS..THydrogen-bonded Turntrans-93.7-21.6168.4-67.5172.4000113.6G933 Y964 Y966 N972 I983 P991 W993G933-L974 WeakPolarHBondContact O-CD2 3.28Å; Y964-L974 HydrophobicContact CD1-CD1 4.26Å; Y964-L974 HydrophobicContact CD2-CD1 3.92Å; Y964-L974 HydrophobicContact CE1-CD1 3.84Å; Y964-L974 HydrophobicContact CE2-CD1 3.49Å; Y964-L974 VanDerWaalsContact CE2-CD1 3.49Å; Y964-L974 HydrophobicContact CG-CD1 4.29Å; Y964-L974 VanDerWaalsContact CZ-CD1 3.44Å; Y966-L974 HydrophobicContact CD2-CD1 4.43Å; Y966-L974 HydrophobicContact CE2-CD1 4.01Å; Y966-L974 HydrophobicContact CE2-CG 4.16Å; N972-L974 PolarHBondContact O-N 3.44Å; N972-L974 VanDerWaalsContact O-N 3.14Å; N972-L974 PolarHBondContact OD1-N 3.1Å; L974-I983 HydrophobicContact CB-CG2 3.48Å; L974-I983 VanDerWaalsContact CB-CG2 3.48Å; L974-P991 HydrophobicContact CD2-CG 4.49Å; L974-W993 WeakPolarHBondContact O-CH2 3.22Å; L974-W993 WeakPolarHBondContact O-CZ2 3.41Å
975D88.1Confident81.2Confident16 Ų1650.3 Ų50.39%0.08629%0.288CS..BIsolated β-bridgetrans-146.984.3171.7172.115.9000108.3N972 S977 G978 G979 S980 I983N972-D975 CarbonylContact O-C 3.59Å; N972-D975 PolarHBondContact O-N 3.26Å; N972-D975 VanDerWaalsContact O-N 3.1Å; N972-D975 VanDerWaalsContact O-O 3.12Å; D975-S977 PolarHBondContact O-N 3.47Å; D975-S977 PolarHBondContact OD1-N 2.93Å; D975-S977 PolarHBondContact OD1-OG 3.21Å; D975-G978 PolarHBondContact O-N 3.44Å; D975-G978 PolarHBondContact OD1-N 3.11Å; D975-G978 VanDerWaalsContact OD2-CA 3.24Å; D975-G978 WeakPolarHBondContact OD2-CA 3.49Å; D975-G979 PolarHBondContact OD1-N 3.26Å; D975-G979 VanDerWaalsContact OD1-N 3.14Å; D975-G979 PolarHBondContact OD2-N 3.24Å; D975-S980 PolarHBondContact OD2-N 2.57Å; D975-I983 HydrophobicContact CB-CB 4.01Å; D975-I983 HydrophobicContact CB-CD1 4.46Å; D975-I983 HydrophobicContact CB-CG2 3.9Å
976P84.2Confident81.4Confident21 Ų2153.6 Ų53.614%0.13630%0.303CS..THydrogen-bonded Turntrans-69.9-25.9-174.7-17.631.4000112.6V792 Y888 I892 I971 N972V792-P976 HydrophobicContact CG1-CG 4.47Å; Y888-P976 HydrophobicContact CE2-CB 3.87Å; I892-P976 HydrophobicContact CD1-CG 4.48Å; I971-P976 HydrophobicContact CD1-CB 3.68Å; I971-P976 WeakPolarHBondContact CD1-O 3.31Å; I971-P976 HydrophobicContact CG1-CB 4.02Å; N972-P976 VanDerWaalsContact O-CA 3.31Å; N972-P976 WeakPolarHBondContact O-CA 3.21Å; N972-P976 VanDerWaalsContact O-N 3.09Å
977S76.7Confident81.4Confident33 Ų3354.4 Ų54.423%0.23131%0.313CS..THydrogen-bonded Turntrans-79.3-16.8179.974.70000114.2K877 D975 G979K877-S977 PolarHBondContact NZ-O 3.38Å; D975-S977 PolarHBondContact O-N 3.47Å; D975-S977 PolarHBondContact OD1-N 2.93Å; D975-S977 PolarHBondContact OD1-OG 3.21Å; S977-G979 VanDerWaalsContact C-N 3.27Å; S977-G979 PolarHBondContact O-N 3.21Å; S977-G979 PolarHBondContact OG-N 3.47Å
978G73.6Confident81.8Confident64 Ų6459 Ų5966%0.6633%0.332SS*.SBendtrans64.627.7-171.600000113.7D975D975-G978 PolarHBondContact O-N 3.44Å; D975-G978 PolarHBondContact OD1-N 3.11Å; D975-G978 VanDerWaalsContact OD2-CA 3.24Å; D975-G978 WeakPolarHBondContact OD2-CA 3.49Å
979G67Low82.2Confident41 Ų4156.7 Ų56.742%0.42333%0.326SS..  trans-90.2-28.9-176.200000114.9D975 S977 A981D975-G979 PolarHBondContact OD1-N 3.26Å; D975-G979 VanDerWaalsContact OD1-N 3.14Å; D975-G979 PolarHBondContact OD2-N 3.24Å; S977-G979 VanDerWaalsContact C-N 3.27Å; S977-G979 PolarHBondContact O-N 3.21Å; S977-G979 PolarHBondContact OG-N 3.47Å; G979-A981 PolarHBondContact O-N 2.93Å
980S74.1Confident82.7Confident14 Ų1457.5 Ų57.510%0.09833%0.328CS..  trans-94.496.8-172.7-74.70000111.3E793 H797 D975 H982 I983E793-S980 PolarHBondContact OE2-OG 2.91Å; H797-S980 PolarHBondContact CE1-OG 2.68Å; H797-S980 VanDerWaalsContact CE1-OG 3.31Å; D975-S980 PolarHBondContact OD2-N 2.57Å; S980-H982 PolarHBondContact O-N 3.17Å; S980-I983 PolarHBondContact O-N 3.37Å
981A72.8Confident83Confident89 Ų8950.8 Ų50.874%0.73631%0.306SS*.THydrogen-bonded Turntrans-57.9-5.7177.200000115.5G979G979-A981 PolarHBondContact O-N 2.93Å
982H81.7Confident83.1Confident177 Ų17757.2 Ų57.282%0.81934%0.341SS*.THydrogen-bonded Turntrans-101.2-12.3174.8-58.1-41.2000113.9S980 H984S980-H982 PolarHBondContact O-N 3.17Å; H982-H984 PolarHBondContact O-N 2.85Å
983I84.1Confident83.2Confident18 Ų1857.6 Ų57.69%0.09234%0.341CS..  trans-100.781.2-177-56.5-176.6000109.3E793 N972 L974 D975 S980 P991 W993E793-I983 WeakPolarHBondContact OE2-CD1 3.31Å; N972-I983 PolarHBondContact ND2-O 3.42Å; N972-I983 VanDerWaalsContact ND2-O 3.11Å; L974-I983 HydrophobicContact CB-CG2 3.48Å; L974-I983 VanDerWaalsContact CB-CG2 3.48Å; D975-I983 HydrophobicContact CB-CB 4.01Å; D975-I983 HydrophobicContact CB-CD1 4.46Å; D975-I983 HydrophobicContact CB-CG2 3.9Å; S980-I983 PolarHBondContact O-N 3.37Å; I983-P991 HydrophobicContact CD1-CG 4.48Å; I983-W993 HydrophobicContact CD1-CZ2 3.93Å
984H85Confident83.3Confident123 Ų12357.9 Ų57.957%0.56934%0.344SS*.  trans-66160.1177.4-58.3169.5000111.7Y964 N972 H982 Q986Y964-H984 WeakPolarHBondContact CE2-O 3.44Å; Y964-H984 PolarHBondContact OH-O 2.73Å; N972-H984 PolarHBondContact ND2-O 3.48Å; H982-H984 PolarHBondContact O-N 2.85Å; H984-Q986 WeakPolarHBondContact CB-O 3.39Å; H984-Q986 PolarHBondContact O-N 2.8Å
985K83.7Confident83.4Confident73 Ų7358.1 Ų58.132%0.31735%0.345SS..SBendtrans-69.4-12.8170.2-79.1-172.3172.7-168.40113.8Y966 C969 R970 N972Y966-K985 PolarHBondContact N-O 3.24Å; C969-K985 PolarHBondContact O-NZ 3.33Å; R970-K985 PolarHBondContact O-NZ 3.3Å; N972-K985 HydrophobicContact CB-CG 3.86Å
986Q87.4Confident83.7Confident107 Ų10759.6 Ų59.650%0.535%0.351SS..EExtended strand (participates in β ladder)trans-133.9134.4178.5-75.6176.4-8.300109.7Y964 D965 S967 H984Y964-Q986 WeakPolarHBondContact O-CA 3.39Å; D965-Q986 HydrophobicContact CB-CG 3.99Å; D965-Q986 WeakPolarHBondContact OD1-CG 3.45Å; D965-Q986 PolarHBondContact OD1-NE2 3.28Å; D965-Q986 PolarHBondContact OD2-NE2 2.89Å; D965-Q986 VanDerWaalsContact OD2-NE2 3.11Å; S967-Q986 PolarHBondContact OG-NE2 2.81Å; H984-Q986 WeakPolarHBondContact CB-O 3.39Å; H984-Q986 PolarHBondContact O-N 2.8Å
987G84.6Confident84Confident24 Ų2458.6 Ų58.625%0.24734%0.344CS..EExtended strand (participates in β ladder)trans-165.6178.2-178.900000113.6A963 Y964A963-G987 CarbonylContact C-O 3.16Å; A963-G987 WeakPolarHBondContact CA-O 3.48Å; Y964-G987 PolarHBondContact N-O 3.21Å; Y964-G987 PolarHBondContact O-N 2.83Å
988I84.1Confident84.7Confident152 Ų15262.2 Ų62.278%0.77935%0.353SS*.EExtended strand (participates in β ladder)trans-123.9118.3178.8-54.9176.3000107.9A963A963-I988 HydrophobicContact CB-CG1 4.23Å
989G80Confident85.6Confident27 Ų2759.1 Ų59.128%0.27832%0.321SS..SBendtrans71.7150.4-165.100000112.1G962 Y964G962-G989 PolarHBondContact O-N 3.18Å; Y964-G989 VanDerWaalsContact CE1-O 3.27Å; Y964-G989 WeakPolarHBondContact CE1-O 3.24Å
990R88.8Confident86.8Confident25 Ų2560 Ų609%0.09431%0.314CS..  trans-90.2159.8177.2-68.3167.3-162.9-113.6-5.1110.8D931 G933 W960 Y964 Y966 A994D931-R990 VanDerWaalsContact CG-NH2 3.31Å; D931-R990 IonicContact OD1-CZ 3.85Å; D931-R990 IonicContact OD1-NH1 2.77Å; D931-R990 PolarHBondContact OD1-NH1 3.1Å; D931-R990 IonicContact OD1-NH2 3.53Å; D931-R990 PolarHBondContact OD1-NH2 2.72Å; D931-R990 IonicContact OD2-CZ 3.88Å; D931-R990 IonicContact OD2-NH1 3.17Å; D931-R990 IonicContact OD2-NH2 2.98Å; D931-R990 PolarHBondContact OD2-NH2 2.66Å; G933-R990 PolarHBondContact O-NH1 3.02Å; W960-R990 HydrophobicContact CH2-CB 4.08Å; W960-R990 HydrophobicContact CZ2-CB 4.19Å; W960-R990 HydrophobicContact CZ3-CB 4.44Å; W960-R990 VanDerWaalsContact CZ3-CD 3.45Å; Y964-R990 HydrophobicContact CD1-CG 4.35Å; Y966-R990 PolarHBondContact OH-NH1 2.96Å; R990-A994 HydrophobicContact CB-CB 4.1Å
991P89.7Confident87.5Confident28 Ų2861 Ų6118%0.18232%0.318CS..  trans-55.6147.7176.8-24.834.7000112.6L974 I983 W993 A994L974-P991 HydrophobicContact CD2-CG 4.49Å; I983-P991 HydrophobicContact CD1-CG 4.48Å; P991-W993 HydrophobicContact CB-CD2 4.29Å; P991-W993 HydrophobicContact CB-CG 4.24Å; P991-W993 HydrophobicContact CB-CZ2 4.37Å; P991-W993 HydrophobicContact CG-CZ2 4.31Å; P991-W993 PolarHBondContact O-N 3.1Å; P991-A994 VanDerWaalsContact O-CB 3.25Å; P991-A994 WeakPolarHBondContact O-CB 3.41Å; P991-A994 PolarHBondContact O-N 3.3Å
992D88.5Confident88Confident157 Ų15764.4 Ų64.484%0.8432%0.318SS*.THydrogen-bonded Turntrans-57.8-23-176.8-76.3-12.3000114.2H774H774-D992 PolarHBondContact NE2-O 3.24Å
993W91.8Very high88.2Confident18 Ų1859.4 Ų59.47%0.06830%0.298CS..THydrogen-bonded Turntrans-82.2-15.5177.260.2-104.1000114.1M791 E793 P794 L974 I983 P991M791-W993 HydrophobicContact CG-CE3 4.21Å; M791-W993 HydrophobicContact CG-CZ3 4.11Å; M791-W993 HydrophobicContact SD-CE3 4.37Å; E793-W993 HydrophobicContact CB-CD2 4.25Å; E793-W993 HydrophobicContact CB-CZ2 3.79Å; E793-W993 HydrophobicContact CG-CG 4.48Å; E793-W993 PolarHBondContact OE1-NE1 2.81Å; E793-W993 VanDerWaalsContact OE1-NE1 3.09Å; P794-W993 HydrophobicContact CG-CB 4.33Å; L974-W993 WeakPolarHBondContact O-CH2 3.22Å; L974-W993 WeakPolarHBondContact O-CZ2 3.41Å; I983-W993 HydrophobicContact CD1-CZ2 3.93Å; P991-W993 HydrophobicContact CB-CD2 4.29Å; P991-W993 HydrophobicContact CB-CG 4.24Å; P991-W993 HydrophobicContact CB-CZ2 4.37Å; P991-W993 HydrophobicContact CG-CZ2 4.31Å; P991-W993 PolarHBondContact O-N 3.1Å
994A92.4Very high88.5Confident7 Ų759.6 Ų59.66%0.05830%0.298CS..SBendtrans-71.4153.4-179.300000111.7S934 W960 R990 P991S934-A994 CarbonylContact O-C 3.53Å; S934-A994 WeakPolarHBondContact O-CA 3.09Å; S934-A994 WeakPolarHBondContact O-CB 2.88Å; W960-A994 HydrophobicContact CH2-CB 3.72Å; W960-A994 WeakPolarHBondContact CH2-O 3.42Å; W960-A994 HydrophobicContact CZ2-CB 4.43Å; R990-A994 HydrophobicContact CB-CB 4.1Å; P991-A994 VanDerWaalsContact O-CB 3.25Å; P991-A994 WeakPolarHBondContact O-CB 3.41Å; P991-A994 PolarHBondContact O-N 3.3Å
995L92.9Very high88.8Confident6 Ų653.8 Ų53.83%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-107110.4-169.1-178.163000114.1P772 M791 S934 E935 L936 Y937 G997P772-L995 HydrophobicContact CB-CD1 3.98Å; P772-L995 HydrophobicContact CB-CD2 3.91Å; P772-L995 HydrophobicContact CB-CG 4.18Å; M791-L995 HydrophobicContact CE-CB 3.55Å; M791-L995 HydrophobicContact CE-CD2 3.67Å; M791-L995 HydrophobicContact CE-CG 4.22Å; M791-L995 HydrophobicContact SD-CB 4.05Å; S934-L995 PolarHBondContact O-N 3.18Å; E935-L995 WeakPolarHBondContact CA-O 3.5Å; E935-L995 HydrophobicContact CB-CB 4.41Å; E935-L995 HydrophobicContact CG-CB 4.39Å; L936-L995 PolarHBondContact N-O 2.81Å; Y937-L995 HydrophobicContact CE1-CD2 4.12Å; L995-G997 PolarHBondContact O-N 2.69Å
996F93.7Very high89.2Confident48 Ų4850.6 Ų50.621%0.21126%0.258CS..EExtended strand (participates in β ladder)trans-82.2103.9160.8-173.9-100000110.6L936 L953 A956 Q957 W960 R998L936-F996 HydrophobicContact CD2-CD2 3.61Å; L936-F996 HydrophobicContact CD2-CE2 3.55Å; L953-F996 HydrophobicContact CD1-CE1 4.1Å; L953-F996 HydrophobicContact CD1-CZ 4.12Å; A956-F996 HydrophobicContact CB-CE2 4.01Å; A956-F996 HydrophobicContact CB-CZ 3.95Å; Q957-F996 HydrophobicContact CG-CZ 4.21Å; W960-F996 HydrophobicContact CB-CD2 3.8Å; W960-F996 HydrophobicContact CB-CE2 4.08Å; W960-F996 HydrophobicContact CD2-CB 3.71Å; W960-F996 AromaticContact CD2-CD2 3.79Å; W960-F996 HydrophobicContact CD2-CD2 3.79Å; W960-F996 HydrophobicContact CD2-CG 4.14Å; W960-F996 HydrophobicContact CE3-CB 3.79Å; W960-F996 AromaticContact CE3-CD2 3.74Å; W960-F996 HydrophobicContact CE3-CD2 3.74Å; W960-F996 HydrophobicContact CE3-CG 4.26Å; W960-F996 HydrophobicContact CG-CB 4.29Å; W960-F996 AromaticContact CG-CD2 3.8Å; W960-F996 HydrophobicContact CG-CD2 3.8Å; W960-F996 HydrophobicContact CG-CG 4.29Å; W960-F996 HydrophobicContact CH2-CB 4.17Å; W960-F996 HydrophobicContact CZ2-CB 4.12Å; W960-F996 HydrophobicContact CZ3-CB 4Å; F996-R998 HydrophobicContact CE1-CG 4.21Å
997G90.5Very high89.6Confident0 Ų045.5 Ų45.50%023%0.234CC..EExtended strand (participates in β ladder)trans-99.2142.6-179.900000113.7P772 L936 Y937 L938 L995P772-G997 VanDerWaalsContact CG-CA 3.5Å; L936-G997 PolarHBondContact O-N 3.43Å; Y937-G997 WeakPolarHBondContact CA-O 3.41Å; L938-G997 PolarHBondContact N-O 2.78Å; L995-G997 PolarHBondContact O-N 2.69Å
998R93Very high90Very high108 Ų10844.4 Ų44.441%0.40822%0.222SC..EExtended strand (participates in β ladder)trans-110.3130.8158.3-58.2-176.9-157.3172.63.4108.4P772 L938 L953 F996P772-R998 WeakPolarHBondContact CD-O 3.4Å; P772-R998 WeakPolarHBondContact CG-O 3.43Å; L938-R998 WeakPolarHBondContact O-CA 3.28Å; L953-R998 VanDerWaalsContact CD1-CZ 3.44Å; L953-R998 VanDerWaalsContact CD1-NE 3.35Å; L953-R998 VanDerWaalsContact CD2-CZ 3.49Å; F996-R998 HydrophobicContact CE1-CG 4.21Å
999V92.2Very high90.4Very high0 Ų040.2 Ų40.20%020%0.199CC..EExtended strand (participates in β ladder)trans-128.9148.6-176.4-168.70000108.1P772 Y937 L938 W939 H940 E1004 F1008P772-V999 HydrophobicContact CG-CG2 4.29Å; Y937-V999 HydrophobicContact CD1-CG2 3.6Å; Y937-V999 HydrophobicContact CE1-CG2 4.38Å; Y937-V999 HydrophobicContact CG-CG2 4.3Å; L938-V999 PolarHBondContact O-N 3.04Å; W939-V999 WeakPolarHBondContact CA-O 3.17Å; W939-V999 HydrophobicContact CB-CB 4.48Å; H940-V999 PolarHBondContact N-O 2.92Å; V999-E1004 HydrophobicContact CG1-CB 4.17Å; V999-E1004 HydrophobicContact CG1-CG 3.82Å; V999-F1008 HydrophobicContact CG1-CD1 4.23Å; V999-F1008 HydrophobicContact CG1-CE1 4.35Å; V999-F1008 HydrophobicContact CG2-CD2 4.38Å; V999-F1008 HydrophobicContact CG2-CG 4.45Å
1000F92.1Very high91Very high59 Ų5939.7 Ų39.726%0.25919%0.189SC..EExtended strand (participates in β ladder)trans-127.7147.5176.4-62.7-91.3000108.6T770 H940 Q1002 N1003T770-F1000 HydrophobicContact CG2-CD2 4.5Å; T770-F1000 HydrophobicContact CG2-CE2 4.19Å; H940-F1000 HydrophobicContact CB-CD1 3.78Å; H940-F1000 HydrophobicContact CB-CE1 4.02Å; H940-F1000 AromaticContact CD2-CE1 3.52Å; H940-F1000 AromaticContact CD2-CZ 3.93Å; H940-F1000 WeakPolarHBondContact O-CA 3.26Å; F1000-Q1002 PolarHBondContact O-N 3.06Å; F1000-N1003 HydrophobicContact CB-CB 4.45Å; F1000-N1003 CarbonylContact O-C 3.56Å; F1000-N1003 WeakPolarHBondContact O-CA 3.16Å; F1000-N1003 PolarHBondContact O-N 2.61Å
1001D88.8Confident91.2Very high34 Ų3438.7 Ų38.718%0.18219%0.185CC..THydrogen-bonded Turntrans-40.5121.3166.1-171.3-14.9000110.3W939 H940 K942 N1003 E1004W939-D1001 HydrophobicContact CH2-CB 4.46Å; W939-D1001 HydrophobicContact CZ2-CB 3.78Å; H940-D1001 PolarHBondContact O-N 3.04Å; K942-D1001 HydrophobicContact CB-CB 4.01Å; K942-D1001 WeakPolarHBondContact CB-OD2 3.17Å; K942-D1001 VanDerWaalsContact CD-OD2 3.23Å; K942-D1001 WeakPolarHBondContact CD-OD2 3.16Å; K942-D1001 WeakPolarHBondContact CG-OD2 3.13Å; K942-D1001 PolarHBondContact N-OD2 2.9Å; K942-D1001 IonicContact NZ-OD2 2.65Å; D1001-N1003 VanDerWaalsContact C-N 3.33Å; D1001-N1003 PolarHBondContact O-N 3.07Å; D1001-E1004 VanDerWaalsContact CA-OE1 3.26Å; D1001-E1004 WeakPolarHBondContact CA-OE1 3.14Å
1002Q82.8Confident91.3Very high161 Ų16137.7 Ų37.775%0.75218%0.178SC*.THydrogen-bonded Turntrans75.93.2-177-42-174.5-18.500116.4F1000 E1004F1000-Q1002 PolarHBondContact O-N 3.06Å; Q1002-E1004 VanDerWaalsContact C-OE2 3.32Å; Q1002-E1004 WeakPolarHBondContact CA-OE2 3.47Å; Q1002-E1004 PolarHBondContact N-OE1 3.35Å; Q1002-E1004 PolarHBondContact N-OE2 2.77Å
1003N87.1Confident91Very high72 Ų7232.3 Ų32.339%0.38516%0.155SC..  trans-127.937.5174.7-162102000111F1000 D1001F1000-N1003 HydrophobicContact CB-CB 4.45Å; F1000-N1003 CarbonylContact O-C 3.56Å; F1000-N1003 WeakPolarHBondContact O-CA 3.16Å; F1000-N1003 PolarHBondContact O-N 2.61Å; D1001-N1003 VanDerWaalsContact C-N 3.33Å; D1001-N1003 PolarHBondContact O-N 3.07Å
1004E89.6Confident89.6Confident22 Ų2234.5 Ų34.510%0.10317%0.169CC..  trans-73.2132.6171.9-66.578-169.700112.4W939 V999 D1001 Q1002 F1008 K1009W939-E1004 PolarHBondContact NE1-OE1 3.05Å; V999-E1004 HydrophobicContact CG1-CB 4.17Å; V999-E1004 HydrophobicContact CG1-CG 3.82Å; D1001-E1004 VanDerWaalsContact CA-OE1 3.26Å; D1001-E1004 WeakPolarHBondContact CA-OE1 3.14Å; Q1002-E1004 VanDerWaalsContact C-OE2 3.32Å; Q1002-E1004 WeakPolarHBondContact CA-OE2 3.47Å; Q1002-E1004 PolarHBondContact N-OE1 3.35Å; Q1002-E1004 PolarHBondContact N-OE2 2.77Å; E1004-F1008 HydrophobicContact CB-CD1 3.85Å; E1004-F1008 HydrophobicContact CB-CE1 4.45Å; E1004-F1008 HydrophobicContact CG-CD1 3.6Å; E1004-F1008 HydrophobicContact CG-CE1 3.7Å; E1004-K1009 HydrophobicContact CB-CD 4.44Å; E1004-K1009 HydrophobicContact CB-CG 4.06Å; E1004-K1009 WeakPolarHBondContact O-CE 3Å; E1004-K1009 PolarHBondContact O-NZ 3.43Å
1005T92.1Very high87.5Confident2 Ų235.8 Ų35.81%0.01218%0.177CC..  trans-73.3158.9172630000111.8V771 D841 L842 L1007 F1008 K1009V771-T1005 HydrophobicContact CG1-CG2 3.43Å; V771-T1005 VanDerWaalsContact CG1-CG2 3.43Å; D841-T1005 WeakPolarHBondContact OD1-CG2 3.39Å; D841-T1005 WeakPolarHBondContact OD2-CA 3.47Å; D841-T1005 WeakPolarHBondContact OD2-CB 3.48Å; L842-T1005 HydrophobicContact CD2-CG2 3.97Å; T1005-L1007 VanDerWaalsContact C-N 3.34Å; T1005-L1007 PolarHBondContact O-N 3.06Å; T1005-F1008 PolarHBondContact O-N 2.85Å; T1005-F1008 VanDerWaalsContact O-N 3.15Å; T1005-F1008 WeakPolarHBondContact OG1-CB 3.4Å; T1005-F1008 PolarHBondContact OG1-N 3.13Å; T1005-F1008 VanDerWaalsContact OG1-N 3.12Å; T1005-K1009 WeakPolarHBondContact O-CG 3.22Å; T1005-K1009 PolarHBondContact O-N 3.26Å
1006I92.3Very high84.8Confident5 Ų537 Ų373%0.02618%0.182CC..Hα-helixtrans-51-52.5167.9-169.766000110.7M832 L835 I836 D841 L842 F1008 K1009 E1010 F1016M832-I1006 HydrophobicContact CE-CG1 4.11Å; M832-I1006 HydrophobicContact CE-CG2 4.49Å; M832-I1006 HydrophobicContact CG-CG1 4.17Å; L835-I1006 HydrophobicContact CB-CD1 4.1Å; L835-I1006 HydrophobicContact CB-CG1 4.47Å; L835-I1006 HydrophobicContact CD1-CD1 3.62Å; I836-I1006 HydrophobicContact CD1-CG2 4.29Å; I836-I1006 HydrophobicContact CG1-CG2 3.65Å; D841-I1006 VanDerWaalsContact OD2-CG2 3.28Å; D841-I1006 WeakPolarHBondContact OD2-CG2 3.21Å; D841-I1006 PolarHBondContact OD2-N 3.14Å; L842-I1006 HydrophobicContact CD1-CG2 3.88Å; L842-I1006 HydrophobicContact CG-CG2 4.03Å; I1006-F1008 PolarHBondContact O-N 2.95Å; I1006-F1008 VanDerWaalsContact O-N 3.12Å; I1006-K1009 PolarHBondContact O-N 2.89Å; I1006-E1010 HydrophobicContact CD1-CG 4.48Å; I1006-E1010 HydrophobicContact CG1-CG 4.4Å; I1006-E1010 VanDerWaalsContact O-CG 3.26Å; I1006-E1010 WeakPolarHBondContact O-CG 3.45Å; I1006-E1010 PolarHBondContact O-N 3.19Å; I1006-F1016 HydrophobicContact CD1-CE2 4.46Å; I1006-F1016 HydrophobicContact CD1-CZ 3.7Å
1007L94Very high82.1Confident0 Ų038.3 Ų38.30%019%0.189CC..Hα-helixtrans-62.2-23.9180-175.459.2000113.4M777 I779 V789 M791 L842 E935 Y937 T1005 K1011M777-L1007 HydrophobicContact CE-CD2 4.02Å; I779-L1007 HydrophobicContact CD1-CD1 4.32Å; I779-L1007 HydrophobicContact CD1-CD2 4.14Å; I779-L1007 HydrophobicContact CG1-CD2 4.46Å; I779-L1007 HydrophobicContact CG2-CD1 3.82Å; V789-L1007 HydrophobicContact CG1-CD1 3.6Å; M791-L1007 HydrophobicContact CE-CD2 3.68Å; L842-L1007 HydrophobicContact CD1-CB 4.17Å; L842-L1007 HydrophobicContact CD2-CB 4.09Å; E935-L1007 HydrophobicContact CG-CD2 4.39Å; Y937-L1007 WeakPolarHBondContact OH-CG 3.49Å; T1005-L1007 VanDerWaalsContact C-N 3.34Å; T1005-L1007 PolarHBondContact O-N 3.06Å; L1007-K1011 WeakPolarHBondContact O-CE 3.2Å; L1007-K1011 WeakPolarHBondContact O-CG 3.41Å
1008F94.5Very high79.3Confident1 Ų147.3 Ų47.30%0.00423%0.231CC..Hα-helixtrans-81.8-42.1170.7-179.2-101.3000112.1L922 F930 Y937 W939 V999 E1004 T1005 I1006 E1010 K1011 F1012L922-F1008 HydrophobicContact CD1-CE1 4.19Å; L922-F1008 HydrophobicContact CD2-CE1 4.47Å; L922-F1008 HydrophobicContact CD2-CZ 4.3Å; F930-F1008 AromaticContact CD2-CE2 3.83Å; F930-F1008 HydrophobicContact CD2-CE2 3.83Å; F930-F1008 HydrophobicContact CD2-CZ 4.04Å; F930-F1008 HydrophobicContact CE2-CE2 4.12Å; F930-F1008 AromaticContact CE2-CZ 3.84Å; F930-F1008 HydrophobicContact CE2-CZ 3.84Å; F930-F1008 HydrophobicContact CG-CE2 4.15Å; F930-F1008 HydrophobicContact CZ-CZ 4.25Å; Y937-F1008 HydrophobicContact CD1-CD2 4.03Å; Y937-F1008 AromaticContact CD2-CD2 3.66Å; Y937-F1008 HydrophobicContact CD2-CD2 3.66Å; Y937-F1008 HydrophobicContact CD2-CE2 4.28Å; Y937-F1008 HydrophobicContact CE1-CB 4.4Å; Y937-F1008 HydrophobicContact CE1-CD2 4.5Å; Y937-F1008 HydrophobicContact CE2-CD2 4.14Å; Y937-F1008 AromaticContact CG-CD2 3.57Å; Y937-F1008 HydrophobicContact CG-CD2 3.57Å; Y937-F1008 HydrophobicContact CG-CE2 4.07Å; W939-F1008 HydrophobicContact CB-CZ 4.13Å; W939-F1008 AromaticContact CD1-CE1 3.78Å; W939-F1008 AromaticContact CD1-CZ 3.81Å; W939-F1008 HydrophobicContact CG-CZ 4.17Å; V999-F1008 HydrophobicContact CG1-CD1 4.23Å; V999-F1008 HydrophobicContact CG1-CE1 4.35Å; V999-F1008 HydrophobicContact CG2-CD2 4.38Å; V999-F1008 HydrophobicContact CG2-CG 4.45Å; E1004-F1008 HydrophobicContact CB-CD1 3.85Å; E1004-F1008 HydrophobicContact CB-CE1 4.45Å; E1004-F1008 HydrophobicContact CG-CD1 3.6Å; E1004-F1008 HydrophobicContact CG-CE1 3.7Å; T1005-F1008 PolarHBondContact O-N 2.85Å; T1005-F1008 VanDerWaalsContact O-N 3.15Å; T1005-F1008 WeakPolarHBondContact OG1-CB 3.4Å; T1005-F1008 PolarHBondContact OG1-N 3.13Å; T1005-F1008 VanDerWaalsContact OG1-N 3.12Å; I1006-F1008 PolarHBondContact O-N 2.95Å; I1006-F1008 VanDerWaalsContact O-N 3.12Å; F1008-E1010 VanDerWaalsContact C-N 3.34Å; F1008-E1010 PolarHBondContact O-N 2.74Å; F1008-K1011 WeakPolarHBondContact O-CB 3.46Å; F1008-K1011 WeakPolarHBondContact O-CG 3.49Å; F1008-K1011 PolarHBondContact O-N 3.02Å; F1008-F1012 AromaticContact CD1-CE2 3.85Å; F1008-F1012 HydrophobicContact CD1-CE2 3.85Å; F1008-F1012 HydrophobicContact CD2-CE2 4.43Å; F1008-F1012 AromaticContact CE1-CE2 3.52Å; F1008-F1012 HydrophobicContact CE1-CE2 3.52Å; F1008-F1012 AromaticContact CE1-CZ 3.81Å; F1008-F1012 HydrophobicContact CE1-CZ 3.81Å; F1008-F1012 HydrophobicContact CE2-CE2 4.13Å; F1008-F1012 HydrophobicContact CE2-CZ 4.28Å; F1008-F1012 HydrophobicContact CG-CE2 4.32Å; F1008-F1012 AromaticContact CZ-CE2 3.68Å; F1008-F1012 HydrophobicContact CZ-CE2 3.68Å; F1008-F1012 AromaticContact CZ-CZ 3.65Å; F1008-F1012 HydrophobicContact CZ-CZ 3.65Å; F1008-F1012 VanDerWaalsContact O-CD2 3.25Å; F1008-F1012 WeakPolarHBondContact O-CD2 3.5Å; F1008-F1012 VanDerWaalsContact O-CE2 3.3Å; F1008-F1012 WeakPolarHBondContact O-CE2 3.46Å
1009K92.6Very high76.5Confident64 Ų6446.3 Ų46.328%0.27824%0.237SC..Hα-helixtrans-60-41.8178.1-72.8164.4-178.5156.40112.2E1004 T1005 I1006 K1011 F1012 S1015E1004-K1009 HydrophobicContact CB-CD 4.44Å; E1004-K1009 HydrophobicContact CB-CG 4.06Å; E1004-K1009 WeakPolarHBondContact O-CE 3Å; E1004-K1009 PolarHBondContact O-NZ 3.43Å; T1005-K1009 WeakPolarHBondContact O-CG 3.22Å; T1005-K1009 PolarHBondContact O-N 3.26Å; I1006-K1009 PolarHBondContact O-N 2.89Å; K1009-K1011 PolarHBondContact O-N 3.49Å; K1009-F1012 PolarHBondContact O-N 3.28Å; K1009-S1015 WeakPolarHBondContact O-CB 3.19Å; K1009-S1015 PolarHBondContact O-OG 3.45Å
1010E92.6Very high73.6Confident16 Ų1650 Ų508%0.07526%0.262CS..THydrogen-bonded Turntrans-65.7-4.3179-60-70.8-16700114.1V789 K828 M832 I1006 F1008 F1012 F1016V789-E1010 HydrophobicContact CB-CB 3.95Å; V789-E1010 HydrophobicContact CG1-CB 4.41Å; V789-E1010 HydrophobicContact CG2-CB 3.79Å; V789-E1010 HydrophobicContact CG2-CG 4.23Å; K828-E1010 VanDerWaalsContact CE-CD 3.46Å; K828-E1010 VanDerWaalsContact CE-OE1 3.26Å; K828-E1010 WeakPolarHBondContact CE-OE1 3.47Å; K828-E1010 WeakPolarHBondContact CE-OE2 3.44Å; K828-E1010 IonicContact NZ-OE1 3.43Å; K828-E1010 PolarHBondContact NZ-OE1 2.71Å; K828-E1010 IonicContact NZ-OE2 3.64Å; K828-E1010 PolarHBondContact NZ-OE2 2.83Å; M832-E1010 HydrophobicContact CE-CG 4.03Å; M832-E1010 HydrophobicContact CG-CG 4.14Å; M832-E1010 WeakPolarHBondContact CG-OE1 3.07Å; M832-E1010 HydrophobicContact SD-CG 3.87Å; I1006-E1010 HydrophobicContact CD1-CG 4.48Å; I1006-E1010 HydrophobicContact CG1-CG 4.4Å; I1006-E1010 VanDerWaalsContact O-CG 3.26Å; I1006-E1010 WeakPolarHBondContact O-CG 3.45Å; I1006-E1010 PolarHBondContact O-N 3.19Å; F1008-E1010 VanDerWaalsContact C-N 3.34Å; F1008-E1010 PolarHBondContact O-N 2.74Å; E1010-F1012 VanDerWaalsContact C-N 3.33Å; E1010-F1016 HydrophobicContact CG-CE2 4.37Å; E1010-F1016 WeakPolarHBondContact OE1-CE2 3.22Å; E1010-F1016 WeakPolarHBondContact OE1-CZ 3.46Å; E1010-F1016 WeakPolarHBondContact OE2-CE2 3.31Å
1011K92.7Very high70.7Confident4 Ų453.8 Ų53.82%0.01728%0.283CS..THydrogen-bonded Turntrans-83-10171.8-49.6-67.8169.7169.60112.9V789 V916 P917 F932 E935 L1007 F1008 K1009V789-K1011 PolarHBondContact O-NZ 3.43Å; V916-K1011 WeakPolarHBondContact CG1-O 3.49Å; P917-K1011 VanDerWaalsContact CD-O 3.3Å; P917-K1011 WeakPolarHBondContact CD-O 3.47Å; P917-K1011 WeakPolarHBondContact CG-O 3.26Å; F932-K1011 HydrophobicContact CD1-CD 4.43Å; F932-K1011 HydrophobicContact CD2-CD 4Å; F932-K1011 HydrophobicContact CD2-CG 3.99Å; F932-K1011 HydrophobicContact CE1-CB 4.03Å; F932-K1011 HydrophobicContact CE1-CD 4.49Å; F932-K1011 HydrophobicContact CE1-CG 4.39Å; F932-K1011 HydrophobicContact CE2-CB 3.84Å; F932-K1011 HydrophobicContact CE2-CD 4.07Å; F932-K1011 HydrophobicContact CE2-CG 3.56Å; F932-K1011 HydrophobicContact CG-CD 4.19Å; F932-K1011 HydrophobicContact CZ-CB 3.5Å; F932-K1011 HydrophobicContact CZ-CD 4.31Å; F932-K1011 HydrophobicContact CZ-CG 3.78Å; E935-K1011 IonicContact OE1-NZ 2.83Å; E935-K1011 PolarHBondContact OE1-NZ 2.67Å; E935-K1011 WeakPolarHBondContact OE2-CE 3.17Å; E935-K1011 IonicContact OE2-NZ 3.64Å; E935-K1011 PolarHBondContact OE2-NZ 3.44Å; L1007-K1011 WeakPolarHBondContact O-CE 3.2Å; L1007-K1011 WeakPolarHBondContact O-CG 3.41Å; F1008-K1011 WeakPolarHBondContact O-CB 3.46Å; F1008-K1011 WeakPolarHBondContact O-CG 3.49Å; F1008-K1011 PolarHBondContact O-N 3.02Å; K1009-K1011 PolarHBondContact O-N 3.49Å
1012F91.4Very high67.9Low7 Ų759.1 Ų59.13%0.03131%0.311CS..SBendtrans-109.6141.2-173.6-62.8-96.7000112.3P917 L922 F930 F1008 K1009 E1010 N1014 S1015P917-F1012 HydrophobicContact CB-CD1 3.79Å; P917-F1012 HydrophobicContact CB-CE1 3.73Å; P917-F1012 HydrophobicContact CG-CD1 3.9Å; P917-F1012 HydrophobicContact CG-CE1 3.94Å; P917-F1012 HydrophobicContact CG-CG 4.36Å; P917-F1012 HydrophobicContact CG-CZ 4.41Å; P917-F1012 VanDerWaalsContact O-CA 3.28Å; P917-F1012 WeakPolarHBondContact O-CA 3.49Å; L922-F1012 HydrophobicContact CD1-CE1 4.27Å; L922-F1012 HydrophobicContact CD1-CZ 4.07Å; L922-F1012 HydrophobicContact CD2-CE1 4.14Å; L922-F1012 HydrophobicContact CD2-CZ 3.93Å; L922-F1012 HydrophobicContact CG-CE1 4.12Å; L922-F1012 HydrophobicContact CG-CZ 4.21Å; F930-F1012 HydrophobicContact CD1-CZ 4.43Å; F930-F1012 AromaticContact CE1-CE1 3.91Å; F930-F1012 HydrophobicContact CE1-CE1 3.91Å; F930-F1012 AromaticContact CE1-CZ 3.65Å; F930-F1012 HydrophobicContact CE1-CZ 3.65Å; F930-F1012 HydrophobicContact CZ-CE1 4.12Å; F930-F1012 AromaticContact CZ-CZ 3.76Å; F930-F1012 HydrophobicContact CZ-CZ 3.76Å; F1008-F1012 AromaticContact CD1-CE2 3.85Å; F1008-F1012 HydrophobicContact CD1-CE2 3.85Å; F1008-F1012 HydrophobicContact CD2-CE2 4.43Å; F1008-F1012 AromaticContact CE1-CE2 3.52Å; F1008-F1012 HydrophobicContact CE1-CE2 3.52Å; F1008-F1012 AromaticContact CE1-CZ 3.81Å; F1008-F1012 HydrophobicContact CE1-CZ 3.81Å; F1008-F1012 HydrophobicContact CE2-CE2 4.13Å; F1008-F1012 HydrophobicContact CE2-CZ 4.28Å; F1008-F1012 HydrophobicContact CG-CE2 4.32Å; F1008-F1012 AromaticContact CZ-CE2 3.68Å; F1008-F1012 HydrophobicContact CZ-CE2 3.68Å; F1008-F1012 AromaticContact CZ-CZ 3.65Å; F1008-F1012 HydrophobicContact CZ-CZ 3.65Å; F1008-F1012 VanDerWaalsContact O-CD2 3.25Å; F1008-F1012 WeakPolarHBondContact O-CD2 3.5Å; F1008-F1012 VanDerWaalsContact O-CE2 3.3Å; F1008-F1012 WeakPolarHBondContact O-CE2 3.46Å; K1009-F1012 PolarHBondContact O-N 3.28Å; E1010-F1012 VanDerWaalsContact C-N 3.33Å; F1012-N1014 VanDerWaalsContact C-N 3.29Å; F1012-N1014 PolarHBondContact O-N 2.68Å; F1012-S1015 PolarHBondContact O-OG 3.15Å
1013A81.2Confident65.5Low44 Ų4460 Ų6036%0.36431%0.313SS..THydrogen-bonded Turntrans-63.6-22.5-171.100000116.6Q786 V916 P917Q786-A1013 VanDerWaalsContact NE2-CB 3.25Å; V916-A1013 HydrophobicContact CG1-CB 4.3Å; P917-A1013 PolarHBondContact O-N 3.3Å; P917-A1013 VanDerWaalsContact O-N 3.13Å
1014N62.8Low62.7Low65 Ų6564.3 Ų64.335%0.34834%0.336SS..THydrogen-bonded Turntrans-129.345.6-171.5-66.771.8000111.3H918 F1012H918-N1014 PolarHBondContact CD2-OD1 2.79Å; H918-N1014 PolarHBondContact NE2-OD1 2.93Å; H918-N1014 VanDerWaalsContact NE2-OD1 3.16Å; F1012-N1014 VanDerWaalsContact C-N 3.29Å; F1012-N1014 PolarHBondContact O-N 2.68Å
1015S48Very low59.8Low33 Ų3372 Ų7223%0.23137%0.371CS..  trans-89.4-4.5-165.243.60000115.9K1009 F1012K1009-S1015 WeakPolarHBondContact O-CB 3.19Å; K1009-S1015 PolarHBondContact O-OG 3.45Å; F1012-S1015 PolarHBondContact O-OG 3.15Å
1016F37.7Very low57.1Low32 Ų3280 Ų8014%0.1441%0.412CS..SBendtrans-126-23.6-163.6-93.6-92.5000119.1K828 E831 L835 I1006 E1010 Q1018 T1019K828-F1016 VanDerWaalsContact NZ-CG 3.34Å; E831-F1016 VanDerWaalsContact CD-CD1 3.41Å; E831-F1016 HydrophobicContact CG-CE1 3.96Å; E831-F1016 VanDerWaalsContact OE1-CD1 3.25Å; E831-F1016 WeakPolarHBondContact OE1-CD1 3.41Å; E831-F1016 WeakPolarHBondContact OE1-CE1 3.43Å; E831-F1016 WeakPolarHBondContact OE2-CD1 3.2Å; E831-F1016 WeakPolarHBondContact OE2-CE1 3.38Å; L835-F1016 HydrophobicContact CD1-CE1 3.74Å; L835-F1016 HydrophobicContact CD1-CZ 4.01Å; I1006-F1016 HydrophobicContact CD1-CE2 4.46Å; I1006-F1016 HydrophobicContact CD1-CZ 3.7Å; E1010-F1016 HydrophobicContact CG-CE2 4.37Å; E1010-F1016 WeakPolarHBondContact OE1-CE2 3.22Å; E1010-F1016 WeakPolarHBondContact OE1-CZ 3.46Å; E1010-F1016 WeakPolarHBondContact OE2-CE2 3.31Å; F1016-Q1018 PolarHBondContact O-N 3.46Å; F1016-Q1018 VanDerWaalsContact O-N 3.12Å; F1016-T1019 PolarHBondContact O-N 2.87Å; F1016-T1019 PolarHBondContact O-OG1 3.22Å
1017E35.4Very low54.2Low76 Ų7685.6 Ų85.636%0.35545%0.446SS..Hα-helixtrans-64-26.7-171.4-67.2152.2133.300113T1019 Q1335 S1336E1017-T1019 PolarHBondContact O-N 2.84Å; E1017-Q1335 VanDerWaalsContact OE1-O 3.12Å; E1017-S1336 WeakPolarHBondContact OE1-CA 3.19Å
1018Q33.1Very low51.2Low189 Ų18990.8 Ų90.888%0.88348%0.48SS*.Hα-helixtrans-74.2-6.6-176.1-149.2163.59100114.5F1016F1016-Q1018 PolarHBondContact O-N 3.46Å; F1016-Q1018 VanDerWaalsContact O-N 3.12Å
1019T32.7Very low48.3Very low87 Ų8796 Ų9653%0.53452%0.517SS..Hα-helixtrans-111.7-28.1179.317.70000115.2F1016 E1017F1016-T1019 PolarHBondContact O-N 2.87Å; F1016-T1019 PolarHBondContact O-OG1 3.22Å; E1017-T1019 PolarHBondContact O-N 2.84Å
1020S31.8Very low45.5Very low76 Ų7699.2 Ų99.253%0.53154%0.536SS..Hα-helixtrans-83.8-21.6-173.9-63.20000114.2N1022 K1023S1020-N1022 PolarHBondContact O-N 3.19Å; S1020-K1023 PolarHBondContact O-N 3.11Å
1021M30.8Very low42.7Very low140 Ų140106 Ų10669%0.6957%0.567SS**THydrogen-bonded Turntrans-63.5-3.3175.3-72.6-68.4-172.200115.4
1022N30.9Very low39.8Very low145 Ų145114.4 Ų114.478%0.77561%0.607SS**THydrogen-bonded Turntrans-115.114.1-178.8-83.1-62.4000114.7S1020S1020-N1022 PolarHBondContact O-N 3.19Å
1023K31.3Very low37Very low180 Ų180120.7 Ų120.778%0.78364%0.636SS**SBendtrans-130.855.7178.9-73.7-173.2179175.60114S1020S1020-K1023 PolarHBondContact O-N 3.11Å
1024N28.5Very low34.7Very low162 Ų162125 Ų12587%0.86666%0.658SS**SBendtrans-159.559.7155.5-103.4-22.9000113.6
1025H30.5Very low33.5Very low184 Ų184127.8 Ų127.885%0.85267%0.667SS**  trans-154.8100.8156.3-113.8-61.1000111.4
1026I34Very low32.7Very low169 Ų169132 Ų13287%0.86769%0.691SS**  trans-96.288.7172.4-58178.1000109.1
1027V32.6Very low32.3Very low123 Ų123135.5 Ų135.575%0.74573%0.726SS**  trans-143.1119.8151.5-173.80000107.5
1028P31.1Very low32.1Very low110 Ų110137 Ų13771%0.71474%0.744SS**  trans-93.2176.7-17336.6-36.5000114.2
1029S31.9Very low32Very low110 Ų110131.1 Ų131.177%0.76973%0.725SS**  trans76.4138.6170.2-95.40000117.8
1030I34.1Very low31.8Very low132 Ų132134.8 Ų134.868%0.67774%0.74SS**  cis-162.6161.7-11-139.3172000110.6
1031Q34.4Very low31.8Very low157 Ų157140.2 Ų140.273%0.73476%0.757SS**  trans61.9107.1169.4-72.2156.929.200117.3
1032E32.6Very low31.8Very low182 Ų182139.9 Ų139.985%0.8575%0.753SS**  70.6103.871.5-71.8-163.2126.100116.5
1033E31.9Very low31.7Very low139 Ų139136.3 Ų136.365%0.6574%0.744SS**  trans-149.6100.6131.5-152.4-179.8-15800112.1K1035E1033-K1035 VanDerWaalsContact CD-NZ 3.34Å; E1033-K1035 HydrophobicContact CG-CD 4.4Å; E1033-K1035 IonicContact OE1-NZ 2.66Å; E1033-K1035 PolarHBondContact OE1-NZ 2.65Å; E1033-K1035 IonicContact OE2-NZ 3.6Å
1034V33.2Very low32.2Very low135 Ų135132.3 Ų132.382%0.81874%0.738SS**  trans-77.9131.2174.3174.90000110.5
1035K37.3Very low32.8Very low123 Ų123127.9 Ų127.954%0.53572%0.724SS.*  trans-155.8130.1167.8-104.3137.5-168.7176.30114.9E1033E1033-K1035 VanDerWaalsContact CD-NZ 3.34Å; E1033-K1035 HydrophobicContact CG-CD 4.4Å; E1033-K1035 IonicContact OE1-NZ 2.66Å; E1033-K1035 PolarHBondContact OE1-NZ 2.65Å; E1033-K1035 IonicContact OE2-NZ 3.6Å
1036T32.1Very low33.8Very low122 Ų122126.5 Ų126.575%0.74872%0.719SS**  trans65.970.6161.917.20000117.5S1038T1036-S1038 PolarHBondContact O-N 3.34Å
1037A29.2Very low35Very low104 Ų104123.1 Ų123.186%0.8670%0.699SS**  trans-6793.115300000109.8
1038S30.2Very low37Very low107 Ų107120.7 Ų120.775%0.74868%0.676SS**  trans-154.235.2178-70.50000113.7T1036T1036-S1038 PolarHBondContact O-N 3.34Å
1039S30.4Very low39.1Very low67 Ų67118.9 Ų118.947%0.46967%0.666SS.*  trans-153.852.3170.458.30000113.9H1041 Q1042S1039-H1041 PolarHBondContact O-N 3.07Å; S1039-Q1042 VanDerWaalsContact CB-OE1 3.24Å; S1039-Q1042 PolarHBondContact O-N 3.04Å; S1039-Q1042 VanDerWaalsContact O-N 3.1Å; S1039-Q1042 PolarHBondContact OG-OE1 3Å; S1039-Q1042 VanDerWaalsContact OG-OE1 3.13Å
1040L30.1Very low41.4Very low164 Ų164114.6 Ų114.686%0.85964%0.636SS**THydrogen-bonded Turntrans-64.419.3175.7-96.5163.5000115.6
1041H30.5Very low43.8Very low190 Ų190113 Ų11388%0.8863%0.629SS**THydrogen-bonded Turntrans-119.819170.7-67-53.5000112.7S1039S1039-H1041 PolarHBondContact O-N 3.07Å
1042Q31Very low46.2Very low132 Ų132106 Ų10662%0.61760%0.597SS**SBendtrans-114.4-13.6176.3-68.1-170.9-84.100115.1S1039 S1044 A1045S1039-Q1042 VanDerWaalsContact CB-OE1 3.24Å; S1039-Q1042 PolarHBondContact O-N 3.04Å; S1039-Q1042 VanDerWaalsContact O-N 3.1Å; S1039-Q1042 PolarHBondContact OG-OE1 3Å; S1039-Q1042 VanDerWaalsContact OG-OE1 3.13Å; Q1042-S1044 VanDerWaalsContact C-N 3.25Å; Q1042-S1044 PolarHBondContact O-N 3.26Å; Q1042-S1044 VanDerWaalsContact O-N 3.16Å; Q1042-A1045 PolarHBondContact O-N 2.7Å
1043A29.3Very low48.7Very low71 Ų71105 Ų10559%0.58759%0.586SS**G310 helixtrans-64.1-21.8-172.800000115A1045A1043-A1045 PolarHBondContact O-N 3.31Å
1044S41.6Very low51.1Low95 Ų95100.6 Ų100.666%0.66457%0.572SS**G310 helixtrans-71.9-6.7-179.865.60000114.6Q1042Q1042-S1044 VanDerWaalsContact C-N 3.25Å; Q1042-S1044 PolarHBondContact O-N 3.26Å; Q1042-S1044 VanDerWaalsContact O-N 3.16Å
1045A41.9Very low53.6Low69 Ų6994.7 Ų94.757%0.5754%0.536SS*.G310 helixtrans-91.5-27.9-177.600000113.6Q1042 A1043Q1042-A1045 PolarHBondContact O-N 2.7Å; A1043-A1045 PolarHBondContact O-N 3.31Å
1046E50.2Low55.9Low156 Ų15692.4 Ų92.473%0.72953%0.527SS*.THydrogen-bonded Turntrans-84.4-26.9-173.7-65.2176.7157.100112.2W1048 S1049E1046-W1048 PolarHBondContact O-N 2.85Å; E1046-S1049 PolarHBondContact O-N 2.74Å; E1046-S1049 PolarHBondContact O-OG 3.11Å
1047Q60Low58Low97 Ų9789.2 Ų89.245%0.45352%0.517SS..THydrogen-bonded Turntrans-61.6-26176.6-170.3179.616.800113.6G1337 S1338 F1339Q1047-G1337 VanDerWaalsContact CG-O 3.25Å; Q1047-G1337 WeakPolarHBondContact CG-O 3.43Å; Q1047-G1337 PolarHBondContact NE2-O 3.4Å; Q1047-S1338 WeakPolarHBondContact O-CA 3.29Å; Q1047-F1339 PolarHBondContact O-N 3Å
1048W75Confident59.7Low72 Ų7285.8 Ų85.827%0.27349%0.492SS..THydrogen-bonded Turntrans-112.727.7-171.8-67.594.5000112.7E1046 A1334 F1339 K1399 E1400 C1403E1046-W1048 PolarHBondContact O-N 2.85Å; W1048-A1334 HydrophobicContact CH2-CB 4.23Å; W1048-A1334 HydrophobicContact CZ3-CB 3.99Å; W1048-F1339 HydrophobicContact CE3-CB 4.44Å; W1048-K1399 HydrophobicContact CE3-CB 4.31Å; W1048-K1399 HydrophobicContact CH2-CB 4.13Å; W1048-K1399 HydrophobicContact CH2-CD 4.46Å; W1048-K1399 HydrophobicContact CZ3-CB 3.84Å; W1048-E1400 HydrophobicContact CH2-CG 4.43Å; W1048-E1400 HydrophobicContact CZ3-CG 3.86Å; W1048-C1403 PolarHBondContact O-SG 3.43Å; W1048-C1403 VanDerWaalsContact O-SG 3.37Å
1049S74.1Confident60.8Low72 Ų7285.4 Ų85.450%0.50349%0.485SS..  trans-135111.4-179.961.60000113.2E1046E1046-S1049 PolarHBondContact O-N 2.74Å; E1046-S1049 PolarHBondContact O-OG 3.11Å
1050C81.1Confident61.5Low20 Ų2085.1 Ų85.114%0.13548%0.483CS..  trans-73.4138.4173.6175.30000111.5V1052 F1339 T1407C1050-V1052 PolarHBondContact O-N 2.84Å; C1050-F1339 WeakPolarHBondContact CA-O 3.41Å; C1050-F1339 HydrophobicContact CB-CD1 3.98Å; C1050-F1339 HydrophobicContact CB-CE1 4.26Å; C1050-F1339 WeakPolarHBondContact CB-O 3.18Å; C1050-F1339 PolarHBondContact N-O 3.05Å; C1050-T1407 HydrophobicContact CB-CG2 3.99Å
1051D83.3Confident62.2Low100 Ų10084 Ų8454%0.53548%0.477SS..  trans-75.390170.6-172.88.4000111.4R1053 A1054 L1055D1051-R1053 PolarHBondContact O-N 2.65Å; D1051-R1053 WeakPolarHBondContact OD1-CB 3.46Å; D1051-R1053 PolarHBondContact OD1-N 3.4Å; D1051-A1054 HydrophobicContact CB-CB 4.26Å; D1051-A1054 WeakPolarHBondContact O-CB 3.44Å; D1051-A1054 PolarHBondContact O-N 2.6Å; D1051-L1055 PolarHBondContact O-N 3.5Å; D1051-L1055 VanDerWaalsContact O-N 3.1Å
1052V85.6Confident62.7Low9 Ų980.7 Ų80.76%0.05548%0.475CS..Hα-helixtrans-54-23.6173.4169.50000113.6C1050 F1056 T1407 Q1410 Y1411 E1414C1050-V1052 PolarHBondContact O-N 2.84Å; V1052-F1056 VanDerWaalsContact O-CB 3.22Å; V1052-F1056 WeakPolarHBondContact O-CB 3.43Å; V1052-F1056 PolarHBondContact O-N 2.68Å; V1052-T1407 HydrophobicContact CG2-CG2 3.95Å; V1052-Q1410 HydrophobicContact CB-CG 4.13Å; V1052-Q1410 HydrophobicContact CG1-CG 4.14Å; V1052-Q1410 HydrophobicContact CG2-CB 4.05Å; V1052-Q1410 HydrophobicContact CG2-CG 3.91Å; V1052-Y1411 VanDerWaalsContact CG1-CA 3.46Å; V1052-E1414 HydrophobicContact CG1-CB 3.95Å
1053R85.4Confident63.4Low162 Ų16275.6 Ų75.661%0.61146%0.458SS*.Hα-helixtrans-75.8-37.4175.1-68-162.8177.6106.819.5113D1051 G1057 E1414D1051-R1053 PolarHBondContact O-N 2.65Å; D1051-R1053 WeakPolarHBondContact OD1-CB 3.46Å; D1051-R1053 PolarHBondContact OD1-N 3.4Å; R1053-G1057 WeakPolarHBondContact O-CA 3.09Å; R1053-G1057 PolarHBondContact O-N 2.64Å; R1053-E1414 HydrophobicContact CG-CG 4.21Å; R1053-E1414 IonicContact CZ-OE1 3.57Å; R1053-E1414 IonicContact NE-OE1 3.49Å; R1053-E1414 PolarHBondContact NE-OE1 3.04Å; R1053-E1414 IonicContact NH2-OE1 3.64Å; R1053-E1414 IonicContact NH2-OE2 2.7Å
1054A82.5Confident64.5Low45 Ų4577 Ų7737%0.37246%0.459SS..Hα-helixtrans-63-49.2170.700000109.8D1051 F1056 G1057 G1058D1051-A1054 HydrophobicContact CB-CB 4.26Å; D1051-A1054 WeakPolarHBondContact O-CB 3.44Å; D1051-A1054 PolarHBondContact O-N 2.6Å; A1054-F1056 PolarHBondContact O-N 3.31Å; A1054-G1057 PolarHBondContact O-N 3.24Å; A1054-G1058 PolarHBondContact O-N 3.24Å
1055L85.5Confident65.3Low11 Ų1176.1 Ų76.16%0.05845%0.453CS..Hα-helixtrans-55.8-52.2177.7-158.380.3000112D1051 R1328 F1330 G1341 T1407 Y1411D1051-L1055 PolarHBondContact O-N 3.5Å; D1051-L1055 VanDerWaalsContact O-N 3.1Å; L1055-R1328 PolarHBondContact O-NH1 3.48Å; L1055-R1328 PolarHBondContact O-NH2 2.91Å; L1055-F1330 HydrophobicContact CD1-CB 4.44Å; L1055-F1330 HydrophobicContact CD1-CD1 3.4Å; L1055-F1330 HydrophobicContact CD1-CE1 3.78Å; L1055-F1330 HydrophobicContact CD1-CG 4.08Å; L1055-F1330 HydrophobicContact CD2-CD1 4.41Å; L1055-F1330 HydrophobicContact CG-CD1 3.74Å; L1055-F1330 HydrophobicContact CG-CE1 3.67Å; L1055-F1330 HydrophobicContact CG-CG 4.34Å; L1055-F1330 HydrophobicContact CG-CZ 4.19Å; L1055-G1341 WeakPolarHBondContact CD1-O 3.4Å; L1055-T1407 HydrophobicContact CD2-CG2 4.39Å; L1055-Y1411 HydrophobicContact CD2-CD2 3.9Å; L1055-Y1411 HydrophobicContact CD2-CE2 4.39Å; L1055-Y1411 HydrophobicContact CG-CD2 4.47Å
1056F84Confident66.7Low76 Ų7679.2 Ų79.233%0.33346%0.456SS..Hα-helixtrans-68.7-40.8178.7179.1-113.3000112.6V1052 A1054 G1058 R1328 Y1411 E1414 R1415V1052-F1056 VanDerWaalsContact O-CB 3.22Å; V1052-F1056 WeakPolarHBondContact O-CB 3.43Å; V1052-F1056 PolarHBondContact O-N 2.68Å; A1054-F1056 PolarHBondContact O-N 3.31Å; F1056-G1058 PolarHBondContact O-N 2.97Å; F1056-R1328 PolarHBondContact O-NH1 3.17Å; F1056-Y1411 HydrophobicContact CB-CD2 4.19Å; F1056-Y1411 HydrophobicContact CB-CE2 3.94Å; F1056-Y1411 AromaticContact CD2-CE2 3.94Å; F1056-Y1411 HydrophobicContact CD2-CE2 3.94Å; F1056-Y1411 HydrophobicContact CG-CE2 4.45Å; F1056-E1414 HydrophobicContact CD1-CG 4.41Å; F1056-R1415 HydrophobicContact CD2-CB 3.81Å; F1056-R1415 HydrophobicContact CD2-CG 4.11Å; F1056-R1415 HydrophobicContact CE2-CB 3.62Å; F1056-R1415 HydrophobicContact CE2-CG 3.5Å; F1056-R1415 HydrophobicContact CZ-CB 4.22Å; F1056-R1415 HydrophobicContact CZ-CG 4.16Å
1057G77.3Confident68.4Low54 Ų5472.4 Ų72.456%0.55743%0.425SS*.Hα-helixtrans-64.6-16.7-176.600000114.9R1053 A1054R1053-G1057 WeakPolarHBondContact O-CA 3.09Å; R1053-G1057 PolarHBondContact O-N 2.64Å; A1054-G1057 PolarHBondContact O-N 3.24Å
1058G65.5Low69.6Low32 Ų3272.5 Ų72.533%0.3343%0.427SS..THydrogen-bonded Turntrans68.936178.900000112.3A1054 F1056 C1060A1054-G1058 PolarHBondContact O-N 3.24Å; F1056-G1058 PolarHBondContact O-N 2.97Å; G1058-C1060 VanDerWaalsContact C-N 3.26Å; G1058-C1060 PolarHBondContact O-N 3.34Å
1059V52Low70.2Confident100 Ų10069 Ų6961%0.60641%0.414SS*.  trans-69.790.7170.1-178.30000106.9L1061V1059-L1061 HydrophobicContact CG1-CD2 4.3Å; V1059-L1061 PolarHBondContact O-N 3.39Å
1060C46Very low70.6Confident61 Ų6168.6 Ų68.641%0.41241%0.406SS..  trans-72.891.7-174-164.40000109.9G1058 S1062 G1063G1058-C1060 VanDerWaalsContact C-N 3.26Å; G1058-C1060 PolarHBondContact O-N 3.34Å; C1060-S1062 PolarHBondContact O-N 3.42Å; C1060-G1063 WeakPolarHBondContact SG-CA 3.14Å; C1060-G1063 PolarHBondContact SG-N 3.46Å
1061L45.1Very low70.5Confident139 Ų13969.7 Ų69.773%0.72842%0.421SS*.SBendtrans-68.295.9172.7-60.9174.8000108.4V1059 G1063V1059-L1061 HydrophobicContact CG1-CD2 4.3Å; V1059-L1061 PolarHBondContact O-N 3.39Å; L1061-G1063 VanDerWaalsContact C-N 3.26Å; L1061-G1063 PolarHBondContact O-N 2.77Å; L1061-G1063 VanDerWaalsContact O-N 3.12Å
1062S39.5Very low70.5Confident122 Ų12265 Ų6585%0.85340%0.396SS*.SBendtrans64.84.5175.6-156.30000118.3C1060 V1064C1060-S1062 PolarHBondContact O-N 3.42Å; S1062-V1064 VanDerWaalsContact C-N 3.34Å; S1062-V1064 PolarHBondContact O-N 3.29Å
1063G46Very low70.5Confident25 Ų2566.8 Ų66.826%0.25841%0.405SS..  trans-81.542.6-16700000118.4C1060 L1061 V1345C1060-G1063 WeakPolarHBondContact SG-CA 3.14Å; C1060-G1063 PolarHBondContact SG-N 3.46Å; L1061-G1063 VanDerWaalsContact C-N 3.26Å; L1061-G1063 PolarHBondContact O-N 2.77Å; L1061-G1063 VanDerWaalsContact O-N 3.12Å; G1063-V1345 WeakPolarHBondContact O-CB 3.32Å; G1063-V1345 WeakPolarHBondContact O-CG1 3.25Å
1064V52.1Low70.6Confident101 Ų10159.1 Ų59.161%0.61238%0.376SS*.SBendtrans-132.2119.9159.8-177.60000107.6S1062 Q1066S1062-V1064 VanDerWaalsContact C-N 3.34Å; S1062-V1064 PolarHBondContact O-N 3.29Å; V1064-Q1066 PolarHBondContact O-N 3.42Å
1065S58.7Low70.7Confident75 Ų7564 Ų6452%0.52439%0.385SS..  trans-64.494.2-177.9-51.30000111.2V1067S1065-V1067 PolarHBondContact O-N 2.87Å
1066Q72.5Confident70.9Confident135 Ų13566.4 Ų66.463%0.63139%0.393SS*.  trans-68.9112.7173.6-70.6178.3-3.300108.9V1064 I1068V1064-Q1066 PolarHBondContact O-N 3.42Å; Q1066-I1068 HydrophobicContact CB-CG1 4.24Å; Q1066-I1068 PolarHBondContact O-N 2.74Å
1067V84.9Confident71.1Confident13 Ų1362.8 Ų62.88%0.07938%0.377CS..  trans-8799.7172.8-179.10000107S1065 L1069 V1074 F1148 V1174 P1182S1065-V1067 PolarHBondContact O-N 2.87Å; V1067-L1069 HydrophobicContact CG1-CD2 3.87Å; V1067-L1069 HydrophobicContact CG1-CG 4.09Å; V1067-V1074 HydrophobicContact CB-CG2 4Å; V1067-V1074 HydrophobicContact CG1-CG2 3.94Å; V1067-V1074 WeakPolarHBondContact O-CG2 3.49Å; V1067-V1074 PolarHBondContact O-N 2.98Å; V1067-F1148 HydrophobicContact CG1-CE1 4.27Å; V1067-V1174 HydrophobicContact CG1-CG2 4.37Å; V1067-P1182 HydrophobicContact CG2-CB 3.8Å; V1067-P1182 HydrophobicContact CG2-CG 3.91Å
1068I86.4Confident71.6Confident98 Ų9863.3 Ų63.350%0.50336%0.362SS..EExtended strand (participates in β ladder)trans-95.6111.1179.4-57.1177.2000108.2Q1066 V1072Q1066-I1068 HydrophobicContact CB-CG1 4.24Å; Q1066-I1068 PolarHBondContact O-N 2.74Å; I1068-V1072 CarbonylContact C-O 3.56Å; I1068-V1072 WeakPolarHBondContact CA-O 3.47Å
1069L87Confident72.6Confident0 Ų066.2 Ų66.20%037%0.371CS..EExtended strand (participates in β ladder)trans-109.7124.4174.5-53.1-175.6000108.4V1067 G1071 V1072 V1074 W1127 Y1129 A1146 A1172 V1174V1067-L1069 HydrophobicContact CG1-CD2 3.87Å; V1067-L1069 HydrophobicContact CG1-CG 4.09Å; L1069-G1071 PolarHBondContact O-N 2.78Å; L1069-G1071 VanDerWaalsContact O-N 3.14Å; L1069-V1072 PolarHBondContact N-O 2.8Å; L1069-V1072 WeakPolarHBondContact O-CB 3.26Å; L1069-V1072 PolarHBondContact O-N 3.18Å; L1069-V1074 HydrophobicContact CB-CG1 4.04Å; L1069-V1074 HydrophobicContact CD1-CG1 3.95Å; L1069-V1074 HydrophobicContact CD1-CG2 4.3Å; L1069-V1074 HydrophobicContact CG-CG1 3.96Å; L1069-V1074 HydrophobicContact CG-CG2 4.38Å; L1069-W1127 HydrophobicContact CD1-CE3 3.83Å; L1069-W1127 HydrophobicContact CD1-CZ3 3.57Å; L1069-Y1129 WeakPolarHBondContact CB-OH 3.42Å; L1069-Y1129 HydrophobicContact CD1-CE1 4.07Å; L1069-A1146 HydrophobicContact CD1-CB 3.78Å; L1069-A1146 HydrophobicContact CD2-CB 4.22Å; L1069-A1172 HydrophobicContact CB-CB 4.39Å; L1069-A1172 HydrophobicContact CD2-CB 3.81Å; L1069-V1174 HydrophobicContact CD2-CG2 3.7Å
1070D82.5Confident74.3Confident62 Ų6264.7 Ų64.733%0.33236%0.358SS..THydrogen-bonded Turntrans51.138.9178.1-57.8-16.9000114.2V1072 R1144 S1171D1070-V1072 VanDerWaalsContact C-N 3.31Å; D1070-V1072 PolarHBondContact O-N 2.83Å; D1070-R1144 PolarHBondContact O-NH1 2.58Å; D1070-S1171 WeakPolarHBondContact OD1-CB 3.31Å; D1070-S1171 PolarHBondContact OD1-OG 2.83Å; D1070-S1171 WeakPolarHBondContact OD2-CB 3.42Å; D1070-S1171 PolarHBondContact OD2-OG 3.2Å
1071G78.5Confident76.2Confident43 Ų4361.8 Ų61.844%0.44334%0.339SS..THydrogen-bonded Turntrans77.27.3-177.900000115.5L1069L1069-G1071 PolarHBondContact O-N 2.78Å; L1069-G1071 VanDerWaalsContact O-N 3.14Å
1072V83.2Confident77.9Confident2 Ų258 Ų581%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-111123.5178.5-170.80000109.7I1068 L1069 D1070 V1074 V1081 F1083 L1131I1068-V1072 CarbonylContact C-O 3.56Å; I1068-V1072 WeakPolarHBondContact CA-O 3.47Å; L1069-V1072 PolarHBondContact N-O 2.8Å; L1069-V1072 WeakPolarHBondContact O-CB 3.26Å; L1069-V1072 PolarHBondContact O-N 3.18Å; D1070-V1072 VanDerWaalsContact C-N 3.31Å; D1070-V1072 PolarHBondContact O-N 2.83Å; V1072-V1074 PolarHBondContact O-N 2.78Å; V1072-V1081 HydrophobicContact CG1-CB 4.06Å; V1072-V1081 HydrophobicContact CG1-CG2 3.94Å; V1072-F1083 HydrophobicContact CG2-CD1 3.54Å; V1072-F1083 HydrophobicContact CG2-CE1 3.71Å; V1072-L1131 HydrophobicContact CG2-CD1 4.42Å
1073D85.7Confident79.8Confident47 Ų4754.3 Ų54.325%0.25129%0.29SS..EExtended strand (participates in β ladder)trans-67.3111.1164.7174.712.6000108.2R1075D1073-R1075 HydrophobicContact CB-CG 4.41Å; D1073-R1075 WeakPolarHBondContact O-CG 3.17Å; D1073-R1075 PolarHBondContact O-N 2.76Å; D1073-R1075 WeakPolarHBondContact OD1-CA 3.28Å; D1073-R1075 PolarHBondContact OD1-N 2.7Å
1074V88.4Confident81.2Confident0 Ų058.3 Ų58.30%032%0.315CS..  trans-82.2-2.7179.4-55.70000113V1067 L1069 V1072 R1076 G1077 L1091 W1127 C1184V1067-V1074 HydrophobicContact CB-CG2 4Å; V1067-V1074 HydrophobicContact CG1-CG2 3.94Å; V1067-V1074 WeakPolarHBondContact O-CG2 3.49Å; V1067-V1074 PolarHBondContact O-N 2.98Å; L1069-V1074 HydrophobicContact CB-CG1 4.04Å; L1069-V1074 HydrophobicContact CD1-CG1 3.95Å; L1069-V1074 HydrophobicContact CD1-CG2 4.3Å; L1069-V1074 HydrophobicContact CG-CG1 3.96Å; L1069-V1074 HydrophobicContact CG-CG2 4.38Å; V1072-V1074 PolarHBondContact O-N 2.78Å; V1074-R1076 PolarHBondContact O-N 3.39Å; V1074-G1077 PolarHBondContact O-N 3.36Å; V1074-L1091 HydrophobicContact CB-CD1 3.85Å; V1074-L1091 HydrophobicContact CG1-CD1 3.81Å; V1074-W1127 HydrophobicContact CB-CH2 4.22Å; V1074-W1127 HydrophobicContact CB-CZ3 4.35Å; V1074-W1127 HydrophobicContact CG1-CH2 4.48Å; V1074-W1127 HydrophobicContact CG1-CZ3 4.38Å; V1074-W1127 HydrophobicContact CG2-CH2 4.26Å; V1074-W1127 HydrophobicContact CG2-CZ3 4.05Å; V1074-C1184 HydrophobicContact CG2-CB 4Å
1075R84.6Confident82.4Confident147 Ų14756.5 Ų56.556%0.55530%0.301SS*.THydrogen-bonded Turntrans56.5-95.6170.1-46178.479.4-168.75.1113.3D1073 L1080D1073-R1075 HydrophobicContact CB-CG 4.41Å; D1073-R1075 WeakPolarHBondContact O-CG 3.17Å; D1073-R1075 PolarHBondContact O-N 2.76Å; D1073-R1075 WeakPolarHBondContact OD1-CA 3.28Å; D1073-R1075 PolarHBondContact OD1-N 2.7Å; R1075-L1080 PolarHBondContact NH1-O 3.01Å
1076R89.8Confident83.3Confident62 Ų6254.5 Ų54.523%0.23429%0.293CS..THydrogen-bonded Turntrans-112.511.1179.1-68.7-170.7151.9-107.9-17.3113.4V1074 R1078 A1183 C1184 Q1187 E1219 C1348 R1349V1074-R1076 PolarHBondContact O-N 3.39Å; R1076-R1078 HydrophobicContact CB-CG 4.48Å; R1076-A1183 HydrophobicContact CB-CB 4.33Å; R1076-A1183 HydrophobicContact CG-CB 3.94Å; R1076-C1184 WeakPolarHBondContact O-CA 3.2Å; R1076-Q1187 WeakPolarHBondContact O-CG 2.99Å; R1076-E1219 IonicContact CZ-OE1 3.68Å; R1076-E1219 IonicContact CZ-OE2 3.54Å; R1076-E1219 IonicContact NH1-OE1 2.6Å; R1076-E1219 PolarHBondContact NH1-OE1 3.12Å; R1076-E1219 IonicContact NH1-OE2 2.66Å; R1076-E1219 PolarHBondContact NH1-OE2 3.12Å; R1076-E1219 IonicContact NH2-OE2 2.64Å; R1076-C1348 PolarHBondContact NH2-O 3.43Å; R1076-R1349 PolarHBondContact NH2-O 2.93Å
1077G87.8Confident83.7Confident0 Ų056.1 Ų56.10%029%0.293CS..SBendtrans79.314.6175.600000115.1V1074 L1091 Q1187V1074-G1077 PolarHBondContact O-N 3.36Å; G1077-L1091 WeakPolarHBondContact O-CD2 3.21Å; G1077-Q1187 PolarHBondContact O-NE2 2.83Å; G1077-Q1187 PolarHBondContact O-OE1 3.15Å
1078R87.9Confident83.6Confident65 Ų6560 Ų6025%0.24531%0.311CS..SBendtrans-163.7171.8-17351.6165.8165.4150-8.8110.2R1076 L1091 E1219R1076-R1078 HydrophobicContact CB-CG 4.48Å; R1078-L1091 WeakPolarHBondContact CA-O 3.24Å; R1078-E1219 IonicContact CZ-OE1 3.69Å; R1078-E1219 IonicContact NH2-OE1 3.37Å; R1078-E1219 PolarHBondContact NH2-OE1 3.48Å
1079D85.8Confident83.6Confident94 Ų9455.4 Ų55.450%0.50329%0.287SS..EExtended strand (participates in β ladder)trans61.8-166.7178.6-39.7-48.8000111.2V1081 D1090 L1091D1079-V1081 PolarHBondContact O-N 3.18Å; D1079-D1090 VanDerWaalsContact C-OD1 3.31Å; D1079-D1090 WeakPolarHBondContact CA-OD1 3.32Å; D1079-L1091 PolarHBondContact O-N 3.17Å; D1079-L1091 VanDerWaalsContact O-N 3.11Å
1080L87.4Confident83.7Confident67 Ų6759 Ų5935%0.35131%0.306SS..EExtended strand (participates in β ladder)trans-70.4117.8-172.7-156.674.6000113.3R1075 Q1088 A1089R1075-L1080 PolarHBondContact NH1-O 3.01Å; L1080-Q1088 HydrophobicContact CD1-CB 4.13Å; L1080-Q1088 HydrophobicContact CD2-CB 4.19Å; L1080-Q1088 HydrophobicContact CD2-CG 4.3Å; L1080-Q1088 HydrophobicContact CG-CB 4.1Å; L1080-A1089 WeakPolarHBondContact CA-O 3.17Å
1081V86.4Confident84.2Confident0 Ų056.2 Ų56.20%029%0.291CS..EExtended strand (participates in β ladder)trans-103.3155.3171.6-63.30000111.3V1072 D1079 Q1088 A1089 L1091 L1131V1072-V1081 HydrophobicContact CG1-CB 4.06Å; V1072-V1081 HydrophobicContact CG1-CG2 3.94Å; D1079-V1081 PolarHBondContact O-N 3.18Å; V1081-Q1088 WeakPolarHBondContact O-CA 3.43Å; V1081-A1089 HydrophobicContact CG2-CB 4.46Å; V1081-A1089 WeakPolarHBondContact CG2-O 3.45Å; V1081-A1089 PolarHBondContact N-O 3.26Å; V1081-A1089 PolarHBondContact O-N 2.93Å; V1081-L1091 HydrophobicContact CG1-CB 4Å; V1081-L1091 HydrophobicContact CG1-CD1 3.75Å; V1081-L1091 HydrophobicContact CG2-CB 4.11Å; V1081-L1091 HydrophobicContact CG2-CD1 4.31Å; V1081-L1131 HydrophobicContact CG2-CD2 3.79Å
1082T81.2Confident84.8Confident61 Ų6156.5 Ų56.537%0.37429%0.286SS..EExtended strand (participates in β ladder)trans-116.6129.6-179.9-46.50000109.6R1087 Q1088T1082-R1087 CarbonylContact C-O 3.18Å; T1082-R1087 WeakPolarHBondContact CA-O 3.34Å; T1082-R1087 WeakPolarHBondContact CG2-O 3.38Å; T1082-Q1088 HydrophobicContact CG2-CG 4.39Å
1083F79.8Confident85.3Confident43 Ų4359 Ų5919%0.18930%0.302CS..  trans-76.1163.7173.3-64-86.3000111.4V1072 D1085 G1086 R1087 A1089 L1131V1072-F1083 HydrophobicContact CG2-CD1 3.54Å; V1072-F1083 HydrophobicContact CG2-CE1 3.71Å; F1083-D1085 WeakPolarHBondContact CB-OD1 3.13Å; F1083-D1085 PolarHBondContact O-N 3.19Å; F1083-G1086 PolarHBondContact O-N 3.49Å; F1083-R1087 HydrophobicContact CB-CB 4.46Å; F1083-R1087 HydrophobicContact CD2-CB 3.79Å; F1083-R1087 WeakPolarHBondContact CD2-O 3.22Å; F1083-R1087 PolarHBondContact N-O 3.04Å; F1083-A1089 HydrophobicContact CE2-CB 3.52Å; F1083-A1089 HydrophobicContact CZ-CB 3.89Å; F1083-L1131 HydrophobicContact CE1-CD1 3.77Å; F1083-L1131 HydrophobicContact CZ-CB 4.34Å; F1083-L1131 HydrophobicContact CZ-CD1 3.82Å
1084S75Confident85.7Confident110 Ų11060 Ų6077%0.76931%0.309SS*.THydrogen-bonded Turntrans-63.1-16.717652.60000114.6
1085D78.1Confident86Confident62 Ų6262.2 Ų62.233%0.33233%0.325SS..THydrogen-bonded Turntrans-93.57.4172.479.6-17.4000113.9F1083 R1087F1083-D1085 WeakPolarHBondContact CB-OD1 3.13Å; F1083-D1085 PolarHBondContact O-N 3.19Å; D1085-R1087 VanDerWaalsContact C-N 3.33Å; D1085-R1087 PolarHBondContact O-N 2.82Å; D1085-R1087 WeakPolarHBondContact OD1-CB 3.15Å; D1085-R1087 WeakPolarHBondContact OD1-CG 3.4Å; D1085-R1087 PolarHBondContact OD1-N 3.01Å; D1085-R1087 VanDerWaalsContact OD1-N 3.16Å; D1085-R1087 IonicContact OD1-NE 2.71Å; D1085-R1087 IonicContact OD2-CZ 3.26Å; D1085-R1087 VanDerWaalsContact OD2-CZ 3.26Å; D1085-R1087 IonicContact OD2-NE 3.65Å; D1085-R1087 PolarHBondContact OD2-NE 2.9Å; D1085-R1087 IonicContact OD2-NH2 2.93Å; D1085-R1087 PolarHBondContact OD2-NH2 2.96Å
1086G77Confident86.4Confident34 Ų3456.6 Ų56.635%0.35131%0.307SS..SBendtrans84.9-7178.200000115.4F1083F1083-G1086 PolarHBondContact O-N 3.49Å
1087R79.9Confident86.7Confident169 Ų16957.3 Ų57.364%0.63831%0.312SS*.  trans-63.2159172.7-72.3-173.6-124.1-146.6-4.9111.7T1082 F1083 D1085T1082-R1087 CarbonylContact C-O 3.18Å; T1082-R1087 WeakPolarHBondContact CA-O 3.34Å; T1082-R1087 WeakPolarHBondContact CG2-O 3.38Å; F1083-R1087 HydrophobicContact CB-CB 4.46Å; F1083-R1087 HydrophobicContact CD2-CB 3.79Å; F1083-R1087 WeakPolarHBondContact CD2-O 3.22Å; F1083-R1087 PolarHBondContact N-O 3.04Å; D1085-R1087 VanDerWaalsContact C-N 3.33Å; D1085-R1087 PolarHBondContact O-N 2.82Å; D1085-R1087 WeakPolarHBondContact OD1-CB 3.15Å; D1085-R1087 WeakPolarHBondContact OD1-CG 3.4Å; D1085-R1087 PolarHBondContact OD1-N 3.01Å; D1085-R1087 VanDerWaalsContact OD1-N 3.16Å; D1085-R1087 IonicContact OD1-NE 2.71Å; D1085-R1087 IonicContact OD2-CZ 3.26Å; D1085-R1087 VanDerWaalsContact OD2-CZ 3.26Å; D1085-R1087 IonicContact OD2-NE 3.65Å; D1085-R1087 PolarHBondContact OD2-NE 2.9Å; D1085-R1087 IonicContact OD2-NH2 2.93Å; D1085-R1087 PolarHBondContact OD2-NH2 2.96Å
1088Q83.7Confident87Confident95 Ų9557.6 Ų57.644%0.44431%0.314SS..EExtended strand (participates in β ladder)trans-120.9138.6177.6-67.6173.3-6.400110.8L1080 V1081 T1082 S1134L1080-Q1088 HydrophobicContact CD1-CB 4.13Å; L1080-Q1088 HydrophobicContact CD2-CB 4.19Å; L1080-Q1088 HydrophobicContact CD2-CG 4.3Å; L1080-Q1088 HydrophobicContact CG-CB 4.1Å; V1081-Q1088 WeakPolarHBondContact O-CA 3.43Å; T1082-Q1088 HydrophobicContact CG2-CG 4.39Å; Q1088-S1134 PolarHBondContact O-N 2.99Å
1089A86.6Confident87.2Confident0 Ų055.6 Ų55.60%031%0.306CS..EExtended strand (participates in β ladder)trans-131.9150169.900000110.2L1080 V1081 F1083 L1131 T1132L1080-A1089 WeakPolarHBondContact CA-O 3.17Å; V1081-A1089 HydrophobicContact CG2-CB 4.46Å; V1081-A1089 WeakPolarHBondContact CG2-O 3.45Å; V1081-A1089 PolarHBondContact N-O 3.26Å; V1081-A1089 PolarHBondContact O-N 2.93Å; F1083-A1089 HydrophobicContact CE2-CB 3.52Å; F1083-A1089 HydrophobicContact CZ-CB 3.89Å; A1089-L1131 HydrophobicContact CB-CB 4.12Å; A1089-L1131 HydrophobicContact CB-CD2 4.49Å; A1089-T1132 CarbonylContact C-O 3.52Å; A1089-T1132 WeakPolarHBondContact CA-O 3.26Å; A1089-T1132 WeakPolarHBondContact CB-O 3.31Å
1090D89Confident87.5Confident76 Ų7653.2 Ų53.241%0.40629%0.293SS..EExtended strand (participates in β ladder)trans-80.7134.9165.9-16841000109D1079 T1132D1079-D1090 VanDerWaalsContact C-OD1 3.31Å; D1079-D1090 WeakPolarHBondContact CA-OD1 3.32Å; D1090-T1132 PolarHBondContact N-O 3.36Å; D1090-T1132 PolarHBondContact O-N 2.84Å; D1090-T1132 VanDerWaalsContact O-N 3.13Å; D1090-T1132 PolarHBondContact O-OG1 3.11Å
1091L91.9Very high87.6Confident4 Ų450.2 Ų50.22%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-106.1115.8-177.7-166167.1000109.6V1074 G1077 R1078 D1079 V1081 W1127 Y1129 L1131V1074-L1091 HydrophobicContact CB-CD1 3.85Å; V1074-L1091 HydrophobicContact CG1-CD1 3.81Å; G1077-L1091 WeakPolarHBondContact O-CD2 3.21Å; R1078-L1091 WeakPolarHBondContact CA-O 3.24Å; D1079-L1091 PolarHBondContact O-N 3.17Å; D1079-L1091 VanDerWaalsContact O-N 3.11Å; V1081-L1091 HydrophobicContact CG1-CB 4Å; V1081-L1091 HydrophobicContact CG1-CD1 3.75Å; V1081-L1091 HydrophobicContact CG2-CB 4.11Å; V1081-L1091 HydrophobicContact CG2-CD1 4.31Å; L1091-W1127 HydrophobicContact CD1-CH2 4.3Å; L1091-W1127 HydrophobicContact CD2-CH2 3.86Å; L1091-W1127 HydrophobicContact CD2-CZ2 3.6Å; L1091-Y1129 HydrophobicContact CD1-CD2 4.22Å; L1091-Y1129 HydrophobicContact CD1-CE2 4.49Å; L1091-Y1129 HydrophobicContact CD2-CD2 4.2Å; L1091-Y1129 HydrophobicContact CD2-CG 4.42Å; L1091-Y1129 HydrophobicContact CG-CD2 4.05Å; L1091-L1131 HydrophobicContact CB-CD2 3.89Å; L1091-L1131 HydrophobicContact CD1-CD2 3.95Å; L1091-L1131 HydrophobicContact CG-CD2 3.67Å
1092S91.5Very high87.4Confident48 Ų4852.8 Ų52.834%0.33630%0.295SS..EExtended strand (participates in β ladder)trans-117.1144.7176.761.10000112Y1129 S1130S1092-Y1129 CarbonylContact O-C 3.49Å; S1092-Y1129 VanDerWaalsContact O-CA 3.24Å; S1092-Y1129 WeakPolarHBondContact O-CA 3.41Å; S1092-Y1129 WeakPolarHBondContact O-CB 2.99Å; S1092-S1130 PolarHBondContact N-O 2.89Å; S1092-S1130 VanDerWaalsContact N-O 3.09Å; S1092-S1130 PolarHBondContact O-N 2.83Å; S1092-S1130 PolarHBondContact OG-OG 2.85Å
1093T94Very high87.2Confident56 Ų5658.8 Ų58.834%0.34432%0.319SS..EExtended strand (participates in β ladder)trans-83.9124.6174.3-65.50000110V1096 W1127T1093-V1096 HydrophobicContact CG2-CG2 3.84Å; T1093-W1127 PolarHBondContact OG1-NE1 2.95Å
1094V93.6Very high86.7Confident67 Ų6760.9 Ų60.941%0.40635%0.353SS..EExtended strand (participates in β ladder)trans-92.2-47.9179.2178.20000110.6T1128 E1143V1094-T1128 HydrophobicContact CB-CG2 4.14Å; V1094-T1128 HydrophobicContact CG1-CG2 4.41Å; V1094-T1128 PolarHBondContact N-O 3.21Å; V1094-E1143 HydrophobicContact CG2-CG 4.46Å
1095S94.1Very high86.8Confident47 Ų4757.3 Ų57.333%0.32933%0.334SS..EExtended strand (participates in β ladder)trans-154.5159.517474.30000112.8T1128S1095-T1128 PolarHBondContact N-O 2.96Å; S1095-T1128 PolarHBondContact O-N 3.16Å
1096V94.9Very high87.1Confident29 Ų2956 Ų5618%0.17633%0.327CS..EExtended strand (participates in β ladder)trans-132.4128.9171.7-1740000107.7T1093 L1114 I1125 R1126 L1188T1093-V1096 HydrophobicContact CG2-CG2 3.84Å; V1096-L1114 HydrophobicContact CB-CD1 4.49Å; V1096-L1114 HydrophobicContact CG1-CD1 4.02Å; V1096-I1125 HydrophobicContact CG1-CG2 3.66Å; V1096-R1126 WeakPolarHBondContact CA-O 3.39Å; V1096-L1188 HydrophobicContact CG1-CB 4.43Å; V1096-L1188 HydrophobicContact CG2-CB 4.12Å; V1096-L1188 HydrophobicContact CG2-CD2 4.12Å
1097K94.2Very high87.7Confident76 Ų7658.2 Ų58.233%0.3334%0.336SS..EExtended strand (participates in β ladder)trans-124.8149.8173.3-79.5172.5161.5-90.20109.4W1099 E1108 I1125 R1126K1097-W1099 HydrophobicContact CB-CE3 4.41Å; K1097-W1099 HydrophobicContact CB-CH2 3.34Å; K1097-W1099 HydrophobicContact CB-CZ2 4.07Å; K1097-W1099 HydrophobicContact CB-CZ3 3.52Å; K1097-W1099 HydrophobicContact CD-CH2 3.84Å; K1097-W1099 HydrophobicContact CD-CZ2 4.11Å; K1097-W1099 HydrophobicContact CG-CH2 4.22Å; K1097-E1108 IonicContact NZ-OE1 3.5Å; K1097-E1108 PolarHBondContact NZ-OE1 3.01Å; K1097-E1108 IonicContact NZ-OE2 3.78Å; K1097-E1108 PolarHBondContact NZ-OE2 2.96Å; K1097-I1125 CarbonylContact O-C 3.57Å; K1097-I1125 VanDerWaalsContact O-CA 3.32Å; K1097-I1125 WeakPolarHBondContact O-CA 3.47Å; K1097-R1126 PolarHBondContact N-O 2.79Å; K1097-R1126 PolarHBondContact O-N 3.2Å
1098V94.5Very high88.3Confident7 Ų755.3 Ų55.34%0.04233%0.329CS..EExtended strand (participates in β ladder)trans-131.4139.7-177.4-178.30000109.7V1109 L1114 Y1123 A1124 I1125V1098-V1109 HydrophobicContact CB-CB 4.1Å; V1098-V1109 HydrophobicContact CB-CG2 4.46Å; V1098-V1109 HydrophobicContact CG1-CB 4.11Å; V1098-V1109 HydrophobicContact CG1-CG2 3.97Å; V1098-V1109 PolarHBondContact O-N 3.44Å; V1098-L1114 HydrophobicContact CG2-CD1 3.6Å; V1098-Y1123 HydrophobicContact CG1-CD1 4Å; V1098-A1124 CarbonylContact C-O 3.6Å; V1098-A1124 WeakPolarHBondContact CA-O 3.28Å; V1098-I1125 HydrophobicContact CG1-CG1 4.27Å; V1098-I1125 HydrophobicContact CG2-CB 4.49Å; V1098-I1125 HydrophobicContact CG2-CG1 4.01Å; V1098-I1125 HydrophobicContact CG2-CG2 4.18Å
1099W92.9Very high88.6Confident22 Ų2252.3 Ų52.38%0.08332%0.318CS..EExtended strand (participates in β ladder)trans-126.2138171.1-61.7-105000109.6K1097 I1101 D1106 C1107 E1108 Y1123 A1124 R1126 L1166K1097-W1099 HydrophobicContact CB-CE3 4.41Å; K1097-W1099 HydrophobicContact CB-CH2 3.34Å; K1097-W1099 HydrophobicContact CB-CZ2 4.07Å; K1097-W1099 HydrophobicContact CB-CZ3 3.52Å; K1097-W1099 HydrophobicContact CD-CH2 3.84Å; K1097-W1099 HydrophobicContact CD-CZ2 4.11Å; K1097-W1099 HydrophobicContact CG-CH2 4.22Å; W1099-I1101 HydrophobicContact CB-CD1 4.32Å; W1099-D1106 HydrophobicContact CB-CB 4.41Å; W1099-C1107 CarbonylContact C-O 3.52Å; W1099-C1107 WeakPolarHBondContact CA-O 3.31Å; W1099-E1108 VanDerWaalsContact CD1-CA 3.44Å; W1099-E1108 HydrophobicContact CG-CB 4.44Å; W1099-Y1123 CarbonylContact O-C 3.59Å; W1099-Y1123 WeakPolarHBondContact O-CA 3.36Å; W1099-A1124 PolarHBondContact N-O 3.01Å; W1099-A1124 PolarHBondContact O-N 3.36Å; W1099-R1126 HydrophobicContact CH2-CB 3.82Å; W1099-R1126 HydrophobicContact CZ3-CB 3.47Å; W1099-R1126 VanDerWaalsContact CZ3-CB 3.47Å; W1099-L1166 HydrophobicContact CB-CD2 4.17Å; W1099-L1166 HydrophobicContact CD2-CD1 3.99Å; W1099-L1166 HydrophobicContact CD2-CD2 3.96Å; W1099-L1166 HydrophobicContact CD2-CG 4.2Å; W1099-L1166 HydrophobicContact CE3-CD2 4.03Å; W1099-L1166 HydrophobicContact CE3-CG 4.27Å; W1099-L1166 HydrophobicContact CG-CD1 4.21Å; W1099-L1166 HydrophobicContact CG-CD2 4.03Å; W1099-L1166 HydrophobicContact CZ2-CD1 4.22Å
1100L91.9Very high88.8Confident45 Ų4554.6 Ų54.624%0.23634%0.337CS..EExtended strand (participates in β ladder)trans-80.6124164.5173.563000107.8C1107 V1109 N1121 Y1123L1100-C1107 PolarHBondContact N-O 3.49Å; L1100-C1107 PolarHBondContact O-N 2.83Å; L1100-V1109 HydrophobicContact CB-CG2 4.17Å; L1100-N1121 HydrophobicContact CD1-CB 3.74Å; L1100-Y1123 HydrophobicContact CB-CD1 4.31Å; L1100-Y1123 HydrophobicContact CB-CE1 4.26Å; L1100-Y1123 HydrophobicContact CD1-CD1 4.25Å; L1100-Y1123 HydrophobicContact CD1-CE1 3.91Å
1101I89.4Confident88.7Confident3 Ų356.3 Ų56.32%0.01535%0.352CS..EExtended strand (participates in β ladder)trans-88.9138.9177.4-48.1-54.5000108.3W1099 D1106 T1122 A1124 I1157 L1162 L1166W1099-I1101 HydrophobicContact CB-CD1 4.32Å; I1101-D1106 HydrophobicContact CD1-CB 4.21Å; I1101-D1106 VanDerWaalsContact CD1-OD1 3.3Å; I1101-D1106 WeakPolarHBondContact CD1-OD1 3.37Å; I1101-T1122 HydrophobicContact CB-CG2 4.39Å; I1101-T1122 WeakPolarHBondContact CB-O 3.37Å; I1101-T1122 HydrophobicContact CG1-CG2 4.37Å; I1101-T1122 PolarHBondContact N-O 3.46Å; I1101-A1124 HydrophobicContact CD1-CB 3.82Å; I1101-A1124 HydrophobicContact CG1-CB 4.34Å; I1101-I1157 HydrophobicContact CG2-CG2 4.09Å; I1101-I1157 VanDerWaalsContact O-CD1 3.24Å; I1101-I1157 WeakPolarHBondContact O-CD1 3.42Å; I1101-L1162 HydrophobicContact CD1-CD2 3.47Å; I1101-L1162 VanDerWaalsContact CD1-CD2 3.47Å; I1101-L1162 HydrophobicContact CG1-CD2 3.79Å; I1101-L1162 HydrophobicContact CG2-CD2 4.35Å; I1101-L1166 HydrophobicContact CD1-CD2 4.3Å
1102S83.1Confident88.3Confident54 Ų5462 Ų6238%0.37838%0.378SS..  trans-150.2157.9-179-71.30000110.6G1104 G1105S1102-G1104 PolarHBondContact O-N 2.91Å; S1102-G1105 PolarHBondContact N-O 2.93Å; S1102-G1105 PolarHBondContact O-N 3.31Å
1103E76Confident88.2Confident187 Ų18760.3 Ų60.387%0.87437%0.366SS*.THydrogen-bonded Turntrans-59.1-19.7-177.1-63174.7-178.500113.7
1104G68.7Low88.1Confident87 Ų8760.7 Ų60.790%0.89737%0.366SS*.THydrogen-bonded Turntrans-98.84.6174.200000115.9S1102S1102-G1104 PolarHBondContact O-N 2.91Å
1105G78.3Confident88Confident36 Ų3657.5 Ų57.537%0.37135%0.347SS..  trans123.2-178.4179.600000115.3S1102S1102-G1105 PolarHBondContact N-O 2.93Å; S1102-G1105 PolarHBondContact O-N 3.31Å
1106D84.8Confident88Confident35 Ų3555.7 Ų55.719%0.18733%0.333CS..  trans-96.8126.3-170.9-54.4-22.6000112W1099 I1101 S1163W1099-D1106 HydrophobicContact CB-CB 4.41Å; I1101-D1106 HydrophobicContact CD1-CB 4.21Å; I1101-D1106 VanDerWaalsContact CD1-OD1 3.3Å; I1101-D1106 WeakPolarHBondContact CD1-OD1 3.37Å; D1106-S1163 WeakPolarHBondContact OD2-CB 3.25Å; D1106-S1163 PolarHBondContact OD2-N 2.92Å; D1106-S1163 PolarHBondContact OD2-OG 3.34Å
1107C88.5Confident88Confident80 Ų8054.3 Ų54.354%0.54133%0.325SS..EExtended strand (participates in β ladder)trans-108.4118.5178.1-750000111.3W1099 L1100 V1109W1099-C1107 CarbonylContact C-O 3.52Å; W1099-C1107 WeakPolarHBondContact CA-O 3.31Å; L1100-C1107 PolarHBondContact N-O 3.49Å; L1100-C1107 PolarHBondContact O-N 2.83Å; C1107-V1109 PolarHBondContact O-N 3.37Å
1108E92.2Very high87.9Confident107 Ų10751.8 Ų51.850%0.532%0.315SS..EExtended strand (participates in β ladder)trans-64.8127.7175.7-166170.117900110.8K1097 W1099K1097-E1108 IonicContact NZ-OE1 3.5Å; K1097-E1108 PolarHBondContact NZ-OE1 3.01Å; K1097-E1108 IonicContact NZ-OE2 3.78Å; K1097-E1108 PolarHBondContact NZ-OE2 2.96Å; W1099-E1108 VanDerWaalsContact CD1-CA 3.44Å; W1099-E1108 HydrophobicContact CG-CB 4.44Å
1109V91.4Very high87.8Confident33 Ų3351.9 Ų51.920%0.232%0.315CS..PPolyproline II helixtrans-82.8140.3-177.3174.60000109.7V1098 L1100 C1107 Y1123V1098-V1109 HydrophobicContact CB-CB 4.1Å; V1098-V1109 HydrophobicContact CB-CG2 4.46Å; V1098-V1109 HydrophobicContact CG1-CB 4.11Å; V1098-V1109 HydrophobicContact CG1-CG2 3.97Å; V1098-V1109 PolarHBondContact O-N 3.44Å; L1100-V1109 HydrophobicContact CB-CG2 4.17Å; C1107-V1109 PolarHBondContact O-N 3.37Å; V1109-Y1123 HydrophobicContact CG2-CD1 4.45Å; V1109-Y1123 HydrophobicContact CG2-CE1 4.47Å
1110A89.4Confident87.6Confident48 Ų4852 Ų5240%0.39732%0.322SS..PPolyproline II helixtrans-60.6144-178.400000112.1E1112 S1113A1110-E1112 PolarHBondContact O-N 3.03Å; A1110-S1113 CarbonylContact O-C 3.57Å; A1110-S1113 WeakPolarHBondContact O-CA 3.27Å; A1110-S1113 WeakPolarHBondContact O-CB 3.27Å; A1110-S1113 PolarHBondContact O-N 3.03Å
1111P86.9Confident87.5Confident112 Ų11252.5 Ų52.573%0.72733%0.325SS*.G310 helixtrans-57.8-30.1179.8-26.635.7000114.5S1113 L1114P1111-S1113 PolarHBondContact O-N 3.18Å; P1111-L1114 VanDerWaalsContact O-CB 3.28Å; P1111-L1114 WeakPolarHBondContact O-CB 3.29Å; P1111-L1114 PolarHBondContact O-N 2.86Å
1112E84.7Confident87.7Confident123 Ų12352.4 Ų52.458%0.57533%0.325SS*.G310 helixtrans-67.3-25.6174.8-5980.2-178.200112.5A1110A1110-E1112 PolarHBondContact O-N 3.03Å
1113S88.4Confident88.2Confident12 Ų1250.6 Ų50.68%0.08431%0.31CS..G310 helixtrans-94.714.6177.5-61.50000112.8A1110 P1111 G1115 Q1116 E1278A1110-S1113 CarbonylContact O-C 3.57Å; A1110-S1113 WeakPolarHBondContact O-CA 3.27Å; A1110-S1113 WeakPolarHBondContact O-CB 3.27Å; A1110-S1113 PolarHBondContact O-N 3.03Å; P1111-S1113 PolarHBondContact O-N 3.18Å; S1113-G1115 PolarHBondContact O-N 3.38Å; S1113-Q1116 VanDerWaalsContact O-CB 3.27Å; S1113-Q1116 WeakPolarHBondContact O-CB 3.09Å; S1113-Q1116 WeakPolarHBondContact O-CG 3.37Å; S1113-Q1116 PolarHBondContact O-N 3.3Å; S1113-Q1116 VanDerWaalsContact O-N 3.09Å; S1113-E1278 WeakPolarHBondContact CB-OE1 3.41Å; S1113-E1278 PolarHBondContact OG-OE1 3.19Å
1114L91.6Very high89Confident64 Ų6441.7 Ų41.734%0.33527%0.268SS..THydrogen-bonded Turntrans-61.5124.2176.9-177.761000111.1V1096 V1098 P1111 Q1116 F1189V1096-L1114 HydrophobicContact CB-CD1 4.49Å; V1096-L1114 HydrophobicContact CG1-CD1 4.02Å; V1098-L1114 HydrophobicContact CG2-CD1 3.6Å; P1111-L1114 VanDerWaalsContact O-CB 3.28Å; P1111-L1114 WeakPolarHBondContact O-CB 3.29Å; P1111-L1114 PolarHBondContact O-N 2.86Å; L1114-Q1116 VanDerWaalsContact C-N 3.31Å; L1114-Q1116 PolarHBondContact O-NE2 2.83Å; L1114-F1189 HydrophobicContact CD1-CD1 4.19Å; L1114-F1189 HydrophobicContact CD1-CE1 4.03Å; L1114-F1189 HydrophobicContact CG-CD1 4.17Å; L1114-F1189 HydrophobicContact CG-CE1 4.5Å
1115G92.3Very high90.3Very high1 Ų137.5 Ų37.51%0.0123%0.226CC..THydrogen-bonded Turntrans77.210.6-177.300000115.3S1113 F1189 M1193 V1194S1113-G1115 PolarHBondContact O-N 3.38Å; G1115-F1189 VanDerWaalsContact CA-CE1 3.47Å; G1115-M1193 WeakPolarHBondContact O-CA 3.49Å; G1115-V1194 PolarHBondContact O-N 3.25Å
1116Q94.2Very high91Very high8 Ų838 Ų384%0.03722%0.216CC..EExtended strand (participates in β ladder)trans-94.393.4178.3-54.3-46-64.400109.5S1113 L1114 G1192 Y1196 P1276 E1278S1113-Q1116 VanDerWaalsContact O-CB 3.27Å; S1113-Q1116 WeakPolarHBondContact O-CB 3.09Å; S1113-Q1116 WeakPolarHBondContact O-CG 3.37Å; S1113-Q1116 PolarHBondContact O-N 3.3Å; S1113-Q1116 VanDerWaalsContact O-N 3.09Å; L1114-Q1116 VanDerWaalsContact C-N 3.31Å; L1114-Q1116 PolarHBondContact O-NE2 2.83Å; Q1116-G1192 PolarHBondContact NE2-O 3.12Å; Q1116-G1192 VanDerWaalsContact NE2-O 3.09Å; Q1116-Y1196 HydrophobicContact CB-CE2 4.05Å; Q1116-Y1196 PolarHBondContact OE1-OH 3.36Å; Q1116-P1276 HydrophobicContact CG-CB 3.78Å; Q1116-E1278 HydrophobicContact CB-CG 4.15Å
1117L94.7Very high91.5Very high1 Ų136.3 Ų36.31%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-109.6154.1-171-53.1-179.5000111.2Y1123 W1150 F1185 M1193 V1194 Y1196L1117-Y1123 HydrophobicContact CB-CE2 4.19Å; L1117-Y1123 HydrophobicContact CD2-CD1 4.04Å; L1117-Y1123 HydrophobicContact CD2-CD2 3.84Å; L1117-Y1123 HydrophobicContact CD2-CE1 4.23Å; L1117-Y1123 HydrophobicContact CD2-CE2 4.04Å; L1117-Y1123 HydrophobicContact CD2-CG 3.83Å; L1117-W1150 HydrophobicContact CB-CE3 4.39Å; L1117-W1150 HydrophobicContact CB-CH2 4.05Å; L1117-W1150 HydrophobicContact CB-CZ2 4.41Å; L1117-W1150 HydrophobicContact CB-CZ3 4.03Å; L1117-W1150 HydrophobicContact CD1-CD2 3.78Å; L1117-W1150 HydrophobicContact CD1-CE3 4.15Å; L1117-W1150 HydrophobicContact CD1-CG 4.1Å; L1117-W1150 HydrophobicContact CD1-CZ2 4.22Å; L1117-F1185 HydrophobicContact CD1-CZ 4.43Å; L1117-M1193 HydrophobicContact CD1-CE 4.18Å; L1117-V1194 PolarHBondContact N-O 2.94Å; L1117-Y1196 WeakPolarHBondContact O-CD2 3.43Å; L1117-Y1196 PolarHBondContact O-N 3.31Å
1118N92.1Very high91.7Very high22 Ų2233 Ų3312%0.11818%0.184CC..EExtended strand (participates in β ladder)trans-126.7137.7177.6-170.8-83.2000111.5G1120 N1121 Y1123 W1150 R1197N1118-G1120 PolarHBondContact O-N 3.06Å; N1118-G1120 VanDerWaalsContact O-N 3.13Å; N1118-G1120 PolarHBondContact OD1-N 3.43Å; N1118-N1121 HydrophobicContact CB-CB 4.36Å; N1118-N1121 PolarHBondContact O-N 3.19Å; N1118-Y1123 PolarHBondContact N-OH 2.62Å; N1118-W1150 WeakPolarHBondContact O-CZ3 3.44Å; N1118-R1197 PolarHBondContact ND2-O 3.01Å
1119E91.5Very high91.8Very high10 Ų1027.9 Ų27.95%0.04716%0.161CC..THydrogen-bonded Turntrans-59.2-23.3-177.968.5174.3-177.600114.5G1152 R1153 H1154 S1155 E1178 Y1196 R1197 Q1198E1119-G1152 CarbonylContact O-C 3.52Å; E1119-G1152 WeakPolarHBondContact O-CA 3.16Å; E1119-R1153 HydrophobicContact CB-CG 4.2Å; E1119-R1153 PolarHBondContact O-N 2.9Å; E1119-R1153 IonicContact OE2-NH1 2.74Å; E1119-H1154 CarbonylContact O-C 3.54Å; E1119-H1154 WeakPolarHBondContact O-CA 3.46Å; E1119-H1154 PolarHBondContact O-N 2.87Å; E1119-H1154 IonicContact OE1-CE1 3.49Å; E1119-H1154 IonicContact OE1-ND1 3.28Å; E1119-H1154 PolarHBondContact OE1-ND1 2.84Å; E1119-H1154 IonicContact OE2-CE1 2.67Å; E1119-H1154 PolarHBondContact OE2-CE1 3.42Å; E1119-H1154 IonicContact OE2-ND1 3.39Å; E1119-H1154 PolarHBondContact OE2-ND1 2.84Å; E1119-S1155 PolarHBondContact O-N 2.94Å; E1119-E1178 WeakPolarHBondContact CB-OE2 3.47Å; E1119-Y1196 PolarHBondContact N-O 3.09Å; E1119-R1197 WeakPolarHBondContact OE1-CA 3.36Å; E1119-R1197 WeakPolarHBondContact OE1-CG 3.41Å; E1119-Q1198 WeakPolarHBondContact OE1-CG 3.25Å; E1119-Q1198 PolarHBondContact OE1-N 3.23Å
1120G89Confident91.8Very high23 Ų2326.8 Ų26.824%0.23716%0.155CC..THydrogen-bonded Turntrans-82.5-11.1175.500000114.8N1118 S1155N1118-G1120 PolarHBondContact O-N 3.06Å; N1118-G1120 VanDerWaalsContact O-N 3.13Å; N1118-G1120 PolarHBondContact OD1-N 3.43Å; G1120-S1155 WeakPolarHBondContact O-CA 3.1Å; G1120-S1155 WeakPolarHBondContact O-CB 3.42Å; G1120-S1155 PolarHBondContact O-OG 2.91Å
1121N91.3Very high91.8Very high56 Ų5624.9 Ų24.930%0.29914%0.138SC..  trans-111.1158.8-167.3-72.8-11.5000112.8L1100 N1118 Y1123 G1152 S1155L1100-N1121 HydrophobicContact CD1-CB 3.74Å; N1118-N1121 HydrophobicContact CB-CB 4.36Å; N1118-N1121 PolarHBondContact O-N 3.19Å; N1121-Y1123 HydrophobicContact CB-CD2 4.12Å; N1121-Y1123 HydrophobicContact CB-CE2 3.35Å; N1121-Y1123 PolarHBondContact ND2-OH 3.38Å; N1121-G1152 PolarHBondContact O-N 3.13Å; N1121-S1155 WeakPolarHBondContact CA-OG 3.43Å
1122T93Very high91.9Very high1 Ų122 Ų221%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-115.7135.6169.7-64.70000108.4I1101 I1149 W1150 S1155 I1157I1101-T1122 HydrophobicContact CB-CG2 4.39Å; I1101-T1122 WeakPolarHBondContact CB-O 3.37Å; I1101-T1122 HydrophobicContact CG1-CG2 4.37Å; I1101-T1122 PolarHBondContact N-O 3.46Å; T1122-I1149 HydrophobicContact CG2-CG2 4.24Å; T1122-W1150 WeakPolarHBondContact CA-O 3.44Å; T1122-S1155 PolarHBondContact N-OG 3.35Å; T1122-S1155 WeakPolarHBondContact OG1-CB 3.44Å; T1122-S1155 PolarHBondContact OG1-OG 3.09Å; T1122-I1157 HydrophobicContact CG2-CG2 4.35Å
1123Y94Very high91.7Very high16 Ų1618.6 Ų18.66%0.06311%0.111CC..EExtended strand (participates in β ladder)trans-128.8142.7-176.6-61-101.1000110.4V1098 W1099 L1100 V1109 L1117 N1118 N1121 I1149 W1150V1098-Y1123 HydrophobicContact CG1-CD1 4Å; W1099-Y1123 CarbonylContact O-C 3.59Å; W1099-Y1123 WeakPolarHBondContact O-CA 3.36Å; L1100-Y1123 HydrophobicContact CB-CD1 4.31Å; L1100-Y1123 HydrophobicContact CB-CE1 4.26Å; L1100-Y1123 HydrophobicContact CD1-CD1 4.25Å; L1100-Y1123 HydrophobicContact CD1-CE1 3.91Å; V1109-Y1123 HydrophobicContact CG2-CD1 4.45Å; V1109-Y1123 HydrophobicContact CG2-CE1 4.47Å; L1117-Y1123 HydrophobicContact CB-CE2 4.19Å; L1117-Y1123 HydrophobicContact CD2-CD1 4.04Å; L1117-Y1123 HydrophobicContact CD2-CD2 3.84Å; L1117-Y1123 HydrophobicContact CD2-CE1 4.23Å; L1117-Y1123 HydrophobicContact CD2-CE2 4.04Å; L1117-Y1123 HydrophobicContact CD2-CG 3.83Å; N1118-Y1123 PolarHBondContact N-OH 2.62Å; N1121-Y1123 HydrophobicContact CB-CD2 4.12Å; N1121-Y1123 HydrophobicContact CB-CE2 3.35Å; N1121-Y1123 PolarHBondContact ND2-OH 3.38Å; Y1123-I1149 CarbonylContact O-C 3.47Å; Y1123-W1150 AromaticContact CD2-CE3 3.81Å; Y1123-W1150 HydrophobicContact CD2-CE3 3.81Å; Y1123-W1150 HydrophobicContact CD2-CZ3 4.07Å; Y1123-W1150 HydrophobicContact CE2-CE3 4.36Å; Y1123-W1150 HydrophobicContact CE2-CZ3 4.17Å; Y1123-W1150 PolarHBondContact N-O 3.5Å; Y1123-W1150 PolarHBondContact O-N 3.37Å
1124A92.9Very high90.7Very high0 Ų022.2 Ų22.20%014%0.136CC..EExtended strand (participates in β ladder)trans-100.3133.916400000109.6V1098 W1099 I1101 V1147 F1148 L1162 L1166V1098-A1124 CarbonylContact C-O 3.6Å; V1098-A1124 WeakPolarHBondContact CA-O 3.28Å; W1099-A1124 PolarHBondContact N-O 3.01Å; W1099-A1124 PolarHBondContact O-N 3.36Å; I1101-A1124 HydrophobicContact CD1-CB 3.82Å; I1101-A1124 HydrophobicContact CG1-CB 4.34Å; A1124-V1147 HydrophobicContact CB-CG1 3.89Å; A1124-F1148 CarbonylContact C-O 3.57Å; A1124-F1148 WeakPolarHBondContact CA-O 3.44Å; A1124-L1162 HydrophobicContact CB-CD2 4.11Å; A1124-L1166 HydrophobicContact CB-CD2 3.5Å; A1124-L1166 VanDerWaalsContact CB-CD2 3.5Å
1125I94.3Very high89.4Confident0 Ų023.1 Ų23.10%016%0.161CC..EExtended strand (participates in β ladder)trans-122.7104.1-179.5-58.480.6000107.3V1096 K1097 V1098 V1147 F1148 W1150 F1185 L1188 F1189V1096-I1125 HydrophobicContact CG1-CG2 3.66Å; K1097-I1125 CarbonylContact O-C 3.57Å; K1097-I1125 VanDerWaalsContact O-CA 3.32Å; K1097-I1125 WeakPolarHBondContact O-CA 3.47Å; V1098-I1125 HydrophobicContact CG1-CG1 4.27Å; V1098-I1125 HydrophobicContact CG2-CB 4.49Å; V1098-I1125 HydrophobicContact CG2-CG1 4.01Å; V1098-I1125 HydrophobicContact CG2-CG2 4.18Å; I1125-V1147 WeakPolarHBondContact O-CA 3.48Å; I1125-F1148 HydrophobicContact CB-CB 4.3Å; I1125-F1148 PolarHBondContact N-O 3.34Å; I1125-F1148 PolarHBondContact O-N 2.95Å; I1125-W1150 HydrophobicContact CD1-CB 3.77Å; I1125-F1185 HydrophobicContact CB-CE2 4.23Å; I1125-F1185 HydrophobicContact CD1-CE2 3.88Å; I1125-F1185 HydrophobicContact CD1-CZ 4.11Å; I1125-F1185 HydrophobicContact CG1-CE2 3.98Å; I1125-F1185 HydrophobicContact CG1-CZ 4.37Å; I1125-L1188 HydrophobicContact CG2-CD1 4.19Å; I1125-F1189 HydrophobicContact CG1-CZ 4.48Å; I1125-F1189 HydrophobicContact CG2-CZ 4.44Å
1126R93.9Very high87.7Confident45 Ų4527.7 Ų27.717%0.1719%0.185CC..EExtended strand (participates in β ladder)trans-81.7121.8173.5-173.117186-174.922.3109.2V1096 K1097 W1099 A1146 V1147 E1169 C1170V1096-R1126 WeakPolarHBondContact CA-O 3.39Å; K1097-R1126 PolarHBondContact N-O 2.79Å; K1097-R1126 PolarHBondContact O-N 3.2Å; W1099-R1126 HydrophobicContact CH2-CB 3.82Å; W1099-R1126 HydrophobicContact CZ3-CB 3.47Å; W1099-R1126 VanDerWaalsContact CZ3-CB 3.47Å; R1126-A1146 WeakPolarHBondContact CA-O 3.2Å; R1126-V1147 HydrophobicContact CB-CG2 4.36Å; R1126-V1147 HydrophobicContact CG-CG2 4.43Å; R1126-E1169 IonicContact CZ-OE2 3.59Å; R1126-E1169 IonicContact NH1-OE2 2.65Å; R1126-E1169 PolarHBondContact NH1-OE2 3.49Å; R1126-E1169 IonicContact NH2-OE2 2.79Å; R1126-C1170 WeakPolarHBondContact CD-SG 3.33Å
1127W94.9Very high85.9Confident0 Ų037.2 Ų37.20%023%0.23CC..EExtended strand (participates in β ladder)trans-106.9115.5173178.537.6000109.2L1069 V1074 L1091 T1093 Y1129 S1145 A1146 F1148 L1188L1069-W1127 HydrophobicContact CD1-CE3 3.83Å; L1069-W1127 HydrophobicContact CD1-CZ3 3.57Å; V1074-W1127 HydrophobicContact CB-CH2 4.22Å; V1074-W1127 HydrophobicContact CB-CZ3 4.35Å; V1074-W1127 HydrophobicContact CG1-CH2 4.48Å; V1074-W1127 HydrophobicContact CG1-CZ3 4.38Å; V1074-W1127 HydrophobicContact CG2-CH2 4.26Å; V1074-W1127 HydrophobicContact CG2-CZ3 4.05Å; L1091-W1127 HydrophobicContact CD1-CH2 4.3Å; L1091-W1127 HydrophobicContact CD2-CH2 3.86Å; L1091-W1127 HydrophobicContact CD2-CZ2 3.6Å; T1093-W1127 PolarHBondContact OG1-NE1 2.95Å; W1127-Y1129 HydrophobicContact CD2-CD1 4.04Å; W1127-Y1129 HydrophobicContact CE3-CD1 4.01Å; W1127-Y1129 HydrophobicContact CE3-CE1 4.43Å; W1127-Y1129 HydrophobicContact CH2-CG 4.49Å; W1127-Y1129 HydrophobicContact CZ2-CG 4.36Å; W1127-Y1129 HydrophobicContact CZ3-CD1 4.28Å; W1127-S1145 WeakPolarHBondContact O-CA 3.42Å; W1127-A1146 PolarHBondContact N-O 2.86Å; W1127-A1146 PolarHBondContact O-N 3.25Å; W1127-F1148 HydrophobicContact CB-CD2 4.3Å; W1127-F1148 HydrophobicContact CB-CE2 3.91Å; W1127-F1148 HydrophobicContact CD2-CE2 4.17Å; W1127-F1148 AromaticContact CE3-CE2 3.62Å; W1127-F1148 HydrophobicContact CE3-CE2 3.62Å; W1127-F1148 AromaticContact CE3-CZ 3.82Å; W1127-F1148 HydrophobicContact CE3-CZ 3.82Å; W1127-F1148 HydrophobicContact CG-CE2 4.35Å; W1127-F1148 HydrophobicContact CZ3-CE2 4.45Å; W1127-F1148 HydrophobicContact CZ3-CZ 4.23Å; W1127-L1188 HydrophobicContact CB-CD1 4.23Å; W1127-L1188 HydrophobicContact CB-CD2 4.48Å; W1127-L1188 VanDerWaalsContact CD1-CD2 3.41Å; W1127-L1188 HydrophobicContact CD2-CD2 3.89Å; W1127-L1188 HydrophobicContact CG-CD1 4.28Å; W1127-L1188 HydrophobicContact CG-CD2 3.71Å; W1127-L1188 HydrophobicContact CZ2-CD2 4.37Å; W1127-L1188 VanDerWaalsContact NE1-CD2 3.34Å
1128T94Very high83.9Confident10 Ų1042.4 Ų42.46%0.06127%0.266CS..EExtended strand (participates in β ladder)trans-99.6126.2169.2-55.60000108.2V1094 S1095 R1144 S1145V1094-T1128 HydrophobicContact CB-CG2 4.14Å; V1094-T1128 HydrophobicContact CG1-CG2 4.41Å; V1094-T1128 PolarHBondContact N-O 3.21Å; S1095-T1128 PolarHBondContact N-O 2.96Å; S1095-T1128 PolarHBondContact O-N 3.16Å; T1128-R1144 VanDerWaalsContact CA-O 3.32Å; T1128-R1144 WeakPolarHBondContact CA-O 3.48Å; T1128-S1145 WeakPolarHBondContact CG2-OG 3.19Å; T1128-S1145 PolarHBondContact OG1-OG 2.76Å
1129Y93.2Very high82.3Confident0 Ų043.3 Ų43.30%028%0.277CS..EExtended strand (participates in β ladder)trans-132.8153.3-176.563.6-82.2000110.3L1069 L1091 S1092 W1127 L1131 E1143 R1144L1069-Y1129 WeakPolarHBondContact CB-OH 3.42Å; L1069-Y1129 HydrophobicContact CD1-CE1 4.07Å; L1091-Y1129 HydrophobicContact CD1-CD2 4.22Å; L1091-Y1129 HydrophobicContact CD1-CE2 4.49Å; L1091-Y1129 HydrophobicContact CD2-CD2 4.2Å; L1091-Y1129 HydrophobicContact CD2-CG 4.42Å; L1091-Y1129 HydrophobicContact CG-CD2 4.05Å; S1092-Y1129 CarbonylContact O-C 3.49Å; S1092-Y1129 VanDerWaalsContact O-CA 3.24Å; S1092-Y1129 WeakPolarHBondContact O-CA 3.41Å; S1092-Y1129 WeakPolarHBondContact O-CB 2.99Å; W1127-Y1129 HydrophobicContact CD2-CD1 4.04Å; W1127-Y1129 HydrophobicContact CE3-CD1 4.01Å; W1127-Y1129 HydrophobicContact CE3-CE1 4.43Å; W1127-Y1129 HydrophobicContact CH2-CG 4.49Å; W1127-Y1129 HydrophobicContact CZ2-CG 4.36Å; W1127-Y1129 HydrophobicContact CZ3-CD1 4.28Å; Y1129-L1131 HydrophobicContact CD2-CD2 4.22Å; Y1129-L1131 HydrophobicContact CD2-CG 4.2Å; Y1129-L1131 HydrophobicContact CE2-CD1 4.18Å; Y1129-L1131 HydrophobicContact CE2-CD2 4.23Å; Y1129-L1131 HydrophobicContact CE2-CG 4.07Å; Y1129-E1143 CarbonylContact O-C 3.5Å; Y1129-E1143 WeakPolarHBondContact O-CA 3.1Å; Y1129-R1144 HydrophobicContact CD1-CB 4.38Å; Y1129-R1144 HydrophobicContact CD2-CB 4.46Å; Y1129-R1144 HydrophobicContact CE1-CB 3.82Å; Y1129-R1144 HydrophobicContact CE2-CB 3.94Å; Y1129-R1144 HydrophobicContact CE2-CG 4.45Å; Y1129-R1144 PolarHBondContact N-O 3.35Å; Y1129-R1144 PolarHBondContact O-N 2.86Å
1130S91.8Very high80.8Confident11 Ų1150.9 Ų50.98%0.07732%0.317CS..EExtended strand (participates in β ladder)trans-113.4144.6173.584.30000111S1092 Q1142S1092-S1130 PolarHBondContact N-O 2.89Å; S1092-S1130 VanDerWaalsContact N-O 3.09Å; S1092-S1130 PolarHBondContact O-N 2.83Å; S1092-S1130 PolarHBondContact OG-OG 2.85Å; S1130-Q1142 WeakPolarHBondContact CA-O 3.34Å
1131L89.8Confident80Confident7 Ų752.3 Ų52.34%0.03733%0.326CS..EExtended strand (participates in β ladder)trans-112116.7172.4-62.6176.5000108.8V1072 V1081 F1083 A1089 L1091 Y1129 Q1142V1072-L1131 HydrophobicContact CG2-CD1 4.42Å; V1081-L1131 HydrophobicContact CG2-CD2 3.79Å; F1083-L1131 HydrophobicContact CE1-CD1 3.77Å; F1083-L1131 HydrophobicContact CZ-CB 4.34Å; F1083-L1131 HydrophobicContact CZ-CD1 3.82Å; A1089-L1131 HydrophobicContact CB-CB 4.12Å; A1089-L1131 HydrophobicContact CB-CD2 4.49Å; L1091-L1131 HydrophobicContact CB-CD2 3.89Å; L1091-L1131 HydrophobicContact CD1-CD2 3.95Å; L1091-L1131 HydrophobicContact CG-CD2 3.67Å; Y1129-L1131 HydrophobicContact CD2-CD2 4.22Å; Y1129-L1131 HydrophobicContact CD2-CG 4.2Å; Y1129-L1131 HydrophobicContact CE2-CD1 4.18Å; Y1129-L1131 HydrophobicContact CE2-CD2 4.23Å; Y1129-L1131 HydrophobicContact CE2-CG 4.07Å; L1131-Q1142 PolarHBondContact N-O 2.85Å; L1131-Q1142 PolarHBondContact O-N 3.47Å
1132T87.2Confident79.5Confident53 Ų5354.6 Ų54.633%0.32534%0.335SS..EExtended strand (participates in β ladder)trans-104.6115.7175.245.50000109.8A1089 D1090 S1134 A1141A1089-T1132 CarbonylContact C-O 3.52Å; A1089-T1132 WeakPolarHBondContact CA-O 3.26Å; A1089-T1132 WeakPolarHBondContact CB-O 3.31Å; D1090-T1132 PolarHBondContact N-O 3.36Å; D1090-T1132 PolarHBondContact O-N 2.84Å; D1090-T1132 VanDerWaalsContact O-N 3.13Å; D1090-T1132 PolarHBondContact O-OG1 3.11Å; T1132-S1134 PolarHBondContact O-N 2.89Å; T1132-A1141 HydrophobicContact CG2-CB 3.64Å
1133A80.9Confident79.2Confident50 Ų5060.5 Ų60.541%0.41336%0.363SS..EExtended strand (participates in β ladder)trans-65.6125.9-177.800000111G1135 A1139A1133-G1135 PolarHBondContact O-N 3.12Å; A1133-A1139 HydrophobicContact CB-CB 4.3Å
1134S67.9Low79.1Confident89 Ų8961.8 Ų61.862%0.62237%0.367SS*.THydrogen-bonded Turntrans-75118-177.1-166.40000110.7Q1088 T1132Q1088-S1134 PolarHBondContact O-N 2.99Å; T1132-S1134 PolarHBondContact O-N 2.89Å
1135G64.2Low79Confident83 Ų8362.8 Ų62.886%0.85638%0.375SS*.THydrogen-bonded Turntrans107.61.3174.100000116.9A1133A1133-G1135 PolarHBondContact O-N 3.12Å
1136D56.4Low78.9Confident96 Ų9662.8 Ų62.851%0.51338%0.375SS..  trans-130.990.7177.5-169.1-5.1000111S1138 A1139D1136-S1138 PolarHBondContact O-N 3.32Å; D1136-S1138 PolarHBondContact OD1-N 3.22Å; D1136-A1139 HydrophobicContact CB-CB 4.12Å; D1136-A1139 WeakPolarHBondContact O-CB 3.17Å; D1136-A1139 PolarHBondContact O-N 3.16Å
1137E56.1Low78.9Confident208 Ų20860.7 Ų60.797%0.97237%0.367SS*.THydrogen-bonded Turntrans-66.5-3.5-176.2-64.4-166.9151.700114.3
1138S54Low78.8Confident110 Ų11060.7 Ų60.777%0.76937%0.367SS*.THydrogen-bonded Turntrans-101.8-1.3171.2-65.80000113.8D1136 L1140D1136-S1138 PolarHBondContact O-N 3.32Å; D1136-S1138 PolarHBondContact OD1-N 3.22Å; S1138-L1140 PolarHBondContact O-N 3.5Å
1139A57.4Low78.8Confident42 Ų4260.3 Ų60.335%0.34736%0.364SS..SBendtrans-77.4109.3174.700000110.9A1133 D1136 A1141A1133-A1139 HydrophobicContact CB-CB 4.3Å; D1136-A1139 HydrophobicContact CB-CB 4.12Å; D1136-A1139 WeakPolarHBondContact O-CB 3.17Å; D1136-A1139 PolarHBondContact O-N 3.16Å; A1139-A1141 PolarHBondContact O-N 2.7Å
1140L61.1Low78.9Confident168 Ų16860.3 Ų60.388%0.8836%0.364SS*.  trans-53.4128.5172.9-78141.6000110.8S1138 Q1142S1138-L1140 PolarHBondContact O-N 3.5Å; L1140-Q1142 PolarHBondContact O-N 3.37Å
1141A71.9Confident78.9Confident53 Ų5363 Ų6344%0.43838%0.375SS..  trans-56.6122.8176.600000110.3T1132 A1139 E1143T1132-A1141 HydrophobicContact CG2-CB 3.64Å; A1139-A1141 PolarHBondContact O-N 2.7Å; A1141-E1143 PolarHBondContact O-N 2.82Å
1142Q80Confident79Confident104 Ų10462.8 Ų62.849%0.48637%0.374SS..EExtended strand (participates in β ladder)trans-87.3105.7-179.7-168.2-17316.300109.9S1130 L1131 L1140 R1144S1130-Q1142 WeakPolarHBondContact CA-O 3.34Å; L1131-Q1142 PolarHBondContact N-O 2.85Å; L1131-Q1142 PolarHBondContact O-N 3.47Å; L1140-Q1142 PolarHBondContact O-N 3.37Å; Q1142-R1144 HydrophobicContact CG-CG 4.39Å; Q1142-R1144 VanDerWaalsContact OE1-NE 3.13Å
1143E88.2Confident78.9Confident126 Ų12663.9 Ų63.959%0.58937%0.372SS*.EExtended strand (participates in β ladder)trans-69.7140.9167.1-64.3-169.1174.700111.4V1094 Y1129 A1141V1094-E1143 HydrophobicContact CG2-CG 4.46Å; Y1129-E1143 CarbonylContact O-C 3.5Å; Y1129-E1143 WeakPolarHBondContact O-CA 3.1Å; A1141-E1143 PolarHBondContact O-N 2.82Å
1144R90.2Very high79.2Confident42 Ų4265.1 Ų65.116%0.15837%0.369CS..EExtended strand (participates in β ladder)trans-141.5156176.3-61-174-175.7-164.92.3109.3D1070 T1128 Y1129 Q1142D1070-R1144 PolarHBondContact O-NH1 2.58Å; T1128-R1144 VanDerWaalsContact CA-O 3.32Å; T1128-R1144 WeakPolarHBondContact CA-O 3.48Å; Y1129-R1144 HydrophobicContact CD1-CB 4.38Å; Y1129-R1144 HydrophobicContact CD2-CB 4.46Å; Y1129-R1144 HydrophobicContact CE1-CB 3.82Å; Y1129-R1144 HydrophobicContact CE2-CB 3.94Å; Y1129-R1144 HydrophobicContact CE2-CG 4.45Å; Y1129-R1144 PolarHBondContact N-O 3.35Å; Y1129-R1144 PolarHBondContact O-N 2.86Å; Q1142-R1144 HydrophobicContact CG-CG 4.39Å; Q1142-R1144 VanDerWaalsContact OE1-NE 3.13Å
1145S91.3Very high80.1Confident22 Ų2261.3 Ų61.315%0.15434%0.342CS..EExtended strand (participates in β ladder)trans-135.5132179.4-68.10000112.4W1127 T1128 C1170 S1171W1127-S1145 WeakPolarHBondContact O-CA 3.42Å; T1128-S1145 WeakPolarHBondContact CG2-OG 3.19Å; T1128-S1145 PolarHBondContact OG1-OG 2.76Å; S1145-C1170 WeakPolarHBondContact O-CA 3.37Å; S1145-C1170 WeakPolarHBondContact O-CB 3.38Å; S1145-S1171 PolarHBondContact O-N 3.45Å; S1145-S1171 PolarHBondContact O-OG 3.26Å
1146A92.8Very high81Confident0 Ų064.4 Ų64.40%034%0.339CS..EExtended strand (participates in β ladder)trans-128.1156.3175.100000111L1069 R1126 W1127 A1172L1069-A1146 HydrophobicContact CD1-CB 3.78Å; L1069-A1146 HydrophobicContact CD2-CB 4.22Å; R1126-A1146 WeakPolarHBondContact CA-O 3.2Å; W1127-A1146 PolarHBondContact N-O 2.86Å; W1127-A1146 PolarHBondContact O-N 3.25Å; A1146-A1172 CarbonylContact C-O 3.51Å; A1146-A1172 VanDerWaalsContact CA-O 3.29Å; A1146-A1172 WeakPolarHBondContact CA-O 3.35Å; A1146-A1172 HydrophobicContact CB-CB 4.1Å
1147V93Very high82Confident1 Ų161.1 Ų61.11%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-113.7124.4175.9-178.80000110.5A1124 I1125 R1126 I1149 C1170 A1172 Q1173 V1174A1124-V1147 HydrophobicContact CB-CG1 3.89Å; I1125-V1147 WeakPolarHBondContact O-CA 3.48Å; R1126-V1147 HydrophobicContact CB-CG2 4.36Å; R1126-V1147 HydrophobicContact CG-CG2 4.43Å; V1147-I1149 HydrophobicContact CG1-CG1 4.16Å; V1147-C1170 HydrophobicContact CG2-CB 3.83Å; V1147-C1170 VanDerWaalsContact CG2-SG 3.51Å; V1147-A1172 PolarHBondContact N-O 2.88Å; V1147-Q1173 CarbonylContact O-C 3.56Å; V1147-Q1173 WeakPolarHBondContact O-CA 3.19Å; V1147-V1174 PolarHBondContact O-N 3.22Å
1148F93.7Very high82.5Confident0 Ų054.2 Ų54.20%030%0.296CS..EExtended strand (participates in β ladder)trans-90.6129.7164-60.5-79.4000109.6V1067 A1124 I1125 W1127 V1174 I1176 F1185 L1188V1067-F1148 HydrophobicContact CG1-CE1 4.27Å; A1124-F1148 CarbonylContact C-O 3.57Å; A1124-F1148 WeakPolarHBondContact CA-O 3.44Å; I1125-F1148 HydrophobicContact CB-CB 4.3Å; I1125-F1148 PolarHBondContact N-O 3.34Å; I1125-F1148 PolarHBondContact O-N 2.95Å; W1127-F1148 HydrophobicContact CB-CD2 4.3Å; W1127-F1148 HydrophobicContact CB-CE2 3.91Å; W1127-F1148 HydrophobicContact CD2-CE2 4.17Å; W1127-F1148 AromaticContact CE3-CE2 3.62Å; W1127-F1148 HydrophobicContact CE3-CE2 3.62Å; W1127-F1148 AromaticContact CE3-CZ 3.82Å; W1127-F1148 HydrophobicContact CE3-CZ 3.82Å; W1127-F1148 HydrophobicContact CG-CE2 4.35Å; W1127-F1148 HydrophobicContact CZ3-CE2 4.45Å; W1127-F1148 HydrophobicContact CZ3-CZ 4.23Å; F1148-V1174 CarbonylContact C-O 3.6Å; F1148-V1174 VanDerWaalsContact CA-O 3.31Å; F1148-V1174 WeakPolarHBondContact CA-O 3.25Å; F1148-V1174 HydrophobicContact CD1-CB 3.75Å; F1148-V1174 HydrophobicContact CD1-CG1 3.95Å; F1148-V1174 HydrophobicContact CD1-CG2 4.45Å; F1148-V1174 HydrophobicContact CE1-CB 4.09Å; F1148-V1174 HydrophobicContact CE1-CG1 4.17Å; F1148-V1174 HydrophobicContact CE1-CG2 4.35Å; F1148-I1176 HydrophobicContact CB-CD1 4.05Å; F1148-I1176 HydrophobicContact CD1-CD1 3.6Å; F1148-I1176 HydrophobicContact CD1-CG1 4.45Å; F1148-I1176 HydrophobicContact CE1-CD1 4.4Å; F1148-I1176 HydrophobicContact CG-CD1 4.12Å; F1148-F1185 HydrophobicContact CB-CD2 3.75Å; F1148-F1185 HydrophobicContact CB-CE2 3.81Å; F1148-F1185 HydrophobicContact CD1-CD2 4.19Å; F1148-F1185 AromaticContact CD2-CD2 3.96Å; F1148-F1185 HydrophobicContact CD2-CD2 3.96Å; F1148-F1185 AromaticContact CG-CD2 3.71Å; F1148-F1185 HydrophobicContact CG-CD2 3.71Å; F1148-F1185 HydrophobicContact CG-CE2 4.28Å; F1148-L1188 HydrophobicContact CD2-CD1 4.03Å; F1148-L1188 HydrophobicContact CE2-CD1 3.91Å
1149I93.3Very high83Confident2 Ų249.1 Ų49.11%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-105.895.7177.8-54.9168.1000106.4T1122 Y1123 V1147 L1162 V1174 F1175 I1176T1122-I1149 HydrophobicContact CG2-CG2 4.24Å; Y1123-I1149 CarbonylContact O-C 3.47Å; V1147-I1149 HydrophobicContact CG1-CG1 4.16Å; I1149-L1162 HydrophobicContact CD1-CD1 3.61Å; I1149-L1162 HydrophobicContact CG1-CD1 3.97Å; I1149-V1174 PolarHBondContact N-O 3.24Å; I1149-F1175 HydrophobicContact CB-CD1 3.87Å; I1149-F1175 HydrophobicContact CB-CE1 4.13Å; I1149-F1175 HydrophobicContact CB-CG 4.44Å; I1149-F1175 HydrophobicContact CD1-CD1 3.97Å; I1149-F1175 HydrophobicContact CD1-CD2 4.44Å; I1149-F1175 HydrophobicContact CD1-CE1 3.48Å; I1149-F1175 VanDerWaalsContact CD1-CE1 3.48Å; I1149-F1175 HydrophobicContact CD1-CE2 3.99Å; I1149-F1175 HydrophobicContact CD1-CG 4.43Å; I1149-F1175 HydrophobicContact CD1-CZ 3.48Å; I1149-F1175 VanDerWaalsContact CD1-CZ 3.48Å; I1149-F1175 HydrophobicContact CG1-CE1 4.41Å; I1149-F1175 HydrophobicContact CG2-CD1 3.9Å; I1149-F1175 HydrophobicContact CG2-CE1 3.94Å; I1149-I1176 PolarHBondContact O-N 3.37Å
1150W94.9Very high83.3Confident0 Ų056.2 Ų56.20%028%0.279CS..EExtended strand (participates in β ladder)trans-88.5126-179.8-174.195.7000110L1117 N1118 T1122 Y1123 I1125 G1152 I1176 E1178 E1181 F1185 I1195L1117-W1150 HydrophobicContact CB-CE3 4.39Å; L1117-W1150 HydrophobicContact CB-CH2 4.05Å; L1117-W1150 HydrophobicContact CB-CZ2 4.41Å; L1117-W1150 HydrophobicContact CB-CZ3 4.03Å; L1117-W1150 HydrophobicContact CD1-CD2 3.78Å; L1117-W1150 HydrophobicContact CD1-CE3 4.15Å; L1117-W1150 HydrophobicContact CD1-CG 4.1Å; L1117-W1150 HydrophobicContact CD1-CZ2 4.22Å; N1118-W1150 WeakPolarHBondContact O-CZ3 3.44Å; T1122-W1150 WeakPolarHBondContact CA-O 3.44Å; Y1123-W1150 AromaticContact CD2-CE3 3.81Å; Y1123-W1150 HydrophobicContact CD2-CE3 3.81Å; Y1123-W1150 HydrophobicContact CD2-CZ3 4.07Å; Y1123-W1150 HydrophobicContact CE2-CE3 4.36Å; Y1123-W1150 HydrophobicContact CE2-CZ3 4.17Å; Y1123-W1150 PolarHBondContact N-O 3.5Å; Y1123-W1150 PolarHBondContact O-N 3.37Å; I1125-W1150 HydrophobicContact CD1-CB 3.77Å; W1150-G1152 VanDerWaalsContact CZ3-CA 3.46Å; W1150-G1152 VanDerWaalsContact CZ3-N 3.27Å; W1150-I1176 CarbonylContact C-O 3.59Å; W1150-I1176 WeakPolarHBondContact CA-O 3.41Å; W1150-E1178 HydrophobicContact CH2-CB 4.31Å; W1150-E1178 HydrophobicContact CH2-CG 4.38Å; W1150-E1178 HydrophobicContact CZ2-CB 3.77Å; W1150-E1178 HydrophobicContact CZ2-CG 3.83Å; W1150-E1181 PolarHBondContact NE1-OE1 2.98Å; W1150-F1185 HydrophobicContact CB-CE2 4.45Å; W1150-F1185 HydrophobicContact CB-CZ 3.97Å; W1150-F1185 AromaticContact CD1-CE1 3.73Å; W1150-F1185 AromaticContact CD1-CZ 3.66Å; W1150-F1185 HydrophobicContact CG-CE1 4.5Å; W1150-F1185 HydrophobicContact CG-CZ 4.02Å; W1150-I1195 HydrophobicContact CH2-CG2 4.28Å; W1150-I1195 HydrophobicContact CZ2-CD1 4.24Å; W1150-I1195 HydrophobicContact CZ2-CG1 4.12Å; W1150-I1195 HydrophobicContact CZ2-CG2 4.37Å
1151K92.7Very high83.4Confident68 Ų6853.5 Ų53.530%0.29627%0.265SS..EExtended strand (participates in β ladder)trans-117.2118.3179.7173.8163.1177149.70110.8S1155 I1157 I1176 E1178K1151-S1155 WeakPolarHBondContact CE-O 3.47Å; K1151-S1155 PolarHBondContact NZ-O 3.02Å; K1151-I1157 PolarHBondContact NZ-O 2.88Å; K1151-I1176 PolarHBondContact N-O 2.96Å; K1151-E1178 PolarHBondContact O-N 3.42Å
1152G91.2Very high83.3Confident1 Ų151.9 Ų51.91%0.0125%0.249CC..  trans-66.4150.2171.200000112.4E1119 N1121 W1150 H1154 S1155 E1178E1119-G1152 CarbonylContact O-C 3.52Å; E1119-G1152 WeakPolarHBondContact O-CA 3.16Å; N1121-G1152 PolarHBondContact O-N 3.13Å; W1150-G1152 VanDerWaalsContact CZ3-CA 3.46Å; W1150-G1152 VanDerWaalsContact CZ3-N 3.27Å; G1152-H1154 PolarHBondContact O-N 3.16Å; G1152-H1154 VanDerWaalsContact O-N 3.13Å; G1152-S1155 WeakPolarHBondContact O-CB 3.5Å; G1152-S1155 PolarHBondContact O-N 3.36Å; G1152-E1178 WeakPolarHBondContact CA-OE2 3.16Å
1153R86.5Confident82.9Confident76 Ų7648.6 Ų48.629%0.28724%0.237SC..THydrogen-bonded Turntrans-62.9-19.9-172.968.7-161.8-73.5-106.35114.7E1119 E1178 D1362 E1443E1119-R1153 HydrophobicContact CB-CG 4.2Å; E1119-R1153 PolarHBondContact O-N 2.9Å; E1119-R1153 IonicContact OE2-NH1 2.74Å; R1153-E1178 WeakPolarHBondContact CD-OE1 3.34Å; R1153-E1178 WeakPolarHBondContact CG-OE2 3.33Å; R1153-E1178 PolarHBondContact N-OE2 2.67Å; R1153-D1362 IonicContact CZ-OD1 2.76Å; R1153-D1362 IonicContact CZ-OD2 3.43Å; R1153-D1362 IonicContact NE-OD1 3.78Å; R1153-D1362 IonicContact NE-OD2 2.7Å; R1153-D1362 PolarHBondContact NE-OD2 2.91Å; R1153-D1362 IonicContact NH2-OD1 3.35Å; R1153-D1362 PolarHBondContact NH2-OD1 2.8Å; R1153-D1362 IonicContact NH2-OD2 3.65Å; R1153-D1362 PolarHBondContact NH2-OD2 2.94Å; R1153-E1443 IonicContact CZ-OE2 3.33Å; R1153-E1443 VanDerWaalsContact CZ-OE2 3.29Å; R1153-E1443 IonicContact NH1-OE1 3.49Å; R1153-E1443 IonicContact NH1-OE2 3.61Å; R1153-E1443 PolarHBondContact NH1-OE2 2.99Å; R1153-E1443 IonicContact NH2-OE2 3.62Å; R1153-E1443 PolarHBondContact NH2-OE2 3.15Å
1154H86Confident82Confident77 Ų7746.9 Ų46.936%0.35624%0.237SC..THydrogen-bonded Turntrans-106.811.4176.5-62.4136.9000113.6E1119 G1152E1119-H1154 CarbonylContact O-C 3.54Å; E1119-H1154 WeakPolarHBondContact O-CA 3.46Å; E1119-H1154 PolarHBondContact O-N 2.87Å; E1119-H1154 IonicContact OE1-CE1 3.49Å; E1119-H1154 IonicContact OE1-ND1 3.28Å; E1119-H1154 PolarHBondContact OE1-ND1 2.84Å; E1119-H1154 IonicContact OE2-CE1 2.67Å; E1119-H1154 PolarHBondContact OE2-CE1 3.42Å; E1119-H1154 IonicContact OE2-ND1 3.39Å; E1119-H1154 PolarHBondContact OE2-ND1 2.84Å; G1152-H1154 PolarHBondContact O-N 3.16Å; G1152-H1154 VanDerWaalsContact O-N 3.13Å
1155S87.4Confident81Confident8 Ų848 Ų486%0.05626%0.255CS..  trans-85.1127.1-176.8-155.90000113.8E1119 G1120 N1121 T1122 K1151 G1152E1119-S1155 PolarHBondContact O-N 2.94Å; G1120-S1155 WeakPolarHBondContact O-CA 3.1Å; G1120-S1155 WeakPolarHBondContact O-CB 3.42Å; G1120-S1155 PolarHBondContact O-OG 2.91Å; N1121-S1155 WeakPolarHBondContact CA-OG 3.43Å; T1122-S1155 PolarHBondContact N-OG 3.35Å; T1122-S1155 WeakPolarHBondContact OG1-CB 3.44Å; T1122-S1155 PolarHBondContact OG1-OG 3.09Å; K1151-S1155 WeakPolarHBondContact CE-O 3.47Å; K1151-S1155 PolarHBondContact NZ-O 3.02Å; G1152-S1155 WeakPolarHBondContact O-CB 3.5Å; G1152-S1155 PolarHBondContact O-N 3.36Å
1156N82.2Confident80.1Confident149 Ų14947.5 Ų47.580%0.79725%0.251SS*.  trans-76.5-22.8179.5-66.9-17.9000113.4
1157I78.9Confident79.2Confident27 Ų2749.1 Ų49.114%0.13826%0.261CS..  trans-66.7141.4-172.2-65.9171.7000111.3I1101 T1122 K1151I1101-I1157 HydrophobicContact CG2-CG2 4.09Å; I1101-I1157 VanDerWaalsContact O-CD1 3.24Å; I1101-I1157 WeakPolarHBondContact O-CD1 3.42Å; T1122-I1157 HydrophobicContact CG2-CG2 4.35Å; K1151-I1157 PolarHBondContact NZ-O 2.88Å
1158S67Low78Confident62 Ų6255.6 Ų55.643%0.43430%0.295SS..  trans-75.6-25.5-174.687.50000113.6R1160 D1161S1158-R1160 PolarHBondContact O-N 2.8Å; S1158-R1160 WeakPolarHBondContact OG-CB 3.31Å; S1158-R1160 PolarHBondContact OG-N 2.91Å; S1158-D1161 WeakPolarHBondContact CB-OD2 3.4Å; S1158-D1161 PolarHBondContact OG-OD2 3.14Å
1159G63Low76.9Confident3 Ų361.8 Ų61.83%0.03132%0.324CS..SBendtrans78.3-1.8-172.300000114.3
1160R64.1Low76.1Confident192 Ų19262.4 Ų62.473%0.72533%0.328SS*.  trans-86.3-16173.6-60-176.5176-176.7-0.7113S1158 L1162S1158-R1160 PolarHBondContact O-N 2.8Å; S1158-R1160 WeakPolarHBondContact OG-CB 3.31Å; S1158-R1160 PolarHBondContact OG-N 2.91Å; R1160-L1162 PolarHBondContact O-N 3.46Å
1161D63.4Low75Confident110 Ų11065.9 Ų65.959%0.58835%0.353SS*.  trans-87.720.3-168.7-43.2-71.1000113.4S1158S1158-D1161 WeakPolarHBondContact CB-OD2 3.4Å; S1158-D1161 PolarHBondContact OG-OD2 3.14Å
1162L69.2Low74.7Confident19 Ų1963.4 Ų63.410%0.09935%0.345CS..  trans-63.4144.9-180-63.9-177.3000111.9I1101 A1124 I1149 R1160 T1167I1101-L1162 HydrophobicContact CD1-CD2 3.47Å; I1101-L1162 VanDerWaalsContact CD1-CD2 3.47Å; I1101-L1162 HydrophobicContact CG1-CD2 3.79Å; I1101-L1162 HydrophobicContact CG2-CD2 4.35Å; A1124-L1162 HydrophobicContact CB-CD2 4.11Å; I1149-L1162 HydrophobicContact CD1-CD1 3.61Å; I1149-L1162 HydrophobicContact CG1-CD1 3.97Å; R1160-L1162 PolarHBondContact O-N 3.46Å; L1162-T1167 HydrophobicContact CB-CG2 3.68Å; L1162-T1167 HydrophobicContact CD1-CG2 3.86Å; L1162-T1167 HydrophobicContact CG-CG2 4.43Å
1163S71.5Confident74.5Confident35 Ų3567.7 Ų67.725%0.24537%0.365CS..  trans-61.2148.7174.6640000112.9D1106 A1165 L1166 T1167D1106-S1163 WeakPolarHBondContact OD2-CB 3.25Å; D1106-S1163 PolarHBondContact OD2-N 2.92Å; D1106-S1163 PolarHBondContact OD2-OG 3.34Å; S1163-A1165 PolarHBondContact O-N 2.92Å; S1163-A1165 VanDerWaalsContact O-N 3.08Å; S1163-L1166 PolarHBondContact O-N 3.1Å; S1163-L1166 VanDerWaalsContact O-N 3.16Å; S1163-T1167 PolarHBondContact O-N 3.36Å; S1163-T1167 PolarHBondContact O-OG1 3.36Å; S1163-T1167 VanDerWaalsContact O-OG1 3.05Å
1164P70.5Confident74.6Confident91 Ų9165.6 Ų65.659%0.59136%0.361SS*.Hα-helixtrans-56.3-22.5171.8-28.636.7000114.3T1167 N1168P1164-T1167 WeakPolarHBondContact CA-OG1 3.44Å; P1164-N1168 WeakPolarHBondContact O-CB 3.43Å; P1164-N1168 PolarHBondContact O-N 3.02Å; P1164-N1168 PolarHBondContact O-ND2 2.91Å
1165A69.2Low74.9Confident65 Ų6567.8 Ų67.854%0.53737%0.369SS..Hα-helixtrans-71.3-42.6177.400000112.2S1163S1163-A1165 PolarHBondContact O-N 2.92Å; S1163-A1165 VanDerWaalsContact O-N 3.08Å
1166L72.6Confident75.1Confident11 Ų1167.9 Ų67.96%0.05837%0.369CS..Hα-helixtrans-69.7-34.8176.4-95.764.4000112.3W1099 I1101 A1124 S1163W1099-L1166 HydrophobicContact CB-CD2 4.17Å; W1099-L1166 HydrophobicContact CD2-CD1 3.99Å; W1099-L1166 HydrophobicContact CD2-CD2 3.96Å; W1099-L1166 HydrophobicContact CD2-CG 4.2Å; W1099-L1166 HydrophobicContact CE3-CD2 4.03Å; W1099-L1166 HydrophobicContact CE3-CG 4.27Å; W1099-L1166 HydrophobicContact CG-CD1 4.21Å; W1099-L1166 HydrophobicContact CG-CD2 4.03Å; W1099-L1166 HydrophobicContact CZ2-CD1 4.22Å; I1101-L1166 HydrophobicContact CD1-CD2 4.3Å; A1124-L1166 HydrophobicContact CB-CD2 3.5Å; A1124-L1166 VanDerWaalsContact CB-CD2 3.5Å; S1163-L1166 PolarHBondContact O-N 3.1Å; S1163-L1166 VanDerWaalsContact O-N 3.16Å
1167T71.8Confident75.5Confident35 Ų3564.7 Ų64.722%0.21536%0.355CS..Hα-helixtrans-87.6-35.7-171.549.20000114.1L1162 S1163 P1164L1162-T1167 HydrophobicContact CB-CG2 3.68Å; L1162-T1167 HydrophobicContact CD1-CG2 3.86Å; L1162-T1167 HydrophobicContact CG-CG2 4.43Å; S1163-T1167 PolarHBondContact O-N 3.36Å; S1163-T1167 PolarHBondContact O-OG1 3.36Å; S1163-T1167 VanDerWaalsContact O-OG1 3.05Å; P1164-T1167 WeakPolarHBondContact CA-OG1 3.44Å
1168N69.9Low76.1Confident136 Ų13664.3 Ų64.373%0.72735%0.353SS*.Hα-helixtrans-77.8-23.2-177.5-70.7-41.7000114.5P1164 C1170P1164-N1168 WeakPolarHBondContact O-CB 3.43Å; P1164-N1168 PolarHBondContact O-N 3.02Å; P1164-N1168 PolarHBondContact O-ND2 2.91Å; N1168-C1170 VanDerWaalsContact C-N 3.34Å
1169E69.3Low77.1Confident130 Ų13061.7 Ų61.761%0.60734%0.336SS*.THydrogen-bonded Turntrans-83.1-5.8-179.6-69.7-168.3175.900114R1126R1126-E1169 IonicContact CZ-OE2 3.59Å; R1126-E1169 IonicContact NH1-OE2 2.65Å; R1126-E1169 PolarHBondContact NH1-OE2 3.49Å; R1126-E1169 IonicContact NH2-OE2 2.79Å
1170C76.5Confident78.4Confident15 Ų1564.3 Ų64.310%0.10135%0.347CS..  trans-125136.4-169.7-61.10000112.4R1126 S1145 V1147 N1168R1126-C1170 WeakPolarHBondContact CD-SG 3.33Å; S1145-C1170 WeakPolarHBondContact O-CA 3.37Å; S1145-C1170 WeakPolarHBondContact O-CB 3.38Å; V1147-C1170 HydrophobicContact CG2-CB 3.83Å; V1147-C1170 VanDerWaalsContact CG2-SG 3.51Å; N1168-C1170 VanDerWaalsContact C-N 3.34Å
1171S73.1Confident79.8Confident74 Ų7455.6 Ų55.652%0.51732%0.315SS..SBendtrans-82.2-25.5-174.145.80000113.8D1070 S1145D1070-S1171 WeakPolarHBondContact OD1-CB 3.31Å; D1070-S1171 PolarHBondContact OD1-OG 2.83Å; D1070-S1171 WeakPolarHBondContact OD2-CB 3.42Å; D1070-S1171 PolarHBondContact OD2-OG 3.2Å; S1145-S1171 PolarHBondContact O-N 3.45Å; S1145-S1171 PolarHBondContact O-OG 3.26Å
1172A84.7Confident81.2Confident16 Ų1650.9 Ų50.913%0.13229%0.29CS..EExtended strand (participates in β ladder)trans-133.8144.3178.800000112.2L1069 A1146 V1147L1069-A1172 HydrophobicContact CB-CB 4.39Å; L1069-A1172 HydrophobicContact CD2-CB 3.81Å; A1146-A1172 CarbonylContact C-O 3.51Å; A1146-A1172 VanDerWaalsContact CA-O 3.29Å; A1146-A1172 WeakPolarHBondContact CA-O 3.35Å; A1146-A1172 HydrophobicContact CB-CB 4.1Å; V1147-A1172 PolarHBondContact N-O 2.88Å
1173Q87.5Confident82.3Confident90 Ų9050.1 Ų50.142%0.42129%0.287SS..EExtended strand (participates in β ladder)trans-126.6134175.6-61.7178.519.600109.3V1147V1147-Q1173 CarbonylContact O-C 3.56Å; V1147-Q1173 WeakPolarHBondContact O-CA 3.19Å
1174V89.5Confident83.3Confident33 Ų3348.5 Ų48.520%0.228%0.275CS..EExtended strand (participates in β ladder)trans-133.6116.9-174.91790000110V1067 L1069 V1147 F1148 I1149 I1176V1067-V1174 HydrophobicContact CG1-CG2 4.37Å; L1069-V1174 HydrophobicContact CD2-CG2 3.7Å; V1147-V1174 PolarHBondContact O-N 3.22Å; F1148-V1174 CarbonylContact C-O 3.6Å; F1148-V1174 VanDerWaalsContact CA-O 3.31Å; F1148-V1174 WeakPolarHBondContact CA-O 3.25Å; F1148-V1174 HydrophobicContact CD1-CB 3.75Å; F1148-V1174 HydrophobicContact CD1-CG1 3.95Å; F1148-V1174 HydrophobicContact CD1-CG2 4.45Å; F1148-V1174 HydrophobicContact CE1-CB 4.09Å; F1148-V1174 HydrophobicContact CE1-CG1 4.17Å; F1148-V1174 HydrophobicContact CE1-CG2 4.35Å; I1149-V1174 PolarHBondContact N-O 3.24Å; V1174-I1176 HydrophobicContact CG1-CG1 4.37Å
1175F91.1Very high84.5Confident123 Ų12344.1 Ų44.154%0.53925%0.247SC..EExtended strand (participates in β ladder)trans-80.1135.5174.6-67.8-92.4000111I1149I1149-F1175 HydrophobicContact CB-CD1 3.87Å; I1149-F1175 HydrophobicContact CB-CE1 4.13Å; I1149-F1175 HydrophobicContact CB-CG 4.44Å; I1149-F1175 HydrophobicContact CD1-CD1 3.97Å; I1149-F1175 HydrophobicContact CD1-CD2 4.44Å; I1149-F1175 HydrophobicContact CD1-CE1 3.48Å; I1149-F1175 VanDerWaalsContact CD1-CE1 3.48Å; I1149-F1175 HydrophobicContact CD1-CE2 3.99Å; I1149-F1175 HydrophobicContact CD1-CG 4.43Å; I1149-F1175 HydrophobicContact CD1-CZ 3.48Å; I1149-F1175 VanDerWaalsContact CD1-CZ 3.48Å; I1149-F1175 HydrophobicContact CG1-CE1 4.41Å; I1149-F1175 HydrophobicContact CG2-CD1 3.9Å; I1149-F1175 HydrophobicContact CG2-CE1 3.94Å
1176I91.7Very high85.8Confident9 Ų941.2 Ų41.25%0.04622%0.222CC..EExtended strand (participates in β ladder)trans-131.3127176.8-61.7171.4000108F1148 I1149 W1150 K1151 V1174 E1181 P1182 F1185F1148-I1176 HydrophobicContact CB-CD1 4.05Å; F1148-I1176 HydrophobicContact CD1-CD1 3.6Å; F1148-I1176 HydrophobicContact CD1-CG1 4.45Å; F1148-I1176 HydrophobicContact CE1-CD1 4.4Å; F1148-I1176 HydrophobicContact CG-CD1 4.12Å; I1149-I1176 PolarHBondContact O-N 3.37Å; W1150-I1176 CarbonylContact C-O 3.59Å; W1150-I1176 WeakPolarHBondContact CA-O 3.41Å; K1151-I1176 PolarHBondContact N-O 2.96Å; V1174-I1176 HydrophobicContact CG1-CG1 4.37Å; I1176-E1181 HydrophobicContact CG2-CG 4.13Å; I1176-P1182 HydrophobicContact CD1-CG 4.14Å; I1176-F1185 HydrophobicContact CD1-CB 3.89Å; I1176-F1185 HydrophobicContact CD1-CD1 4.24Å; I1176-F1185 HydrophobicContact CD1-CD2 3.51Å; I1176-F1185 HydrophobicContact CD1-CE2 4.01Å; I1176-F1185 HydrophobicContact CD1-CG 3.62Å
1177T90.9Very high86.8Confident83 Ų8340.9 Ų40.951%0.50922%0.221SC..EExtended strand (participates in β ladder)trans-90.4148.6165.553.20000110.2G1179 E1180T1177-G1179 PolarHBondContact O-N 2.86Å; T1177-E1180 WeakPolarHBondContact O-CB 3.2Å; T1177-E1180 PolarHBondContact O-N 2.7Å
1178E91.9Very high88Confident18 Ų1839.8 Ų39.88%0.08421%0.213CC..THydrogen-bonded Turntrans-43.3128.5171.6-177.3175.9157.700113E1119 W1150 K1151 G1152 R1153 E1180 I1195E1119-E1178 WeakPolarHBondContact CB-OE2 3.47Å; W1150-E1178 HydrophobicContact CH2-CB 4.31Å; W1150-E1178 HydrophobicContact CH2-CG 4.38Å; W1150-E1178 HydrophobicContact CZ2-CB 3.77Å; W1150-E1178 HydrophobicContact CZ2-CG 3.83Å; K1151-E1178 PolarHBondContact O-N 3.42Å; G1152-E1178 WeakPolarHBondContact CA-OE2 3.16Å; R1153-E1178 WeakPolarHBondContact CD-OE1 3.34Å; R1153-E1178 WeakPolarHBondContact CG-OE2 3.33Å; R1153-E1178 PolarHBondContact N-OE2 2.67Å; E1178-E1180 VanDerWaalsContact C-N 3.31Å; E1178-E1180 PolarHBondContact O-N 2.87Å; E1178-I1195 HydrophobicContact CG-CD1 4.25Å; E1178-I1195 HydrophobicContact CG-CG2 4.48Å
1179G87.8Confident89.2Confident8 Ų833.6 Ų33.68%0.08218%0.18CC..THydrogen-bonded Turntrans86.6-11.7-179.900000115.9T1177 E1181T1177-G1179 PolarHBondContact O-N 2.86Å; G1179-E1181 WeakPolarHBondContact CA-OE2 3.34Å; G1179-E1181 VanDerWaalsContact N-CD 3.32Å; G1179-E1181 PolarHBondContact N-OE1 2.97Å; G1179-E1181 PolarHBondContact N-OE2 3.14Å; G1179-E1181 VanDerWaalsContact N-OE2 3.09Å
1180E89.7Confident90.4Very high58 Ų5831 Ų3127%0.27117%0.168SC..  trans-101.920.9176.7-67.5-67.5103.800112.9T1177 E1178 P1182 P1347 K1363T1177-E1180 WeakPolarHBondContact O-CB 3.2Å; T1177-E1180 PolarHBondContact O-N 2.7Å; E1178-E1180 VanDerWaalsContact C-N 3.31Å; E1178-E1180 PolarHBondContact O-N 2.87Å; E1180-P1182 WeakPolarHBondContact O-CD 3.35Å; E1180-P1347 HydrophobicContact CB-CG 4.39Å; E1180-K1363 WeakPolarHBondContact OE1-CE 3.38Å; E1180-K1363 IonicContact OE1-NZ 3.31Å; E1180-K1363 PolarHBondContact OE1-NZ 3.16Å; E1180-K1363 WeakPolarHBondContact OE2-CE 3.49Å; E1180-K1363 IonicContact OE2-NZ 3.93Å; E1180-K1363 PolarHBondContact OE2-NZ 2.73Å
1181E93.2Very high91.3Very high9 Ų930.3 Ų30.34%0.04216%0.163CC..  trans-62119.3-177.1-62.881-168.600112W1150 I1176 G1179 F1185 L1186 M1193W1150-E1181 PolarHBondContact NE1-OE1 2.98Å; I1176-E1181 HydrophobicContact CG2-CG 4.13Å; G1179-E1181 WeakPolarHBondContact CA-OE2 3.34Å; G1179-E1181 VanDerWaalsContact N-CD 3.32Å; G1179-E1181 PolarHBondContact N-OE1 2.97Å; G1179-E1181 PolarHBondContact N-OE2 3.14Å; G1179-E1181 VanDerWaalsContact N-OE2 3.09Å; E1181-F1185 HydrophobicContact CB-CD1 3.84Å; E1181-F1185 HydrophobicContact CB-CE1 4.42Å; E1181-F1185 HydrophobicContact CG-CD1 3.67Å; E1181-F1185 HydrophobicContact CG-CE1 3.73Å; E1181-L1186 HydrophobicContact CB-CD1 4.29Å; E1181-L1186 HydrophobicContact CB-CD2 3.57Å; E1181-L1186 HydrophobicContact CB-CG 3.73Å; E1181-L1186 HydrophobicContact CG-CD2 4.03Å; E1181-M1193 HydrophobicContact CG-CE 4Å
1182P92.9Very high92.3Very high10 Ų1027.1 Ų27.17%0.06514%0.142CC..  trans-69.4154.3173.630.3-34.1000110.2V1067 I1176 E1180 C1184 F1185 L1186V1067-P1182 HydrophobicContact CG2-CB 3.8Å; V1067-P1182 HydrophobicContact CG2-CG 3.91Å; I1176-P1182 HydrophobicContact CD1-CG 4.14Å; E1180-P1182 WeakPolarHBondContact O-CD 3.35Å; P1182-C1184 PolarHBondContact O-N 2.69Å; P1182-C1184 VanDerWaalsContact O-N 3.11Å; P1182-F1185 HydrophobicContact CG-CB 3.97Å; P1182-F1185 WeakPolarHBondContact O-CB 3.23Å; P1182-F1185 PolarHBondContact O-N 3.2Å; P1182-L1186 PolarHBondContact O-N 2.7Å
1183A92.8Very high92.8Very high4 Ų426.3 Ų26.33%0.03314%0.135CC..Hα-helixtrans-55.5-34.1-177.900000113.5R1076 F1185 L1186 Q1187R1076-A1183 HydrophobicContact CB-CB 4.33Å; R1076-A1183 HydrophobicContact CG-CB 3.94Å; A1183-F1185 VanDerWaalsContact C-N 3.29Å; A1183-F1185 PolarHBondContact O-N 2.66Å; A1183-L1186 PolarHBondContact O-N 3.48Å; A1183-Q1187 VanDerWaalsContact O-CG 3.25Å; A1183-Q1187 WeakPolarHBondContact O-CG 3.32Å; A1183-Q1187 PolarHBondContact O-N 2.83Å
1184C93.7Very high93.2Very high0 Ų022.1 Ų22.10%012%0.116CC..Hα-helixtrans-65.6-25.1176.662.40000114.5V1074 R1076 P1182 Q1187 L1188V1074-C1184 HydrophobicContact CG2-CB 4Å; R1076-C1184 WeakPolarHBondContact O-CA 3.2Å; P1182-C1184 PolarHBondContact O-N 2.69Å; P1182-C1184 VanDerWaalsContact O-N 3.11Å; C1184-Q1187 WeakPolarHBondContact O-CG 3.47Å; C1184-Q1187 PolarHBondContact O-NE2 3.13Å; C1184-L1188 WeakPolarHBondContact O-CG 3.43Å
1185F95.5Very high93.5Very high0 Ų020.8 Ų20.80%011%0.108CC..Hα-helixtrans-83.1-47.4174177.1-95.1000111.2L1117 I1125 F1148 W1150 I1176 E1181 P1182 A1183 Q1187 L1188 F1189 M1193L1117-F1185 HydrophobicContact CD1-CZ 4.43Å; I1125-F1185 HydrophobicContact CB-CE2 4.23Å; I1125-F1185 HydrophobicContact CD1-CE2 3.88Å; I1125-F1185 HydrophobicContact CD1-CZ 4.11Å; I1125-F1185 HydrophobicContact CG1-CE2 3.98Å; I1125-F1185 HydrophobicContact CG1-CZ 4.37Å; F1148-F1185 HydrophobicContact CB-CD2 3.75Å; F1148-F1185 HydrophobicContact CB-CE2 3.81Å; F1148-F1185 HydrophobicContact CD1-CD2 4.19Å; F1148-F1185 AromaticContact CD2-CD2 3.96Å; F1148-F1185 HydrophobicContact CD2-CD2 3.96Å; F1148-F1185 AromaticContact CG-CD2 3.71Å; F1148-F1185 HydrophobicContact CG-CD2 3.71Å; F1148-F1185 HydrophobicContact CG-CE2 4.28Å; W1150-F1185 HydrophobicContact CB-CE2 4.45Å; W1150-F1185 HydrophobicContact CB-CZ 3.97Å; W1150-F1185 AromaticContact CD1-CE1 3.73Å; W1150-F1185 AromaticContact CD1-CZ 3.66Å; W1150-F1185 HydrophobicContact CG-CE1 4.5Å; W1150-F1185 HydrophobicContact CG-CZ 4.02Å; I1176-F1185 HydrophobicContact CD1-CB 3.89Å; I1176-F1185 HydrophobicContact CD1-CD1 4.24Å; I1176-F1185 HydrophobicContact CD1-CD2 3.51Å; I1176-F1185 HydrophobicContact CD1-CE2 4.01Å; I1176-F1185 HydrophobicContact CD1-CG 3.62Å; E1181-F1185 HydrophobicContact CB-CD1 3.84Å; E1181-F1185 HydrophobicContact CB-CE1 4.42Å; E1181-F1185 HydrophobicContact CG-CD1 3.67Å; E1181-F1185 HydrophobicContact CG-CE1 3.73Å; P1182-F1185 HydrophobicContact CG-CB 3.97Å; P1182-F1185 WeakPolarHBondContact O-CB 3.23Å; P1182-F1185 PolarHBondContact O-N 3.2Å; A1183-F1185 VanDerWaalsContact C-N 3.29Å; A1183-F1185 PolarHBondContact O-N 2.66Å; F1185-Q1187 VanDerWaalsContact C-N 3.27Å; F1185-Q1187 PolarHBondContact O-N 3.47Å; F1185-L1188 HydrophobicContact CD2-CD1 4.31Å; F1185-L1188 VanDerWaalsContact O-CB 3.27Å; F1185-L1188 WeakPolarHBondContact O-CB 3.47Å; F1185-L1188 VanDerWaalsContact O-CG 3.28Å; F1185-L1188 WeakPolarHBondContact O-CG 3.46Å; F1185-L1188 PolarHBondContact O-N 2.87Å; F1185-L1188 VanDerWaalsContact O-N 3.07Å; F1185-F1189 HydrophobicContact CD1-CE2 4.02Å; F1185-F1189 AromaticContact CE1-CE2 3.69Å; F1185-F1189 HydrophobicContact CE1-CE2 3.69Å; F1185-F1189 HydrophobicContact CE1-CZ 4.31Å; F1185-F1189 HydrophobicContact CE2-CE2 4.28Å; F1185-F1189 HydrophobicContact CE2-CZ 4.27Å; F1185-F1189 HydrophobicContact CG-CE2 4.48Å; F1185-F1189 AromaticContact CZ-CE2 3.83Å; F1185-F1189 HydrophobicContact CZ-CE2 3.83Å; F1185-F1189 AromaticContact CZ-CZ 3.99Å; F1185-F1189 HydrophobicContact CZ-CZ 3.99Å; F1185-F1189 WeakPolarHBondContact O-CE2 3.4Å; F1185-M1193 HydrophobicContact CE1-CE 4.46Å; F1185-M1193 HydrophobicContact CE1-SD 4.05Å
1186L95.5Very high93.5Very high4 Ų415.5 Ų15.52%0.0218%0.084CC..Hα-helixtrans-57-40.4-178.6-68.6173.1000112.7E1181 P1182 A1183 L1188 F1189 M1193 E1219 C1348E1181-L1186 HydrophobicContact CB-CD1 4.29Å; E1181-L1186 HydrophobicContact CB-CD2 3.57Å; E1181-L1186 HydrophobicContact CB-CG 3.73Å; E1181-L1186 HydrophobicContact CG-CD2 4.03Å; P1182-L1186 PolarHBondContact O-N 2.7Å; A1183-L1186 PolarHBondContact O-N 3.48Å; L1186-L1188 VanDerWaalsContact C-N 3.27Å; L1186-L1188 PolarHBondContact O-N 3.29Å; L1186-F1189 PolarHBondContact O-N 2.78Å; L1186-M1193 HydrophobicContact CD2-CE 4.32Å; L1186-M1193 HydrophobicContact CD2-SD 3.66Å; L1186-E1219 HydrophobicContact CB-CB 4.05Å; L1186-E1219 HydrophobicContact CD1-CB 4.49Å; L1186-C1348 HydrophobicContact CD1-CB 3.45Å; L1186-C1348 VanDerWaalsContact CD1-CB 3.45Å
1187Q94.8Very high93.4Very high4 Ų419.8 Ų19.82%0.01910%0.1CC..G310 helixtrans-69.7-16.1-179.965115.539.900114.9R1076 G1077 A1183 C1184 F1185 F1189 Q1190 I1218 E1219R1076-Q1187 WeakPolarHBondContact O-CG 2.99Å; G1077-Q1187 PolarHBondContact O-NE2 2.83Å; G1077-Q1187 PolarHBondContact O-OE1 3.15Å; A1183-Q1187 VanDerWaalsContact O-CG 3.25Å; A1183-Q1187 WeakPolarHBondContact O-CG 3.32Å; A1183-Q1187 PolarHBondContact O-N 2.83Å; C1184-Q1187 WeakPolarHBondContact O-CG 3.47Å; C1184-Q1187 PolarHBondContact O-NE2 3.13Å; F1185-Q1187 VanDerWaalsContact C-N 3.27Å; F1185-Q1187 PolarHBondContact O-N 3.47Å; Q1187-F1189 PolarHBondContact O-N 3.3Å; Q1187-Q1190 PolarHBondContact O-N 2.68Å; Q1187-Q1190 PolarHBondContact O-NE2 3.25Å; Q1187-I1218 WeakPolarHBondContact CA-O 3.28Å; Q1187-I1218 HydrophobicContact CB-CD1 4.12Å; Q1187-I1218 HydrophobicContact CB-CG1 4.22Å; Q1187-E1219 HydrophobicContact CB-CG 4.13Å
1188L95.5Very high92.4Very high12 Ų1221.7 Ų21.76%0.06310%0.103CC..G310 helixtrans-59.5-31.5175.6-59.5-178.1000111.7V1096 I1125 W1127 F1148 C1184 F1185 L1186V1096-L1188 HydrophobicContact CG1-CB 4.43Å; V1096-L1188 HydrophobicContact CG2-CB 4.12Å; V1096-L1188 HydrophobicContact CG2-CD2 4.12Å; I1125-L1188 HydrophobicContact CG2-CD1 4.19Å; W1127-L1188 HydrophobicContact CB-CD1 4.23Å; W1127-L1188 HydrophobicContact CB-CD2 4.48Å; W1127-L1188 VanDerWaalsContact CD1-CD2 3.41Å; W1127-L1188 HydrophobicContact CD2-CD2 3.89Å; W1127-L1188 HydrophobicContact CG-CD1 4.28Å; W1127-L1188 HydrophobicContact CG-CD2 3.71Å; W1127-L1188 HydrophobicContact CZ2-CD2 4.37Å; W1127-L1188 VanDerWaalsContact NE1-CD2 3.34Å; F1148-L1188 HydrophobicContact CD2-CD1 4.03Å; F1148-L1188 HydrophobicContact CE2-CD1 3.91Å; C1184-L1188 WeakPolarHBondContact O-CG 3.43Å; F1185-L1188 HydrophobicContact CD2-CD1 4.31Å; F1185-L1188 VanDerWaalsContact O-CB 3.27Å; F1185-L1188 WeakPolarHBondContact O-CB 3.47Å; F1185-L1188 VanDerWaalsContact O-CG 3.28Å; F1185-L1188 WeakPolarHBondContact O-CG 3.46Å; F1185-L1188 PolarHBondContact O-N 2.87Å; F1185-L1188 VanDerWaalsContact O-N 3.07Å; L1186-L1188 VanDerWaalsContact C-N 3.27Å; L1186-L1188 PolarHBondContact O-N 3.29Å
1189F95.2Very high90.6Very high6 Ų629.2 Ų29.23%0.02614%0.138CC..G310 helixtrans-91-4.1179.3-47-66.9000112.7L1114 G1115 I1125 F1185 L1186 Q1187 G1191 G1192 M1193L1114-F1189 HydrophobicContact CD1-CD1 4.19Å; L1114-F1189 HydrophobicContact CD1-CE1 4.03Å; L1114-F1189 HydrophobicContact CG-CD1 4.17Å; L1114-F1189 HydrophobicContact CG-CE1 4.5Å; G1115-F1189 VanDerWaalsContact CA-CE1 3.47Å; I1125-F1189 HydrophobicContact CG1-CZ 4.48Å; I1125-F1189 HydrophobicContact CG2-CZ 4.44Å; F1185-F1189 HydrophobicContact CD1-CE2 4.02Å; F1185-F1189 AromaticContact CE1-CE2 3.69Å; F1185-F1189 HydrophobicContact CE1-CE2 3.69Å; F1185-F1189 HydrophobicContact CE1-CZ 4.31Å; F1185-F1189 HydrophobicContact CE2-CE2 4.28Å; F1185-F1189 HydrophobicContact CE2-CZ 4.27Å; F1185-F1189 HydrophobicContact CG-CE2 4.48Å; F1185-F1189 AromaticContact CZ-CE2 3.83Å; F1185-F1189 HydrophobicContact CZ-CE2 3.83Å; F1185-F1189 AromaticContact CZ-CZ 3.99Å; F1185-F1189 HydrophobicContact CZ-CZ 3.99Å; F1185-F1189 WeakPolarHBondContact O-CE2 3.4Å; L1186-F1189 PolarHBondContact O-N 2.78Å; Q1187-F1189 PolarHBondContact O-N 3.3Å; F1189-G1191 PolarHBondContact O-N 3.16Å; F1189-G1192 PolarHBondContact O-N 2.93Å; F1189-M1193 HydrophobicContact CB-CB 3.9Å; F1189-M1193 HydrophobicContact CD2-CB 3.77Å; F1189-M1193 HydrophobicContact CD2-CG 4.01Å; F1189-M1193 HydrophobicContact CD2-SD 3.9Å; F1189-M1193 HydrophobicContact CE2-CG 4.43Å; F1189-M1193 HydrophobicContact CE2-SD 4.02Å; F1189-M1193 HydrophobicContact CG-CB 3.97Å; F1189-M1193 HydrophobicContact CG-CG 4.5Å
1190Q94.9Very high88.7Confident75 Ų7532.7 Ų32.735%0.3516%0.159SC..THydrogen-bonded Turntrans52.239177.7-64.1-69.3-28.900113.2Q1187 I1218 H1266 R1270Q1187-Q1190 PolarHBondContact O-N 2.68Å; Q1187-Q1190 PolarHBondContact O-NE2 3.25Å; Q1190-I1218 CarbonylContact C-O 3.54Å; Q1190-I1218 WeakPolarHBondContact CA-O 3.39Å; Q1190-H1266 PolarHBondContact O-NE2 3.04Å; Q1190-R1270 VanDerWaalsContact O-CD 3.29Å; Q1190-R1270 WeakPolarHBondContact O-CD 3.44Å; Q1190-R1270 WeakPolarHBondContact O-CG 3.49Å; Q1190-R1270 PolarHBondContact O-NE 3.22Å
1191G94.8Very high86.3Confident1 Ų133.7 Ų33.71%0.0117%0.172CC..THydrogen-bonded Turntrans84.410.5-176.400000115.3F1189 I1218 G1220 T1267F1189-G1191 PolarHBondContact O-N 3.16Å; G1191-I1218 PolarHBondContact N-O 3.06Å; G1191-G1220 CarbonylContact C-O 3.57Å; G1191-G1220 WeakPolarHBondContact CA-O 3.24Å; G1191-T1267 WeakPolarHBondContact O-CA 3.25Å
1192G94.3Very high84.1Confident6 Ų641.2 Ų41.26%0.06221%0.211CC..  trans-100.45.9179.800000115.5Q1116 F1189Q1116-G1192 PolarHBondContact NE2-O 3.12Å; Q1116-G1192 VanDerWaalsContact NE2-O 3.09Å; F1189-G1192 PolarHBondContact O-N 2.93Å
1193M96.3Very high81.8Confident0 Ų047.8 Ų47.80%025%0.246CC..EExtended strand (participates in β ladder)trans-73.1130.9-177.1-176.7179.3146.500111.7G1115 L1117 E1181 F1185 L1186 F1189 I1195 S1221 L1222G1115-M1193 WeakPolarHBondContact O-CA 3.49Å; L1117-M1193 HydrophobicContact CD1-CE 4.18Å; E1181-M1193 HydrophobicContact CG-CE 4Å; F1185-M1193 HydrophobicContact CE1-CE 4.46Å; F1185-M1193 HydrophobicContact CE1-SD 4.05Å; L1186-M1193 HydrophobicContact CD2-CE 4.32Å; L1186-M1193 HydrophobicContact CD2-SD 3.66Å; F1189-M1193 HydrophobicContact CB-CB 3.9Å; F1189-M1193 HydrophobicContact CD2-CB 3.77Å; F1189-M1193 HydrophobicContact CD2-CG 4.01Å; F1189-M1193 HydrophobicContact CD2-SD 3.9Å; F1189-M1193 HydrophobicContact CE2-CG 4.43Å; F1189-M1193 HydrophobicContact CE2-SD 4.02Å; F1189-M1193 HydrophobicContact CG-CB 3.97Å; F1189-M1193 HydrophobicContact CG-CG 4.5Å; M1193-I1195 HydrophobicContact CE-CD1 3.58Å; M1193-I1195 HydrophobicContact CE-CG1 3.58Å; M1193-S1221 WeakPolarHBondContact O-CA 3.37Å; M1193-L1222 PolarHBondContact O-N 3.38Å
1194V95.7Very high79.5Confident1 Ų152.6 Ų52.61%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-129.5128.9175.8-168.20000109.3G1115 L1117 Y1196 F1210 L1222 L1271G1115-V1194 PolarHBondContact O-N 3.25Å; L1117-V1194 PolarHBondContact N-O 2.94Å; V1194-Y1196 HydrophobicContact CB-CE1 4.26Å; V1194-Y1196 HydrophobicContact CB-CE2 4.28Å; V1194-Y1196 HydrophobicContact CG1-CD1 3.92Å; V1194-Y1196 HydrophobicContact CG1-CE1 3.36Å; V1194-Y1196 HydrophobicContact CG1-CE2 4.2Å; V1194-F1210 HydrophobicContact CG1-CD1 3.97Å; V1194-F1210 HydrophobicContact CG1-CE1 3.63Å; V1194-L1222 CarbonylContact C-O 3.55Å; V1194-L1222 WeakPolarHBondContact CA-O 3.42Å; V1194-L1222 HydrophobicContact CB-CB 4.48Å; V1194-L1222 HydrophobicContact CG1-CB 4.11Å; V1194-L1222 HydrophobicContact CG2-CB 4.26Å; V1194-L1222 HydrophobicContact CG2-CD1 4.26Å; V1194-L1271 HydrophobicContact CG2-CD1 3.88Å
1195I94.7Very high77.5Confident6 Ų660.5 Ų60.53%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-103.3117.6170.4-58164.3000107.4W1150 E1178 M1193 L1222 L1223 E1224W1150-I1195 HydrophobicContact CH2-CG2 4.28Å; W1150-I1195 HydrophobicContact CZ2-CD1 4.24Å; W1150-I1195 HydrophobicContact CZ2-CG1 4.12Å; W1150-I1195 HydrophobicContact CZ2-CG2 4.37Å; E1178-I1195 HydrophobicContact CG-CD1 4.25Å; E1178-I1195 HydrophobicContact CG-CG2 4.48Å; M1193-I1195 HydrophobicContact CE-CD1 3.58Å; M1193-I1195 HydrophobicContact CE-CG1 3.58Å; I1195-L1222 PolarHBondContact N-O 2.78Å; I1195-L1223 HydrophobicContact CB-CD1 3.93Å; I1195-L1223 HydrophobicContact CD1-CD1 4.26Å; I1195-L1223 HydrophobicContact CG2-CD1 3.89Å; I1195-E1224 WeakPolarHBondContact O-CB 3.31Å; I1195-E1224 PolarHBondContact O-N 3Å
1196Y92.8Very high76.4Confident12 Ų1261.4 Ų61.45%0.04732%0.32CS..EExtended strand (participates in β ladder)trans-91.8143.5177.1-62.6-58.6000111.9Q1116 L1117 E1119 V1194 F1210 E1224 E1278 L1279Q1116-Y1196 HydrophobicContact CB-CE2 4.05Å; Q1116-Y1196 PolarHBondContact OE1-OH 3.36Å; L1117-Y1196 WeakPolarHBondContact O-CD2 3.43Å; L1117-Y1196 PolarHBondContact O-N 3.31Å; E1119-Y1196 PolarHBondContact N-O 3.09Å; V1194-Y1196 HydrophobicContact CB-CE1 4.26Å; V1194-Y1196 HydrophobicContact CB-CE2 4.28Å; V1194-Y1196 HydrophobicContact CG1-CD1 3.92Å; V1194-Y1196 HydrophobicContact CG1-CE1 3.36Å; V1194-Y1196 HydrophobicContact CG1-CE2 4.2Å; Y1196-F1210 HydrophobicContact CD1-CE1 4.03Å; Y1196-F1210 HydrophobicContact CD1-CZ 4.43Å; Y1196-F1210 AromaticContact CE1-CE1 3.87Å; Y1196-F1210 HydrophobicContact CE1-CE1 3.87Å; Y1196-F1210 HydrophobicContact CE1-CZ 4.06Å; Y1196-E1224 WeakPolarHBondContact CA-OE2 3.44Å; Y1196-E1224 WeakPolarHBondContact CD1-OE2 3.48Å; Y1196-E1278 HydrophobicContact CD2-CB 4.44Å; Y1196-E1278 HydrophobicContact CE2-CB 3.61Å; Y1196-E1278 HydrophobicContact CE2-CG 3.97Å; Y1196-L1279 HydrophobicContact CE1-CD2 3.62Å; Y1196-L1279 HydrophobicContact CE1-CG 4.42Å; Y1196-L1279 WeakPolarHBondContact OH-CG 3.33Å
1197R87.8Confident76Confident99 Ų9964 Ų6437%0.37433%0.329SS..PPolyproline II helixtrans-71.3170.1168.5-160.8175166.2147.44.3109.8N1118 E1119 Q1199 E1224 E1443N1118-R1197 PolarHBondContact ND2-O 3.01Å; E1119-R1197 WeakPolarHBondContact OE1-CA 3.36Å; E1119-R1197 WeakPolarHBondContact OE1-CG 3.41Å; R1197-Q1199 PolarHBondContact O-N 3.41Å; R1197-E1224 HydrophobicContact CB-CB 4.37Å; R1197-E1224 HydrophobicContact CB-CG 4.18Å; R1197-E1224 PolarHBondContact N-OE2 2.91Å; R1197-E1443 IonicContact CZ-OE1 3.39Å; R1197-E1443 IonicContact NH1-OE1 2.7Å; R1197-E1443 IonicContact NH2-OE1 2.76Å; R1197-E1443 PolarHBondContact NH2-OE1 2.81Å
1198Q70.5Confident75.9Confident122 Ų12266.1 Ų66.157%0.5734%0.337SS*.SBendtrans-38.1136.5176.7-84.2172.616.400113.2E1119E1119-Q1198 WeakPolarHBondContact OE1-CG 3.25Å; E1119-Q1198 PolarHBondContact OE1-N 3.23Å
1199Q54Low75.8Confident176 Ų17665.6 Ų65.682%0.82233%0.334SS*.PPolyproline II helixtrans-50125.1-169.3-159.416826.100111.2R1197 S1201R1197-Q1199 PolarHBondContact O-N 3.41Å; Q1199-S1201 PolarHBondContact O-N 2.89Å
1200P47.4Very low75.9Confident81 Ų8165.3 Ų65.353%0.52633%0.333SS..PPolyproline II helixtrans-64.3132.5-160.422.6-34000112.2I1202P1200-I1202 PolarHBondContact O-N 2.81Å
1201S40.7Very low75.9Confident79 Ų7961.8 Ų61.855%0.55232%0.316SS*.PPolyproline II helixtrans-56.9134.2161.350.10000108.8Q1199 D1203 T1204Q1199-S1201 PolarHBondContact O-N 2.89Å; S1201-D1203 PolarHBondContact O-N 3.16Å; S1201-T1204 PolarHBondContact O-OG1 3.37Å
1202I46.2Very low76.1Confident167 Ų16762.3 Ų62.386%0.85632%0.319SS*.THydrogen-bonded Turntrans-66.7-12-165.5-66.2171.5000112.2P1200P1200-I1202 PolarHBondContact O-N 2.81Å
1203D44.5Very low76.1Confident148 Ų14863.7 Ų63.779%0.79132%0.323SS*.THydrogen-bonded Turntrans-93.26.5-169.7-47.5-60.2000115.4S1201S1201-D1203 PolarHBondContact O-N 3.16Å
1204T45.6Very low75.9Confident106 Ų10664.5 Ų64.565%0.6533%0.331SS*.  trans-98.394.6177.343.80000113S1201 A1206S1201-T1204 PolarHBondContact O-OG1 3.37Å; T1204-A1206 PolarHBondContact O-N 3.2Å; T1204-A1206 VanDerWaalsContact O-N 3.12Å
1205E50.5Low75.7Confident166 Ų16664.7 Ų64.778%0.77633%0.332SS*.  trans-65.1111.9173-70.2-165.1137.700112.6
1206A71.9Confident75.7Confident19 Ų1966.1 Ų66.116%0.15734%0.341CS..SBendtrans91-11.2138.300000121.5T1204 N1242 Q1244T1204-A1206 PolarHBondContact O-N 3.2Å; T1204-A1206 VanDerWaalsContact O-N 3.12Å; A1206-N1242 WeakPolarHBondContact CB-ND2 3.23Å; A1206-N1242 VanDerWaalsContact O-CA 3.25Å; A1206-N1242 WeakPolarHBondContact O-CA 3.24Å; A1206-N1242 WeakPolarHBondContact O-CB 3.47Å; A1206-N1242 PolarHBondContact O-ND2 3.49Å; A1206-N1242 VanDerWaalsContact O-ND2 3.11Å; A1206-N1242 PolarHBondContact O-OD1 3.33Å; A1206-Q1244 HydrophobicContact CB-CG 4.43Å
1207W88.5Confident75.9Confident58 Ų5867.1 Ų67.122%0.2235%0.349CS..  trans-129.1131.7179.5-66.498.8000115.1L1240 N1242 T1247 Y1249 A1304W1207-L1240 HydrophobicContact CB-CD1 4.48Å; W1207-L1240 HydrophobicContact CE3-CD1 3.78Å; W1207-L1240 HydrophobicContact CE3-CD2 4.05Å; W1207-L1240 HydrophobicContact CE3-CG 3.64Å; W1207-L1240 HydrophobicContact CZ3-CD2 4.12Å; W1207-L1240 HydrophobicContact CZ3-CG 3.9Å; W1207-N1242 HydrophobicContact CD2-CB 3.81Å; W1207-N1242 VanDerWaalsContact CE2-ND2 3.25Å; W1207-N1242 HydrophobicContact CE3-CB 3.56Å; W1207-N1242 HydrophobicContact CH2-CB 3.48Å; W1207-N1242 VanDerWaalsContact CH2-CB 3.48Å; W1207-N1242 HydrophobicContact CZ2-CB 3.75Å; W1207-N1242 VanDerWaalsContact CZ2-ND2 3.31Å; W1207-N1242 WeakPolarHBondContact CZ2-ND2 3.34Å; W1207-N1242 HydrophobicContact CZ3-CB 3.4Å; W1207-T1247 HydrophobicContact CH2-CG2 4.42Å; W1207-Y1249 HydrophobicContact CH2-CD2 4.28Å; W1207-Y1249 AromaticContact CH2-CE2 3.66Å; W1207-Y1249 HydrophobicContact CH2-CE2 3.66Å; W1207-Y1249 HydrophobicContact CZ3-CD2 4.02Å; W1207-Y1249 AromaticContact CZ3-CE2 3.88Å; W1207-Y1249 HydrophobicContact CZ3-CE2 3.88Å; W1207-A1304 HydrophobicContact CB-CB 4.4Å; W1207-A1304 HydrophobicContact CD2-CB 3.28Å; W1207-A1304 VanDerWaalsContact CE2-CB 3.43Å; W1207-A1304 HydrophobicContact CE3-CB 3.69Å; W1207-A1304 HydrophobicContact CG-CB 3.6Å; W1207-A1304 HydrophobicContact CH2-CB 4.36Å; W1207-A1304 HydrophobicContact CZ2-CB 3.99Å; W1207-A1304 HydrophobicContact CZ3-CB 4.21Å
1208R91.6Very high76.2Confident49 Ų4964 Ų6419%0.18534%0.34CS..EExtended strand (participates in β ladder)trans-130.2138.1176.4-59.4178.374.6170.65.4110.2F1210 E1224 L1241 E1278R1208-F1210 HydrophobicContact CB-CE2 3.72Å; R1208-F1210 HydrophobicContact CB-CZ 4.1Å; R1208-E1224 IonicContact CZ-OE1 3.02Å; R1208-E1224 VanDerWaalsContact CZ-OE1 3.25Å; R1208-E1224 IonicContact CZ-OE2 3.27Å; R1208-E1224 IonicContact NE-OE1 2.66Å; R1208-E1224 PolarHBondContact NE-OE1 3.31Å; R1208-E1224 VanDerWaalsContact NH2-CD 3.27Å; R1208-E1224 IonicContact NH2-OE1 2.7Å; R1208-E1224 PolarHBondContact NH2-OE1 3.27Å; R1208-E1224 IonicContact NH2-OE2 3.84Å; R1208-E1224 PolarHBondContact NH2-OE2 3.31Å; R1208-L1241 PolarHBondContact N-O 3.06Å; R1208-L1241 PolarHBondContact O-N 2.85Å; R1208-E1278 PolarHBondContact NH1-O 2.8Å
1209L94.2Very high77.4Confident0 Ų058.2 Ų58.20%031%0.312CS..EExtended strand (participates in β ladder)trans-119.5130.2-177.1-175.664.9000110.3V1225 C1227 L1238 L1240 I1305L1209-V1225 HydrophobicContact CB-CG2 4.18Å; L1209-V1225 HydrophobicContact CD2-CG2 3.97Å; L1209-V1225 HydrophobicContact CG-CG2 3.78Å; L1209-V1225 WeakPolarHBondContact O-CG2 3.44Å; L1209-V1225 PolarHBondContact O-N 3.39Å; L1209-C1227 HydrophobicContact CB-CB 4.09Å; L1209-L1238 HydrophobicContact CD1-CB 4.04Å; L1209-L1238 HydrophobicContact CD1-CD2 3.99Å; L1209-L1238 HydrophobicContact CD2-CD2 4.03Å; L1209-L1238 HydrophobicContact CG-CD2 3.97Å; L1209-L1240 HydrophobicContact CB-CD1 4.36Å; L1209-L1240 HydrophobicContact CD1-CB 3.92Å; L1209-L1240 HydrophobicContact CD1-CD1 4.16Å; L1209-I1305 HydrophobicContact CD1-CD1 4.31Å; L1209-I1305 HydrophobicContact CD2-CD1 4.29Å
1210F96.2Very high79.4Confident1 Ų149.8 Ų49.80%0.00427%0.273CS..EExtended strand (participates in β ladder)trans-122.6135-179.9-57.4-94.2000111V1194 Y1196 R1208 L1222 L1223 E1224 L1238 V1239 L1241 L1279V1194-F1210 HydrophobicContact CG1-CD1 3.97Å; V1194-F1210 HydrophobicContact CG1-CE1 3.63Å; Y1196-F1210 HydrophobicContact CD1-CE1 4.03Å; Y1196-F1210 HydrophobicContact CD1-CZ 4.43Å; Y1196-F1210 AromaticContact CE1-CE1 3.87Å; Y1196-F1210 HydrophobicContact CE1-CE1 3.87Å; Y1196-F1210 HydrophobicContact CE1-CZ 4.06Å; R1208-F1210 HydrophobicContact CB-CE2 3.72Å; R1208-F1210 HydrophobicContact CB-CZ 4.1Å; F1210-L1222 HydrophobicContact CB-CB 4.08Å; F1210-L1222 HydrophobicContact CB-CD2 4.39Å; F1210-L1222 HydrophobicContact CD1-CB 4.15Å; F1210-L1222 HydrophobicContact CG-CB 4.35Å; F1210-L1223 CarbonylContact C-O 3.55Å; F1210-L1223 VanDerWaalsContact CA-O 3.29Å; F1210-L1223 WeakPolarHBondContact CA-O 3.34Å; F1210-E1224 HydrophobicContact CD1-CB 3.84Å; F1210-E1224 HydrophobicContact CD1-CG 4.36Å; F1210-E1224 HydrophobicContact CE1-CB 3.71Å; F1210-E1224 HydrophobicContact CE1-CG 4.01Å; F1210-E1224 HydrophobicContact CZ-CG 4.48Å; F1210-L1238 CarbonylContact O-C 3.58Å; F1210-L1238 WeakPolarHBondContact O-CA 3.47Å; F1210-L1238 WeakPolarHBondContact O-CB 3.32Å; F1210-V1239 HydrophobicContact CB-CB 4.37Å; F1210-V1239 PolarHBondContact N-O 2.92Å; F1210-V1239 PolarHBondContact O-N 2.76Å; F1210-L1241 HydrophobicContact CE2-CB 4.47Å; F1210-L1241 HydrophobicContact CE2-CD2 4.4Å; F1210-L1279 HydrophobicContact CE2-CD2 4.33Å; F1210-L1279 HydrophobicContact CZ-CD2 3.78Å
1211C96.8Very high81.7Confident0 Ų046.2 Ų46.20%025%0.25CS..EExtended strand (participates in β ladder)trans-89.8125.9172-165.70000109.6L1223 V1225 M1357 P1440C1211-L1223 PolarHBondContact N-O 3.02Å; C1211-L1223 PolarHBondContact O-N 2.7Å; C1211-V1225 HydrophobicContact CB-CG1 3.83Å; C1211-V1225 HydrophobicContact CB-CG2 4.44Å; C1211-M1357 VanDerWaalsContact SG-CE 3.56Å; C1211-P1440 HydrophobicContact CB-CB 4.44Å
1212V97.4Very high84.4Confident13 Ų1342.7 Ų42.78%0.07923%0.225CC..EExtended strand (participates in β ladder)trans-81.8127.9-178.6-175.30000110.4L1222 S1237 V1239 V1263 A1264 T1267V1212-L1222 HydrophobicContact CB-CD2 4.43Å; V1212-L1222 HydrophobicContact CG2-CD2 3.75Å; V1212-S1237 WeakPolarHBondContact CB-O 3.49Å; V1212-S1237 WeakPolarHBondContact CG2-O 3.44Å; V1212-S1237 PolarHBondContact N-O 2.92Å; V1212-V1239 HydrophobicContact CG2-CG2 3.9Å; V1212-V1263 HydrophobicContact CG1-CG1 4Å; V1212-A1264 HydrophobicContact CB-CB 4.22Å; V1212-A1264 HydrophobicContact CG1-CB 3.9Å; V1212-A1264 HydrophobicContact CG2-CB 3.85Å; V1212-T1267 HydrophobicContact CG1-CG2 4.46Å
1213R95.4Very high86.7Confident34 Ų3435.4 Ų35.413%0.12819%0.188CC..EExtended strand (participates in β ladder)trans-119.8168.9173.8-53.3-165.576.7-155.91.8111.4G1220 S1221 V1263 M1357 P1358 P1440R1213-G1220 WeakPolarHBondContact O-CA 3.3Å; R1213-S1221 PolarHBondContact N-O 3.37Å; R1213-S1221 PolarHBondContact O-N 3.29Å; R1213-S1221 VanDerWaalsContact O-N 3.08Å; R1213-V1263 WeakPolarHBondContact O-CG1 3.32Å; R1213-M1357 PolarHBondContact NH2-O 3.28Å; R1213-M1357 VanDerWaalsContact NH2-O 3.13Å; R1213-P1358 PolarHBondContact NH2-O 2.94Å; R1213-P1358 VanDerWaalsContact NH2-O 3.12Å; R1213-P1440 HydrophobicContact CG-CG 4.5Å
1214G91.9Very high89.1Confident18 Ų1829.8 Ų29.819%0.18616%0.157CC..  trans105.5146.6-177.700000113.7
1215D91.5Very high91.4Very high5 Ų525.1 Ų25.13%0.02713%0.128CC..SBendtrans-94.5-23.1178.3-84.2-16.4000113.1R1349 A1350 V1353 T1355D1215-R1349 WeakPolarHBondContact OD2-CA 3.4Å; D1215-A1350 HydrophobicContact CB-CB 3.74Å; D1215-A1350 PolarHBondContact OD2-N 2.99Å; D1215-V1353 HydrophobicContact CB-CB 4.22Å; D1215-V1353 HydrophobicContact CB-CG1 3.83Å; D1215-T1355 WeakPolarHBondContact OD1-CB 3.27Å; D1215-T1355 WeakPolarHBondContact OD1-CG2 3.39Å; D1215-T1355 PolarHBondContact OD1-OG1 2.81Å; D1215-T1355 PolarHBondContact OD2-OG1 2.83Å
1216V93.9Very high93.2Very high35 Ų3522.8 Ų22.821%0.21212%0.117CC..SBendtrans-130.8138.2-172.4-173.10000109.3I1218 E1219 G1220 A1350V1216-I1218 PolarHBondContact O-N 3.31Å; V1216-E1219 HydrophobicContact CB-CB 4.42Å; V1216-E1219 HydrophobicContact CB-CG 4.39Å; V1216-E1219 CarbonylContact O-C 3.51Å; V1216-E1219 WeakPolarHBondContact O-CA 3.36Å; V1216-E1219 WeakPolarHBondContact O-CB 3.34Å; V1216-E1219 PolarHBondContact O-N 3.48Å; V1216-G1220 PolarHBondContact O-N 2.91Å; V1216-A1350 HydrophobicContact CG2-CB 4.07Å
1217P96.6Very high94.1Very high34 Ų3423.8 Ų23.822%0.22112%0.123CC..G310 helixtrans-52-46-168.2-33.638.3000116.7E1219 G1220 Q1262 H1266P1217-E1219 PolarHBondContact O-N 3.04Å; P1217-G1220 PolarHBondContact O-N 2.77Å; P1217-Q1262 HydrophobicContact CG-CB 4.48Å; P1217-H1266 HydrophobicContact CB-CB 3.72Å; P1217-H1266 PolarHBondContact O-CD2 3.1Å
1218I95.5Very high94.1Very high33 Ų3322 Ų2217%0.16912%0.119CC..G310 helixtrans-73.9-11.9-179.974.3169.7000113.8Q1187 Q1190 G1191 V1216Q1187-I1218 WeakPolarHBondContact CA-O 3.28Å; Q1187-I1218 HydrophobicContact CB-CD1 4.12Å; Q1187-I1218 HydrophobicContact CB-CG1 4.22Å; Q1190-I1218 CarbonylContact C-O 3.54Å; Q1190-I1218 WeakPolarHBondContact CA-O 3.39Å; G1191-I1218 PolarHBondContact N-O 3.06Å; V1216-I1218 PolarHBondContact O-N 3.31Å
1219E95.2Very high94.1Very high0 Ų020 Ų200%011%0.112CC..G310 helixtrans-100.712.6175.6-61159.2-153.200111R1076 R1078 L1186 Q1187 V1216 P1217R1076-E1219 IonicContact CZ-OE1 3.68Å; R1076-E1219 IonicContact CZ-OE2 3.54Å; R1076-E1219 IonicContact NH1-OE1 2.6Å; R1076-E1219 PolarHBondContact NH1-OE1 3.12Å; R1076-E1219 IonicContact NH1-OE2 2.66Å; R1076-E1219 PolarHBondContact NH1-OE2 3.12Å; R1076-E1219 IonicContact NH2-OE2 2.64Å; R1078-E1219 IonicContact CZ-OE1 3.69Å; R1078-E1219 IonicContact NH2-OE1 3.37Å; R1078-E1219 PolarHBondContact NH2-OE1 3.48Å; L1186-E1219 HydrophobicContact CB-CB 4.05Å; L1186-E1219 HydrophobicContact CD1-CB 4.49Å; Q1187-E1219 HydrophobicContact CB-CG 4.13Å; V1216-E1219 HydrophobicContact CB-CB 4.42Å; V1216-E1219 HydrophobicContact CB-CG 4.39Å; V1216-E1219 CarbonylContact O-C 3.51Å; V1216-E1219 WeakPolarHBondContact O-CA 3.36Å; V1216-E1219 WeakPolarHBondContact O-CB 3.34Å; V1216-E1219 PolarHBondContact O-N 3.48Å; P1217-E1219 PolarHBondContact O-N 3.04Å
1220G95.8Very high93.8Very high0 Ų022.4 Ų22.40%013%0.129CC..  trans-70.8141.2178.300000112.7G1191 R1213 V1216 P1217G1191-G1220 CarbonylContact C-O 3.57Å; G1191-G1220 WeakPolarHBondContact CA-O 3.24Å; R1213-G1220 WeakPolarHBondContact O-CA 3.3Å; V1216-G1220 PolarHBondContact O-N 2.91Å; P1217-G1220 PolarHBondContact O-N 2.77Å
1221S96.2Very high93.7Very high6 Ų622.9 Ų22.94%0.04213%0.133CC..EExtended strand (participates in β ladder)trans-136.7154.8173.361.20000111.8M1193 R1213M1193-S1221 WeakPolarHBondContact O-CA 3.37Å; R1213-S1221 PolarHBondContact N-O 3.37Å; R1213-S1221 PolarHBondContact O-N 3.29Å; R1213-S1221 VanDerWaalsContact O-N 3.08Å
1222L96.6Very high93.6Very high4 Ų422.9 Ų22.92%0.02113%0.133CC..EExtended strand (participates in β ladder)trans-109.6117.5176-63.5-176.4000109.1M1193 V1194 I1195 F1210 V1212 V1239 L1271M1193-L1222 PolarHBondContact O-N 3.38Å; V1194-L1222 CarbonylContact C-O 3.55Å; V1194-L1222 WeakPolarHBondContact CA-O 3.42Å; V1194-L1222 HydrophobicContact CB-CB 4.48Å; V1194-L1222 HydrophobicContact CG1-CB 4.11Å; V1194-L1222 HydrophobicContact CG2-CB 4.26Å; V1194-L1222 HydrophobicContact CG2-CD1 4.26Å; I1195-L1222 PolarHBondContact N-O 2.78Å; F1210-L1222 HydrophobicContact CB-CB 4.08Å; F1210-L1222 HydrophobicContact CB-CD2 4.39Å; F1210-L1222 HydrophobicContact CD1-CB 4.15Å; F1210-L1222 HydrophobicContact CG-CB 4.35Å; V1212-L1222 HydrophobicContact CB-CD2 4.43Å; V1212-L1222 HydrophobicContact CG2-CD2 3.75Å; L1222-V1239 HydrophobicContact CD2-CG2 3.97Å; L1222-L1271 HydrophobicContact CD1-CD1 4.21Å; L1222-L1271 HydrophobicContact CD1-CD2 3.99Å
1223L95.1Very high93.5Very high14 Ų1422.5 Ų22.57%0.07313%0.13CC..EExtended strand (participates in β ladder)trans-99.1121.4172.1176.462.7000108.9I1195 F1210 C1211 L1360 P1440I1195-L1223 HydrophobicContact CB-CD1 3.93Å; I1195-L1223 HydrophobicContact CD1-CD1 4.26Å; I1195-L1223 HydrophobicContact CG2-CD1 3.89Å; F1210-L1223 CarbonylContact C-O 3.55Å; F1210-L1223 VanDerWaalsContact CA-O 3.29Å; F1210-L1223 WeakPolarHBondContact CA-O 3.34Å; C1211-L1223 PolarHBondContact N-O 3.02Å; C1211-L1223 PolarHBondContact O-N 2.7Å; L1223-L1360 HydrophobicContact CD2-CD2 4.21Å; L1223-P1440 HydrophobicContact CD2-CB 4.08Å
1224E94.5Very high93.5Very high30 Ų3021 Ų2114%0.1412%0.124CC..EExtended strand (participates in β ladder)trans-65.7133.9174.9-171.8157.6-139.700111.3I1195 Y1196 R1197 R1208 F1210I1195-E1224 WeakPolarHBondContact O-CB 3.31Å; I1195-E1224 PolarHBondContact O-N 3Å; Y1196-E1224 WeakPolarHBondContact CA-OE2 3.44Å; Y1196-E1224 WeakPolarHBondContact CD1-OE2 3.48Å; R1197-E1224 HydrophobicContact CB-CB 4.37Å; R1197-E1224 HydrophobicContact CB-CG 4.18Å; R1197-E1224 PolarHBondContact N-OE2 2.91Å; R1208-E1224 IonicContact CZ-OE1 3.02Å; R1208-E1224 VanDerWaalsContact CZ-OE1 3.25Å; R1208-E1224 IonicContact CZ-OE2 3.27Å; R1208-E1224 IonicContact NE-OE1 2.66Å; R1208-E1224 PolarHBondContact NE-OE1 3.31Å; R1208-E1224 VanDerWaalsContact NH2-CD 3.27Å; R1208-E1224 IonicContact NH2-OE1 2.7Å; R1208-E1224 PolarHBondContact NH2-OE1 3.27Å; R1208-E1224 IonicContact NH2-OE2 3.84Å; R1208-E1224 PolarHBondContact NH2-OE2 3.31Å; F1210-E1224 HydrophobicContact CD1-CB 3.84Å; F1210-E1224 HydrophobicContact CD1-CG 4.36Å; F1210-E1224 HydrophobicContact CE1-CB 3.71Å; F1210-E1224 HydrophobicContact CE1-CG 4.01Å; F1210-E1224 HydrophobicContact CZ-CG 4.48Å
1225V92.9Very high93.7Very high8 Ų820.7 Ų20.75%0.04812%0.118CC..EExtended strand (participates in β ladder)trans-130.8164.2179.9-62.20000110L1209 C1211 C1227 L1238L1209-V1225 HydrophobicContact CB-CG2 4.18Å; L1209-V1225 HydrophobicContact CD2-CG2 3.97Å; L1209-V1225 HydrophobicContact CG-CG2 3.78Å; L1209-V1225 WeakPolarHBondContact O-CG2 3.44Å; L1209-V1225 PolarHBondContact O-N 3.39Å; C1211-V1225 HydrophobicContact CB-CG1 3.83Å; C1211-V1225 HydrophobicContact CB-CG2 4.44Å; V1225-C1227 PolarHBondContact O-N 2.97Å; V1225-L1238 HydrophobicContact CG2-CD2 4.34Å
1226Q89.8Confident93.9Very high118 Ų11820.6 Ų20.655%0.55112%0.118SC*.  trans-57.7130.4176.7-171.7-179.38.500110.2S1228 S1231Q1226-S1228 WeakPolarHBondContact CG-OG 3.33Å; Q1226-S1228 PolarHBondContact O-N 2.87Å; Q1226-S1228 PolarHBondContact O-OG 2.66Å; Q1226-S1231 VanDerWaalsContact O-CB 3.22Å; Q1226-S1231 WeakPolarHBondContact O-CB 3.45Å; Q1226-S1231 PolarHBondContact O-OG 3.17Å
1227C90.8Very high94.1Very high40 Ų4019 Ų1927%0.2711%0.108SC..SBendtrans-75.273.2177.5-167.50000110.7L1209 V1225L1209-C1227 HydrophobicContact CB-CB 4.09Å; V1225-C1227 PolarHBondContact O-N 2.97Å
1228S88.8Confident94.1Very high19 Ų1917.3 Ų17.313%0.13310%0.098CC..SBendtrans-147155.5-173.757.90000111.6Q1226 S1230 S1231 I1305Q1226-S1228 WeakPolarHBondContact CG-OG 3.33Å; Q1226-S1228 PolarHBondContact O-N 2.87Å; Q1226-S1228 PolarHBondContact O-OG 2.66Å; S1228-S1230 PolarHBondContact O-N 3.27Å; S1228-S1230 PolarHBondContact OG-OG 2.87Å; S1228-S1231 WeakPolarHBondContact O-CB 3.45Å; S1228-S1231 PolarHBondContact O-N 3.29Å; S1228-S1231 PolarHBondContact OG-OG 3.27Å; S1228-I1305 VanDerWaalsContact C-CG2 3.47Å
1229C90.2Very high94.2Very high8 Ų815.8 Ų15.85%0.0549%0.089CC..G310 helixtrans-61.8-26-178-167.30000112.9S1231 L1232 I1305 D1309 S1312 Y1313C1229-S1231 VanDerWaalsContact C-N 3.27Å; C1229-S1231 PolarHBondContact O-N 3.23Å; C1229-L1232 WeakPolarHBondContact O-CB 3.3Å; C1229-L1232 WeakPolarHBondContact O-CG 3.28Å; C1229-L1232 PolarHBondContact O-N 2.76Å; C1229-I1305 HydrophobicContact CB-CG2 4.05Å; C1229-I1305 VanDerWaalsContact N-CG2 3.31Å; C1229-D1309 PolarHBondContact SG-O 3.48Å; C1229-S1312 VanDerWaalsContact C-OG 3.28Å; C1229-S1312 WeakPolarHBondContact CB-OG 3.32Å; C1229-S1312 PolarHBondContact SG-OG 3.17Å; C1229-S1312 VanDerWaalsContact SG-OG 3.37Å; C1229-Y1313 VanDerWaalsContact O-CD1 3.31Å; C1229-Y1313 WeakPolarHBondContact O-CD1 3.4Å
1230S89.7Confident94.2Very high51 Ų5115.8 Ų15.836%0.3579%0.089SC..G310 helixtrans-67.5-21174.750.30000114.3S1228 L1232 R1233 S1312S1228-S1230 PolarHBondContact O-N 3.27Å; S1228-S1230 PolarHBondContact OG-OG 2.87Å; S1230-L1232 VanDerWaalsContact C-N 3.32Å; S1230-R1233 PolarHBondContact O-NH1 2.6Å; S1230-S1312 WeakPolarHBondContact CA-O 3.41Å; S1230-S1312 PolarHBondContact N-OG 3.02Å
1231S92.9Very high94Very high11 Ų1115.9 Ų15.98%0.0779%0.09CC..G310 helixtrans-82-7176.5-63.70000113.4Q1226 S1228 C1229 R1233 L1238Q1226-S1231 VanDerWaalsContact O-CB 3.22Å; Q1226-S1231 WeakPolarHBondContact O-CB 3.45Å; Q1226-S1231 PolarHBondContact O-OG 3.17Å; S1228-S1231 WeakPolarHBondContact O-CB 3.45Å; S1228-S1231 PolarHBondContact O-N 3.29Å; S1228-S1231 PolarHBondContact OG-OG 3.27Å; C1229-S1231 VanDerWaalsContact C-N 3.27Å; C1229-S1231 PolarHBondContact O-N 3.23Å; S1231-R1233 PolarHBondContact O-NH1 2.83Å; S1231-L1238 WeakPolarHBondContact O-CD2 3.4Å
1232L94.7Very high93.7Very high0 Ų015.7 Ų15.70%09%0.088CC..  trans-70.4150.1177.6-60.9-179.3000111.9C1229 S1230 W1251 Y1301 W1302 I1305 Y1313 N1437C1229-L1232 WeakPolarHBondContact O-CB 3.3Å; C1229-L1232 WeakPolarHBondContact O-CG 3.28Å; C1229-L1232 PolarHBondContact O-N 2.76Å; S1230-L1232 VanDerWaalsContact C-N 3.32Å; L1232-W1251 HydrophobicContact CB-CH2 4.23Å; L1232-W1251 HydrophobicContact CB-CZ2 4.43Å; L1232-W1251 HydrophobicContact CD1-CZ2 4.45Å; L1232-W1251 HydrophobicContact CD2-CZ2 4.46Å; L1232-Y1301 WeakPolarHBondContact CD2-OH 3.23Å; L1232-W1302 HydrophobicContact CD1-CH2 4.19Å; L1232-W1302 HydrophobicContact CD1-CZ3 4.42Å; L1232-I1305 HydrophobicContact CD2-CD1 4.08Å; L1232-Y1313 HydrophobicContact CB-CD1 3.89Å; L1232-Y1313 HydrophobicContact CB-CD2 3.99Å; L1232-Y1313 HydrophobicContact CB-CE1 4.01Å; L1232-Y1313 HydrophobicContact CB-CE2 4.1Å; L1232-Y1313 HydrophobicContact CB-CG 3.89Å; L1232-Y1313 HydrophobicContact CD1-CD1 4.31Å; L1232-Y1313 HydrophobicContact CD1-CE1 3.86Å; L1232-Y1313 WeakPolarHBondContact O-CB 3.25Å; L1232-N1437 PolarHBondContact O-ND2 3Å
1233R95.5Very high93.1Very high5 Ų517.2 Ų17.22%0.01910%0.1CC..  trans-143.598.7-172.3-63.1-69.7-178.4-90.49.7110.5S1230 S1231 R1235 G1236 L1238 W1251 M1357 N1437 F1439S1230-R1233 PolarHBondContact O-NH1 2.6Å; S1231-R1233 PolarHBondContact O-NH1 2.83Å; R1233-R1235 PolarHBondContact O-N 3.23Å; R1233-G1236 PolarHBondContact O-N 3.19Å; R1233-L1238 HydrophobicContact CB-CD1 4.3Å; R1233-W1251 WeakPolarHBondContact O-CZ3 3.35Å; R1233-M1357 HydrophobicContact CB-SD 3.9Å; R1233-M1357 HydrophobicContact CG-SD 3.64Å; R1233-N1437 PolarHBondContact NH1-OD1 3.07Å; R1233-F1439 PolarHBondContact NE-O 3.23Å; R1233-F1439 PolarHBondContact NH2-O 2.87Å
1234S96Very high92.5Very high2 Ų222.9 Ų22.91%0.01413%0.126CC..THydrogen-bonded Turntrans-56.9-18.6-177.3-59.20000115.1G1253 C1254 K1255 A1256 E1294 D1314 M1316S1234-G1253 CarbonylContact O-C 3.52Å; S1234-G1253 VanDerWaalsContact O-CA 3.24Å; S1234-G1253 WeakPolarHBondContact O-CA 3.06Å; S1234-C1254 PolarHBondContact O-N 3.13Å; S1234-K1255 CarbonylContact O-C 3.5Å; S1234-K1255 WeakPolarHBondContact O-CA 3.06Å; S1234-K1255 WeakPolarHBondContact O-CB 3.41Å; S1234-K1255 PolarHBondContact O-N 3.3Å; S1234-A1256 PolarHBondContact O-N 2.67Å; S1234-E1294 VanDerWaalsContact CA-OE2 3.32Å; S1234-E1294 WeakPolarHBondContact CA-OE2 3.44Å; S1234-E1294 WeakPolarHBondContact CB-OE2 3.26Å; S1234-E1294 VanDerWaalsContact OG-CD 3.23Å; S1234-E1294 PolarHBondContact OG-OE1 3.44Å; S1234-E1294 PolarHBondContact OG-OE2 3.14Å; S1234-D1314 PolarHBondContact OG-O 3.42Å; S1234-D1314 VanDerWaalsContact OG-O 3.1Å; S1234-M1316 PolarHBondContact OG-N 3.11Å
1235R95.3Very high92Very high11 Ų1127.1 Ų27.14%0.04215%0.146CC..THydrogen-bonded Turntrans-93.8-11175.7-55.4-175.166.1-169.82.1114.5R1233 K1255 A1256 M1316 F1323 F1325 A1356 N1377R1233-R1235 PolarHBondContact O-N 3.23Å; R1235-K1255 HydrophobicContact CG-CB 4.21Å; R1235-A1256 WeakPolarHBondContact O-CA 3.2Å; R1235-M1316 HydrophobicContact CG-CE 3.91Å; R1235-M1316 HydrophobicContact CG-SD 3.65Å; R1235-F1323 PolarHBondContact NH2-O 3.09Å; R1235-F1325 VanDerWaalsContact NH1-CE2 3.33Å; R1235-F1325 PolarHBondContact NH2-O 2.81Å; R1235-A1356 HydrophobicContact CB-CB 3.82Å; R1235-A1356 VanDerWaalsContact O-CB 3.28Å; R1235-A1356 WeakPolarHBondContact O-CB 3.23Å; R1235-N1377 PolarHBondContact NH1-OD1 3.16Å
1236G95.4Very high91.6Very high3 Ų327.5 Ų27.53%0.03115%0.151CC..SBendtrans-107.6-167.4-174.600000113.7R1233 G1253 A1256R1233-G1236 PolarHBondContact O-N 3.19Å; G1236-G1253 PolarHBondContact O-N 3.31Å; G1236-G1253 VanDerWaalsContact O-N 3.12Å; G1236-A1256 WeakPolarHBondContact O-CB 3.29Å
1237S97.6Very high91.7Very high1 Ų122.5 Ų22.51%0.00713%0.129CC..EExtended strand (participates in β ladder)trans-137.9146.1167.7-65.70000108.6V1212 W1251 H1252V1212-S1237 WeakPolarHBondContact CB-O 3.49Å; V1212-S1237 WeakPolarHBondContact CG2-O 3.44Å; V1212-S1237 PolarHBondContact N-O 2.92Å; S1237-W1251 CarbonylContact C-O 3.33Å; S1237-W1251 VanDerWaalsContact CA-O 3.28Å; S1237-W1251 WeakPolarHBondContact CA-O 3.43Å; S1237-H1252 PolarHBondContact OG-ND1 3.31Å
1238L97.6Very high91.8Very high0 Ų020.6 Ų20.60%012%0.116CC..EExtended strand (participates in β ladder)trans-132.4151.1-176.1-67.696.5000110.4L1209 F1210 V1225 S1231 R1233 W1251L1209-L1238 HydrophobicContact CD1-CB 4.04Å; L1209-L1238 HydrophobicContact CD1-CD2 3.99Å; L1209-L1238 HydrophobicContact CD2-CD2 4.03Å; L1209-L1238 HydrophobicContact CG-CD2 3.97Å; F1210-L1238 CarbonylContact O-C 3.58Å; F1210-L1238 WeakPolarHBondContact O-CA 3.47Å; F1210-L1238 WeakPolarHBondContact O-CB 3.32Å; V1225-L1238 HydrophobicContact CG2-CD2 4.34Å; S1231-L1238 WeakPolarHBondContact O-CD2 3.4Å; R1233-L1238 HydrophobicContact CB-CD1 4.3Å; L1238-W1251 HydrophobicContact CB-CE3 4.47Å; L1238-W1251 HydrophobicContact CD1-CE3 3.55Å; L1238-W1251 HydrophobicContact CD1-CZ3 3.53Å; L1238-W1251 PolarHBondContact N-O 3.29Å; L1238-W1251 PolarHBondContact O-N 3.14Å
1239V97Very high92.2Very high0 Ų019.8 Ų19.80%011%0.11CC..EExtended strand (participates in β ladder)trans-113.3113.9175.4-1760000107.4F1210 V1212 L1222 I1248 L1250 V1268F1210-V1239 HydrophobicContact CB-CB 4.37Å; F1210-V1239 PolarHBondContact N-O 2.92Å; F1210-V1239 PolarHBondContact O-N 2.76Å; V1212-V1239 HydrophobicContact CG2-CG2 3.9Å; L1222-V1239 HydrophobicContact CD2-CG2 3.97Å; V1239-I1248 HydrophobicContact CG1-CG2 3.8Å; V1239-L1250 HydrophobicContact CG2-CD1 4.38Å; V1239-V1268 HydrophobicContact CB-CG2 4.49Å; V1239-V1268 HydrophobicContact CG1-CG2 4.05Å; V1239-V1268 HydrophobicContact CG2-CG2 3.56Å
1240L95.2Very high92.5Very high0 Ų019.6 Ų19.60%011%0.108CC..EExtended strand (participates in β ladder)trans-100.8118172.4175.669.7000108.1W1207 L1209 I1248 Y1249 Y1301 A1304 I1305W1207-L1240 HydrophobicContact CB-CD1 4.48Å; W1207-L1240 HydrophobicContact CE3-CD1 3.78Å; W1207-L1240 HydrophobicContact CE3-CD2 4.05Å; W1207-L1240 HydrophobicContact CE3-CG 3.64Å; W1207-L1240 HydrophobicContact CZ3-CD2 4.12Å; W1207-L1240 HydrophobicContact CZ3-CG 3.9Å; L1209-L1240 HydrophobicContact CB-CD1 4.36Å; L1209-L1240 HydrophobicContact CD1-CB 3.92Å; L1209-L1240 HydrophobicContact CD1-CD1 4.16Å; L1240-I1248 WeakPolarHBondContact O-CA 3.44Å; L1240-Y1249 HydrophobicContact CD2-CD2 3.86Å; L1240-Y1249 HydrophobicContact CG-CD2 4.35Å; L1240-Y1249 PolarHBondContact N-O 3.16Å; L1240-Y1249 PolarHBondContact O-N 2.65Å; L1240-Y1301 HydrophobicContact CB-CE2 4.1Å; L1240-Y1301 HydrophobicContact CD2-CD2 3.44Å; L1240-Y1301 VanDerWaalsContact CD2-CD2 3.44Å; L1240-Y1301 HydrophobicContact CD2-CE2 3.57Å; L1240-Y1301 HydrophobicContact CD2-CG 4.11Å; L1240-Y1301 HydrophobicContact CG-CE2 4.5Å; L1240-A1304 HydrophobicContact CD1-CB 4.44Å; L1240-A1304 HydrophobicContact CD2-CB 3.82Å; L1240-I1305 HydrophobicContact CD1-CD1 4.36Å; L1240-I1305 HydrophobicContact CD1-CG1 4.08Å; L1240-I1305 HydrophobicContact CD2-CD1 4.04Å; L1240-I1305 HydrophobicContact CD2-CG1 3.95Å
1241L92.9Very high92.9Very high3 Ų317.2 Ų17.22%0.0169%0.091CC..EExtended strand (participates in β ladder)trans-117.1137.9-172.7168.865.8000111.5R1208 F1210 I1248 L1279 L1281 M1287R1208-L1241 PolarHBondContact N-O 3.06Å; R1208-L1241 PolarHBondContact O-N 2.85Å; F1210-L1241 HydrophobicContact CE2-CB 4.47Å; F1210-L1241 HydrophobicContact CE2-CD2 4.4Å; L1241-I1248 HydrophobicContact CD1-CD1 4.15Å; L1241-I1248 HydrophobicContact CD1-CG1 3.58Å; L1241-L1279 HydrophobicContact CD2-CB 4.11Å; L1241-L1279 HydrophobicContact CD2-CD1 3.71Å; L1241-L1279 HydrophobicContact CD2-CD2 3.86Å; L1241-L1279 HydrophobicContact CD2-CG 4.11Å; L1241-L1281 HydrophobicContact CD1-CD2 4.35Å; L1241-M1287 HydrophobicContact CD1-SD 4.15Å
1242N89.8Confident93.2Very high1 Ų116.7 Ų16.71%0.0059%0.088CC..EExtended strand (participates in β ladder)trans-128.6107.8161.9-176.6-30.7000109.9A1206 W1207 Q1244 Q1245 G1246 T1247A1206-N1242 WeakPolarHBondContact CB-ND2 3.23Å; A1206-N1242 VanDerWaalsContact O-CA 3.25Å; A1206-N1242 WeakPolarHBondContact O-CA 3.24Å; A1206-N1242 WeakPolarHBondContact O-CB 3.47Å; A1206-N1242 PolarHBondContact O-ND2 3.49Å; A1206-N1242 VanDerWaalsContact O-ND2 3.11Å; A1206-N1242 PolarHBondContact O-OD1 3.33Å; W1207-N1242 HydrophobicContact CD2-CB 3.81Å; W1207-N1242 VanDerWaalsContact CE2-ND2 3.25Å; W1207-N1242 HydrophobicContact CE3-CB 3.56Å; W1207-N1242 HydrophobicContact CH2-CB 3.48Å; W1207-N1242 VanDerWaalsContact CH2-CB 3.48Å; W1207-N1242 HydrophobicContact CZ2-CB 3.75Å; W1207-N1242 VanDerWaalsContact CZ2-ND2 3.31Å; W1207-N1242 WeakPolarHBondContact CZ2-ND2 3.34Å; W1207-N1242 HydrophobicContact CZ3-CB 3.4Å; N1242-Q1244 WeakPolarHBondContact OD1-CA 3.44Å; N1242-Q1244 WeakPolarHBondContact OD1-CB 3.39Å; N1242-Q1244 PolarHBondContact OD1-N 2.9Å; N1242-Q1245 HydrophobicContact CB-CB 4.22Å; N1242-Q1245 WeakPolarHBondContact ND2-CG 3.18Å; N1242-Q1245 PolarHBondContact ND2-NE2 2.79Å; N1242-Q1245 PolarHBondContact ND2-OE1 3.41Å; N1242-Q1245 PolarHBondContact OD1-N 2.96Å; N1242-G1246 WeakPolarHBondContact O-CA 3.33Å; N1242-G1246 PolarHBondContact O-N 2.92Å; N1242-T1247 PolarHBondContact N-O 3.39Å; N1242-T1247 PolarHBondContact O-N 2.72Å
1243S83.3Confident93.3Very high37 Ų3716.7 Ų16.726%0.2599%0.088SC..THydrogen-bonded Turntrans-77.5-21.8-179.750.30000114L1279S1243-L1279 WeakPolarHBondContact CB-O 3.49Å; S1243-L1279 PolarHBondContact OG-O 2.84Å
1244Q81.7Confident93.3Very high132 Ų13218.6 Ų18.662%0.61710%0.101SC*.THydrogen-bonded Turntrans-72.1-38.6173.8-58.9-178.3-6.400111.6A1206 N1242A1206-Q1244 HydrophobicContact CB-CG 4.43Å; N1242-Q1244 WeakPolarHBondContact OD1-CA 3.44Å; N1242-Q1244 WeakPolarHBondContact OD1-CB 3.39Å; N1242-Q1244 PolarHBondContact OD1-N 2.9Å
1245Q84.4Confident93.3Very high120 Ų12020.6 Ų20.656%0.56111%0.11SC*.THydrogen-bonded Turntrans-87.5-15.7177.1-65.6-179.85.500113.2N1242N1242-Q1245 HydrophobicContact CB-CB 4.22Å; N1242-Q1245 WeakPolarHBondContact ND2-CG 3.18Å; N1242-Q1245 PolarHBondContact ND2-NE2 2.79Å; N1242-Q1245 PolarHBondContact ND2-OE1 3.41Å; N1242-Q1245 PolarHBondContact OD1-N 2.96Å
1246G86Confident93.3Very high16 Ų1620.5 Ų20.517%0.16511%0.111CC..THydrogen-bonded Turntrans68.731.6-173.500000113.2N1242 M1287 N1288N1242-G1246 WeakPolarHBondContact O-CA 3.33Å; N1242-G1246 PolarHBondContact O-N 2.92Å; G1246-M1287 CarbonylContact O-C 3.56Å; G1246-M1287 VanDerWaalsContact O-CA 3.25Å; G1246-M1287 WeakPolarHBondContact O-CA 3.25Å; G1246-N1288 PolarHBondContact O-N 3.47Å
1247T90.3Very high93.3Very high13 Ų1322.4 Ų22.48%0.0812%0.12CC..EExtended strand (participates in β ladder)trans-112.6132.4-173.8-60.50000111.2W1207 N1242 Y1249W1207-T1247 HydrophobicContact CH2-CG2 4.42Å; N1242-T1247 PolarHBondContact N-O 3.39Å; N1242-T1247 PolarHBondContact O-N 2.72Å; T1247-Y1249 HydrophobicContact CG2-CD2 4.06Å; T1247-Y1249 HydrophobicContact CG2-CE1 4.31Å; T1247-Y1249 HydrophobicContact CG2-CE2 3.62Å
1248I94Very high93.1Very high0 Ų025.7 Ų25.70%014%0.142CC..EExtended strand (participates in β ladder)trans-120.4123167.4-71.7176.6000108.5V1239 L1240 L1241 V1268 M1287 N1288 I1289 Q1290V1239-I1248 HydrophobicContact CG1-CG2 3.8Å; L1240-I1248 WeakPolarHBondContact O-CA 3.44Å; L1241-I1248 HydrophobicContact CD1-CD1 4.15Å; L1241-I1248 HydrophobicContact CD1-CG1 3.58Å; I1248-V1268 HydrophobicContact CD1-CG1 4.43Å; I1248-V1268 HydrophobicContact CG2-CG1 4.16Å; I1248-V1268 HydrophobicContact CG2-CG2 4.48Å; I1248-M1287 HydrophobicContact CD1-CE 3.56Å; I1248-M1287 HydrophobicContact CD1-SD 3.65Å; I1248-M1287 HydrophobicContact CG1-SD 4.02Å; I1248-N1288 PolarHBondContact N-O 3.22Å; I1248-I1289 HydrophobicContact CB-CG1 4.36Å; I1248-I1289 HydrophobicContact CG2-CG2 4.48Å; I1248-I1289 CarbonylContact O-C 3.56Å; I1248-I1289 WeakPolarHBondContact O-CA 3.23Å; I1248-Q1290 PolarHBondContact O-N 2.9Å
1249Y96.3Very high93Very high2 Ų229.8 Ų29.81%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-97.2113.4161.1-56-82.5000109.2W1207 L1240 T1247 W1251 Q1290 V1292 P1298 E1300 Y1301W1207-Y1249 HydrophobicContact CH2-CD2 4.28Å; W1207-Y1249 AromaticContact CH2-CE2 3.66Å; W1207-Y1249 HydrophobicContact CH2-CE2 3.66Å; W1207-Y1249 HydrophobicContact CZ3-CD2 4.02Å; W1207-Y1249 AromaticContact CZ3-CE2 3.88Å; W1207-Y1249 HydrophobicContact CZ3-CE2 3.88Å; L1240-Y1249 HydrophobicContact CD2-CD2 3.86Å; L1240-Y1249 HydrophobicContact CG-CD2 4.35Å; L1240-Y1249 PolarHBondContact N-O 3.16Å; L1240-Y1249 PolarHBondContact O-N 2.65Å; T1247-Y1249 HydrophobicContact CG2-CD2 4.06Å; T1247-Y1249 HydrophobicContact CG2-CE1 4.31Å; T1247-Y1249 HydrophobicContact CG2-CE2 3.62Å; Y1249-W1251 PolarHBondContact O-N 3.18Å; Y1249-Q1290 CarbonylContact C-O 3.35Å; Y1249-Q1290 WeakPolarHBondContact CA-O 3.45Å; Y1249-Q1290 HydrophobicContact CD1-CB 3.77Å; Y1249-Q1290 HydrophobicContact CD1-CG 4.43Å; Y1249-Q1290 HydrophobicContact CE1-CB 4.18Å; Y1249-Q1290 HydrophobicContact CE1-CG 4.37Å; Y1249-V1292 HydrophobicContact CD1-CG2 3.83Å; Y1249-V1292 HydrophobicContact CG-CG2 4.48Å; Y1249-P1298 HydrophobicContact CD1-CG 4.28Å; Y1249-P1298 HydrophobicContact CE1-CG 3.69Å; Y1249-E1300 WeakPolarHBondContact OH-CB 3.36Å; Y1249-E1300 PolarHBondContact OH-OE2 3.12Å; Y1249-Y1301 HydrophobicContact CD1-CD2 4.44Å; Y1249-Y1301 AromaticContact CD2-CD2 3.99Å; Y1249-Y1301 HydrophobicContact CD2-CD2 3.99Å; Y1249-Y1301 AromaticContact CG-CD2 3.83Å; Y1249-Y1301 HydrophobicContact CG-CD2 3.83Å
1250L97.8Very high92.9Very high4 Ų431 Ų312%0.02117%0.17CC..EExtended strand (participates in β ladder)trans-85.297.1167.7170.954.4000108V1239 A1264 K1265 V1268 Q1290 V1292V1239-L1250 HydrophobicContact CG2-CD1 4.38Å; L1250-A1264 HydrophobicContact CD1-CB 3.77Å; L1250-K1265 HydrophobicContact CD2-CG 3.65Å; L1250-V1268 HydrophobicContact CD1-CG2 4.34Å; L1250-V1268 HydrophobicContact CD2-CG2 4.49Å; L1250-Q1290 PolarHBondContact N-O 3.2Å; L1250-V1292 PolarHBondContact O-N 2.92Å
1251W98Very high93Very high0 Ų033.2 Ų33.20%018%0.178CC..EExtended strand (participates in β ladder)trans-88.6126.7-178.9-175.997.5000110.9L1232 R1233 S1237 L1238 Y1249 V1292 E1294 E1297 Y1301L1232-W1251 HydrophobicContact CB-CH2 4.23Å; L1232-W1251 HydrophobicContact CB-CZ2 4.43Å; L1232-W1251 HydrophobicContact CD1-CZ2 4.45Å; L1232-W1251 HydrophobicContact CD2-CZ2 4.46Å; R1233-W1251 WeakPolarHBondContact O-CZ3 3.35Å; S1237-W1251 CarbonylContact C-O 3.33Å; S1237-W1251 VanDerWaalsContact CA-O 3.28Å; S1237-W1251 WeakPolarHBondContact CA-O 3.43Å; L1238-W1251 HydrophobicContact CB-CE3 4.47Å; L1238-W1251 HydrophobicContact CD1-CE3 3.55Å; L1238-W1251 HydrophobicContact CD1-CZ3 3.53Å; L1238-W1251 PolarHBondContact N-O 3.29Å; L1238-W1251 PolarHBondContact O-N 3.14Å; Y1249-W1251 PolarHBondContact O-N 3.18Å; W1251-V1292 CarbonylContact C-O 3.57Å; W1251-V1292 WeakPolarHBondContact CA-O 3.27Å; W1251-E1294 HydrophobicContact CH2-CB 4.27Å; W1251-E1294 HydrophobicContact CH2-CG 4.28Å; W1251-E1294 HydrophobicContact CZ2-CB 3.59Å; W1251-E1294 HydrophobicContact CZ2-CG 3.57Å; W1251-E1297 PolarHBondContact NE1-OE1 3.23Å; W1251-Y1301 HydrophobicContact CB-CE2 4.02Å; W1251-Y1301 WeakPolarHBondContact CB-OH 3.36Å; W1251-Y1301 AromaticContact CD1-CE1 3.94Å; W1251-Y1301 AromaticContact CD1-CE2 3.96Å; W1251-Y1301 AromaticContact CD1-CZ 3.43Å; W1251-Y1301 VanDerWaalsContact CD1-CZ 3.43Å; W1251-Y1301 HydrophobicContact CG-CE2 4.26Å; W1251-Y1301 AromaticContact CG-CZ 3.85Å; W1251-Y1301 VanDerWaalsContact CG-OH 3.23Å
1252H98.2Very high93.2Very high0 Ų037.5 Ų37.50%020%0.198CC..EExtended strand (participates in β ladder)trans-110.5121.8175-67.9-41.3000110.1S1237 K1265 E1291 V1292 E1294S1237-H1252 PolarHBondContact OG-ND1 3.31Å; H1252-K1265 WeakPolarHBondContact NE2-CE 3.4Å; H1252-E1291 IonicContact CD2-OE1 2.7Å; H1252-E1291 PolarHBondContact CD2-OE1 2.95Å; H1252-E1291 IonicContact NE2-OE1 3.62Å; H1252-E1291 PolarHBondContact NE2-OE1 3.13Å; H1252-V1292 PolarHBondContact N-O 3.19Å; H1252-E1294 PolarHBondContact O-N 3.1Å
1253G96.6Very high93.5Very high0 Ų037.5 Ų37.50%020%0.198CC..  trans-60.2150.2171.900000112.3S1234 G1236 K1255 A1256 R1261S1234-G1253 CarbonylContact O-C 3.52Å; S1234-G1253 VanDerWaalsContact O-CA 3.24Å; S1234-G1253 WeakPolarHBondContact O-CA 3.06Å; G1236-G1253 PolarHBondContact O-N 3.31Å; G1236-G1253 VanDerWaalsContact O-N 3.12Å; G1253-K1255 PolarHBondContact O-N 2.86Å; G1253-A1256 WeakPolarHBondContact O-CB 3.26Å; G1253-A1256 PolarHBondContact O-N 2.88Å; G1253-R1261 PolarHBondContact O-NH2 3.46Å; G1253-R1261 VanDerWaalsContact O-NH2 3.1Å
1254C95.5Very high94.2Very high45 Ų4535.7 Ų35.730%0.30419%0.186SC..THydrogen-bonded Turntrans-65.8-13.4-17767.10000113.8S1234 E1294 M1316 L1317S1234-C1254 PolarHBondContact O-N 3.13Å; C1254-E1294 HydrophobicContact CB-CB 4.18Å; C1254-E1294 WeakPolarHBondContact CB-OE2 3.43Å; C1254-E1294 PolarHBondContact N-OE2 3.07Å; C1254-E1294 PolarHBondContact SG-OE2 2.88Å; C1254-M1316 VanDerWaalsContact SG-C 3.53Å; C1254-L1317 HydrophobicContact CB-CD2 3.98Å
1255K95.6Very high95Very high44 Ų4432.9 Ų32.919%0.19117%0.171CC..THydrogen-bonded Turntrans-113.18.3172.9-49.2-57.9-173.2169.70113.1S1234 R1235 G1253 H1257 M1316 D1319 G1321 F1323S1234-K1255 CarbonylContact O-C 3.5Å; S1234-K1255 WeakPolarHBondContact O-CA 3.06Å; S1234-K1255 WeakPolarHBondContact O-CB 3.41Å; S1234-K1255 PolarHBondContact O-N 3.3Å; R1235-K1255 HydrophobicContact CG-CB 4.21Å; G1253-K1255 PolarHBondContact O-N 2.86Å; K1255-H1257 PolarHBondContact O-N 2.79Å; K1255-M1316 HydrophobicContact CB-SD 4.37Å; K1255-M1316 HydrophobicContact CD-CB 4.39Å; K1255-M1316 WeakPolarHBondContact CE-O 3.28Å; K1255-M1316 HydrophobicContact CG-CB 3.74Å; K1255-M1316 HydrophobicContact CG-CG 4.34Å; K1255-M1316 HydrophobicContact CG-SD 3.67Å; K1255-D1319 PolarHBondContact NZ-O 3.37Å; K1255-G1321 PolarHBondContact NZ-O 3Å; K1255-F1323 HydrophobicContact CB-CB 4.22Å; K1255-F1323 HydrophobicContact CB-CD2 4.34Å; K1255-F1323 HydrophobicContact CB-CG 4.49Å; K1255-F1323 HydrophobicContact CD-CD2 3.76Å; K1255-F1323 HydrophobicContact CD-CE2 4.26Å; K1255-F1323 HydrophobicContact CG-CD2 3.78Å; K1255-F1323 HydrophobicContact CG-CE2 4.33Å; K1255-F1323 HydrophobicContact CG-CG 4.34Å
1256A95.6Very high95.6Very high9 Ų929.1 Ų29.17%0.07415%0.154CC..  trans-61.8118.2-178.500000111.6S1234 R1235 G1236 G1253 R1261S1234-A1256 PolarHBondContact O-N 2.67Å; R1235-A1256 WeakPolarHBondContact O-CA 3.2Å; G1236-A1256 WeakPolarHBondContact O-CB 3.29Å; G1253-A1256 WeakPolarHBondContact O-CB 3.26Å; G1253-A1256 PolarHBondContact O-N 2.88Å; A1256-R1261 HydrophobicContact CB-CG 4.12Å; A1256-R1261 PolarHBondContact O-NE 2.96Å
1257H95Very high96.1Very high44 Ų4428.4 Ų28.420%0.20415%0.146CC..  trans-64.8147.4-176.2-172.3-117.5000111.9K1255 K1259 A1260 R1261 I1354K1255-H1257 PolarHBondContact O-N 2.79Å; H1257-K1259 PolarHBondContact O-N 2.78Å; H1257-K1259 VanDerWaalsContact O-N 3.13Å; H1257-A1260 PolarHBondContact O-N 3.46Å; H1257-R1261 PolarHBondContact O-N 2.92Å; H1257-I1354 HydrophobicContact CB-CG2 4.41Å
1258S94.9Very high96.4Very high69 Ų6928 Ų2848%0.48314%0.143SC..Hα-helixtrans-57.6-32.1-175570000113.5Q1262S1258-Q1262 WeakPolarHBondContact O-CG 3.26Å; S1258-Q1262 PolarHBondContact O-N 3.07Å
1259K94.4Very high96.4Very high86 Ų8633.2 Ų33.237%0.37417%0.168SC..Hα-helixtrans-69.5-45.4173.7-74.4-75164.9-163.90112.9H1257 R1261 Q1262 V1263 V1353H1257-K1259 PolarHBondContact O-N 2.78Å; H1257-K1259 VanDerWaalsContact O-N 3.13Å; K1259-R1261 VanDerWaalsContact C-N 3.26Å; K1259-R1261 PolarHBondContact O-N 2.85Å; K1259-Q1262 WeakPolarHBondContact O-CA 3.47Å; K1259-Q1262 WeakPolarHBondContact O-CB 3.45Å; K1259-Q1262 PolarHBondContact O-N 3.33Å; K1259-V1263 WeakPolarHBondContact O-CG2 3.18Å; K1259-V1263 PolarHBondContact O-N 2.83Å; K1259-V1353 HydrophobicContact CB-CG1 4.18Å; K1259-V1353 HydrophobicContact CG-CG1 4.46Å
1260A94.7Very high96.2Very high25 Ų2536 Ų3621%0.20718%0.179CC..Hα-helixtrans-60.4-37.3174.300000111.8H1257 V1263 A1264H1257-A1260 PolarHBondContact O-N 3.46Å; A1260-V1263 PolarHBondContact O-N 2.97Å; A1260-A1264 WeakPolarHBondContact O-CB 3.44Å; A1260-A1264 PolarHBondContact O-N 3.15Å
1261R97.2Very high95.9Very high48 Ų4835.9 Ų35.918%0.18118%0.178CC..Hα-helixtrans-63.7-38.4172-65176.5172.9-118.9-5.5112.6G1253 A1256 H1257 K1259 K1265 E1293G1253-R1261 PolarHBondContact O-NH2 3.46Å; G1253-R1261 VanDerWaalsContact O-NH2 3.1Å; A1256-R1261 HydrophobicContact CB-CG 4.12Å; A1256-R1261 PolarHBondContact O-NE 2.96Å; H1257-R1261 PolarHBondContact O-N 2.92Å; K1259-R1261 VanDerWaalsContact C-N 3.26Å; K1259-R1261 PolarHBondContact O-N 2.85Å; R1261-K1265 WeakPolarHBondContact O-CG 3.48Å; R1261-K1265 PolarHBondContact O-N 2.92Å; R1261-K1265 VanDerWaalsContact O-N 3.12Å; R1261-E1293 IonicContact CZ-OE1 3.91Å; R1261-E1293 IonicContact CZ-OE2 3.72Å; R1261-E1293 IonicContact NH1-OE1 2.8Å; R1261-E1293 PolarHBondContact NH1-OE1 2.85Å; R1261-E1293 IonicContact NH1-OE2 2.7Å; R1261-E1293 PolarHBondContact NH1-OE2 3.37Å; R1261-E1293 IonicContact NH2-OE1 2.62Å; R1261-E1293 IonicContact NH2-OE2 2.67Å; R1261-E1293 PolarHBondContact NH2-OE2 2.95Å
1262Q97.3Very high95.5Very high93 Ų9337.9 Ų37.944%0.43519%0.19SC..Hα-helixtrans-66-42.8174.2-75.4174.9-10.200112P1217 S1258 K1259 K1265 H1266P1217-Q1262 HydrophobicContact CG-CB 4.48Å; S1258-Q1262 WeakPolarHBondContact O-CG 3.26Å; S1258-Q1262 PolarHBondContact O-N 3.07Å; K1259-Q1262 WeakPolarHBondContact O-CA 3.47Å; K1259-Q1262 WeakPolarHBondContact O-CB 3.45Å; K1259-Q1262 PolarHBondContact O-N 3.33Å; Q1262-K1265 PolarHBondContact O-N 3.13Å; Q1262-H1266 PolarHBondContact O-N 3.47Å; Q1262-H1266 VanDerWaalsContact O-N 3.13Å
1263V97.3Very high95Very high0 Ų043.9 Ų43.90%022%0.218CC..Hα-helixtrans-59.8-50.1174.2178.60000110.5V1212 R1213 K1259 A1260 K1265 H1266 T1267V1212-V1263 HydrophobicContact CG1-CG1 4Å; R1213-V1263 WeakPolarHBondContact O-CG1 3.32Å; K1259-V1263 WeakPolarHBondContact O-CG2 3.18Å; K1259-V1263 PolarHBondContact O-N 2.83Å; A1260-V1263 PolarHBondContact O-N 2.97Å; V1263-K1265 VanDerWaalsContact C-N 3.31Å; V1263-K1265 PolarHBondContact O-N 3.11Å; V1263-H1266 WeakPolarHBondContact O-CB 3.42Å; V1263-H1266 PolarHBondContact O-N 2.84Å; V1263-H1266 VanDerWaalsContact O-N 3.07Å; V1263-T1267 HydrophobicContact CG1-CG2 4.24Å; V1263-T1267 PolarHBondContact O-N 3.41Å; V1263-T1267 PolarHBondContact O-OG1 3.08Å
1264A97.8Very high94.5Very high0 Ų046.4 Ų46.40%023%0.234CC..Hα-helixtrans-62.7-32.4-178.300000114.4V1212 L1250 A1260 T1267 V1268V1212-A1264 HydrophobicContact CB-CB 4.22Å; V1212-A1264 HydrophobicContact CG1-CB 3.9Å; V1212-A1264 HydrophobicContact CG2-CB 3.85Å; L1250-A1264 HydrophobicContact CD1-CB 3.77Å; A1260-A1264 WeakPolarHBondContact O-CB 3.44Å; A1260-A1264 PolarHBondContact O-N 3.15Å; A1264-T1267 WeakPolarHBondContact CA-OG1 3.48Å; A1264-T1267 PolarHBondContact O-OG1 2.76Å; A1264-T1267 VanDerWaalsContact O-OG1 3.09Å; A1264-V1268 WeakPolarHBondContact O-CG2 3.36Å; A1264-V1268 PolarHBondContact O-N 2.83Å
1265K97.6Very high94Very high72 Ų7245 Ų4531%0.31322%0.224SC..Hα-helixtrans-71.4-39.7172.8-70.4-179.9-166-151.40111.6L1250 H1252 R1261 Q1262 V1263 Q1269 E1291L1250-K1265 HydrophobicContact CD2-CG 3.65Å; H1252-K1265 WeakPolarHBondContact NE2-CE 3.4Å; R1261-K1265 WeakPolarHBondContact O-CG 3.48Å; R1261-K1265 PolarHBondContact O-N 2.92Å; R1261-K1265 VanDerWaalsContact O-N 3.12Å; Q1262-K1265 PolarHBondContact O-N 3.13Å; V1263-K1265 VanDerWaalsContact C-N 3.31Å; V1263-K1265 PolarHBondContact O-N 3.11Å; K1265-Q1269 WeakPolarHBondContact O-CB 3.5Å; K1265-Q1269 WeakPolarHBondContact O-CG 3.26Å; K1265-Q1269 PolarHBondContact O-N 3.16Å; K1265-E1291 VanDerWaalsContact CE-OE1 3.31Å; K1265-E1291 WeakPolarHBondContact CE-OE1 3.44Å; K1265-E1291 VanDerWaalsContact CE-OE2 3.31Å; K1265-E1291 WeakPolarHBondContact CE-OE2 3.31Å; K1265-E1291 IonicContact NZ-OE1 2.75Å; K1265-E1291 PolarHBondContact NZ-OE1 2.93Å; K1265-E1291 IonicContact NZ-OE2 3.79Å; K1265-E1291 PolarHBondContact NZ-OE2 3.04Å
1266H97.7Very high93.5Very high42 Ų4242.9 Ų42.919%0.19422%0.215CC..Hα-helixtrans-65.5-45.5175.7-175.498.6000111.7Q1190 P1217 Q1262 V1263 V1268 Q1269 R1270Q1190-H1266 PolarHBondContact O-NE2 3.04Å; P1217-H1266 HydrophobicContact CB-CB 3.72Å; P1217-H1266 PolarHBondContact O-CD2 3.1Å; Q1262-H1266 PolarHBondContact O-N 3.47Å; Q1262-H1266 VanDerWaalsContact O-N 3.13Å; V1263-H1266 WeakPolarHBondContact O-CB 3.42Å; V1263-H1266 PolarHBondContact O-N 2.84Å; V1263-H1266 VanDerWaalsContact O-N 3.07Å; H1266-V1268 PolarHBondContact O-N 2.79Å; H1266-Q1269 WeakPolarHBondContact O-CB 3.48Å; H1266-Q1269 PolarHBondContact O-N 3.38Å; H1266-R1270 WeakPolarHBondContact NE2-CG 3.47Å; H1266-R1270 VanDerWaalsContact O-CG 3.26Å; H1266-R1270 WeakPolarHBondContact O-CG 3.32Å; H1266-R1270 PolarHBondContact O-N 3.11Å
1267T96.9Very high92.8Very high1 Ų146 Ų461%0.00624%0.236CC..Hα-helixtrans-61.3-42.7177.858.10000111.9G1191 V1212 V1263 A1264 R1270 L1271G1191-T1267 WeakPolarHBondContact O-CA 3.25Å; V1212-T1267 HydrophobicContact CG1-CG2 4.46Å; V1263-T1267 HydrophobicContact CG1-CG2 4.24Å; V1263-T1267 PolarHBondContact O-N 3.41Å; V1263-T1267 PolarHBondContact O-OG1 3.08Å; A1264-T1267 WeakPolarHBondContact CA-OG1 3.48Å; A1264-T1267 PolarHBondContact O-OG1 2.76Å; A1264-T1267 VanDerWaalsContact O-OG1 3.09Å; T1267-R1270 PolarHBondContact O-N 2.94Å; T1267-L1271 WeakPolarHBondContact O-CB 3.4Å; T1267-L1271 PolarHBondContact O-N 3.29Å
1268V95.3Very high92.3Very high3 Ų346.9 Ų46.92%0.01824%0.24CC..Hα-helixtrans-65.5-38.8174.9171.70000112.1V1239 I1248 L1250 A1264 H1266 L1271 T1272 I1289V1239-V1268 HydrophobicContact CB-CG2 4.49Å; V1239-V1268 HydrophobicContact CG1-CG2 4.05Å; V1239-V1268 HydrophobicContact CG2-CG2 3.56Å; I1248-V1268 HydrophobicContact CD1-CG1 4.43Å; I1248-V1268 HydrophobicContact CG2-CG1 4.16Å; I1248-V1268 HydrophobicContact CG2-CG2 4.48Å; L1250-V1268 HydrophobicContact CD1-CG2 4.34Å; L1250-V1268 HydrophobicContact CD2-CG2 4.49Å; A1264-V1268 WeakPolarHBondContact O-CG2 3.36Å; A1264-V1268 PolarHBondContact O-N 2.83Å; H1266-V1268 PolarHBondContact O-N 2.79Å; V1268-L1271 PolarHBondContact O-N 3.27Å; V1268-T1272 WeakPolarHBondContact O-CB 3.4Å; V1268-T1272 PolarHBondContact O-N 3.29Å; V1268-T1272 PolarHBondContact O-OG1 2.96Å; V1268-I1289 HydrophobicContact CG1-CD1 3.97Å; V1268-I1289 HydrophobicContact CG1-CG1 4.22Å; V1268-I1289 HydrophobicContact CG1-CG2 3.95Å
1269Q94.4Very high91.7Very high110 Ų11043.7 Ų43.751%0.51422%0.218SC..Hα-helixtrans-61.6-46.5173.3-77.2169.2-11.500111.6K1265 H1266 T1272 Q1273K1265-Q1269 WeakPolarHBondContact O-CB 3.5Å; K1265-Q1269 WeakPolarHBondContact O-CG 3.26Å; K1265-Q1269 PolarHBondContact O-N 3.16Å; H1266-Q1269 WeakPolarHBondContact O-CB 3.48Å; H1266-Q1269 PolarHBondContact O-N 3.38Å; Q1269-T1272 PolarHBondContact O-N 3.09Å; Q1269-Q1273 WeakPolarHBondContact O-CG 3.45Å; Q1269-Q1273 PolarHBondContact O-N 3.37Å
1270R93.3Very high90.9Very high61 Ų6143.8 Ų43.823%0.2323%0.229CC..Hα-helixtrans-62.5-45.1177-65.6-68.5-67.9134.72.8111.5Q1190 H1266 T1267 T1272 Q1273 T1274Q1190-R1270 VanDerWaalsContact O-CD 3.29Å; Q1190-R1270 WeakPolarHBondContact O-CD 3.44Å; Q1190-R1270 WeakPolarHBondContact O-CG 3.49Å; Q1190-R1270 PolarHBondContact O-NE 3.22Å; H1266-R1270 WeakPolarHBondContact NE2-CG 3.47Å; H1266-R1270 VanDerWaalsContact O-CG 3.26Å; H1266-R1270 WeakPolarHBondContact O-CG 3.32Å; H1266-R1270 PolarHBondContact O-N 3.11Å; T1267-R1270 PolarHBondContact O-N 2.94Å; R1270-T1272 VanDerWaalsContact C-N 3.26Å; R1270-T1272 PolarHBondContact O-N 2.99Å; R1270-Q1273 VanDerWaalsContact NH1-OE1 3.12Å; R1270-Q1273 WeakPolarHBondContact O-CB 3.38Å; R1270-Q1273 PolarHBondContact O-N 2.9Å; R1270-T1274 PolarHBondContact O-N 2.71Å; R1270-T1274 PolarHBondContact O-OG1 2.96Å; R1270-T1274 VanDerWaalsContact O-OG1 3.12Å
1271L90.5Very high90Very high2 Ų243.3 Ų43.31%0.0122%0.223CC..Hα-helixtrans-59.1-36.9177.3-156.171.7000112.8V1194 L1222 T1267 V1268 C1275 P1276 L1279V1194-L1271 HydrophobicContact CG2-CD1 3.88Å; L1222-L1271 HydrophobicContact CD1-CD1 4.21Å; L1222-L1271 HydrophobicContact CD1-CD2 3.99Å; T1267-L1271 WeakPolarHBondContact O-CB 3.4Å; T1267-L1271 PolarHBondContact O-N 3.29Å; V1268-L1271 PolarHBondContact O-N 3.27Å; L1271-C1275 PolarHBondContact O-N 3.35Å; L1271-P1276 HydrophobicContact CD1-CG 3.98Å; L1271-L1279 HydrophobicContact CD1-CD1 3.69Å; L1271-L1279 HydrophobicContact CD2-CD1 3.76Å; L1271-L1279 HydrophobicContact CG-CD1 3.87Å
1272T89.1Confident88.6Confident42 Ų4248.5 Ų48.526%0.25825%0.247SC..Hα-helixtrans-81.2-17.2177.8-470000112.6V1268 Q1269 R1270 M1287 I1289V1268-T1272 WeakPolarHBondContact O-CB 3.4Å; V1268-T1272 PolarHBondContact O-N 3.29Å; V1268-T1272 PolarHBondContact O-OG1 2.96Å; Q1269-T1272 PolarHBondContact O-N 3.09Å; R1270-T1272 VanDerWaalsContact C-N 3.26Å; R1270-T1272 PolarHBondContact O-N 2.99Å; T1272-M1287 HydrophobicContact CG2-CE 3.92Å; T1272-I1289 HydrophobicContact CG2-CD1 4.3Å
1273Q88.2Confident87.1Confident126 Ų12650.8 Ų50.859%0.58927%0.267SS*.Hα-helixtrans-84.7-40.2172.1-73.8164.67.400112.3Q1269 R1270Q1269-Q1273 WeakPolarHBondContact O-CG 3.45Å; Q1269-Q1273 PolarHBondContact O-N 3.37Å; R1270-Q1273 VanDerWaalsContact NH1-OE1 3.12Å; R1270-Q1273 WeakPolarHBondContact O-CB 3.38Å; R1270-Q1273 PolarHBondContact O-N 2.9Å
1274T85.4Confident85.6Confident52 Ų5254.1 Ų54.132%0.31930%0.302SS..Hα-helixtrans-86.8-30.6-177.256.90000113.2R1270R1270-T1274 PolarHBondContact O-N 2.71Å; R1270-T1274 PolarHBondContact O-OG1 2.96Å; R1270-T1274 VanDerWaalsContact O-OG1 3.12Å
1275C86Confident84.1Confident15 Ų1556.4 Ų56.410%0.10132%0.318CS..  trans4759.3-177.4-700000113.5L1271 L1281L1271-C1275 PolarHBondContact O-N 3.35Å; C1275-L1281 HydrophobicContact CB-CB 4Å
1276P84.9Confident82.8Confident0 Ų062.9 Ų62.90%035%0.346CS..  trans-59.9141.3-174.426.1-35.7000112.4Q1116 L1271 E1278 L1279Q1116-P1276 HydrophobicContact CG-CB 3.78Å; L1271-P1276 HydrophobicContact CD1-CG 3.98Å; P1276-E1278 VanDerWaalsContact C-N 3.25Å; P1276-E1278 PolarHBondContact O-N 3.12Å; P1276-L1279 HydrophobicContact CG-CB 4.48Å; P1276-L1279 HydrophobicContact CG-CD1 3.83Å; P1276-L1279 HydrophobicContact CG-CG 4.07Å; P1276-L1279 PolarHBondContact O-N 3.21Å
1277S81.3Confident82Confident74 Ų7461.9 Ų61.952%0.51734%0.342SS..G310 helixtrans-66.2-29.1-172.475.20000113.1L1279 S1280S1277-L1279 PolarHBondContact O-N 3.33Å; S1277-S1280 WeakPolarHBondContact O-CA 3.29Å; S1277-S1280 PolarHBondContact O-N 3.24Å
1278E84.8Confident81.7Confident64 Ų6466 Ų6630%0.29936%0.364SS..G310 helixtrans-63.5-22.2178.5-64.574.4-168.400112.5S1113 Q1116 Y1196 R1208 P1276S1113-E1278 WeakPolarHBondContact CB-OE1 3.41Å; S1113-E1278 PolarHBondContact OG-OE1 3.19Å; Q1116-E1278 HydrophobicContact CB-CG 4.15Å; Y1196-E1278 HydrophobicContact CD2-CB 4.44Å; Y1196-E1278 HydrophobicContact CE2-CB 3.61Å; Y1196-E1278 HydrophobicContact CE2-CG 3.97Å; R1208-E1278 PolarHBondContact NH1-O 2.8Å; P1276-E1278 VanDerWaalsContact C-N 3.25Å; P1276-E1278 PolarHBondContact O-N 3.12Å
1279L81.5Confident81.6Confident2 Ų269.5 Ų69.51%0.0138%0.382CS..G310 helixtrans-92.9-0.2173-65.2-174.8000113Y1196 F1210 L1241 S1243 L1271 P1276 S1277 L1281Y1196-L1279 HydrophobicContact CE1-CD2 3.62Å; Y1196-L1279 HydrophobicContact CE1-CG 4.42Å; Y1196-L1279 WeakPolarHBondContact OH-CG 3.33Å; F1210-L1279 HydrophobicContact CE2-CD2 4.33Å; F1210-L1279 HydrophobicContact CZ-CD2 3.78Å; L1241-L1279 HydrophobicContact CD2-CB 4.11Å; L1241-L1279 HydrophobicContact CD2-CD1 3.71Å; L1241-L1279 HydrophobicContact CD2-CD2 3.86Å; L1241-L1279 HydrophobicContact CD2-CG 4.11Å; S1243-L1279 WeakPolarHBondContact CB-O 3.49Å; S1243-L1279 PolarHBondContact OG-O 2.84Å; L1271-L1279 HydrophobicContact CD1-CD1 3.69Å; L1271-L1279 HydrophobicContact CD2-CD1 3.76Å; L1271-L1279 HydrophobicContact CG-CD1 3.87Å; P1276-L1279 HydrophobicContact CG-CB 4.48Å; P1276-L1279 HydrophobicContact CG-CD1 3.83Å; P1276-L1279 HydrophobicContact CG-CG 4.07Å; P1276-L1279 PolarHBondContact O-N 3.21Å; S1277-L1279 PolarHBondContact O-N 3.33Å; L1279-L1281 HydrophobicContact CB-CD1 3.88Å; L1279-L1281 HydrophobicContact CB-CG 3.71Å; L1279-L1281 HydrophobicContact CD1-CD1 3.97Å; L1279-L1281 PolarHBondContact O-N 2.81Å
1280S77.5Confident81.6Confident87 Ų8767 Ų6761%0.60837%0.37SS*.THydrogen-bonded Turntrans57.825.6-171-58.90000114S1277S1277-S1280 WeakPolarHBondContact O-CA 3.29Å; S1277-S1280 PolarHBondContact O-N 3.24Å
1281L75.2Confident81.8Confident15 Ų1568.8 Ų68.88%0.07938%0.381CS..  trans-75.9149.3174.8-62.5177.9000110.4L1241 C1275 L1279 M1287L1241-L1281 HydrophobicContact CD1-CD2 4.35Å; C1275-L1281 HydrophobicContact CB-CB 4Å; L1279-L1281 HydrophobicContact CB-CD1 3.88Å; L1279-L1281 HydrophobicContact CB-CG 3.71Å; L1279-L1281 HydrophobicContact CD1-CD1 3.97Å; L1279-L1281 PolarHBondContact O-N 2.81Å; L1281-M1287 HydrophobicContact CD1-CE 3.76Å; L1281-M1287 HydrophobicContact CD1-SD 4.19Å; L1281-M1287 HydrophobicContact CD2-CE 4.09Å; L1281-M1287 HydrophobicContact CD2-SD 3.42Å; L1281-M1287 WeakPolarHBondContact CD2-SD 3.11Å; L1281-M1287 HydrophobicContact CG-SD 4.44Å
1282K68.2Low82Confident158 Ų15869.1 Ų69.169%0.68738%0.383SS*.  trans-111.9133.4178.7-66.4178.1-177.5173.20109.3G1284 S1285K1282-G1284 PolarHBondContact O-N 3.17Å; K1282-G1284 VanDerWaalsContact O-N 3.09Å; K1282-S1285 PolarHBondContact O-N 3.09Å; K1282-S1285 PolarHBondContact O-OG 3.45Å
1283T67.1Low82.4Confident140 Ų14069.9 Ų69.986%0.85938%0.384SS*.THydrogen-bonded Turntrans-55.9118.1174.5-39.70000109.4
1284G65.4Low82.8Confident71 Ų7164.2 Ų64.273%0.73236%0.358SS*.THydrogen-bonded Turntrans87.13.2-176.700000116.8K1282 F1286K1282-G1284 PolarHBondContact O-N 3.17Å; K1282-G1284 VanDerWaalsContact O-N 3.09Å; G1284-F1286 PolarHBondContact O-N 3.17Å
1285S66.6Low83.1Confident48 Ų4863.6 Ų63.634%0.33636%0.362SS..  trans-73.8115.5167.761.40000110.6K1282 M1287K1282-S1285 PolarHBondContact O-N 3.09Å; K1282-S1285 PolarHBondContact O-OG 3.45Å; S1285-M1287 PolarHBondContact O-N 2.97Å; S1285-M1287 VanDerWaalsContact O-N 3.11Å
1286F70.4Confident83.5Confident207 Ų20770.7 Ų70.791%0.90839%0.39SS*.  trans-60.1112.5172.7-71.9-81.5000110.6G1284G1284-F1286 PolarHBondContact O-N 3.17Å
1287M80.9Confident83.9Confident21 Ų2171.5 Ų71.510%0.10339%0.394CS..  trans-89.3132.7172.3-72.8-160.3-74.900111.7L1241 G1246 I1248 T1272 L1281 S1285 I1289L1241-M1287 HydrophobicContact CD1-SD 4.15Å; G1246-M1287 CarbonylContact O-C 3.56Å; G1246-M1287 VanDerWaalsContact O-CA 3.25Å; G1246-M1287 WeakPolarHBondContact O-CA 3.25Å; I1248-M1287 HydrophobicContact CD1-CE 3.56Å; I1248-M1287 HydrophobicContact CD1-SD 3.65Å; I1248-M1287 HydrophobicContact CG1-SD 4.02Å; T1272-M1287 HydrophobicContact CG2-CE 3.92Å; L1281-M1287 HydrophobicContact CD1-CE 3.76Å; L1281-M1287 HydrophobicContact CD1-SD 4.19Å; L1281-M1287 HydrophobicContact CD2-CE 4.09Å; L1281-M1287 HydrophobicContact CD2-SD 3.42Å; L1281-M1287 WeakPolarHBondContact CD2-SD 3.11Å; L1281-M1287 HydrophobicContact CG-SD 4.44Å; S1285-M1287 PolarHBondContact O-N 2.97Å; S1285-M1287 VanDerWaalsContact O-N 3.11Å; M1287-I1289 PolarHBondContact O-N 3.14Å
1288N88.9Confident84.4Confident87 Ų8769.7 Ų69.747%0.46538%0.381SS..EExtended strand (participates in β ladder)trans-78.693.7173.1-177.815000109.5G1246 I1248 Q1290G1246-N1288 PolarHBondContact O-N 3.47Å; I1248-N1288 PolarHBondContact N-O 3.22Å; N1288-Q1290 PolarHBondContact ND2-NE2 3.41Å; N1288-Q1290 VanDerWaalsContact ND2-NE2 3.12Å
1289I93.4Very high84.6Confident77 Ų7770.8 Ų70.840%0.39540%0.395SS..EExtended strand (participates in β ladder)trans-86.5112177.3-57.1164.8000109.2I1248 V1268 T1272 M1287I1248-I1289 HydrophobicContact CB-CG1 4.36Å; I1248-I1289 HydrophobicContact CG2-CG2 4.48Å; I1248-I1289 CarbonylContact O-C 3.56Å; I1248-I1289 WeakPolarHBondContact O-CA 3.23Å; V1268-I1289 HydrophobicContact CG1-CD1 3.97Å; V1268-I1289 HydrophobicContact CG1-CG1 4.22Å; V1268-I1289 HydrophobicContact CG1-CG2 3.95Å; T1272-I1289 HydrophobicContact CG2-CD1 4.3Å; M1287-I1289 PolarHBondContact O-N 3.14Å
1290Q95Very high85Confident57 Ų5775.5 Ų75.527%0.26642%0.417SS..EExtended strand (participates in β ladder)trans-108.9116.8176.7-62-172.646.800110.1I1248 Y1249 L1250 N1288I1248-Q1290 PolarHBondContact O-N 2.9Å; Y1249-Q1290 CarbonylContact C-O 3.35Å; Y1249-Q1290 WeakPolarHBondContact CA-O 3.45Å; Y1249-Q1290 HydrophobicContact CD1-CB 3.77Å; Y1249-Q1290 HydrophobicContact CD1-CG 4.43Å; Y1249-Q1290 HydrophobicContact CE1-CB 4.18Å; Y1249-Q1290 HydrophobicContact CE1-CG 4.37Å; L1250-Q1290 PolarHBondContact N-O 3.2Å; N1288-Q1290 PolarHBondContact ND2-NE2 3.41Å; N1288-Q1290 VanDerWaalsContact ND2-NE2 3.12Å
1291E96.7Very high85.7Confident100 Ų10071.3 Ų71.347%0.46739%0.388SS..EExtended strand (participates in β ladder)trans-81.3120.4172.3-173.2176.316000110H1252 K1265H1252-E1291 IonicContact CD2-OE1 2.7Å; H1252-E1291 PolarHBondContact CD2-OE1 2.95Å; H1252-E1291 IonicContact NE2-OE1 3.62Å; H1252-E1291 PolarHBondContact NE2-OE1 3.13Å; K1265-E1291 VanDerWaalsContact CE-OE1 3.31Å; K1265-E1291 WeakPolarHBondContact CE-OE1 3.44Å; K1265-E1291 VanDerWaalsContact CE-OE2 3.31Å; K1265-E1291 WeakPolarHBondContact CE-OE2 3.31Å; K1265-E1291 IonicContact NZ-OE1 2.75Å; K1265-E1291 PolarHBondContact NZ-OE1 2.93Å; K1265-E1291 IonicContact NZ-OE2 3.79Å; K1265-E1291 PolarHBondContact NZ-OE2 3.04Å
1292V96.5Very high86.4Confident8 Ų871.7 Ų71.75%0.04839%0.389CS..EExtended strand (participates in β ladder)trans-120.4125.5-171.8178.50000109.6Y1249 L1250 W1251 H1252 E1297Y1249-V1292 HydrophobicContact CD1-CG2 3.83Å; Y1249-V1292 HydrophobicContact CG-CG2 4.48Å; L1250-V1292 PolarHBondContact O-N 2.92Å; W1251-V1292 CarbonylContact C-O 3.57Å; W1251-V1292 WeakPolarHBondContact CA-O 3.27Å; H1252-V1292 PolarHBondContact N-O 3.19Å; V1292-E1297 HydrophobicContact CG1-CB 3.97Å; V1292-E1297 HydrophobicContact CG1-CG 3.73Å
1293E97.1Very high87.3Confident58 Ų5870.5 Ų70.527%0.27139%0.39SS..EExtended strand (participates in β ladder)trans-84.4142.5167.6-64.9-73.5173.400110.2R1261 G1295 K1296R1261-E1293 IonicContact CZ-OE1 3.91Å; R1261-E1293 IonicContact CZ-OE2 3.72Å; R1261-E1293 IonicContact NH1-OE1 2.8Å; R1261-E1293 PolarHBondContact NH1-OE1 2.85Å; R1261-E1293 IonicContact NH1-OE2 2.7Å; R1261-E1293 PolarHBondContact NH1-OE2 3.37Å; R1261-E1293 IonicContact NH2-OE1 2.62Å; R1261-E1293 IonicContact NH2-OE2 2.67Å; R1261-E1293 PolarHBondContact NH2-OE2 2.95Å; E1293-G1295 PolarHBondContact O-N 3.03Å; E1293-K1296 HydrophobicContact CB-CB 4.49Å; E1293-K1296 HydrophobicContact CB-CD 4.11Å; E1293-K1296 HydrophobicContact CB-CG 4.36Å; E1293-K1296 PolarHBondContact O-N 3.43Å
1294E96.2Very high88.3Confident8 Ų864.4 Ų64.44%0.03735%0.354CS..THydrogen-bonded Turntrans-50.5134.5166.8-177.3175.2-162.200111.4S1234 W1251 H1252 C1254 K1296 E1297 Y1313 L1317S1234-E1294 VanDerWaalsContact CA-OE2 3.32Å; S1234-E1294 WeakPolarHBondContact CA-OE2 3.44Å; S1234-E1294 WeakPolarHBondContact CB-OE2 3.26Å; S1234-E1294 VanDerWaalsContact OG-CD 3.23Å; S1234-E1294 PolarHBondContact OG-OE1 3.44Å; S1234-E1294 PolarHBondContact OG-OE2 3.14Å; W1251-E1294 HydrophobicContact CH2-CB 4.27Å; W1251-E1294 HydrophobicContact CH2-CG 4.28Å; W1251-E1294 HydrophobicContact CZ2-CB 3.59Å; W1251-E1294 HydrophobicContact CZ2-CG 3.57Å; H1252-E1294 PolarHBondContact O-N 3.1Å; C1254-E1294 HydrophobicContact CB-CB 4.18Å; C1254-E1294 WeakPolarHBondContact CB-OE2 3.43Å; C1254-E1294 PolarHBondContact N-OE2 3.07Å; C1254-E1294 PolarHBondContact SG-OE2 2.88Å; E1294-K1296 VanDerWaalsContact C-N 3.31Å; E1294-E1297 WeakPolarHBondContact CA-OE1 3.21Å; E1294-Y1313 VanDerWaalsContact OE1-CE2 3.25Å; E1294-Y1313 WeakPolarHBondContact OE1-CE2 3.33Å; E1294-Y1313 PolarHBondContact OE1-OH 3.43Å; E1294-L1317 HydrophobicContact CB-CD2 4.48Å; E1294-L1317 HydrophobicContact CG-CD1 4.03Å; E1294-L1317 HydrophobicContact CG-CD2 3.96Å; E1294-L1317 HydrophobicContact CG-CG 3.83Å
1295G91.5Very high89.2Confident39 Ų3961.4 Ų61.440%0.40232%0.321SS..THydrogen-bonded Turntrans82.5-1.5-174.400000115.2E1293 E1297E1293-G1295 PolarHBondContact O-N 3.03Å; G1295-E1297 VanDerWaalsContact C-OE2 3.3Å; G1295-E1297 VanDerWaalsContact CA-OE2 3.26Å; G1295-E1297 WeakPolarHBondContact CA-OE2 3.33Å; G1295-E1297 PolarHBondContact N-OE1 3.1Å; G1295-E1297 PolarHBondContact N-OE2 2.8Å
1296K93.6Very high89.9Confident163 Ų16361.1 Ų61.171%0.70933%0.325SS*.  trans-124.620176-55.2-175.7-167.3161.50113.1E1293 E1294E1293-K1296 HydrophobicContact CB-CB 4.49Å; E1293-K1296 HydrophobicContact CB-CD 4.11Å; E1293-K1296 HydrophobicContact CB-CG 4.36Å; E1293-K1296 PolarHBondContact O-N 3.43Å; E1294-K1296 VanDerWaalsContact C-N 3.31Å
1297E93.8Very high90.1Very high18 Ų1859.1 Ų59.18%0.08432%0.319CS..  trans-71.2133.7-174.5-4686.4158.100111.4W1251 V1292 E1294 G1295 Y1301 W1302 R1310W1251-E1297 PolarHBondContact NE1-OE1 3.23Å; V1292-E1297 HydrophobicContact CG1-CB 3.97Å; V1292-E1297 HydrophobicContact CG1-CG 3.73Å; E1294-E1297 WeakPolarHBondContact CA-OE1 3.21Å; G1295-E1297 VanDerWaalsContact C-OE2 3.3Å; G1295-E1297 VanDerWaalsContact CA-OE2 3.26Å; G1295-E1297 WeakPolarHBondContact CA-OE2 3.33Å; G1295-E1297 PolarHBondContact N-OE1 3.1Å; G1295-E1297 PolarHBondContact N-OE2 2.8Å; E1297-Y1301 HydrophobicContact CB-CD1 3.61Å; E1297-Y1301 HydrophobicContact CB-CE1 4.17Å; E1297-Y1301 HydrophobicContact CB-CG 4Å; E1297-Y1301 HydrophobicContact CG-CD1 3.87Å; E1297-Y1301 HydrophobicContact CG-CE1 3.89Å; E1297-W1302 HydrophobicContact CB-CZ2 4.06Å; E1297-W1302 HydrophobicContact CG-CZ2 4.01Å; E1297-R1310 IonicContact OE1-CZ 2.7Å; E1297-R1310 IonicContact OE1-NH1 3.86Å; E1297-R1310 PolarHBondContact OE1-NH1 3.02Å; E1297-R1310 IonicContact OE1-NH2 3.83Å; E1297-R1310 PolarHBondContact OE1-NH2 2.7Å; E1297-R1310 IonicContact OE2-CZ 3.61Å; E1297-R1310 IonicContact OE2-NH1 2.83Å; E1297-R1310 IonicContact OE2-NH2 2.6Å; E1297-R1310 PolarHBondContact OE2-NH2 2.76Å
1298P92.7Very high90.2Very high36 Ų3663.3 Ų63.323%0.23434%0.339CS..  trans-69163.6-179.828.9-34.3000111.9Y1249 E1300 Y1301 W1302Y1249-P1298 HydrophobicContact CD1-CG 4.28Å; Y1249-P1298 HydrophobicContact CE1-CG 3.69Å; P1298-E1300 PolarHBondContact O-N 3.31Å; P1298-Y1301 WeakPolarHBondContact O-CB 3.49Å; P1298-Y1301 PolarHBondContact O-N 3.17Å; P1298-Y1301 VanDerWaalsContact O-N 3.11Å; P1298-W1302 VanDerWaalsContact O-CD1 3.29Å; P1298-W1302 PolarHBondContact O-N 2.87Å
1299S89.1Confident90Very high86 Ų8660.9 Ų60.960%0.60133%0.326SS*.Hα-helixtrans-58.6-33.517745.50000113.1Y1301 W1302 N1303S1299-Y1301 VanDerWaalsContact C-N 3.32Å; S1299-Y1301 PolarHBondContact O-N 2.9Å; S1299-W1302 PolarHBondContact O-N 2.98Å; S1299-N1303 PolarHBondContact O-N 2.8Å; S1299-N1303 PolarHBondContact O-OD1 3.37Å
1300E89.7Confident89.6Confident101 Ų10160.1 Ų60.147%0.47232%0.318SS..Hα-helixtrans-61-38.8176.4-64.5160.9176.100112.4Y1249 P1298 W1302 N1303 A1304Y1249-E1300 WeakPolarHBondContact OH-CB 3.36Å; Y1249-E1300 PolarHBondContact OH-OE2 3.12Å; P1298-E1300 PolarHBondContact O-N 3.31Å; E1300-W1302 VanDerWaalsContact C-N 3.33Å; E1300-W1302 PolarHBondContact O-N 3.22Å; E1300-N1303 WeakPolarHBondContact O-CB 3.19Å; E1300-N1303 PolarHBondContact O-N 2.84Å; E1300-A1304 PolarHBondContact O-N 3.23Å; E1300-A1304 VanDerWaalsContact O-N 3.1Å
1301Y91.7Very high89Confident0 Ų062.4 Ų62.40%033%0.327CS..Hα-helixtrans-64.6-37.1176.3-176.4-87000111.8L1232 L1240 Y1249 W1251 E1297 P1298 S1299 A1304 I1305L1232-Y1301 WeakPolarHBondContact CD2-OH 3.23Å; L1240-Y1301 HydrophobicContact CB-CE2 4.1Å; L1240-Y1301 HydrophobicContact CD2-CD2 3.44Å; L1240-Y1301 VanDerWaalsContact CD2-CD2 3.44Å; L1240-Y1301 HydrophobicContact CD2-CE2 3.57Å; L1240-Y1301 HydrophobicContact CD2-CG 4.11Å; L1240-Y1301 HydrophobicContact CG-CE2 4.5Å; Y1249-Y1301 HydrophobicContact CD1-CD2 4.44Å; Y1249-Y1301 AromaticContact CD2-CD2 3.99Å; Y1249-Y1301 HydrophobicContact CD2-CD2 3.99Å; Y1249-Y1301 AromaticContact CG-CD2 3.83Å; Y1249-Y1301 HydrophobicContact CG-CD2 3.83Å; W1251-Y1301 HydrophobicContact CB-CE2 4.02Å; W1251-Y1301 WeakPolarHBondContact CB-OH 3.36Å; W1251-Y1301 AromaticContact CD1-CE1 3.94Å; W1251-Y1301 AromaticContact CD1-CE2 3.96Å; W1251-Y1301 AromaticContact CD1-CZ 3.43Å; W1251-Y1301 VanDerWaalsContact CD1-CZ 3.43Å; W1251-Y1301 HydrophobicContact CG-CE2 4.26Å; W1251-Y1301 AromaticContact CG-CZ 3.85Å; W1251-Y1301 VanDerWaalsContact CG-OH 3.23Å; E1297-Y1301 HydrophobicContact CB-CD1 3.61Å; E1297-Y1301 HydrophobicContact CB-CE1 4.17Å; E1297-Y1301 HydrophobicContact CB-CG 4Å; E1297-Y1301 HydrophobicContact CG-CD1 3.87Å; E1297-Y1301 HydrophobicContact CG-CE1 3.89Å; P1298-Y1301 WeakPolarHBondContact O-CB 3.49Å; P1298-Y1301 PolarHBondContact O-N 3.17Å; P1298-Y1301 VanDerWaalsContact O-N 3.11Å; S1299-Y1301 VanDerWaalsContact C-N 3.32Å; S1299-Y1301 PolarHBondContact O-N 2.9Å; Y1301-A1304 PolarHBondContact O-N 2.8Å; Y1301-I1305 HydrophobicContact CD1-CD1 4.31Å; Y1301-I1305 HydrophobicContact CE1-CD1 3.6Å; Y1301-I1305 HydrophobicContact CE2-CD1 4.15Å; Y1301-I1305 VanDerWaalsContact CZ-CD1 3.48Å; Y1301-I1305 PolarHBondContact O-N 2.75Å; Y1301-I1305 VanDerWaalsContact O-N 3.13Å; Y1301-I1305 WeakPolarHBondContact OH-CD1 3.44Å
1302W89.4Confident88.4Confident22 Ų2259 Ų598%0.08331%0.314CS..Hα-helixtrans-73.6-37.5173.6-63.5106.4000112.3L1232 E1297 P1298 S1299 E1300 A1304 I1305 G1306 Q1308L1232-W1302 HydrophobicContact CD1-CH2 4.19Å; L1232-W1302 HydrophobicContact CD1-CZ3 4.42Å; E1297-W1302 HydrophobicContact CB-CZ2 4.06Å; E1297-W1302 HydrophobicContact CG-CZ2 4.01Å; P1298-W1302 VanDerWaalsContact O-CD1 3.29Å; P1298-W1302 PolarHBondContact O-N 2.87Å; S1299-W1302 PolarHBondContact O-N 2.98Å; E1300-W1302 VanDerWaalsContact C-N 3.33Å; E1300-W1302 PolarHBondContact O-N 3.22Å; W1302-A1304 PolarHBondContact O-N 3Å; W1302-I1305 PolarHBondContact O-N 3.3Å; W1302-G1306 CarbonylContact O-C 3.24Å; W1302-G1306 WeakPolarHBondContact O-CA 3.2Å; W1302-G1306 PolarHBondContact O-N 3.28Å; W1302-Q1308 HydrophobicContact CD2-CB 3.9Å; W1302-Q1308 HydrophobicContact CD2-CG 3.75Å; W1302-Q1308 HydrophobicContact CE3-CB 3.68Å; W1302-Q1308 HydrophobicContact CE3-CG 3.72Å; W1302-Q1308 HydrophobicContact CG-CB 4.41Å; W1302-Q1308 HydrophobicContact CG-CG 4.48Å; W1302-Q1308 HydrophobicContact CH2-CG 3.96Å; W1302-Q1308 HydrophobicContact CZ2-CG 3.96Å; W1302-Q1308 HydrophobicContact CZ3-CB 4.13Å; W1302-Q1308 HydrophobicContact CZ3-CG 3.83Å; W1302-Q1308 VanDerWaalsContact NE1-NE2 3.11Å
1303N87.2Confident88.1Confident133 Ų13358.8 Ų58.871%0.71131%0.313SS*.Hα-helixtrans-59.2-28.9173.1-63.8-13.8000112.4S1299 E1300S1299-N1303 PolarHBondContact O-N 2.8Å; S1299-N1303 PolarHBondContact O-OD1 3.37Å; E1300-N1303 WeakPolarHBondContact O-CB 3.19Å; E1300-N1303 PolarHBondContact O-N 2.84Å
1304A88.1Confident87.9Confident13 Ų1357.7 Ų57.711%0.10731%0.309CS..Hα-helixtrans-81.6-40.3177.300000114.5W1207 L1240 E1300 Y1301 W1302W1207-A1304 HydrophobicContact CB-CB 4.4Å; W1207-A1304 HydrophobicContact CD2-CB 3.28Å; W1207-A1304 VanDerWaalsContact CE2-CB 3.43Å; W1207-A1304 HydrophobicContact CE3-CB 3.69Å; W1207-A1304 HydrophobicContact CG-CB 3.6Å; W1207-A1304 HydrophobicContact CH2-CB 4.36Å; W1207-A1304 HydrophobicContact CZ2-CB 3.99Å; W1207-A1304 HydrophobicContact CZ3-CB 4.21Å; L1240-A1304 HydrophobicContact CD1-CB 4.44Å; L1240-A1304 HydrophobicContact CD2-CB 3.82Å; E1300-A1304 PolarHBondContact O-N 3.23Å; E1300-A1304 VanDerWaalsContact O-N 3.1Å; Y1301-A1304 PolarHBondContact O-N 2.8Å; W1302-A1304 PolarHBondContact O-N 3Å
1305I85.6Confident87.7Confident7 Ų759.1 Ų59.14%0.03632%0.319CS..Hα-helixtrans-92.5-9.9-176-69.4-167.9000112.8L1209 S1228 C1229 L1232 L1240 Y1301 W1302L1209-I1305 HydrophobicContact CD1-CD1 4.31Å; L1209-I1305 HydrophobicContact CD2-CD1 4.29Å; S1228-I1305 VanDerWaalsContact C-CG2 3.47Å; C1229-I1305 HydrophobicContact CB-CG2 4.05Å; C1229-I1305 VanDerWaalsContact N-CG2 3.31Å; L1232-I1305 HydrophobicContact CD2-CD1 4.08Å; L1240-I1305 HydrophobicContact CD1-CD1 4.36Å; L1240-I1305 HydrophobicContact CD1-CG1 4.08Å; L1240-I1305 HydrophobicContact CD2-CD1 4.04Å; L1240-I1305 HydrophobicContact CD2-CG1 3.95Å; Y1301-I1305 HydrophobicContact CD1-CD1 4.31Å; Y1301-I1305 HydrophobicContact CE1-CD1 3.6Å; Y1301-I1305 HydrophobicContact CE2-CD1 4.15Å; Y1301-I1305 VanDerWaalsContact CZ-CD1 3.48Å; Y1301-I1305 PolarHBondContact O-N 2.75Å; Y1301-I1305 VanDerWaalsContact O-N 3.13Å; Y1301-I1305 WeakPolarHBondContact OH-CD1 3.44Å; W1302-I1305 PolarHBondContact O-N 3.3Å
1306G81Confident87.7Confident42 Ų4257.8 Ų57.843%0.43330%0.302SS..  trans91.8-143.8177.500000113.1W1302 Q1308W1302-G1306 CarbonylContact O-C 3.24Å; W1302-G1306 WeakPolarHBondContact O-CA 3.2Å; W1302-G1306 PolarHBondContact O-N 3.28Å; G1306-Q1308 PolarHBondContact O-N 2.84Å
1307Q74.7Confident87.5Confident165 Ų16553.2 Ų53.277%0.77129%0.285SS*.SBendtrans-61.3129.3-174.8-177173.2-22.900111.7D1309Q1307-D1309 PolarHBondContact O-N 2.73Å
1308Q82.6Confident87.2Confident110 Ų11061.5 Ų61.551%0.51432%0.324SS..  trans-71.269.6174.1-171.9-178.256.900111.3W1302 G1306W1302-Q1308 HydrophobicContact CD2-CB 3.9Å; W1302-Q1308 HydrophobicContact CD2-CG 3.75Å; W1302-Q1308 HydrophobicContact CE3-CB 3.68Å; W1302-Q1308 HydrophobicContact CE3-CG 3.72Å; W1302-Q1308 HydrophobicContact CG-CB 4.41Å; W1302-Q1308 HydrophobicContact CG-CG 4.48Å; W1302-Q1308 HydrophobicContact CH2-CG 3.96Å; W1302-Q1308 HydrophobicContact CZ2-CG 3.96Å; W1302-Q1308 HydrophobicContact CZ3-CB 4.13Å; W1302-Q1308 HydrophobicContact CZ3-CG 3.83Å; W1302-Q1308 VanDerWaalsContact NE1-NE2 3.11Å; G1306-Q1308 PolarHBondContact O-N 2.84Å
1309D84.1Confident86.9Confident36 Ų3662.8 Ų62.819%0.19333%0.329CS..  trans-101.290.3171.9-175.118000111.7C1229 Q1307 K1311 S1312C1229-D1309 PolarHBondContact SG-O 3.48Å; Q1307-D1309 PolarHBondContact O-N 2.73Å; D1309-K1311 PolarHBondContact O-N 3.43Å; D1309-K1311 VanDerWaalsContact OD1-CB 3.23Å; D1309-K1311 WeakPolarHBondContact OD1-CB 3.47Å; D1309-K1311 PolarHBondContact OD1-N 3.33Å; D1309-S1312 WeakPolarHBondContact O-CB 3.43Å; D1309-S1312 PolarHBondContact O-N 3.35Å; D1309-S1312 PolarHBondContact O-OG 2.96Å
1310R85.4Confident86.8Confident61 Ų6164.9 Ų64.923%0.2334%0.341CS..THydrogen-bonded Turntrans-69.28.8172.6-60-164.2-166.3-96.43.8114.5E1297 Y1313 C1315E1297-R1310 IonicContact OE1-CZ 2.7Å; E1297-R1310 IonicContact OE1-NH1 3.86Å; E1297-R1310 PolarHBondContact OE1-NH1 3.02Å; E1297-R1310 IonicContact OE1-NH2 3.83Å; E1297-R1310 PolarHBondContact OE1-NH2 2.7Å; E1297-R1310 IonicContact OE2-CZ 3.61Å; E1297-R1310 IonicContact OE2-NH1 2.83Å; E1297-R1310 IonicContact OE2-NH2 2.6Å; E1297-R1310 PolarHBondContact OE2-NH2 2.76Å; R1310-Y1313 HydrophobicContact CB-CE1 4.22Å; R1310-Y1313 HydrophobicContact CG-CE1 4.2Å; R1310-Y1313 PolarHBondContact NH1-OH 2.92Å; R1310-C1315 HydrophobicContact CB-CB 4.11Å; R1310-C1315 VanDerWaalsContact O-CB 3.25Å; R1310-C1315 WeakPolarHBondContact O-CB 3.44Å
1311K81.6Confident86.6Confident104 Ų10461.2 Ų61.245%0.45233%0.33SS..THydrogen-bonded Turntrans-98.4-7.2165.9-53.3-180177.8-175.60113.4C577 D1309 Y1313 L1433C577-K1311 HydrophobicContact CB-CD 4.39Å; D1309-K1311 PolarHBondContact O-N 3.43Å; D1309-K1311 VanDerWaalsContact OD1-CB 3.23Å; D1309-K1311 WeakPolarHBondContact OD1-CB 3.47Å; D1309-K1311 PolarHBondContact OD1-N 3.33Å; K1311-Y1313 PolarHBondContact O-N 3.36Å; K1311-L1433 WeakPolarHBondContact O-CD1 3.38Å
1312S84.5Confident86.3Confident30 Ų3069.1 Ų69.121%0.2136%0.364CS..THydrogen-bonded Turntrans-76.2-10.3175.662.20000113.4C1229 S1230 D1309C1229-S1312 VanDerWaalsContact C-OG 3.28Å; C1229-S1312 WeakPolarHBondContact CB-OG 3.32Å; C1229-S1312 PolarHBondContact SG-OG 3.17Å; C1229-S1312 VanDerWaalsContact SG-OG 3.37Å; S1230-S1312 WeakPolarHBondContact CA-O 3.41Å; S1230-S1312 PolarHBondContact N-OG 3.02Å; D1309-S1312 WeakPolarHBondContact O-CB 3.43Å; D1309-S1312 PolarHBondContact O-N 3.35Å; D1309-S1312 PolarHBondContact O-OG 2.96Å
1313Y91.2Very high86.4Confident3 Ų368.7 Ų68.71%0.01236%0.363CS..THydrogen-bonded Turntrans-143.5161.1177.778.9-88.1000110.3C1229 L1232 E1294 R1310 K1311 C1315C1229-Y1313 VanDerWaalsContact O-CD1 3.31Å; C1229-Y1313 WeakPolarHBondContact O-CD1 3.4Å; L1232-Y1313 HydrophobicContact CB-CD1 3.89Å; L1232-Y1313 HydrophobicContact CB-CD2 3.99Å; L1232-Y1313 HydrophobicContact CB-CE1 4.01Å; L1232-Y1313 HydrophobicContact CB-CE2 4.1Å; L1232-Y1313 HydrophobicContact CB-CG 3.89Å; L1232-Y1313 HydrophobicContact CD1-CD1 4.31Å; L1232-Y1313 HydrophobicContact CD1-CE1 3.86Å; L1232-Y1313 WeakPolarHBondContact O-CB 3.25Å; E1294-Y1313 VanDerWaalsContact OE1-CE2 3.25Å; E1294-Y1313 WeakPolarHBondContact OE1-CE2 3.33Å; E1294-Y1313 PolarHBondContact OE1-OH 3.43Å; R1310-Y1313 HydrophobicContact CB-CE1 4.22Å; R1310-Y1313 HydrophobicContact CG-CE1 4.2Å; R1310-Y1313 PolarHBondContact NH1-OH 2.92Å; K1311-Y1313 PolarHBondContact O-N 3.36Å; Y1313-C1315 VanDerWaalsContact C-N 3.33Å; Y1313-C1315 HydrophobicContact CD2-CB 4.2Å; Y1313-C1315 HydrophobicContact CE1-CB 4.26Å; Y1313-C1315 HydrophobicContact CE2-CB 3.66Å; Y1313-C1315 PolarHBondContact O-N 3.29Å
1314D91.6Very high86.5Confident35 Ų3567.5 Ų67.519%0.18736%0.356CS..THydrogen-bonded Turntrans-70.383.6176.2-173.320.4000111.6S1234 M1316 L1433 N1437S1234-D1314 PolarHBondContact OG-O 3.42Å; S1234-D1314 VanDerWaalsContact OG-O 3.1Å; D1314-M1316 PolarHBondContact O-N 3.3Å; D1314-M1316 WeakPolarHBondContact OD2-CE 3.37Å; D1314-L1433 HydrophobicContact CB-CB 4.17Å; D1314-N1437 HydrophobicContact CB-CB 4Å; D1314-N1437 PolarHBondContact N-ND2 2.86Å
1315C92.3Very high86.7Confident38 Ų3867.7 Ų67.726%0.25736%0.355SS..  trans-82.395.2-173.5170.20000112.6R1310 Y1313 L1317R1310-C1315 HydrophobicContact CB-CB 4.11Å; R1310-C1315 VanDerWaalsContact O-CB 3.25Å; R1310-C1315 WeakPolarHBondContact O-CB 3.44Å; Y1313-C1315 VanDerWaalsContact C-N 3.33Å; Y1313-C1315 HydrophobicContact CD2-CB 4.2Å; Y1313-C1315 HydrophobicContact CE1-CB 4.26Å; Y1313-C1315 HydrophobicContact CE2-CB 3.66Å; Y1313-C1315 PolarHBondContact O-N 3.29Å; C1315-L1317 VanDerWaalsContact C-N 3.25Å; C1315-L1317 PolarHBondContact O-N 3.24Å; C1315-L1317 VanDerWaalsContact O-N 3.13Å
1316M92.8Very high87.1Confident11 Ų1169 Ų695%0.05436%0.364CS..G310 helixtrans-80.712.3-172.4-58.5-178.9174.200115.6S1234 R1235 C1254 K1255 D1314 Q1318 D1319 F1323S1234-M1316 PolarHBondContact OG-N 3.11Å; R1235-M1316 HydrophobicContact CG-CE 3.91Å; R1235-M1316 HydrophobicContact CG-SD 3.65Å; C1254-M1316 VanDerWaalsContact SG-C 3.53Å; K1255-M1316 HydrophobicContact CB-SD 4.37Å; K1255-M1316 HydrophobicContact CD-CB 4.39Å; K1255-M1316 WeakPolarHBondContact CE-O 3.28Å; K1255-M1316 HydrophobicContact CG-CB 3.74Å; K1255-M1316 HydrophobicContact CG-CG 4.34Å; K1255-M1316 HydrophobicContact CG-SD 3.67Å; D1314-M1316 PolarHBondContact O-N 3.3Å; D1314-M1316 WeakPolarHBondContact OD2-CE 3.37Å; M1316-Q1318 VanDerWaalsContact C-N 3.26Å; M1316-Q1318 PolarHBondContact O-N 3.1Å; M1316-D1319 HydrophobicContact CB-CB 4.24Å; M1316-D1319 WeakPolarHBondContact O-CB 3.49Å; M1316-D1319 PolarHBondContact O-N 3.41Å; M1316-F1323 HydrophobicContact CE-CD1 3.99Å; M1316-F1323 HydrophobicContact CE-CE1 3.56Å; M1316-F1323 HydrophobicContact CE-CZ 3.97Å; M1316-F1323 HydrophobicContact CG-CZ 4.49Å; M1316-F1323 HydrophobicContact SD-CD1 3.89Å; M1316-F1323 HydrophobicContact SD-CD2 4.02Å; M1316-F1323 HydrophobicContact SD-CE1 3.7Å; M1316-F1323 HydrophobicContact SD-CE2 3.84Å; M1316-F1323 HydrophobicContact SD-CG 4.05Å; M1316-F1323 HydrophobicContact SD-CZ 3.68Å
1317L89Confident87.7Confident67 Ų6767.1 Ų67.135%0.35134%0.344SS..G310 helixtrans-56.6-32.2-176.4-85.7173.7000115.1C1254 E1294 C1315C1254-L1317 HydrophobicContact CB-CD2 3.98Å; E1294-L1317 HydrophobicContact CB-CD2 4.48Å; E1294-L1317 HydrophobicContact CG-CD1 4.03Å; E1294-L1317 HydrophobicContact CG-CD2 3.96Å; E1294-L1317 HydrophobicContact CG-CG 3.83Å; C1315-L1317 VanDerWaalsContact C-N 3.25Å; C1315-L1317 PolarHBondContact O-N 3.24Å; C1315-L1317 VanDerWaalsContact O-N 3.13Å
1318Q87Confident88.6Confident191 Ų19161.2 Ų61.289%0.89331%0.314SS*.G310 helixtrans-102-2.2-179.8-60.4-175.713.900112.7M1316M1316-Q1318 VanDerWaalsContact C-N 3.26Å; M1316-Q1318 PolarHBondContact O-N 3.1Å
1319D87.1Confident89.1Confident64 Ų6456 Ų5634%0.34229%0.29SS..  trans-78.7125.9-178.4-171.5-70000110.3K1255 M1316 G1321 F1323K1255-D1319 PolarHBondContact NZ-O 3.37Å; M1316-D1319 HydrophobicContact CB-CB 4.24Å; M1316-D1319 WeakPolarHBondContact O-CB 3.49Å; M1316-D1319 PolarHBondContact O-N 3.41Å; D1319-G1321 VanDerWaalsContact C-N 3.28Å; D1319-G1321 PolarHBondContact O-N 3.07Å; D1319-G1321 WeakPolarHBondContact OD1-CA 3.47Å; D1319-G1321 PolarHBondContact OD1-N 3.33Å; D1319-F1323 HydrophobicContact CB-CE2 4.48Å; D1319-F1323 VanDerWaalsContact OD1-CE2 3.31Å; D1319-F1323 WeakPolarHBondContact OD1-CE2 3.39Å
1320P87.3Confident89.6Confident130 Ų13054.3 Ų54.384%0.84428%0.281SS*.  trans-82.1-2.7179.933.6-36.1000114
1321G84.2Confident90Very high24 Ų2452.5 Ų52.525%0.24728%0.275CS..  trans-72.7159.3-175.500000114.8K1255 D1319K1255-G1321 PolarHBondContact NZ-O 3Å; D1319-G1321 VanDerWaalsContact C-N 3.28Å; D1319-G1321 PolarHBondContact O-N 3.07Å; D1319-G1321 WeakPolarHBondContact OD1-CA 3.47Å; D1319-G1321 PolarHBondContact OD1-N 3.33Å
1322K86.1Confident90.6Very high165 Ų16547.6 Ų47.672%0.71725%0.254SS*.  trans-110111.7179.1-63.1-170.1177.3-167.80109.6N1324K1322-N1324 VanDerWaalsContact C-N 3.26Å; K1322-N1324 PolarHBondContact O-N 3.42Å
1323F90.6Very high90.8Very high14 Ų1446.8 Ų46.86%0.06125%0.248CC..  trans-94.636.2-172-68.7-97.6000113.1R1235 K1255 M1316 D1319 F1325 L1379R1235-F1323 PolarHBondContact NH2-O 3.09Å; K1255-F1323 HydrophobicContact CB-CB 4.22Å; K1255-F1323 HydrophobicContact CB-CD2 4.34Å; K1255-F1323 HydrophobicContact CB-CG 4.49Å; K1255-F1323 HydrophobicContact CD-CD2 3.76Å; K1255-F1323 HydrophobicContact CD-CE2 4.26Å; K1255-F1323 HydrophobicContact CG-CD2 3.78Å; K1255-F1323 HydrophobicContact CG-CE2 4.33Å; K1255-F1323 HydrophobicContact CG-CG 4.34Å; M1316-F1323 HydrophobicContact CE-CD1 3.99Å; M1316-F1323 HydrophobicContact CE-CE1 3.56Å; M1316-F1323 HydrophobicContact CE-CZ 3.97Å; M1316-F1323 HydrophobicContact CG-CZ 4.49Å; M1316-F1323 HydrophobicContact SD-CD1 3.89Å; M1316-F1323 HydrophobicContact SD-CD2 4.02Å; M1316-F1323 HydrophobicContact SD-CE1 3.7Å; M1316-F1323 HydrophobicContact SD-CE2 3.84Å; M1316-F1323 HydrophobicContact SD-CG 4.05Å; M1316-F1323 HydrophobicContact SD-CZ 3.68Å; D1319-F1323 HydrophobicContact CB-CE2 4.48Å; D1319-F1323 VanDerWaalsContact OD1-CE2 3.31Å; D1319-F1323 WeakPolarHBondContact OD1-CE2 3.39Å; F1323-F1325 HydrophobicContact CB-CE1 4.16Å; F1323-F1325 AromaticContact CD1-CE1 3.88Å; F1323-F1325 HydrophobicContact CD1-CE1 3.88Å; F1323-F1325 AromaticContact CD1-CZ 3.85Å; F1323-F1325 HydrophobicContact CD1-CZ 3.85Å; F1323-F1325 HydrophobicContact CG-CE1 4.3Å; F1323-F1325 PolarHBondContact O-N 3.32Å; F1323-L1379 HydrophobicContact CE1-CD1 3.73Å; F1323-L1379 HydrophobicContact CZ-CD1 3.78Å
1324N90.7Very high90.7Very high107 Ų10747.4 Ų47.457%0.57225%0.254SS*.  trans-85.656.7-172.6-62.530.2000111.2K1322 I1354K1322-N1324 VanDerWaalsContact C-N 3.26Å; K1322-N1324 PolarHBondContact O-N 3.42Å; N1324-I1354 HydrophobicContact CB-CD1 3.9Å
1325F91.8Very high90.1Very high17 Ų1749.8 Ų49.88%0.07526%0.264CS..SBendtrans-150.4147.3-177.360.4-96.9000110.7R1235 F1323 N1377 Y1378R1235-F1325 VanDerWaalsContact NH1-CE2 3.33Å; R1235-F1325 PolarHBondContact NH2-O 2.81Å; F1323-F1325 HydrophobicContact CB-CE1 4.16Å; F1323-F1325 AromaticContact CD1-CE1 3.88Å; F1323-F1325 HydrophobicContact CD1-CE1 3.88Å; F1323-F1325 AromaticContact CD1-CZ 3.85Å; F1323-F1325 HydrophobicContact CD1-CZ 3.85Å; F1323-F1325 HydrophobicContact CG-CE1 4.3Å; F1323-F1325 PolarHBondContact O-N 3.32Å; F1325-N1377 VanDerWaalsContact CE2-O 3.28Å; F1325-N1377 WeakPolarHBondContact CE2-O 3.47Å; F1325-N1377 WeakPolarHBondContact CE2-OD1 3.3Å; F1325-N1377 WeakPolarHBondContact CZ-O 3.5Å; F1325-Y1378 HydrophobicContact CB-CD2 3.91Å; F1325-Y1378 HydrophobicContact CB-CG 4.15Å; F1325-Y1378 AromaticContact CD1-CD1 3.81Å; F1325-Y1378 HydrophobicContact CD1-CD1 3.81Å; F1325-Y1378 HydrophobicContact CD1-CD2 4.22Å; F1325-Y1378 AromaticContact CD1-CG 3.61Å; F1325-Y1378 HydrophobicContact CD1-CG 3.61Å; F1325-Y1378 HydrophobicContact CD2-CG 4.16Å; F1325-Y1378 HydrophobicContact CE1-CD1 4Å; F1325-Y1378 AromaticContact CE1-CG 4Å; F1325-Y1378 HydrophobicContact CE1-CG 4Å; F1325-Y1378 VanDerWaalsContact CE2-CB 3.44Å; F1325-Y1378 VanDerWaalsContact CG-CB 3.45Å; F1325-Y1378 HydrophobicContact CG-CD1 4.38Å; F1325-Y1378 HydrophobicContact CG-CD2 4Å; F1325-Y1378 AromaticContact CG-CG 3.71Å; F1325-Y1378 HydrophobicContact CG-CG 3.71Å; F1325-Y1378 HydrophobicContact CZ-CG 4.45Å
1326T93Very high89.4Confident36 Ų3649.2 Ų49.222%0.22126%0.26CS..  trans-86.7127.9168.8-56.10000108.8V1353 T1355 P1358T1326-V1353 PolarHBondContact OG1-O 3Å; T1326-T1355 PolarHBondContact OG1-N 2.83Å; T1326-P1358 HydrophobicContact CG2-CB 4.48Å; T1326-P1358 HydrophobicContact CG2-CG 4.16Å
1327P94.2Very high88.5Confident2 Ų250.3 Ų50.31%0.01328%0.275CS..  trans-59.9147.4171-21.533.5000111.6T1355 L1375 D1376 I1438P1327-T1355 WeakPolarHBondContact CD-O 3.43Å; P1327-L1375 HydrophobicContact CB-CD1 4.24Å; P1327-D1376 WeakPolarHBondContact CA-O 2.91Å; P1327-I1438 HydrophobicContact CG-CB 4.35Å; P1327-I1438 HydrophobicContact CG-CG2 4.27Å
1328R93.2Very high88.2Confident40 Ų4049.7 Ų49.715%0.15128%0.276CS..EExtended strand (participates in β ladder)trans-119130.5176.8-60173.173.7-163.62.6110L1055 F1056 F1330 E1343 L1375 D1376 Y1411L1055-R1328 PolarHBondContact O-NH1 3.48Å; L1055-R1328 PolarHBondContact O-NH2 2.91Å; F1056-R1328 PolarHBondContact O-NH1 3.17Å; R1328-F1330 HydrophobicContact CB-CE2 3.74Å; R1328-F1330 HydrophobicContact CB-CZ 3.94Å; R1328-E1343 IonicContact CZ-OE1 3.55Å; R1328-E1343 IonicContact CZ-OE2 3.67Å; R1328-E1343 IonicContact NE-OE1 3.86Å; R1328-E1343 PolarHBondContact NE-OE1 3.35Å; R1328-E1343 IonicContact NE-OE2 3.92Å; R1328-E1343 VanDerWaalsContact NH2-CD 3.31Å; R1328-E1343 IonicContact NH2-OE1 2.72Å; R1328-E1343 PolarHBondContact NH2-OE1 3.26Å; R1328-E1343 IonicContact NH2-OE2 2.67Å; R1328-E1343 PolarHBondContact NH2-OE2 3.15Å; R1328-L1375 CarbonylContact O-C 3.58Å; R1328-L1375 WeakPolarHBondContact O-CA 3.49Å; R1328-D1376 HydrophobicContact CB-CB 4.39Å; R1328-D1376 PolarHBondContact N-O 3.47Å; R1328-D1376 PolarHBondContact O-N 2.83Å; R1328-Y1411 PolarHBondContact NH1-OH 2.84Å
1329L94.1Very high88.3Confident1 Ų140.7 Ų40.71%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-115.7133.8179.3-179.364.6000108.7L1344 F1359 L1364 F1373 L1374 L1375L1329-L1344 HydrophobicContact CD2-CD1 3.91Å; L1329-L1344 HydrophobicContact CG-CD1 4.24Å; L1329-L1344 PolarHBondContact O-N 3.31Å; L1329-F1359 HydrophobicContact CB-CD2 3.73Å; L1329-F1359 HydrophobicContact CB-CE1 4.27Å; L1329-F1359 HydrophobicContact CB-CE2 3.31Å; L1329-F1359 HydrophobicContact CB-CG 4.38Å; L1329-F1359 HydrophobicContact CB-CZ 3.63Å; L1329-F1359 HydrophobicContact CD2-CB 4.43Å; L1329-F1359 HydrophobicContact CD2-CD1 4.5Å; L1329-F1359 HydrophobicContact CD2-CD2 3.97Å; L1329-F1359 HydrophobicContact CD2-CE2 4.41Å; L1329-F1359 HydrophobicContact CD2-CG 4.03Å; L1329-F1359 HydrophobicContact CG-CE2 4.49Å; L1329-L1364 HydrophobicContact CD1-CD2 4.42Å; L1329-L1364 HydrophobicContact CD2-CD2 4.33Å; L1329-F1373 HydrophobicContact CD1-CB 3.98Å; L1329-F1373 HydrophobicContact CD1-CD1 3.76Å; L1329-F1373 HydrophobicContact CD1-CG 4.21Å; L1329-F1373 HydrophobicContact CD2-CD1 4.38Å; L1329-F1373 HydrophobicContact CG-CD1 3.96Å; L1329-F1373 HydrophobicContact CG-CE1 4.47Å; L1329-L1374 CarbonylContact C-O 3.55Å; L1329-L1374 WeakPolarHBondContact CA-O 3.27Å; L1329-L1375 HydrophobicContact CB-CD1 4.41Å; L1329-L1375 HydrophobicContact CD1-CB 4.09Å; L1329-L1375 HydrophobicContact CD1-CD1 4.39Å
1330F94Very high88.4Confident0 Ų041.6 Ų41.60%024%0.236CC..EExtended strand (participates in β ladder)trans-129.1129179.4-49.2-99.8000110L1055 R1328 L1332 L1342 E1343 F1373 L1374 Y1411L1055-F1330 HydrophobicContact CD1-CB 4.44Å; L1055-F1330 HydrophobicContact CD1-CD1 3.4Å; L1055-F1330 HydrophobicContact CD1-CE1 3.78Å; L1055-F1330 HydrophobicContact CD1-CG 4.08Å; L1055-F1330 HydrophobicContact CD2-CD1 4.41Å; L1055-F1330 HydrophobicContact CG-CD1 3.74Å; L1055-F1330 HydrophobicContact CG-CE1 3.67Å; L1055-F1330 HydrophobicContact CG-CG 4.34Å; L1055-F1330 HydrophobicContact CG-CZ 4.19Å; R1328-F1330 HydrophobicContact CB-CE2 3.74Å; R1328-F1330 HydrophobicContact CB-CZ 3.94Å; F1330-L1332 HydrophobicContact CB-CD2 4.38Å; F1330-L1342 CarbonylContact C-O 3.56Å; F1330-L1342 WeakPolarHBondContact CA-O 3.37Å; F1330-E1343 HydrophobicContact CD1-CB 3.57Å; F1330-E1343 HydrophobicContact CD1-CG 3.96Å; F1330-E1343 HydrophobicContact CE1-CB 3.65Å; F1330-E1343 HydrophobicContact CE1-CG 3.75Å; F1330-E1343 HydrophobicContact CZ-CG 4.43Å; F1330-F1373 CarbonylContact O-C 3.44Å; F1330-F1373 WeakPolarHBondContact O-CA 3.41Å; F1330-F1373 WeakPolarHBondContact O-CD1 3.41Å; F1330-L1374 HydrophobicContact CB-CB 4.39Å; F1330-L1374 HydrophobicContact CD2-CB 4.36Å; F1330-L1374 HydrophobicContact CD2-CD2 3.65Å; F1330-L1374 WeakPolarHBondContact CD2-O 3.19Å; F1330-L1374 HydrophobicContact CE2-CD2 3.93Å; F1330-L1374 PolarHBondContact N-O 3.45Å; F1330-L1374 PolarHBondContact O-N 2.95Å; F1330-Y1411 HydrophobicContact CE2-CE2 4.29Å; F1330-Y1411 HydrophobicContact CZ-CE2 4.15Å
1331H93.5Very high88.5Confident23 Ų2336.4 Ų36.411%0.10621%0.206CC..EExtended strand (participates in β ladder)trans-78.4128.7166.1-178.7-126.2000108.6G1341 L1342 F1373H1331-G1341 CarbonylContact O-C 3.58Å; H1331-G1341 VanDerWaalsContact O-CA 3.31Å; H1331-G1341 WeakPolarHBondContact O-CA 3.14Å; H1331-L1342 PolarHBondContact N-O 3.42Å; H1331-L1342 PolarHBondContact O-N 3.14Å; H1331-F1373 HydrophobicContact CB-CD1 4.24Å; H1331-F1373 HydrophobicContact CB-CE1 3.74Å; H1331-F1373 HydrophobicContact CB-CZ 4.3Å; H1331-F1373 AromaticContact CD2-CZ 3.83Å
1332L93.7Very high88.7Confident2 Ų239.9 Ų39.91%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-112.3128.4179.1-59.4-173.6000109.9F1330 F1339 L1372 L1374 L1383 A1404F1330-L1332 HydrophobicContact CB-CD2 4.38Å; L1332-F1339 HydrophobicContact CB-CE2 4.46Å; L1332-F1339 HydrophobicContact CB-CZ 3.9Å; L1332-F1339 HydrophobicContact CD1-CZ 4.33Å; L1332-L1372 HydrophobicContact CB-CB 4.22Å; L1332-L1372 PolarHBondContact N-O 2.95Å; L1332-L1374 HydrophobicContact CD1-CB 3.98Å; L1332-L1374 HydrophobicContact CD1-CD1 4.42Å; L1332-L1374 HydrophobicContact CG-CB 4.26Å; L1332-L1383 HydrophobicContact CD1-CD1 4.25Å; L1332-A1404 HydrophobicContact CD1-CB 3.79Å
1333S90.3Very high88.9Confident12 Ų1233.7 Ų33.78%0.08419%0.192CC..EExtended strand (participates in β ladder)trans-158.1155.1-177.8-1690000112.7Q1335 F1339 E1340S1333-Q1335 WeakPolarHBondContact OG-CB 3.45Å; S1333-Q1335 WeakPolarHBondContact OG-CG 3.09Å; S1333-Q1335 PolarHBondContact OG-N 3.29Å; S1333-Q1335 VanDerWaalsContact OG-N 3.09Å; S1333-F1339 WeakPolarHBondContact O-CA 3.22Å; S1333-E1340 PolarHBondContact N-O 2.96Å; S1333-E1340 PolarHBondContact O-N 3.18Å
1334A87.5Confident88.8Confident17 Ų1734.9 Ų34.914%0.1420%0.198CC..SBendtrans-99.210.2164.600000114W1048 S1336 G1337 F1339 E1400W1048-A1334 HydrophobicContact CH2-CB 4.23Å; W1048-A1334 HydrophobicContact CZ3-CB 3.99Å; A1334-S1336 VanDerWaalsContact C-N 3.34Å; A1334-S1336 PolarHBondContact O-N 3.34Å; A1334-G1337 PolarHBondContact O-N 2.85Å; A1334-G1337 VanDerWaalsContact O-N 3.12Å; A1334-F1339 HydrophobicContact CB-CB 4.33Å; A1334-F1339 HydrophobicContact CB-CD2 4.18Å; A1334-E1400 HydrophobicContact CB-CG 3.77Å; A1334-E1400 PolarHBondContact N-OE2 3.07Å
1335Q79.6Confident88.6Confident84 Ų8431.2 Ų31.239%0.39318%0.18SC..THydrogen-bonded Turntrans-50.8-49.7-176.6-81.8163.720.300112.5E1017 S1333 G1337E1017-Q1335 VanDerWaalsContact OE1-O 3.12Å; S1333-Q1335 WeakPolarHBondContact OG-CB 3.45Å; S1333-Q1335 WeakPolarHBondContact OG-CG 3.09Å; S1333-Q1335 PolarHBondContact OG-N 3.29Å; S1333-Q1335 VanDerWaalsContact OG-N 3.09Å; Q1335-G1337 PolarHBondContact O-N 3.49Å
1336S76.9Confident88.3Confident26 Ų2631 Ų3118%0.18218%0.18CC..THydrogen-bonded Turntrans-65.913.2179.859.20000116.1E1017 A1334 S1338 E1340E1017-S1336 WeakPolarHBondContact OE1-CA 3.19Å; A1334-S1336 VanDerWaalsContact C-N 3.34Å; A1334-S1336 PolarHBondContact O-N 3.34Å; S1336-S1338 VanDerWaalsContact C-N 3.25Å; S1336-S1338 PolarHBondContact O-N 3.38Å; S1336-S1338 PolarHBondContact OG-O 3.08Å; S1336-E1340 VanDerWaalsContact CB-OE1 3.26Å; S1336-E1340 WeakPolarHBondContact CB-OE1 3.28Å; S1336-E1340 PolarHBondContact OG-OE1 2.87Å
1337G75.2Confident88Confident35 Ų3530 Ų3036%0.36118%0.175SC..SBendtrans83.6-10.7-179.300000114.6Q1047 A1334 Q1335Q1047-G1337 VanDerWaalsContact CG-O 3.25Å; Q1047-G1337 WeakPolarHBondContact CG-O 3.43Å; Q1047-G1337 PolarHBondContact NE2-O 3.4Å; A1334-G1337 PolarHBondContact O-N 2.85Å; A1334-G1337 VanDerWaalsContact O-N 3.12Å; Q1335-G1337 PolarHBondContact O-N 3.49Å
1338S82.5Confident87.7Confident53 Ų5330.7 Ų30.737%0.37118%0.179SC..SBendtrans-135.4144.2171.755.40000110.8Q1047 S1336 E1340Q1047-S1338 WeakPolarHBondContact O-CA 3.29Å; S1336-S1338 VanDerWaalsContact C-N 3.25Å; S1336-S1338 PolarHBondContact O-N 3.38Å; S1336-S1338 PolarHBondContact OG-O 3.08Å; S1338-E1340 PolarHBondContact O-N 2.85Å; S1338-E1340 VanDerWaalsContact O-N 3.16Å
1339F89.2Confident87.4Confident3 Ų333.7 Ų33.71%0.01319%0.191CC..  trans-72.9108.1-179.5-173.8-90.9000111.7Q1047 W1048 C1050 L1332 S1333 A1334 E1400 C1403 A1404 T1407Q1047-F1339 PolarHBondContact O-N 3Å; W1048-F1339 HydrophobicContact CE3-CB 4.44Å; C1050-F1339 WeakPolarHBondContact CA-O 3.41Å; C1050-F1339 HydrophobicContact CB-CD1 3.98Å; C1050-F1339 HydrophobicContact CB-CE1 4.26Å; C1050-F1339 WeakPolarHBondContact CB-O 3.18Å; C1050-F1339 PolarHBondContact N-O 3.05Å; L1332-F1339 HydrophobicContact CB-CE2 4.46Å; L1332-F1339 HydrophobicContact CB-CZ 3.9Å; L1332-F1339 HydrophobicContact CD1-CZ 4.33Å; S1333-F1339 WeakPolarHBondContact O-CA 3.22Å; A1334-F1339 HydrophobicContact CB-CB 4.33Å; A1334-F1339 HydrophobicContact CB-CD2 4.18Å; F1339-E1400 HydrophobicContact CD2-CG 4.41Å; F1339-E1400 HydrophobicContact CE2-CB 4.37Å; F1339-C1403 HydrophobicContact CD1-CB 3.75Å; F1339-C1403 HydrophobicContact CD2-CB 3.85Å; F1339-C1403 HydrophobicContact CE1-CB 3.89Å; F1339-C1403 HydrophobicContact CE2-CB 3.97Å; F1339-C1403 HydrophobicContact CG-CB 3.74Å; F1339-C1403 HydrophobicContact CZ-CB 3.99Å; F1339-A1404 HydrophobicContact CE2-CB 4.44Å; F1339-A1404 HydrophobicContact CZ-CB 3.8Å; F1339-A1404 VanDerWaalsContact CZ-N 3.35Å; F1339-T1407 WeakPolarHBondContact CE1-OG1 3.36Å
1340E89.1Confident87.1Confident83 Ų8334.1 Ų34.139%0.38819%0.194SC..EExtended strand (participates in β ladder)trans-127.2179.4-176.773.4-179.4150.100113.2S1333 S1336 S1338S1333-E1340 PolarHBondContact N-O 2.96Å; S1333-E1340 PolarHBondContact O-N 3.18Å; S1336-E1340 VanDerWaalsContact CB-OE1 3.26Å; S1336-E1340 WeakPolarHBondContact CB-OE1 3.28Å; S1336-E1340 PolarHBondContact OG-OE1 2.87Å; S1338-E1340 PolarHBondContact O-N 2.85Å; S1338-E1340 VanDerWaalsContact O-N 3.16Å
1341G89.3Confident86.7Confident20 Ų2041.8 Ų41.821%0.20624%0.235CC..EExtended strand (participates in β ladder)trans-141.7119.2179.200000112.7L1055 H1331L1055-G1341 WeakPolarHBondContact CD1-O 3.4Å; H1331-G1341 CarbonylContact O-C 3.58Å; H1331-G1341 VanDerWaalsContact O-CA 3.31Å; H1331-G1341 WeakPolarHBondContact O-CA 3.14Å
1342L89Confident86.3Confident98 Ų9844.7 Ų44.751%0.51327%0.272SS..EExtended strand (participates in β ladder)trans-98.9119.9-178.7-179.764.6000110.4F1330 H1331 L1344F1330-L1342 CarbonylContact C-O 3.56Å; F1330-L1342 WeakPolarHBondContact CA-O 3.37Å; H1331-L1342 PolarHBondContact N-O 3.42Å; H1331-L1342 PolarHBondContact O-N 3.14Å; L1342-L1344 PolarHBondContact O-N 2.93Å
1343E90.5Very high86.1Confident34 Ų3446.2 Ų46.216%0.15928%0.281CS..EExtended strand (participates in β ladder)trans-73.2122.3175.2-172.1171.3-174.300111R1328 F1330 V1345R1328-E1343 IonicContact CZ-OE1 3.55Å; R1328-E1343 IonicContact CZ-OE2 3.67Å; R1328-E1343 IonicContact NE-OE1 3.86Å; R1328-E1343 PolarHBondContact NE-OE1 3.35Å; R1328-E1343 IonicContact NE-OE2 3.92Å; R1328-E1343 VanDerWaalsContact NH2-CD 3.31Å; R1328-E1343 IonicContact NH2-OE1 2.72Å; R1328-E1343 PolarHBondContact NH2-OE1 3.26Å; R1328-E1343 IonicContact NH2-OE2 2.67Å; R1328-E1343 PolarHBondContact NH2-OE2 3.15Å; F1330-E1343 HydrophobicContact CD1-CB 3.57Å; F1330-E1343 HydrophobicContact CD1-CG 3.96Å; F1330-E1343 HydrophobicContact CE1-CB 3.65Å; F1330-E1343 HydrophobicContact CE1-CG 3.75Å; F1330-E1343 HydrophobicContact CZ-CG 4.43Å; E1343-V1345 HydrophobicContact CG-CG2 4.19Å
1344L88.2Confident86.2Confident39 Ų3947.3 Ų47.320%0.20429%0.286CS..EExtended strand (participates in β ladder)trans-80.3131.2169.6-65.6-177.1000109.8L1329 L1342 F1359 F1373L1329-L1344 HydrophobicContact CD2-CD1 3.91Å; L1329-L1344 HydrophobicContact CG-CD1 4.24Å; L1329-L1344 PolarHBondContact O-N 3.31Å; L1342-L1344 PolarHBondContact O-N 2.93Å; L1344-F1359 HydrophobicContact CB-CE1 4.28Å; L1344-F1359 VanDerWaalsContact O-CE1 3.3Å; L1344-F1359 WeakPolarHBondContact O-CE1 3.19Å; L1344-F1373 HydrophobicContact CD1-CE1 3.83Å
1345V86.5Confident86.4Confident31 Ų3147.4 Ų47.419%0.18828%0.284CS..  trans-127.2133.3-176.3-176.70000109.1G1063 E1343 R1349G1063-V1345 WeakPolarHBondContact O-CB 3.32Å; G1063-V1345 WeakPolarHBondContact O-CG1 3.25Å; E1343-V1345 HydrophobicContact CG-CG2 4.19Å; V1345-R1349 HydrophobicContact CG1-CB 4.39Å
1346S85.1Confident87.1Confident11 Ų1144.1 Ų44.18%0.07727%0.271CS..  trans-67.9130.6177.4177.70000111.3C1348 R1349S1346-C1348 PolarHBondContact O-N 3.33Å; S1346-C1348 VanDerWaalsContact O-N 3.14Å; S1346-C1348 PolarHBondContact OG-SG 3.13Å; S1346-R1349 WeakPolarHBondContact O-CB 3.31Å; S1346-R1349 PolarHBondContact O-N 2.93Å; S1346-R1349 VanDerWaalsContact O-N 3.08Å
1347P86.1Confident87.9Confident16 Ų1643.5 Ų43.510%0.10427%0.266CS..THydrogen-bonded Turntrans-58.7-25.2-178.3-29.337.7000115.5E1180E1180-P1347 HydrophobicContact CB-CG 4.39Å
1348C88.1Confident88.7Confident16 Ų1642.3 Ų42.311%0.10825%0.252CS..THydrogen-bonded Turntrans-93.21.1179.368.70000114.7R1076 L1186 S1346 A1350R1076-C1348 PolarHBondContact NH2-O 3.43Å; L1186-C1348 HydrophobicContact CD1-CB 3.45Å; L1186-C1348 VanDerWaalsContact CD1-CB 3.45Å; S1346-C1348 PolarHBondContact O-N 3.33Å; S1346-C1348 VanDerWaalsContact O-N 3.14Å; S1346-C1348 PolarHBondContact OG-SG 3.13Å; C1348-A1350 PolarHBondContact O-N 2.89Å
1349R88Confident89.1Confident104 Ų10440.3 Ų40.339%0.39224%0.236SC..PPolyproline II helixtrans-53.1129.2-173.4-179.7-177.9-179.3-173.56.2113.1R1076 D1215 V1345 S1346R1076-R1349 PolarHBondContact NH2-O 2.93Å; D1215-R1349 WeakPolarHBondContact OD2-CA 3.4Å; V1345-R1349 HydrophobicContact CG1-CB 4.39Å; S1346-R1349 WeakPolarHBondContact O-CB 3.31Å; S1346-R1349 PolarHBondContact O-N 2.93Å; S1346-R1349 VanDerWaalsContact O-N 3.08Å
1350A87.7Confident89.2Confident10 Ų1041 Ų418%0.08324%0.24CC..PPolyproline II helixtrans-99.8132174.200000111.8D1215 V1216 C1348 G1352 V1353D1215-A1350 HydrophobicContact CB-CB 3.74Å; D1215-A1350 PolarHBondContact OD2-N 2.99Å; V1216-A1350 HydrophobicContact CG2-CB 4.07Å; C1348-A1350 PolarHBondContact O-N 2.89Å; A1350-G1352 PolarHBondContact O-N 2.94Å; A1350-V1353 HydrophobicContact CB-CB 4Å; A1350-V1353 HydrophobicContact CB-CG2 3.56Å; A1350-V1353 PolarHBondContact O-N 3.02Å; A1350-V1353 VanDerWaalsContact O-N 3.11Å
1351N84Confident89.4Confident160 Ų16037.7 Ų37.786%0.85623%0.225SC*.THydrogen-bonded Turntrans-61.8124-179.2-79.5-22.5000111.5V1353N1351-V1353 VanDerWaalsContact C-N 3.31Å; N1351-V1353 PolarHBondContact O-N 3.24Å
1352G85.4Confident89.3Confident85 Ų8539.1 Ų39.188%0.87623%0.228SC*.THydrogen-bonded Turntrans81.2-0.4-178.800000115.5A1350A1350-G1352 PolarHBondContact O-N 2.94Å
1353V89.9Confident89.3Confident33 Ų3336.7 Ų36.720%0.221%0.213CC..  trans-86.5149.3173.8-175.10000110.5D1215 K1259 T1326 A1350 N1351D1215-V1353 HydrophobicContact CB-CB 4.22Å; D1215-V1353 HydrophobicContact CB-CG1 3.83Å; K1259-V1353 HydrophobicContact CB-CG1 4.18Å; K1259-V1353 HydrophobicContact CG-CG1 4.46Å; T1326-V1353 PolarHBondContact OG1-O 3Å; A1350-V1353 HydrophobicContact CB-CB 4Å; A1350-V1353 HydrophobicContact CB-CG2 3.56Å; A1350-V1353 PolarHBondContact O-N 3.02Å; A1350-V1353 VanDerWaalsContact O-N 3.11Å; N1351-V1353 VanDerWaalsContact C-N 3.31Å; N1351-V1353 PolarHBondContact O-N 3.24Å
1354I92.3Very high89.3Confident36 Ų3635.1 Ų35.119%0.18521%0.205CC..  trans-99.3110.1175.9-69.4157.1000108.4H1257 N1324H1257-I1354 HydrophobicContact CB-CG2 4.41Å; N1324-I1354 HydrophobicContact CB-CD1 3.9Å
1355T92.5Very high89.2Confident19 Ų1936.9 Ų36.912%0.11721%0.21CC..  trans-100.1115.3179.3-36.10000108.1D1215 T1326 P1327 P1358D1215-T1355 WeakPolarHBondContact OD1-CB 3.27Å; D1215-T1355 WeakPolarHBondContact OD1-CG2 3.39Å; D1215-T1355 PolarHBondContact OD1-OG1 2.81Å; D1215-T1355 PolarHBondContact OD2-OG1 2.83Å; T1326-T1355 PolarHBondContact OG1-N 2.83Å; P1327-T1355 WeakPolarHBondContact CD-O 3.43Å; T1355-P1358 HydrophobicContact CG2-CB 4.03Å
1356A93.7Very high89Confident14 Ų1440.1 Ų40.112%0.11623%0.23CC..SBendtrans-73.8-33.9-176.300000113.3R1235R1235-A1356 HydrophobicContact CB-CB 3.82Å; R1235-A1356 VanDerWaalsContact O-CB 3.28Å; R1235-A1356 WeakPolarHBondContact O-CB 3.23Å
1357M94.1Very high89Confident14 Ų1440.7 Ų40.77%0.06923%0.233CC..  trans-13668.6-172-58.6171-6000111.4C1211 R1213 R1233 I1438 P1440C1211-M1357 VanDerWaalsContact SG-CE 3.56Å; R1213-M1357 PolarHBondContact NH2-O 3.28Å; R1213-M1357 VanDerWaalsContact NH2-O 3.13Å; R1233-M1357 HydrophobicContact CB-SD 3.9Å; R1233-M1357 HydrophobicContact CG-SD 3.64Å; M1357-I1438 VanDerWaalsContact CA-O 3.23Å; M1357-I1438 WeakPolarHBondContact CA-O 3.39Å; M1357-I1438 WeakPolarHBondContact CB-O 3.27Å; M1357-P1440 HydrophobicContact CB-CG 4.01Å
1358P91.6Very high88.8Confident9 Ų943.7 Ų43.76%0.05825%0.252CS..  trans-74.1-24.1-171.628.5-34.5000114.6R1213 T1326 T1355R1213-P1358 PolarHBondContact NH2-O 2.94Å; R1213-P1358 VanDerWaalsContact NH2-O 3.12Å; T1326-P1358 HydrophobicContact CG2-CB 4.48Å; T1326-P1358 HydrophobicContact CG2-CG 4.16Å; T1355-P1358 HydrophobicContact CG2-CB 4.03Å
1359F91Very high88.5Confident12 Ų1247.1 Ų47.15%0.05327%0.266CS..  trans-111.6153.6-171.6-47.1-57.1000112.4L1329 L1344 I1438 F1439 P1440L1329-F1359 HydrophobicContact CB-CD2 3.73Å; L1329-F1359 HydrophobicContact CB-CE1 4.27Å; L1329-F1359 HydrophobicContact CB-CE2 3.31Å; L1329-F1359 HydrophobicContact CB-CG 4.38Å; L1329-F1359 HydrophobicContact CB-CZ 3.63Å; L1329-F1359 HydrophobicContact CD2-CB 4.43Å; L1329-F1359 HydrophobicContact CD2-CD1 4.5Å; L1329-F1359 HydrophobicContact CD2-CD2 3.97Å; L1329-F1359 HydrophobicContact CD2-CE2 4.41Å; L1329-F1359 HydrophobicContact CD2-CG 4.03Å; L1329-F1359 HydrophobicContact CG-CE2 4.49Å; L1344-F1359 HydrophobicContact CB-CE1 4.28Å; L1344-F1359 VanDerWaalsContact O-CE1 3.3Å; L1344-F1359 WeakPolarHBondContact O-CE1 3.19Å; F1359-I1438 HydrophobicContact CD2-CD1 4.16Å; F1359-F1439 HydrophobicContact CB-CD1 4.2Å; F1359-F1439 HydrophobicContact CB-CE1 3.94Å; F1359-F1439 WeakPolarHBondContact O-CD1 3.42Å; F1359-P1440 WeakPolarHBondContact O-CD 3.41Å
1360L91.2Very high88.5Confident17 Ų1743.7 Ų43.79%0.08926%0.258CS..  trans-96.2155.6162.5-68-171.6000110.5L1223 D1362 K1363 F1439 P1440L1223-L1360 HydrophobicContact CD2-CD2 4.21Å; L1360-D1362 VanDerWaalsContact C-N 3.27Å; L1360-D1362 PolarHBondContact O-N 2.69Å; L1360-K1363 WeakPolarHBondContact O-CB 3.41Å; L1360-K1363 PolarHBondContact O-N 3.14Å; L1360-F1439 VanDerWaalsContact C-CD1 3.48Å; L1360-P1440 HydrophobicContact CD2-CG 3.96Å
1361Q92.5Very high88.6Confident14 Ų1443.2 Ų43.27%0.06525%0.254CS..G310 helixtrans-57.6-40.9177.6173.6175-6.700111.9K1363 L1364 Y1365 W1442 E1443Q1361-K1363 PolarHBondContact O-N 3.36Å; Q1361-L1364 WeakPolarHBondContact O-CB 3.31Å; Q1361-L1364 PolarHBondContact O-N 2.82Å; Q1361-Y1365 HydrophobicContact CG-CE2 3.97Å; Q1361-W1442 HydrophobicContact CB-CE3 3.96Å; Q1361-W1442 HydrophobicContact CB-CZ3 3.96Å; Q1361-W1442 HydrophobicContact CG-CD2 4.38Å; Q1361-W1442 HydrophobicContact CG-CE3 3.87Å; Q1361-W1442 HydrophobicContact CG-CH2 3.99Å; Q1361-W1442 HydrophobicContact CG-CZ2 4.47Å; Q1361-W1442 HydrophobicContact CG-CZ3 3.66Å; Q1361-W1442 VanDerWaalsContact OE1-CA 3.31Å; Q1361-E1443 PolarHBondContact NE2-O 3.15Å
1362D88Confident89.1Confident50 Ų5035.7 Ų35.727%0.26721%0.214SC..G310 helixtrans-52.1-28.2-178.5-57.12.2000112.7R1153 L1360 L1364 Y1365 T1366R1153-D1362 IonicContact CZ-OD1 2.76Å; R1153-D1362 IonicContact CZ-OD2 3.43Å; R1153-D1362 IonicContact NE-OD1 3.78Å; R1153-D1362 IonicContact NE-OD2 2.7Å; R1153-D1362 PolarHBondContact NE-OD2 2.91Å; R1153-D1362 IonicContact NH2-OD1 3.35Å; R1153-D1362 PolarHBondContact NH2-OD1 2.8Å; R1153-D1362 IonicContact NH2-OD2 3.65Å; R1153-D1362 PolarHBondContact NH2-OD2 2.94Å; L1360-D1362 VanDerWaalsContact C-N 3.27Å; L1360-D1362 PolarHBondContact O-N 2.69Å; D1362-L1364 PolarHBondContact O-N 3.29Å; D1362-Y1365 CarbonylContact O-C 3.55Å; D1362-Y1365 WeakPolarHBondContact O-CA 3.4Å; D1362-Y1365 PolarHBondContact O-N 2.67Å; D1362-T1366 WeakPolarHBondContact O-CG2 3.35Å; D1362-T1366 PolarHBondContact O-N 3.33Å
1363K88.3Confident89.6Confident47 Ų4731.7 Ų31.720%0.20417%0.172CC..G310 helixtrans-58.6-31175.9-76.1-61.6-166.7179.90114.4E1180 L1360 Q1361 Y1365 T1366E1180-K1363 WeakPolarHBondContact OE1-CE 3.38Å; E1180-K1363 IonicContact OE1-NZ 3.31Å; E1180-K1363 PolarHBondContact OE1-NZ 3.16Å; E1180-K1363 WeakPolarHBondContact OE2-CE 3.49Å; E1180-K1363 IonicContact OE2-NZ 3.93Å; E1180-K1363 PolarHBondContact OE2-NZ 2.73Å; L1360-K1363 WeakPolarHBondContact O-CB 3.41Å; L1360-K1363 PolarHBondContact O-N 3.14Å; Q1361-K1363 PolarHBondContact O-N 3.36Å; K1363-Y1365 PolarHBondContact O-N 2.97Å; K1363-T1366 WeakPolarHBondContact CA-OG1 3.41Å; K1363-T1366 PolarHBondContact O-OG1 3.14Å
1364L90.3Very high89.9Confident0 Ų030.1 Ų30.10%016%0.163CC..G310 helixtrans-66.2-25.1175.7-58.9175.1000112.1L1329 Q1361 D1362 Q1369 F1373 W1384 F1435 F1439 W1442L1329-L1364 HydrophobicContact CD1-CD2 4.42Å; L1329-L1364 HydrophobicContact CD2-CD2 4.33Å; Q1361-L1364 WeakPolarHBondContact O-CB 3.31Å; Q1361-L1364 PolarHBondContact O-N 2.82Å; D1362-L1364 PolarHBondContact O-N 3.29Å; L1364-Q1369 PolarHBondContact O-NE2 3.06Å; L1364-F1373 HydrophobicContact CB-CE2 4.34Å; L1364-F1373 HydrophobicContact CD2-CB 4.2Å; L1364-F1373 HydrophobicContact CD2-CD1 4.14Å; L1364-F1373 HydrophobicContact CD2-CD2 3.66Å; L1364-F1373 HydrophobicContact CD2-CE1 4.42Å; L1364-F1373 HydrophobicContact CD2-CE2 3.97Å; L1364-F1373 HydrophobicContact CD2-CG 3.74Å; L1364-F1373 HydrophobicContact CD2-CZ 4.33Å; L1364-F1373 WeakPolarHBondContact O-CE2 3.5Å; L1364-W1384 HydrophobicContact CB-CH2 4.12Å; L1364-W1384 HydrophobicContact CB-CZ2 4.47Å; L1364-W1384 HydrophobicContact CB-CZ3 4.31Å; L1364-W1384 HydrophobicContact CD1-CZ2 4.31Å; L1364-F1435 HydrophobicContact CD1-CE1 4.34Å; L1364-F1435 HydrophobicContact CD1-CZ 4.37Å; L1364-F1439 HydrophobicContact CD1-CZ 4.18Å; L1364-W1442 HydrophobicContact CD1-CH2 3.79Å; L1364-W1442 HydrophobicContact CD1-CZ3 4.09Å
1365Y87.8Confident90.1Very high77 Ų7728.4 Ų28.430%0.30215%0.154SC..THydrogen-bonded Turntrans-103.4-18.1-175.6-56.7-79.1000113.3Q1361 D1362 K1363 V1367 W1384Q1361-Y1365 HydrophobicContact CG-CE2 3.97Å; D1362-Y1365 CarbonylContact O-C 3.55Å; D1362-Y1365 WeakPolarHBondContact O-CA 3.4Å; D1362-Y1365 PolarHBondContact O-N 2.67Å; K1363-Y1365 PolarHBondContact O-N 2.97Å; Y1365-V1367 PolarHBondContact O-N 2.89Å; Y1365-W1384 HydrophobicContact CE1-CH2 4.34Å
1366T82Confident90.2Very high98 Ų9828 Ų2860%0.60115%0.151SC*.SBendtrans-66.8-17.6175.453.10000115.1D1362 K1363D1362-T1366 WeakPolarHBondContact O-CG2 3.35Å; D1362-T1366 PolarHBondContact O-N 3.33Å; K1363-T1366 WeakPolarHBondContact CA-OG1 3.41Å; K1363-T1366 PolarHBondContact O-OG1 3.14Å
1367V83.5Confident90.1Very high24 Ų2427.7 Ų27.715%0.14515%0.148CC..SBendtrans-88.5157.8176.8-640000111.6Y1365 Q1369 A1371 F1373Y1365-V1367 PolarHBondContact O-N 2.89Å; V1367-Q1369 PolarHBondContact O-N 3.14Å; V1367-Q1369 PolarHBondContact O-NE2 3.05Å; V1367-A1371 HydrophobicContact CG2-CB 3.51Å; V1367-F1373 HydrophobicContact CB-CZ 4.41Å; V1367-F1373 HydrophobicContact CG1-CZ 3.97Å; V1367-F1373 HydrophobicContact CG2-CE2 3.53Å; V1367-F1373 HydrophobicContact CG2-CZ 3.52Å
1368P82.1Confident89.8Confident78 Ų7832.9 Ų32.951%0.50617%0.167SC..PPolyproline II helixtrans-56.3131.7174.8-23.734000111.7
1369Q83.4Confident89.4Confident88 Ų8836.8 Ų36.841%0.41119%0.187SC..SBendtrans-95.9141.6-178.7-58.2-60.1-42.800111L1364 V1367 S1386L1364-Q1369 PolarHBondContact O-NE2 3.06Å; V1367-Q1369 PolarHBondContact O-N 3.14Å; V1367-Q1369 PolarHBondContact O-NE2 3.05Å; Q1369-S1386 VanDerWaalsContact OE1-CB 3.24Å; Q1369-S1386 PolarHBondContact OE1-OG 3.38Å
1370P86.3Confident89.3Confident32 Ų3237.2 Ų37.221%0.20819%0.189CC..SBendcis-80.5151.84.735.3-37.5000113.4S1386 T1389 W1397P1370-S1386 WeakPolarHBondContact CA-OG 3.16Å; P1370-S1386 WeakPolarHBondContact CB-OG 3.38Å; P1370-T1389 HydrophobicContact CG-CG2 3.62Å; P1370-W1397 HydrophobicContact CB-CH2 3.58Å; P1370-W1397 HydrophobicContact CB-CZ2 3.72Å; P1370-W1397 HydrophobicContact CB-CZ3 4.04Å; P1370-W1397 HydrophobicContact CG-CD2 4.07Å; P1370-W1397 HydrophobicContact CG-CE3 3.89Å; P1370-W1397 HydrophobicContact CG-CH2 3.82Å; P1370-W1397 HydrophobicContact CG-CZ2 4.02Å; P1370-W1397 HydrophobicContact CG-CZ3 3.77Å
1371A90.2Very high89.5Confident1 Ų136.4 Ų36.41%0.00819%0.185CC..  trans-121.5151.1-172.400000113V1367 F1373 S1386V1367-A1371 HydrophobicContact CG2-CB 3.51Å; A1371-F1373 HydrophobicContact CB-CD2 4.21Å; A1371-F1373 HydrophobicContact CB-CE2 3.83Å; A1371-S1386 PolarHBondContact N-OG 3.26Å; A1371-S1386 PolarHBondContact O-N 2.77Å
1372L94.1Very high89.7Confident2 Ų235.8 Ų35.81%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-121.5127.3173.6-71.8164.3000109.9L1332 L1383 Q1385 W1397 E1400 K1401 A1404L1332-L1372 HydrophobicContact CB-CB 4.22Å; L1332-L1372 PolarHBondContact N-O 2.95Å; L1372-L1383 HydrophobicContact CD2-CD1 4.33Å; L1372-Q1385 HydrophobicContact CD2-CB 3.66Å; L1372-W1397 HydrophobicContact CD1-CE3 4.5Å; L1372-W1397 HydrophobicContact CD1-CH2 4.02Å; L1372-W1397 HydrophobicContact CD1-CZ3 3.86Å; L1372-W1397 HydrophobicContact CD2-CH2 4.06Å; L1372-W1397 HydrophobicContact CD2-CZ2 4.39Å; L1372-W1397 HydrophobicContact CG-CH2 3.59Å; L1372-W1397 HydrophobicContact CG-CZ2 4.37Å; L1372-W1397 HydrophobicContact CG-CZ3 3.89Å; L1372-E1400 HydrophobicContact CD1-CB 4.18Å; L1372-K1401 HydrophobicContact CD1-CG 4.19Å; L1372-K1401 HydrophobicContact CD2-CG 4.13Å; L1372-A1404 HydrophobicContact CD1-CB 3.97Å
1373F96.2Very high90.1Very high0 Ų033.5 Ų33.50%017%0.17CC..EExtended strand (participates in β ladder)trans-126.6126.1-179.1-79.8-81000112.1L1329 F1330 H1331 L1344 L1364 V1367 A1371 L1383 W1384L1329-F1373 HydrophobicContact CD1-CB 3.98Å; L1329-F1373 HydrophobicContact CD1-CD1 3.76Å; L1329-F1373 HydrophobicContact CD1-CG 4.21Å; L1329-F1373 HydrophobicContact CD2-CD1 4.38Å; L1329-F1373 HydrophobicContact CG-CD1 3.96Å; L1329-F1373 HydrophobicContact CG-CE1 4.47Å; F1330-F1373 CarbonylContact O-C 3.44Å; F1330-F1373 WeakPolarHBondContact O-CA 3.41Å; F1330-F1373 WeakPolarHBondContact O-CD1 3.41Å; H1331-F1373 HydrophobicContact CB-CD1 4.24Å; H1331-F1373 HydrophobicContact CB-CE1 3.74Å; H1331-F1373 HydrophobicContact CB-CZ 4.3Å; H1331-F1373 AromaticContact CD2-CZ 3.83Å; L1344-F1373 HydrophobicContact CD1-CE1 3.83Å; L1364-F1373 HydrophobicContact CB-CE2 4.34Å; L1364-F1373 HydrophobicContact CD2-CB 4.2Å; L1364-F1373 HydrophobicContact CD2-CD1 4.14Å; L1364-F1373 HydrophobicContact CD2-CD2 3.66Å; L1364-F1373 HydrophobicContact CD2-CE1 4.42Å; L1364-F1373 HydrophobicContact CD2-CE2 3.97Å; L1364-F1373 HydrophobicContact CD2-CG 3.74Å; L1364-F1373 HydrophobicContact CD2-CZ 4.33Å; L1364-F1373 WeakPolarHBondContact O-CE2 3.5Å; V1367-F1373 HydrophobicContact CB-CZ 4.41Å; V1367-F1373 HydrophobicContact CG1-CZ 3.97Å; V1367-F1373 HydrophobicContact CG2-CE2 3.53Å; V1367-F1373 HydrophobicContact CG2-CZ 3.52Å; A1371-F1373 HydrophobicContact CB-CD2 4.21Å; A1371-F1373 HydrophobicContact CB-CE2 3.83Å; F1373-L1383 CarbonylContact O-C 3.56Å; F1373-L1383 WeakPolarHBondContact O-CA 3.43Å; F1373-W1384 HydrophobicContact CB-CB 4.38Å; F1373-W1384 HydrophobicContact CB-CE3 4.4Å; F1373-W1384 AromaticContact CD2-CE3 3.82Å; F1373-W1384 HydrophobicContact CD2-CE3 3.82Å; F1373-W1384 AromaticContact CD2-CZ3 3.96Å; F1373-W1384 HydrophobicContact CD2-CZ3 3.96Å; F1373-W1384 HydrophobicContact CE2-CZ3 4.46Å; F1373-W1384 PolarHBondContact N-O 3.1Å; F1373-W1384 PolarHBondContact O-N 2.81Å
1374L96.4Very high90.4Very high0 Ų031.2 Ų31.20%016%0.16CC..EExtended strand (participates in β ladder)trans-93.7122.1168.1-171159000109L1329 F1330 L1332 V1381 Y1382 A1408 Y1411L1329-L1374 CarbonylContact C-O 3.55Å; L1329-L1374 WeakPolarHBondContact CA-O 3.27Å; F1330-L1374 HydrophobicContact CB-CB 4.39Å; F1330-L1374 HydrophobicContact CD2-CB 4.36Å; F1330-L1374 HydrophobicContact CD2-CD2 3.65Å; F1330-L1374 WeakPolarHBondContact CD2-O 3.19Å; F1330-L1374 HydrophobicContact CE2-CD2 3.93Å; F1330-L1374 PolarHBondContact N-O 3.45Å; F1330-L1374 PolarHBondContact O-N 2.95Å; L1332-L1374 HydrophobicContact CD1-CB 3.98Å; L1332-L1374 HydrophobicContact CD1-CD1 4.42Å; L1332-L1374 HydrophobicContact CG-CB 4.26Å; L1374-V1381 HydrophobicContact CD2-CG1 3.81Å; L1374-V1381 HydrophobicContact CG-CG1 3.95Å; L1374-Y1382 CarbonylContact C-O 3.56Å; L1374-Y1382 WeakPolarHBondContact CA-O 3.42Å; L1374-A1408 HydrophobicContact CD1-CB 3.91Å; L1374-Y1411 HydrophobicContact CD1-CG 4.44Å; L1374-Y1411 HydrophobicContact CD2-CD1 4.2Å; L1374-Y1411 HydrophobicContact CD2-CE1 4.27Å
1375L96Very high90.5Very high1 Ų132 Ų321%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-115.5116.5175.1171.968.2000110.1P1327 R1328 L1329 V1381 Y1382 F1435 I1438P1327-L1375 HydrophobicContact CB-CD1 4.24Å; R1328-L1375 CarbonylContact O-C 3.58Å; R1328-L1375 WeakPolarHBondContact O-CA 3.49Å; L1329-L1375 HydrophobicContact CB-CD1 4.41Å; L1329-L1375 HydrophobicContact CD1-CB 4.09Å; L1329-L1375 HydrophobicContact CD1-CD1 4.39Å; L1375-V1381 CarbonylContact O-C 3.07Å; L1375-V1381 WeakPolarHBondContact O-CA 3.33Å; L1375-Y1382 HydrophobicContact CD2-CD2 4.21Å; L1375-Y1382 PolarHBondContact N-O 2.85Å; L1375-Y1382 PolarHBondContact O-N 3.21Å; L1375-F1435 HydrophobicContact CB-CE2 4.36Å; L1375-F1435 HydrophobicContact CD2-CD2 3.54Å; L1375-F1435 HydrophobicContact CD2-CE2 3.61Å; L1375-F1435 HydrophobicContact CD2-CG 4.23Å; L1375-F1435 HydrophobicContact CD2-CZ 4.35Å; L1375-I1438 HydrophobicContact CD1-CD1 3.69Å; L1375-I1438 HydrophobicContact CD1-CG1 4.46Å; L1375-I1438 HydrophobicContact CD2-CD1 3.9Å; L1375-I1438 HydrophobicContact CD2-CG1 3.93Å; L1375-I1438 HydrophobicContact CG-CD1 4.47Å
1376D94.9Very high90.4Very high9 Ų928.7 Ų28.75%0.04815%0.152CC..EExtended strand (participates in β ladder)trans-93.598.4172.9-175.912.6000110.5P1327 R1328 Y1378 Y1411 R1415P1327-D1376 WeakPolarHBondContact CA-O 2.91Å; R1328-D1376 HydrophobicContact CB-CB 4.39Å; R1328-D1376 PolarHBondContact N-O 3.47Å; R1328-D1376 PolarHBondContact O-N 2.83Å; D1376-Y1378 PolarHBondContact O-N 3.35Å; D1376-Y1378 WeakPolarHBondContact OD1-CA 3.46Å; D1376-Y1378 PolarHBondContact OD1-N 3.33Å; D1376-Y1411 HydrophobicContact CB-CE1 3.86Å; D1376-Y1411 WeakPolarHBondContact OD2-CE1 3.48Å; D1376-Y1411 PolarHBondContact OD2-OH 3.31Å; D1376-R1415 IonicContact OD1-CZ 3.25Å; D1376-R1415 VanDerWaalsContact OD1-CZ 3.25Å; D1376-R1415 IonicContact OD1-NE 3.28Å; D1376-R1415 PolarHBondContact OD1-NE 3.37Å; D1376-R1415 IonicContact OD1-NH1 2.81Å; D1376-R1415 PolarHBondContact OD1-NH1 2.95Å; D1376-R1415 WeakPolarHBondContact OD2-CD 3.47Å; D1376-R1415 IonicContact OD2-CZ 2.95Å; D1376-R1415 IonicContact OD2-NE 2.69Å; D1376-R1415 PolarHBondContact OD2-NE 3.36Å; D1376-R1415 IonicContact OD2-NH1 2.71Å
1377N91.5Very high90Very high9 Ų928.4 Ų28.45%0.04815%0.153CC..  trans-9125.8173.3-162.721.9000111.9R1235 F1325 L1379 E1380 T1434R1235-N1377 PolarHBondContact NH1-OD1 3.16Å; F1325-N1377 VanDerWaalsContact CE2-O 3.28Å; F1325-N1377 WeakPolarHBondContact CE2-O 3.47Å; F1325-N1377 WeakPolarHBondContact CE2-OD1 3.3Å; F1325-N1377 WeakPolarHBondContact CZ-O 3.5Å; N1377-L1379 PolarHBondContact O-N 3.19Å; N1377-E1380 CarbonylContact C-O 3.58Å; N1377-E1380 HydrophobicContact CB-CG 4.28Å; N1377-E1380 PolarHBondContact N-O 2.79Å; N1377-E1380 VanDerWaalsContact N-O 3.07Å; N1377-T1434 PolarHBondContact ND2-O 2.94Å; N1377-T1434 VanDerWaalsContact ND2-O 3.11Å
1378Y88.1Confident89Confident122 Ų12232.7 Ų32.748%0.47817%0.171SC..SBendtrans63.4-48.4175.6-168.7-83.1000117.4F1325 D1376 E1380 R1415F1325-Y1378 HydrophobicContact CB-CD2 3.91Å; F1325-Y1378 HydrophobicContact CB-CG 4.15Å; F1325-Y1378 AromaticContact CD1-CD1 3.81Å; F1325-Y1378 HydrophobicContact CD1-CD1 3.81Å; F1325-Y1378 HydrophobicContact CD1-CD2 4.22Å; F1325-Y1378 AromaticContact CD1-CG 3.61Å; F1325-Y1378 HydrophobicContact CD1-CG 3.61Å; F1325-Y1378 HydrophobicContact CD2-CG 4.16Å; F1325-Y1378 HydrophobicContact CE1-CD1 4Å; F1325-Y1378 AromaticContact CE1-CG 4Å; F1325-Y1378 HydrophobicContact CE1-CG 4Å; F1325-Y1378 VanDerWaalsContact CE2-CB 3.44Å; F1325-Y1378 VanDerWaalsContact CG-CB 3.45Å; F1325-Y1378 HydrophobicContact CG-CD1 4.38Å; F1325-Y1378 HydrophobicContact CG-CD2 4Å; F1325-Y1378 AromaticContact CG-CG 3.71Å; F1325-Y1378 HydrophobicContact CG-CG 3.71Å; F1325-Y1378 HydrophobicContact CZ-CG 4.45Å; D1376-Y1378 PolarHBondContact O-N 3.35Å; D1376-Y1378 WeakPolarHBondContact OD1-CA 3.46Å; D1376-Y1378 PolarHBondContact OD1-N 3.33Å; Y1378-E1380 VanDerWaalsContact C-N 3.34Å; Y1378-R1415 PolarHBondContact O-NH1 3.48Å; Y1378-R1415 PolarHBondContact O-NH2 2.94Å
1379L84.3Confident87.9Confident92 Ų9229.7 Ų29.748%0.48215%0.152SC..SBendtrans-77.1-29174.4-61.4179000111.5F1323 N1377F1323-L1379 HydrophobicContact CE1-CD1 3.73Å; F1323-L1379 HydrophobicContact CZ-CD1 3.78Å; N1377-L1379 PolarHBondContact O-N 3.19Å
1380E88.9Confident86.7Confident20 Ų2029.2 Ų29.29%0.09316%0.158CC..EExtended strand (participates in β ladder)trans-148.6162.2-171.857.2-167.9-163.900109.2N1377 Y1378 Y1382 Y1424 T1434N1377-E1380 CarbonylContact C-O 3.58Å; N1377-E1380 HydrophobicContact CB-CG 4.28Å; N1377-E1380 PolarHBondContact N-O 2.79Å; N1377-E1380 VanDerWaalsContact N-O 3.07Å; Y1378-E1380 VanDerWaalsContact C-N 3.34Å; E1380-Y1382 HydrophobicContact CG-CE2 3.82Å; E1380-Y1382 WeakPolarHBondContact OE1-CE2 3.45Å; E1380-Y1382 VanDerWaalsContact OE1-CZ 3.24Å; E1380-Y1382 PolarHBondContact OE1-OH 3.45Å; E1380-Y1382 PolarHBondContact OE2-OH 3.42Å; E1380-Y1424 HydrophobicContact CB-CE2 4.31Å; E1380-T1434 WeakPolarHBondContact OE1-CB 3.3Å
1381V95Very high85.1Confident0 Ų031.5 Ų31.50%018%0.18CC..EExtended strand (participates in β ladder)trans-128.2138.5177.8178.90000108.1L1374 L1375 Y1411 P1421 I1422 A1423 Y1424L1374-V1381 HydrophobicContact CD2-CG1 3.81Å; L1374-V1381 HydrophobicContact CG-CG1 3.95Å; L1375-V1381 CarbonylContact O-C 3.07Å; L1375-V1381 WeakPolarHBondContact O-CA 3.33Å; V1381-Y1411 HydrophobicContact CG2-CD1 4.41Å; V1381-Y1411 HydrophobicContact CG2-CE1 4.43Å; V1381-P1421 HydrophobicContact CG2-CB 4.3Å; V1381-P1421 HydrophobicContact CG2-CG 3.88Å; V1381-I1422 PolarHBondContact N-O 2.94Å; V1381-A1423 CarbonylContact O-C 3.54Å; V1381-A1423 VanDerWaalsContact O-CA 3.27Å; V1381-A1423 WeakPolarHBondContact O-CA 3.29Å; V1381-Y1424 PolarHBondContact O-N 3.14Å
1382Y96.4Very high83.2Confident2 Ų236.8 Ų36.81%0.00821%0.214CC..EExtended strand (participates in β ladder)trans-113139.2175.6-65-72.5000109.9L1374 L1375 E1380 Y1424 I1426 P1432 T1434 F1435L1374-Y1382 CarbonylContact C-O 3.56Å; L1374-Y1382 WeakPolarHBondContact CA-O 3.42Å; L1375-Y1382 HydrophobicContact CD2-CD2 4.21Å; L1375-Y1382 PolarHBondContact N-O 2.85Å; L1375-Y1382 PolarHBondContact O-N 3.21Å; E1380-Y1382 HydrophobicContact CG-CE2 3.82Å; E1380-Y1382 WeakPolarHBondContact OE1-CE2 3.45Å; E1380-Y1382 VanDerWaalsContact OE1-CZ 3.24Å; E1380-Y1382 PolarHBondContact OE1-OH 3.45Å; E1380-Y1382 PolarHBondContact OE2-OH 3.42Å; Y1382-Y1424 CarbonylContact C-O 3.58Å; Y1382-Y1424 WeakPolarHBondContact CA-O 3.48Å; Y1382-Y1424 HydrophobicContact CD1-CD2 4.27Å; Y1382-Y1424 HydrophobicContact CD1-CG 4.46Å; Y1382-Y1424 AromaticContact CE1-CD2 3.82Å; Y1382-Y1424 HydrophobicContact CE1-CD2 3.82Å; Y1382-Y1424 HydrophobicContact CE1-CG 4.19Å; Y1382-I1426 HydrophobicContact CD1-CD1 3.15Å; Y1382-I1426 HydrophobicContact CD1-CG1 4.03Å; Y1382-I1426 HydrophobicContact CE1-CD1 3.61Å; Y1382-I1426 HydrophobicContact CG-CD1 3.82Å; Y1382-P1432 HydrophobicContact CE1-CG 3.94Å; Y1382-T1434 PolarHBondContact OH-OG1 3.14Å; Y1382-F1435 HydrophobicContact CD1-CD2 4.49Å; Y1382-F1435 HydrophobicContact CD2-CB 4.48Å; Y1382-F1435 AromaticContact CD2-CD2 3.87Å; Y1382-F1435 HydrophobicContact CD2-CD2 3.87Å; Y1382-F1435 HydrophobicContact CE2-CB 4.36Å; Y1382-F1435 AromaticContact CG-CD2 3.82Å; Y1382-F1435 HydrophobicContact CG-CD2 3.82Å
1383L96.4Very high81.8Confident1 Ų142.2 Ų42.21%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-109.5106.6161.4177.359.2000106.3L1332 L1372 F1373 A1404 M1405 Y1424 L1425 I1426 V1460L1332-L1383 HydrophobicContact CD1-CD1 4.25Å; L1372-L1383 HydrophobicContact CD2-CD1 4.33Å; F1373-L1383 CarbonylContact O-C 3.56Å; F1373-L1383 WeakPolarHBondContact O-CA 3.43Å; L1383-A1404 HydrophobicContact CD1-CB 3.97Å; L1383-A1404 HydrophobicContact CD2-CB 3.96Å; L1383-M1405 HydrophobicContact CD2-CB 4.39Å; L1383-M1405 HydrophobicContact CD2-CG 3.66Å; L1383-Y1424 PolarHBondContact N-O 3.37Å; L1383-L1425 HydrophobicContact CB-CD1 4.33Å; L1383-L1425 HydrophobicContact CD2-CD1 4.05Å; L1383-L1425 HydrophobicContact CG-CD1 4Å; L1383-L1425 WeakPolarHBondContact O-CA 3.49Å; L1383-I1426 PolarHBondContact O-N 2.98Å; L1383-V1460 HydrophobicContact CB-CG2 4.17Å
1384W95.2Very high80.6Confident0 Ų046 Ų460%025%0.254CS..EExtended strand (participates in β ladder)trans-94.1137177.7-178.897.7000109.3L1364 Y1365 F1373 I1426 E1428 E1431 F1435L1364-W1384 HydrophobicContact CB-CH2 4.12Å; L1364-W1384 HydrophobicContact CB-CZ2 4.47Å; L1364-W1384 HydrophobicContact CB-CZ3 4.31Å; L1364-W1384 HydrophobicContact CD1-CZ2 4.31Å; Y1365-W1384 HydrophobicContact CE1-CH2 4.34Å; F1373-W1384 HydrophobicContact CB-CB 4.38Å; F1373-W1384 HydrophobicContact CB-CE3 4.4Å; F1373-W1384 AromaticContact CD2-CE3 3.82Å; F1373-W1384 HydrophobicContact CD2-CE3 3.82Å; F1373-W1384 AromaticContact CD2-CZ3 3.96Å; F1373-W1384 HydrophobicContact CD2-CZ3 3.96Å; F1373-W1384 HydrophobicContact CE2-CZ3 4.46Å; F1373-W1384 PolarHBondContact N-O 3.1Å; F1373-W1384 PolarHBondContact O-N 2.81Å; W1384-I1426 WeakPolarHBondContact CA-O 3.39Å; W1384-E1428 HydrophobicContact CH2-CB 4.47Å; W1384-E1428 HydrophobicContact CZ2-CB 3.8Å; W1384-E1428 HydrophobicContact CZ2-CG 4.01Å; W1384-E1431 PolarHBondContact NE1-OE1 2.89Å; W1384-F1435 HydrophobicContact CB-CE2 3.99Å; W1384-F1435 HydrophobicContact CB-CZ 3.98Å; W1384-F1435 AromaticContact CD1-CZ 3.53Å; W1384-F1435 HydrophobicContact CG-CE2 4.32Å; W1384-F1435 AromaticContact CG-CZ 3.87Å; W1384-F1435 HydrophobicContact CG-CZ 3.87Å
1385Q91.7Very high79.4Confident15 Ų1549.4 Ų49.47%0.0728%0.275CS..EExtended strand (participates in β ladder)trans-128.3138.2174.772.7-174.5-3.200110.5L1372 K1401 I1426 D1427 E1428L1372-Q1385 HydrophobicContact CD2-CB 3.66Å; Q1385-K1401 VanDerWaalsContact OE1-CD 3.32Å; Q1385-K1401 VanDerWaalsContact OE1-NZ 3.07Å; Q1385-I1426 PolarHBondContact N-O 2.63Å; Q1385-D1427 PolarHBondContact NE2-OD1 3.17Å; Q1385-E1428 PolarHBondContact O-N 3.48Å
1386S86.4Confident78.5Confident9 Ų953 Ų536%0.06329%0.294CS..  trans-71.5176.5170.766.90000112.4Q1369 P1370 A1371 E1428Q1369-S1386 VanDerWaalsContact OE1-CB 3.24Å; Q1369-S1386 PolarHBondContact OE1-OG 3.38Å; P1370-S1386 WeakPolarHBondContact CA-OG 3.16Å; P1370-S1386 WeakPolarHBondContact CB-OG 3.38Å; A1371-S1386 PolarHBondContact N-OG 3.26Å; A1371-S1386 PolarHBondContact O-N 2.77Å; S1386-E1428 VanDerWaalsContact CA-OE2 3.25Å; S1386-E1428 WeakPolarHBondContact CA-OE2 3.34Å; S1386-E1428 WeakPolarHBondContact CB-OE2 3.24Å
1387C72.1Confident77.9Confident92 Ų9253.4 Ų53.462%0.62230%0.295SS*.SBendtrans-51.7154.9175.1-156.60000114.4E1428C1387-E1428 PolarHBondContact N-OE2 3.16Å
1388E62.8Low77.4Confident114 Ų11454.4 Ų54.453%0.53330%0.301SS..PPolyproline II helixtrans-66.1145-168.7-68.9-159.5160.800115.3R1394E1388-R1394 IonicContact OE1-CZ 2.86Å; E1388-R1394 IonicContact OE1-NH1 2.7Å; E1388-R1394 IonicContact OE1-NH2 3.8Å; E1388-R1394 PolarHBondContact OE1-NH2 3.17Å; E1388-R1394 IonicContact OE2-CZ 3.57Å; E1388-R1394 VanDerWaalsContact OE2-CZ 3.26Å; E1388-R1394 IonicContact OE2-NH1 2.69Å; E1388-R1394 PolarHBondContact OE2-NH1 3.39Å; E1388-R1394 IonicContact OE2-NH2 3.55Å; E1388-R1394 PolarHBondContact OE2-NH2 3.11Å
1389T59.6Low77.3Confident15 Ų1553.5 Ų53.59%0.09230%0.299CS..PPolyproline II helixtrans-56.2146.2168.148.70000113.3P1370 Q1393 W1397P1370-T1389 HydrophobicContact CG-CG2 3.62Å; T1389-Q1393 HydrophobicContact CG2-CB 4.13Å; T1389-W1397 HydrophobicContact CG2-CB 3.63Å; T1389-W1397 HydrophobicContact CG2-CD2 4.01Å; T1389-W1397 HydrophobicContact CG2-CG 3.54Å
1390S58.4Low77.5Confident78 Ų7850.8 Ų50.855%0.54528%0.284SS..PPolyproline II helixtrans-55.2145.6158.176.20000111.7P1392 Q1393S1390-P1392 WeakPolarHBondContact O-CD 3.44Å; S1390-P1392 VanDerWaalsContact O-N 3.08Å; S1390-Q1393 PolarHBondContact O-N 3.11Å; S1390-Q1393 VanDerWaalsContact O-N 3.15Å
1391A52.5Low77.5Confident80 Ų8050 Ų5066%0.66128%0.28SS*.G310 helixtrans-42.7-44.3-172.700000117.2Q1393 R1394A1391-Q1393 VanDerWaalsContact C-N 3.29Å; A1391-Q1393 PolarHBondContact O-N 2.97Å; A1391-R1394 WeakPolarHBondContact O-CB 3.46Å; A1391-R1394 PolarHBondContact O-N 3.24Å
1392P50.8Low77.3Confident112 Ų11253.4 Ų53.473%0.72730%0.295SS*.G310 helixtrans-65.2-23.3-17624.3-35.6000115.4S1390S1390-P1392 WeakPolarHBondContact O-CD 3.44Å; S1390-P1392 VanDerWaalsContact O-N 3.08Å
1393Q63.7Low77.1Confident116 Ų11653.9 Ų53.954%0.54230%0.298SS..G310 helixtrans-94.6-10.1179.4-77.6-177.1-31.200114T1389 S1390 A1391 P1395 L1396 W1397T1389-Q1393 HydrophobicContact CG2-CB 4.13Å; S1390-Q1393 PolarHBondContact O-N 3.11Å; S1390-Q1393 VanDerWaalsContact O-N 3.15Å; A1391-Q1393 VanDerWaalsContact C-N 3.29Å; A1391-Q1393 PolarHBondContact O-N 2.97Å; Q1393-P1395 VanDerWaalsContact C-CD 3.45Å; Q1393-P1395 VanDerWaalsContact C-N 3.35Å; Q1393-P1395 VanDerWaalsContact O-N 3.17Å; Q1393-L1396 PolarHBondContact O-N 3.03Å; Q1393-W1397 PolarHBondContact O-N 3.25Å; Q1393-W1397 VanDerWaalsContact O-N 3.09Å
1394R72Confident77Confident80 Ų8053.8 Ų53.830%0.30230%0.298SS..Hα-helixtrans-50.3-41.7-176.4-158178.7-168.2113.910.7114.2E1388 A1391 L1396 W1397 D1398E1388-R1394 IonicContact OE1-CZ 2.86Å; E1388-R1394 IonicContact OE1-NH1 2.7Å; E1388-R1394 IonicContact OE1-NH2 3.8Å; E1388-R1394 PolarHBondContact OE1-NH2 3.17Å; E1388-R1394 IonicContact OE2-CZ 3.57Å; E1388-R1394 VanDerWaalsContact OE2-CZ 3.26Å; E1388-R1394 IonicContact OE2-NH1 2.69Å; E1388-R1394 PolarHBondContact OE2-NH1 3.39Å; E1388-R1394 IonicContact OE2-NH2 3.55Å; E1388-R1394 PolarHBondContact OE2-NH2 3.11Å; A1391-R1394 WeakPolarHBondContact O-CB 3.46Å; A1391-R1394 PolarHBondContact O-N 3.24Å; R1394-L1396 VanDerWaalsContact C-N 3.27Å; R1394-L1396 PolarHBondContact O-N 3.3Å; R1394-W1397 PolarHBondContact O-N 3.35Å; R1394-D1398 WeakPolarHBondContact O-CB 3.32Å; R1394-D1398 VanDerWaalsContact O-CG 3.28Å; R1394-D1398 PolarHBondContact O-N 2.98Å
1395P70.6Confident77Confident70 Ų7053.9 Ų53.946%0.45530%0.298SS..Hα-helixtrans-73.3-8.1-179.6-18.433.6000116.1Q1393 K1399Q1393-P1395 VanDerWaalsContact C-CD 3.45Å; Q1393-P1395 VanDerWaalsContact C-N 3.35Å; Q1393-P1395 VanDerWaalsContact O-N 3.17Å; P1395-K1399 WeakPolarHBondContact O-CD 3.47Å; P1395-K1399 WeakPolarHBondContact O-CE 3.32Å; P1395-K1399 PolarHBondContact O-NZ 2.58Å
1396L76.7Confident77.1Confident78 Ų7857.2 Ų57.241%0.40831%0.314SS..Hα-helixtrans-94.6-46.3167.3-73.5168.2000109.7Q1393 R1394 D1398 K1399 E1400Q1393-L1396 PolarHBondContact O-N 3.03Å; R1394-L1396 VanDerWaalsContact C-N 3.27Å; R1394-L1396 PolarHBondContact O-N 3.3Å; L1396-D1398 PolarHBondContact O-N 3.42Å; L1396-K1399 WeakPolarHBondContact O-CA 3.39Å; L1396-K1399 VanDerWaalsContact O-CB 3.32Å; L1396-K1399 WeakPolarHBondContact O-CB 3.43Å; L1396-K1399 PolarHBondContact O-N 3.38Å; L1396-E1400 PolarHBondContact O-N 2.89Å
1397W83Confident77.5Confident17 Ų1757.2 Ų57.26%0.06431%0.313CS..Hα-helixtrans-56.9-42.8176.3-177.8-122.6000113.5P1370 L1372 T1389 Q1393 R1394 K1399 E1400 K1401P1370-W1397 HydrophobicContact CB-CH2 3.58Å; P1370-W1397 HydrophobicContact CB-CZ2 3.72Å; P1370-W1397 HydrophobicContact CB-CZ3 4.04Å; P1370-W1397 HydrophobicContact CG-CD2 4.07Å; P1370-W1397 HydrophobicContact CG-CE3 3.89Å; P1370-W1397 HydrophobicContact CG-CH2 3.82Å; P1370-W1397 HydrophobicContact CG-CZ2 4.02Å; P1370-W1397 HydrophobicContact CG-CZ3 3.77Å; L1372-W1397 HydrophobicContact CD1-CE3 4.5Å; L1372-W1397 HydrophobicContact CD1-CH2 4.02Å; L1372-W1397 HydrophobicContact CD1-CZ3 3.86Å; L1372-W1397 HydrophobicContact CD2-CH2 4.06Å; L1372-W1397 HydrophobicContact CD2-CZ2 4.39Å; L1372-W1397 HydrophobicContact CG-CH2 3.59Å; L1372-W1397 HydrophobicContact CG-CZ2 4.37Å; L1372-W1397 HydrophobicContact CG-CZ3 3.89Å; T1389-W1397 HydrophobicContact CG2-CB 3.63Å; T1389-W1397 HydrophobicContact CG2-CD2 4.01Å; T1389-W1397 HydrophobicContact CG2-CG 3.54Å; Q1393-W1397 PolarHBondContact O-N 3.25Å; Q1393-W1397 VanDerWaalsContact O-N 3.09Å; R1394-W1397 PolarHBondContact O-N 3.35Å; W1397-K1399 PolarHBondContact O-N 3.11Å; W1397-E1400 PolarHBondContact O-N 3.24Å; W1397-K1401 HydrophobicContact CD2-CD 4.29Å; W1397-K1401 HydrophobicContact CD2-CG 4.29Å; W1397-K1401 HydrophobicContact CG-CD 4.33Å; W1397-K1401 HydrophobicContact CZ2-CD 4.25Å; W1397-K1401 HydrophobicContact CZ2-CG 4.29Å; W1397-K1401 WeakPolarHBondContact O-CB 3.34Å; W1397-K1401 WeakPolarHBondContact O-CG 3.17Å; W1397-K1401 PolarHBondContact O-N 3.22Å
1398D82Confident78.6Confident30 Ų3052.8 Ų52.816%0.1628%0.284CS..Hα-helixtrans-63.1-26.6175.8-71.7-14.7000112.2R1394 L1396 K1402R1394-D1398 WeakPolarHBondContact O-CB 3.32Å; R1394-D1398 VanDerWaalsContact O-CG 3.28Å; R1394-D1398 PolarHBondContact O-N 2.98Å; L1396-D1398 PolarHBondContact O-N 3.42Å; D1398-K1402 VanDerWaalsContact O-CB 3.28Å; D1398-K1402 WeakPolarHBondContact O-CB 3.45Å; D1398-K1402 PolarHBondContact O-N 3.02Å; D1398-K1402 VanDerWaalsContact O-N 3.12Å
1399K84.1Confident80.1Confident103 Ų10348.4 Ų48.445%0.44826%0.264SS..Hα-helixtrans-77.8-44.8172.9-63.6169.2-174.5154.20111.3W1048 P1395 L1396 W1397 K1402 C1403W1048-K1399 HydrophobicContact CE3-CB 4.31Å; W1048-K1399 HydrophobicContact CH2-CB 4.13Å; W1048-K1399 HydrophobicContact CH2-CD 4.46Å; W1048-K1399 HydrophobicContact CZ3-CB 3.84Å; P1395-K1399 WeakPolarHBondContact O-CD 3.47Å; P1395-K1399 WeakPolarHBondContact O-CE 3.32Å; P1395-K1399 PolarHBondContact O-NZ 2.58Å; L1396-K1399 WeakPolarHBondContact O-CA 3.39Å; L1396-K1399 VanDerWaalsContact O-CB 3.32Å; L1396-K1399 WeakPolarHBondContact O-CB 3.43Å; L1396-K1399 PolarHBondContact O-N 3.38Å; W1397-K1399 PolarHBondContact O-N 3.11Å; K1399-K1402 PolarHBondContact O-N 3.38Å; K1399-C1403 WeakPolarHBondContact O-CB 3.3Å; K1399-C1403 PolarHBondContact O-N 2.9Å; K1399-C1403 PolarHBondContact O-SG 3.33Å; K1399-C1403 VanDerWaalsContact O-SG 3.33Å
1400E89.1Confident81.7Confident35 Ų3551.2 Ų51.216%0.16428%0.276CS..Hα-helixtrans-61.3-45.9175.4-72-175.1-113.200111.4W1048 A1334 F1339 L1372 L1396 W1397 K1402 C1403 A1404W1048-E1400 HydrophobicContact CH2-CG 4.43Å; W1048-E1400 HydrophobicContact CZ3-CG 3.86Å; A1334-E1400 HydrophobicContact CB-CG 3.77Å; A1334-E1400 PolarHBondContact N-OE2 3.07Å; F1339-E1400 HydrophobicContact CD2-CG 4.41Å; F1339-E1400 HydrophobicContact CE2-CB 4.37Å; L1372-E1400 HydrophobicContact CD1-CB 4.18Å; L1396-E1400 PolarHBondContact O-N 2.89Å; W1397-E1400 PolarHBondContact O-N 3.24Å; E1400-K1402 PolarHBondContact O-N 3.14Å; E1400-C1403 PolarHBondContact O-N 3.08Å; E1400-A1404 WeakPolarHBondContact O-CB 3.47Å; E1400-A1404 PolarHBondContact O-N 3.11Å
1401K90Very high83.4Confident3 Ų347.5 Ų47.51%0.01325%0.25CS..Hα-helixtrans-54-48.9170.3-81178.453.2162.70111.9L1372 Q1385 W1397 A1404 M1405 E1484L1372-K1401 HydrophobicContact CD1-CG 4.19Å; L1372-K1401 HydrophobicContact CD2-CG 4.13Å; Q1385-K1401 VanDerWaalsContact OE1-CD 3.32Å; Q1385-K1401 VanDerWaalsContact OE1-NZ 3.07Å; W1397-K1401 HydrophobicContact CD2-CD 4.29Å; W1397-K1401 HydrophobicContact CD2-CG 4.29Å; W1397-K1401 HydrophobicContact CG-CD 4.33Å; W1397-K1401 HydrophobicContact CZ2-CD 4.25Å; W1397-K1401 HydrophobicContact CZ2-CG 4.29Å; W1397-K1401 WeakPolarHBondContact O-CB 3.34Å; W1397-K1401 WeakPolarHBondContact O-CG 3.17Å; W1397-K1401 PolarHBondContact O-N 3.22Å; K1401-A1404 PolarHBondContact O-N 3Å; K1401-M1405 VanDerWaalsContact O-CG 3.27Å; K1401-M1405 WeakPolarHBondContact O-CG 3.06Å; K1401-M1405 PolarHBondContact O-N 3.35Å; K1401-E1484 WeakPolarHBondContact CE-OE1 3.44Å; K1401-E1484 IonicContact NZ-OE1 2.67Å; K1401-E1484 PolarHBondContact NZ-OE1 3.02Å
1402K90.1Very high85.3Confident71 Ų7143.9 Ų43.931%0.30922%0.22SC..Hα-helixtrans-60.5-46.1177.3173.7171.5171.3172.30112.2D1398 K1399 E1400 A1404 M1405 E1406 L1464 N1468D1398-K1402 VanDerWaalsContact O-CB 3.28Å; D1398-K1402 WeakPolarHBondContact O-CB 3.45Å; D1398-K1402 PolarHBondContact O-N 3.02Å; D1398-K1402 VanDerWaalsContact O-N 3.12Å; K1399-K1402 PolarHBondContact O-N 3.38Å; E1400-K1402 PolarHBondContact O-N 3.14Å; K1402-A1404 VanDerWaalsContact C-N 3.34Å; K1402-A1404 PolarHBondContact O-N 2.78Å; K1402-M1405 PolarHBondContact O-N 3.24Å; K1402-E1406 WeakPolarHBondContact CE-OE1 3.48Å; K1402-E1406 IonicContact NZ-OE1 3.83Å; K1402-E1406 WeakPolarHBondContact O-CG 3.48Å; K1402-E1406 PolarHBondContact O-N 2.95Å; K1402-L1464 HydrophobicContact CG-CD1 3.9Å; K1402-N1468 WeakPolarHBondContact CE-OD1 3.15Å; K1402-N1468 PolarHBondContact NZ-OD1 2.93Å
1403C91.7Very high87.3Confident12 Ų1243 Ų438%0.08120%0.204CC..Hα-helixtrans-65.5-36.2178.2-70.70000112.1W1048 F1339 K1399 E1400 T1407W1048-C1403 PolarHBondContact O-SG 3.43Å; W1048-C1403 VanDerWaalsContact O-SG 3.37Å; F1339-C1403 HydrophobicContact CD1-CB 3.75Å; F1339-C1403 HydrophobicContact CD2-CB 3.85Å; F1339-C1403 HydrophobicContact CE1-CB 3.89Å; F1339-C1403 HydrophobicContact CE2-CB 3.97Å; F1339-C1403 HydrophobicContact CG-CB 3.74Å; F1339-C1403 HydrophobicContact CZ-CB 3.99Å; K1399-C1403 WeakPolarHBondContact O-CB 3.3Å; K1399-C1403 PolarHBondContact O-N 2.9Å; K1399-C1403 PolarHBondContact O-SG 3.33Å; K1399-C1403 VanDerWaalsContact O-SG 3.33Å; E1400-C1403 PolarHBondContact O-N 3.08Å; C1403-T1407 WeakPolarHBondContact O-CB 3.24Å; C1403-T1407 PolarHBondContact O-N 3.37Å; C1403-T1407 PolarHBondContact O-OG1 2.9Å
1404A94.5Very high88.6Confident0 Ų040.1 Ų40.10%019%0.191CC..Hα-helixtrans-64.8-43.3172.400000112.1L1332 F1339 L1372 L1383 E1400 K1401 K1402 T1407 A1408L1332-A1404 HydrophobicContact CD1-CB 3.79Å; F1339-A1404 HydrophobicContact CE2-CB 4.44Å; F1339-A1404 HydrophobicContact CZ-CB 3.8Å; F1339-A1404 VanDerWaalsContact CZ-N 3.35Å; L1372-A1404 HydrophobicContact CD1-CB 3.97Å; L1383-A1404 HydrophobicContact CD1-CB 3.97Å; L1383-A1404 HydrophobicContact CD2-CB 3.96Å; E1400-A1404 WeakPolarHBondContact O-CB 3.47Å; E1400-A1404 PolarHBondContact O-N 3.11Å; K1401-A1404 PolarHBondContact O-N 3Å; K1402-A1404 VanDerWaalsContact C-N 3.34Å; K1402-A1404 PolarHBondContact O-N 2.78Å; A1404-T1407 PolarHBondContact O-N 2.83Å; A1404-A1408 WeakPolarHBondContact O-CB 3.44Å; A1404-A1408 PolarHBondContact O-N 3.03Å
1405M94.8Very high89.4Confident1 Ų138.3 Ų38.31%0.00518%0.184CC..Hα-helixtrans-64.2-43.4175.4-69.4-175.2-159.600112.4L1383 K1401 K1402 A1408 L1409 L1425 V1460 A1463 L1464 L1467L1383-M1405 HydrophobicContact CD2-CB 4.39Å; L1383-M1405 HydrophobicContact CD2-CG 3.66Å; K1401-M1405 VanDerWaalsContact O-CG 3.27Å; K1401-M1405 WeakPolarHBondContact O-CG 3.06Å; K1401-M1405 PolarHBondContact O-N 3.35Å; K1402-M1405 PolarHBondContact O-N 3.24Å; M1405-A1408 PolarHBondContact O-N 3.39Å; M1405-L1409 WeakPolarHBondContact O-CG 3.35Å; M1405-L1409 PolarHBondContact O-N 3.16Å; M1405-L1425 HydrophobicContact CE-CD1 4.13Å; M1405-L1425 HydrophobicContact CE-CD2 3.78Å; M1405-V1460 HydrophobicContact CB-CG1 3.61Å; M1405-V1460 HydrophobicContact CG-CG1 3.85Å; M1405-V1460 WeakPolarHBondContact O-CG1 3.5Å; M1405-A1463 HydrophobicContact CE-CB 3.96Å; M1405-A1463 HydrophobicContact SD-CB 3.81Å; M1405-L1464 HydrophobicContact CB-CB 4.17Å; M1405-L1464 HydrophobicContact CB-CD1 4.06Å; M1405-L1464 HydrophobicContact CB-CD2 4.47Å; M1405-L1464 HydrophobicContact CB-CG 4.46Å; M1405-L1464 HydrophobicContact SD-CB 4.01Å; M1405-L1467 HydrophobicContact CE-CD1 3.6Å; M1405-L1467 HydrophobicContact SD-CD1 3.78Å
1406E94.1Very high90.2Very high85 Ų8538.1 Ų38.140%0.39718%0.179SC..Hα-helixtrans-64.8-41.5175.4-74.1-178.1-162.500111.7K1402 L1409 Q1410 L1464K1402-E1406 WeakPolarHBondContact CE-OE1 3.48Å; K1402-E1406 IonicContact NZ-OE1 3.83Å; K1402-E1406 WeakPolarHBondContact O-CG 3.48Å; K1402-E1406 PolarHBondContact O-N 2.95Å; E1406-L1409 PolarHBondContact O-N 2.8Å; E1406-Q1410 VanDerWaalsContact O-CB 3.32Å; E1406-Q1410 WeakPolarHBondContact O-CB 3.4Å; E1406-Q1410 PolarHBondContact O-N 3.16Å; E1406-L1464 HydrophobicContact CG-CD1 3.93Å; E1406-L1464 HydrophobicContact CG-CD2 3.66Å; E1406-L1464 HydrophobicContact CG-CG 4.45Å
1407T94.5Very high90.8Very high9 Ų939.5 Ų39.56%0.05519%0.193CC..Hα-helixtrans-62.5-45.8175-630000111.4C1050 V1052 L1055 F1339 C1403 A1404 Q1410 Y1411C1050-T1407 HydrophobicContact CB-CG2 3.99Å; V1052-T1407 HydrophobicContact CG2-CG2 3.95Å; L1055-T1407 HydrophobicContact CD2-CG2 4.39Å; F1339-T1407 WeakPolarHBondContact CE1-OG1 3.36Å; C1403-T1407 WeakPolarHBondContact O-CB 3.24Å; C1403-T1407 PolarHBondContact O-N 3.37Å; C1403-T1407 PolarHBondContact O-OG1 2.9Å; A1404-T1407 PolarHBondContact O-N 2.83Å; T1407-Q1410 CarbonylContact O-C 3.54Å; T1407-Q1410 PolarHBondContact O-N 3.28Å; T1407-Y1411 WeakPolarHBondContact O-CB 3.43Å; T1407-Y1411 PolarHBondContact O-N 2.86Å
1408A95.1Very high91.1Very high0 Ų048.4 Ų48.40%023%0.226CC..Hα-helixtrans-61.8-47.1177.100000112.1L1374 A1404 M1405 Q1410 Y1411 C1412 V1460L1374-A1408 HydrophobicContact CD1-CB 3.91Å; A1404-A1408 WeakPolarHBondContact O-CB 3.44Å; A1404-A1408 PolarHBondContact O-N 3.03Å; M1405-A1408 PolarHBondContact O-N 3.39Å; A1408-Q1410 VanDerWaalsContact C-N 3.27Å; A1408-Q1410 PolarHBondContact O-N 3.02Å; A1408-Y1411 PolarHBondContact O-N 3.05Å; A1408-C1412 PolarHBondContact O-N 2.82Å; A1408-C1412 PolarHBondContact O-SG 3.31Å; A1408-V1460 HydrophobicContact CB-CG1 4.44Å
1409L94.3Very high91.4Very high22 Ų2253.1 Ų53.112%0.11524%0.242CC..Hα-helixtrans-64.6-31.1176.3-68.6172.7000112.6M1405 E1406 K1413 A1423 V1460 Q1461 L1464M1405-L1409 WeakPolarHBondContact O-CG 3.35Å; M1405-L1409 PolarHBondContact O-N 3.16Å; E1406-L1409 PolarHBondContact O-N 2.8Å; L1409-K1413 VanDerWaalsContact O-CD 3.28Å; L1409-K1413 WeakPolarHBondContact O-CD 3.44Å; L1409-K1413 VanDerWaalsContact O-CE 3.23Å; L1409-K1413 WeakPolarHBondContact O-CE 3.5Å; L1409-K1413 WeakPolarHBondContact O-CG 3.42Å; L1409-K1413 PolarHBondContact O-N 3.01Å; L1409-A1423 HydrophobicContact CD2-CB 4.29Å; L1409-V1460 HydrophobicContact CD1-CG1 4.14Å; L1409-V1460 HydrophobicContact CD2-CB 4.31Å; L1409-V1460 HydrophobicContact CD2-CG1 4.16Å; L1409-V1460 HydrophobicContact CG-CB 4.46Å; L1409-V1460 HydrophobicContact CG-CG1 3.77Å; L1409-Q1461 HydrophobicContact CD1-CB 4.41Å; L1409-Q1461 HydrophobicContact CD2-CB 4.18Å; L1409-L1464 HydrophobicContact CD1-CD2 3.54Å
1410Q92.8Very high91.7Very high74 Ų7451.3 Ų51.335%0.34624%0.241SC..Hα-helixtrans-78-34.9175.4-175.954.633.100112.1V1052 E1406 T1407 A1408 K1413 E1414V1052-Q1410 HydrophobicContact CB-CG 4.13Å; V1052-Q1410 HydrophobicContact CG1-CG 4.14Å; V1052-Q1410 HydrophobicContact CG2-CB 4.05Å; V1052-Q1410 HydrophobicContact CG2-CG 3.91Å; E1406-Q1410 VanDerWaalsContact O-CB 3.32Å; E1406-Q1410 WeakPolarHBondContact O-CB 3.4Å; E1406-Q1410 PolarHBondContact O-N 3.16Å; T1407-Q1410 CarbonylContact O-C 3.54Å; T1407-Q1410 PolarHBondContact O-N 3.28Å; A1408-Q1410 VanDerWaalsContact C-N 3.27Å; A1408-Q1410 PolarHBondContact O-N 3.02Å; Q1410-K1413 WeakPolarHBondContact O-CB 3.12Å; Q1410-K1413 PolarHBondContact O-N 2.7Å; Q1410-K1413 VanDerWaalsContact O-N 3.16Å; Q1410-E1414 PolarHBondContact O-N 3.05Å
1411Y94.1Very high91.8Very high0 Ų050.6 Ų50.60%024%0.239CC..Hα-helixtrans-60-48.5171.7-179.9-92.8000111.1V1052 L1055 F1056 R1328 F1330 L1374 D1376 V1381 T1407 A1408 K1413 E1414 R1415V1052-Y1411 VanDerWaalsContact CG1-CA 3.46Å; L1055-Y1411 HydrophobicContact CD2-CD2 3.9Å; L1055-Y1411 HydrophobicContact CD2-CE2 4.39Å; L1055-Y1411 HydrophobicContact CG-CD2 4.47Å; F1056-Y1411 HydrophobicContact CB-CD2 4.19Å; F1056-Y1411 HydrophobicContact CB-CE2 3.94Å; F1056-Y1411 AromaticContact CD2-CE2 3.94Å; F1056-Y1411 HydrophobicContact CD2-CE2 3.94Å; F1056-Y1411 HydrophobicContact CG-CE2 4.45Å; R1328-Y1411 PolarHBondContact NH1-OH 2.84Å; F1330-Y1411 HydrophobicContact CE2-CE2 4.29Å; F1330-Y1411 HydrophobicContact CZ-CE2 4.15Å; L1374-Y1411 HydrophobicContact CD1-CG 4.44Å; L1374-Y1411 HydrophobicContact CD2-CD1 4.2Å; L1374-Y1411 HydrophobicContact CD2-CE1 4.27Å; D1376-Y1411 HydrophobicContact CB-CE1 3.86Å; D1376-Y1411 WeakPolarHBondContact OD2-CE1 3.48Å; D1376-Y1411 PolarHBondContact OD2-OH 3.31Å; V1381-Y1411 HydrophobicContact CG2-CD1 4.41Å; V1381-Y1411 HydrophobicContact CG2-CE1 4.43Å; T1407-Y1411 WeakPolarHBondContact O-CB 3.43Å; T1407-Y1411 PolarHBondContact O-N 2.86Å; A1408-Y1411 PolarHBondContact O-N 3.05Å; Y1411-K1413 VanDerWaalsContact C-N 3.25Å; Y1411-K1413 PolarHBondContact O-N 3.49Å; Y1411-E1414 PolarHBondContact O-N 2.99Å; Y1411-R1415 WeakPolarHBondContact O-CB 3.49Å; Y1411-R1415 PolarHBondContact O-N 3.38Å
1412C93.4Very high91.8Very high3 Ų354.4 Ų54.42%0.0226%0.259CS..Hα-helixtrans-56.3-39.5173.7-63.30000112.3A1408 N1416 P1420 P1421A1408-C1412 PolarHBondContact O-N 2.82Å; A1408-C1412 PolarHBondContact O-SG 3.31Å; C1412-N1416 PolarHBondContact O-N 3.2Å; C1412-N1416 VanDerWaalsContact O-N 3.15Å; C1412-P1420 HydrophobicContact CB-CB 3.92Å; C1412-P1420 WeakPolarHBondContact O-CA 3.48Å; C1412-P1420 WeakPolarHBondContact O-CB 3.49Å; C1412-P1421 HydrophobicContact CB-CG 3.9Å; C1412-P1421 WeakPolarHBondContact O-CD 3.38Å; C1412-P1421 PolarHBondContact SG-O 3.05Å
1413K92.4Very high92.1Very high94 Ų9451.4 Ų51.441%0.40925%0.247SC..Hα-helixtrans-69-44.9178.5-69.6161.6-158.4153.50112.7L1409 Q1410 Y1411 N1416 P1417 P1420L1409-K1413 VanDerWaalsContact O-CD 3.28Å; L1409-K1413 WeakPolarHBondContact O-CD 3.44Å; L1409-K1413 VanDerWaalsContact O-CE 3.23Å; L1409-K1413 WeakPolarHBondContact O-CE 3.5Å; L1409-K1413 WeakPolarHBondContact O-CG 3.42Å; L1409-K1413 PolarHBondContact O-N 3.01Å; Q1410-K1413 WeakPolarHBondContact O-CB 3.12Å; Q1410-K1413 PolarHBondContact O-N 2.7Å; Q1410-K1413 VanDerWaalsContact O-N 3.16Å; Y1411-K1413 VanDerWaalsContact C-N 3.25Å; Y1411-K1413 PolarHBondContact O-N 3.49Å; K1413-N1416 CarbonylContact O-C 3.58Å; K1413-P1417 WeakPolarHBondContact O-CA 3.06Å; K1413-P1417 WeakPolarHBondContact O-CD 3.42Å; K1413-P1417 VanDerWaalsContact O-CG 3.24Å; K1413-P1417 WeakPolarHBondContact O-CG 3.43Å; K1413-P1420 HydrophobicContact CG-CG 4.25Å
1414E91.4Very high92.3Very high56 Ų5652.1 Ų52.126%0.26225%0.249SC..Hα-helixtrans-69.2-40.2179.5-160.773.4-170.600110.7V1052 R1053 F1056 Q1410 Y1411 N1416 P1417V1052-E1414 HydrophobicContact CG1-CB 3.95Å; R1053-E1414 HydrophobicContact CG-CG 4.21Å; R1053-E1414 IonicContact CZ-OE1 3.57Å; R1053-E1414 IonicContact NE-OE1 3.49Å; R1053-E1414 PolarHBondContact NE-OE1 3.04Å; R1053-E1414 IonicContact NH2-OE1 3.64Å; R1053-E1414 IonicContact NH2-OE2 2.7Å; F1056-E1414 HydrophobicContact CD1-CG 4.41Å; Q1410-E1414 PolarHBondContact O-N 3.05Å; Y1411-E1414 PolarHBondContact O-N 2.99Å; E1414-N1416 PolarHBondContact O-N 3.19Å; E1414-P1417 WeakPolarHBondContact O-CD 3.41Å
1415R88.1Confident92.3Very high42 Ų4253 Ų5316%0.15825%0.253CS..Hα-helixtrans-63.2-37.1178.5177.9160.1176.3-89.6-36113.6F1056 D1376 Y1378 Y1411F1056-R1415 HydrophobicContact CD2-CB 3.81Å; F1056-R1415 HydrophobicContact CD2-CG 4.11Å; F1056-R1415 HydrophobicContact CE2-CB 3.62Å; F1056-R1415 HydrophobicContact CE2-CG 3.5Å; F1056-R1415 HydrophobicContact CZ-CB 4.22Å; F1056-R1415 HydrophobicContact CZ-CG 4.16Å; D1376-R1415 IonicContact OD1-CZ 3.25Å; D1376-R1415 VanDerWaalsContact OD1-CZ 3.25Å; D1376-R1415 IonicContact OD1-NE 3.28Å; D1376-R1415 PolarHBondContact OD1-NE 3.37Å; D1376-R1415 IonicContact OD1-NH1 2.81Å; D1376-R1415 PolarHBondContact OD1-NH1 2.95Å; D1376-R1415 WeakPolarHBondContact OD2-CD 3.47Å; D1376-R1415 IonicContact OD2-CZ 2.95Å; D1376-R1415 IonicContact OD2-NE 2.69Å; D1376-R1415 PolarHBondContact OD2-NE 3.36Å; D1376-R1415 IonicContact OD2-NH1 2.71Å; Y1378-R1415 PolarHBondContact O-NH1 3.48Å; Y1378-R1415 PolarHBondContact O-NH2 2.94Å; Y1411-R1415 WeakPolarHBondContact O-CB 3.49Å; Y1411-R1415 PolarHBondContact O-N 3.38Å
1416N88.4Confident92.1Very high66 Ų6653.1 Ų53.135%0.35325%0.254SS..  trans-148.688.8169.4-173.2-11.2000112.8C1412 K1413 E1414 R1418 R1419 P1420C1412-N1416 PolarHBondContact O-N 3.2Å; C1412-N1416 VanDerWaalsContact O-N 3.15Å; K1413-N1416 CarbonylContact O-C 3.58Å; E1414-N1416 PolarHBondContact O-N 3.19Å; N1416-R1418 PolarHBondContact O-N 3.15Å; N1416-R1418 PolarHBondContact OD1-N 3.13Å; N1416-R1419 VanDerWaalsContact CB-O 3.28Å; N1416-R1419 WeakPolarHBondContact CB-O 3.46Å; N1416-R1419 PolarHBondContact ND2-O 3.39Å; N1416-R1419 CarbonylContact O-C 3.56Å; N1416-R1419 VanDerWaalsContact O-C 3.24Å; N1416-R1419 PolarHBondContact O-N 3.34Å; N1416-R1419 VanDerWaalsContact O-N 3.15Å; N1416-R1419 PolarHBondContact OD1-N 3.42Å; N1416-P1420 WeakPolarHBondContact O-CD 3.49Å; N1416-P1420 VanDerWaalsContact O-N 3.08Å
1417P89.3Confident91.8Very high106 Ų10651.1 Ų51.169%0.68825%0.246SC*.THydrogen-bonded Turntrans-65.40.2-176.5-21.831.4000115.9K1413 E1414K1413-P1417 WeakPolarHBondContact O-CA 3.06Å; K1413-P1417 WeakPolarHBondContact O-CD 3.42Å; K1413-P1417 VanDerWaalsContact O-CG 3.24Å; K1413-P1417 WeakPolarHBondContact O-CG 3.43Å; E1414-P1417 WeakPolarHBondContact O-CD 3.41Å
1418R89.1Confident91.6Very high204 Ų20453.3 Ų53.377%0.7726%0.255SS*.THydrogen-bonded Turntrans-111.1-24.6178.3-67179.1177.3156.52.6113.8N1416N1416-R1418 PolarHBondContact O-N 3.15Å; N1416-R1418 PolarHBondContact OD1-N 3.13Å
1419R88.5Confident91.1Very high129 Ų12955.9 Ų55.949%0.48728%0.281SS..SBendtrans-156.780.9176.8-74.2-172.2-178.7170.1-3.7107.3P195 N1416P195-R1419 VanDerWaalsContact CD-NH2 3.34Å; N1416-R1419 VanDerWaalsContact CB-O 3.28Å; N1416-R1419 WeakPolarHBondContact CB-O 3.46Å; N1416-R1419 PolarHBondContact ND2-O 3.39Å; N1416-R1419 CarbonylContact O-C 3.56Å; N1416-R1419 VanDerWaalsContact O-C 3.24Å; N1416-R1419 PolarHBondContact O-N 3.34Å; N1416-R1419 VanDerWaalsContact O-N 3.15Å; N1416-R1419 PolarHBondContact OD1-N 3.42Å
1420P90Very high90.7Very high66 Ų6656 Ų5643%0.42929%0.286SS..PPolyproline II helixtrans-53.7138.4174.2-26.436.4000110C1412 K1413 N1416C1412-P1420 HydrophobicContact CB-CB 3.92Å; C1412-P1420 WeakPolarHBondContact O-CA 3.48Å; C1412-P1420 WeakPolarHBondContact O-CB 3.49Å; K1413-P1420 HydrophobicContact CG-CG 4.25Å; N1416-P1420 WeakPolarHBondContact O-CD 3.49Å; N1416-P1420 VanDerWaalsContact O-N 3.08Å
1421P90.4Very high90.6Very high19 Ų1953.5 Ų53.512%0.12327%0.274CS..PPolyproline II helixtrans-61.1154168.728.7-35.3000109.9V1381 C1412V1381-P1421 HydrophobicContact CG2-CB 4.3Å; V1381-P1421 HydrophobicContact CG2-CG 3.88Å; C1412-P1421 HydrophobicContact CB-CG 3.9Å; C1412-P1421 WeakPolarHBondContact O-CD 3.38Å; C1412-P1421 PolarHBondContact SG-O 3.05Å
1422I91.6Very high90.4Very high84 Ų8454.5 Ų54.543%0.43128%0.28SS..EExtended strand (participates in β ladder)trans-72.1138.3177.8-55.2178.2000108.4V1381 Y1424 L1459V1381-I1422 PolarHBondContact N-O 2.94Å; I1422-Y1424 HydrophobicContact CB-CE2 4Å; I1422-Y1424 HydrophobicContact CG2-CD2 4.22Å; I1422-Y1424 HydrophobicContact CG2-CE1 3.97Å; I1422-Y1424 HydrophobicContact CG2-CE2 3.65Å; I1422-L1459 HydrophobicContact CG2-CD2 3.45Å; I1422-L1459 VanDerWaalsContact CG2-CD2 3.45Å
1423A95.3Very high90.3Very high8 Ų856.7 Ų56.77%0.06629%0.292CS..EExtended strand (participates in β ladder)trans-110.4123.3176.500000110.2V1381 L1409 V1460V1381-A1423 CarbonylContact O-C 3.54Å; V1381-A1423 VanDerWaalsContact O-CA 3.27Å; V1381-A1423 WeakPolarHBondContact O-CA 3.29Å; L1409-A1423 HydrophobicContact CD2-CB 4.29Å; A1423-V1460 HydrophobicContact CB-CB 3.87Å; A1423-V1460 HydrophobicContact CB-CG2 3.79Å; A1423-V1460 PolarHBondContact O-N 2.79Å
1424Y95.6Very high90.3Very high27 Ų2753.9 Ų53.911%0.10628%0.282CS..EExtended strand (participates in β ladder)trans-111.9139.5178.3-60.1-83.2000111.1E1380 V1381 Y1382 L1383 I1422 L1457 T1458 L1459E1380-Y1424 HydrophobicContact CB-CE2 4.31Å; V1381-Y1424 PolarHBondContact O-N 3.14Å; Y1382-Y1424 CarbonylContact C-O 3.58Å; Y1382-Y1424 WeakPolarHBondContact CA-O 3.48Å; Y1382-Y1424 HydrophobicContact CD1-CD2 4.27Å; Y1382-Y1424 HydrophobicContact CD1-CG 4.46Å; Y1382-Y1424 AromaticContact CE1-CD2 3.82Å; Y1382-Y1424 HydrophobicContact CE1-CD2 3.82Å; Y1382-Y1424 HydrophobicContact CE1-CG 4.19Å; L1383-Y1424 PolarHBondContact N-O 3.37Å; I1422-Y1424 HydrophobicContact CB-CE2 4Å; I1422-Y1424 HydrophobicContact CG2-CD2 4.22Å; I1422-Y1424 HydrophobicContact CG2-CE1 3.97Å; I1422-Y1424 HydrophobicContact CG2-CE2 3.65Å; Y1424-L1457 HydrophobicContact CD1-CB 4.1Å; Y1424-T1458 CarbonylContact C-O 3.54Å; Y1424-T1458 WeakPolarHBondContact CA-O 3.22Å; Y1424-L1459 HydrophobicContact CD1-CD2 3.79Å; Y1424-L1459 HydrophobicContact CE1-CD2 3.59Å
1425L94.2Very high90.4Very high17 Ų1751.2 Ų51.29%0.08927%0.27CS..EExtended strand (participates in β ladder)trans-88.6132.7167-176.469.7000108.5L1383 M1405 T1458 V1460 A1463L1383-L1425 HydrophobicContact CB-CD1 4.33Å; L1383-L1425 HydrophobicContact CD2-CD1 4.05Å; L1383-L1425 HydrophobicContact CG-CD1 4Å; L1383-L1425 WeakPolarHBondContact O-CA 3.49Å; M1405-L1425 HydrophobicContact CE-CD1 4.13Å; M1405-L1425 HydrophobicContact CE-CD2 3.78Å; L1425-T1458 PolarHBondContact N-O 2.81Å; L1425-V1460 HydrophobicContact CB-CG2 4.36Å; L1425-A1463 HydrophobicContact CD2-CB 3.76Å
1426I91.4Very high90.7Very high4 Ų449.8 Ų49.82%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-126.6137.4176.3-69.8168.9000108.5Y1382 L1383 W1384 Q1385 E1431 P1432 F1435 L1457Y1382-I1426 HydrophobicContact CD1-CD1 3.15Å; Y1382-I1426 HydrophobicContact CD1-CG1 4.03Å; Y1382-I1426 HydrophobicContact CE1-CD1 3.61Å; Y1382-I1426 HydrophobicContact CG-CD1 3.82Å; L1383-I1426 PolarHBondContact O-N 2.98Å; W1384-I1426 WeakPolarHBondContact CA-O 3.39Å; Q1385-I1426 PolarHBondContact N-O 2.63Å; I1426-E1431 HydrophobicContact CG2-CG 4.09Å; I1426-P1432 HydrophobicContact CD1-CG 3.98Å; I1426-F1435 HydrophobicContact CD1-CB 4.35Å; I1426-F1435 HydrophobicContact CD1-CD2 3.87Å; I1426-F1435 HydrophobicContact CD1-CE2 4.49Å; I1426-F1435 HydrophobicContact CD1-CG 4.28Å; I1426-L1457 HydrophobicContact CG1-CD2 4.09Å
1427D88.9Confident91Very high44 Ų4447.2 Ų47.224%0.23525%0.252CS..EExtended strand (participates in β ladder)trans-91.1147.1164.6-51.7-35.3000109.4Q1385 G1429 A1430 K1455Q1385-D1427 PolarHBondContact NE2-OD1 3.17Å; D1427-G1429 PolarHBondContact O-N 3.41Å; D1427-A1430 HydrophobicContact CB-CB 4.44Å; D1427-A1430 WeakPolarHBondContact O-CB 3.37Å; D1427-A1430 PolarHBondContact O-N 2.98Å; D1427-K1455 WeakPolarHBondContact OD2-CD 3.35Å; D1427-K1455 WeakPolarHBondContact OD2-CE 3.47Å; D1427-K1455 IonicContact OD2-NZ 2.88Å; D1427-K1455 PolarHBondContact OD2-NZ 2.92Å
1428E88.8Confident91.2Very high55 Ų5542.3 Ų42.326%0.25722%0.22SC..THydrogen-bonded Turntrans-40.4130.7161.9-179.9179.2-179.900111.8W1384 Q1385 S1386 C1387 A1430 E1431W1384-E1428 HydrophobicContact CH2-CB 4.47Å; W1384-E1428 HydrophobicContact CZ2-CB 3.8Å; W1384-E1428 HydrophobicContact CZ2-CG 4.01Å; Q1385-E1428 PolarHBondContact O-N 3.48Å; S1386-E1428 VanDerWaalsContact CA-OE2 3.25Å; S1386-E1428 WeakPolarHBondContact CA-OE2 3.34Å; S1386-E1428 WeakPolarHBondContact CB-OE2 3.24Å; C1387-E1428 PolarHBondContact N-OE2 3.16Å; E1428-A1430 VanDerWaalsContact C-N 3.27Å; E1428-A1430 PolarHBondContact O-N 2.93Å; E1428-E1431 WeakPolarHBondContact CA-OE1 3.09Å
1429G84.2Confident91.5Very high53 Ų5332.6 Ų32.655%0.54618%0.183SC..THydrogen-bonded Turntrans81.9-7.3-177.600000115.1D1427 E1431D1427-G1429 PolarHBondContact O-N 3.41Å; G1429-E1431 VanDerWaalsContact CA-OE2 3.23Å; G1429-E1431 WeakPolarHBondContact CA-OE2 3.45Å; G1429-E1431 PolarHBondContact N-OE1 2.94Å; G1429-E1431 VanDerWaalsContact N-OE1 3.08Å; G1429-E1431 PolarHBondContact N-OE2 3.03Å; G1429-E1431 VanDerWaalsContact N-OE2 3.11Å
1430A86Confident91.7Very high25 Ų2526.4 Ų26.421%0.20716%0.16CC..  trans-112.224.2179.600000113.7D1427 E1428 K1455D1427-A1430 HydrophobicContact CB-CB 4.44Å; D1427-A1430 WeakPolarHBondContact O-CB 3.37Å; D1427-A1430 PolarHBondContact O-N 2.98Å; E1428-A1430 VanDerWaalsContact C-N 3.27Å; E1428-A1430 PolarHBondContact O-N 2.93Å; A1430-K1455 HydrophobicContact CB-CD 4.19Å
1431E91Very high91.7Very high22 Ų2224.7 Ų24.710%0.10315%0.15CC..  trans-69.2133.4-177.1-59.877.8-173.900112.9W1384 I1426 E1428 G1429 F1435 T1436 W1442W1384-E1431 PolarHBondContact NE1-OE1 2.89Å; I1426-E1431 HydrophobicContact CG2-CG 4.09Å; E1428-E1431 WeakPolarHBondContact CA-OE1 3.09Å; G1429-E1431 VanDerWaalsContact CA-OE2 3.23Å; G1429-E1431 WeakPolarHBondContact CA-OE2 3.45Å; G1429-E1431 PolarHBondContact N-OE1 2.94Å; G1429-E1431 VanDerWaalsContact N-OE1 3.08Å; G1429-E1431 PolarHBondContact N-OE2 3.03Å; G1429-E1431 VanDerWaalsContact N-OE2 3.11Å; E1431-F1435 HydrophobicContact CB-CB 4.41Å; E1431-F1435 HydrophobicContact CB-CD1 3.82Å; E1431-F1435 HydrophobicContact CB-CE1 4.46Å; E1431-F1435 HydrophobicContact CB-CG 4.33Å; E1431-F1435 HydrophobicContact CG-CD1 3.58Å; E1431-F1435 HydrophobicContact CG-CE1 3.71Å; E1431-F1435 HydrophobicContact CG-CG 4.34Å; E1431-T1436 HydrophobicContact CB-CG2 3.64Å; E1431-W1442 HydrophobicContact CB-CZ2 4.43Å; E1431-W1442 HydrophobicContact CG-CH2 4.13Å; E1431-W1442 HydrophobicContact CG-CZ2 3.73Å
1432P91Very high91.8Very high20 Ų2025.9 Ų25.913%0.1315%0.152CC..  trans-77.4158.8170.433.9-34.3000111.2Y1382 I1426 T1434 F1435 T1436 L1457Y1382-P1432 HydrophobicContact CE1-CG 3.94Å; I1426-P1432 HydrophobicContact CD1-CG 3.98Å; P1432-T1434 PolarHBondContact O-N 2.94Å; P1432-T1434 VanDerWaalsContact O-N 3.12Å; P1432-F1435 HydrophobicContact CG-CB 3.97Å; P1432-F1435 WeakPolarHBondContact O-CA 3.25Å; P1432-F1435 VanDerWaalsContact O-CB 3.31Å; P1432-F1435 WeakPolarHBondContact O-CB 3.03Å; P1432-F1435 PolarHBondContact O-N 2.65Å; P1432-T1436 PolarHBondContact O-N 2.75Å; P1432-L1457 HydrophobicContact CB-CD1 4.31Å; P1432-L1457 HydrophobicContact CB-CD2 4.44Å; P1432-L1457 HydrophobicContact CG-CD1 4.41Å; P1432-L1457 HydrophobicContact CG-CD2 4.09Å
1433L90.9Very high91.4Very high49 Ų4924.5 Ų24.526%0.25714%0.143SC..Hα-helixtrans-56.8-31.8179.3-64171.6000113.5K1311 D1314 F1435 T1436 N1437K1311-L1433 WeakPolarHBondContact O-CD1 3.38Å; D1314-L1433 HydrophobicContact CB-CB 4.17Å; L1433-F1435 PolarHBondContact O-N 3.26Å; L1433-T1436 WeakPolarHBondContact CA-OG1 3.37Å; L1433-T1436 PolarHBondContact O-N 3.37Å; L1433-T1436 PolarHBondContact O-OG1 2.87Å; L1433-N1437 WeakPolarHBondContact O-CB 3.43Å; L1433-N1437 PolarHBondContact O-N 2.87Å
1434T91.8Very high90.4Very high35 Ų3531.6 Ų31.622%0.21518%0.177CC..Hα-helixtrans-65.8-20.4174.341.70000113.9N1377 E1380 Y1382 P1432N1377-T1434 PolarHBondContact ND2-O 2.94Å; N1377-T1434 VanDerWaalsContact ND2-O 3.11Å; E1380-T1434 WeakPolarHBondContact OE1-CB 3.3Å; Y1382-T1434 PolarHBondContact OH-OG1 3.14Å; P1432-T1434 PolarHBondContact O-N 2.94Å; P1432-T1434 VanDerWaalsContact O-N 3.12Å
1435F93.7Very high88.7Confident1 Ų134.5 Ų34.50%0.00420%0.198CC..Hα-helixtrans-88.5-54.8168.7-176.7-80.6000110.1L1364 L1375 Y1382 W1384 I1426 E1431 P1432 L1433 N1437 I1438 F1439 W1442L1364-F1435 HydrophobicContact CD1-CE1 4.34Å; L1364-F1435 HydrophobicContact CD1-CZ 4.37Å; L1375-F1435 HydrophobicContact CB-CE2 4.36Å; L1375-F1435 HydrophobicContact CD2-CD2 3.54Å; L1375-F1435 HydrophobicContact CD2-CE2 3.61Å; L1375-F1435 HydrophobicContact CD2-CG 4.23Å; L1375-F1435 HydrophobicContact CD2-CZ 4.35Å; Y1382-F1435 HydrophobicContact CD1-CD2 4.49Å; Y1382-F1435 HydrophobicContact CD2-CB 4.48Å; Y1382-F1435 AromaticContact CD2-CD2 3.87Å; Y1382-F1435 HydrophobicContact CD2-CD2 3.87Å; Y1382-F1435 HydrophobicContact CE2-CB 4.36Å; Y1382-F1435 AromaticContact CG-CD2 3.82Å; Y1382-F1435 HydrophobicContact CG-CD2 3.82Å; W1384-F1435 HydrophobicContact CB-CE2 3.99Å; W1384-F1435 HydrophobicContact CB-CZ 3.98Å; W1384-F1435 AromaticContact CD1-CZ 3.53Å; W1384-F1435 HydrophobicContact CG-CE2 4.32Å; W1384-F1435 AromaticContact CG-CZ 3.87Å; W1384-F1435 HydrophobicContact CG-CZ 3.87Å; I1426-F1435 HydrophobicContact CD1-CB 4.35Å; I1426-F1435 HydrophobicContact CD1-CD2 3.87Å; I1426-F1435 HydrophobicContact CD1-CE2 4.49Å; I1426-F1435 HydrophobicContact CD1-CG 4.28Å; E1431-F1435 HydrophobicContact CB-CB 4.41Å; E1431-F1435 HydrophobicContact CB-CD1 3.82Å; E1431-F1435 HydrophobicContact CB-CE1 4.46Å; E1431-F1435 HydrophobicContact CB-CG 4.33Å; E1431-F1435 HydrophobicContact CG-CD1 3.58Å; E1431-F1435 HydrophobicContact CG-CE1 3.71Å; E1431-F1435 HydrophobicContact CG-CG 4.34Å; P1432-F1435 HydrophobicContact CG-CB 3.97Å; P1432-F1435 WeakPolarHBondContact O-CA 3.25Å; P1432-F1435 VanDerWaalsContact O-CB 3.31Å; P1432-F1435 WeakPolarHBondContact O-CB 3.03Å; P1432-F1435 PolarHBondContact O-N 2.65Å; L1433-F1435 PolarHBondContact O-N 3.26Å; F1435-N1437 VanDerWaalsContact C-N 3.26Å; F1435-N1437 PolarHBondContact O-N 3.2Å; F1435-I1438 WeakPolarHBondContact O-CG1 3.47Å; F1435-I1438 PolarHBondContact O-N 3.21Å; F1435-F1439 AromaticContact CD1-CE2 4Å; F1435-F1439 HydrophobicContact CD1-CE2 4Å; F1435-F1439 AromaticContact CE1-CE2 3.7Å; F1435-F1439 HydrophobicContact CE1-CE2 3.7Å; F1435-F1439 HydrophobicContact CE1-CZ 4.27Å; F1435-F1439 HydrophobicContact CZ-CE2 4.34Å; F1435-W1442 HydrophobicContact CD1-CH2 4.33Å; F1435-W1442 HydrophobicContact CD1-CZ3 4.47Å; F1435-W1442 AromaticContact CE1-CH2 3.77Å; F1435-W1442 HydrophobicContact CE1-CH2 3.77Å; F1435-W1442 HydrophobicContact CE1-CZ3 4.04Å
1436T94.4Very high86.2Confident12 Ų1243 Ų437%0.07424%0.237CC..Hα-helixtrans-62.7-30.1-174.264.40000113.2E1431 P1432 L1433 I1438 F1439 W1442E1431-T1436 HydrophobicContact CB-CG2 3.64Å; P1432-T1436 PolarHBondContact O-N 2.75Å; L1433-T1436 WeakPolarHBondContact CA-OG1 3.37Å; L1433-T1436 PolarHBondContact O-N 3.37Å; L1433-T1436 PolarHBondContact O-OG1 2.87Å; T1436-I1438 VanDerWaalsContact C-N 3.29Å; T1436-I1438 PolarHBondContact O-N 3.18Å; T1436-F1439 PolarHBondContact O-N 3.12Å; T1436-W1442 HydrophobicContact CG2-CD2 3.72Å; T1436-W1442 HydrophobicContact CG2-CE3 4.37Å; T1436-W1442 HydrophobicContact CG2-CG 3.78Å; T1436-W1442 HydrophobicContact CG2-CZ2 4.39Å
1437N94.5Very high83.9Confident11 Ų1146.3 Ų46.36%0.05927%0.272CS..THydrogen-bonded Turntrans-82.55.3-178.9-76.422.6000115.2L1232 R1233 D1314 L1433 F1435 F1439L1232-N1437 PolarHBondContact O-ND2 3Å; R1233-N1437 PolarHBondContact NH1-OD1 3.07Å; D1314-N1437 HydrophobicContact CB-CB 4Å; D1314-N1437 PolarHBondContact N-ND2 2.86Å; L1433-N1437 WeakPolarHBondContact O-CB 3.43Å; L1433-N1437 PolarHBondContact O-N 2.87Å; F1435-N1437 VanDerWaalsContact C-N 3.26Å; F1435-N1437 PolarHBondContact O-N 3.2Å; N1437-F1439 VanDerWaalsContact C-N 3.29Å
1438I94.1Very high81.5Confident3 Ų349.8 Ų49.82%0.01529%0.287CS..THydrogen-bonded Turntrans-84.7-6.2161.872.9110.2000112.5P1327 M1357 F1359 L1375 F1435 T1436P1327-I1438 HydrophobicContact CG-CB 4.35Å; P1327-I1438 HydrophobicContact CG-CG2 4.27Å; M1357-I1438 VanDerWaalsContact CA-O 3.23Å; M1357-I1438 WeakPolarHBondContact CA-O 3.39Å; M1357-I1438 WeakPolarHBondContact CB-O 3.27Å; F1359-I1438 HydrophobicContact CD2-CD1 4.16Å; L1375-I1438 HydrophobicContact CD1-CD1 3.69Å; L1375-I1438 HydrophobicContact CD1-CG1 4.46Å; L1375-I1438 HydrophobicContact CD2-CD1 3.9Å; L1375-I1438 HydrophobicContact CD2-CG1 3.93Å; L1375-I1438 HydrophobicContact CG-CD1 4.47Å; F1435-I1438 WeakPolarHBondContact O-CG1 3.47Å; F1435-I1438 PolarHBondContact O-N 3.21Å; T1436-I1438 VanDerWaalsContact C-N 3.29Å; T1436-I1438 PolarHBondContact O-N 3.18Å
1439F94.8Very high79.1Confident0 Ų055.2 Ų55.20%031%0.312CS..SBendtrans-102.4142.8173.8-57.9-89.3000110.2R1233 F1359 L1360 L1364 F1435 T1436 N1437 S1441 W1442R1233-F1439 PolarHBondContact NE-O 3.23Å; R1233-F1439 PolarHBondContact NH2-O 2.87Å; F1359-F1439 HydrophobicContact CB-CD1 4.2Å; F1359-F1439 HydrophobicContact CB-CE1 3.94Å; F1359-F1439 WeakPolarHBondContact O-CD1 3.42Å; L1360-F1439 VanDerWaalsContact C-CD1 3.48Å; L1364-F1439 HydrophobicContact CD1-CZ 4.18Å; F1435-F1439 AromaticContact CD1-CE2 4Å; F1435-F1439 HydrophobicContact CD1-CE2 4Å; F1435-F1439 AromaticContact CE1-CE2 3.7Å; F1435-F1439 HydrophobicContact CE1-CE2 3.7Å; F1435-F1439 HydrophobicContact CE1-CZ 4.27Å; F1435-F1439 HydrophobicContact CZ-CE2 4.34Å; T1436-F1439 PolarHBondContact O-N 3.12Å; N1437-F1439 VanDerWaalsContact C-N 3.29Å; F1439-S1441 VanDerWaalsContact C-N 3.26Å; F1439-S1441 VanDerWaalsContact CB-O 3.22Å; F1439-S1441 WeakPolarHBondContact CB-O 3.33Å; F1439-S1441 PolarHBondContact O-N 2.82Å; F1439-W1442 HydrophobicContact CB-CE3 4.24Å; F1439-W1442 HydrophobicContact CD1-CZ3 4.5Å; F1439-W1442 AromaticContact CD2-CE3 3.58Å; F1439-W1442 HydrophobicContact CD2-CE3 3.58Å; F1439-W1442 AromaticContact CD2-CZ3 3.54Å; F1439-W1442 HydrophobicContact CD2-CZ3 3.54Å; F1439-W1442 HydrophobicContact CE1-CZ3 4.47Å; F1439-W1442 HydrophobicContact CE2-CE3 4.08Å; F1439-W1442 HydrophobicContact CE2-CH2 4.5Å; F1439-W1442 AromaticContact CE2-CZ3 3.53Å; F1439-W1442 HydrophobicContact CE2-CZ3 3.53Å; F1439-W1442 AromaticContact CG-CE3 3.93Å; F1439-W1442 HydrophobicContact CG-CE3 3.93Å; F1439-W1442 HydrophobicContact CG-CZ3 4.06Å; F1439-W1442 HydrophobicContact CZ-CZ3 4.02Å
1440P93.4Very high76.7Confident0 Ų060.7 Ų60.70%033%0.329CS..SBendtrans-57.3-37.8-179-25.734000113.8C1211 R1213 L1223 M1357 F1359 L1360C1211-P1440 HydrophobicContact CB-CB 4.44Å; R1213-P1440 HydrophobicContact CG-CG 4.5Å; L1223-P1440 HydrophobicContact CD2-CB 4.08Å; M1357-P1440 HydrophobicContact CB-CG 4.01Å; F1359-P1440 WeakPolarHBondContact O-CD 3.41Å; L1360-P1440 HydrophobicContact CD2-CG 3.96Å
1441S90.4Very high74.2Confident29 Ų2962.9 Ų62.920%0.20334%0.342CS..  trans-132.1163173.148.20000108.4F1439F1439-S1441 VanDerWaalsContact C-N 3.26Å; F1439-S1441 VanDerWaalsContact CB-O 3.22Å; F1439-S1441 WeakPolarHBondContact CB-O 3.33Å; F1439-S1441 PolarHBondContact O-N 2.82Å
1442W91.4Very high71.6Confident44 Ų4467.6 Ų67.617%0.16737%0.372CS..  trans-146.4128.4167.9-171.7-90000108.7Q1361 L1364 E1431 F1435 T1436 F1439Q1361-W1442 HydrophobicContact CB-CE3 3.96Å; Q1361-W1442 HydrophobicContact CB-CZ3 3.96Å; Q1361-W1442 HydrophobicContact CG-CD2 4.38Å; Q1361-W1442 HydrophobicContact CG-CE3 3.87Å; Q1361-W1442 HydrophobicContact CG-CH2 3.99Å; Q1361-W1442 HydrophobicContact CG-CZ2 4.47Å; Q1361-W1442 HydrophobicContact CG-CZ3 3.66Å; Q1361-W1442 VanDerWaalsContact OE1-CA 3.31Å; L1364-W1442 HydrophobicContact CD1-CH2 3.79Å; L1364-W1442 HydrophobicContact CD1-CZ3 4.09Å; E1431-W1442 HydrophobicContact CB-CZ2 4.43Å; E1431-W1442 HydrophobicContact CG-CH2 4.13Å; E1431-W1442 HydrophobicContact CG-CZ2 3.73Å; F1435-W1442 HydrophobicContact CD1-CH2 4.33Å; F1435-W1442 HydrophobicContact CD1-CZ3 4.47Å; F1435-W1442 AromaticContact CE1-CH2 3.77Å; F1435-W1442 HydrophobicContact CE1-CH2 3.77Å; F1435-W1442 HydrophobicContact CE1-CZ3 4.04Å; T1436-W1442 HydrophobicContact CG2-CD2 3.72Å; T1436-W1442 HydrophobicContact CG2-CE3 4.37Å; T1436-W1442 HydrophobicContact CG2-CG 3.78Å; T1436-W1442 HydrophobicContact CG2-CZ2 4.39Å; F1439-W1442 HydrophobicContact CB-CE3 4.24Å; F1439-W1442 HydrophobicContact CD1-CZ3 4.5Å; F1439-W1442 AromaticContact CD2-CE3 3.58Å; F1439-W1442 HydrophobicContact CD2-CE3 3.58Å; F1439-W1442 AromaticContact CD2-CZ3 3.54Å; F1439-W1442 HydrophobicContact CD2-CZ3 3.54Å; F1439-W1442 HydrophobicContact CE1-CZ3 4.47Å; F1439-W1442 HydrophobicContact CE2-CE3 4.08Å; F1439-W1442 HydrophobicContact CE2-CH2 4.5Å; F1439-W1442 AromaticContact CE2-CZ3 3.53Å; F1439-W1442 HydrophobicContact CE2-CZ3 3.53Å; F1439-W1442 AromaticContact CG-CE3 3.93Å; F1439-W1442 HydrophobicContact CG-CE3 3.93Å; F1439-W1442 HydrophobicContact CG-CZ3 4.06Å; F1439-W1442 HydrophobicContact CZ-CZ3 4.02Å
1443E84.4Confident69.1Low55 Ų5572.5 Ų72.526%0.25740%0.402SS..  trans-114.8128.7-175.5-61.1-172.6123.900109.3R1153 R1197 Q1361R1153-E1443 IonicContact CZ-OE2 3.33Å; R1153-E1443 VanDerWaalsContact CZ-OE2 3.29Å; R1153-E1443 IonicContact NH1-OE1 3.49Å; R1153-E1443 IonicContact NH1-OE2 3.61Å; R1153-E1443 PolarHBondContact NH1-OE2 2.99Å; R1153-E1443 IonicContact NH2-OE2 3.62Å; R1153-E1443 PolarHBondContact NH2-OE2 3.15Å; R1197-E1443 IonicContact CZ-OE1 3.39Å; R1197-E1443 IonicContact NH1-OE1 2.7Å; R1197-E1443 IonicContact NH2-OE1 2.76Å; R1197-E1443 PolarHBondContact NH2-OE1 2.81Å; Q1361-E1443 PolarHBondContact NE2-O 3.15Å
1444M73.9Confident66.9Low158 Ų15876.5 Ų76.578%0.77841%0.413SS*.  trans-86.4127.2177.5-71.8177.9169.500110.1Q1446M1444-Q1446 PolarHBondContact O-N 3.35Å
1445T60.4Low65.1Low87 Ų8780.3 Ų80.353%0.53443%0.427SS..  trans-65.6118.4-179.2-28.20000110.4G1447T1445-G1447 PolarHBondContact O-N 3.14Å
1446Q41.3Very low63.8Low197 Ų19789 Ų8992%0.92147%0.465SS*.THydrogen-bonded Turntrans-67.8109.3178.8-69.1-174.5-3.800110.2M1444M1444-Q1446 PolarHBondContact O-N 3.35Å
1447G42.3Very low63.2Low73 Ų7391 Ų9175%0.75348%0.475SS*.THydrogen-bonded Turntrans165.4-18.8-178.900000116T1445T1445-G1447 PolarHBondContact O-N 3.14Å
1448E39.4Very low62.9Low116 Ų11693.5 Ų93.554%0.54249%0.49SS..  trans-116.426.4-169.7-59.5-157.513600116D1450 C1451E1448-D1450 PolarHBondContact O-N 2.86Å; E1448-D1450 VanDerWaalsContact O-N 3.16Å; E1448-C1451 HydrophobicContact CB-CB 4.16Å; E1448-C1451 WeakPolarHBondContact O-CB 3.25Å; E1448-C1451 PolarHBondContact O-N 3.41Å
1449E37.4Very low62.9Low170 Ų17096.3 Ų96.379%0.79451%0.505SS*.G310 helixtrans-60.3-26.6177.9-65.1-161.3137.100113.6C1451 T1452E1449-C1451 VanDerWaalsContact C-N 3.28Å; E1449-C1451 PolarHBondContact O-N 3.24Å; E1449-T1452 VanDerWaalsContact O-CG2 3.32Å; E1449-T1452 WeakPolarHBondContact O-CG2 3.21Å; E1449-T1452 PolarHBondContact O-OG1 2.84Å
1450D34.7Very low62.8Low167 Ų16796.3 Ų96.389%0.89351%0.505SS*.G310 helixtrans-75.2-9.4172.8-99.6-20.1000113.7E1448 T1452E1448-D1450 PolarHBondContact O-N 2.86Å; E1448-D1450 VanDerWaalsContact O-N 3.16Å; D1450-T1452 PolarHBondContact O-N 3.45Å
1451C33.3Very low62.7Low71 Ų71101 Ų10148%0.4853%0.527SS..G310 helixtrans-88.324.9178.7-157.10000113.5E1448 E1449 V1453E1448-C1451 HydrophobicContact CB-CB 4.16Å; E1448-C1451 WeakPolarHBondContact O-CB 3.25Å; E1448-C1451 PolarHBondContact O-N 3.41Å; E1449-C1451 VanDerWaalsContact C-N 3.28Å; E1449-C1451 PolarHBondContact O-N 3.24Å; C1451-V1453 PolarHBondContact O-N 2.69Å
1452T35.2Very low62.8Low121 Ų121104 Ų10474%0.74254%0.541SS*.  trans-68.68.5-176.936.70000115.6E1449 D1450 R1454E1449-T1452 VanDerWaalsContact O-CG2 3.32Å; E1449-T1452 WeakPolarHBondContact O-CG2 3.21Å; E1449-T1452 PolarHBondContact O-OG1 2.84Å; D1450-T1452 PolarHBondContact O-N 3.45Å; T1452-R1454 PolarHBondContact O-N 3.41Å
1453V39.3Very low62.7Low123 Ų123102.4 Ų102.475%0.74554%0.537SS*.SBendtrans-76.988.7169.1-175.50000109.6C1451 K1455C1451-V1453 PolarHBondContact O-N 2.69Å; V1453-K1455 PolarHBondContact O-N 3.13Å
1454R44.6Very low63Low134 Ų134100.4 Ų100.451%0.50653%0.528SS..  trans-40.499.6178.3-67.7178-180169.4-2.5113C577 T1452 K1456C577-R1454 PolarHBondContact O-NH2 3.22Å; T1452-R1454 PolarHBondContact O-N 3.41Å; R1454-K1456 PolarHBondContact O-N 3.34Å
1455K54.7Low63.6Low115 Ų11595.6 Ų95.650%0.551%0.513SS..PPolyproline II helixtrans-62126.7168.6-70.2179.8-177.8172.80108.6D1427 A1430 V1453D1427-K1455 WeakPolarHBondContact OD2-CD 3.35Å; D1427-K1455 WeakPolarHBondContact OD2-CE 3.47Å; D1427-K1455 IonicContact OD2-NZ 2.88Å; D1427-K1455 PolarHBondContact OD2-NZ 2.92Å; A1430-K1455 HydrophobicContact CB-CD 4.19Å; V1453-K1455 PolarHBondContact O-N 3.13Å
1456K66.6Low64.7Low184 Ų18493.7 Ų93.780%0.851%0.506SS*.PPolyproline II helixtrans-72.7128173.6-178.8-175174.6-170.70108.5R1454 T1458R1454-K1456 PolarHBondContact O-N 3.34Å; K1456-T1458 PolarHBondContact O-N 3.02Å; K1456-T1458 VanDerWaalsContact O-N 3.09Å; K1456-T1458 PolarHBondContact O-OG1 2.95Å
1457L80.6Confident66.5Low53 Ų5385.2 Ų85.228%0.27747%0.467SS..PPolyproline II helixtrans-48.1119.7173-71.1175.9000110.1Y1424 I1426 P1432Y1424-L1457 HydrophobicContact CD1-CB 4.1Å; I1426-L1457 HydrophobicContact CG1-CD2 4.09Å; P1432-L1457 HydrophobicContact CB-CD1 4.31Å; P1432-L1457 HydrophobicContact CB-CD2 4.44Å; P1432-L1457 HydrophobicContact CG-CD1 4.41Å; P1432-L1457 HydrophobicContact CG-CD2 4.09Å
1458T88.6Confident68.4Low64 Ų6484.8 Ų84.839%0.39345%0.448SS..EExtended strand (participates in β ladder)trans-98.6134.3-173.7-67.60000109.3Y1424 L1425 K1456 A1463Y1424-T1458 CarbonylContact C-O 3.54Å; Y1424-T1458 WeakPolarHBondContact CA-O 3.22Å; L1425-T1458 PolarHBondContact N-O 2.81Å; K1456-T1458 PolarHBondContact O-N 3.02Å; K1456-T1458 VanDerWaalsContact O-N 3.09Å; K1456-T1458 PolarHBondContact O-OG1 2.95Å; T1458-A1463 HydrophobicContact CG2-CB 3.97Å
1459L93.6Very high70.3Confident61 Ų6183.5 Ų83.532%0.31944%0.44SS..EExtended strand (participates in β ladder)trans-72.3137175.2-63.9176.8000109.5I1422 Y1424 Q1461 D1462 A1463I1422-L1459 HydrophobicContact CG2-CD2 3.45Å; I1422-L1459 VanDerWaalsContact CG2-CD2 3.45Å; Y1424-L1459 HydrophobicContact CD1-CD2 3.79Å; Y1424-L1459 HydrophobicContact CE1-CD2 3.59Å; L1459-Q1461 PolarHBondContact O-N 3.06Å; L1459-Q1461 VanDerWaalsContact O-N 3.14Å; L1459-D1462 HydrophobicContact CB-CB 4.21Å; L1459-D1462 PolarHBondContact O-N 3.05Å; L1459-A1463 PolarHBondContact O-N 3.23Å
1460V93.1Very high72.2Confident0 Ų080.3 Ų80.30%043%0.432CS..Hα-helixtrans-55.4-33.7173.5172.90000110.9L1383 M1405 A1408 L1409 A1423 L1425 D1462 L1464L1383-V1460 HydrophobicContact CB-CG2 4.17Å; M1405-V1460 HydrophobicContact CB-CG1 3.61Å; M1405-V1460 HydrophobicContact CG-CG1 3.85Å; M1405-V1460 WeakPolarHBondContact O-CG1 3.5Å; A1408-V1460 HydrophobicContact CB-CG1 4.44Å; L1409-V1460 HydrophobicContact CD1-CG1 4.14Å; L1409-V1460 HydrophobicContact CD2-CB 4.31Å; L1409-V1460 HydrophobicContact CD2-CG1 4.16Å; L1409-V1460 HydrophobicContact CG-CB 4.46Å; L1409-V1460 HydrophobicContact CG-CG1 3.77Å; A1423-V1460 HydrophobicContact CB-CB 3.87Å; A1423-V1460 HydrophobicContact CB-CG2 3.79Å; A1423-V1460 PolarHBondContact O-N 2.79Å; L1425-V1460 HydrophobicContact CB-CG2 4.36Å; V1460-D1462 VanDerWaalsContact C-N 3.33Å; V1460-D1462 PolarHBondContact O-N 2.94Å; V1460-L1464 WeakPolarHBondContact O-CB 3.43Å; V1460-L1464 PolarHBondContact O-N 2.85Å
1461Q92.5Very high74.5Confident99 Ų9977.7 Ų77.746%0.46342%0.415SS..Hα-helixtrans-66.5-31.8176.1-175.25891.500113.3L1409 L1459 A1465L1409-Q1461 HydrophobicContact CD1-CB 4.41Å; L1409-Q1461 HydrophobicContact CD2-CB 4.18Å; L1459-Q1461 PolarHBondContact O-N 3.06Å; L1459-Q1461 VanDerWaalsContact O-N 3.14Å; Q1461-A1465 WeakPolarHBondContact O-CB 3.49Å; Q1461-A1465 PolarHBondContact O-N 2.91Å; Q1461-A1465 VanDerWaalsContact O-N 3.14Å
1462D91.3Very high76.8Confident93 Ų9375 Ų7550%0.49740%0.395SS..Hα-helixtrans-84.1-42.2-179.1-62.3-14.3000110.6L1459 V1460 A1465 A1466L1459-D1462 HydrophobicContact CB-CB 4.21Å; L1459-D1462 PolarHBondContact O-N 3.05Å; V1460-D1462 VanDerWaalsContact C-N 3.33Å; V1460-D1462 PolarHBondContact O-N 2.94Å; D1462-A1465 WeakPolarHBondContact O-CB 3.44Å; D1462-A1465 PolarHBondContact O-N 3.02Å; D1462-A1465 VanDerWaalsContact O-N 3.14Å; D1462-A1466 PolarHBondContact O-N 2.85Å
1463A88.9Confident79.2Confident9 Ų972 Ų727%0.07438%0.378CS..Hα-helixtrans-59.5-45.7171.700000111.3M1405 L1425 T1458 L1459 A1465 A1466 L1467M1405-A1463 HydrophobicContact CE-CB 3.96Å; M1405-A1463 HydrophobicContact SD-CB 3.81Å; L1425-A1463 HydrophobicContact CD2-CB 3.76Å; T1458-A1463 HydrophobicContact CG2-CB 3.97Å; L1459-A1463 PolarHBondContact O-N 3.23Å; A1463-A1465 VanDerWaalsContact C-N 3.28Å; A1463-A1465 PolarHBondContact O-N 3.02Å; A1463-A1466 WeakPolarHBondContact O-CB 3.3Å; A1463-A1466 PolarHBondContact O-N 3.21Å; A1463-A1466 VanDerWaalsContact O-N 3.14Å; A1463-L1467 PolarHBondContact O-N 3.14Å
1464L90.2Very high81.3Confident13 Ų1368.6 Ų68.67%0.06836%0.355CS..Hα-helixtrans-65.1-30.8175-176.264000112.3K1402 M1405 E1406 L1409 V1460 N1468K1402-L1464 HydrophobicContact CG-CD1 3.9Å; M1405-L1464 HydrophobicContact CB-CB 4.17Å; M1405-L1464 HydrophobicContact CB-CD1 4.06Å; M1405-L1464 HydrophobicContact CB-CD2 4.47Å; M1405-L1464 HydrophobicContact CB-CG 4.46Å; M1405-L1464 HydrophobicContact SD-CB 4.01Å; E1406-L1464 HydrophobicContact CG-CD1 3.93Å; E1406-L1464 HydrophobicContact CG-CD2 3.66Å; E1406-L1464 HydrophobicContact CG-CG 4.45Å; L1409-L1464 HydrophobicContact CD1-CD2 3.54Å; V1460-L1464 WeakPolarHBondContact O-CB 3.43Å; V1460-L1464 PolarHBondContact O-N 2.85Å; L1464-N1468 WeakPolarHBondContact CD1-ND2 3.32Å; L1464-N1468 WeakPolarHBondContact CG-ND2 3.35Å; L1464-N1468 VanDerWaalsContact O-CB 3.3Å; L1464-N1468 WeakPolarHBondContact O-CB 3.15Å; L1464-N1468 PolarHBondContact O-N 3.05Å; L1464-N1468 PolarHBondContact O-ND2 3.43Å
1465A87.2Confident83.2Confident58 Ų5869.4 Ų69.448%0.47936%0.364SS..Hα-helixtrans-72.2-33.6173.500000112.2Q1461 D1462 A1463 K1469Q1461-A1465 WeakPolarHBondContact O-CB 3.49Å; Q1461-A1465 PolarHBondContact O-N 2.91Å; Q1461-A1465 VanDerWaalsContact O-N 3.14Å; D1462-A1465 WeakPolarHBondContact O-CB 3.44Å; D1462-A1465 PolarHBondContact O-N 3.02Å; D1462-A1465 VanDerWaalsContact O-N 3.14Å; A1463-A1465 VanDerWaalsContact C-N 3.28Å; A1463-A1465 PolarHBondContact O-N 3.02Å; A1465-K1469 PolarHBondContact O-N 3.1Å
1466A83.9Confident84.6Confident46 Ų4665.8 Ų65.838%0.3835%0.351SS..Hα-helixtrans-67.3-49.5172.100000111.6D1462 A1463 N1468 K1469D1462-A1466 PolarHBondContact O-N 2.85Å; A1463-A1466 WeakPolarHBondContact O-CB 3.3Å; A1463-A1466 PolarHBondContact O-N 3.21Å; A1463-A1466 VanDerWaalsContact O-N 3.14Å; A1466-N1468 VanDerWaalsContact C-N 3.27Å; A1466-N1468 PolarHBondContact O-N 3.41Å; A1466-K1469 WeakPolarHBondContact O-CB 3.4Å; A1466-K1469 PolarHBondContact O-N 3.21Å
1467L79.5Confident85.4Confident19 Ų1957 Ų5710%0.09931%0.313CS..Hα-helixtrans-62.3-30.1176.7-69.9177.9000113.4M1405 A1463 K1469 E1484M1405-L1467 HydrophobicContact CE-CD1 3.6Å; M1405-L1467 HydrophobicContact SD-CD1 3.78Å; A1463-L1467 PolarHBondContact O-N 3.14Å; L1467-K1469 VanDerWaalsContact C-N 3.33Å; L1467-E1484 HydrophobicContact CD2-CB 4.17Å; L1467-E1484 HydrophobicContact CD2-CG 3.69Å
1468N81.6Confident85.5Confident65 Ų6558.3 Ų58.335%0.34832%0.319SS..THydrogen-bonded Turntrans-899.9175.3-76-67.1000114K1402 L1464 A1466 T1470K1402-N1468 WeakPolarHBondContact CE-OD1 3.15Å; K1402-N1468 PolarHBondContact NZ-OD1 2.93Å; L1464-N1468 WeakPolarHBondContact CD1-ND2 3.32Å; L1464-N1468 WeakPolarHBondContact CG-ND2 3.35Å; L1464-N1468 VanDerWaalsContact O-CB 3.3Å; L1464-N1468 WeakPolarHBondContact O-CB 3.15Å; L1464-N1468 PolarHBondContact O-N 3.05Å; L1464-N1468 PolarHBondContact O-ND2 3.43Å; A1466-N1468 VanDerWaalsContact C-N 3.27Å; A1466-N1468 PolarHBondContact O-N 3.41Å; N1468-T1470 PolarHBondContact O-N 3.34Å
1469K80.2Confident85.2Confident88 Ų8860.6 Ų60.638%0.38332%0.323SS..  trans-71.8101.4-179.3-176.5173.2166.7-1700110.8A1465 A1466 L1467 Q1471 F1472A1465-K1469 PolarHBondContact O-N 3.1Å; A1466-K1469 WeakPolarHBondContact O-CB 3.4Å; A1466-K1469 PolarHBondContact O-N 3.21Å; L1467-K1469 VanDerWaalsContact C-N 3.33Å; K1469-Q1471 VanDerWaalsContact C-N 3.29Å; K1469-Q1471 WeakPolarHBondContact CE-O 3.32Å; K1469-Q1471 WeakPolarHBondContact CG-O 3.17Å; K1469-Q1471 PolarHBondContact O-N 2.89Å; K1469-F1472 HydrophobicContact CB-CE2 3.96Å; K1469-F1472 HydrophobicContact CB-CZ 3.93Å; K1469-F1472 HydrophobicContact CD-CD1 4.11Å; K1469-F1472 HydrophobicContact CD-CD2 4.48Å; K1469-F1472 HydrophobicContact CD-CE1 3.65Å; K1469-F1472 HydrophobicContact CD-CE2 4.09Å; K1469-F1472 HydrophobicContact CD-CZ 3.66Å; K1469-F1472 HydrophobicContact CG-CD2 4.26Å; K1469-F1472 HydrophobicContact CG-CE1 4.34Å; K1469-F1472 HydrophobicContact CG-CE2 3.86Å; K1469-F1472 HydrophobicContact CG-CZ 3.9Å; K1469-F1472 WeakPolarHBondContact O-CE2 2.99Å
1470T77.5Confident84.6Confident103 Ų10362.9 Ų62.963%0.63233%0.328SS*.  trans-80.5-1.7-178.556.30000114.7N1468N1468-T1470 PolarHBondContact O-N 3.34Å
1471Q81.7Confident83.8Confident113 Ų11368.8 Ų68.853%0.52837%0.366SS..  trans-141125.6-179.9-66.2-174.811.300111.9K1469 Y1494K1469-Q1471 VanDerWaalsContact C-N 3.29Å; K1469-Q1471 WeakPolarHBondContact CE-O 3.32Å; K1469-Q1471 WeakPolarHBondContact CG-O 3.17Å; K1469-Q1471 PolarHBondContact O-N 2.89Å; Q1471-Y1494 CarbonylContact C-O 3.54Å; Q1471-Y1494 VanDerWaalsContact CA-O 3.32Å; Q1471-Y1494 WeakPolarHBondContact CA-O 3.26Å
1472F82.9Confident83Confident15 Ų1565.9 Ų65.97%0.06635%0.354CS..  trans-126.3146.8174.2-70.3-97.5000109.6K1469 D1476 L1477 P1483 V1486 Y1494K1469-F1472 HydrophobicContact CB-CE2 3.96Å; K1469-F1472 HydrophobicContact CB-CZ 3.93Å; K1469-F1472 HydrophobicContact CD-CD1 4.11Å; K1469-F1472 HydrophobicContact CD-CD2 4.48Å; K1469-F1472 HydrophobicContact CD-CE1 3.65Å; K1469-F1472 HydrophobicContact CD-CE2 4.09Å; K1469-F1472 HydrophobicContact CD-CZ 3.66Å; K1469-F1472 HydrophobicContact CG-CD2 4.26Å; K1469-F1472 HydrophobicContact CG-CE1 4.34Å; K1469-F1472 HydrophobicContact CG-CE2 3.86Å; K1469-F1472 HydrophobicContact CG-CZ 3.9Å; K1469-F1472 WeakPolarHBondContact O-CE2 2.99Å; F1472-D1476 HydrophobicContact CB-CB 4.47Å; F1472-D1476 HydrophobicContact CD1-CB 4.38Å; F1472-L1477 HydrophobicContact CB-CD1 4.24Å; F1472-L1477 HydrophobicContact CB-CD2 3.87Å; F1472-L1477 HydrophobicContact CB-CG 3.85Å; F1472-L1477 HydrophobicContact CD2-CD2 4.38Å; F1472-L1477 HydrophobicContact CG-CD2 4.25Å; F1472-P1483 HydrophobicContact CD1-CB 3.95Å; F1472-P1483 HydrophobicContact CD1-CG 3.81Å; F1472-P1483 HydrophobicContact CE1-CB 3.32Å; F1472-P1483 HydrophobicContact CE1-CG 3.74Å; F1472-P1483 HydrophobicContact CZ-CB 3.75Å; F1472-P1483 HydrophobicContact CZ-CG 4.43Å; F1472-V1486 HydrophobicContact CD2-CG2 3.84Å; F1472-V1486 HydrophobicContact CE1-CG2 4.38Å; F1472-V1486 HydrophobicContact CE2-CG2 3.37Å; F1472-V1486 HydrophobicContact CG-CG2 4.5Å; F1472-V1486 HydrophobicContact CZ-CG2 3.68Å; F1472-Y1494 AromaticContact CD2-CD1 3.86Å; F1472-Y1494 HydrophobicContact CD2-CD1 3.86Å; F1472-Y1494 HydrophobicContact CD2-CG 4.44Å; F1472-Y1494 AromaticContact CE2-CD1 3.92Å; F1472-Y1494 HydrophobicContact CE2-CD1 3.92Å; F1472-Y1494 HydrophobicContact CE2-CE1 4.42Å; F1472-Y1494 PolarHBondContact N-O 3.24Å
1473P84.9Confident82.3Confident57 Ų5763 Ų6337%0.3734%0.34SS..  trans-65.9148.5171.930.7-34.9000109.7Q1475 D1476 L1477P1473-Q1475 PolarHBondContact O-N 3.49Å; P1473-D1476 WeakPolarHBondContact CD-OD2 3.48Å; P1473-D1476 HydrophobicContact CG-CB 4.11Å; P1473-D1476 WeakPolarHBondContact CG-OD2 3.36Å; P1473-D1476 PolarHBondContact O-N 2.8Å; P1473-L1477 PolarHBondContact O-N 3.48Å
1474L83.4Confident81.4Confident51 Ų5166 Ų6627%0.26735%0.352SS..Hα-helixtrans-50.8-34.8180179.664.6000113D1476 L1477 L1478 L1495 A1503 L1528L1474-D1476 VanDerWaalsContact C-N 3.28Å; L1474-D1476 PolarHBondContact O-N 3.21Å; L1474-L1477 PolarHBondContact O-N 3.09Å; L1474-L1478 HydrophobicContact CD1-CD1 4.17Å; L1474-L1478 HydrophobicContact CD1-CG 4.34Å; L1474-L1478 HydrophobicContact CG-CD1 3.94Å; L1474-L1478 VanDerWaalsContact O-CG 3.29Å; L1474-L1478 WeakPolarHBondContact O-CG 3.36Å; L1474-L1478 PolarHBondContact O-N 2.64Å; L1474-L1495 HydrophobicContact CB-CD2 4.01Å; L1474-L1495 HydrophobicContact CD1-CD1 4.49Å; L1474-L1495 HydrophobicContact CD1-CD2 4Å; L1474-A1503 HydrophobicContact CD1-CB 3.92Å; L1474-A1503 HydrophobicContact CD2-CB 3.88Å; L1474-L1528 HydrophobicContact CD1-CD1 4.29Å; L1474-L1528 HydrophobicContact CD1-CD2 3.93Å; L1474-L1528 HydrophobicContact CD1-CG 4.39Å
1475Q84.5Confident80.4Confident152 Ų15266.1 Ų66.171%0.7136%0.357SS*.Hα-helixtrans-63.2-29178.2-61.3-178.210.100113.8P1473 K1479P1473-Q1475 PolarHBondContact O-N 3.49Å; Q1475-K1479 WeakPolarHBondContact O-CE 3.33Å; Q1475-K1479 WeakPolarHBondContact O-CG 3.23Å
1476D83.8Confident79.8Confident39 Ų3963.9 Ų63.921%0.20934%0.337CS..Hα-helixtrans-82.3-38.9178.6-71.4-17.8000111.5F1472 P1473 L1474 L1478 K1479 P1483F1472-D1476 HydrophobicContact CB-CB 4.47Å; F1472-D1476 HydrophobicContact CD1-CB 4.38Å; P1473-D1476 WeakPolarHBondContact CD-OD2 3.48Å; P1473-D1476 HydrophobicContact CG-CB 4.11Å; P1473-D1476 WeakPolarHBondContact CG-OD2 3.36Å; P1473-D1476 PolarHBondContact O-N 2.8Å; L1474-D1476 VanDerWaalsContact C-N 3.28Å; L1474-D1476 PolarHBondContact O-N 3.21Å; D1476-L1478 PolarHBondContact O-N 2.77Å; D1476-K1479 WeakPolarHBondContact O-CB 3.37Å; D1476-K1479 PolarHBondContact O-N 3.34Å; D1476-K1479 VanDerWaalsContact O-N 3.08Å; D1476-K1479 IonicContact OD1-NZ 3.49Å; D1476-K1479 PolarHBondContact OD1-NZ 3.1Å; D1476-P1483 HydrophobicContact CB-CG 4.19Å
1477L83.4Confident79.4Confident0 Ų064.5 Ų64.50%033%0.334CS..Hα-helixtrans-69-14.7177-60.5173000113.2F1472 P1473 L1474 R1480 L1482 V1486 L1491 L1495 L1528F1472-L1477 HydrophobicContact CB-CD1 4.24Å; F1472-L1477 HydrophobicContact CB-CD2 3.87Å; F1472-L1477 HydrophobicContact CB-CG 3.85Å; F1472-L1477 HydrophobicContact CD2-CD2 4.38Å; F1472-L1477 HydrophobicContact CG-CD2 4.25Å; P1473-L1477 PolarHBondContact O-N 3.48Å; L1474-L1477 PolarHBondContact O-N 3.09Å; L1477-R1480 PolarHBondContact O-NH1 3.21Å; L1477-L1482 WeakPolarHBondContact O-CD2 3.45Å; L1477-V1486 HydrophobicContact CD2-CG1 3.69Å; L1477-V1486 HydrophobicContact CD2-CG2 4.18Å; L1477-L1491 HydrophobicContact CD2-CD2 4.24Å; L1477-L1495 HydrophobicContact CD1-CD2 3.68Å; L1477-L1495 HydrophobicContact CD1-CG 3.88Å; L1477-L1528 HydrophobicContact CB-CD2 4.39Å
1478L83.4Confident79.2Confident79 Ų7965.8 Ų65.841%0.41434%0.344SS..THydrogen-bonded Turntrans-92.7-10.6172.6-68172.3000113.7L1474 D1476L1474-L1478 HydrophobicContact CD1-CD1 4.17Å; L1474-L1478 HydrophobicContact CD1-CG 4.34Å; L1474-L1478 HydrophobicContact CG-CD1 3.94Å; L1474-L1478 VanDerWaalsContact O-CG 3.29Å; L1474-L1478 WeakPolarHBondContact O-CG 3.36Å; L1474-L1478 PolarHBondContact O-N 2.64Å; D1476-L1478 PolarHBondContact O-N 2.77Å
1479K81.6Confident78.8Confident112 Ų11269.1 Ų69.149%0.48736%0.358SS..SBendtrans-75.7154.2174.8-71.3165.4-166.3167.90111.1Q1475 D1476 P1481Q1475-K1479 WeakPolarHBondContact O-CE 3.33Å; Q1475-K1479 WeakPolarHBondContact O-CG 3.23Å; D1476-K1479 WeakPolarHBondContact O-CB 3.37Å; D1476-K1479 PolarHBondContact O-N 3.34Å; D1476-K1479 VanDerWaalsContact O-N 3.08Å; D1476-K1479 IonicContact OD1-NZ 3.49Å; D1476-K1479 PolarHBondContact OD1-NZ 3.1Å; K1479-P1481 CarbonylContact C-O 3.5Å
1480R81.4Confident78.8Confident110 Ų11068.4 Ų68.442%0.41536%0.355SS..SBendtrans-131.1126.2172.8-58.7-63.7176.8-102.44.1107.6L1477 G1527L1477-R1480 PolarHBondContact O-NH1 3.21Å; R1480-G1527 PolarHBondContact NH2-O 2.7Å
1481P75.2Confident79.2Confident123 Ų12363.5 Ų63.580%0.79933%0.325SS*.SBendcis-59159.4-3.428.1-36.3000113.2K1479K1479-P1481 CarbonylContact C-O 3.5Å
1482L76.8Confident79.3Confident38 Ų3858.7 Ų58.720%0.19930%0.303CS..PPolyproline II helixtrans-70.1160.1172.2-82.5172.7000110.7L1477 V1486 P1488 L1491 L1530L1477-L1482 WeakPolarHBondContact O-CD2 3.45Å; L1482-V1486 HydrophobicContact CD1-CG1 4.33Å; L1482-V1486 HydrophobicContact CD2-CG1 4.33Å; L1482-P1488 HydrophobicContact CD1-CB 3.85Å; L1482-L1491 HydrophobicContact CD1-CD2 3.89Å; L1482-L1491 HydrophobicContact CD2-CD2 3.81Å; L1482-L1530 HydrophobicContact CD1-CD1 3.56Å; L1482-L1530 HydrophobicContact CG-CD1 4.21Å
1483P76.2Confident79.4Confident33 Ų3362.1 Ų62.121%0.21432%0.322CS..PPolyproline II helixtrans-61148.1167.3-1730.4000111.9F1472 D1476 V1486F1472-P1483 HydrophobicContact CD1-CB 3.95Å; F1472-P1483 HydrophobicContact CD1-CG 3.81Å; F1472-P1483 HydrophobicContact CE1-CB 3.32Å; F1472-P1483 HydrophobicContact CE1-CG 3.74Å; F1472-P1483 HydrophobicContact CZ-CB 3.75Å; F1472-P1483 HydrophobicContact CZ-CG 4.43Å; D1476-P1483 HydrophobicContact CB-CG 4.19Å; P1483-V1486 HydrophobicContact CB-CG2 3.86Å; P1483-V1486 HydrophobicContact CG-CG2 4.18Å; P1483-V1486 WeakPolarHBondContact O-CB 3.37Å; P1483-V1486 WeakPolarHBondContact O-CG2 3.47Å; P1483-V1486 PolarHBondContact O-N 2.88Å
1484E69.7Low79.4Confident71 Ų7161.3 Ų61.333%0.33231%0.312SS..THydrogen-bonded Turntrans-61.2140.9179.6-150.7-173.6173.200111.7K1401 L1467 V1486K1401-E1484 WeakPolarHBondContact CE-OE1 3.44Å; K1401-E1484 IonicContact NZ-OE1 2.67Å; K1401-E1484 PolarHBondContact NZ-OE1 3.02Å; L1467-E1484 HydrophobicContact CD2-CB 4.17Å; L1467-E1484 HydrophobicContact CD2-CG 3.69Å; E1484-V1486 VanDerWaalsContact C-N 3.26Å; E1484-V1486 PolarHBondContact O-N 2.89Å
1485G68.8Low79.6Confident17 Ų1759.5 Ų59.518%0.17530%0.302CS..THydrogen-bonded Turntrans74.84.8-17700000115.9Y1494G1485-Y1494 PolarHBondContact O-OH 2.89Å
1486V75.6Confident79.7Confident10 Ų1053.2 Ų53.26%0.06128%0.275CS..  trans-88.6116.5174.3177.20000111F1472 L1477 L1482 P1483 E1484 P1488 L1491 Y1494F1472-V1486 HydrophobicContact CD2-CG2 3.84Å; F1472-V1486 HydrophobicContact CE1-CG2 4.38Å; F1472-V1486 HydrophobicContact CE2-CG2 3.37Å; F1472-V1486 HydrophobicContact CG-CG2 4.5Å; F1472-V1486 HydrophobicContact CZ-CG2 3.68Å; L1477-V1486 HydrophobicContact CD2-CG1 3.69Å; L1477-V1486 HydrophobicContact CD2-CG2 4.18Å; L1482-V1486 HydrophobicContact CD1-CG1 4.33Å; L1482-V1486 HydrophobicContact CD2-CG1 4.33Å; P1483-V1486 HydrophobicContact CB-CG2 3.86Å; P1483-V1486 HydrophobicContact CG-CG2 4.18Å; P1483-V1486 WeakPolarHBondContact O-CB 3.37Å; P1483-V1486 WeakPolarHBondContact O-CG2 3.47Å; P1483-V1486 PolarHBondContact O-N 2.88Å; E1484-V1486 VanDerWaalsContact C-N 3.26Å; E1484-V1486 PolarHBondContact O-N 2.89Å; V1486-P1488 WeakPolarHBondContact O-CD 3.34Å; V1486-L1491 HydrophobicContact CG1-CD2 3.39Å; V1486-Y1494 HydrophobicContact CB-CE1 4.44Å; V1486-Y1494 HydrophobicContact CG1-CD2 4.09Å; V1486-Y1494 HydrophobicContact CG1-CE2 4.14Å; V1486-Y1494 HydrophobicContact CG1-CG 4.3Å; V1486-Y1494 HydrophobicContact CG2-CD1 4.14Å; V1486-Y1494 HydrophobicContact CG2-CE1 4.15Å
1487D74.7Confident79.8Confident59 Ų5959.1 Ų59.132%0.31630%0.301SS..  trans-65.7115.4173.4-176.5-18.6000110.9Q1489 H1490 L1491 Y1494D1487-Q1489 PolarHBondContact O-N 2.67Å; D1487-Q1489 WeakPolarHBondContact OD1-CB 3.33Å; D1487-Q1489 PolarHBondContact OD1-N 2.74Å; D1487-H1490 HydrophobicContact CB-CB 4.21Å; D1487-H1490 PolarHBondContact O-N 3.24Å; D1487-H1490 VanDerWaalsContact O-N 3.13Å; D1487-H1490 IonicContact OD2-CD2 3.43Å; D1487-H1490 PolarHBondContact OD2-CD2 3.46Å; D1487-L1491 PolarHBondContact O-N 2.68Å; D1487-Y1494 HydrophobicContact CB-CE2 4.02Å; D1487-Y1494 PolarHBondContact N-OH 3.43Å
1488P76.5Confident79.9Confident46 Ų4665.7 Ų65.730%0.29933%0.332SS..THydrogen-bonded Turntrans-66.2-20.6-178.328.3-35.6000113.6L1482 V1486 L1530L1482-P1488 HydrophobicContact CD1-CB 3.85Å; V1486-P1488 WeakPolarHBondContact O-CD 3.34Å; P1488-L1530 HydrophobicContact CB-CB 4.29Å; P1488-L1530 HydrophobicContact CB-CD1 3.65Å
1489Q73.3Confident80Confident136 Ų13664.1 Ų64.164%0.63632%0.324SS*.THydrogen-bonded Turntrans-82-19.7177.9-54.8-171.6-0.100112D1487 K1523D1487-Q1489 PolarHBondContact O-N 2.67Å; D1487-Q1489 WeakPolarHBondContact OD1-CB 3.33Å; D1487-Q1489 PolarHBondContact OD1-N 2.74Å; Q1489-K1523 PolarHBondContact O-NZ 3.23Å
1490H80.6Confident80.4Confident73 Ų7359 Ų5934%0.33830%0.301SS..  trans-131.534.3-166.2-78.8-61.1000114.7D1487 E1492 N1493 Y1494D1487-H1490 HydrophobicContact CB-CB 4.21Å; D1487-H1490 PolarHBondContact O-N 3.24Å; D1487-H1490 VanDerWaalsContact O-N 3.13Å; D1487-H1490 IonicContact OD2-CD2 3.43Å; D1487-H1490 PolarHBondContact OD2-CD2 3.46Å; H1490-E1492 WeakPolarHBondContact CA-OE2 3.5Å; H1490-E1492 IonicContact CE1-OE1 3.62Å; H1490-E1492 IonicContact CG-OE1 3.74Å; H1490-E1492 IonicContact ND1-OE1 3.25Å; H1490-E1492 PolarHBondContact ND1-OE1 3.42Å; H1490-E1492 PolarHBondContact O-N 3.08Å; H1490-N1493 WeakPolarHBondContact O-CB 3.38Å; H1490-N1493 PolarHBondContact O-N 3.32Å; H1490-Y1494 WeakPolarHBondContact O-CD2 3.48Å
1491L84Confident80.8Confident0 Ų059.8 Ų59.80%031%0.308CS..G310 helixtrans-50.8-29.6178.7-59.7-179.4000114.2L1477 L1482 V1486 D1487 N1493 Y1494 L1528L1477-L1491 HydrophobicContact CD2-CD2 4.24Å; L1482-L1491 HydrophobicContact CD1-CD2 3.89Å; L1482-L1491 HydrophobicContact CD2-CD2 3.81Å; V1486-L1491 HydrophobicContact CG1-CD2 3.39Å; D1487-L1491 PolarHBondContact O-N 2.68Å; L1491-N1493 VanDerWaalsContact C-N 3.26Å; L1491-N1493 PolarHBondContact O-N 3.27Å; L1491-Y1494 PolarHBondContact O-N 3.12Å; L1491-L1528 HydrophobicContact CB-CB 4.47Å; L1491-L1528 HydrophobicContact CB-CD2 4.03Å
1492E85.7Confident81.3Confident11 Ų1157.3 Ų57.35%0.05130%0.298CS..G310 helixtrans-62.1-28175.672.8-75.7-176.100114.2H1490 Y1494 F1500 L1504 Y1511 K1523H1490-E1492 WeakPolarHBondContact CA-OE2 3.5Å; H1490-E1492 IonicContact CE1-OE1 3.62Å; H1490-E1492 IonicContact CG-OE1 3.74Å; H1490-E1492 IonicContact ND1-OE1 3.25Å; H1490-E1492 PolarHBondContact ND1-OE1 3.42Å; H1490-E1492 PolarHBondContact O-N 3.08Å; E1492-Y1494 PolarHBondContact O-N 3.3Å; E1492-F1500 HydrophobicContact CB-CE2 4.1Å; E1492-L1504 HydrophobicContact CB-CD1 4.46Å; E1492-Y1511 HydrophobicContact CG-CE1 3.92Å; E1492-K1523 VanDerWaalsContact CD-CE 3.41Å; E1492-K1523 WeakPolarHBondContact OE1-CE 3.37Å; E1492-K1523 IonicContact OE1-NZ 3.02Å; E1492-K1523 PolarHBondContact OE1-NZ 3.46Å; E1492-K1523 WeakPolarHBondContact OE2-CE 3.39Å; E1492-K1523 IonicContact OE2-NZ 2.71Å; E1492-K1523 PolarHBondContact OE2-NZ 3.47Å
1493N84.8Confident81.7Confident87 Ų8755.9 Ų55.947%0.46529%0.291SS..G310 helixtrans-75-15.4179.4-70.1-26.8000112.6H1490 L1491H1490-N1493 WeakPolarHBondContact O-CB 3.38Å; H1490-N1493 PolarHBondContact O-N 3.32Å; L1491-N1493 VanDerWaalsContact C-N 3.26Å; L1491-N1493 PolarHBondContact O-N 3.27Å
1494Y85.1Confident82.2Confident41 Ų4154.6 Ų54.616%0.16128%0.283CS..G310 helixtrans-97.72.6-179.3-64.8-94.3000113.2Q1471 F1472 G1485 V1486 D1487 H1490 L1491 E1492Q1471-Y1494 CarbonylContact C-O 3.54Å; Q1471-Y1494 VanDerWaalsContact CA-O 3.32Å; Q1471-Y1494 WeakPolarHBondContact CA-O 3.26Å; F1472-Y1494 AromaticContact CD2-CD1 3.86Å; F1472-Y1494 HydrophobicContact CD2-CD1 3.86Å; F1472-Y1494 HydrophobicContact CD2-CG 4.44Å; F1472-Y1494 AromaticContact CE2-CD1 3.92Å; F1472-Y1494 HydrophobicContact CE2-CD1 3.92Å; F1472-Y1494 HydrophobicContact CE2-CE1 4.42Å; F1472-Y1494 PolarHBondContact N-O 3.24Å; G1485-Y1494 PolarHBondContact O-OH 2.89Å; V1486-Y1494 HydrophobicContact CB-CE1 4.44Å; V1486-Y1494 HydrophobicContact CG1-CD2 4.09Å; V1486-Y1494 HydrophobicContact CG1-CE2 4.14Å; V1486-Y1494 HydrophobicContact CG1-CG 4.3Å; V1486-Y1494 HydrophobicContact CG2-CD1 4.14Å; V1486-Y1494 HydrophobicContact CG2-CE1 4.15Å; D1487-Y1494 HydrophobicContact CB-CE2 4.02Å; D1487-Y1494 PolarHBondContact N-OH 3.43Å; H1490-Y1494 WeakPolarHBondContact O-CD2 3.48Å; L1491-Y1494 PolarHBondContact O-N 3.12Å; E1492-Y1494 PolarHBondContact O-N 3.3Å
1495L86.3Confident83Confident12 Ų1254.2 Ų54.26%0.06330%0.298CS..SBendtrans-88.2141.3175-70.9170.2000111.1L1474 L1477 D1499 F1500 A1503 L1528L1474-L1495 HydrophobicContact CB-CD2 4.01Å; L1474-L1495 HydrophobicContact CD1-CD1 4.49Å; L1474-L1495 HydrophobicContact CD1-CD2 4Å; L1477-L1495 HydrophobicContact CD1-CD2 3.68Å; L1477-L1495 HydrophobicContact CD1-CG 3.88Å; L1495-D1499 HydrophobicContact CD2-CB 4.08Å; L1495-F1500 HydrophobicContact CB-CB 3.99Å; L1495-F1500 HydrophobicContact CB-CD2 4.46Å; L1495-A1503 HydrophobicContact CD1-CB 4.15Å; L1495-L1528 HydrophobicContact CD1-CD1 3.85Å; L1495-L1528 HydrophobicContact CD1-CD2 4.47Å
1496S86.5Confident84Confident21 Ų2155.6 Ų55.615%0.14730%0.301CS..  trans-63.3158.2168.885.60000110.5H1498 D1499 F1500S1496-H1498 PolarHBondContact O-N 3.35Å; S1496-H1498 VanDerWaalsContact O-N 3.07Å; S1496-H1498 PolarHBondContact OG-N 3.02Å; S1496-D1499 WeakPolarHBondContact CB-OD2 3.12Å; S1496-D1499 PolarHBondContact O-N 3.02Å; S1496-D1499 PolarHBondContact OG-N 3.42Å; S1496-D1499 VanDerWaalsContact OG-N 3.15Å; S1496-D1499 PolarHBondContact OG-OD2 2.82Å; S1496-F1500 VanDerWaalsContact O-CB 3.23Å; S1496-F1500 WeakPolarHBondContact O-CB 3.48Å; S1496-F1500 PolarHBondContact O-N 3.22Å
1497Q85.5Confident84.7Confident162 Ų16257.7 Ų57.776%0.75731%0.313SS*.Hα-helixtrans-59.5-25.6179.4-166.2-179.92300112.9
1498H86Confident85.2Confident139 Ų13960.5 Ų60.564%0.64432%0.32SS*.Hα-helixtrans-72.2-53.2171.7175.2-91.5000111.2S1496 F1500 K1501 A1502S1496-H1498 PolarHBondContact O-N 3.35Å; S1496-H1498 VanDerWaalsContact O-N 3.07Å; S1496-H1498 PolarHBondContact OG-N 3.02Å; H1498-F1500 PolarHBondContact O-N 3.04Å; H1498-K1501 WeakPolarHBondContact O-CB 3.09Å; H1498-K1501 PolarHBondContact O-N 3.41Å; H1498-K1501 VanDerWaalsContact O-N 3.14Å; H1498-A1502 PolarHBondContact O-N 3.47Å
1499D87Confident85.6Confident45 Ų4564 Ų6424%0.24134%0.336CS..Hα-helixtrans-73.9-30.4-171.7-51-41.4000112L1495 S1496 K1501 A1502 A1503L1495-D1499 HydrophobicContact CD2-CB 4.08Å; S1496-D1499 WeakPolarHBondContact CB-OD2 3.12Å; S1496-D1499 PolarHBondContact O-N 3.02Å; S1496-D1499 PolarHBondContact OG-N 3.42Å; S1496-D1499 VanDerWaalsContact OG-N 3.15Å; S1496-D1499 PolarHBondContact OG-OD2 2.82Å; D1499-K1501 VanDerWaalsContact C-N 3.34Å; D1499-A1502 PolarHBondContact O-N 3.03Å; D1499-A1503 VanDerWaalsContact O-CB 3.22Å; D1499-A1503 WeakPolarHBondContact O-CB 3.44Å; D1499-A1503 PolarHBondContact O-N 3.42Å
1500F89.1Confident86.4Confident4 Ų461.2 Ų61.22%0.01833%0.325CS..Hα-helixtrans-55.6-50167.4-174.4-78.4000110.7E1492 L1495 S1496 H1498 A1503 L1504 W1508 Y1511E1492-F1500 HydrophobicContact CB-CE2 4.1Å; L1495-F1500 HydrophobicContact CB-CB 3.99Å; L1495-F1500 HydrophobicContact CB-CD2 4.46Å; S1496-F1500 VanDerWaalsContact O-CB 3.23Å; S1496-F1500 WeakPolarHBondContact O-CB 3.48Å; S1496-F1500 PolarHBondContact O-N 3.22Å; H1498-F1500 PolarHBondContact O-N 3.04Å; F1500-A1503 PolarHBondContact O-N 3.07Å; F1500-L1504 HydrophobicContact CD1-CD1 4.28Å; F1500-L1504 HydrophobicContact CD2-CD1 4.02Å; F1500-L1504 HydrophobicContact CE1-CD1 3.87Å; F1500-L1504 HydrophobicContact CE2-CD1 3.61Å; F1500-L1504 HydrophobicContact CG-CD1 4.34Å; F1500-L1504 HydrophobicContact CZ-CD1 3.53Å; F1500-L1504 WeakPolarHBondContact O-CB 3.35Å; F1500-L1504 PolarHBondContact O-N 3.07Å; F1500-W1508 HydrophobicContact CD1-CB 4.48Å; F1500-W1508 HydrophobicContact CE1-CB 4.14Å; F1500-W1508 AromaticContact CE2-CD1 3.53Å; F1500-W1508 HydrophobicContact CE2-CG 4.5Å; F1500-W1508 HydrophobicContact CZ-CB 4.26Å; F1500-W1508 AromaticContact CZ-CD1 3.71Å; F1500-W1508 HydrophobicContact CZ-CG 4.32Å; F1500-Y1511 HydrophobicContact CE1-CG 4.4Å; F1500-Y1511 HydrophobicContact CE2-CD1 4.39Å; F1500-Y1511 AromaticContact CZ-CD1 3.81Å; F1500-Y1511 HydrophobicContact CZ-CD1 3.81Å; F1500-Y1511 HydrophobicContact CZ-CD2 4.28Å; F1500-Y1511 AromaticContact CZ-CG 3.64Å; F1500-Y1511 HydrophobicContact CZ-CG 3.64Å
1501K88.8Confident86.8Confident127 Ų12757.9 Ų57.955%0.55231%0.31SS*.Hα-helixtrans-67.9-35.3179.6-172.1-178176.5-173.20111.9H1498 D1499 G1505 M1506H1498-K1501 WeakPolarHBondContact O-CB 3.09Å; H1498-K1501 PolarHBondContact O-N 3.41Å; H1498-K1501 VanDerWaalsContact O-N 3.14Å; D1499-K1501 VanDerWaalsContact C-N 3.34Å; K1501-G1505 WeakPolarHBondContact O-CA 3.43Å; K1501-G1505 PolarHBondContact O-N 2.68Å; K1501-M1506 WeakPolarHBondContact CA-O 3.41Å
1502A86.3Confident86.9Confident71 Ų7161.2 Ų61.259%0.58733%0.328SS*.Hα-helixtrans-69.4-43.8175.300000112.6H1498 D1499H1498-A1502 PolarHBondContact O-N 3.47Å; D1499-A1502 PolarHBondContact O-N 3.03Å
1503A84.9Confident87Confident8 Ų865.3 Ų65.37%0.06636%0.358CS..Hα-helixtrans-71.8-54.2-17900000112.1L1474 L1495 D1499 F1500 K1526 L1528L1474-A1503 HydrophobicContact CD1-CB 3.92Å; L1474-A1503 HydrophobicContact CD2-CB 3.88Å; L1495-A1503 HydrophobicContact CD1-CB 4.15Å; D1499-A1503 VanDerWaalsContact O-CB 3.22Å; D1499-A1503 WeakPolarHBondContact O-CB 3.44Å; D1499-A1503 PolarHBondContact O-N 3.42Å; F1500-A1503 PolarHBondContact O-N 3.07Å; A1503-K1526 VanDerWaalsContact O-CD 3.28Å; A1503-K1526 WeakPolarHBondContact O-CD 3.28Å; A1503-K1526 WeakPolarHBondContact O-CE 3.2Å; A1503-K1526 PolarHBondContact O-NZ 3.4Å; A1503-L1528 HydrophobicContact CB-CD1 4.22Å
1504L86.7Confident87.2Confident6 Ų663.1 Ų63.13%0.03135%0.346CS..Hα-helixtrans-91.2-14.6-171.3-59.4-178.6000113.5E1492 F1500 M1506 Y1511 L1522 K1526 L1528E1492-L1504 HydrophobicContact CB-CD1 4.46Å; F1500-L1504 HydrophobicContact CD1-CD1 4.28Å; F1500-L1504 HydrophobicContact CD2-CD1 4.02Å; F1500-L1504 HydrophobicContact CE1-CD1 3.87Å; F1500-L1504 HydrophobicContact CE2-CD1 3.61Å; F1500-L1504 HydrophobicContact CG-CD1 4.34Å; F1500-L1504 HydrophobicContact CZ-CD1 3.53Å; F1500-L1504 WeakPolarHBondContact O-CB 3.35Å; F1500-L1504 PolarHBondContact O-N 3.07Å; L1504-M1506 VanDerWaalsContact C-N 3.29Å; L1504-M1506 HydrophobicContact CB-CG 4.33Å; L1504-M1506 PolarHBondContact O-N 3.32Å; L1504-Y1511 HydrophobicContact CD1-CD2 4Å; L1504-Y1511 HydrophobicContact CD1-CE2 4.01Å; L1504-L1522 HydrophobicContact CB-CD2 4Å; L1504-L1522 HydrophobicContact CD1-CD2 4.47Å; L1504-L1522 HydrophobicContact CD2-CD2 4.02Å; L1504-L1522 HydrophobicContact CD2-CG 4.19Å; L1504-L1522 HydrophobicContact CG-CD2 4.39Å; L1504-K1526 HydrophobicContact CD2-CB 4.37Å; L1504-K1526 HydrophobicContact CD2-CG 4.07Å; L1504-L1528 HydrophobicContact CD2-CD1 3.8Å; L1504-L1528 HydrophobicContact CG-CD1 4.43Å
1505G86.6Confident87.4Confident64 Ų6464 Ų6466%0.6636%0.358SS*.SBendtrans77.85.3176.200000115.6K1501K1501-G1505 WeakPolarHBondContact O-CA 3.43Å; K1501-G1505 PolarHBondContact O-N 2.68Å
1506M90.5Very high87.3Confident46 Ų4669.1 Ų69.123%0.22739%0.385CS..SBendtrans-140.3169.2-175.163.7-1766600111.2K1501 L1504 D1510 Y1511 L1514 L1522K1501-M1506 WeakPolarHBondContact CA-O 3.41Å; L1504-M1506 VanDerWaalsContact C-N 3.29Å; L1504-M1506 HydrophobicContact CB-CG 4.33Å; L1504-M1506 PolarHBondContact O-N 3.32Å; M1506-D1510 HydrophobicContact CB-CB 4.15Å; M1506-Y1511 HydrophobicContact SD-CD2 4.06Å; M1506-L1514 HydrophobicContact CE-CD1 4.17Å; M1506-L1514 HydrophobicContact SD-CD1 3.79Å; M1506-L1522 HydrophobicContact CE-CD1 4.06Å; M1506-L1522 HydrophobicContact CE-CD2 3.52Å; M1506-L1522 HydrophobicContact CE-CG 4.47Å; M1506-L1522 HydrophobicContact SD-CD2 3.79Å
1507T89.4Confident87.2Confident53 Ų5373.5 Ų73.533%0.32541%0.407SS..  trans-83.3160.9174.678.80000111.6N1509 D1510 Y1511T1507-N1509 PolarHBondContact O-N 3.12Å; T1507-D1510 WeakPolarHBondContact CA-OD2 3.11Å; T1507-D1510 WeakPolarHBondContact CB-OD2 3.16Å; T1507-D1510 WeakPolarHBondContact CG2-OD2 3.3Å; T1507-D1510 PolarHBondContact N-OD2 3.43Å; T1507-D1510 PolarHBondContact O-N 2.74Å; T1507-D1510 VanDerWaalsContact O-N 3.09Å; T1507-D1510 PolarHBondContact OG1-N 3.47Å; T1507-D1510 PolarHBondContact OG1-OD2 2.83Å; T1507-Y1511 PolarHBondContact O-N 3.22Å
1508W85.6Confident87.3Confident118 Ų11870.6 Ų70.645%0.44739%0.393SS..Hα-helixtrans-58.3-32.9177.6-166.982000112.9F1500 N1512F1500-W1508 HydrophobicContact CD1-CB 4.48Å; F1500-W1508 HydrophobicContact CE1-CB 4.14Å; F1500-W1508 AromaticContact CE2-CD1 3.53Å; F1500-W1508 HydrophobicContact CE2-CG 4.5Å; F1500-W1508 HydrophobicContact CZ-CB 4.26Å; F1500-W1508 AromaticContact CZ-CD1 3.71Å; F1500-W1508 HydrophobicContact CZ-CG 4.32Å; W1508-N1512 VanDerWaalsContact CD2-ND2 3.34Å; W1508-N1512 VanDerWaalsContact CE2-ND2 3.33Å; W1508-N1512 WeakPolarHBondContact CH2-ND2 3.48Å; W1508-N1512 VanDerWaalsContact CZ2-ND2 3.26Å; W1508-N1512 WeakPolarHBondContact CZ2-ND2 3.4Å; W1508-N1512 WeakPolarHBondContact CZ3-ND2 3.49Å; W1508-N1512 WeakPolarHBondContact O-CB 3.21Å; W1508-N1512 VanDerWaalsContact O-CG 3.29Å; W1508-N1512 PolarHBondContact O-N 3.29Å; W1508-N1512 PolarHBondContact O-ND2 2.88Å
1509N86Confident87.4Confident120 Ų12065.7 Ų65.764%0.64237%0.37SS*.Hα-helixtrans-68.4-41.7175.2-65.2-10.6000111.8T1507 N1512 S1513T1507-N1509 PolarHBondContact O-N 3.12Å; N1509-N1512 PolarHBondContact O-N 3.24Å; N1509-S1513 PolarHBondContact O-N 3.5Å
1510D88.6Confident87.2Confident77 Ų7766.4 Ų66.441%0.41237%0.372SS..Hα-helixtrans-65.5-45.8178.3-48.2-48.4000109.9M1506 T1507 N1512 S1513 L1514M1506-D1510 HydrophobicContact CB-CB 4.15Å; T1507-D1510 WeakPolarHBondContact CA-OD2 3.11Å; T1507-D1510 WeakPolarHBondContact CB-OD2 3.16Å; T1507-D1510 WeakPolarHBondContact CG2-OD2 3.3Å; T1507-D1510 PolarHBondContact N-OD2 3.43Å; T1507-D1510 PolarHBondContact O-N 2.74Å; T1507-D1510 VanDerWaalsContact O-N 3.09Å; T1507-D1510 PolarHBondContact OG1-N 3.47Å; T1507-D1510 PolarHBondContact OG1-OD2 2.83Å; D1510-N1512 PolarHBondContact O-N 3.44Å; D1510-S1513 WeakPolarHBondContact O-CA 3.15Å; D1510-S1513 WeakPolarHBondContact O-CB 3.41Å; D1510-S1513 PolarHBondContact O-N 2.89Å; D1510-S1513 PolarHBondContact O-OG 3.44Å; D1510-L1514 PolarHBondContact O-N 3.23Å
1511Y90.3Very high87.1Confident4 Ų470.1 Ų70.12%0.01639%0.393CS..Hα-helixtrans-59.3-42.5176.9-178.4-99.1000112.8E1492 F1500 L1504 M1506 T1507 S1513 L1514 K1519 L1522 K1523E1492-Y1511 HydrophobicContact CG-CE1 3.92Å; F1500-Y1511 HydrophobicContact CE1-CG 4.4Å; F1500-Y1511 HydrophobicContact CE2-CD1 4.39Å; F1500-Y1511 AromaticContact CZ-CD1 3.81Å; F1500-Y1511 HydrophobicContact CZ-CD1 3.81Å; F1500-Y1511 HydrophobicContact CZ-CD2 4.28Å; F1500-Y1511 AromaticContact CZ-CG 3.64Å; F1500-Y1511 HydrophobicContact CZ-CG 3.64Å; L1504-Y1511 HydrophobicContact CD1-CD2 4Å; L1504-Y1511 HydrophobicContact CD1-CE2 4.01Å; M1506-Y1511 HydrophobicContact SD-CD2 4.06Å; T1507-Y1511 PolarHBondContact O-N 3.22Å; Y1511-S1513 PolarHBondContact O-N 2.94Å; Y1511-L1514 HydrophobicContact CD2-CD1 4.08Å; Y1511-L1514 VanDerWaalsContact O-CB 3.3Å; Y1511-L1514 WeakPolarHBondContact O-CB 3.34Å; Y1511-L1514 PolarHBondContact O-N 3.45Å; Y1511-L1514 VanDerWaalsContact O-N 3.12Å; Y1511-K1519 HydrophobicContact CD1-CD 4.49Å; Y1511-K1519 HydrophobicContact CD1-CG 4.49Å; Y1511-K1519 HydrophobicContact CD2-CG 4.41Å; Y1511-K1519 HydrophobicContact CE1-CB 4.47Å; Y1511-K1519 HydrophobicContact CE1-CD 3.98Å; Y1511-K1519 HydrophobicContact CE1-CG 4.01Å; Y1511-K1519 HydrophobicContact CE2-CB 4.04Å; Y1511-K1519 HydrophobicContact CE2-CG 3.92Å; Y1511-K1519 WeakPolarHBondContact O-CE 3.32Å; Y1511-L1522 HydrophobicContact CD2-CD2 3.73Å; Y1511-L1522 HydrophobicContact CE2-CD2 3.82Å; Y1511-K1523 WeakPolarHBondContact OH-CE 3.22Å
1512N86.3Confident86.9Confident69 Ų6965.6 Ų65.637%0.36937%0.374SS..Hα-helixtrans-68.3-19176.1-74.9-15.6000113.5W1508 N1509 D1510W1508-N1512 VanDerWaalsContact CD2-ND2 3.34Å; W1508-N1512 VanDerWaalsContact CE2-ND2 3.33Å; W1508-N1512 WeakPolarHBondContact CH2-ND2 3.48Å; W1508-N1512 VanDerWaalsContact CZ2-ND2 3.26Å; W1508-N1512 WeakPolarHBondContact CZ2-ND2 3.4Å; W1508-N1512 WeakPolarHBondContact CZ3-ND2 3.49Å; W1508-N1512 WeakPolarHBondContact O-CB 3.21Å; W1508-N1512 VanDerWaalsContact O-CG 3.29Å; W1508-N1512 PolarHBondContact O-N 3.29Å; W1508-N1512 PolarHBondContact O-ND2 2.88Å; N1509-N1512 PolarHBondContact O-N 3.24Å; D1510-N1512 PolarHBondContact O-N 3.44Å
1513S87.8Confident87Confident98 Ų9863.1 Ų63.169%0.68535%0.35SS*.THydrogen-bonded Turntrans-83.9-9.4172.878.80000114.3N1509 D1510 Y1511N1509-S1513 PolarHBondContact O-N 3.5Å; D1510-S1513 WeakPolarHBondContact O-CA 3.15Å; D1510-S1513 WeakPolarHBondContact O-CB 3.41Å; D1510-S1513 PolarHBondContact O-N 2.89Å; D1510-S1513 PolarHBondContact O-OG 3.44Å; Y1511-S1513 PolarHBondContact O-N 2.94Å
1514L88.3Confident87Confident41 Ų4167.5 Ų67.522%0.21537%0.368CS..SBendtrans-72154.5172.2-61.3-180000111.5M1506 D1510 Y1511 Q1518 K1519 L1522M1506-L1514 HydrophobicContact CE-CD1 4.17Å; M1506-L1514 HydrophobicContact SD-CD1 3.79Å; D1510-L1514 PolarHBondContact O-N 3.23Å; Y1511-L1514 HydrophobicContact CD2-CD1 4.08Å; Y1511-L1514 VanDerWaalsContact O-CB 3.3Å; Y1511-L1514 WeakPolarHBondContact O-CB 3.34Å; Y1511-L1514 PolarHBondContact O-N 3.45Å; Y1511-L1514 VanDerWaalsContact O-N 3.12Å; L1514-Q1518 HydrophobicContact CB-CB 3.98Å; L1514-Q1518 HydrophobicContact CD1-CB 4.37Å; L1514-Q1518 HydrophobicContact CD2-CB 4.43Å; L1514-K1519 HydrophobicContact CB-CG 3.95Å; L1514-K1519 WeakPolarHBondContact O-CE 3.23Å; L1514-K1519 PolarHBondContact O-NZ 3.26Å; L1514-L1522 HydrophobicContact CD1-CD2 4.37Å
1515S88.9Confident86.9Confident60 Ų6071.1 Ų71.142%0.4239%0.393SS..  trans-69.5155.6165.472.20000110.8L1517 Q1518 K1519S1515-L1517 PolarHBondContact O-N 3.42Å; S1515-Q1518 WeakPolarHBondContact O-CA 3.43Å; S1515-Q1518 WeakPolarHBondContact O-CB 3.36Å; S1515-Q1518 PolarHBondContact O-N 3.41Å; S1515-Q1518 WeakPolarHBondContact OG-CG 3.32Å; S1515-Q1518 PolarHBondContact OG-N 2.9Å; S1515-Q1518 PolarHBondContact OG-OE1 2.77Å; S1515-K1519 WeakPolarHBondContact O-CG 3.44Å; S1515-K1519 PolarHBondContact O-N 3.04Å
1516D84.4Confident86.7Confident119 Ų11972.4 Ų72.464%0.63638%0.381SS*.Hα-helixtrans-67-24.6-174.9-54.2-53.8000113.1K1519 M1520D1516-K1519 PolarHBondContact O-N 3.38Å; D1516-K1519 WeakPolarHBondContact OD1-CD 3.35Å; D1516-K1519 IonicContact OD1-NZ 2.68Å; D1516-K1519 PolarHBondContact OD1-NZ 3.33Å; D1516-M1520 WeakPolarHBondContact O-CB 3.29Å; D1516-M1520 PolarHBondContact O-N 3.02Å
1517L83.9Confident86.2Confident113 Ų11371.9 Ų71.959%0.59239%0.387SS*.Hα-helixtrans-67.5-45.3170.3-162.1152.6000111S1515 K1519 M1520 D1521S1515-L1517 PolarHBondContact O-N 3.42Å; L1517-K1519 VanDerWaalsContact C-N 3.34Å; L1517-K1519 PolarHBondContact O-N 3.37Å; L1517-M1520 HydrophobicContact CG-CE 4.34Å; L1517-M1520 PolarHBondContact O-N 2.99Å; L1517-D1521 WeakPolarHBondContact CD2-OD2 3.49Å; L1517-D1521 PolarHBondContact O-N 3.37Å
1518Q87.7Confident85.7Confident101 Ų10169.4 Ų69.447%0.47237%0.372SS..Hα-helixtrans-62.8-38.2172.2-71.2171.5-38.300112.3L1514 S1515 L1522L1514-Q1518 HydrophobicContact CB-CB 3.98Å; L1514-Q1518 HydrophobicContact CD1-CB 4.37Å; L1514-Q1518 HydrophobicContact CD2-CB 4.43Å; S1515-Q1518 WeakPolarHBondContact O-CA 3.43Å; S1515-Q1518 WeakPolarHBondContact O-CB 3.36Å; S1515-Q1518 PolarHBondContact O-N 3.41Å; S1515-Q1518 WeakPolarHBondContact OG-CG 3.32Å; S1515-Q1518 PolarHBondContact OG-N 2.9Å; S1515-Q1518 PolarHBondContact OG-OE1 2.77Å; Q1518-L1522 VanDerWaalsContact O-CB 3.32Å; Q1518-L1522 WeakPolarHBondContact O-CB 3.38Å; Q1518-L1522 PolarHBondContact O-N 3.09Å
1519K88.2Confident85.2Confident35 Ų3568 Ų6815%0.15237%0.367CS..Hα-helixtrans-62-46.7174.1-69.1177-164.3146.60111.2Y1511 L1514 S1515 D1516 L1517 L1522 K1523Y1511-K1519 HydrophobicContact CD1-CD 4.49Å; Y1511-K1519 HydrophobicContact CD1-CG 4.49Å; Y1511-K1519 HydrophobicContact CD2-CG 4.41Å; Y1511-K1519 HydrophobicContact CE1-CB 4.47Å; Y1511-K1519 HydrophobicContact CE1-CD 3.98Å; Y1511-K1519 HydrophobicContact CE1-CG 4.01Å; Y1511-K1519 HydrophobicContact CE2-CB 4.04Å; Y1511-K1519 HydrophobicContact CE2-CG 3.92Å; Y1511-K1519 WeakPolarHBondContact O-CE 3.32Å; L1514-K1519 HydrophobicContact CB-CG 3.95Å; L1514-K1519 WeakPolarHBondContact O-CE 3.23Å; L1514-K1519 PolarHBondContact O-NZ 3.26Å; S1515-K1519 WeakPolarHBondContact O-CG 3.44Å; S1515-K1519 PolarHBondContact O-N 3.04Å; D1516-K1519 PolarHBondContact O-N 3.38Å; D1516-K1519 WeakPolarHBondContact OD1-CD 3.35Å; D1516-K1519 IonicContact OD1-NZ 2.68Å; D1516-K1519 PolarHBondContact OD1-NZ 3.33Å; L1517-K1519 VanDerWaalsContact C-N 3.34Å; L1517-K1519 PolarHBondContact O-N 3.37Å; K1519-L1522 PolarHBondContact O-N 3.44Å; K1519-K1523 WeakPolarHBondContact O-CG 3.48Å; K1519-K1523 PolarHBondContact O-N 3.37Å
1520M83.9Confident84.1Confident60 Ų6065.4 Ų65.430%0.29635%0.353SS..Hα-helixtrans-61.3-48177.9178.2-174.760.900111.6D1516 L1517 L1522 K1523 K1524 Y1529D1516-M1520 WeakPolarHBondContact O-CB 3.29Å; D1516-M1520 PolarHBondContact O-N 3.02Å; L1517-M1520 HydrophobicContact CG-CE 4.34Å; L1517-M1520 PolarHBondContact O-N 2.99Å; M1520-L1522 VanDerWaalsContact C-N 3.29Å; M1520-L1522 PolarHBondContact O-N 3.19Å; M1520-K1523 WeakPolarHBondContact O-CB 3.38Å; M1520-K1523 PolarHBondContact O-N 3.07Å; M1520-K1524 HydrophobicContact CG-CD 3.94Å; M1520-K1524 HydrophobicContact CG-CG 4.46Å; M1520-K1524 WeakPolarHBondContact O-CB 3.41Å; M1520-K1524 WeakPolarHBondContact O-CG 3.15Å; M1520-K1524 PolarHBondContact O-N 2.81Å; M1520-K1524 PolarHBondContact SD-NZ 2.61Å; M1520-Y1529 HydrophobicContact CG-CD2 4.46Å; M1520-Y1529 HydrophobicContact CG-CE2 4.06Å
1521D85.1Confident82.5Confident83 Ų8369.1 Ų69.144%0.44439%0.394SS..Hα-helixtrans-62.3-39.5178.4-68.8-15.5000111.3L1517 K1524 S1525L1517-D1521 WeakPolarHBondContact CD2-OD2 3.49Å; L1517-D1521 PolarHBondContact O-N 3.37Å; D1521-K1524 PolarHBondContact O-N 3.33Å; D1521-S1525 WeakPolarHBondContact O-CB 3.22Å; D1521-S1525 PolarHBondContact O-N 2.64Å; D1521-S1525 PolarHBondContact O-OG 2.98Å
1522L86.5Confident82.1Confident32 Ų3272.4 Ų72.417%0.16841%0.413CS..Hα-helixtrans-63.6-46.6174.4-161.577.1000111.5L1504 M1506 Y1511 L1514 Q1518 K1519 M1520 K1524 S1525 K1526L1504-L1522 HydrophobicContact CB-CD2 4Å; L1504-L1522 HydrophobicContact CD1-CD2 4.47Å; L1504-L1522 HydrophobicContact CD2-CD2 4.02Å; L1504-L1522 HydrophobicContact CD2-CG 4.19Å; L1504-L1522 HydrophobicContact CG-CD2 4.39Å; M1506-L1522 HydrophobicContact CE-CD1 4.06Å; M1506-L1522 HydrophobicContact CE-CD2 3.52Å; M1506-L1522 HydrophobicContact CE-CG 4.47Å; M1506-L1522 HydrophobicContact SD-CD2 3.79Å; Y1511-L1522 HydrophobicContact CD2-CD2 3.73Å; Y1511-L1522 HydrophobicContact CE2-CD2 3.82Å; L1514-L1522 HydrophobicContact CD1-CD2 4.37Å; Q1518-L1522 VanDerWaalsContact O-CB 3.32Å; Q1518-L1522 WeakPolarHBondContact O-CB 3.38Å; Q1518-L1522 PolarHBondContact O-N 3.09Å; K1519-L1522 PolarHBondContact O-N 3.44Å; M1520-L1522 VanDerWaalsContact C-N 3.29Å; M1520-L1522 PolarHBondContact O-N 3.19Å; L1522-K1524 PolarHBondContact O-N 3.15Å; L1522-S1525 PolarHBondContact O-N 3.34Å; L1522-S1525 PolarHBondContact O-OG 3.26Å; L1522-K1526 WeakPolarHBondContact O-CG 3.44Å; L1522-K1526 PolarHBondContact O-N 2.84Å
1523K87.6Confident81.9Confident18 Ų1872.6 Ų72.68%0.07842%0.416CS..Hα-helixtrans-56.2-50.6174.3-72.5-173.9-157.5-154.70111.4Q1489 E1492 Y1511 K1519 M1520 S1525 K1526 G1527 L1528 Y1529Q1489-K1523 PolarHBondContact O-NZ 3.23Å; E1492-K1523 VanDerWaalsContact CD-CE 3.41Å; E1492-K1523 WeakPolarHBondContact OE1-CE 3.37Å; E1492-K1523 IonicContact OE1-NZ 3.02Å; E1492-K1523 PolarHBondContact OE1-NZ 3.46Å; E1492-K1523 WeakPolarHBondContact OE2-CE 3.39Å; E1492-K1523 IonicContact OE2-NZ 2.71Å; E1492-K1523 PolarHBondContact OE2-NZ 3.47Å; Y1511-K1523 WeakPolarHBondContact OH-CE 3.22Å; K1519-K1523 WeakPolarHBondContact O-CG 3.48Å; K1519-K1523 PolarHBondContact O-N 3.37Å; M1520-K1523 WeakPolarHBondContact O-CB 3.38Å; M1520-K1523 PolarHBondContact O-N 3.07Å; K1523-S1525 PolarHBondContact O-N 3.45Å; K1523-K1526 CarbonylContact O-C 3.57Å; K1523-K1526 PolarHBondContact O-N 3.14Å; K1523-G1527 PolarHBondContact O-N 2.77Å; K1523-L1528 HydrophobicContact CB-CB 4.48Å; K1523-L1528 WeakPolarHBondContact CB-O 3.46Å; K1523-L1528 PolarHBondContact O-N 2.9Å; K1523-Y1529 HydrophobicContact CB-CD2 4.48Å
1524K84.8Confident81.5Confident100 Ų10071.2 Ų71.244%0.43540%0.401SS..Hα-helixtrans-57.9-45.4178.5-75.1174.9175.8175.70111.5M1520 D1521 L1522 K1526 G1527 Y1529M1520-K1524 HydrophobicContact CG-CD 3.94Å; M1520-K1524 HydrophobicContact CG-CG 4.46Å; M1520-K1524 WeakPolarHBondContact O-CB 3.41Å; M1520-K1524 WeakPolarHBondContact O-CG 3.15Å; M1520-K1524 PolarHBondContact O-N 2.81Å; M1520-K1524 PolarHBondContact SD-NZ 2.61Å; D1521-K1524 PolarHBondContact O-N 3.33Å; L1522-K1524 PolarHBondContact O-N 3.15Å; K1524-K1526 PolarHBondContact O-N 2.95Å; K1524-G1527 PolarHBondContact O-N 2.58Å; K1524-Y1529 HydrophobicContact CD-CD1 4.29Å; K1524-Y1529 HydrophobicContact CD-CE1 4.38Å; K1524-Y1529 VanDerWaalsContact CE-CZ 3.43Å; K1524-Y1529 HydrophobicContact CG-CD1 3.67Å; K1524-Y1529 HydrophobicContact CG-CD2 4.19Å; K1524-Y1529 HydrophobicContact CG-CE1 4.25Å; K1524-Y1529 HydrophobicContact CG-CG 3.63Å
1525S84.9Confident81.1Confident82 Ų8272.9 Ų72.957%0.57341%0.411SS*.THydrogen-bonded Turntrans-64.2-9.6177.477.80000115.1D1521 L1522 K1523D1521-S1525 WeakPolarHBondContact O-CB 3.22Å; D1521-S1525 PolarHBondContact O-N 2.64Å; D1521-S1525 PolarHBondContact O-OG 2.98Å; L1522-S1525 PolarHBondContact O-N 3.34Å; L1522-S1525 PolarHBondContact O-OG 3.26Å; K1523-S1525 PolarHBondContact O-N 3.45Å
1526K82.6Confident80.7Confident92 Ų9273.8 Ų73.840%0.441%0.411SS..THydrogen-bonded Turntrans-122.84.1-175.2-62-64.6-176.61480114.2A1503 L1504 L1522 K1523 K1524 L1528A1503-K1526 VanDerWaalsContact O-CD 3.28Å; A1503-K1526 WeakPolarHBondContact O-CD 3.28Å; A1503-K1526 WeakPolarHBondContact O-CE 3.2Å; A1503-K1526 PolarHBondContact O-NZ 3.4Å; L1504-K1526 HydrophobicContact CD2-CB 4.37Å; L1504-K1526 HydrophobicContact CD2-CG 4.07Å; L1522-K1526 WeakPolarHBondContact O-CG 3.44Å; L1522-K1526 PolarHBondContact O-N 2.84Å; K1523-K1526 CarbonylContact O-C 3.57Å; K1523-K1526 PolarHBondContact O-N 3.14Å; K1524-K1526 PolarHBondContact O-N 2.95Å; K1526-L1528 HydrophobicContact CB-CD1 4.27Å; K1526-L1528 HydrophobicContact CB-CG 4.44Å; K1526-L1528 PolarHBondContact O-N 3.01Å
1527G79Confident80.4Confident34 Ų3470.7 Ų70.735%0.35140%0.396SS..THydrogen-bonded Turntrans70.17.8-175.500000114.6R1480 K1523 K1524 Y1529R1480-G1527 PolarHBondContact NH2-O 2.7Å; K1523-G1527 PolarHBondContact O-N 2.77Å; K1524-G1527 PolarHBondContact O-N 2.58Å; G1527-Y1529 PolarHBondContact O-N 3.44Å
1528L79.9Confident80.2Confident1 Ų167.7 Ų67.71%0.00538%0.382CS..  trans-8932.3177.6-68.8169.4000111.6L1474 L1477 L1491 L1495 A1503 L1504 K1523 K1526L1474-L1528 HydrophobicContact CD1-CD1 4.29Å; L1474-L1528 HydrophobicContact CD1-CD2 3.93Å; L1474-L1528 HydrophobicContact CD1-CG 4.39Å; L1477-L1528 HydrophobicContact CB-CD2 4.39Å; L1491-L1528 HydrophobicContact CB-CB 4.47Å; L1491-L1528 HydrophobicContact CB-CD2 4.03Å; L1495-L1528 HydrophobicContact CD1-CD1 3.85Å; L1495-L1528 HydrophobicContact CD1-CD2 4.47Å; A1503-L1528 HydrophobicContact CB-CD1 4.22Å; L1504-L1528 HydrophobicContact CD2-CD1 3.8Å; L1504-L1528 HydrophobicContact CG-CD1 4.43Å; K1523-L1528 HydrophobicContact CB-CB 4.48Å; K1523-L1528 WeakPolarHBondContact CB-O 3.46Å; K1523-L1528 PolarHBondContact O-N 2.9Å; K1526-L1528 HydrophobicContact CB-CD1 4.27Å; K1526-L1528 HydrophobicContact CB-CG 4.44Å; K1526-L1528 PolarHBondContact O-N 3.01Å
1529Y73.5Confident79.6Confident90 Ų9065.2 Ų65.235%0.35338%0.375SS..  trans-136.7138.8177.6-172.5-98.2000108.7M1520 K1523 K1524 G1527 A1531M1520-Y1529 HydrophobicContact CG-CD2 4.46Å; M1520-Y1529 HydrophobicContact CG-CE2 4.06Å; K1523-Y1529 HydrophobicContact CB-CD2 4.48Å; K1524-Y1529 HydrophobicContact CD-CD1 4.29Å; K1524-Y1529 HydrophobicContact CD-CE1 4.38Å; K1524-Y1529 VanDerWaalsContact CE-CZ 3.43Å; K1524-Y1529 HydrophobicContact CG-CD1 3.67Å; K1524-Y1529 HydrophobicContact CG-CD2 4.19Å; K1524-Y1529 HydrophobicContact CG-CE1 4.25Å; K1524-Y1529 HydrophobicContact CG-CG 3.63Å; G1527-Y1529 PolarHBondContact O-N 3.44Å; Y1529-A1531 HydrophobicContact CE1-CB 4.16Å
1530L63.3Low78.9Confident65 Ų6567.7 Ų67.734%0.3439%0.394SS..  trans-114.5140.6163.6-88163000107.9L1482 P1488L1482-L1530 HydrophobicContact CD1-CD1 3.56Å; L1482-L1530 HydrophobicContact CG-CD1 4.21Å; P1488-L1530 HydrophobicContact CB-CB 4.29Å; P1488-L1530 HydrophobicContact CB-CD1 3.65Å
1531A55.3Low78.4Confident155 Ų15568.4 Ų68.4100%1.28140%0.403SS*.  trans-98.10167.600000108.5Y1529Y1529-A1531 HydrophobicContact CE1-CB 4.16Å

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