A0A077ZKB0_TRITR Loading...

Membrane bound transcriptional regulator-like pro tein

AlphaFold DB , UniProt , Accession A0A077ZKB0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 409 aa.

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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
1M69.2Low89.4Confident242 Ų242119.1 Ų119.1100%1.19258%0.579SS**  0126.50-146.1-175.4-103.900108.3
2M82.4Confident89.9Confident96 Ų96118.4 Ų118.447%0.47358%0.58SS.*  trans-70.4131.3-176.5-174.1159.775.900111.3K6 K7M2-K6 HydrophobicContact CG-CB 3.47Å; M2-K6 VanDerWaalsContact CG-CB 3.47Å; M2-K6 HydrophobicContact CG-CD 3.98Å; M2-K6 HydrophobicContact CG-CG 4.33Å; M2-K6 HydrophobicContact SD-CB 3.87Å; M2-K7 HydrophobicContact CE-CB 4.24Å; M2-K7 HydrophobicContact CE-CG 3.43Å; M2-K7 VanDerWaalsContact CE-CG 3.43Å; M2-K7 HydrophobicContact CG-CG 4.49Å
3S88.2Confident90.3Very high69 Ų69116.2 Ų116.248%0.48357%0.571SS.*  trans-56.1144.4176.9174.30000111.4W5 K6 K7S3-W5 VanDerWaalsContact C-N 3.26Å; S3-W5 PolarHBondContact O-N 3.44Å; S3-K6 WeakPolarHBondContact O-CB 3.49Å; S3-K6 PolarHBondContact O-N 3.19Å; S3-K7 PolarHBondContact O-N 2.99Å
4R88Confident90.6Very high221 Ų221113.5 Ų113.583%0.83456%0.564SS**Hα-helixtrans-52.8-40.8-177.7-81-176.4152.8174.1-6.3112.9K6 K7 V8R4-K6 PolarHBondContact O-N 3.35Å; R4-K7 WeakPolarHBondContact O-CB 3.36Å; R4-K7 PolarHBondContact O-N 3.24Å; R4-V8 PolarHBondContact O-N 3.45Å
5W89.3Confident90.9Very high181 Ų181113.5 Ų113.569%0.68657%0.566SS**Hα-helixtrans-64.5-36.9178.3172.259.5000113S3 K7 V8 I9S3-W5 VanDerWaalsContact C-N 3.26Å; S3-W5 PolarHBondContact O-N 3.44Å; W5-K7 VanDerWaalsContact C-N 3.3Å; W5-K7 PolarHBondContact O-N 3.41Å; W5-V8 PolarHBondContact O-N 3.02Å; W5-I9 HydrophobicContact CD2-CD1 3.63Å; W5-I9 HydrophobicContact CE3-CD1 4.1Å; W5-I9 HydrophobicContact CG-CD1 4.19Å; W5-I9 HydrophobicContact CH2-CD1 3.88Å; W5-I9 HydrophobicContact CZ2-CD1 3.38Å; W5-I9 HydrophobicContact CZ2-CG1 4.44Å; W5-I9 HydrophobicContact CZ3-CD1 4.21Å; W5-I9 WeakPolarHBondContact O-CG1 3.42Å; W5-I9 PolarHBondContact O-N 3.43Å
6K93.5Very high91.1Very high119 Ų119112.1 Ų112.152%0.51756%0.56SS.*Hα-helixtrans-62.9-35.3175.8-66.5-176.9178.3-172.70112M2 S3 R4 I9 V10M2-K6 HydrophobicContact CG-CB 3.47Å; M2-K6 VanDerWaalsContact CG-CB 3.47Å; M2-K6 HydrophobicContact CG-CD 3.98Å; M2-K6 HydrophobicContact CG-CG 4.33Å; M2-K6 HydrophobicContact SD-CB 3.87Å; S3-K6 WeakPolarHBondContact O-CB 3.49Å; S3-K6 PolarHBondContact O-N 3.19Å; R4-K6 PolarHBondContact O-N 3.35Å; K6-I9 PolarHBondContact O-N 2.85Å; K6-V10 VanDerWaalsContact O-CG2 3.29Å; K6-V10 WeakPolarHBondContact O-CG2 3.42Å; K6-V10 PolarHBondContact O-N 3.38Å
7K93.7Very high91.3Very high126 Ų126111.6 Ų111.655%0.54856%0.56SS.*Hα-helixtrans-65.1-40.9174.6-68-179.9179.2-1720112.2M2 S3 R4 W5 V10 G11M2-K7 HydrophobicContact CE-CB 4.24Å; M2-K7 HydrophobicContact CE-CG 3.43Å; M2-K7 VanDerWaalsContact CE-CG 3.43Å; M2-K7 HydrophobicContact CG-CG 4.49Å; S3-K7 PolarHBondContact O-N 2.99Å; R4-K7 WeakPolarHBondContact O-CB 3.36Å; R4-K7 PolarHBondContact O-N 3.24Å; W5-K7 VanDerWaalsContact C-N 3.3Å; W5-K7 PolarHBondContact O-N 3.41Å; K7-V10 PolarHBondContact O-N 3.37Å; K7-G11 PolarHBondContact O-N 3.22Å
8V94.1Very high91.5Very high90 Ų90112.2 Ų112.255%0.54557%0.565SS.*Hα-helixtrans-64.5-45.2177.11770000110.7R4 W5 V10 G11 L12R4-V8 PolarHBondContact O-N 3.45Å; W5-V8 PolarHBondContact O-N 3.02Å; V8-V10 PolarHBondContact O-N 2.88Å; V8-G11 PolarHBondContact O-N 3.41Å; V8-L12 HydrophobicContact CG1-CD1 4.14Å; V8-L12 WeakPolarHBondContact O-CG 3.47Å; V8-L12 PolarHBondContact O-N 3.24Å
9I94.7Very high91.6Very high58 Ų58113.5 Ų113.530%0.29757%0.566SS.*Hα-helixtrans-58.5-48.3175.9-67.3164.5000111W5 K6 G11 L12 L13W5-I9 HydrophobicContact CD2-CD1 3.63Å; W5-I9 HydrophobicContact CE3-CD1 4.1Å; W5-I9 HydrophobicContact CG-CD1 4.19Å; W5-I9 HydrophobicContact CH2-CD1 3.88Å; W5-I9 HydrophobicContact CZ2-CD1 3.38Å; W5-I9 HydrophobicContact CZ2-CG1 4.44Å; W5-I9 HydrophobicContact CZ3-CD1 4.21Å; W5-I9 WeakPolarHBondContact O-CG1 3.42Å; W5-I9 PolarHBondContact O-N 3.43Å; K6-I9 PolarHBondContact O-N 2.85Å; I9-G11 VanDerWaalsContact C-N 3.32Å; I9-G11 PolarHBondContact O-N 2.97Å; I9-L12 PolarHBondContact O-N 3.46Å; I9-L13 HydrophobicContact CG2-CD1 3.86Å; I9-L13 HydrophobicContact CG2-CG 4.22Å; I9-L13 WeakPolarHBondContact O-CG 3.29Å; I9-L13 PolarHBondContact O-N 3.33Å
10V95Very high91.7Very high74 Ų74111.8 Ų111.845%0.44856%0.559SS.*Hα-helixtrans-60.4-42.7178.9171.60000111.1K6 K7 V8 L13 V14K6-V10 VanDerWaalsContact O-CG2 3.29Å; K6-V10 WeakPolarHBondContact O-CG2 3.42Å; K6-V10 PolarHBondContact O-N 3.38Å; K7-V10 PolarHBondContact O-N 3.37Å; V8-V10 PolarHBondContact O-N 2.88Å; V10-L13 PolarHBondContact O-N 2.93Å; V10-V14 WeakPolarHBondContact O-CG2 3.28Å; V10-V14 PolarHBondContact O-N 2.87Å
11G95Very high91.8Very high34 Ų34108.3 Ų108.335%0.35155%0.551SS.*Hα-helixtrans-61.3-43.5175.700000113.2K7 V8 I9 V14 L15K7-G11 PolarHBondContact O-N 3.22Å; V8-G11 PolarHBondContact O-N 3.41Å; I9-G11 VanDerWaalsContact C-N 3.32Å; I9-G11 PolarHBondContact O-N 2.97Å; G11-V14 PolarHBondContact O-N 2.94Å; G11-L15 WeakPolarHBondContact O-CG 3.45Å; G11-L15 PolarHBondContact O-N 3.41Å
12L95.2Very high92.9Very high111 Ų11198.7 Ų98.758%0.58151%0.514SS*.Hα-helixtrans-64.6-39.7175.3-72.2173000112.1V8 I9 L15 L16V8-L12 HydrophobicContact CG1-CD1 4.14Å; V8-L12 WeakPolarHBondContact O-CG 3.47Å; V8-L12 PolarHBondContact O-N 3.24Å; I9-L12 PolarHBondContact O-N 3.46Å; L12-L15 PolarHBondContact O-N 3.05Å; L12-L16 VanDerWaalsContact O-CB 3.27Å; L12-L16 WeakPolarHBondContact O-CB 3.34Å; L12-L16 PolarHBondContact O-N 3.46Å
13L95.1Very high93.3Very high90 Ų9098.4 Ų98.447%0.47151%0.514SS..Hα-helixtrans-64.6-40.4175.1-71.7173.8000111.6I9 V10 L16 N17I9-L13 HydrophobicContact CG2-CD1 3.86Å; I9-L13 HydrophobicContact CG2-CG 4.22Å; I9-L13 WeakPolarHBondContact O-CG 3.29Å; I9-L13 PolarHBondContact O-N 3.33Å; V10-L13 PolarHBondContact O-N 2.93Å; L13-L16 PolarHBondContact O-N 3.3Å; L13-N17 WeakPolarHBondContact O-CB 3.45Å; L13-N17 PolarHBondContact O-N 3.49Å; L13-N17 PolarHBondContact O-ND2 3.02Å
14V95.4Very high93.4Very high78 Ų7898.8 Ų98.847%0.47351%0.513SS..Hα-helixtrans-64.2-46.1175.2171.30000111V10 G11 L16 N17 L18V10-V14 WeakPolarHBondContact O-CG2 3.28Å; V10-V14 PolarHBondContact O-N 2.87Å; G11-V14 PolarHBondContact O-N 2.94Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-L16 PolarHBondContact O-N 3.24Å; V14-N17 PolarHBondContact O-N 3.25Å; V14-L18 HydrophobicContact CG1-CD1 4.14Å; V14-L18 HydrophobicContact CG1-CG 4.47Å; V14-L18 WeakPolarHBondContact O-CG 3.27Å; V14-L18 PolarHBondContact O-N 3.35Å
15L94.4Very high93.5Very high114 Ų11496 Ų9660%0.59750%0.503SS*.Hα-helixtrans-61.9-41.2176.4-74.3173.1000112.2G11 L12 L18 F19G11-L15 WeakPolarHBondContact O-CG 3.45Å; G11-L15 PolarHBondContact O-N 3.41Å; L12-L15 PolarHBondContact O-N 3.05Å; L15-L18 PolarHBondContact O-N 2.87Å; L15-F19 VanDerWaalsContact O-CB 3.28Å; L15-F19 WeakPolarHBondContact O-CB 3.4Å; L15-F19 PolarHBondContact O-N 3.43Å
16L94.9Very high93.4Very high90 Ų9093.9 Ų93.947%0.47150%0.496SS..Hα-helixtrans-62-44.2174.9-179.662.7000111.1L12 L13 V14 F19 I20L12-L16 VanDerWaalsContact O-CB 3.27Å; L12-L16 WeakPolarHBondContact O-CB 3.34Å; L12-L16 PolarHBondContact O-N 3.46Å; L13-L16 PolarHBondContact O-N 3.3Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-L16 PolarHBondContact O-N 3.24Å; L16-F19 PolarHBondContact O-N 2.62Å; L16-I20 HydrophobicContact CD1-CD1 3.99Å; L16-I20 HydrophobicContact CD1-CG1 4.28Å; L16-I20 HydrophobicContact CG-CD1 3.79Å; L16-I20 HydrophobicContact CG-CG1 4.47Å; L16-I20 WeakPolarHBondContact O-CB 3.49Å; L16-I20 WeakPolarHBondContact O-CD1 3.47Å; L16-I20 WeakPolarHBondContact O-CG1 3.27Å; L16-I20 PolarHBondContact O-N 2.87Å
17N94.6Very high93.1Very high104 Ų10490.5 Ų90.556%0.55649%0.49SS*.Hα-helixtrans-66.2-38.7176.8-81.7-79.6000112.6L13 V14 G21L13-N17 WeakPolarHBondContact O-CB 3.45Å; L13-N17 PolarHBondContact O-N 3.49Å; L13-N17 PolarHBondContact O-ND2 3.02Å; V14-N17 PolarHBondContact O-N 3.25Å; N17-G21 PolarHBondContact O-N 3.5Å
18L94.3Very high92.8Very high122 Ų12288 Ų8864%0.63949%0.485SS*.Hα-helixtrans-65.7-40.3174.1-73.3173.9000111.7V14 L15 G21 G22V14-L18 HydrophobicContact CG1-CD1 4.14Å; V14-L18 HydrophobicContact CG1-CG 4.47Å; V14-L18 WeakPolarHBondContact O-CG 3.27Å; V14-L18 PolarHBondContact O-N 3.35Å; L15-L18 PolarHBondContact O-N 2.87Å; L18-G21 PolarHBondContact O-N 2.85Å; L18-G22 PolarHBondContact O-N 2.6Å
19F93.7Very high92.4Very high137 Ų13787.8 Ų87.860%0.60148%0.479SS*.Hα-helixtrans-64.9-46.9175.8-177.7-108.2000111.5L15 L16 G22 I23L15-F19 VanDerWaalsContact O-CB 3.28Å; L15-F19 WeakPolarHBondContact O-CB 3.4Å; L15-F19 PolarHBondContact O-N 3.43Å; L16-F19 PolarHBondContact O-N 2.62Å; F19-G22 PolarHBondContact O-N 2.77Å; F19-I23 HydrophobicContact CD1-CD1 3.71Å; F19-I23 HydrophobicContact CE1-CD1 3.28Å; F19-I23 HydrophobicContact CE1-CG1 4.44Å; F19-I23 HydrophobicContact CE2-CD1 4.19Å; F19-I23 HydrophobicContact CG-CD1 4.33Å; F19-I23 HydrophobicContact CZ-CD1 3.56Å; F19-I23 HydrophobicContact CZ-CG1 4.42Å; F19-I23 WeakPolarHBondContact O-CG1 3.38Å; F19-I23 PolarHBondContact O-N 3.44Å
20I93.5Very high91.9Very high80 Ų8085.6 Ų85.641%0.4147%0.468SS..Hα-helixtrans-59.5-48173.5-68.4165.8000110L16 G22 I23 T24L16-I20 HydrophobicContact CD1-CD1 3.99Å; L16-I20 HydrophobicContact CD1-CG1 4.28Å; L16-I20 HydrophobicContact CG-CD1 3.79Å; L16-I20 HydrophobicContact CG-CG1 4.47Å; L16-I20 WeakPolarHBondContact O-CB 3.49Å; L16-I20 WeakPolarHBondContact O-CD1 3.47Å; L16-I20 WeakPolarHBondContact O-CG1 3.27Å; L16-I20 PolarHBondContact O-N 2.87Å; I20-G22 VanDerWaalsContact C-N 3.31Å; I20-G22 PolarHBondContact O-N 2.92Å; I20-I23 PolarHBondContact O-N 2.9Å; I20-I23 VanDerWaalsContact O-N 3.16Å; I20-T24 WeakPolarHBondContact O-CB 3.18Å; I20-T24 PolarHBondContact O-N 3.24Å; I20-T24 PolarHBondContact O-OG1 2.88Å
21G92.9Very high91.4Very high38 Ų3884.7 Ų84.739%0.39246%0.463SS..Hα-helixtrans-59.6-39.7178.100000112.9N17 L18 T24 Y25N17-G21 PolarHBondContact O-N 3.5Å; L18-G21 PolarHBondContact O-N 2.85Å; G21-T24 PolarHBondContact O-N 2.78Å; G21-Y25 VanDerWaalsContact O-CB 3.27Å; G21-Y25 WeakPolarHBondContact O-CB 3.36Å; G21-Y25 PolarHBondContact O-N 3.37Å
22G92.3Very high91Very high41 Ų4187.2 Ų87.242%0.42347%0.468SS..Hα-helixtrans-64.8-43.6173.700000112.8L18 F19 I20 Y26L18-G22 PolarHBondContact O-N 2.6Å; F19-G22 PolarHBondContact O-N 2.77Å; I20-G22 VanDerWaalsContact C-N 3.31Å; I20-G22 PolarHBondContact O-N 2.92Å; G22-Y26 WeakPolarHBondContact O-CB 3.35Å; G22-Y26 PolarHBondContact O-N 2.98Å
23I90.5Very high90.5Very high90 Ų9084.7 Ų84.746%0.46246%0.455SS..Hα-helixtrans-63.1-46.8174.9-69.8169.3000110.7F19 I20 Y26 A27F19-I23 HydrophobicContact CD1-CD1 3.71Å; F19-I23 HydrophobicContact CE1-CD1 3.28Å; F19-I23 HydrophobicContact CE1-CG1 4.44Å; F19-I23 HydrophobicContact CE2-CD1 4.19Å; F19-I23 HydrophobicContact CG-CD1 4.33Å; F19-I23 HydrophobicContact CZ-CD1 3.56Å; F19-I23 HydrophobicContact CZ-CG1 4.42Å; F19-I23 WeakPolarHBondContact O-CG1 3.38Å; F19-I23 PolarHBondContact O-N 3.44Å; I20-I23 PolarHBondContact O-N 2.9Å; I20-I23 VanDerWaalsContact O-N 3.16Å; I23-Y26 PolarHBondContact O-N 3.49Å; I23-A27 WeakPolarHBondContact O-CB 3.46Å; I23-A27 PolarHBondContact O-N 3.29Å
24T90.7Very high90Very high76 Ų7680.4 Ų80.447%0.46643%0.433SS..Hα-helixtrans-62.9-45.3179.4-58.20000111.1I20 G21 Y26 A27 V28I20-T24 WeakPolarHBondContact O-CB 3.18Å; I20-T24 PolarHBondContact O-N 3.24Å; I20-T24 PolarHBondContact O-OG1 2.88Å; G21-T24 PolarHBondContact O-N 2.78Å; T24-Y26 PolarHBondContact O-N 3.35Å; T24-A27 PolarHBondContact O-N 2.84Å; T24-V28 HydrophobicContact CG2-CG2 4.45Å; T24-V28 VanDerWaalsContact O-CG2 3.32Å; T24-V28 WeakPolarHBondContact O-CG2 3.4Å; T24-V28 PolarHBondContact O-N 2.91Å
25Y91.4Very high89.6Confident162 Ų16279 Ų7964%0.63543%0.426SS*.Hα-helixtrans-60.1-46.3176.5177.9-97.4000111.8G21 V28 Q29G21-Y25 VanDerWaalsContact O-CB 3.27Å; G21-Y25 WeakPolarHBondContact O-CB 3.36Å; G21-Y25 PolarHBondContact O-N 3.37Å; Y25-V28 PolarHBondContact O-N 3.48Å; Y25-Q29 WeakPolarHBondContact O-CB 3.37Å; Y25-Q29 PolarHBondContact O-N 3.49Å
26Y87.1Confident89.3Confident137 Ų13780.5 Ų80.554%0.53743%0.428SS..Hα-helixtrans-61.4-44.4176178.3-104.2000111.8G22 I23 T24 V28 Q29 V30G22-Y26 WeakPolarHBondContact O-CB 3.35Å; G22-Y26 PolarHBondContact O-N 2.98Å; I23-Y26 PolarHBondContact O-N 3.49Å; T24-Y26 PolarHBondContact O-N 3.35Å; Y26-V28 PolarHBondContact O-N 2.93Å; Y26-Q29 PolarHBondContact O-N 3.48Å; Y26-V30 HydrophobicContact CD1-CG2 4.2Å; Y26-V30 HydrophobicContact CD2-CG2 4.21Å; Y26-V30 HydrophobicContact CE1-CG2 3.84Å; Y26-V30 HydrophobicContact CE2-CG2 3.85Å; Y26-V30 HydrophobicContact CG-CG2 4.38Å; Y26-V30 WeakPolarHBondContact O-CB 3.34Å; Y26-V30 WeakPolarHBondContact O-CG2 3.17Å; Y26-V30 PolarHBondContact O-N 2.81Å
27A86.6Confident88.8Confident48 Ų4877 Ų7740%0.39741%0.409SS..Hα-helixtrans-59.9-47.2177.100000111.7I23 T24 Q29 V30 T31I23-A27 WeakPolarHBondContact O-CB 3.46Å; I23-A27 PolarHBondContact O-N 3.29Å; T24-A27 PolarHBondContact O-N 2.84Å; A27-Q29 PolarHBondContact O-N 3.37Å; A27-V30 PolarHBondContact O-N 3.16Å; A27-T31 WeakPolarHBondContact O-CG2 3.28Å; A27-T31 PolarHBondContact O-N 2.94Å; A27-T31 PolarHBondContact O-OG1 3.36Å
28V88.3Confident88.5Confident73 Ų7372 Ų7244%0.44238%0.383SS..Hα-helixtrans-63.4-41.3177.9170.40000111.9T24 Y25 Y26 V30 T31 N32T24-V28 HydrophobicContact CG2-CG2 4.45Å; T24-V28 VanDerWaalsContact O-CG2 3.32Å; T24-V28 WeakPolarHBondContact O-CG2 3.4Å; T24-V28 PolarHBondContact O-N 2.91Å; Y25-V28 PolarHBondContact O-N 3.48Å; Y26-V28 PolarHBondContact O-N 2.93Å; V28-V30 VanDerWaalsContact C-N 3.34Å; V28-T31 WeakPolarHBondContact CA-OG1 3.46Å; V28-T31 PolarHBondContact O-OG1 3.3Å; V28-N32 WeakPolarHBondContact O-CB 3.49Å; V28-N32 PolarHBondContact O-N 3.02Å; V28-N32 PolarHBondContact O-ND2 2.83Å
29Q85.7Confident88.2Confident87 Ų8769.9 Ų69.941%0.40737%0.372SS..Hα-helixtrans-62.6-44.7175.4-173.5-173.947.100110.7Y25 Y26 A27 T31 N32 D33Y25-Q29 WeakPolarHBondContact O-CB 3.37Å; Y25-Q29 PolarHBondContact O-N 3.49Å; Y26-Q29 PolarHBondContact O-N 3.48Å; A27-Q29 PolarHBondContact O-N 3.37Å; Q29-T31 PolarHBondContact O-N 2.98Å; Q29-N32 PolarHBondContact O-N 3.39Å; Q29-D33 VanDerWaalsContact O-CG 3.29Å; Q29-D33 PolarHBondContact O-N 2.92Å
30V83.8Confident87.8Confident11 Ų1166.6 Ų66.67%0.06737%0.366CS..Hα-helixtrans-63.3-41.9-179.5167.20000111.8Y26 A27 V28 A34 V232Y26-V30 HydrophobicContact CD1-CG2 4.2Å; Y26-V30 HydrophobicContact CD2-CG2 4.21Å; Y26-V30 HydrophobicContact CE1-CG2 3.84Å; Y26-V30 HydrophobicContact CE2-CG2 3.85Å; Y26-V30 HydrophobicContact CG-CG2 4.38Å; Y26-V30 WeakPolarHBondContact O-CB 3.34Å; Y26-V30 WeakPolarHBondContact O-CG2 3.17Å; Y26-V30 PolarHBondContact O-N 2.81Å; A27-V30 PolarHBondContact O-N 3.16Å; V28-V30 VanDerWaalsContact C-N 3.34Å; V30-A34 WeakPolarHBondContact O-CB 3.49Å; V30-A34 PolarHBondContact O-N 2.75Å; V30-A34 VanDerWaalsContact O-N 3.12Å; V30-V232 HydrophobicContact CG1-CB 4.26Å; V30-V232 HydrophobicContact CG1-CG1 3.48Å; V30-V232 VanDerWaalsContact CG1-CG1 3.48Å
31T84.6Confident87.5Confident56 Ų5662.9 Ų62.934%0.34435%0.347SS..Hα-helixtrans-68.4-42.1177.153.70000111.7A27 V28 Q29 D33 A34 S35A27-T31 WeakPolarHBondContact O-CG2 3.28Å; A27-T31 PolarHBondContact O-N 2.94Å; A27-T31 PolarHBondContact O-OG1 3.36Å; V28-T31 WeakPolarHBondContact CA-OG1 3.46Å; V28-T31 PolarHBondContact O-OG1 3.3Å; Q29-T31 PolarHBondContact O-N 2.98Å; T31-D33 PolarHBondContact O-N 2.67Å; T31-A34 PolarHBondContact O-N 2.72Å; T31-S35 WeakPolarHBondContact O-CB 3.48Å; T31-S35 PolarHBondContact O-N 3.39Å
32N86.5Confident87.4Confident86 Ų8665.6 Ų65.646%0.4635%0.345SS..Hα-helixtrans-64.4-40.7179.1-71.9-15000112.3V28 Q29 A34 K36V28-N32 WeakPolarHBondContact O-CB 3.49Å; V28-N32 PolarHBondContact O-N 3.02Å; V28-N32 PolarHBondContact O-ND2 2.83Å; Q29-N32 PolarHBondContact O-N 3.39Å; N32-A34 VanDerWaalsContact C-N 3.35Å; N32-K36 VanDerWaalsContact O-CG 3.3Å; N32-K36 WeakPolarHBondContact O-CG 3.41Å; N32-K36 PolarHBondContact O-N 3.44Å; N32-K36 VanDerWaalsContact O-N 3.09Å
33D84.7Confident87.3Confident59 Ų5967.9 Ų67.932%0.31635%0.345SS..Hα-helixtrans-65.9-39.4175.1-70.7-11.4000111.9Q29 T31 M37 R236Q29-D33 VanDerWaalsContact O-CG 3.29Å; Q29-D33 PolarHBondContact O-N 2.92Å; T31-D33 PolarHBondContact O-N 2.67Å; D33-M37 WeakPolarHBondContact O-CB 3.36Å; D33-M37 PolarHBondContact O-N 2.96Å; D33-M37 VanDerWaalsContact O-N 3.12Å; D33-R236 IonicContact OD2-CZ 3.94Å; D33-R236 IonicContact OD2-NH1 2.76Å; D33-R236 IonicContact OD2-NH2 3.18Å; D33-R236 PolarHBondContact OD2-NH2 2.96Å
34A84.9Confident87.1Confident0 Ų067.8 Ų67.80%035%0.349CS..Hα-helixtrans-65.6-46.6178.800000111.5V30 T31 N32 K36 M37 V38 R236 W252V30-A34 WeakPolarHBondContact O-CB 3.49Å; V30-A34 PolarHBondContact O-N 2.75Å; V30-A34 VanDerWaalsContact O-N 3.12Å; T31-A34 PolarHBondContact O-N 2.72Å; N32-A34 VanDerWaalsContact C-N 3.35Å; A34-K36 PolarHBondContact O-N 3.06Å; A34-M37 PolarHBondContact O-N 2.93Å; A34-V38 PolarHBondContact O-N 3.01Å; A34-R236 HydrophobicContact CB-CG 3.74Å; A34-W252 HydrophobicContact CB-CD2 3.72Å; A34-W252 HydrophobicContact CB-CE3 3.75Å; A34-W252 HydrophobicContact CB-CH2 3.72Å; A34-W252 HydrophobicContact CB-CZ2 3.68Å; A34-W252 HydrophobicContact CB-CZ3 3.76Å
35S86.8Confident86.8Confident47 Ų4765.3 Ų65.333%0.32933%0.334SS..Hα-helixtrans-57.7-48.3175.8167.80000111.8T31 M37 V38 D39T31-S35 WeakPolarHBondContact O-CB 3.48Å; T31-S35 PolarHBondContact O-N 3.39Å; S35-M37 VanDerWaalsContact C-N 3.28Å; S35-M37 PolarHBondContact O-N 3.43Å; S35-V38 PolarHBondContact O-N 3.21Å; S35-D39 PolarHBondContact O-N 3.25Å
36K86.9Confident86.3Confident146 Ų14667 Ų6764%0.63534%0.344SS*.Hα-helixtrans-59.4-37.4176.2-74.6174.4-177.8177.50113.5N32 A34 D39 S40N32-K36 VanDerWaalsContact O-CG 3.3Å; N32-K36 WeakPolarHBondContact O-CG 3.41Å; N32-K36 PolarHBondContact O-N 3.44Å; N32-K36 VanDerWaalsContact O-N 3.09Å; A34-K36 PolarHBondContact O-N 3.06Å; K36-D39 PolarHBondContact O-N 2.76Å; K36-S40 PolarHBondContact O-N 3.33Å
37M85.3Confident86.2Confident16 Ų1662.4 Ų62.48%0.07933%0.326CS..Hα-helixtrans-70.6-43.5177.7179.6177.55700111.3D33 A34 S35 D39 S40 I41 R236 L239 K240 E243D33-M37 WeakPolarHBondContact O-CB 3.36Å; D33-M37 PolarHBondContact O-N 2.96Å; D33-M37 VanDerWaalsContact O-N 3.12Å; A34-M37 PolarHBondContact O-N 2.93Å; S35-M37 VanDerWaalsContact C-N 3.28Å; S35-M37 PolarHBondContact O-N 3.43Å; M37-D39 VanDerWaalsContact C-N 3.26Å; M37-D39 PolarHBondContact O-N 3.38Å; M37-S40 WeakPolarHBondContact O-CB 3.32Å; M37-S40 PolarHBondContact O-N 3.3Å; M37-S40 PolarHBondContact O-OG 3.12Å; M37-I41 PolarHBondContact O-N 3.13Å; M37-R236 HydrophobicContact CE-CB 4.16Å; M37-R236 HydrophobicContact CE-CG 4.22Å; M37-R236 WeakPolarHBondContact CE-O 3.47Å; M37-L239 HydrophobicContact CE-CB 3.36Å; M37-L239 HydrophobicContact CE-CD1 3.98Å; M37-L239 HydrophobicContact CE-CG 4.35Å; M37-L239 HydrophobicContact SD-CB 4.03Å; M37-K240 WeakPolarHBondContact SD-CA 3.36Å; M37-K240 HydrophobicContact SD-CB 3.59Å; M37-K240 VanDerWaalsContact SD-CB 3.59Å; M37-K240 HydrophobicContact SD-CD 3.79Å; M37-K240 HydrophobicContact SD-CG 4.28Å; M37-K240 PolarHBondContact SD-N 3.35Å; M37-K240 VanDerWaalsContact SD-N 3.37Å; M37-E243 HydrophobicContact CG-CG 4.45Å
38V88.3Confident86Confident1 Ų166 Ų661%0.00634%0.343CS..Hα-helixtrans-59.1-40.6172.8174.30000110.6A34 S35 S40 I41 R42 L239 L250 W252 M255A34-V38 PolarHBondContact O-N 3.01Å; S35-V38 PolarHBondContact O-N 3.21Å; V38-S40 PolarHBondContact O-N 3.2Å; V38-S40 VanDerWaalsContact O-N 3.13Å; V38-I41 CarbonylContact O-C 3.54Å; V38-I41 PolarHBondContact O-N 2.84Å; V38-R42 VanDerWaalsContact O-CB 3.25Å; V38-R42 WeakPolarHBondContact O-CB 3.3Å; V38-R42 PolarHBondContact O-N 3.49Å; V38-L239 HydrophobicContact CG2-CD1 3.66Å; V38-L250 WeakPolarHBondContact CG1-O 3.33Å; V38-W252 HydrophobicContact CB-CB 4.2Å; V38-W252 HydrophobicContact CG2-CB 3.97Å; V38-W252 HydrophobicContact CG2-CE3 3.8Å; V38-M255 HydrophobicContact CG1-CE 4.15Å; V38-M255 HydrophobicContact CG2-SD 4.1Å
39D87.4Confident85.9Confident77 Ų7763.6 Ų63.641%0.41233%0.33SS..Hα-helixtrans-59.8-24.1175.9-80.5-36.4000113.8S35 K36 M37 R42S35-D39 PolarHBondContact O-N 3.25Å; K36-D39 PolarHBondContact O-N 2.76Å; M37-D39 VanDerWaalsContact C-N 3.26Å; M37-D39 PolarHBondContact O-N 3.38Å; D39-R42 IonicContact OD1-CZ 2.65Å; D39-R42 IonicContact OD1-NE 3.21Å; D39-R42 PolarHBondContact OD1-NE 2.64Å; D39-R42 IonicContact OD1-NH2 2.72Å; D39-R42 PolarHBondContact OD1-NH2 2.88Å
40S85.4Confident85.8Confident67 Ų6764.1 Ų64.147%0.46934%0.335SS..Hα-helixtrans-77.9-26.8174.7790000113.5K36 M37 V38 E243K36-S40 PolarHBondContact O-N 3.33Å; M37-S40 WeakPolarHBondContact O-CB 3.32Å; M37-S40 PolarHBondContact O-N 3.3Å; M37-S40 PolarHBondContact O-OG 3.12Å; V38-S40 PolarHBondContact O-N 3.2Å; V38-S40 VanDerWaalsContact O-N 3.13Å; S40-E243 VanDerWaalsContact OG-CG 3.23Å; S40-E243 WeakPolarHBondContact OG-CG 3.48Å; S40-E243 PolarHBondContact OG-OE1 3.47Å
41I86.7Confident86.1Confident2 Ų267.2 Ų67.21%0.0135%0.347CS..Hα-helixtrans-88.2-25.9175.7-58.5172000109.9M37 V38 Q43 L239 E243 M246 K247 T248M37-I41 PolarHBondContact O-N 3.13Å; V38-I41 CarbonylContact O-C 3.54Å; V38-I41 PolarHBondContact O-N 2.84Å; I41-Q43 PolarHBondContact O-N 2.93Å; I41-L239 HydrophobicContact CD1-CB 4.38Å; I41-L239 HydrophobicContact CD1-CD2 4.27Å; I41-E243 HydrophobicContact CD1-CB 4.35Å; I41-E243 HydrophobicContact CD1-CG 4.49Å; I41-E243 HydrophobicContact CG1-CB 4.35Å; I41-E243 HydrophobicContact CG1-CG 4.14Å; I41-M246 HydrophobicContact CD1-CE 4.25Å; I41-M246 HydrophobicContact CG2-CB 4.33Å; I41-M246 HydrophobicContact CG2-CE 3.65Å; I41-M246 HydrophobicContact CG2-CG 4.33Å; I41-M246 WeakPolarHBondContact CG2-O 3.43Å; I41-K247 WeakPolarHBondContact O-CA 3.23Å; I41-T248 HydrophobicContact CG2-CG2 4.09Å; I41-T248 PolarHBondContact O-N 3.35Å
42R91.3Very high86.2Confident95 Ų9567.1 Ų67.136%0.35834%0.341SS..BIsolated β-bridgetrans-74.3119-172.8-165.6171.26799.62.5110.6V38 D39 T44 T248V38-R42 VanDerWaalsContact O-CB 3.25Å; V38-R42 WeakPolarHBondContact O-CB 3.3Å; V38-R42 PolarHBondContact O-N 3.49Å; D39-R42 IonicContact OD1-CZ 2.65Å; D39-R42 IonicContact OD1-NE 3.21Å; D39-R42 PolarHBondContact OD1-NE 2.64Å; D39-R42 IonicContact OD1-NH2 2.72Å; D39-R42 PolarHBondContact OD1-NH2 2.88Å; R42-T44 PolarHBondContact NH1-OG1 3.09Å; R42-T248 CarbonylContact C-O 3.47Å; R42-T248 WeakPolarHBondContact CA-O 3.42Å
43Q90.5Very high85.8Confident90 Ų9072.6 Ų72.642%0.42136%0.363SS..  trans-124.5100170.4177.4175.6-000108.6I41 V45 Y149 K247 T248I41-Q43 PolarHBondContact O-N 2.93Å; Q43-V45 PolarHBondContact O-N 3.12Å; Q43-Y149 WeakPolarHBondContact CB-OH 3.47Å; Q43-Y149 PolarHBondContact O-OH 3.47Å; Q43-K247 VanDerWaalsContact OE1-CD 3.23Å; Q43-K247 VanDerWaalsContact OE1-CE 3.27Å; Q43-T248 PolarHBondContact N-O 3.23Å
44T86.9Confident85.6Confident88 Ų8873 Ų7354%0.5438%0.382SS..  trans-65.9124.4174.9-55.40000110.1R42R42-T44 PolarHBondContact NH1-OG1 3.09Å
45V84Confident85.6Confident24 Ų2480.2 Ų80.215%0.14542%0.42CS..  trans-91.2115.5171.1179.40000107.9Q43 R47 V131 K132 Y149Q43-V45 PolarHBondContact O-N 3.12Å; V45-R47 VanDerWaalsContact C-N 3.32Å; V45-R47 HydrophobicContact CG1-CB 4.22Å; V45-R47 HydrophobicContact CG1-CG 4.42Å; V45-R47 PolarHBondContact O-N 3.01Å; V45-V131 HydrophobicContact CG2-CB 4.35Å; V45-V131 HydrophobicContact CG2-CG1 4.03Å; V45-K132 HydrophobicContact CG1-CB 3.57Å; V45-K132 HydrophobicContact CG1-CD 4.3Å; V45-K132 HydrophobicContact CG1-CG 3.69Å; V45-Y149 HydrophobicContact CG2-CD1 4.39Å; V45-Y149 HydrophobicContact CG2-CE1 3.7Å
46K81.6Confident85.6Confident196 Ų19683.2 Ų83.285%0.85243%0.427SS*.  trans-68.491.9170.9-69-175.9-179.1179.50108.8
47R84Confident85.8Confident41 Ų4176.8 Ų76.816%0.15540%0.4CS..  trans-138.4149.2173.278-178.1-71.4-100.42110.6V45 K132 D136 E139 L146V45-R47 VanDerWaalsContact C-N 3.32Å; V45-R47 HydrophobicContact CG1-CB 4.22Å; V45-R47 HydrophobicContact CG1-CG 4.42Å; V45-R47 PolarHBondContact O-N 3.01Å; R47-K132 HydrophobicContact CB-CG 4.48Å; R47-D136 IonicContact CZ-OD1 2.86Å; R47-D136 VanDerWaalsContact CZ-OD1 3.25Å; R47-D136 IonicContact NE-OD1 2.98Å; R47-D136 PolarHBondContact NE-OD1 2.94Å; R47-D136 IonicContact NH2-OD1 3.25Å; R47-D136 PolarHBondContact NH2-OD1 3.06Å; R47-E139 IonicContact CZ-OE2 3.58Å; R47-E139 VanDerWaalsContact CZ-OE2 3.27Å; R47-E139 IonicContact NH1-OE2 2.86Å; R47-E139 PolarHBondContact NH1-OE2 3.43Å; R47-E139 IonicContact NH2-OE1 2.75Å; R47-E139 PolarHBondContact NH2-OE1 2.78Å; R47-E139 IonicContact NH2-OE2 3.46Å; R47-E139 PolarHBondContact NH2-OE2 3.23Å; R47-L146 PolarHBondContact NH1-O 2.96Å
48T82.4Confident86.1Confident123 Ų12379 Ų7976%0.75541%0.413SS*.  trans-101.9131.2159.9-54.90000106.6L50T48-L50 PolarHBondContact O-N 2.94Å
49S86.1Confident86.3Confident24 Ų2479.1 Ų79.117%0.16841%0.413CS..  trans-59.8131172.7172.30000109.5K51 R52 E139 P145S49-K51 PolarHBondContact OG-N 3.22Å; S49-R52 PolarHBondContact OG-N 3.37Å; S49-R52 VanDerWaalsContact OG-N 3.12Å; S49-E139 VanDerWaalsContact C-OE1 3.22Å; S49-E139 VanDerWaalsContact CA-OE1 3.23Å; S49-E139 WeakPolarHBondContact CA-OE1 3.4Å; S49-E139 WeakPolarHBondContact CB-OE1 3.19Å; S49-E139 VanDerWaalsContact OG-CD 3.22Å; S49-E139 PolarHBondContact OG-OE1 3.36Å; S49-E139 PolarHBondContact OG-OE2 3.03Å; S49-P145 WeakPolarHBondContact OG-CB 3.37Å
50L85Confident86.4Confident98 Ų9880 Ų8051%0.51342%0.418SS..SBendtrans-70.9-16.9171.1-55.4178.3000112.7T48 V114 D136 E139T48-L50 PolarHBondContact O-N 2.94Å; L50-V114 HydrophobicContact CD1-CG1 4.08Å; L50-D136 HydrophobicContact CD1-CB 4.34Å; L50-E139 WeakPolarHBondContact CA-OE1 3.23Å; L50-E139 PolarHBondContact N-OE1 3.09Å
51K89.3Confident86.7Confident76 Ų7681.7 Ų81.733%0.3342%0.422SS..SBendtrans-120.57.3-173.7-56.8-62.8179.61700114.7S49 E139 D143 P145S49-K51 PolarHBondContact OG-N 3.22Å; K51-E139 HydrophobicContact CB-CG 3.9Å; K51-E139 HydrophobicContact CG-CG 3.38Å; K51-E139 PolarHBondContact N-OE1 3.2Å; K51-D143 VanDerWaalsContact CD-OD1 3.32Å; K51-D143 WeakPolarHBondContact CD-OD1 3.44Å; K51-D143 VanDerWaalsContact CE-OD1 3.22Å; K51-D143 WeakPolarHBondContact CE-OD1 3.4Å; K51-D143 IonicContact NZ-OD1 2.72Å; K51-D143 PolarHBondContact NZ-OD1 2.99Å; K51-P145 HydrophobicContact CB-CB 4.46Å
52R87.2Confident87Confident54 Ų5482.9 Ų82.920%0.20443%0.432CS..  trans-121.9128.2172.8-171172.9-68.7-83.94.2110.6S49 D55 P57 P145 D147S49-R52 PolarHBondContact OG-N 3.37Å; S49-R52 VanDerWaalsContact OG-N 3.12Å; R52-D55 VanDerWaalsContact CD-O 3.27Å; R52-D55 WeakPolarHBondContact CD-O 3.37Å; R52-P57 VanDerWaalsContact NH2-CG 3.26Å; R52-P145 HydrophobicContact CB-CB 3.8Å; R52-P145 HydrophobicContact CB-CG 4.35Å; R52-D147 IonicContact CZ-OD1 2.9Å; R52-D147 VanDerWaalsContact CZ-OD1 3.25Å; R52-D147 IonicContact NE-OD1 2.8Å; R52-D147 PolarHBondContact NE-OD1 3.35Å; R52-D147 IonicContact NH2-OD1 3.1Å; R52-D147 PolarHBondContact NH2-OD1 3.06Å; R52-D147 IonicContact NH2-OD2 3Å; R52-D147 PolarHBondContact NH2-OD2 3.43Å; R52-D147 VanDerWaalsContact NH2-OD2 3.1Å
53E78.1Confident87.2Confident200 Ų20081.8 Ų81.894%0.93543%0.431SS*.  trans-88.4125.9164.5-62.8-176176.800108.6
54G80.3Confident87.6Confident68 Ų6878.1 Ų78.170%0.70142%0.415SS*.SBendtrans90.1-157.6177.800000115.1
55D83.5Confident88.1Confident151 Ų15174 Ų7481%0.80739%0.389SS*.SBendtrans-76159.1-171-63.8-40000113R52R52-D55 VanDerWaalsContact CD-O 3.27Å; R52-D55 WeakPolarHBondContact CD-O 3.37Å
56K87.2Confident88.7Confident110 Ų11072.8 Ų72.848%0.47838%0.382SS..PPolyproline II helixtrans-59.3151171.1-70.5-167.6175.5-1580110.5D147 D249K56-D147 PolarHBondContact NZ-O 3.41Å; K56-D249 IonicContact NZ-OD2 3.06Å; K56-D249 PolarHBondContact NZ-OD2 3.42Å
57P91.2Very high89.5Confident11 Ų1164.2 Ų64.27%0.07135%0.346CS..PPolyproline II helixtrans-54140.8174.6-24.834.7000112R52 I59 E63 F65 D147R52-P57 VanDerWaalsContact NH2-CG 3.26Å; P57-I59 PolarHBondContact O-N 3Å; P57-E63 WeakPolarHBondContact CA-OE2 3.32Å; P57-E63 HydrophobicContact CB-CB 4.04Å; P57-F65 HydrophobicContact CB-CB 3.99Å; P57-F65 HydrophobicContact CG-CB 3.94Å; P57-D147 VanDerWaalsContact CD-OD1 3.27Å; P57-D147 WeakPolarHBondContact CD-OD1 3.34Å; P57-D147 HydrophobicContact CG-CB 4.43Å
58N91.3Very high90.2Very high63 Ų6362.4 Ų62.434%0.33734%0.339SS..  trans-85.2108.5174.2-175.4-44.8000109.8D60 N61 E63N58-D60 WeakPolarHBondContact OD1-CA 3.5Å; N58-D60 VanDerWaalsContact OD1-CB 3.3Å; N58-D60 WeakPolarHBondContact OD1-CB 3.43Å; N58-D60 PolarHBondContact OD1-N 2.93Å; N58-N61 HydrophobicContact CB-CB 4.03Å; N58-N61 PolarHBondContact ND2-ND2 3.23Å; N58-N61 PolarHBondContact O-N 2.96Å; N58-N61 PolarHBondContact OD1-N 3.06Å; N58-E63 PolarHBondContact N-OE2 3.39Å; N58-E63 WeakPolarHBondContact O-CB 3.47Å; N58-E63 PolarHBondContact O-N 3.12Å
59I92.8Very high91Very high4 Ų458.3 Ų58.32%0.02131%0.312CS..THydrogen-bonded Turntrans-64.7-41.8-179.5-65.9179.6000110.6P57 N61 A62 F65 L250 D254 D257 I258 Y262P57-I59 PolarHBondContact O-N 3Å; I59-N61 PolarHBondContact O-N 3.36Å; I59-A62 PolarHBondContact O-N 3.24Å; I59-F65 HydrophobicContact CG1-CD1 4.4Å; I59-L250 HydrophobicContact CD1-CD2 4.08Å; I59-D254 HydrophobicContact CD1-CB 3.83Å; I59-D257 HydrophobicContact CG2-CB 3.75Å; I59-I258 HydrophobicContact CD1-CD1 4.35Å; I59-I258 HydrophobicContact CG2-CG1 3.98Å; I59-Y262 WeakPolarHBondContact CA-OH 3.37Å; I59-Y262 HydrophobicContact CB-CE2 4.48Å; I59-Y262 HydrophobicContact CG2-CD2 4.38Å; I59-Y262 HydrophobicContact CG2-CE2 3.64Å; I59-Y262 VanDerWaalsContact O-CE2 3.24Å; I59-Y262 WeakPolarHBondContact O-CE2 3.47Å; I59-Y262 PolarHBondContact O-OH 3.04Å
60D90.2Very high91.5Very high95 Ų9557.4 Ų57.451%0.50831%0.306SS..THydrogen-bonded Turntrans-56.6-35.9176.9-486.5000112N58 A62N58-D60 WeakPolarHBondContact OD1-CA 3.5Å; N58-D60 VanDerWaalsContact OD1-CB 3.3Å; N58-D60 WeakPolarHBondContact OD1-CB 3.43Å; N58-D60 PolarHBondContact OD1-N 2.93Å; D60-A62 PolarHBondContact O-N 3.47Å
61N91.4Very high92Very high103 Ų10353.3 Ų53.355%0.55129%0.288SS*.THydrogen-bonded Turntrans-81.47.6177.8-70.8-21.1000114.1N58 I59 E63N58-N61 HydrophobicContact CB-CB 4.03Å; N58-N61 PolarHBondContact ND2-ND2 3.23Å; N58-N61 PolarHBondContact O-N 2.96Å; N58-N61 PolarHBondContact OD1-N 3.06Å; I59-N61 PolarHBondContact O-N 3.36Å; N61-E63 HydrophobicContact CB-CG 4.13Å; N61-E63 PolarHBondContact O-N 3.32Å
62A93.3Very high92.2Very high26 Ų2649.7 Ų49.722%0.21527%0.272CS..THydrogen-bonded Turntrans55.937.4-178.600000112.9I59 D60 P95 Y262I59-A62 PolarHBondContact O-N 3.24Å; D60-A62 PolarHBondContact O-N 3.47Å; A62-P95 HydrophobicContact CB-CG 3.77Å; A62-P95 VanDerWaalsContact O-CG 3.24Å; A62-P95 WeakPolarHBondContact O-CG 3.37Å; A62-Y262 VanDerWaalsContact C-OH 3.25Å; A62-Y262 VanDerWaalsContact CA-OH 3.29Å; A62-Y262 WeakPolarHBondContact CA-OH 3.41Å
63E95.9Very high92.1Very high72 Ų7249.4 Ų49.434%0.33628%0.275SS..  trans-75.5144175.6-67-177.1173.100111.7P57 N58 N61 F65 Y262P57-E63 WeakPolarHBondContact CA-OE2 3.32Å; P57-E63 HydrophobicContact CB-CB 4.04Å; N58-E63 PolarHBondContact N-OE2 3.39Å; N58-E63 WeakPolarHBondContact O-CB 3.47Å; N58-E63 PolarHBondContact O-N 3.12Å; N61-E63 HydrophobicContact CB-CG 4.13Å; N61-E63 PolarHBondContact O-N 3.32Å; E63-F65 PolarHBondContact O-N 3.48Å; E63-Y262 PolarHBondContact N-OH 2.88Å; E63-Y262 WeakPolarHBondContact O-CE1 3.37Å; E63-Y262 PolarHBondContact O-OH 2.96Å
64P97.3Very high91.9Very high14 Ų1440.5 Ų40.59%0.09123%0.234CC..  trans-63.9137.2176-19.632.5000111.6I93 N94 L305 D306P64-I93 VanDerWaalsContact CA-O 3.29Å; P64-I93 WeakPolarHBondContact CA-O 3.28Å; P64-N94 HydrophobicContact CB-CB 4.18Å; P64-N94 HydrophobicContact CG-CB 4.34Å; P64-N94 VanDerWaalsContact CG-ND2 3.26Å; P64-N94 WeakPolarHBondContact CG-ND2 3.45Å; P64-L305 HydrophobicContact CB-CD2 4.38Å; P64-D306 WeakPolarHBondContact CG-OD2 3.5Å
65F97.5Very high90.9Very high0 Ų039.3 Ų39.30%022%0.221CC..EExtended strand (participates in β ladder)trans-144.2167.3-179.973.8-84.2000111.6P57 I59 E63 I67 I93 D147 H148 I258 Y262 L305P57-F65 HydrophobicContact CB-CB 3.99Å; P57-F65 HydrophobicContact CG-CB 3.94Å; I59-F65 HydrophobicContact CG1-CD1 4.4Å; E63-F65 PolarHBondContact O-N 3.48Å; F65-I67 HydrophobicContact CD2-CD1 4.49Å; F65-I67 HydrophobicContact CD2-CG1 3.92Å; F65-I67 HydrophobicContact CE2-CD1 3.56Å; F65-I67 HydrophobicContact CE2-CG1 3.47Å; F65-I67 VanDerWaalsContact CE2-CG1 3.47Å; F65-I67 HydrophobicContact CZ-CD1 4.23Å; F65-I93 HydrophobicContact CD1-CB 4.44Å; F65-I93 HydrophobicContact CE1-CB 4.09Å; F65-I93 HydrophobicContact CE1-CD1 4.15Å; F65-I93 HydrophobicContact CE1-CG2 4.29Å; F65-I93 HydrophobicContact CE2-CD1 3.89Å; F65-I93 HydrophobicContact CZ-CB 4.35Å; F65-I93 HydrophobicContact CZ-CD1 3.53Å; F65-I93 HydrophobicContact CZ-CG1 4.46Å; F65-I93 PolarHBondContact N-O 3.49Å; F65-I93 PolarHBondContact O-N 3.29Å; F65-D147 VanDerWaalsContact CA-OD2 3.3Å; F65-D147 WeakPolarHBondContact CA-OD2 3.42Å; F65-D147 HydrophobicContact CB-CB 4.33Å; F65-H148 AromaticContact CD2-CD2 3.86Å; F65-I258 HydrophobicContact CE1-CD1 4.48Å; F65-I258 HydrophobicContact CE1-CG1 4.21Å; F65-I258 HydrophobicContact CE2-CD1 4.17Å; F65-I258 HydrophobicContact CZ-CD1 3.58Å; F65-I258 HydrophobicContact CZ-CG1 3.74Å; F65-Y262 HydrophobicContact CD1-CD1 4.43Å; F65-Y262 AromaticContact CD1-CE1 3.63Å; F65-Y262 HydrophobicContact CD1-CE1 3.63Å; F65-Y262 AromaticContact CD1-CZ 3.88Å; F65-Y262 AromaticContact CE1-CD1 3.8Å; F65-Y262 HydrophobicContact CE1-CD1 3.8Å; F65-Y262 AromaticContact CE1-CE1 3.39Å; F65-Y262 HydrophobicContact CE1-CE1 3.39Å; F65-Y262 HydrophobicContact CE1-CE2 4.31Å; F65-Y262 HydrophobicContact CE1-CG 4.38Å; F65-Y262 AromaticContact CE1-CZ 3.68Å; F65-L305 VanDerWaalsContact C-CD2 3.44Å; F65-L305 WeakPolarHBondContact O-CD2 3.4Å
66S98.2Very high89.8Confident0 Ų034.1 Ų34.10%019%0.193CC..EExtended strand (participates in β ladder)trans-120.7150.9179.465.60000113.2V91 P145 L146 D147 H148S66-V91 CarbonylContact C-O 3.59Å; S66-V91 WeakPolarHBondContact CA-O 3.48Å; S66-P145 WeakPolarHBondContact CB-O 3.39Å; S66-P145 PolarHBondContact OG-O 2.84Å; S66-L146 VanDerWaalsContact OG-CA 3.25Å; S66-L146 WeakPolarHBondContact OG-CA 3.5Å; S66-D147 PolarHBondContact N-OD2 3.05Å; S66-D147 PolarHBondContact O-N 2.94Å; S66-D147 PolarHBondContact OG-N 3.24Å; S66-D147 PolarHBondContact OG-OD2 3.48Å; S66-H148 PolarHBondContact O-N 3.08Å
67I98Very high88.3Confident16 Ų1630 Ų308%0.08218%0.176CC..EExtended strand (participates in β ladder)trans-132.3131.1176.4-46.2-178.9000109.4F65 L69 V91 I93 H148 V150F65-I67 HydrophobicContact CD2-CD1 4.49Å; F65-I67 HydrophobicContact CD2-CG1 3.92Å; F65-I67 HydrophobicContact CE2-CD1 3.56Å; F65-I67 HydrophobicContact CE2-CG1 3.47Å; F65-I67 VanDerWaalsContact CE2-CG1 3.47Å; F65-I67 HydrophobicContact CZ-CD1 4.23Å; I67-L69 HydrophobicContact CG2-CD2 3.86Å; I67-V91 PolarHBondContact N-O 3.45Å; I67-V91 PolarHBondContact O-N 3Å; I67-I93 HydrophobicContact CD1-CD1 3.79Å; I67-I93 HydrophobicContact CG1-CD1 4.26Å; I67-H148 WeakPolarHBondContact CA-O 3.32Å; I67-H148 HydrophobicContact CG1-CB 4.24Å; I67-H148 HydrophobicContact CG2-CB 4.34Å; I67-V150 HydrophobicContact CG2-CG2 4.18Å
68L98.4Very high86.6Confident2 Ų232.8 Ų32.81%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-83.1119.8161.6173.261.3000110.1V90 M135 I138 L146 H148 Y149 V150L68-V90 HydrophobicContact CD1-CG2 4.35Å; L68-M135 HydrophobicContact CD2-CG 3.72Å; L68-I138 HydrophobicContact CD1-CD1 3.5Å; L68-I138 HydrophobicContact CD2-CD1 3.95Å; L68-I138 HydrophobicContact CG-CD1 4.38Å; L68-L146 HydrophobicContact CB-CD1 4.21Å; L68-H148 PolarHBondContact N-O 3.13Å; L68-Y149 CarbonylContact O-C 3.47Å; L68-Y149 WeakPolarHBondContact O-CA 3.36Å; L68-V150 PolarHBondContact O-N 2.98Å
69L98.3Very high85Confident37 Ų3737 Ų3719%0.19422%0.219CC..EExtended strand (participates in β ladder)trans-96.6120.4166.5-52.1-178.1000108.8I67 M88 M89 V91 V150 V219I67-L69 HydrophobicContact CG2-CD2 3.86Å; L69-M88 WeakPolarHBondContact O-CA 3.46Å; L69-M89 HydrophobicContact CB-CB 4.27Å; L69-M89 PolarHBondContact N-O 3.07Å; L69-M89 PolarHBondContact O-N 3.14Å; L69-V91 HydrophobicContact CD1-CG2 3.59Å; L69-V91 HydrophobicContact CG-CG2 3.89Å; L69-V150 CarbonylContact C-O 3.5Å; L69-V150 WeakPolarHBondContact CA-O 3.4Å; L69-V150 HydrophobicContact CD2-CB 3.85Å; L69-V150 HydrophobicContact CD2-CG2 4.2Å; L69-V219 HydrophobicContact CD1-CG1 3.63Å
70A97.1Very high83.4Confident6 Ų642.2 Ų42.25%0.0526%0.256CS..EExtended strand (participates in β ladder)trans-121.4115.6-179.400000110.9S87 V150 S151 I152A70-S87 CarbonylContact C-O 3.57Å; A70-S87 WeakPolarHBondContact CA-O 3.4Å; A70-V150 PolarHBondContact N-O 3.49Å; A70-S151 CarbonylContact O-C 3.52Å; A70-S151 WeakPolarHBondContact O-CA 3.36Å; A70-I152 PolarHBondContact O-N 2.68Å
71G95.6Very high82.4Confident12 Ų1243.5 Ų43.512%0.12426%0.262CS..EExtended strand (participates in β ladder)trans-87120.2166.900000109.8S85 D86 S87 I152G71-S85 CarbonylContact O-C 3.6Å; G71-S85 WeakPolarHBondContact O-CA 3.43Å; G71-D86 PolarHBondContact O-N 3.01Å; G71-S87 PolarHBondContact N-O 3.33Å; G71-S87 PolarHBondContact O-N 3.42Å; G71-I152 WeakPolarHBondContact CA-O 3.23Å
72V92.9Very high81.3Confident0 Ų042.7 Ų42.70%026%0.255CS..EExtended strand (participates in β ladder)trans-113.7144.6-174.8-55.10000112T74 L77 R84 Y126 I152 N153 M154V72-T74 VanDerWaalsContact C-N 3.27Å; V72-T74 WeakPolarHBondContact CG2-OG1 3.48Å; V72-T74 PolarHBondContact O-N 2.96Å; V72-L77 HydrophobicContact CG2-CD2 3.74Å; V72-R84 WeakPolarHBondContact CA-O 3.35Å; V72-Y126 HydrophobicContact CB-CE1 4.01Å; V72-Y126 HydrophobicContact CG1-CD1 4.14Å; V72-Y126 HydrophobicContact CG1-CD2 4.36Å; V72-Y126 HydrophobicContact CG1-CE1 3.56Å; V72-Y126 HydrophobicContact CG1-CE2 3.85Å; V72-Y126 VanDerWaalsContact CG1-CZ 3.45Å; V72-I152 PolarHBondContact N-O 3.36Å; V72-N153 HydrophobicContact CG2-CB 3.94Å; V72-N153 WeakPolarHBondContact O-CA 3.49Å; V72-M154 WeakPolarHBondContact O-CE 3.17Å
73D85.9Confident80.8Confident48 Ų4842.3 Ų42.326%0.25725%0.254SS..  trans-90.234.6-176.570.5-8.6000113.4G83 R84D73-G83 VanDerWaalsContact OD1-CA 3.23Å; D73-G83 WeakPolarHBondContact OD1-CA 3.46Å; D73-R84 PolarHBondContact N-O 3.27Å; D73-R84 VanDerWaalsContact N-O 3.09Å; D73-R84 PolarHBondContact OD1-N 2.85Å
74T74.5Confident80.4Confident13 Ų1339.9 Ų39.98%0.0824%0.242CC..  trans-100145.7179.759.50000112.3V72 D81 Q82 N153V72-T74 VanDerWaalsContact C-N 3.27Å; V72-T74 WeakPolarHBondContact CG2-OG1 3.48Å; V72-T74 PolarHBondContact O-N 2.96Å; T74-D81 VanDerWaalsContact CG2-O 3.22Å; T74-D81 WeakPolarHBondContact CG2-O 3.43Å; T74-Q82 WeakPolarHBondContact CG2-O 3.19Å; T74-N153 VanDerWaalsContact O-CB 3.29Å; T74-N153 WeakPolarHBondContact O-CB 3.45Å; T74-N153 PolarHBondContact O-ND2 2.93Å
75G59.1Low79.9Confident42 Ų4239.3 Ų39.343%0.43324%0.238SC..SBendtrans-68.6-40.6-17800000114.3N153G75-N153 PolarHBondContact O-ND2 3.04Å
76D59Low79.4Confident42 Ų4241.2 Ų41.223%0.22525%0.248CC..SBendtrans-148.6130.5175.2-67.4-57.9000108.9G78 R79 R155D76-G78 PolarHBondContact O-N 3.09Å; D76-R79 HydrophobicContact CB-CG 4.38Å; D76-R79 PolarHBondContact O-N 2.83Å; D76-R79 IonicContact OD2-CZ 2.9Å; D76-R79 IonicContact OD2-NE 3.53Å; D76-R79 IonicContact OD2-NH1 3.64Å; D76-R79 PolarHBondContact OD2-NH1 3.21Å; D76-R155 IonicContact OD1-CZ 2.98Å; D76-R155 IonicContact OD1-NH1 2.96Å; D76-R155 PolarHBondContact OD1-NH1 3.38Å; D76-R155 IonicContact OD2-NH1 2.67Å
77L56.9Low79.2Confident23 Ų2342.1 Ų42.112%0.1225%0.254CS..THydrogen-bonded Turntrans-69.574179.6-73178.4000111.1V72 N245 K247V72-L77 HydrophobicContact CG2-CD2 3.74Å; L77-N245 VanDerWaalsContact CD1-C 3.41Å; L77-N245 WeakPolarHBondContact CD1-O 3.33Å; L77-K247 HydrophobicContact CB-CD 4.09Å; L77-K247 HydrophobicContact CB-CG 4.45Å; L77-K247 HydrophobicContact CD1-CB 4.35Å; L77-K247 HydrophobicContact CD1-CD 4.04Å; L77-K247 HydrophobicContact CD1-CG 3.85Å; L77-K247 HydrophobicContact CD2-CD 4.47Å; L77-K247 HydrophobicContact CG-CD 4.46Å; L77-K247 WeakPolarHBondContact O-CE 3.43Å
78G54.6Low79.1Confident71 Ų7141.5 Ų41.573%0.73225%0.251SS*.THydrogen-bonded Turntrans166.8-8-174.700000114.5D76D76-G78 PolarHBondContact O-N 3.09Å
79R58.4Low79.1Confident152 Ų15241.5 Ų41.557%0.57425%0.251SS*.SBendtrans-81.2160.5167.1-70.3-179.7155.6154.3-16.7110.6D76 D81D76-R79 HydrophobicContact CB-CG 4.38Å; D76-R79 PolarHBondContact O-N 2.83Å; D76-R79 IonicContact OD2-CZ 2.9Å; D76-R79 IonicContact OD2-NE 3.53Å; D76-R79 IonicContact OD2-NH1 3.64Å; D76-R79 PolarHBondContact OD2-NH1 3.21Å; R79-D81 PolarHBondContact O-N 3.09Å
80S58.5Low79.1Confident113 Ų11339.8 Ų39.879%0.7924%0.242SC*.SBendtrans-63.1-23.3-174.251.60000114.3Q82S80-Q82 PolarHBondContact O-N 3.33Å; S80-Q82 VanDerWaalsContact O-N 3.14Å
81D69Low79.2Confident121 Ų12139.9 Ų39.965%0.64724%0.242SC*.  trans-81.2103.7-173.3-59.5-11.3000109.1T74 R79 G83T74-D81 VanDerWaalsContact CG2-O 3.22Å; T74-D81 WeakPolarHBondContact CG2-O 3.43Å; R79-D81 PolarHBondContact O-N 3.09Å; D81-G83 PolarHBondContact O-N 2.97Å
82Q69.1Low79.3Confident86 Ų8639.3 Ų39.340%0.40224%0.236SC..  trans-66.4-22.6-176-167.9158.8-34.200112.7T74 S80 Y126 A127T74-Q82 WeakPolarHBondContact CG2-O 3.19Å; S80-Q82 PolarHBondContact O-N 3.33Å; S80-Q82 VanDerWaalsContact O-N 3.14Å; Q82-Y126 HydrophobicContact CG-CE1 4.48Å; Q82-Y126 WeakPolarHBondContact CG-O 3.28Å; Q82-Y126 PolarHBondContact NE2-O 3.07Å; Q82-Y126 WeakPolarHBondContact O-CD1 3.39Å; Q82-Y126 WeakPolarHBondContact O-CE1 3.28Å; Q82-A127 PolarHBondContact NE2-O 3.31Å
83G83.6Confident79.6Confident18 Ų1839.5 Ų39.519%0.18624%0.237CC..  trans58.9-160.917900000113.6D73 D81 A127D73-G83 VanDerWaalsContact OD1-CA 3.23Å; D73-G83 WeakPolarHBondContact OD1-CA 3.46Å; D81-G83 PolarHBondContact O-N 2.97Å; G83-A127 WeakPolarHBondContact O-CA 3.4Å; G83-A127 WeakPolarHBondContact O-CB 3.5Å
84R85.6Confident80.1Confident22 Ų2237.2 Ų37.28%0.08323%0.225CC..  trans-127.8156.4179.2-71.4170.2165.7134.3-15.7110.5V72 D73 D86 H124 A127 Y380 D382V72-R84 WeakPolarHBondContact CA-O 3.35Å; D73-R84 PolarHBondContact N-O 3.27Å; D73-R84 VanDerWaalsContact N-O 3.09Å; D73-R84 PolarHBondContact OD1-N 2.85Å; R84-D86 PolarHBondContact O-N 3.48Å; R84-H124 PolarHBondContact NE-NE2 2.9Å; R84-H124 PolarHBondContact NH2-NE2 3.37Å; R84-A127 HydrophobicContact CG-CB 4.07Å; R84-Y380 VanDerWaalsContact CZ-OH 3.31Å; R84-Y380 PolarHBondContact NH1-OH 3.36Å; R84-Y380 VanDerWaalsContact NH1-OH 3.13Å; R84-D382 IonicContact CZ-OD1 2.74Å; R84-D382 IonicContact NH1-OD1 3.95Å; R84-D382 PolarHBondContact NH1-OD1 2.89Å; R84-D382 IonicContact NH2-OD1 3.19Å; R84-D382 PolarHBondContact NH2-OD1 3.2Å; R84-D382 IonicContact NH2-OD2 2.77Å; R84-D382 PolarHBondContact NH2-OD2 3.44Å
85S87.2Confident81.1Confident1 Ų137.1 Ų37.11%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-92.791.7169.856.50000110.5G71 S87 M88 N123 Y126G71-S85 CarbonylContact O-C 3.6Å; G71-S85 WeakPolarHBondContact O-CA 3.43Å; S85-S87 VanDerWaalsContact C-N 3.27Å; S85-S87 PolarHBondContact O-N 2.81Å; S85-M88 PolarHBondContact OG-SD 3.06Å; S85-N123 WeakPolarHBondContact O-CB 3.49Å; S85-Y126 WeakPolarHBondContact OG-CB 3.35Å
86D87.4Confident82.8Confident40 Ų4041.8 Ų41.821%0.21423%0.233CC..EExtended strand (participates in β ladder)trans-74.5-15.9-178.6-85.8-34.9000114.4G71 R84 R107G71-D86 PolarHBondContact O-N 3.01Å; R84-D86 PolarHBondContact O-N 3.48Å; D86-R107 IonicContact OD1-NH1 2.92Å; D86-R107 PolarHBondContact OD1-NH1 3.1Å
87S93.1Very high84.6Confident19 Ų1943.6 Ų43.613%0.13324%0.24CC..EExtended strand (participates in β ladder)trans-132125174.2-169.50000109.3A70 G71 S85 Q215A70-S87 CarbonylContact C-O 3.57Å; A70-S87 WeakPolarHBondContact CA-O 3.4Å; G71-S87 PolarHBondContact N-O 3.33Å; G71-S87 PolarHBondContact O-N 3.42Å; S85-S87 VanDerWaalsContact C-N 3.27Å; S85-S87 PolarHBondContact O-N 2.81Å; S87-Q215 VanDerWaalsContact CB-OE1 3.31Å; S87-Q215 PolarHBondContact OG-OE1 3.32Å
88M97.3Very high86.5Confident3 Ų348.3 Ų48.32%0.01526%0.26CS..EExtended strand (participates in β ladder)trans-131127.5177.3-69.1169.2-72.900108.9L69 S85 L105 R107 L122 N123 I138L69-M88 WeakPolarHBondContact O-CA 3.46Å; S85-M88 PolarHBondContact OG-SD 3.06Å; M88-L105 HydrophobicContact CB-CB 4.17Å; M88-L105 PolarHBondContact O-N 2.69Å; M88-R107 HydrophobicContact CE-CB 4.3Å; M88-L122 HydrophobicContact CE-CB 4.13Å; M88-L122 HydrophobicContact CE-CD2 3.74Å; M88-L122 HydrophobicContact CE-CG 3.68Å; M88-L122 HydrophobicContact SD-CD2 4.05Å; M88-L122 HydrophobicContact SD-CG 3.86Å; M88-N123 HydrophobicContact CE-CB 4.01Å; M88-I138 HydrophobicContact SD-CD1 4.08Å
89M98.2Very high88.5Confident3 Ų347.3 Ų47.32%0.01524%0.235CC..EExtended strand (participates in β ladder)trans-133.6138.8173-55.8177.5-159.800109.9L69 I102 V103 Q215 R216 V219L69-M89 HydrophobicContact CB-CB 4.27Å; L69-M89 PolarHBondContact N-O 3.07Å; L69-M89 PolarHBondContact O-N 3.14Å; M89-I102 HydrophobicContact CB-CG2 4.05Å; M89-I102 HydrophobicContact CG-CG2 4.41Å; M89-I102 HydrophobicContact SD-CG2 3.99Å; M89-V103 CarbonylContact C-O 3.53Å; M89-V103 VanDerWaalsContact CA-O 3.24Å; M89-V103 WeakPolarHBondContact CA-O 3.49Å; M89-Q215 HydrophobicContact CE-CB 3.64Å; M89-R216 HydrophobicContact CE-CB 4.03Å; M89-R216 HydrophobicContact SD-CB 4.11Å; M89-R216 HydrophobicContact SD-CG 4.29Å; M89-V219 HydrophobicContact CE-CG2 4.05Å; M89-V219 HydrophobicContact SD-CB 4.34Å; M89-V219 HydrophobicContact SD-CG2 4.03Å
90V98.5Very high90.3Very high0 Ų040.1 Ų40.10%021%0.208CC..EExtended strand (participates in β ladder)trans-104125.1170172.60000109L68 I102 V103 L105 I138 L142 I144 L146 L301L68-V90 HydrophobicContact CD1-CG2 4.35Å; V90-I102 CarbonylContact O-C 2.95Å; V90-I102 WeakPolarHBondContact O-CA 3.39Å; V90-V103 PolarHBondContact N-O 3.08Å; V90-V103 PolarHBondContact O-N 3.18Å; V90-L105 HydrophobicContact CG2-CD1 4.05Å; V90-I138 HydrophobicContact CG2-CG2 3.68Å; V90-L142 HydrophobicContact CB-CD1 4.03Å; V90-L142 HydrophobicContact CG1-CD1 4.27Å; V90-L142 HydrophobicContact CG2-CD1 3.65Å; V90-I144 HydrophobicContact CG1-CD1 3.91Å; V90-L146 HydrophobicContact CG1-CD2 3.92Å; V90-L146 HydrophobicContact CG2-CD2 4Å; V90-L301 HydrophobicContact CG1-CD2 4.4Å
91V98.4Very high92.2Very high9 Ų934.8 Ų34.86%0.05517%0.171CC..EExtended strand (participates in β ladder)trans-109127176.9-170.70000108.3S66 I67 L69 I93 T101 I102S66-V91 CarbonylContact C-O 3.59Å; S66-V91 WeakPolarHBondContact CA-O 3.48Å; I67-V91 PolarHBondContact N-O 3.45Å; I67-V91 PolarHBondContact O-N 3Å; L69-V91 HydrophobicContact CD1-CG2 3.59Å; L69-V91 HydrophobicContact CG-CG2 3.89Å; V91-I93 HydrophobicContact CG1-CD1 4.18Å; V91-I93 HydrophobicContact CG1-CG1 3.75Å; V91-T101 CarbonylContact C-O 3.6Å; V91-T101 WeakPolarHBondContact CA-O 3.47Å; V91-I102 HydrophobicContact CG1-CG1 4.11Å; V91-I102 HydrophobicContact CG2-CG1 4.04Å; V91-I102 HydrophobicContact CG2-CG2 4.28Å
92T98.5Very high93.6Very high0 Ų029 Ų290%014%0.14CC..EExtended strand (participates in β ladder)trans-111.4130.2168.7460000108.4S100 T101 I144 L301 Q304 L305T92-S100 CarbonylContact O-C 3.51Å; T92-S100 WeakPolarHBondContact O-CA 3.44Å; T92-S100 WeakPolarHBondContact O-CB 3.1Å; T92-T101 PolarHBondContact N-O 3.42Å; T92-T101 PolarHBondContact O-N 3.05Å; T92-T101 WeakPolarHBondContact OG1-CB 3.41Å; T92-T101 PolarHBondContact OG1-O 3.31Å; T92-I144 HydrophobicContact CG2-CD1 4.27Å; T92-L301 HydrophobicContact CG2-CB 4.31Å; T92-L301 HydrophobicContact CG2-CD2 3.61Å; T92-Q304 WeakPolarHBondContact OG1-CG 3.39Å; T92-L305 HydrophobicContact CG2-CD1 3.86Å; T92-L305 HydrophobicContact CG2-CD2 3.92Å; T92-L305 HydrophobicContact CG2-CG 3.72Å
93I98Very high94.9Very high4 Ų425 Ų252%0.02112%0.121CC..EExtended strand (participates in β ladder)trans-122.6121.6-170.1-53.9170.8000107.5P64 F65 I67 V91 Y262 A265 F266P64-I93 VanDerWaalsContact CA-O 3.29Å; P64-I93 WeakPolarHBondContact CA-O 3.28Å; F65-I93 HydrophobicContact CD1-CB 4.44Å; F65-I93 HydrophobicContact CE1-CB 4.09Å; F65-I93 HydrophobicContact CE1-CD1 4.15Å; F65-I93 HydrophobicContact CE1-CG2 4.29Å; F65-I93 HydrophobicContact CE2-CD1 3.89Å; F65-I93 HydrophobicContact CZ-CB 4.35Å; F65-I93 HydrophobicContact CZ-CD1 3.53Å; F65-I93 HydrophobicContact CZ-CG1 4.46Å; F65-I93 PolarHBondContact N-O 3.49Å; F65-I93 PolarHBondContact O-N 3.29Å; I67-I93 HydrophobicContact CD1-CD1 3.79Å; I67-I93 HydrophobicContact CG1-CD1 4.26Å; V91-I93 HydrophobicContact CG1-CD1 4.18Å; V91-I93 HydrophobicContact CG1-CG1 3.75Å; I93-Y262 HydrophobicContact CG2-CD1 3.62Å; I93-Y262 HydrophobicContact CG2-CE1 4.35Å; I93-Y262 HydrophobicContact CG2-CG 4.44Å; I93-A265 HydrophobicContact CG2-CB 3.48Å; I93-A265 VanDerWaalsContact CG2-CB 3.48Å; I93-F266 HydrophobicContact CD1-CE1 4.15Å; I93-F266 HydrophobicContact CD1-CZ 4.03Å; I93-F266 HydrophobicContact CG1-CE1 4.28Å; I93-F266 HydrophobicContact CG1-CZ 4.49Å; I93-F266 HydrophobicContact CG2-CE1 4.21Å; I93-F266 HydrophobicContact CG2-CZ 4.02Å
94N97.5Very high95.6Very high0 Ų024.2 Ų24.20%011%0.113CC..EExtended strand (participates in β ladder)trans-132.7104.9178.7-168.8-39.1000110.6P64 K96 Q97 K98 K99 Q304 D306P64-N94 HydrophobicContact CB-CB 4.18Å; P64-N94 HydrophobicContact CG-CB 4.34Å; P64-N94 VanDerWaalsContact CG-ND2 3.26Å; P64-N94 WeakPolarHBondContact CG-ND2 3.45Å; N94-K96 VanDerWaalsContact C-N 3.34Å; N94-K96 WeakPolarHBondContact OD1-CA 3.19Å; N94-K96 WeakPolarHBondContact OD1-CB 3.33Å; N94-K96 PolarHBondContact OD1-N 3.46Å; N94-Q97 HydrophobicContact CB-CB 4.08Å; N94-Q97 HydrophobicContact CB-CG 4.29Å; N94-Q97 PolarHBondContact ND2-NE2 2.97Å; N94-Q97 PolarHBondContact O-N 3.44Å; N94-Q97 PolarHBondContact OD1-N 3.4Å; N94-K98 PolarHBondContact O-N 3.39Å; N94-K98 VanDerWaalsContact O-N 3.09Å; N94-K99 PolarHBondContact N-O 2.84Å; N94-K99 PolarHBondContact O-N 2.77Å; N94-K99 VanDerWaalsContact O-N 3.11Å; N94-Q304 HydrophobicContact CB-CG 4.28Å; N94-Q304 VanDerWaalsContact CB-NE2 3.3Å; N94-Q304 VanDerWaalsContact CB-O 3.3Å; N94-Q304 WeakPolarHBondContact CB-O 3.32Å; N94-Q304 PolarHBondContact ND2-O 2.84Å; N94-D306 PolarHBondContact ND2-OD1 3.45Å
95P95.7Very high96Very high11 Ų1123.3 Ų23.37%0.07111%0.11CC..THydrogen-bonded Turntrans-72.4-29.3-178.429.9-33.7000111.8A62 Q97 K98 Y262 A265A62-P95 HydrophobicContact CB-CG 3.77Å; A62-P95 VanDerWaalsContact O-CG 3.24Å; A62-P95 WeakPolarHBondContact O-CG 3.37Å; P95-Q97 VanDerWaalsContact C-N 3.33Å; P95-Q97 PolarHBondContact O-N 3.43Å; P95-K98 PolarHBondContact O-N 2.9Å; P95-K98 VanDerWaalsContact O-N 3.11Å; P95-Y262 HydrophobicContact CB-CD1 3.87Å; P95-Y262 HydrophobicContact CB-CE1 4.3Å; P95-Y262 HydrophobicContact CB-CG 4.32Å; P95-Y262 HydrophobicContact CG-CD1 3.55Å; P95-Y262 HydrophobicContact CG-CE1 3.46Å; P95-Y262 VanDerWaalsContact CG-CE1 3.46Å; P95-Y262 HydrophobicContact CG-CG 4.29Å; P95-A265 HydrophobicContact CB-CB 4.33Å
96K94.8Very high96.3Very high139 Ų13923.3 Ų23.360%0.60411%0.11SC*.THydrogen-bonded Turntrans-65.2-39.1175.8-57.6175.5-175.8171.20111.1N94 K98N94-K96 VanDerWaalsContact C-N 3.34Å; N94-K96 WeakPolarHBondContact OD1-CA 3.19Å; N94-K96 WeakPolarHBondContact OD1-CB 3.33Å; N94-K96 PolarHBondContact OD1-N 3.46Å; K96-K98 VanDerWaalsContact C-N 3.32Å
97Q95.9Very high96.6Very high81 Ų8122.4 Ų22.438%0.37910%0.103SC..THydrogen-bonded Turntrans-84.4-3174.6-61-176.521.600113.5N94 P95 K99 K303 D306N94-Q97 HydrophobicContact CB-CB 4.08Å; N94-Q97 HydrophobicContact CB-CG 4.29Å; N94-Q97 PolarHBondContact ND2-NE2 2.97Å; N94-Q97 PolarHBondContact O-N 3.44Å; N94-Q97 PolarHBondContact OD1-N 3.4Å; P95-Q97 VanDerWaalsContact C-N 3.33Å; P95-Q97 PolarHBondContact O-N 3.43Å; Q97-K99 HydrophobicContact CB-CB 4.37Å; Q97-K99 WeakPolarHBondContact O-CB 3.37Å; Q97-K99 PolarHBondContact O-N 2.78Å; Q97-K303 PolarHBondContact NE2-O 3.46Å; Q97-D306 PolarHBondContact NE2-OD1 3.43Å
98K96.5Very high96.6Very high121 Ų12121.9 Ų21.953%0.52610%0.099SC..THydrogen-bonded Turntrans4939.9-174.5-58.8-169.8178.5-172.60113.5N94 P95 K96 S264N94-K98 PolarHBondContact O-N 3.39Å; N94-K98 VanDerWaalsContact O-N 3.09Å; P95-K98 PolarHBondContact O-N 2.9Å; P95-K98 VanDerWaalsContact O-N 3.11Å; K96-K98 VanDerWaalsContact C-N 3.32Å; K98-S264 CarbonylContact C-O 3.44Å; K98-S264 VanDerWaalsContact C-O 3.24Å; K98-S264 WeakPolarHBondContact CA-O 3.4Å; K98-S264 WeakPolarHBondContact CB-O 3.49Å
99K96.6Very high96.6Very high51 Ų5121.7 Ų21.722%0.22210%0.098CC..EExtended strand (participates in β ladder)trans-149.2145.2-169.5-178.6179.9166.2-138.90111.6N94 Q97 A265 T268 Q304N94-K99 PolarHBondContact N-O 2.84Å; N94-K99 PolarHBondContact O-N 2.77Å; N94-K99 VanDerWaalsContact O-N 3.11Å; Q97-K99 HydrophobicContact CB-CB 4.37Å; Q97-K99 WeakPolarHBondContact O-CB 3.37Å; Q97-K99 PolarHBondContact O-N 2.78Å; K99-A265 CarbonylContact C-O 3.57Å; K99-A265 VanDerWaalsContact CA-O 3.25Å; K99-A265 WeakPolarHBondContact CA-O 3.4Å; K99-A265 PolarHBondContact N-O 2.95Å; K99-T268 WeakPolarHBondContact CA-O 3.38Å; K99-T268 HydrophobicContact CD-CG2 4.43Å; K99-T268 HydrophobicContact CG-CG2 4.13Å; K99-Q304 VanDerWaalsContact NZ-OE1 3.1Å; K99-Q304 PolarHBondContact O-NE2 2.95Å
100S97.5Very high96.5Very high1 Ų122.1 Ų22.11%0.00710%0.1CC..EExtended strand (participates in β ladder)trans-123.2149.2168.2-58.60000109.8T92 A265 F266 T268 I269 K270T92-S100 CarbonylContact O-C 3.51Å; T92-S100 WeakPolarHBondContact O-CA 3.44Å; T92-S100 WeakPolarHBondContact O-CB 3.1Å; S100-A265 WeakPolarHBondContact CB-O 3.47Å; S100-A265 PolarHBondContact N-O 3.02Å; S100-A265 PolarHBondContact OG-O 2.81Å; S100-F266 WeakPolarHBondContact OG-CD1 3.47Å; S100-T268 PolarHBondContact N-O 2.91Å; S100-I269 CarbonylContact O-C 3.57Å; S100-I269 WeakPolarHBondContact O-CA 3.25Å; S100-K270 PolarHBondContact O-N 2.83Å
101T97.9Very high96.4Very high0 Ų022.4 Ų22.40%010%0.102CC..EExtended strand (participates in β ladder)trans-121.3124.4170.9-57.80000109.5V91 T92 V103 K270 T300 L301 Q304V91-T101 CarbonylContact C-O 3.6Å; V91-T101 WeakPolarHBondContact CA-O 3.47Å; T92-T101 PolarHBondContact N-O 3.42Å; T92-T101 PolarHBondContact O-N 3.05Å; T92-T101 WeakPolarHBondContact OG1-CB 3.41Å; T92-T101 PolarHBondContact OG1-O 3.31Å; T101-V103 HydrophobicContact CG2-CG2 4.14Å; T101-K270 CarbonylContact C-O 3.24Å; T101-K270 VanDerWaalsContact CA-O 3.29Å; T101-K270 WeakPolarHBondContact CA-O 3.48Å; T101-K270 HydrophobicContact CG2-CB 4.26Å; T101-K270 HydrophobicContact CG2-CG 4.42Å; T101-T300 HydrophobicContact CG2-CG2 4.08Å; T101-L301 HydrophobicContact CG2-CD2 4.49Å; T101-Q304 PolarHBondContact OG1-OE1 3Å
102I97.9Very high96.3Very high1 Ų125.5 Ų25.51%0.00512%0.115CC..EExtended strand (participates in β ladder)trans-105.6121.8173.3-53.5178.7000108.1M89 V90 V91 R216 I269 K270 Q271 K272M89-I102 HydrophobicContact CB-CG2 4.05Å; M89-I102 HydrophobicContact CG-CG2 4.41Å; M89-I102 HydrophobicContact SD-CG2 3.99Å; V90-I102 CarbonylContact O-C 2.95Å; V90-I102 WeakPolarHBondContact O-CA 3.39Å; V91-I102 HydrophobicContact CG1-CG1 4.11Å; V91-I102 HydrophobicContact CG2-CG1 4.04Å; V91-I102 HydrophobicContact CG2-CG2 4.28Å; I102-R216 HydrophobicContact CG2-CG 4.02Å; I102-I269 HydrophobicContact CD1-CG2 3.61Å; I102-I269 HydrophobicContact CG1-CG2 3.87Å; I102-K270 PolarHBondContact N-O 3.28Å; I102-Q271 CarbonylContact O-C 3.58Å; I102-Q271 WeakPolarHBondContact O-CA 3.36Å; I102-K272 PolarHBondContact O-N 2.94Å
103V97.5Very high96.2Very high0 Ų025.6 Ų25.60%012%0.115CC..EExtended strand (participates in β ladder)trans-113.2114.6173.8-178.20000108.4M89 V90 T101 L105 K272 L274 I297 L301M89-V103 CarbonylContact C-O 3.53Å; M89-V103 VanDerWaalsContact CA-O 3.24Å; M89-V103 WeakPolarHBondContact CA-O 3.49Å; V90-V103 PolarHBondContact N-O 3.08Å; V90-V103 PolarHBondContact O-N 3.18Å; T101-V103 HydrophobicContact CG2-CG2 4.14Å; V103-L105 HydrophobicContact CG1-CD2 3.92Å; V103-K272 WeakPolarHBondContact CA-O 3.32Å; V103-K272 HydrophobicContact CG2-CB 4.03Å; V103-L274 HydrophobicContact CG1-CB 4.22Å; V103-I297 HydrophobicContact CG1-CD1 4.46Å; V103-I297 HydrophobicContact CG1-CG2 3.94Å; V103-I297 HydrophobicContact CG2-CG2 4.24Å; V103-L301 HydrophobicContact CG2-CD1 4.26Å; V103-L301 HydrophobicContact CG2-CD2 3.74Å; V103-L301 HydrophobicContact CG2-CG 4.16Å
104S96.7Very high96Very high2 Ų227 Ų271%0.01412%0.124CC..EExtended strand (participates in β ladder)trans-74.5135.8167.9-63.70000109.9K272 Q273 L274S104-K272 PolarHBondContact N-O 3.27Å; S104-Q273 WeakPolarHBondContact O-CA 3.46Å; S104-L274 PolarHBondContact O-N 3.21Å
105L95.8Very high95.8Very high4 Ų429.8 Ų29.82%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-112.2127175.9-50.5177.4000108.4M88 V90 V103 I109 L122 I138 L142 L274M88-L105 HydrophobicContact CB-CB 4.17Å; M88-L105 PolarHBondContact O-N 2.69Å; V90-L105 HydrophobicContact CG2-CD1 4.05Å; V103-L105 HydrophobicContact CG1-CD2 3.92Å; L105-I109 HydrophobicContact CB-CD1 4.47Å; L105-L122 HydrophobicContact CB-CD2 3.76Å; L105-L122 HydrophobicContact CD1-CD2 4.05Å; L105-I138 HydrophobicContact CD1-CB 4.47Å; L105-I138 HydrophobicContact CD1-CD1 3.99Å; L105-I138 HydrophobicContact CD1-CG1 3.99Å; L105-I138 HydrophobicContact CD1-CG2 3.63Å; L105-L142 HydrophobicContact CD1-CD1 4.15Å; L105-L142 HydrophobicContact CD2-CD1 4.15Å; L105-L142 HydrophobicContact CD2-CD2 4.07Å; L105-L274 HydrophobicContact CD2-CB 4.06Å; L105-L274 HydrophobicContact CD2-CD2 3.89Å
106D92.8Very high95.5Very high0 Ų034.2 Ų34.20%017%0.169CC..  trans-69.1142.5176.2-165.6-62000111D108 I109 Q212 Q287D106-D108 VanDerWaalsContact C-N 3.28Å; D106-D108 PolarHBondContact O-N 3.46Å; D106-D108 WeakPolarHBondContact OD1-CB 3.35Å; D106-D108 PolarHBondContact OD1-N 2.89Å; D106-I109 HydrophobicContact CB-CD1 4.16Å; D106-I109 HydrophobicContact CB-CG1 3.99Å; D106-I109 WeakPolarHBondContact O-CD1 3.22Å; D106-I109 WeakPolarHBondContact O-CG1 3.4Å; D106-Q212 PolarHBondContact OD2-NE2 3.42Å; D106-Q287 VanDerWaalsContact CG-CD 3.49Å; D106-Q287 PolarHBondContact OD1-NE2 3.49Å; D106-Q287 PolarHBondContact OD2-NE2 2.57Å
107R93.1Very high95.1Very high22 Ų2236.5 Ų36.58%0.08318%0.182CC..THydrogen-bonded Turntrans-68.5-28.7-178.269.2179.9-173.2170.35.1112.8D86 M88 I109 L122 N123 R201D86-R107 IonicContact OD1-NH1 2.92Å; D86-R107 PolarHBondContact OD1-NH1 3.1Å; M88-R107 HydrophobicContact CE-CB 4.3Å; R107-I109 VanDerWaalsContact C-N 3.35Å; R107-L122 PolarHBondContact O-N 2.83Å; R107-N123 HydrophobicContact CB-CB 3.85Å; R107-N123 PolarHBondContact O-N 3.28Å; R107-N123 PolarHBondContact O-OD1 3.49Å; R107-R201 VanDerWaalsContact NH2-NH1 3.12Å
108D94.1Very high94.9Very high7 Ų735.7 Ų35.74%0.03718%0.182CC..THydrogen-bonded Turntrans-91.34.4-172.9-67.6-56.3000112.4D106 L110 K121 Y285 Y286 Q287D106-D108 VanDerWaalsContact C-N 3.28Å; D106-D108 PolarHBondContact O-N 3.46Å; D106-D108 WeakPolarHBondContact OD1-CB 3.35Å; D106-D108 PolarHBondContact OD1-N 2.89Å; D108-L110 PolarHBondContact O-N 3.23Å; D108-K121 WeakPolarHBondContact OD1-CD 3.39Å; D108-K121 WeakPolarHBondContact OD1-CE 3.47Å; D108-K121 IonicContact OD1-NZ 3.03Å; D108-K121 PolarHBondContact OD1-NZ 3.26Å; D108-Y285 HydrophobicContact CB-CD1 4.06Å; D108-Y285 HydrophobicContact CB-CE1 3.83Å; D108-Y286 CarbonylContact O-C 3.43Å; D108-Y286 WeakPolarHBondContact O-CA 3.47Å; D108-Q287 HydrophobicContact CB-CG 4.47Å; D108-Q287 PolarHBondContact O-N 3.05Å
109I95.8Very high94.9Very high0 Ų032.1 Ų32.10%017%0.169CC..BIsolated β-bridgetrans-56.4121.5173.1-68.6170.6000109.6L105 D106 R107 T111 K121 L122 L141 L274 Q287 L289L105-I109 HydrophobicContact CB-CD1 4.47Å; D106-I109 HydrophobicContact CB-CD1 4.16Å; D106-I109 HydrophobicContact CB-CG1 3.99Å; D106-I109 WeakPolarHBondContact O-CD1 3.22Å; D106-I109 WeakPolarHBondContact O-CG1 3.4Å; R107-I109 VanDerWaalsContact C-N 3.35Å; I109-T111 PolarHBondContact O-N 3.24Å; I109-K121 CarbonylContact O-C 3.59Å; I109-K121 WeakPolarHBondContact O-CA 3.4Å; I109-L122 HydrophobicContact CB-CB 4.1Å; I109-L122 HydrophobicContact CD1-CD2 4.33Å; I109-L122 PolarHBondContact O-N 3.06Å; I109-L141 HydrophobicContact CG2-CD2 4.21Å; I109-L274 HydrophobicContact CD1-CD2 4.29Å; I109-L274 HydrophobicContact CD1-CG 4.26Å; I109-Q287 WeakPolarHBondContact CA-O 3.36Å; I109-Q287 HydrophobicContact CG1-CB 4.45Å; I109-L289 HydrophobicContact CD1-CD1 4.43Å; I109-L289 HydrophobicContact CD1-CD2 4.1Å; I109-L289 HydrophobicContact CG1-CD2 4.06Å; I109-L289 HydrophobicContact CG2-CD1 3.73Å; I109-L289 HydrophobicContact CG2-CD2 4.39Å; I109-L289 HydrophobicContact CG2-CG 3.95Å
110L96.5Very high94.9Very high12 Ų1230.9 Ų30.96%0.06317%0.165CC..EExtended strand (participates in β ladder)trans-73122.2169.6-178.465.2000109D108 N119 I281 Y286 Q287 I288 L324D108-L110 PolarHBondContact O-N 3.23Å; L110-N119 HydrophobicContact CD1-CB 4.12Å; L110-I281 HydrophobicContact CD2-CD1 3.81Å; L110-Y286 HydrophobicContact CB-CD1 3.84Å; L110-Y286 HydrophobicContact CB-CG 4.21Å; L110-Y286 HydrophobicContact CD1-CD1 3.71Å; L110-Y286 HydrophobicContact CD1-CE1 3.67Å; L110-Y286 HydrophobicContact CD1-CG 4.37Å; L110-Y286 HydrophobicContact CG-CD1 4.29Å; L110-Q287 PolarHBondContact N-O 2.83Å; L110-I288 HydrophobicContact CB-CD1 3.63Å; L110-I288 HydrophobicContact CD2-CD1 3.49Å; L110-I288 VanDerWaalsContact CD2-CD1 3.49Å; L110-I288 HydrophobicContact CG-CD1 4.2Å; L110-L324 HydrophobicContact CD2-CD2 4.01Å; L110-L324 HydrophobicContact CG-CD2 3.73Å
111T97Very high94.8Very high6 Ų632.2 Ų32.24%0.03717%0.171CC..EExtended strand (participates in β ladder)trans-150.9163.2179.2-161.50000111.8I109 I113 N119 D120 L122 T137I109-T111 PolarHBondContact O-N 3.24Å; T111-I113 HydrophobicContact CG2-CD1 4.1Å; T111-I113 PolarHBondContact O-N 3.04Å; T111-N119 VanDerWaalsContact O-CA 3.31Å; T111-N119 WeakPolarHBondContact O-CA 3.28Å; T111-D120 PolarHBondContact N-O 2.75Å; T111-D120 PolarHBondContact O-N 3.23Å; T111-D120 VanDerWaalsContact O-O 3.11Å; T111-L122 HydrophobicContact CG2-CB 4.29Å; T111-L122 HydrophobicContact CG2-CD1 3.8Å; T111-T137 HydrophobicContact CG2-CG2 3.63Å
112K95.9Very high94.8Very high73 Ų7332.2 Ų32.232%0.31717%0.171SC..EExtended strand (participates in β ladder)trans-68.7120172.1179.3171.8179.31680110.7V114 N119 T137 E318 L324K112-V114 PolarHBondContact O-N 3.13Å; K112-N119 WeakPolarHBondContact CA-OD1 3.29Å; K112-N119 WeakPolarHBondContact CB-OD1 3.39Å; K112-T137 WeakPolarHBondContact O-CG2 3.34Å; K112-E318 IonicContact NZ-OE2 3.06Å; K112-E318 PolarHBondContact NZ-OE2 2.76Å; K112-L324 HydrophobicContact CB-CD1 4.31Å
113I96.7Very high94.7Very high2 Ų232.5 Ų32.51%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-84.8108.1177.5-50.7-57.6000109.3T111 G115 Y116 T118 D120 A125 F128 M133 T137T111-I113 HydrophobicContact CG2-CD1 4.1Å; T111-I113 PolarHBondContact O-N 3.04Å; I113-G115 PolarHBondContact O-N 2.9Å; I113-Y116 HydrophobicContact CG2-CG 4.43Å; I113-Y116 PolarHBondContact O-N 3.39Å; I113-Y116 VanDerWaalsContact O-N 3.15Å; I113-T118 WeakPolarHBondContact CB-O 3.43Å; I113-T118 PolarHBondContact N-O 3.2Å; I113-D120 HydrophobicContact CD1-CB 4.29Å; I113-D120 HydrophobicContact CG1-CB 3.89Å; I113-A125 HydrophobicContact CD1-CB 4.27Å; I113-A125 HydrophobicContact CG2-CB 4.25Å; I113-F128 HydrophobicContact CG2-CD2 4.22Å; I113-M133 HydrophobicContact CG2-CG 3.95Å; I113-M133 HydrophobicContact CG2-SD 3.58Å; I113-M133 VanDerWaalsContact CG2-SD 3.58Å; I113-T137 HydrophobicContact CD1-CG2 4.24Å
114V94.3Very high94.6Very high33 Ų3333.2 Ų33.220%0.218%0.175CC..THydrogen-bonded Turntrans-69.4120-173.8177.10000110.6L50 K112 M133 D136 T137 T140L50-V114 HydrophobicContact CD1-CG1 4.08Å; K112-V114 PolarHBondContact O-N 3.13Å; V114-M133 WeakPolarHBondContact O-CG 3.47Å; V114-D136 HydrophobicContact CB-CB 4.07Å; V114-D136 HydrophobicContact CG1-CB 3.85Å; V114-T137 PolarHBondContact N-OG1 3Å; V114-T137 VanDerWaalsContact N-OG1 3.1Å; V114-T140 HydrophobicContact CG2-CG2 4.2Å; V114-T140 WeakPolarHBondContact CG2-OG1 3.43Å
115G93.1Very high94.6Very high60 Ų6033.1 Ų33.162%0.61918%0.175SC*.THydrogen-bonded Turntrans86.810.6-177.400000114.8I113I113-G115 PolarHBondContact O-N 2.9Å
116Y89.5Confident94.6Very high104 Ų10433.8 Ų33.841%0.40818%0.177SC..THydrogen-bonded Turntrans-1265.9176.6-157.9-117.3000113.5I113 T118 F128 M133I113-Y116 HydrophobicContact CG2-CG 4.43Å; I113-Y116 PolarHBondContact O-N 3.39Å; I113-Y116 VanDerWaalsContact O-N 3.15Å; Y116-T118 HydrophobicContact CD1-CG2 3.45Å; Y116-T118 VanDerWaalsContact CD1-CG2 3.45Å; Y116-T118 HydrophobicContact CE1-CG2 3.96Å; Y116-T118 HydrophobicContact CG-CG2 4.44Å; Y116-T118 PolarHBondContact O-N 2.98Å; Y116-F128 HydrophobicContact CD1-CB 4.41Å; Y116-F128 AromaticContact CD1-CD2 3.24Å; Y116-F128 HydrophobicContact CD1-CD2 3.24Å; Y116-F128 AromaticContact CD1-CE2 3.46Å; Y116-F128 HydrophobicContact CD1-CE2 3.46Å; Y116-F128 VanDerWaalsContact CD1-CE2 3.46Å; Y116-F128 AromaticContact CD1-CG 3.86Å; Y116-F128 HydrophobicContact CD1-CG 3.86Å; Y116-F128 HydrophobicContact CD1-CZ 4.24Å; Y116-F128 HydrophobicContact CD2-CB 4.05Å; Y116-F128 HydrophobicContact CD2-CD2 4.37Å; Y116-F128 HydrophobicContact CD2-CG 4.26Å; Y116-F128 HydrophobicContact CE1-CB 4.48Å; Y116-F128 AromaticContact CE1-CD1 3.92Å; Y116-F128 HydrophobicContact CE1-CD1 3.92Å; Y116-F128 AromaticContact CE1-CD2 3.33Å; Y116-F128 HydrophobicContact CE1-CD2 3.33Å; Y116-F128 AromaticContact CE1-CE1 3.9Å; Y116-F128 HydrophobicContact CE1-CE1 3.9Å; Y116-F128 AromaticContact CE1-CE2 3.28Å; Y116-F128 HydrophobicContact CE1-CE2 3.28Å; Y116-F128 AromaticContact CE1-CG 3.66Å; Y116-F128 HydrophobicContact CE1-CG 3.66Å; Y116-F128 AromaticContact CE1-CZ 3.59Å; Y116-F128 HydrophobicContact CE1-CZ 3.59Å; Y116-F128 HydrophobicContact CE2-CB 4.08Å; Y116-F128 HydrophobicContact CE2-CD1 4.35Å; Y116-F128 HydrophobicContact CE2-CD2 4.41Å; Y116-F128 HydrophobicContact CE2-CG 4.05Å; Y116-F128 HydrophobicContact CG-CB 4.24Å; Y116-F128 AromaticContact CG-CD2 3.84Å; Y116-F128 HydrophobicContact CG-CD2 3.84Å; Y116-F128 HydrophobicContact CG-CE2 4.47Å; Y116-F128 HydrophobicContact CG-CG 4.19Å; Y116-F128 AromaticContact CZ-CD1 3.79Å; Y116-F128 AromaticContact CZ-CD2 3.95Å; Y116-F128 AromaticContact CZ-CG 3.76Å; Y116-M133 HydrophobicContact CD2-CE 4.45Å
117E86.3Confident94.5Very high187 Ų18734.4 Ų34.487%0.87418%0.182SC*.THydrogen-bonded Turntrans50.426.8174.3-56-56.3128.900115.8
118T92Very high94.5Very high63 Ų6335.4 Ų35.439%0.38719%0.187SC..EExtended strand (participates in β ladder)trans-147161.4178.6-168.10000111.7I113 Y116I113-T118 WeakPolarHBondContact CB-O 3.43Å; I113-T118 PolarHBondContact N-O 3.2Å; Y116-T118 HydrophobicContact CD1-CG2 3.45Å; Y116-T118 VanDerWaalsContact CD1-CG2 3.45Å; Y116-T118 HydrophobicContact CE1-CG2 3.96Å; Y116-T118 HydrophobicContact CG-CG2 4.44Å; Y116-T118 PolarHBondContact O-N 2.98Å
119N95.1Very high94.5Very high46 Ų4636.4 Ų36.425%0.24620%0.199CC..EExtended strand (participates in β ladder)trans-96.4134.8169.5-62.8-25000109.2L110 T111 K112 D320 L324L110-N119 HydrophobicContact CD1-CB 4.12Å; T111-N119 VanDerWaalsContact O-CA 3.31Å; T111-N119 WeakPolarHBondContact O-CA 3.28Å; K112-N119 WeakPolarHBondContact CA-OD1 3.29Å; K112-N119 WeakPolarHBondContact CB-OD1 3.39Å; N119-D320 PolarHBondContact ND2-OD2 2.97Å; N119-D320 PolarHBondContact OD1-OD2 3.14Å; N119-D320 VanDerWaalsContact OD1-OD2 3.09Å; N119-L324 HydrophobicContact CB-CD2 4.03Å
120D96.4Very high94.3Very high26 Ų2636.9 Ų36.914%0.13920%0.204CC..EExtended strand (participates in β ladder)trans-159.1-177.4179.3-152.9-13.9000110.7T111 I113 H124 F128T111-D120 PolarHBondContact N-O 2.75Å; T111-D120 PolarHBondContact O-N 3.23Å; T111-D120 VanDerWaalsContact O-O 3.11Å; I113-D120 HydrophobicContact CD1-CB 4.29Å; I113-D120 HydrophobicContact CG1-CB 3.89Å; D120-H124 IonicContact OD1-CE1 2.72Å; D120-H124 IonicContact OD1-ND1 3.09Å; D120-H124 PolarHBondContact OD1-ND1 3.39Å; D120-H124 IonicContact OD2-CE1 3Å; D120-H124 IonicContact OD2-CG 3.48Å; D120-H124 IonicContact OD2-ND1 3.35Å; D120-H124 PolarHBondContact OD2-ND1 3.37Å; D120-F128 HydrophobicContact CB-CE2 4.47Å
121K96.7Very high94.2Very high28 Ų2837.1 Ų37.112%0.12221%0.206CC..EExtended strand (participates in β ladder)trans-59.8137.4173.3-63-173.2176.4-154.20111.1D108 I109 N123 H124 Y285 Y286D108-K121 WeakPolarHBondContact OD1-CD 3.39Å; D108-K121 WeakPolarHBondContact OD1-CE 3.47Å; D108-K121 IonicContact OD1-NZ 3.03Å; D108-K121 PolarHBondContact OD1-NZ 3.26Å; I109-K121 CarbonylContact O-C 3.59Å; I109-K121 WeakPolarHBondContact O-CA 3.4Å; K121-N123 WeakPolarHBondContact CB-OD1 3.25Å; K121-N123 PolarHBondContact O-N 3Å; K121-N123 VanDerWaalsContact O-N 3.13Å; K121-H124 VanDerWaalsContact O-CB 3.31Å; K121-H124 WeakPolarHBondContact O-CB 3.47Å; K121-H124 PolarHBondContact O-N 2.92Å; K121-Y285 WeakPolarHBondContact CE-O 3.31Å; K121-Y285 PolarHBondContact NZ-O 3.28Å; K121-Y286 HydrophobicContact CG-CD1 3.76Å; K121-Y286 HydrophobicContact CG-CE1 3.52Å
122L97.4Very high94.1Very high1 Ų141.4 Ų41.41%0.00522%0.224CC..THydrogen-bonded Turntrans-54-38-177.5-179.464.1000113.2M88 L105 R107 I109 T111 H124 A125 T137 I138 L141M88-L122 HydrophobicContact CE-CB 4.13Å; M88-L122 HydrophobicContact CE-CD2 3.74Å; M88-L122 HydrophobicContact CE-CG 3.68Å; M88-L122 HydrophobicContact SD-CD2 4.05Å; M88-L122 HydrophobicContact SD-CG 3.86Å; L105-L122 HydrophobicContact CB-CD2 3.76Å; L105-L122 HydrophobicContact CD1-CD2 4.05Å; R107-L122 PolarHBondContact O-N 2.83Å; I109-L122 HydrophobicContact CB-CB 4.1Å; I109-L122 HydrophobicContact CD1-CD2 4.33Å; I109-L122 PolarHBondContact O-N 3.06Å; T111-L122 HydrophobicContact CG2-CB 4.29Å; T111-L122 HydrophobicContact CG2-CD1 3.8Å; L122-H124 PolarHBondContact O-N 3.28Å; L122-A125 WeakPolarHBondContact O-CB 3.46Å; L122-A125 PolarHBondContact O-N 2.98Å; L122-T137 HydrophobicContact CD1-CG2 3.77Å; L122-I138 HydrophobicContact CD1-CG1 3.79Å; L122-I138 HydrophobicContact CD2-CG1 4.42Å; L122-I138 HydrophobicContact CG-CG1 4.49Å; L122-L141 HydrophobicContact CD1-CD2 4.38Å; L122-L141 HydrophobicContact CD2-CD2 4.38Å
123N95.8Very high94Very high6 Ų639 Ų393%0.03221%0.214CC..THydrogen-bonded Turntrans-67-21.6178.968.3-14.1000114.1S85 M88 R107 K121 A125 Y126S85-N123 WeakPolarHBondContact O-CB 3.49Å; M88-N123 HydrophobicContact CE-CB 4.01Å; R107-N123 HydrophobicContact CB-CB 3.85Å; R107-N123 PolarHBondContact O-N 3.28Å; R107-N123 PolarHBondContact O-OD1 3.49Å; K121-N123 WeakPolarHBondContact CB-OD1 3.25Å; K121-N123 PolarHBondContact O-N 3Å; K121-N123 VanDerWaalsContact O-N 3.13Å; N123-A125 PolarHBondContact O-N 2.81Å; N123-Y126 PolarHBondContact O-N 3.36Å
124H95.8Very high94.1Very high15 Ų1539 Ų397%0.06922%0.215CC..Hα-helixtrans-69.8-21.6178.2-68.5-177.5000112.2R84 D120 K121 L122 Y126 A127 F128R84-H124 PolarHBondContact NE-NE2 2.9Å; R84-H124 PolarHBondContact NH2-NE2 3.37Å; D120-H124 IonicContact OD1-CE1 2.72Å; D120-H124 IonicContact OD1-ND1 3.09Å; D120-H124 PolarHBondContact OD1-ND1 3.39Å; D120-H124 IonicContact OD2-CE1 3Å; D120-H124 IonicContact OD2-CG 3.48Å; D120-H124 IonicContact OD2-ND1 3.35Å; D120-H124 PolarHBondContact OD2-ND1 3.37Å; K121-H124 VanDerWaalsContact O-CB 3.31Å; K121-H124 WeakPolarHBondContact O-CB 3.47Å; K121-H124 PolarHBondContact O-N 2.92Å; L122-H124 PolarHBondContact O-N 3.28Å; H124-Y126 PolarHBondContact O-N 3.25Å; H124-A127 PolarHBondContact O-N 3.05Å; H124-F128 HydrophobicContact CB-CD2 4.03Å; H124-F128 HydrophobicContact CB-CE1 4.48Å; H124-F128 HydrophobicContact CB-CE2 3.51Å; H124-F128 HydrophobicContact CB-CZ 3.76Å; H124-F128 WeakPolarHBondContact O-CB 3.4Å; H124-F128 VanDerWaalsContact O-CD2 3.24Å; H124-F128 WeakPolarHBondContact O-CD2 3.31Å; H124-F128 VanDerWaalsContact O-CG 3.25Å; H124-F128 WeakPolarHBondContact O-CG 3.47Å; H124-F128 PolarHBondContact O-N 3.13Å
125A96.5Very high94.2Very high0 Ų037.6 Ų37.60%021%0.205CC..Hα-helixtrans-54.6-38.1170.700000112I113 L122 N123 G129 G130 M133 T137I113-A125 HydrophobicContact CD1-CB 4.27Å; I113-A125 HydrophobicContact CG2-CB 4.25Å; L122-A125 WeakPolarHBondContact O-CB 3.46Å; L122-A125 PolarHBondContact O-N 2.98Å; N123-A125 PolarHBondContact O-N 2.81Å; A125-G129 PolarHBondContact O-N 2.95Å; A125-G130 PolarHBondContact O-N 3.15Å; A125-M133 HydrophobicContact CB-CG 4.15Å; A125-M133 WeakPolarHBondContact O-CB 3.35Å; A125-T137 HydrophobicContact CB-CG2 4.29Å
126Y94.9Very high94.3Very high18 Ų1835.2 Ų35.27%0.07118%0.179CC..Hα-helixtrans-70.6-41.9175-167.8-97.4000111.8V72 Q82 S85 N123 H124 F128 G130 V131 S134V72-Y126 HydrophobicContact CB-CE1 4.01Å; V72-Y126 HydrophobicContact CG1-CD1 4.14Å; V72-Y126 HydrophobicContact CG1-CD2 4.36Å; V72-Y126 HydrophobicContact CG1-CE1 3.56Å; V72-Y126 HydrophobicContact CG1-CE2 3.85Å; V72-Y126 VanDerWaalsContact CG1-CZ 3.45Å; Q82-Y126 HydrophobicContact CG-CE1 4.48Å; Q82-Y126 WeakPolarHBondContact CG-O 3.28Å; Q82-Y126 PolarHBondContact NE2-O 3.07Å; Q82-Y126 WeakPolarHBondContact O-CD1 3.39Å; Q82-Y126 WeakPolarHBondContact O-CE1 3.28Å; S85-Y126 WeakPolarHBondContact OG-CB 3.35Å; N123-Y126 PolarHBondContact O-N 3.36Å; H124-Y126 PolarHBondContact O-N 3.25Å; Y126-F128 VanDerWaalsContact C-N 3.34Å; Y126-F128 PolarHBondContact O-N 3.43Å; Y126-G130 WeakPolarHBondContact O-CA 3.22Å; Y126-G130 PolarHBondContact O-N 3.01Å; Y126-V131 HydrophobicContact CE2-CG2 3.72Å; Y126-S134 WeakPolarHBondContact CA-OG 3.48Å; Y126-S134 VanDerWaalsContact CB-OG 3.32Å; Y126-S134 WeakPolarHBondContact CB-OG 3.42Å; Y126-S134 PolarHBondContact N-OG 2.69Å; Y126-S134 VanDerWaalsContact N-OG 3.17Å
127A92.3Very high94.7Very high13 Ų1330.2 Ų30.211%0.10716%0.159CC..Hα-helixtrans-62-41.2178.400000112.3Q82 G83 R84 H124Q82-A127 PolarHBondContact NE2-O 3.31Å; G83-A127 WeakPolarHBondContact O-CA 3.4Å; G83-A127 WeakPolarHBondContact O-CB 3.5Å; R84-A127 HydrophobicContact CG-CB 4.07Å; H124-A127 PolarHBondContact O-N 3.05Å
128F93.4Very high95.3Very high44 Ų4421.3 Ų21.319%0.19312%0.118CC..Hα-helixtrans-80.2-40.8-176.6-58.6-31.5000113.3I113 Y116 D120 H124 Y126 M133I113-F128 HydrophobicContact CG2-CD2 4.22Å; Y116-F128 HydrophobicContact CD1-CB 4.41Å; Y116-F128 AromaticContact CD1-CD2 3.24Å; Y116-F128 HydrophobicContact CD1-CD2 3.24Å; Y116-F128 AromaticContact CD1-CE2 3.46Å; Y116-F128 HydrophobicContact CD1-CE2 3.46Å; Y116-F128 VanDerWaalsContact CD1-CE2 3.46Å; Y116-F128 AromaticContact CD1-CG 3.86Å; Y116-F128 HydrophobicContact CD1-CG 3.86Å; Y116-F128 HydrophobicContact CD1-CZ 4.24Å; Y116-F128 HydrophobicContact CD2-CB 4.05Å; Y116-F128 HydrophobicContact CD2-CD2 4.37Å; Y116-F128 HydrophobicContact CD2-CG 4.26Å; Y116-F128 HydrophobicContact CE1-CB 4.48Å; Y116-F128 AromaticContact CE1-CD1 3.92Å; Y116-F128 HydrophobicContact CE1-CD1 3.92Å; Y116-F128 AromaticContact CE1-CD2 3.33Å; Y116-F128 HydrophobicContact CE1-CD2 3.33Å; Y116-F128 AromaticContact CE1-CE1 3.9Å; Y116-F128 HydrophobicContact CE1-CE1 3.9Å; Y116-F128 AromaticContact CE1-CE2 3.28Å; Y116-F128 HydrophobicContact CE1-CE2 3.28Å; Y116-F128 AromaticContact CE1-CG 3.66Å; Y116-F128 HydrophobicContact CE1-CG 3.66Å; Y116-F128 AromaticContact CE1-CZ 3.59Å; Y116-F128 HydrophobicContact CE1-CZ 3.59Å; Y116-F128 HydrophobicContact CE2-CB 4.08Å; Y116-F128 HydrophobicContact CE2-CD1 4.35Å; Y116-F128 HydrophobicContact CE2-CD2 4.41Å; Y116-F128 HydrophobicContact CE2-CG 4.05Å; Y116-F128 HydrophobicContact CG-CB 4.24Å; Y116-F128 AromaticContact CG-CD2 3.84Å; Y116-F128 HydrophobicContact CG-CD2 3.84Å; Y116-F128 HydrophobicContact CG-CE2 4.47Å; Y116-F128 HydrophobicContact CG-CG 4.19Å; Y116-F128 AromaticContact CZ-CD1 3.79Å; Y116-F128 AromaticContact CZ-CD2 3.95Å; Y116-F128 AromaticContact CZ-CG 3.76Å; D120-F128 HydrophobicContact CB-CE2 4.47Å; H124-F128 HydrophobicContact CB-CD2 4.03Å; H124-F128 HydrophobicContact CB-CE1 4.48Å; H124-F128 HydrophobicContact CB-CE2 3.51Å; H124-F128 HydrophobicContact CB-CZ 3.76Å; H124-F128 WeakPolarHBondContact O-CB 3.4Å; H124-F128 VanDerWaalsContact O-CD2 3.24Å; H124-F128 WeakPolarHBondContact O-CD2 3.31Å; H124-F128 VanDerWaalsContact O-CG 3.25Å; H124-F128 WeakPolarHBondContact O-CG 3.47Å; H124-F128 PolarHBondContact O-N 3.13Å; Y126-F128 VanDerWaalsContact C-N 3.34Å; Y126-F128 PolarHBondContact O-N 3.43Å; F128-M133 HydrophobicContact CB-CE 4.48Å; F128-M133 HydrophobicContact CB-SD 3.59Å; F128-M133 VanDerWaalsContact CB-SD 3.59Å
129G92.5Very high95.5Very high28 Ų2818.3 Ų18.329%0.28910%0.099SC..Hα-helixtrans-1439.5-17200000115.6A125 M133A125-G129 PolarHBondContact O-N 2.95Å; G129-M133 PolarHBondContact O-N 3.38Å
130G92.7Very high95.5Very high9 Ų917.1 Ų17.19%0.0939%0.094CC..Hα-helixtrans71.1-157.8169.200000111.1A125 Y126 K132 M133 S134A125-G130 PolarHBondContact O-N 3.15Å; Y126-G130 WeakPolarHBondContact O-CA 3.22Å; Y126-G130 PolarHBondContact O-N 3.01Å; G130-K132 PolarHBondContact O-N 3.39Å; G130-K132 VanDerWaalsContact O-N 3.1Å; G130-M133 PolarHBondContact O-N 3.24Å; G130-M133 VanDerWaalsContact O-N 3.16Å; G130-S134 PolarHBondContact O-N 2.94Å; G130-S134 PolarHBondContact O-OG 3.13Å; G130-S134 VanDerWaalsContact O-OG 3.11Å
131V93.9Very high95.6Very high17 Ų1715.9 Ų15.910%0.1039%0.087CC..Hα-helixtrans-51.1-41-178.4177.70000112V45 Y126 S134 M135 Y149V45-V131 HydrophobicContact CG2-CB 4.35Å; V45-V131 HydrophobicContact CG2-CG1 4.03Å; Y126-V131 HydrophobicContact CE2-CG2 3.72Å; V131-S134 PolarHBondContact O-N 2.99Å; V131-M135 HydrophobicContact CG1-CG 4.15Å; V131-M135 HydrophobicContact CG1-SD 3.81Å; V131-M135 WeakPolarHBondContact O-CB 3.2Å; V131-M135 VanDerWaalsContact O-CG 3.24Å; V131-M135 WeakPolarHBondContact O-CG 3.37Å; V131-M135 PolarHBondContact O-N 3.46Å; V131-Y149 HydrophobicContact CB-CD2 4.4Å; V131-Y149 HydrophobicContact CB-CE2 4.3Å; V131-Y149 HydrophobicContact CG1-CD1 3.64Å; V131-Y149 HydrophobicContact CG1-CD2 3.46Å; V131-Y149 VanDerWaalsContact CG1-CD2 3.46Å; V131-Y149 HydrophobicContact CG1-CE1 3.86Å; V131-Y149 HydrophobicContact CG1-CE2 3.7Å; V131-Y149 HydrophobicContact CG1-CG 3.42Å; V131-Y149 VanDerWaalsContact CG1-CG 3.42Å; V131-Y149 HydrophobicContact CG2-CD2 4.01Å; V131-Y149 HydrophobicContact CG2-CE2 3.74Å
132K94.5Very high95.7Very high96 Ų9614.6 Ų14.642%0.4178%0.081SC..Hα-helixtrans-60.3-53.1-178.2-173-175.3173.8-60.60111.4V45 R47 G130 M135 D136V45-K132 HydrophobicContact CG1-CB 3.57Å; V45-K132 HydrophobicContact CG1-CD 4.3Å; V45-K132 HydrophobicContact CG1-CG 3.69Å; R47-K132 HydrophobicContact CB-CG 4.48Å; G130-K132 PolarHBondContact O-N 3.39Å; G130-K132 VanDerWaalsContact O-N 3.1Å; K132-M135 PolarHBondContact O-N 3.48Å; K132-D136 IonicContact NZ-OD2 3.01Å; K132-D136 PolarHBondContact NZ-OD2 2.76Å; K132-D136 VanDerWaalsContact O-CG 3.28Å; K132-D136 PolarHBondContact O-N 2.95Å
133M95.2Very high95.7Very high24 Ų2415.8 Ų15.812%0.1189%0.088CC..Hα-helixtrans-69-36.6-178.1-177.9174.4-72.200111.7I113 V114 Y116 A125 F128 G129 G130 D136 T137I113-M133 HydrophobicContact CG2-CG 3.95Å; I113-M133 HydrophobicContact CG2-SD 3.58Å; I113-M133 VanDerWaalsContact CG2-SD 3.58Å; V114-M133 WeakPolarHBondContact O-CG 3.47Å; Y116-M133 HydrophobicContact CD2-CE 4.45Å; A125-M133 HydrophobicContact CB-CG 4.15Å; A125-M133 WeakPolarHBondContact O-CB 3.35Å; F128-M133 HydrophobicContact CB-CE 4.48Å; F128-M133 HydrophobicContact CB-SD 3.59Å; F128-M133 VanDerWaalsContact CB-SD 3.59Å; G129-M133 PolarHBondContact O-N 3.38Å; G130-M133 PolarHBondContact O-N 3.24Å; G130-M133 VanDerWaalsContact O-N 3.16Å; M133-D136 PolarHBondContact O-N 2.93Å; M133-T137 WeakPolarHBondContact O-CB 3.36Å; M133-T137 PolarHBondContact O-N 2.81Å; M133-T137 PolarHBondContact O-OG1 3.14Å
134S97.1Very high95.7Very high2 Ų215.5 Ų15.51%0.0149%0.086CC..Hα-helixtrans-58.8-47.5171.4-580000112Y126 G130 V131 T137 I138Y126-S134 WeakPolarHBondContact CA-OG 3.48Å; Y126-S134 VanDerWaalsContact CB-OG 3.32Å; Y126-S134 WeakPolarHBondContact CB-OG 3.42Å; Y126-S134 PolarHBondContact N-OG 2.69Å; Y126-S134 VanDerWaalsContact N-OG 3.17Å; G130-S134 PolarHBondContact O-N 2.94Å; G130-S134 PolarHBondContact O-OG 3.13Å; G130-S134 VanDerWaalsContact O-OG 3.11Å; V131-S134 PolarHBondContact O-N 2.99Å; S134-T137 PolarHBondContact O-N 2.67Å; S134-I138 WeakPolarHBondContact O-CB 3.33Å; S134-I138 VanDerWaalsContact O-CG1 3.23Å; S134-I138 WeakPolarHBondContact O-CG1 3.4Å; S134-I138 PolarHBondContact O-N 3.32Å
135M97Very high95.8Very high2 Ų214.9 Ų14.91%0.018%0.083CC..Hα-helixtrans-63-48.7178.3-72.1179.281.800111.3L68 V131 K132 T137 I138 E139 L146 Y149L68-M135 HydrophobicContact CD2-CG 3.72Å; V131-M135 HydrophobicContact CG1-CG 4.15Å; V131-M135 HydrophobicContact CG1-SD 3.81Å; V131-M135 WeakPolarHBondContact O-CB 3.2Å; V131-M135 VanDerWaalsContact O-CG 3.24Å; V131-M135 WeakPolarHBondContact O-CG 3.37Å; V131-M135 PolarHBondContact O-N 3.46Å; K132-M135 PolarHBondContact O-N 3.48Å; M135-T137 VanDerWaalsContact C-N 3.3Å; M135-T137 PolarHBondContact O-N 3.33Å; M135-I138 PolarHBondContact O-N 3.43Å; M135-E139 WeakPolarHBondContact O-CB 3.34Å; M135-E139 PolarHBondContact O-N 2.64Å; M135-L146 HydrophobicContact CB-CD1 4.17Å; M135-L146 HydrophobicContact CE-CB 3.75Å; M135-L146 VanDerWaalsContact CE-O 3.27Å; M135-L146 WeakPolarHBondContact CE-O 3.2Å; M135-L146 HydrophobicContact CG-CD1 4.3Å; M135-Y149 HydrophobicContact SD-CD1 4.06Å; M135-Y149 HydrophobicContact SD-CG 4.31Å
136D96.1Very high95.8Very high10 Ų1015 Ų155%0.0538%0.084CC..Hα-helixtrans-62.3-38.6-178.6-66.7-18.5000111.7R47 L50 V114 K132 M133 T140R47-D136 IonicContact CZ-OD1 2.86Å; R47-D136 VanDerWaalsContact CZ-OD1 3.25Å; R47-D136 IonicContact NE-OD1 2.98Å; R47-D136 PolarHBondContact NE-OD1 2.94Å; R47-D136 IonicContact NH2-OD1 3.25Å; R47-D136 PolarHBondContact NH2-OD1 3.06Å; L50-D136 HydrophobicContact CD1-CB 4.34Å; V114-D136 HydrophobicContact CB-CB 4.07Å; V114-D136 HydrophobicContact CG1-CB 3.85Å; K132-D136 IonicContact NZ-OD2 3.01Å; K132-D136 PolarHBondContact NZ-OD2 2.76Å; K132-D136 VanDerWaalsContact O-CG 3.28Å; K132-D136 PolarHBondContact O-N 2.95Å; M133-D136 PolarHBondContact O-N 2.93Å; D136-T140 WeakPolarHBondContact O-CB 3.5Å; D136-T140 PolarHBondContact O-N 2.84Å; D136-T140 VanDerWaalsContact O-N 3.13Å; D136-T140 PolarHBondContact O-OG1 3.48Å
137T97.3Very high95.9Very high0 Ų014.3 Ų14.30%08%0.082CC..Hα-helixtrans-66.9-51.2175.6-60.30000112.1T111 K112 I113 V114 L122 A125 M133 S134 M135 E139 T140 L141T111-T137 HydrophobicContact CG2-CG2 3.63Å; K112-T137 WeakPolarHBondContact O-CG2 3.34Å; I113-T137 HydrophobicContact CD1-CG2 4.24Å; V114-T137 PolarHBondContact N-OG1 3Å; V114-T137 VanDerWaalsContact N-OG1 3.1Å; L122-T137 HydrophobicContact CD1-CG2 3.77Å; A125-T137 HydrophobicContact CB-CG2 4.29Å; M133-T137 WeakPolarHBondContact O-CB 3.36Å; M133-T137 PolarHBondContact O-N 2.81Å; M133-T137 PolarHBondContact O-OG1 3.14Å; S134-T137 PolarHBondContact O-N 2.67Å; M135-T137 VanDerWaalsContact C-N 3.3Å; M135-T137 PolarHBondContact O-N 3.33Å; T137-E139 VanDerWaalsContact C-N 3.35Å; T137-E139 PolarHBondContact O-N 2.75Å; T137-T140 PolarHBondContact O-N 2.8Å; T137-L141 WeakPolarHBondContact O-CB 3.49Å; T137-L141 PolarHBondContact O-N 3.34Å
138I98.1Very high96.1Very high0 Ų014.2 Ų14.20%08%0.079CC..Hα-helixtrans-65.7-39.3-179.4-68.3168.7000111.2L68 M88 V90 L105 L122 S134 M135 T140 L141 L142 L146L68-I138 HydrophobicContact CD1-CD1 3.5Å; L68-I138 HydrophobicContact CD2-CD1 3.95Å; L68-I138 HydrophobicContact CG-CD1 4.38Å; M88-I138 HydrophobicContact SD-CD1 4.08Å; V90-I138 HydrophobicContact CG2-CG2 3.68Å; L105-I138 HydrophobicContact CD1-CB 4.47Å; L105-I138 HydrophobicContact CD1-CD1 3.99Å; L105-I138 HydrophobicContact CD1-CG1 3.99Å; L105-I138 HydrophobicContact CD1-CG2 3.63Å; L122-I138 HydrophobicContact CD1-CG1 3.79Å; L122-I138 HydrophobicContact CD2-CG1 4.42Å; L122-I138 HydrophobicContact CG-CG1 4.49Å; S134-I138 WeakPolarHBondContact O-CB 3.33Å; S134-I138 VanDerWaalsContact O-CG1 3.23Å; S134-I138 WeakPolarHBondContact O-CG1 3.4Å; S134-I138 PolarHBondContact O-N 3.32Å; M135-I138 PolarHBondContact O-N 3.43Å; I138-T140 VanDerWaalsContact C-N 3.27Å; I138-T140 PolarHBondContact O-N 3.44Å; I138-L141 PolarHBondContact O-N 2.72Å; I138-L142 HydrophobicContact CG2-CD1 3.62Å; I138-L142 HydrophobicContact CG2-CG 4.09Å; I138-L142 WeakPolarHBondContact O-CB 3.26Å; I138-L142 WeakPolarHBondContact O-CG 3.29Å; I138-L142 PolarHBondContact O-N 3.15Å; I138-L146 HydrophobicContact CB-CD1 3.87Å; I138-L146 HydrophobicContact CG2-CD1 3.78Å
139E96.9Very high96.3Very high0 Ų012.2 Ų12.20%07%0.07CC..Hα-helixtrans-61.7-37175.5169.2157.5143.900112.1R47 S49 L50 K51 M135 T137 D143 I144 L146R47-E139 IonicContact CZ-OE2 3.58Å; R47-E139 VanDerWaalsContact CZ-OE2 3.27Å; R47-E139 IonicContact NH1-OE2 2.86Å; R47-E139 PolarHBondContact NH1-OE2 3.43Å; R47-E139 IonicContact NH2-OE1 2.75Å; R47-E139 PolarHBondContact NH2-OE1 2.78Å; R47-E139 IonicContact NH2-OE2 3.46Å; R47-E139 PolarHBondContact NH2-OE2 3.23Å; S49-E139 VanDerWaalsContact C-OE1 3.22Å; S49-E139 VanDerWaalsContact CA-OE1 3.23Å; S49-E139 WeakPolarHBondContact CA-OE1 3.4Å; S49-E139 WeakPolarHBondContact CB-OE1 3.19Å; S49-E139 VanDerWaalsContact OG-CD 3.22Å; S49-E139 PolarHBondContact OG-OE1 3.36Å; S49-E139 PolarHBondContact OG-OE2 3.03Å; L50-E139 WeakPolarHBondContact CA-OE1 3.23Å; L50-E139 PolarHBondContact N-OE1 3.09Å; K51-E139 HydrophobicContact CB-CG 3.9Å; K51-E139 HydrophobicContact CG-CG 3.38Å; K51-E139 PolarHBondContact N-OE1 3.2Å; M135-E139 WeakPolarHBondContact O-CB 3.34Å; M135-E139 PolarHBondContact O-N 2.64Å; T137-E139 VanDerWaalsContact C-N 3.35Å; T137-E139 PolarHBondContact O-N 2.75Å; E139-D143 WeakPolarHBondContact O-CA 3Å; E139-D143 PolarHBondContact O-N 3.15Å; E139-I144 WeakPolarHBondContact CG-O 3.36Å; E139-L146 HydrophobicContact CB-CD1 4.36Å; E139-L146 HydrophobicContact CB-CG 4.28Å; E139-L146 PolarHBondContact OE2-N 2.83Å
140T95.8Very high96.5Very high21 Ų2112.3 Ų12.313%0.1297%0.065CC..Hα-helixtrans-71.6-42.1175.1-61.40000111.3V114 D136 T137 I138 N315V114-T140 HydrophobicContact CG2-CG2 4.2Å; V114-T140 WeakPolarHBondContact CG2-OG1 3.43Å; D136-T140 WeakPolarHBondContact O-CB 3.5Å; D136-T140 PolarHBondContact O-N 2.84Å; D136-T140 VanDerWaalsContact O-N 3.13Å; D136-T140 PolarHBondContact O-OG1 3.48Å; T137-T140 PolarHBondContact O-N 2.8Å; I138-T140 VanDerWaalsContact C-N 3.27Å; I138-T140 PolarHBondContact O-N 3.44Å; T140-N315 PolarHBondContact O-ND2 3.44Å
141L97.8Very high96.6Very high0 Ų011.9 Ų11.90%06%0.06CC..Hα-helixtrans-63.8-46.4177.1177.161.7000112.7I109 L122 T137 I138 L289 L294 Q298 F325I109-L141 HydrophobicContact CG2-CD2 4.21Å; L122-L141 HydrophobicContact CD1-CD2 4.38Å; L122-L141 HydrophobicContact CD2-CD2 4.38Å; T137-L141 WeakPolarHBondContact O-CB 3.49Å; T137-L141 PolarHBondContact O-N 3.34Å; I138-L141 PolarHBondContact O-N 2.72Å; L141-L289 HydrophobicContact CD1-CD1 3.82Å; L141-L289 HydrophobicContact CD2-CD1 4.46Å; L141-L294 HydrophobicContact CD1-CD1 4.41Å; L141-L294 HydrophobicContact CD1-CD2 4.02Å; L141-Q298 PolarHBondContact O-NE2 2.81Å; L141-F325 HydrophobicContact CD1-CE1 4.4Å
142L98.2Very high96.7Very high0 Ų012.3 Ų12.30%06%0.062CC..Hα-helixtrans-92.6-3.5-174.6-61.3-178.2000114V90 L105 I138 I144 L274 L294 I297 Q298 L301V90-L142 HydrophobicContact CB-CD1 4.03Å; V90-L142 HydrophobicContact CG1-CD1 4.27Å; V90-L142 HydrophobicContact CG2-CD1 3.65Å; L105-L142 HydrophobicContact CD1-CD1 4.15Å; L105-L142 HydrophobicContact CD2-CD1 4.15Å; L105-L142 HydrophobicContact CD2-CD2 4.07Å; I138-L142 HydrophobicContact CG2-CD1 3.62Å; I138-L142 HydrophobicContact CG2-CG 4.09Å; I138-L142 WeakPolarHBondContact O-CB 3.26Å; I138-L142 WeakPolarHBondContact O-CG 3.29Å; I138-L142 PolarHBondContact O-N 3.15Å; L142-I144 HydrophobicContact CB-CG1 3.84Å; L142-I144 PolarHBondContact O-N 2.88Å; L142-I144 VanDerWaalsContact O-N 3.16Å; L142-L274 HydrophobicContact CD2-CD2 3.94Å; L142-L294 HydrophobicContact CD2-CD1 4.24Å; L142-I297 HydrophobicContact CD2-CG2 4.04Å; L142-Q298 VanDerWaalsContact O-CG 3.24Å; L142-Q298 WeakPolarHBondContact O-CG 3.47Å; L142-L301 HydrophobicContact CB-CD1 4.28Å; L142-L301 HydrophobicContact CD1-CD1 3.9Å; L142-L301 HydrophobicContact CD2-CD1 4.41Å; L142-L301 HydrophobicContact CG-CD1 4.45Å
143D97.1Very high96.7Very high27 Ų277.8 Ų7.814%0.1444%0.042CC..THydrogen-bonded Turntrans4941.5179.8-160.951.4000113.5K51 E139 Q298 K302 P314K51-D143 VanDerWaalsContact CD-OD1 3.32Å; K51-D143 WeakPolarHBondContact CD-OD1 3.44Å; K51-D143 VanDerWaalsContact CE-OD1 3.22Å; K51-D143 WeakPolarHBondContact CE-OD1 3.4Å; K51-D143 IonicContact NZ-OD1 2.72Å; K51-D143 PolarHBondContact NZ-OD1 2.99Å; E139-D143 WeakPolarHBondContact O-CA 3Å; E139-D143 PolarHBondContact O-N 3.15Å; D143-Q298 HydrophobicContact CB-CG 4.4Å; D143-K302 WeakPolarHBondContact O-CE 3.45Å; D143-K302 VanDerWaalsContact OD2-CE 3.26Å; D143-K302 WeakPolarHBondContact OD2-CE 3.22Å; D143-K302 IonicContact OD2-NZ 2.62Å; D143-K302 PolarHBondContact OD2-NZ 3.49Å; D143-P314 WeakPolarHBondContact OD2-CG 3.4Å
144I97.4Very high96.5Very high0 Ų08.1 Ų8.10%04%0.044CC..SBendtrans-139.1147175.654.1142.9000110.3V90 T92 E139 L142 L146 L301 K302 L305V90-I144 HydrophobicContact CG1-CD1 3.91Å; T92-I144 HydrophobicContact CG2-CD1 4.27Å; E139-I144 WeakPolarHBondContact CG-O 3.36Å; L142-I144 HydrophobicContact CB-CG1 3.84Å; L142-I144 PolarHBondContact O-N 2.88Å; L142-I144 VanDerWaalsContact O-N 3.16Å; I144-L146 HydrophobicContact CD1-CD2 4.48Å; I144-L146 PolarHBondContact O-N 2.85Å; I144-L301 HydrophobicContact CD1-CB 4.09Å; I144-L301 HydrophobicContact CD1-CD1 3.99Å; I144-L301 HydrophobicContact CD1-CG 4.48Å; I144-L301 HydrophobicContact CG1-CD1 4.34Å; I144-L301 HydrophobicContact CG2-CB 3.99Å; I144-K302 HydrophobicContact CG2-CB 4.48Å; I144-K302 HydrophobicContact CG2-CG 3.51Å; I144-L305 HydrophobicContact CB-CD1 3.98Å; I144-L305 HydrophobicContact CD1-CD1 4Å; I144-L305 HydrophobicContact CG2-CD1 4.15Å
145P96.7Very high96.3Very high1 Ų113.5 Ų13.51%0.0066%0.064CC..  trans-65.1137.3173.729.6-35.4000110.9S49 K51 R52 S66 L307S49-P145 WeakPolarHBondContact OG-CB 3.37Å; K51-P145 HydrophobicContact CB-CB 4.46Å; R52-P145 HydrophobicContact CB-CB 3.8Å; R52-P145 HydrophobicContact CB-CG 4.35Å; S66-P145 WeakPolarHBondContact CB-O 3.39Å; S66-P145 PolarHBondContact OG-O 2.84Å; P145-L307 VanDerWaalsContact CD-CD1 3.46Å; P145-L307 HydrophobicContact CG-CD1 3.95Å
146L97.2Very high96.2Very high3 Ų313.4 Ų13.42%0.0166%0.063CC..  trans-98.4103.8166.6-70.7-179.1000109.9R47 S66 L68 V90 M135 I138 E139 I144R47-L146 PolarHBondContact NH1-O 2.96Å; S66-L146 VanDerWaalsContact OG-CA 3.25Å; S66-L146 WeakPolarHBondContact OG-CA 3.5Å; L68-L146 HydrophobicContact CB-CD1 4.21Å; V90-L146 HydrophobicContact CG1-CD2 3.92Å; V90-L146 HydrophobicContact CG2-CD2 4Å; M135-L146 HydrophobicContact CB-CD1 4.17Å; M135-L146 HydrophobicContact CE-CB 3.75Å; M135-L146 VanDerWaalsContact CE-O 3.27Å; M135-L146 WeakPolarHBondContact CE-O 3.2Å; M135-L146 HydrophobicContact CG-CD1 4.3Å; I138-L146 HydrophobicContact CB-CD1 3.87Å; I138-L146 HydrophobicContact CG2-CD1 3.78Å; E139-L146 HydrophobicContact CB-CD1 4.36Å; E139-L146 HydrophobicContact CB-CG 4.28Å; E139-L146 PolarHBondContact OE2-N 2.83Å; I144-L146 HydrophobicContact CD1-CD2 4.48Å; I144-L146 PolarHBondContact O-N 2.85Å
147D95.9Very high96.2Very high4 Ų414 Ų142%0.0217%0.067CC..  trans-80.4-37.2-170.7-55.9-55.8000112.3R52 K56 P57 F65 S66R52-D147 IonicContact CZ-OD1 2.9Å; R52-D147 VanDerWaalsContact CZ-OD1 3.25Å; R52-D147 IonicContact NE-OD1 2.8Å; R52-D147 PolarHBondContact NE-OD1 3.35Å; R52-D147 IonicContact NH2-OD1 3.1Å; R52-D147 PolarHBondContact NH2-OD1 3.06Å; R52-D147 IonicContact NH2-OD2 3Å; R52-D147 PolarHBondContact NH2-OD2 3.43Å; R52-D147 VanDerWaalsContact NH2-OD2 3.1Å; K56-D147 PolarHBondContact NZ-O 3.41Å; P57-D147 VanDerWaalsContact CD-OD1 3.27Å; P57-D147 WeakPolarHBondContact CD-OD1 3.34Å; P57-D147 HydrophobicContact CG-CB 4.43Å; F65-D147 VanDerWaalsContact CA-OD2 3.3Å; F65-D147 WeakPolarHBondContact CA-OD2 3.42Å; F65-D147 HydrophobicContact CB-CB 4.33Å; S66-D147 PolarHBondContact N-OD2 3.05Å; S66-D147 PolarHBondContact O-N 2.94Å; S66-D147 PolarHBondContact OG-N 3.24Å; S66-D147 PolarHBondContact OG-OD2 3.48Å
148H96.7Very high96.2Very high11 Ų1117 Ų175%0.0518%0.08CC..EExtended strand (participates in β ladder)trans-137.9169.3-178.1-67.9-73.8000112.6F65 S66 I67 L68 D249 L250F65-H148 AromaticContact CD2-CD2 3.86Å; S66-H148 PolarHBondContact O-N 3.08Å; I67-H148 WeakPolarHBondContact CA-O 3.32Å; I67-H148 HydrophobicContact CG1-CB 4.24Å; I67-H148 HydrophobicContact CG2-CB 4.34Å; L68-H148 PolarHBondContact N-O 3.13Å; H148-D249 VanDerWaalsContact CA-OD1 3.24Å; H148-D249 WeakPolarHBondContact CA-OD1 3.5Å; H148-D249 WeakPolarHBondContact CB-OD1 3.5Å; H148-D249 IonicContact CG-OD1 3.73Å; H148-D249 IonicContact ND1-OD1 3.7Å; H148-D249 PolarHBondContact ND1-OD1 2.83Å; H148-D249 IonicContact ND1-OD2 2.82Å; H148-D249 PolarHBondContact ND1-OD2 2.73Å; H148-L250 HydrophobicContact CB-CD2 4.19Å; H148-L250 HydrophobicContact CB-CG 4.29Å; H148-L250 WeakPolarHBondContact ND1-CD2 3.25Å
149Y97.5Very high96.2Very high1 Ų119.3 Ų19.30%0.0049%0.092CC..EExtended strand (participates in β ladder)trans-140.7158.6168.879.7-81000112.5Q43 V45 L68 V131 M135 K247 T248 D249Q43-Y149 WeakPolarHBondContact CB-OH 3.47Å; Q43-Y149 PolarHBondContact O-OH 3.47Å; V45-Y149 HydrophobicContact CG2-CD1 4.39Å; V45-Y149 HydrophobicContact CG2-CE1 3.7Å; L68-Y149 CarbonylContact O-C 3.47Å; L68-Y149 WeakPolarHBondContact O-CA 3.36Å; V131-Y149 HydrophobicContact CB-CD2 4.4Å; V131-Y149 HydrophobicContact CB-CE2 4.3Å; V131-Y149 HydrophobicContact CG1-CD1 3.64Å; V131-Y149 HydrophobicContact CG1-CD2 3.46Å; V131-Y149 VanDerWaalsContact CG1-CD2 3.46Å; V131-Y149 HydrophobicContact CG1-CE1 3.86Å; V131-Y149 HydrophobicContact CG1-CE2 3.7Å; V131-Y149 HydrophobicContact CG1-CG 3.42Å; V131-Y149 VanDerWaalsContact CG1-CG 3.42Å; V131-Y149 HydrophobicContact CG2-CD2 4.01Å; V131-Y149 HydrophobicContact CG2-CE2 3.74Å; M135-Y149 HydrophobicContact SD-CD1 4.06Å; M135-Y149 HydrophobicContact SD-CG 4.31Å; Y149-K247 HydrophobicContact CE2-CB 4.23Å; Y149-T248 VanDerWaalsContact O-CA 3.29Å; Y149-T248 WeakPolarHBondContact O-CA 3.33Å; Y149-T248 VanDerWaalsContact O-CB 3.26Å; Y149-T248 WeakPolarHBondContact O-CB 3.45Å; Y149-T248 PolarHBondContact O-OG1 3.43Å; Y149-D249 HydrophobicContact CD1-CB 4.15Å; Y149-D249 HydrophobicContact CE1-CB 3.8Å; Y149-D249 PolarHBondContact N-OD1 3.46Å; Y149-D249 VanDerWaalsContact N-OD1 3.1Å
150V97.2Very high96.2Very high30 Ų3020.7 Ų20.718%0.18210%0.099CC..EExtended strand (participates in β ladder)trans-133.5118.8163.31790000107.1I67 L68 L69 A70 M246 K247 L250I67-V150 HydrophobicContact CG2-CG2 4.18Å; L68-V150 PolarHBondContact O-N 2.98Å; L69-V150 CarbonylContact C-O 3.5Å; L69-V150 WeakPolarHBondContact CA-O 3.4Å; L69-V150 HydrophobicContact CD2-CB 3.85Å; L69-V150 HydrophobicContact CD2-CG2 4.2Å; A70-V150 PolarHBondContact N-O 3.49Å; V150-M246 HydrophobicContact CG1-CG 3.88Å; V150-M246 HydrophobicContact CG1-SD 3.84Å; V150-K247 CarbonylContact C-O 3.53Å; V150-K247 WeakPolarHBondContact CA-O 3.29Å; V150-L250 HydrophobicContact CG2-CD1 4.44Å
151S95.7Very high96.3Very high0 Ų019.7 Ų19.70%09%0.093CC..EExtended strand (participates in β ladder)trans-108.6134.7170.264.20000110.1A70 M246 K247A70-S151 CarbonylContact O-C 3.52Å; A70-S151 WeakPolarHBondContact O-CA 3.36Å; S151-M246 CarbonylContact O-C 3.47Å; S151-M246 VanDerWaalsContact O-CA 3.28Å; S151-M246 WeakPolarHBondContact O-CA 3.35Å; S151-K247 PolarHBondContact N-O 3.09Å; S151-K247 PolarHBondContact O-N 2.82Å; S151-K247 WeakPolarHBondContact OG-CB 3.41Å
152I95Very high96.3Very high26 Ų2623.6 Ų23.613%0.13311%0.114CC..EExtended strand (participates in β ladder)trans-138.2138.6-178.7-162.1170000109.9A70 G71 V72 G156 L160 N245 M246A70-I152 PolarHBondContact O-N 2.68Å; G71-I152 WeakPolarHBondContact CA-O 3.23Å; V72-I152 PolarHBondContact N-O 3.36Å; I152-G156 WeakPolarHBondContact CD1-O 3.39Å; I152-L160 HydrophobicContact CD1-CB 4.35Å; I152-L160 HydrophobicContact CD1-CD2 3.91Å; I152-N245 WeakPolarHBondContact CA-O 3.43Å; I152-N245 WeakPolarHBondContact CG1-O 3.39Å; I152-M246 HydrophobicContact CG1-CB 4.3Å
153N93.8Very high96.2Very high1 Ų125.2 Ų25.21%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-90.2176.9173.774.815.1000111.7V72 T74 G75 R155 G156 L157 N245V72-N153 HydrophobicContact CG2-CB 3.94Å; V72-N153 WeakPolarHBondContact O-CA 3.49Å; T74-N153 VanDerWaalsContact O-CB 3.29Å; T74-N153 WeakPolarHBondContact O-CB 3.45Å; T74-N153 PolarHBondContact O-ND2 2.93Å; G75-N153 PolarHBondContact O-ND2 3.04Å; N153-R155 VanDerWaalsContact C-N 3.29Å; N153-R155 PolarHBondContact O-N 2.8Å; N153-R155 WeakPolarHBondContact OD1-CB 3.35Å; N153-R155 PolarHBondContact OD1-N 3Å; N153-R155 VanDerWaalsContact OD1-N 3.07Å; N153-G156 PolarHBondContact O-N 3.33Å; N153-G156 PolarHBondContact OD1-N 3.27Å; N153-L157 PolarHBondContact O-N 3.4Å; N153-N245 PolarHBondContact N-O 2.76Å; N153-N245 PolarHBondContact ND2-OD1 3.34Å; N153-N245 VanDerWaalsContact OD1-CB 3.28Å; N153-N245 WeakPolarHBondContact OD1-CB 3.42Å; N153-N245 PolarHBondContact OD1-OD1 2.91Å
154M92.6Very high96.2Very high32 Ų3224.4 Ų24.416%0.15812%0.123CC..Hα-helixtrans-60.3-36.6-178-60.7-56.8113.500113.1V72 L157 K158 L195V72-M154 WeakPolarHBondContact O-CE 3.17Å; M154-L157 PolarHBondContact O-N 3.4Å; M154-K158 PolarHBondContact O-N 2.89Å; M154-L195 HydrophobicContact CB-CD1 4.09Å; M154-L195 HydrophobicContact CB-CD2 4.14Å; M154-L195 HydrophobicContact CG-CD1 4.35Å; M154-L195 HydrophobicContact SD-CD1 3.56Å; M154-L195 VanDerWaalsContact SD-CD1 3.56Å
155R93.1Very high96.2Very high114 Ų11427.1 Ų27.143%0.4315%0.152SC..Hα-helixtrans-67.1-45.8176.6-175.2177.8-73155.3-2110.9D76 N153 L157 K158 D159 N245D76-R155 IonicContact OD1-CZ 2.98Å; D76-R155 IonicContact OD1-NH1 2.96Å; D76-R155 PolarHBondContact OD1-NH1 3.38Å; D76-R155 IonicContact OD2-NH1 2.67Å; N153-R155 VanDerWaalsContact C-N 3.29Å; N153-R155 PolarHBondContact O-N 2.8Å; N153-R155 WeakPolarHBondContact OD1-CB 3.35Å; N153-R155 PolarHBondContact OD1-N 3Å; N153-R155 VanDerWaalsContact OD1-N 3.07Å; R155-L157 VanDerWaalsContact C-N 3.27Å; R155-L157 PolarHBondContact O-N 2.92Å; R155-K158 WeakPolarHBondContact O-CB 3.29Å; R155-K158 PolarHBondContact O-N 3.37Å; R155-K158 VanDerWaalsContact O-N 3.09Å; R155-D159 VanDerWaalsContact O-CG 3.26Å; R155-D159 PolarHBondContact O-N 3.09Å; R155-N245 VanDerWaalsContact CD-ND2 3.32Å; R155-N245 WeakPolarHBondContact CD-ND2 3.24Å; R155-N245 WeakPolarHBondContact CG-ND2 3.48Å
156G94.8Very high96.2Very high0 Ų027.2 Ų27.20%015%0.153CC..Hα-helixtrans-59.8-37.4177.100000112.5I152 N153 D159 L160I152-G156 WeakPolarHBondContact CD1-O 3.39Å; N153-G156 PolarHBondContact O-N 3.33Å; N153-G156 PolarHBondContact OD1-N 3.27Å; G156-D159 PolarHBondContact O-N 3.4Å; G156-L160 WeakPolarHBondContact O-CB 3.38Å; G156-L160 PolarHBondContact O-N 2.86Å
157L96.4Very high96.3Very high24 Ų2427.1 Ų27.113%0.12615%0.152CC..Hα-helixtrans-62.4-43.2174.8-178.661.5000111.8N153 M154 R155 L160 I161 L195 A198 V218 I222N153-L157 PolarHBondContact O-N 3.4Å; M154-L157 PolarHBondContact O-N 3.4Å; R155-L157 VanDerWaalsContact C-N 3.27Å; R155-L157 PolarHBondContact O-N 2.92Å; L157-L160 PolarHBondContact O-N 3.47Å; L157-I161 HydrophobicContact CD1-CD1 4.1Å; L157-I161 HydrophobicContact CD1-CG1 4.38Å; L157-I161 HydrophobicContact CG-CD1 4.11Å; L157-I161 VanDerWaalsContact O-CG1 3.28Å; L157-I161 WeakPolarHBondContact O-CG1 3.36Å; L157-I161 PolarHBondContact O-N 3.43Å; L157-I161 VanDerWaalsContact O-N 3.08Å; L157-L195 HydrophobicContact CD2-CD1 3.94Å; L157-A198 HydrophobicContact CD2-CB 4.25Å; L157-V218 HydrophobicContact CD1-CG1 4.03Å; L157-I222 HydrophobicContact CD1-CD1 3.76Å
158K96.9Very high96.4Very high63 Ų6332.3 Ų32.327%0.27418%0.177SC..Hα-helixtrans-60.8-52.9175.2-63-167.2-71.6178.40111M154 R155 L160 I161 D162 G191 E192 L195M154-K158 PolarHBondContact O-N 2.89Å; R155-K158 WeakPolarHBondContact O-CB 3.29Å; R155-K158 PolarHBondContact O-N 3.37Å; R155-K158 VanDerWaalsContact O-N 3.09Å; K158-L160 PolarHBondContact O-N 3.21Å; K158-I161 PolarHBondContact O-N 3.17Å; K158-I161 VanDerWaalsContact O-N 3.14Å; K158-D162 PolarHBondContact O-N 2.98Å; K158-G191 WeakPolarHBondContact CG-O 3.39Å; K158-G191 WeakPolarHBondContact O-CA 3.36Å; K158-E192 HydrophobicContact CD-CG 4.32Å; K158-L195 HydrophobicContact CD-CB 4.29Å; K158-L195 HydrophobicContact CD-CD2 3.71Å; K158-L195 HydrophobicContact CG-CB 3.78Å; K158-L195 HydrophobicContact CG-CD2 3.74Å; K158-L195 HydrophobicContact CG-CG 4.34Å
159D96.7Very high96.4Very high48 Ų4832.1 Ų32.126%0.25718%0.176SC..Hα-helixtrans-58-39.2-178.6-62.4-24.3000111.3R155 G156 A163 A241 N245R155-D159 VanDerWaalsContact O-CG 3.26Å; R155-D159 PolarHBondContact O-N 3.09Å; G156-D159 PolarHBondContact O-N 3.4Å; D159-A163 WeakPolarHBondContact O-CB 3.47Å; D159-A163 PolarHBondContact O-N 3.24Å; D159-A241 HydrophobicContact CB-CB 4.33Å; D159-N245 PolarHBondContact OD2-ND2 2.83Å
160L97.4Very high96.4Very high28 Ų2835.1 Ų35.115%0.14719%0.192CC..Hα-helixtrans-66.3-45.6177.7-17752.8000112.2I152 G156 L157 K158 D162 A163 V164 I222 I238 V242I152-L160 HydrophobicContact CD1-CB 4.35Å; I152-L160 HydrophobicContact CD1-CD2 3.91Å; G156-L160 WeakPolarHBondContact O-CB 3.38Å; G156-L160 PolarHBondContact O-N 2.86Å; L157-L160 PolarHBondContact O-N 3.47Å; K158-L160 PolarHBondContact O-N 3.21Å; L160-D162 VanDerWaalsContact C-N 3.34Å; L160-A163 PolarHBondContact O-N 2.72Å; L160-V164 HydrophobicContact CD1-CG1 4.25Å; L160-V164 WeakPolarHBondContact O-CG1 3.45Å; L160-V164 WeakPolarHBondContact O-CG2 3.36Å; L160-V164 PolarHBondContact O-N 2.8Å; L160-I222 HydrophobicContact CD1-CG2 4.25Å; L160-I222 HydrophobicContact CD2-CD1 4.25Å; L160-I222 HydrophobicContact CD2-CG2 3.82Å; L160-I222 HydrophobicContact CG-CD1 4.38Å; L160-I222 HydrophobicContact CG-CG2 3.82Å; L160-I238 HydrophobicContact CD1-CG2 3.56Å; L160-V242 HydrophobicContact CB-CG1 3.67Å; L160-V242 HydrophobicContact CD1-CG1 4.06Å; L160-V242 HydrophobicContact CG-CG1 4.34Å
161I98.3Very high96.2Very high0 Ų033.8 Ų33.80%018%0.184CC..Hα-helixtrans-62.3-44.3178.6-69.1171000110.2L157 K158 V164 G165 G166 I167 L189 D190 V218 I222L157-I161 HydrophobicContact CD1-CD1 4.1Å; L157-I161 HydrophobicContact CD1-CG1 4.38Å; L157-I161 HydrophobicContact CG-CD1 4.11Å; L157-I161 VanDerWaalsContact O-CG1 3.28Å; L157-I161 WeakPolarHBondContact O-CG1 3.36Å; L157-I161 PolarHBondContact O-N 3.43Å; L157-I161 VanDerWaalsContact O-N 3.08Å; K158-I161 PolarHBondContact O-N 3.17Å; K158-I161 VanDerWaalsContact O-N 3.14Å; I161-V164 VanDerWaalsContact O-CG2 3.28Å; I161-V164 WeakPolarHBondContact O-CG2 3.35Å; I161-V164 PolarHBondContact O-N 3.42Å; I161-G165 PolarHBondContact O-N 2.85Å; I161-G166 WeakPolarHBondContact O-CA 3.36Å; I161-G166 PolarHBondContact O-N 3.39Å; I161-I167 HydrophobicContact CD1-CD1 4.19Å; I161-I167 HydrophobicContact CG2-CG1 4.22Å; I161-L189 WeakPolarHBondContact CG2-O 3.18Å; I161-D190 VanDerWaalsContact CG2-C 3.47Å; I161-D190 WeakPolarHBondContact CG2-O 3.46Å; I161-V218 HydrophobicContact CD1-CG1 4.02Å; I161-I222 HydrophobicContact CD1-CD1 4.37Å; I161-I222 HydrophobicContact CG1-CD1 3.7Å; I161-I222 HydrophobicContact CG1-CG1 4.02Å
162D98.1Very high96Very high83 Ų8339.3 Ų39.344%0.44421%0.208SC..Hα-helixtrans-64.2-42.3176.4-71.8-29.5000111.7K158 L160 V164 G165 G191K158-D162 PolarHBondContact O-N 2.98Å; L160-D162 VanDerWaalsContact C-N 3.34Å; D162-V164 VanDerWaalsContact C-N 3.29Å; D162-V164 PolarHBondContact O-N 3.13Å; D162-G165 PolarHBondContact O-N 2.97Å; D162-G191 PolarHBondContact OD1-N 2.68Å
163A96.4Very high95.8Very high34 Ų3439.8 Ų39.828%0.28121%0.21SC..Hα-helixtrans-66.4-28.1-179.200000113.7D159 L160 G165 I238 A241D159-A163 WeakPolarHBondContact O-CB 3.47Å; D159-A163 PolarHBondContact O-N 3.24Å; L160-A163 PolarHBondContact O-N 2.72Å; A163-G165 VanDerWaalsContact C-N 3.28Å; A163-I238 HydrophobicContact CB-CB 4.38Å; A163-I238 HydrophobicContact CB-CG1 4.05Å; A163-A241 HydrophobicContact CB-CB 3.74Å
164V96.5Very high95.8Very high9 Ų943.8 Ų43.86%0.05523%0.232CC..THydrogen-bonded Turntrans-86.22.9172.2-56.80000113.5L160 I161 D162 I222 K225 A226 I229 I238L160-V164 HydrophobicContact CD1-CG1 4.25Å; L160-V164 WeakPolarHBondContact O-CG1 3.45Å; L160-V164 WeakPolarHBondContact O-CG2 3.36Å; L160-V164 PolarHBondContact O-N 2.8Å; I161-V164 VanDerWaalsContact O-CG2 3.28Å; I161-V164 WeakPolarHBondContact O-CG2 3.35Å; I161-V164 PolarHBondContact O-N 3.42Å; D162-V164 VanDerWaalsContact C-N 3.29Å; D162-V164 PolarHBondContact O-N 3.13Å; V164-I222 HydrophobicContact CG1-CG2 4.45Å; V164-K225 HydrophobicContact CB-CB 3.88Å; V164-K225 HydrophobicContact CG2-CB 3.96Å; V164-K225 HydrophobicContact CG2-CG 4.48Å; V164-A226 HydrophobicContact CG1-CB 4.47Å; V164-I229 HydrophobicContact CB-CD1 4.24Å; V164-I229 HydrophobicContact CG1-CD1 4.43Å; V164-I238 HydrophobicContact CG1-CD1 4.06Å; V164-I238 HydrophobicContact CG1-CG1 4.38Å
165G96.3Very high95.9Very high58 Ų5842.4 Ų42.460%0.59823%0.225SC*.THydrogen-bonded Turntrans80.526.2178.400000114.3I161 D162 A163I161-G165 PolarHBondContact O-N 2.85Å; D162-G165 PolarHBondContact O-N 2.97Å; A163-G165 VanDerWaalsContact C-N 3.28Å
166G97.9Very high95.9Very high3 Ų340.4 Ų40.43%0.03123%0.226CC..  trans82.8167.1-178.900000114.5I161 L189 K225I161-G166 WeakPolarHBondContact O-CA 3.36Å; I161-G166 PolarHBondContact O-N 3.39Å; G166-L189 CarbonylContact C-O 3.52Å; G166-L189 WeakPolarHBondContact CA-O 3.32Å; G166-K225 WeakPolarHBondContact O-CE 3.48Å
167I98.1Very high95.8Very high0 Ų041.9 Ų41.90%023%0.233CC..EExtended strand (participates in β ladder)trans-121.5137-178.357.5172.8000112.3I161 V169 T188 L189 V218 K221 I222I161-I167 HydrophobicContact CD1-CD1 4.19Å; I161-I167 HydrophobicContact CG2-CG1 4.22Å; I167-V169 HydrophobicContact CD1-CG1 4.41Å; I167-T188 CarbonylContact O-C 3.56Å; I167-T188 WeakPolarHBondContact O-CA 3.21Å; I167-L189 HydrophobicContact CD1-CD1 4.4Å; I167-L189 HydrophobicContact CG1-CB 3.94Å; I167-L189 HydrophobicContact CG1-CD1 4.41Å; I167-L189 HydrophobicContact CG1-CG 4.45Å; I167-L189 PolarHBondContact N-O 3.02Å; I167-L189 PolarHBondContact O-N 2.85Å; I167-V218 HydrophobicContact CD1-CB 4.14Å; I167-V218 HydrophobicContact CD1-CG1 3.95Å; I167-V218 HydrophobicContact CD1-CG2 3.77Å; I167-K221 HydrophobicContact CB-CB 3.81Å; I167-K221 HydrophobicContact CG2-CB 3.77Å; I167-I222 HydrophobicContact CG2-CG1 3.91Å
168E98.1Very high95.5Very high114 Ų11445.8 Ų45.853%0.53325%0.254SS..EExtended strand (participates in β ladder)trans-90.7117.3178.4-66.9-179.2140.900111.4Q187 K221E168-Q187 WeakPolarHBondContact CA-O 3.39Å; E168-K221 WeakPolarHBondContact O-CD 3.44Å; E168-K221 VanDerWaalsContact O-CE 3.31Å; E168-K221 WeakPolarHBondContact O-CE 3.32Å; E168-K221 PolarHBondContact O-NZ 3.09Å
169V97.4Very high95.3Very high6 Ų646.1 Ų46.14%0.03628%0.275CS..EExtended strand (participates in β ladder)trans-121.1162.2176.6-54.60000110.9I167 N171 K186 Q187 L189 Y197I167-V169 HydrophobicContact CD1-CG1 4.41Å; V169-N171 HydrophobicContact CG2-CB 4.42Å; V169-K186 WeakPolarHBondContact O-CA 3.14Å; V169-Q187 HydrophobicContact CG2-CG 4.06Å; V169-Q187 PolarHBondContact N-O 3.35Å; V169-Q187 PolarHBondContact O-N 2.98Å; V169-L189 HydrophobicContact CB-CD1 4.44Å; V169-L189 HydrophobicContact CG1-CD1 3.92Å; V169-L189 HydrophobicContact CG1-CG 4.44Å; V169-L189 HydrophobicContact CG2-CD1 3.64Å; V169-L189 HydrophobicContact CG2-CD2 4.1Å; V169-L189 HydrophobicContact CG2-CG 3.79Å; V169-Y197 HydrophobicContact CB-CE1 4.44Å; V169-Y197 HydrophobicContact CG1-CD1 4.45Å; V169-Y197 HydrophobicContact CG1-CE1 4.02Å; V169-Y197 HydrophobicContact CG2-CE2 4.35Å
170N96.7Very high95.3Very high64 Ų6445.9 Ų45.934%0.34227%0.274SS..EExtended strand (participates in β ladder)trans-116.380.1167.6-176.621.3000109K172 G185 K186N170-K172 PolarHBondContact ND2-NZ 3.46Å; N170-K172 WeakPolarHBondContact O-CE 3.4Å; N170-K172 PolarHBondContact O-N 2.98Å; N170-G185 CarbonylContact C-O 3.58Å; N170-K186 HydrophobicContact CB-CG 4.17Å; N170-K186 PolarHBondContact OD1-N 2.87Å
171N94.7Very high95.3Very high3 Ų348.6 Ų48.62%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-60.5134.7-174.6-175.118.6000110.8V169 I173 V182 P183 G185 Y197V169-N171 HydrophobicContact CG2-CB 4.42Å; N171-I173 PolarHBondContact ND2-O 3.5Å; N171-I173 PolarHBondContact OD1-N 3.23Å; N171-I173 PolarHBondContact OD1-O 3.09Å; N171-I173 VanDerWaalsContact OD1-O 3.14Å; N171-V182 WeakPolarHBondContact ND2-CG1 3.36Å; N171-V182 PolarHBondContact ND2-O 3.47Å; N171-P183 PolarHBondContact ND2-O 3.1Å; N171-G185 PolarHBondContact N-O 2.65Å; N171-G185 PolarHBondContact O-N 3.03Å; N171-Y197 HydrophobicContact CB-CE2 4.08Å
172K91.8Very high95.2Very high116 Ų11648.6 Ų48.650%0.50429%0.285SS..  trans-95.5-20.8-175.4-58.2-54.8-176.6-177.50113.3N170 K184N170-K172 PolarHBondContact ND2-NZ 3.46Å; N170-K172 WeakPolarHBondContact O-CE 3.4Å; N170-K172 PolarHBondContact O-N 2.98Å; K172-K184 WeakPolarHBondContact O-CD 3.38Å; K172-K184 WeakPolarHBondContact O-CE 3.49Å
173I89.6Confident95.1Very high35 Ų3546.9 Ų46.918%0.17928%0.279CS..SBendtrans-127128.7-169.7-59.7161.5000107.5N171 F175 M200 E203 D204N171-I173 PolarHBondContact ND2-O 3.5Å; N171-I173 PolarHBondContact OD1-N 3.23Å; N171-I173 PolarHBondContact OD1-O 3.09Å; N171-I173 VanDerWaalsContact OD1-O 3.14Å; I173-F175 HydrophobicContact CG2-CB 4.46Å; I173-F175 WeakPolarHBondContact O-CD1 3.21Å; I173-M200 HydrophobicContact CB-CE 4.35Å; I173-M200 HydrophobicContact CD1-CE 3.79Å; I173-M200 HydrophobicContact CG2-CE 4.39Å; I173-E203 HydrophobicContact CG2-CB 4.28Å; I173-D204 HydrophobicContact CD1-CB 4.34Å
174D93.7Very high95Very high86 Ų8652.2 Ų52.246%0.4630%0.295SS..  trans-82.1124.4171.7-167.6-79.9000108H181 P183 K184D174-H181 IonicContact OD1-CE1 3.75Å; D174-H181 PolarHBondContact OD1-CE1 3.11Å; D174-H181 VanDerWaalsContact OD1-CE1 3.23Å; D174-H181 IonicContact OD2-CE1 2.75Å; D174-P183 WeakPolarHBondContact OD2-CA 3.48Å; D174-K184 HydrophobicContact CB-CB 4.1Å; D174-K184 PolarHBondContact OD2-N 3.11Å
175F94.2Very high95.1Very high2 Ų252.7 Ų52.71%0.00930%0.303CS..EExtended strand (participates in β ladder)trans-150.6165.1-173.974.5-94.7000113I173 L177 H181 V182 A196 Y197 M200 E203I173-F175 HydrophobicContact CG2-CB 4.46Å; I173-F175 WeakPolarHBondContact O-CD1 3.21Å; F175-L177 HydrophobicContact CD2-CB 4.24Å; F175-L177 HydrophobicContact CE2-CB 4.13Å; F175-H181 PolarHBondContact O-ND1 3.34Å; F175-V182 HydrophobicContact CD1-CB 4.18Å; F175-V182 HydrophobicContact CE1-CB 3.6Å; F175-V182 HydrophobicContact CE1-CG1 3.96Å; F175-V182 HydrophobicContact CE1-CG2 4.16Å; F175-V182 HydrophobicContact CE2-CB 4.01Å; F175-V182 HydrophobicContact CE2-CG2 3.79Å; F175-V182 HydrophobicContact CZ-CB 3.48Å; F175-V182 VanDerWaalsContact CZ-CB 3.48Å; F175-V182 HydrophobicContact CZ-CG1 4.06Å; F175-V182 HydrophobicContact CZ-CG2 3.49Å; F175-V182 VanDerWaalsContact CZ-CG2 3.49Å; F175-V182 PolarHBondContact N-O 3.48Å; F175-V182 PolarHBondContact O-N 2.84Å; F175-A196 HydrophobicContact CE2-CB 4.42Å; F175-Y197 HydrophobicContact CE1-CD2 4.21Å; F175-Y197 HydrophobicContact CZ-CD2 4.44Å; F175-M200 HydrophobicContact CB-CG 4.39Å; F175-M200 HydrophobicContact CD1-CE 4.12Å; F175-M200 HydrophobicContact CD1-CG 4.07Å; F175-M200 HydrophobicContact CD2-CB 4.06Å; F175-M200 HydrophobicContact CD2-CG 3.6Å; F175-M200 HydrophobicContact CE1-CB 4.3Å; F175-M200 HydrophobicContact CE1-CE 4.34Å; F175-M200 HydrophobicContact CE1-CG 4.22Å; F175-M200 HydrophobicContact CE2-CB 3.7Å; F175-M200 HydrophobicContact CE2-CG 3.8Å; F175-M200 HydrophobicContact CG-CG 3.78Å; F175-M200 HydrophobicContact CZ-CB 3.85Å; F175-M200 HydrophobicContact CZ-CG 4.12Å; F175-E203 WeakPolarHBondContact CA-OE2 3.44Å; F175-E203 HydrophobicContact CB-CB 4.27Å; F175-E203 HydrophobicContact CB-CG 4.43Å; F175-E203 WeakPolarHBondContact CB-OE1 3.14Å; F175-E203 VanDerWaalsContact CB-OE2 3.22Å; F175-E203 WeakPolarHBondContact CB-OE2 3.15Å
176T94.1Very high95.2Very high73 Ų7358.8 Ų58.845%0.44831%0.312SS..EExtended strand (participates in β ladder)trans-135.6120.3171.7-57.30000110.2I180 H181T176-I180 WeakPolarHBondContact CA-O 3.24Å; T176-H181 PolarHBondContact OG1-ND1 3.04Å
177L91.9Very high95.1Very high31 Ų3160.2 Ų60.216%0.16232%0.318CS..EExtended strand (participates in β ladder)trans-122.9129.7178.4-177.867.8000109.6F175 G179 I180 A196 R199F175-L177 HydrophobicContact CD2-CB 4.24Å; F175-L177 HydrophobicContact CE2-CB 4.13Å; L177-G179 PolarHBondContact O-N 2.8Å; L177-G179 VanDerWaalsContact O-N 3.13Å; L177-I180 PolarHBondContact N-O 2.97Å; L177-I180 WeakPolarHBondContact O-CA 3.3Å; L177-I180 WeakPolarHBondContact O-CB 3.12Å; L177-I180 PolarHBondContact O-N 3.1Å; L177-A196 HydrophobicContact CB-CB 4.48Å; L177-R199 HydrophobicContact CD2-CB 3.73Å
178D90.1Very high95.1Very high106 Ų10663.8 Ų63.857%0.56734%0.34SS*.THydrogen-bonded Turntrans51.735.4179.8-57.7-26.2000113.4I180 R199D178-I180 PolarHBondContact O-N 3.16Å; D178-R199 IonicContact OD2-CZ 2.82Å; D178-R199 IonicContact OD2-NH1 3.72Å; D178-R199 PolarHBondContact OD2-NH1 3.42Å; D178-R199 IonicContact OD2-NH2 3.09Å
179G94Very high95.1Very high69 Ų6958.3 Ų58.371%0.71132%0.315SS*.THydrogen-bonded Turntrans78.9-3.1-176.500000115.1L177L177-G179 PolarHBondContact O-N 2.8Å; L177-G179 VanDerWaalsContact O-N 3.13Å
180I95.8Very high95.2Very high43 Ų4361.1 Ų61.122%0.22133%0.33CS..EExtended strand (participates in β ladder)trans-91.9110.6177-52.8-57.9000109.7T176 L177 D178 V182 E192 K193 A196T176-I180 WeakPolarHBondContact CA-O 3.24Å; L177-I180 PolarHBondContact N-O 2.97Å; L177-I180 WeakPolarHBondContact O-CA 3.3Å; L177-I180 WeakPolarHBondContact O-CB 3.12Å; L177-I180 PolarHBondContact O-N 3.1Å; D178-I180 PolarHBondContact O-N 3.16Å; I180-V182 HydrophobicContact CG2-CG2 4.43Å; I180-E192 HydrophobicContact CD1-CB 4.34Å; I180-K193 HydrophobicContact CG2-CB 4.42Å; I180-K193 HydrophobicContact CG2-CG 3.75Å; I180-A196 HydrophobicContact CB-CB 4.07Å; I180-A196 HydrophobicContact CG2-CB 3.93Å
181H96.9Very high95.2Very high86 Ų8658.1 Ų58.140%0.39831%0.313SS..EExtended strand (participates in β ladder)trans-84.2127.7176.3178.459.7000111.4D174 F175 T176D174-H181 IonicContact OD1-CE1 3.75Å; D174-H181 PolarHBondContact OD1-CE1 3.11Å; D174-H181 VanDerWaalsContact OD1-CE1 3.23Å; D174-H181 IonicContact OD2-CE1 2.75Å; F175-H181 PolarHBondContact O-ND1 3.34Å; T176-H181 PolarHBondContact OG1-ND1 3.04Å
182V96.4Very high95.4Very high0 Ų063.2 Ų63.20%034%0.337CS..EExtended strand (participates in β ladder)trans-120.4101.2175.6-170.70000108.7N171 F175 I180 L189 K193 A196 Y197N171-V182 WeakPolarHBondContact ND2-CG1 3.36Å; N171-V182 PolarHBondContact ND2-O 3.47Å; F175-V182 HydrophobicContact CD1-CB 4.18Å; F175-V182 HydrophobicContact CE1-CB 3.6Å; F175-V182 HydrophobicContact CE1-CG1 3.96Å; F175-V182 HydrophobicContact CE1-CG2 4.16Å; F175-V182 HydrophobicContact CE2-CB 4.01Å; F175-V182 HydrophobicContact CE2-CG2 3.79Å; F175-V182 HydrophobicContact CZ-CB 3.48Å; F175-V182 VanDerWaalsContact CZ-CB 3.48Å; F175-V182 HydrophobicContact CZ-CG1 4.06Å; F175-V182 HydrophobicContact CZ-CG2 3.49Å; F175-V182 VanDerWaalsContact CZ-CG2 3.49Å; F175-V182 PolarHBondContact N-O 3.48Å; F175-V182 PolarHBondContact O-N 2.84Å; I180-V182 HydrophobicContact CG2-CG2 4.43Å; V182-L189 HydrophobicContact CG1-CD2 3.97Å; V182-K193 HydrophobicContact CG2-CB 4.3Å; V182-K193 HydrophobicContact CG2-CG 4.45Å; V182-A196 HydrophobicContact CG2-CB 4.2Å; V182-Y197 HydrophobicContact CG1-CD2 4.44Å
183P95.6Very high95.7Very high46 Ų4661.1 Ų61.130%0.29933%0.328SS..  trans-68.2161-174.426.1-35.1000112.2N171 D174 Q187N171-P183 PolarHBondContact ND2-O 3.1Å; D174-P183 WeakPolarHBondContact OD2-CA 3.48Å; P183-Q187 PolarHBondContact O-NE2 2.89Å
184K95.8Very high96.1Very high146 Ų14659.4 Ų59.464%0.63532%0.319SS*.SBendtrans-69.6142.3170-176.3172.3-178.5166.30111.9K172 D174K172-K184 WeakPolarHBondContact O-CD 3.38Å; K172-K184 WeakPolarHBondContact O-CE 3.49Å; D174-K184 HydrophobicContact CB-CB 4.1Å; D174-K184 PolarHBondContact OD2-N 3.11Å
185G97.4Very high96.2Very high20 Ų2056.2 Ų56.221%0.20630%0.302CS..EExtended strand (participates in β ladder)trans111.8-170.3173.100000115N170 N171 Q187N170-G185 CarbonylContact C-O 3.58Å; N171-G185 PolarHBondContact N-O 2.65Å; N171-G185 PolarHBondContact O-N 3.03Å; G185-Q187 PolarHBondContact O-NE2 3.44Å
186K97.9Very high96.2Very high185 Ų18556.3 Ų56.380%0.80430%0.304SS*.EExtended strand (participates in β ladder)trans-73.3127.7-179.9-68.7-175.1-178.9-179.20110.8V169 N170V169-K186 WeakPolarHBondContact O-CA 3.14Å; N170-K186 HydrophobicContact CB-CG 4.17Å; N170-K186 PolarHBondContact OD1-N 2.87Å
187Q97.6Very high96.3Very high33 Ų3353.1 Ų53.115%0.15428%0.283CS..EExtended strand (participates in β ladder)trans-157.8162.6178.468.1-163-74.500111.5E168 V169 P183 G185 L189E168-Q187 WeakPolarHBondContact CA-O 3.39Å; V169-Q187 HydrophobicContact CG2-CG 4.06Å; V169-Q187 PolarHBondContact N-O 3.35Å; V169-Q187 PolarHBondContact O-N 2.98Å; P183-Q187 PolarHBondContact O-NE2 2.89Å; G185-Q187 PolarHBondContact O-NE2 3.44Å; Q187-L189 HydrophobicContact CG-CD2 3.55Å; Q187-L189 HydrophobicContact CG-CG 4.38Å
188T98.1Very high96.4Very high75 Ų7551.9 Ų51.946%0.4628%0.277SS..EExtended strand (participates in β ladder)trans-96.2125.8165.7-590000108.5I167I167-T188 CarbonylContact O-C 3.56Å; I167-T188 WeakPolarHBondContact O-CA 3.21Å
189L98.4Very high96.4Very high0 Ų048.5 Ų48.50%026%0.257CS..EExtended strand (participates in β ladder)trans-94.9128.9174.5-49.5179.9000109.3I161 G166 I167 V169 V182 Q187 K193 Y197I161-L189 WeakPolarHBondContact CG2-O 3.18Å; G166-L189 CarbonylContact C-O 3.52Å; G166-L189 WeakPolarHBondContact CA-O 3.32Å; I167-L189 HydrophobicContact CD1-CD1 4.4Å; I167-L189 HydrophobicContact CG1-CB 3.94Å; I167-L189 HydrophobicContact CG1-CD1 4.41Å; I167-L189 HydrophobicContact CG1-CG 4.45Å; I167-L189 PolarHBondContact N-O 3.02Å; I167-L189 PolarHBondContact O-N 2.85Å; V169-L189 HydrophobicContact CB-CD1 4.44Å; V169-L189 HydrophobicContact CG1-CD1 3.92Å; V169-L189 HydrophobicContact CG1-CG 4.44Å; V169-L189 HydrophobicContact CG2-CD1 3.64Å; V169-L189 HydrophobicContact CG2-CD2 4.1Å; V169-L189 HydrophobicContact CG2-CG 3.79Å; V182-L189 HydrophobicContact CG1-CD2 3.97Å; Q187-L189 HydrophobicContact CG-CD2 3.55Å; Q187-L189 HydrophobicContact CG-CG 4.38Å; L189-K193 HydrophobicContact CB-CB 4.05Å; L189-K193 HydrophobicContact CD2-CB 3.89Å; L189-K193 HydrophobicContact CG-CB 4.49Å; L189-Y197 HydrophobicContact CD1-CD1 3.99Å; L189-Y197 HydrophobicContact CD1-CD2 4.26Å; L189-Y197 HydrophobicContact CD1-CG 3.69Å
190D98.3Very high96.1Very high65 Ų6545.4 Ų45.435%0.34822%0.224SC..  trans-75.9-177.1161.853.929.3000110.3I161 E192 K193 G194I161-D190 VanDerWaalsContact CG2-C 3.47Å; I161-D190 WeakPolarHBondContact CG2-O 3.46Å; D190-E192 PolarHBondContact O-N 2.78Å; D190-E192 PolarHBondContact OD1-N 3.2Å; D190-K193 WeakPolarHBondContact OD1-CB 3.21Å; D190-K193 WeakPolarHBondContact OD1-CG 3.41Å; D190-K193 PolarHBondContact OD1-N 3.22Å; D190-G194 WeakPolarHBondContact O-CA 3.45Å; D190-G194 PolarHBondContact O-N 2.93Å
191G98Very high95.4Very high0 Ų044.3 Ų44.30%022%0.217CC..Hα-helixtrans-55.2-48.8-179.300000113.2K158 D162 G194 L195K158-G191 WeakPolarHBondContact CG-O 3.39Å; K158-G191 WeakPolarHBondContact O-CA 3.36Å; D162-G191 PolarHBondContact OD1-N 2.68Å; G191-G194 PolarHBondContact O-N 3.17Å; G191-L195 WeakPolarHBondContact O-CB 3.21Å; G191-L195 PolarHBondContact O-N 3.32Å
192E97.4Very high94.2Very high111 Ų11147.7 Ų47.752%0.51923%0.227SC..Hα-helixtrans-64.1-50.1-178.1-64.8-169.8155.700112.1K158 I180 D190 G194 L195 A196K158-E192 HydrophobicContact CD-CG 4.32Å; I180-E192 HydrophobicContact CD1-CB 4.34Å; D190-E192 PolarHBondContact O-N 2.78Å; D190-E192 PolarHBondContact OD1-N 3.2Å; E192-G194 VanDerWaalsContact C-N 3.31Å; E192-G194 PolarHBondContact O-N 3.33Å; E192-L195 PolarHBondContact O-N 3.15Å; E192-A196 WeakPolarHBondContact O-CB 3.25Å; E192-A196 PolarHBondContact O-N 3.37Å
193K97.9Very high92.8Very high71 Ų7152 Ų5231%0.30925%0.247SC..Hα-helixtrans-68.3-33.4177.9-68.1176.1178.4168.60112.2I180 V182 L189 D190 A196 Y197I180-K193 HydrophobicContact CG2-CB 4.42Å; I180-K193 HydrophobicContact CG2-CG 3.75Å; V182-K193 HydrophobicContact CG2-CB 4.3Å; V182-K193 HydrophobicContact CG2-CG 4.45Å; L189-K193 HydrophobicContact CB-CB 4.05Å; L189-K193 HydrophobicContact CD2-CB 3.89Å; L189-K193 HydrophobicContact CG-CB 4.49Å; D190-K193 WeakPolarHBondContact OD1-CB 3.21Å; D190-K193 WeakPolarHBondContact OD1-CG 3.41Å; D190-K193 PolarHBondContact OD1-N 3.22Å; K193-A196 PolarHBondContact O-N 3.06Å; K193-Y197 WeakPolarHBondContact O-CB 3.41Å; K193-Y197 PolarHBondContact O-N 2.73Å
194G97.8Very high91.6Very high0 Ų050.3 Ų50.30%024%0.236CC..Hα-helixtrans-64.9-43.8176.700000112.2D190 G191 E192 Y197 A198D190-G194 WeakPolarHBondContact O-CA 3.45Å; D190-G194 PolarHBondContact O-N 2.93Å; G191-G194 PolarHBondContact O-N 3.17Å; E192-G194 VanDerWaalsContact C-N 3.31Å; E192-G194 PolarHBondContact O-N 3.33Å; G194-Y197 PolarHBondContact O-N 3Å; G194-A198 WeakPolarHBondContact O-CB 3.4Å; G194-A198 PolarHBondContact O-N 3.43Å
195L96Very high90.3Very high18 Ų1848.2 Ų48.29%0.09424%0.237CC..Hα-helixtrans-65.1-46.5172.7178.165.1000111.4M154 L157 K158 G191 E192 Y197 A198 R199M154-L195 HydrophobicContact CB-CD1 4.09Å; M154-L195 HydrophobicContact CB-CD2 4.14Å; M154-L195 HydrophobicContact CG-CD1 4.35Å; M154-L195 HydrophobicContact SD-CD1 3.56Å; M154-L195 VanDerWaalsContact SD-CD1 3.56Å; L157-L195 HydrophobicContact CD2-CD1 3.94Å; K158-L195 HydrophobicContact CD-CB 4.29Å; K158-L195 HydrophobicContact CD-CD2 3.71Å; K158-L195 HydrophobicContact CG-CB 3.78Å; K158-L195 HydrophobicContact CG-CD2 3.74Å; K158-L195 HydrophobicContact CG-CG 4.34Å; G191-L195 WeakPolarHBondContact O-CB 3.21Å; G191-L195 PolarHBondContact O-N 3.32Å; E192-L195 PolarHBondContact O-N 3.15Å; L195-Y197 VanDerWaalsContact C-N 3.3Å; L195-Y197 PolarHBondContact O-N 3.08Å; L195-A198 PolarHBondContact O-N 2.88Å; L195-A198 VanDerWaalsContact O-N 3.13Å; L195-R199 HydrophobicContact CD1-CG 4.03Å; L195-R199 HydrophobicContact CG-CG 4.45Å; L195-R199 WeakPolarHBondContact O-CB 3.45Å; L195-R199 WeakPolarHBondContact O-CG 3.24Å; L195-R199 PolarHBondContact O-N 2.81Å
196A95Very high89Confident5 Ų551.1 Ų51.14%0.04125%0.245CC..Hα-helixtrans-58.5-43.1176.800000111.6F175 L177 I180 V182 E192 K193 A198 R199 M200F175-A196 HydrophobicContact CE2-CB 4.42Å; L177-A196 HydrophobicContact CB-CB 4.48Å; I180-A196 HydrophobicContact CB-CB 4.07Å; I180-A196 HydrophobicContact CG2-CB 3.93Å; V182-A196 HydrophobicContact CG2-CB 4.2Å; E192-A196 WeakPolarHBondContact O-CB 3.25Å; E192-A196 PolarHBondContact O-N 3.37Å; K193-A196 PolarHBondContact O-N 3.06Å; A196-A198 PolarHBondContact O-N 2.77Å; A196-R199 PolarHBondContact O-N 3.08Å; A196-M200 PolarHBondContact O-N 2.84Å
197Y95.9Very high87.9Confident5 Ų542.9 Ų42.92%0.0221%0.214CC..Hα-helixtrans-61.1-39.3173.9-174.7-101.5000113.2V169 N171 F175 V182 L189 K193 G194 L195 R214 E217 V218V169-Y197 HydrophobicContact CB-CE1 4.44Å; V169-Y197 HydrophobicContact CG1-CD1 4.45Å; V169-Y197 HydrophobicContact CG1-CE1 4.02Å; V169-Y197 HydrophobicContact CG2-CE2 4.35Å; N171-Y197 HydrophobicContact CB-CE2 4.08Å; F175-Y197 HydrophobicContact CE1-CD2 4.21Å; F175-Y197 HydrophobicContact CZ-CD2 4.44Å; V182-Y197 HydrophobicContact CG1-CD2 4.44Å; L189-Y197 HydrophobicContact CD1-CD1 3.99Å; L189-Y197 HydrophobicContact CD1-CD2 4.26Å; L189-Y197 HydrophobicContact CD1-CG 3.69Å; K193-Y197 WeakPolarHBondContact O-CB 3.41Å; K193-Y197 PolarHBondContact O-N 2.73Å; G194-Y197 PolarHBondContact O-N 3Å; L195-Y197 VanDerWaalsContact C-N 3.3Å; L195-Y197 PolarHBondContact O-N 3.08Å; Y197-R214 HydrophobicContact CD1-CB 4.14Å; Y197-R214 HydrophobicContact CD1-CG 4.34Å; Y197-R214 HydrophobicContact CE1-CB 3.8Å; Y197-R214 HydrophobicContact CE1-CG 3.71Å; Y197-R214 HydrophobicContact CE2-CG 4.14Å; Y197-R214 WeakPolarHBondContact O-CD 3.4Å; Y197-R214 PolarHBondContact O-NH1 3.28Å; Y197-E217 PolarHBondContact OH-OE2 3.4Å; Y197-V218 HydrophobicContact CD1-CG2 3.77Å; Y197-V218 HydrophobicContact CE1-CG2 4.29Å
198A94Very high86.9Confident5 Ų541.6 Ų41.64%0.04121%0.207CC..Hα-helixtrans-72.6-28.2176.300000113.5L157 G194 L195 A196 R211 Q215 V218L157-A198 HydrophobicContact CD2-CB 4.25Å; G194-A198 WeakPolarHBondContact O-CB 3.4Å; G194-A198 PolarHBondContact O-N 3.43Å; L195-A198 PolarHBondContact O-N 2.88Å; L195-A198 VanDerWaalsContact O-N 3.13Å; A196-A198 PolarHBondContact O-N 2.77Å; A198-R211 WeakPolarHBondContact O-CG 3.3Å; A198-Q215 HydrophobicContact CB-CG 4.2Å; A198-Q215 WeakPolarHBondContact O-CG 3.45Å; A198-V218 HydrophobicContact CB-CG2 4.29Å
199R91Very high86Confident36 Ų3638.2 Ų38.214%0.13619%0.187CC..Hα-helixtrans-94.1-22.5-175.3-74.3-176.465.4-138.1-2.2114.9L177 D178 L195 A196 R201 D345L177-R199 HydrophobicContact CD2-CB 3.73Å; D178-R199 IonicContact OD2-CZ 2.82Å; D178-R199 IonicContact OD2-NH1 3.72Å; D178-R199 PolarHBondContact OD2-NH1 3.42Å; D178-R199 IonicContact OD2-NH2 3.09Å; L195-R199 HydrophobicContact CD1-CG 4.03Å; L195-R199 HydrophobicContact CG-CG 4.45Å; L195-R199 WeakPolarHBondContact O-CB 3.45Å; L195-R199 WeakPolarHBondContact O-CG 3.24Å; L195-R199 PolarHBondContact O-N 2.81Å; A196-R199 PolarHBondContact O-N 3.08Å; R199-R201 PolarHBondContact O-N 3.21Å; R199-D345 IonicContact CZ-OD1 2.99Å; R199-D345 IonicContact NH2-OD1 2.83Å; R199-D345 PolarHBondContact NH2-OD1 3.03Å
200M86.9Confident85.3Confident3 Ų338.2 Ų38.22%0.01519%0.187CC..  trans-51.3137-177.6-173.2-80-81.400111.4I173 F175 A196 E203 D204 R214I173-M200 HydrophobicContact CB-CE 4.35Å; I173-M200 HydrophobicContact CD1-CE 3.79Å; I173-M200 HydrophobicContact CG2-CE 4.39Å; F175-M200 HydrophobicContact CB-CG 4.39Å; F175-M200 HydrophobicContact CD1-CE 4.12Å; F175-M200 HydrophobicContact CD1-CG 4.07Å; F175-M200 HydrophobicContact CD2-CB 4.06Å; F175-M200 HydrophobicContact CD2-CG 3.6Å; F175-M200 HydrophobicContact CE1-CB 4.3Å; F175-M200 HydrophobicContact CE1-CE 4.34Å; F175-M200 HydrophobicContact CE1-CG 4.22Å; F175-M200 HydrophobicContact CE2-CB 3.7Å; F175-M200 HydrophobicContact CE2-CG 3.8Å; F175-M200 HydrophobicContact CG-CG 3.78Å; F175-M200 HydrophobicContact CZ-CB 3.85Å; F175-M200 HydrophobicContact CZ-CG 4.12Å; A196-M200 PolarHBondContact O-N 2.84Å; M200-E203 HydrophobicContact CG-CB 4.47Å; M200-E203 HydrophobicContact SD-CB 3.92Å; M200-D204 HydrophobicContact CE-CB 3.92Å; M200-D204 HydrophobicContact SD-CB 3.81Å; M200-D204 PolarHBondContact SD-N 3.44Å; M200-R214 PolarHBondContact O-NH1 2.69Å; M200-R214 PolarHBondContact O-NH2 3.18Å
201R80.4Confident84.9Confident20 Ų2035.6 Ų35.68%0.07517%0.172CC..  trans-134.2-62.6-178.1-74.8176.471.5160.310.2112.5R107 R199 E203 D204 D208 R211 Y344R107-R201 VanDerWaalsContact NH2-NH1 3.12Å; R199-R201 PolarHBondContact O-N 3.21Å; R201-E203 VanDerWaalsContact C-N 3.26Å; R201-E203 PolarHBondContact O-N 3.32Å; R201-D204 VanDerWaalsContact O-CB 3.32Å; R201-D204 WeakPolarHBondContact O-CB 3.45Å; R201-D204 PolarHBondContact O-N 3.13Å; R201-D208 IonicContact NH2-OD2 3.69Å; R201-R211 VanDerWaalsContact CD-NH1 3.28Å; R201-R211 HydrophobicContact CG-CB 4.43Å; R201-R211 HydrophobicContact CG-CG 4.35Å; R201-Y344 PolarHBondContact NH1-O 3.13Å
202Y71.5Confident84.5Confident157 Ų15735.9 Ų35.962%0.61617%0.173SC*.THydrogen-bonded Turntrans-66-25.3-165.8-60.9-73.1000114.5D204 G343Y202-D204 VanDerWaalsContact C-N 3.34Å; Y202-G343 WeakPolarHBondContact OH-CA 3.34Å
203E67.1Low84.1Confident90 Ų9034.5 Ų34.542%0.42116%0.163SC..THydrogen-bonded Turntrans-91-2177.7-62-179.6-110.400112I173 F175 M200 R201 P205I173-E203 HydrophobicContact CG2-CB 4.28Å; F175-E203 WeakPolarHBondContact CA-OE2 3.44Å; F175-E203 HydrophobicContact CB-CB 4.27Å; F175-E203 HydrophobicContact CB-CG 4.43Å; F175-E203 WeakPolarHBondContact CB-OE1 3.14Å; F175-E203 VanDerWaalsContact CB-OE2 3.22Å; F175-E203 WeakPolarHBondContact CB-OE2 3.15Å; M200-E203 HydrophobicContact CG-CB 4.47Å; M200-E203 HydrophobicContact SD-CB 3.92Å; R201-E203 VanDerWaalsContact C-N 3.26Å; R201-E203 PolarHBondContact O-N 3.32Å; E203-P205 WeakPolarHBondContact O-CD 3.15Å
204D72.2Confident83.9Confident11 Ų1131.3 Ų31.36%0.05915%0.149CC..  trans-88116.5176.6-152.8-38.2000110.8I173 M200 R201 Y202 E206 G207 G210 R214I173-D204 HydrophobicContact CD1-CB 4.34Å; M200-D204 HydrophobicContact CE-CB 3.92Å; M200-D204 HydrophobicContact SD-CB 3.81Å; M200-D204 PolarHBondContact SD-N 3.44Å; R201-D204 VanDerWaalsContact O-CB 3.32Å; R201-D204 WeakPolarHBondContact O-CB 3.45Å; R201-D204 PolarHBondContact O-N 3.13Å; Y202-D204 VanDerWaalsContact C-N 3.34Å; D204-E206 PolarHBondContact O-N 3.17Å; D204-E206 VanDerWaalsContact O-N 3.13Å; D204-E206 PolarHBondContact OD1-N 2.76Å; D204-G207 PolarHBondContact O-N 2.82Å; D204-G210 VanDerWaalsContact OD2-CA 3.27Å; D204-G210 WeakPolarHBondContact OD2-CA 3.31Å; D204-R214 IonicContact OD2-CZ 3.73Å; D204-R214 IonicContact OD2-NE 3.91Å; D204-R214 PolarHBondContact OD2-NE 2.65Å; D204-R214 VanDerWaalsContact OD2-NE 3.09Å; D204-R214 IonicContact OD2-NH2 3.9Å; D204-R214 PolarHBondContact OD2-NH2 3.1Å
205P67.9Low83.8Confident103 Ų10332.6 Ų32.667%0.66916%0.155SC*.THydrogen-bonded Turntrans-59-22.7173.8-22.434000113.2E203E203-P205 WeakPolarHBondContact O-CD 3.15Å
206E68.7Low83.7Confident80 Ų8032.8 Ų32.837%0.37416%0.155SC..THydrogen-bonded Turntrans-91.94.9177.6-59.2178.8150.200112.9D204 D208 V209 G210 R213D204-E206 PolarHBondContact O-N 3.17Å; D204-E206 VanDerWaalsContact O-N 3.13Å; D204-E206 PolarHBondContact OD1-N 2.76Å; E206-D208 PolarHBondContact O-N 2.93Å; E206-V209 PolarHBondContact O-N 2.77Å; E206-G210 PolarHBondContact O-N 3.23Å; E206-R213 IonicContact OE2-CZ 2.78Å; E206-R213 IonicContact OE2-NE 3.27Å; E206-R213 PolarHBondContact OE2-NE 2.8Å; E206-R213 IonicContact OE2-NH2 3.97Å; E206-R213 PolarHBondContact OE2-NH2 3.3Å
207G75.3Confident83.7Confident13 Ų1334.6 Ų34.613%0.13416%0.162CC..Hα-helixtrans55.3-127.8176.900000114.3D204 V209 G210 R211D204-G207 PolarHBondContact O-N 2.82Å; G207-V209 VanDerWaalsContact C-N 3.31Å; G207-V209 PolarHBondContact O-N 3.47Å; G207-G210 PolarHBondContact O-N 3.09Å; G207-R211 PolarHBondContact O-N 2.99Å
208D77.3Confident83.8Confident5 Ų534.5 Ų34.53%0.02716%0.162CC..Hα-helixtrans-64.3-36-179.4-152.9-40.8000112.2R201 E206 G210 R211 Q212R201-D208 IonicContact NH2-OD2 3.69Å; E206-D208 PolarHBondContact O-N 2.93Å; D208-G210 VanDerWaalsContact C-N 3.35Å; D208-G210 PolarHBondContact O-N 3.32Å; D208-R211 CarbonylContact O-C 3.48Å; D208-R211 WeakPolarHBondContact O-CA 3.43Å; D208-R211 VanDerWaalsContact O-CB 3.3Å; D208-R211 WeakPolarHBondContact O-CB 3.34Å; D208-R211 PolarHBondContact O-N 2.85Å; D208-R211 IonicContact OD1-CZ 3.73Å; D208-R211 IonicContact OD1-NE 3Å; D208-R211 IonicContact OD1-NH1 3.48Å; D208-R211 PolarHBondContact OD1-NH1 3.43Å; D208-R211 VanDerWaalsContact OD1-NH1 3.09Å; D208-R211 IonicContact OD1-NH2 3.23Å; D208-R211 PolarHBondContact OD1-NH2 3.35Å; D208-R211 IonicContact OD2-CZ 2.73Å; D208-R211 IonicContact OD2-NH1 3.25Å; D208-R211 PolarHBondContact OD2-NH1 3.36Å; D208-R211 IonicContact OD2-NH2 3.37Å; D208-R211 PolarHBondContact OD2-NH2 2.92Å; D208-Q212 PolarHBondContact O-N 3.21Å; D208-Q212 PolarHBondContact OD1-NE2 3.12Å
209V78.2Confident83.9Confident4 Ų436 Ų362%0.02417%0.171CC..Hα-helixtrans-65.5-41.5-179.81710000111.7E206 G207 R211 Q212 R213 Q273 V275 E335E206-V209 PolarHBondContact O-N 2.77Å; G207-V209 VanDerWaalsContact C-N 3.31Å; G207-V209 PolarHBondContact O-N 3.47Å; V209-R211 VanDerWaalsContact C-N 3.29Å; V209-R211 PolarHBondContact O-N 3.46Å; V209-Q212 PolarHBondContact O-N 3.44Å; V209-R213 WeakPolarHBondContact O-CB 3.36Å; V209-R213 PolarHBondContact O-N 2.92Å; V209-Q273 VanDerWaalsContact CG2-NE2 3.31Å; V209-V275 HydrophobicContact CG2-CG2 4.21Å; V209-E335 WeakPolarHBondContact CB-O 3.39Å; V209-E335 HydrophobicContact CG1-CB 4.14Å; V209-E335 WeakPolarHBondContact CG2-O 3.44Å
210G85.1Confident84.2Confident0 Ų034.5 Ų34.50%017%0.166CC..Hα-helixtrans-58.7-40.7170.600000112.4D204 E206 G207 D208 R213 R214D204-G210 VanDerWaalsContact OD2-CA 3.27Å; D204-G210 WeakPolarHBondContact OD2-CA 3.31Å; E206-G210 PolarHBondContact O-N 3.23Å; G207-G210 PolarHBondContact O-N 3.09Å; D208-G210 VanDerWaalsContact C-N 3.35Å; D208-G210 PolarHBondContact O-N 3.32Å; G210-R213 PolarHBondContact O-N 3.4Å; G210-R214 PolarHBondContact O-N 2.97Å; G210-R214 PolarHBondContact O-NE 2.99Å
211R89.2Confident84.6Confident11 Ų1136.9 Ų36.94%0.04218%0.176CC..Hα-helixtrans-60.5-51.9174.3-172-177.273.5-114.39.6111.9A198 R201 G207 D208 V209 R213 R214 Q215A198-R211 WeakPolarHBondContact O-CG 3.3Å; R201-R211 VanDerWaalsContact CD-NH1 3.28Å; R201-R211 HydrophobicContact CG-CB 4.43Å; R201-R211 HydrophobicContact CG-CG 4.35Å; G207-R211 PolarHBondContact O-N 2.99Å; D208-R211 CarbonylContact O-C 3.48Å; D208-R211 WeakPolarHBondContact O-CA 3.43Å; D208-R211 VanDerWaalsContact O-CB 3.3Å; D208-R211 WeakPolarHBondContact O-CB 3.34Å; D208-R211 PolarHBondContact O-N 2.85Å; D208-R211 IonicContact OD1-CZ 3.73Å; D208-R211 IonicContact OD1-NE 3Å; D208-R211 IonicContact OD1-NH1 3.48Å; D208-R211 PolarHBondContact OD1-NH1 3.43Å; D208-R211 VanDerWaalsContact OD1-NH1 3.09Å; D208-R211 IonicContact OD1-NH2 3.23Å; D208-R211 PolarHBondContact OD1-NH2 3.35Å; D208-R211 IonicContact OD2-CZ 2.73Å; D208-R211 IonicContact OD2-NH1 3.25Å; D208-R211 PolarHBondContact OD2-NH1 3.36Å; D208-R211 IonicContact OD2-NH2 3.37Å; D208-R211 PolarHBondContact OD2-NH2 2.92Å; V209-R211 VanDerWaalsContact C-N 3.29Å; V209-R211 PolarHBondContact O-N 3.46Å; R211-R213 VanDerWaalsContact C-N 3.28Å; R211-R213 PolarHBondContact O-N 3.19Å; R211-R214 VanDerWaalsContact CA-NH2 3.29Å; R211-R214 PolarHBondContact O-N 3.04Å; R211-R214 VanDerWaalsContact O-N 3.12Å; R211-Q215 HydrophobicContact CG-CG 4.44Å; R211-Q215 WeakPolarHBondContact O-CG 3.5Å; R211-Q215 PolarHBondContact O-N 2.83Å
212Q89.2Confident85.4Confident5 Ų536.6 Ų36.62%0.02318%0.176CC..Hα-helixtrans-62.2-37.5-179.8-70.3176.723.300112D106 D208 V209 Q215 R216 Q273D106-Q212 PolarHBondContact OD2-NE2 3.42Å; D208-Q212 PolarHBondContact O-N 3.21Å; D208-Q212 PolarHBondContact OD1-NE2 3.12Å; V209-Q212 PolarHBondContact O-N 3.44Å; Q212-Q215 PolarHBondContact O-N 2.9Å; Q212-R216 VanDerWaalsContact O-CB 3.31Å; Q212-R216 WeakPolarHBondContact O-CB 3.41Å; Q212-R216 PolarHBondContact O-N 3.03Å; Q212-Q273 VanDerWaalsContact OE1-CG 3.31Å
213R90.2Very high86.4Confident83 Ų8331.2 Ų31.231%0.31316%0.158SC..Hα-helixtrans-60-45.1173-176.7169.461.178.61.4111.7E206 V209 G210 R211 R216 E217E206-R213 IonicContact OE2-CZ 2.78Å; E206-R213 IonicContact OE2-NE 3.27Å; E206-R213 PolarHBondContact OE2-NE 2.8Å; E206-R213 IonicContact OE2-NH2 3.97Å; E206-R213 PolarHBondContact OE2-NH2 3.3Å; V209-R213 WeakPolarHBondContact O-CB 3.36Å; V209-R213 PolarHBondContact O-N 2.92Å; G210-R213 PolarHBondContact O-N 3.4Å; R211-R213 VanDerWaalsContact C-N 3.28Å; R211-R213 PolarHBondContact O-N 3.19Å; R213-R216 PolarHBondContact O-N 2.92Å; R213-E217 WeakPolarHBondContact O-CB 3.44Å; R213-E217 PolarHBondContact O-N 3.03Å
214R93.7Very high87.6Confident4 Ų432.9 Ų32.92%0.01516%0.16CC..Hα-helixtrans-66.9-42.3176.1-74.8-178.9-83.698.4-0.5112.6Y197 M200 D204 G210 R211 R216 E217 V218Y197-R214 HydrophobicContact CD1-CB 4.14Å; Y197-R214 HydrophobicContact CD1-CG 4.34Å; Y197-R214 HydrophobicContact CE1-CB 3.8Å; Y197-R214 HydrophobicContact CE1-CG 3.71Å; Y197-R214 HydrophobicContact CE2-CG 4.14Å; Y197-R214 WeakPolarHBondContact O-CD 3.4Å; Y197-R214 PolarHBondContact O-NH1 3.28Å; M200-R214 PolarHBondContact O-NH1 2.69Å; M200-R214 PolarHBondContact O-NH2 3.18Å; D204-R214 IonicContact OD2-CZ 3.73Å; D204-R214 IonicContact OD2-NE 3.91Å; D204-R214 PolarHBondContact OD2-NE 2.65Å; D204-R214 VanDerWaalsContact OD2-NE 3.09Å; D204-R214 IonicContact OD2-NH2 3.9Å; D204-R214 PolarHBondContact OD2-NH2 3.1Å; G210-R214 PolarHBondContact O-N 2.97Å; G210-R214 PolarHBondContact O-NE 2.99Å; R211-R214 VanDerWaalsContact CA-NH2 3.29Å; R211-R214 PolarHBondContact O-N 3.04Å; R211-R214 VanDerWaalsContact O-N 3.12Å; R214-R216 VanDerWaalsContact C-N 3.33Å; R214-R216 PolarHBondContact O-N 3.04Å; R214-E217 WeakPolarHBondContact O-CB 3.27Å; R214-E217 PolarHBondContact O-N 3.13Å; R214-V218 WeakPolarHBondContact O-CG2 3.43Å; R214-V218 PolarHBondContact O-N 2.98Å
215Q94.5Very high88.7Confident26 Ų2635.4 Ų35.412%0.12117%0.17CC..Hα-helixtrans-57.9-47174.7-70177.2-8.300111.3S87 M89 A198 R211 Q212 E217 V218 V219S87-Q215 VanDerWaalsContact CB-OE1 3.31Å; S87-Q215 PolarHBondContact OG-OE1 3.32Å; M89-Q215 HydrophobicContact CE-CB 3.64Å; A198-Q215 HydrophobicContact CB-CG 4.2Å; A198-Q215 WeakPolarHBondContact O-CG 3.45Å; R211-Q215 HydrophobicContact CG-CG 4.44Å; R211-Q215 WeakPolarHBondContact O-CG 3.5Å; R211-Q215 PolarHBondContact O-N 2.83Å; Q212-Q215 PolarHBondContact O-N 2.9Å; Q215-E217 VanDerWaalsContact C-N 3.34Å; Q215-E217 PolarHBondContact O-N 2.83Å; Q215-V218 WeakPolarHBondContact O-CB 3.24Å; Q215-V218 PolarHBondContact O-N 3.33Å; Q215-V219 WeakPolarHBondContact O-CG2 3.24Å; Q215-V219 PolarHBondContact O-N 2.89Å
216R94.3Very high89.8Confident23 Ų2331.8 Ų31.89%0.08715%0.149CC..Hα-helixtrans-66.3-35.1177.7-173.717645.4170.2-6.7112.3M89 I102 Q212 R213 R214 T220 Q271 K272M89-R216 HydrophobicContact CE-CB 4.03Å; M89-R216 HydrophobicContact SD-CB 4.11Å; M89-R216 HydrophobicContact SD-CG 4.29Å; I102-R216 HydrophobicContact CG2-CG 4.02Å; Q212-R216 VanDerWaalsContact O-CB 3.31Å; Q212-R216 WeakPolarHBondContact O-CB 3.41Å; Q212-R216 PolarHBondContact O-N 3.03Å; R213-R216 PolarHBondContact O-N 2.92Å; R214-R216 VanDerWaalsContact C-N 3.33Å; R214-R216 PolarHBondContact O-N 3.04Å; R216-T220 WeakPolarHBondContact O-CB 3.42Å; R216-T220 PolarHBondContact O-N 3.05Å; R216-T220 PolarHBondContact O-OG1 2.91Å; R216-Q271 HydrophobicContact CG-CG 4.25Å; R216-K272 PolarHBondContact NH1-O 3.19Å
217E95.9Very high90.7Very high43 Ų4330 Ų3020%0.20114%0.142CC..Hα-helixtrans-61.3-50.6170.3-176.3175.9-162.200110.6Y197 R213 R214 Q215 V219 T220 K221Y197-E217 PolarHBondContact OH-OE2 3.4Å; R213-E217 WeakPolarHBondContact O-CB 3.44Å; R213-E217 PolarHBondContact O-N 3.03Å; R214-E217 WeakPolarHBondContact O-CB 3.27Å; R214-E217 PolarHBondContact O-N 3.13Å; Q215-E217 VanDerWaalsContact C-N 3.34Å; Q215-E217 PolarHBondContact O-N 2.83Å; E217-V219 PolarHBondContact O-N 3.46Å; E217-T220 PolarHBondContact O-N 3.05Å; E217-T220 VanDerWaalsContact O-N 3.13Å; E217-K221 HydrophobicContact CG-CG 4.1Å; E217-K221 WeakPolarHBondContact O-CG 3.44Å; E217-K221 PolarHBondContact O-N 2.85Å
218V97.6Very high91.4Very high2 Ų233.1 Ų33.11%0.01216%0.161CC..Hα-helixtrans-54-51.4177.5168.10000110.9L157 I161 I167 Y197 A198 R214 Q215 T220 K221 I222L157-V218 HydrophobicContact CD1-CG1 4.03Å; I161-V218 HydrophobicContact CD1-CG1 4.02Å; I167-V218 HydrophobicContact CD1-CB 4.14Å; I167-V218 HydrophobicContact CD1-CG1 3.95Å; I167-V218 HydrophobicContact CD1-CG2 3.77Å; Y197-V218 HydrophobicContact CD1-CG2 3.77Å; Y197-V218 HydrophobicContact CE1-CG2 4.29Å; A198-V218 HydrophobicContact CB-CG2 4.29Å; R214-V218 WeakPolarHBondContact O-CG2 3.43Å; R214-V218 PolarHBondContact O-N 2.98Å; Q215-V218 WeakPolarHBondContact O-CB 3.24Å; Q215-V218 PolarHBondContact O-N 3.33Å; V218-T220 VanDerWaalsContact C-N 3.34Å; V218-T220 PolarHBondContact O-N 3.37Å; V218-K221 PolarHBondContact O-N 2.84Å; V218-K221 VanDerWaalsContact O-N 3.17Å; V218-I222 HydrophobicContact CG1-CD1 3.72Å; V218-I222 HydrophobicContact CG1-CG1 4.42Å; V218-I222 VanDerWaalsContact O-CG1 3.31Å; V218-I222 WeakPolarHBondContact O-CG1 3.24Å; V218-I222 PolarHBondContact O-N 3.42Å
219V96.6Very high91.9Very high38 Ų3834.4 Ų34.423%0.2317%0.167CC..Hα-helixtrans-56.3-47.8176.6169.50000111.3L69 M89 Q215 E217 K221 I222 L223L69-V219 HydrophobicContact CD1-CG1 3.63Å; M89-V219 HydrophobicContact CE-CG2 4.05Å; M89-V219 HydrophobicContact SD-CB 4.34Å; M89-V219 HydrophobicContact SD-CG2 4.03Å; Q215-V219 WeakPolarHBondContact O-CG2 3.24Å; Q215-V219 PolarHBondContact O-N 2.89Å; E217-V219 PolarHBondContact O-N 3.46Å; V219-K221 VanDerWaalsContact C-N 3.31Å; V219-K221 PolarHBondContact O-N 2.82Å; V219-I222 PolarHBondContact O-N 3.27Å; V219-L223 WeakPolarHBondContact O-CB 3.27Å; V219-L223 PolarHBondContact O-N 3.3Å
220T95.8Very high92Very high4 Ų440.5 Ų40.53%0.02520%0.2CC..Hα-helixtrans-63.5-36.6-179.7-58.30000112R216 E217 V218 R224 I269R216-T220 WeakPolarHBondContact O-CB 3.42Å; R216-T220 PolarHBondContact O-N 3.05Å; R216-T220 PolarHBondContact O-OG1 2.91Å; E217-T220 PolarHBondContact O-N 3.05Å; E217-T220 VanDerWaalsContact O-N 3.13Å; V218-T220 VanDerWaalsContact C-N 3.34Å; V218-T220 PolarHBondContact O-N 3.37Å; T220-R224 WeakPolarHBondContact O-CG 3.39Å; T220-R224 PolarHBondContact O-N 2.9Å; T220-R224 VanDerWaalsContact O-N 3.09Å; T220-I269 HydrophobicContact CG2-CD1 3.95Å
221K96.9Very high91.8Very high52 Ų5242.5 Ų42.523%0.22622%0.221CC..Hα-helixtrans-72.5-42.2178.6-64.2-69.4177.3146.40111.8I167 E168 E217 V218 V219 L223 R224 K225I167-K221 HydrophobicContact CB-CB 3.81Å; I167-K221 HydrophobicContact CG2-CB 3.77Å; E168-K221 WeakPolarHBondContact O-CD 3.44Å; E168-K221 VanDerWaalsContact O-CE 3.31Å; E168-K221 WeakPolarHBondContact O-CE 3.32Å; E168-K221 PolarHBondContact O-NZ 3.09Å; E217-K221 HydrophobicContact CG-CG 4.1Å; E217-K221 WeakPolarHBondContact O-CG 3.44Å; E217-K221 PolarHBondContact O-N 2.85Å; V218-K221 PolarHBondContact O-N 2.84Å; V218-K221 VanDerWaalsContact O-N 3.17Å; V219-K221 VanDerWaalsContact C-N 3.31Å; V219-K221 PolarHBondContact O-N 2.82Å; K221-L223 VanDerWaalsContact C-N 3.35Å; K221-R224 PolarHBondContact O-N 3.32Å; K221-K225 WeakPolarHBondContact O-CG 3.36Å; K221-K225 PolarHBondContact O-N 3.18Å
222I96.7Very high91.5Very high14 Ų1444.6 Ų44.67%0.07223%0.234CC..Hα-helixtrans-58.3-49.6172.9-68.5168000109.6L157 L160 I161 V164 I167 V218 V219 R224 K225 A226L157-I222 HydrophobicContact CD1-CD1 3.76Å; L160-I222 HydrophobicContact CD1-CG2 4.25Å; L160-I222 HydrophobicContact CD2-CD1 4.25Å; L160-I222 HydrophobicContact CD2-CG2 3.82Å; L160-I222 HydrophobicContact CG-CD1 4.38Å; L160-I222 HydrophobicContact CG-CG2 3.82Å; I161-I222 HydrophobicContact CD1-CD1 4.37Å; I161-I222 HydrophobicContact CG1-CD1 3.7Å; I161-I222 HydrophobicContact CG1-CG1 4.02Å; V164-I222 HydrophobicContact CG1-CG2 4.45Å; I167-I222 HydrophobicContact CG2-CG1 3.91Å; V218-I222 HydrophobicContact CG1-CD1 3.72Å; V218-I222 HydrophobicContact CG1-CG1 4.42Å; V218-I222 VanDerWaalsContact O-CG1 3.31Å; V218-I222 WeakPolarHBondContact O-CG1 3.24Å; V218-I222 PolarHBondContact O-N 3.42Å; V219-I222 PolarHBondContact O-N 3.27Å; I222-R224 PolarHBondContact O-N 3.06Å; I222-K225 PolarHBondContact O-N 3.29Å; I222-K225 VanDerWaalsContact O-N 3.13Å; I222-A226 WeakPolarHBondContact O-CB 3.23Å; I222-A226 PolarHBondContact O-N 3.48Å
223L93Very high91.3Very high45 Ų4547.1 Ų47.124%0.23625%0.253CS..Hα-helixtrans-55.9-48.8178.9179.461.6000111.5V219 K221 K225 A226 M227 F266 I269V219-L223 WeakPolarHBondContact O-CB 3.27Å; V219-L223 PolarHBondContact O-N 3.3Å; K221-L223 VanDerWaalsContact C-N 3.35Å; L223-K225 PolarHBondContact O-N 3.31Å; L223-A226 PolarHBondContact O-N 2.77Å; L223-M227 HydrophobicContact CD1-CG 4.41Å; L223-M227 HydrophobicContact CD1-SD 4.3Å; L223-M227 HydrophobicContact CG-CE 4.01Å; L223-M227 HydrophobicContact CG-SD 4.36Å; L223-M227 VanDerWaalsContact O-CG 3.29Å; L223-M227 WeakPolarHBondContact O-CG 3.25Å; L223-M227 PolarHBondContact O-N 2.82Å; L223-F266 HydrophobicContact CD1-CD1 4.37Å; L223-F266 HydrophobicContact CD1-CE1 4.1Å; L223-F266 HydrophobicContact CD1-CZ 4.27Å; L223-F266 HydrophobicContact CD2-CD1 3.62Å; L223-F266 HydrophobicContact CD2-CE1 3.78Å; L223-F266 HydrophobicContact CD2-CG 4.43Å; L223-F266 HydrophobicContact CG-CD1 4.28Å; L223-F266 HydrophobicContact CG-CE1 4.42Å; L223-I269 HydrophobicContact CD2-CD1 3.98Å
224R92.5Very high91.2Very high125 Ų12546.2 Ų46.247%0.47225%0.254SS..Hα-helixtrans-61.2-40.9176.6-74.9177.5176.5167.80.7113.1T220 K221 I222 M227 S228T220-R224 WeakPolarHBondContact O-CG 3.39Å; T220-R224 PolarHBondContact O-N 2.9Å; T220-R224 VanDerWaalsContact O-N 3.09Å; K221-R224 PolarHBondContact O-N 3.32Å; I222-R224 PolarHBondContact O-N 3.06Å; R224-M227 HydrophobicContact CG-CE 4.16Å; R224-S228 WeakPolarHBondContact O-CB 3.18Å; R224-S228 PolarHBondContact O-N 2.92Å; R224-S228 VanDerWaalsContact O-N 3.15Å
225K93.8Very high91Very high63 Ų6348.3 Ų48.327%0.27426%0.262SS..Hα-helixtrans-65.9-48176.6-75.2-74.8-173.4171.80111.1V164 G166 K221 I222 L223 M227 S228 I229V164-K225 HydrophobicContact CB-CB 3.88Å; V164-K225 HydrophobicContact CG2-CB 3.96Å; V164-K225 HydrophobicContact CG2-CG 4.48Å; G166-K225 WeakPolarHBondContact O-CE 3.48Å; K221-K225 WeakPolarHBondContact O-CG 3.36Å; K221-K225 PolarHBondContact O-N 3.18Å; I222-K225 PolarHBondContact O-N 3.29Å; I222-K225 VanDerWaalsContact O-N 3.13Å; L223-K225 PolarHBondContact O-N 3.31Å; K225-M227 VanDerWaalsContact C-N 3.33Å; K225-M227 PolarHBondContact O-N 2.9Å; K225-S228 PolarHBondContact O-N 3.28Å; K225-S228 PolarHBondContact O-OG 3.38Å; K225-I229 WeakPolarHBondContact O-CG1 3.48Å; K225-I229 PolarHBondContact O-N 2.91Å
226A91.9Very high90.7Very high27 Ų2750.1 Ų50.122%0.22327%0.268CS..Hα-helixtrans-56.6-44.7177.400000112V164 I222 L223 S228 I229 Y235V164-A226 HydrophobicContact CG1-CB 4.47Å; I222-A226 WeakPolarHBondContact O-CB 3.23Å; I222-A226 PolarHBondContact O-N 3.48Å; L223-A226 PolarHBondContact O-N 2.77Å; A226-S228 VanDerWaalsContact C-N 3.3Å; A226-S228 PolarHBondContact O-N 2.93Å; A226-I229 PolarHBondContact O-N 2.94Å; A226-Y235 WeakPolarHBondContact O-CE1 3.29Å
227M87.2Confident90.5Very high44 Ų4455.4 Ų55.422%0.21729%0.291CS..Hα-helixtrans-68.1-26.2176.9-67.6-177.7-57.300114L223 R224 K225 I229 L263 F266L223-M227 HydrophobicContact CD1-CG 4.41Å; L223-M227 HydrophobicContact CD1-SD 4.3Å; L223-M227 HydrophobicContact CG-CE 4.01Å; L223-M227 HydrophobicContact CG-SD 4.36Å; L223-M227 VanDerWaalsContact O-CG 3.29Å; L223-M227 WeakPolarHBondContact O-CG 3.25Å; L223-M227 PolarHBondContact O-N 2.82Å; R224-M227 HydrophobicContact CG-CE 4.16Å; K225-M227 VanDerWaalsContact C-N 3.33Å; K225-M227 PolarHBondContact O-N 2.9Å; M227-I229 VanDerWaalsContact C-N 3.31Å; M227-L263 HydrophobicContact CB-CD2 4.02Å; M227-L263 HydrophobicContact CG-CD2 3.94Å; M227-L263 HydrophobicContact SD-CD2 4.19Å; M227-F266 HydrophobicContact CE-CB 3.53Å; M227-F266 HydrophobicContact CE-CD2 4.39Å; M227-F266 HydrophobicContact CE-CG 4.04Å; M227-F266 HydrophobicContact SD-CB 3.39Å; M227-F266 WeakPolarHBondContact SD-CB 3.21Å; M227-F266 HydrophobicContact SD-CD1 4.35Å; M227-F266 HydrophobicContact SD-CD2 3.15Å; M227-F266 WeakPolarHBondContact SD-CD2 3.41Å; M227-F266 HydrophobicContact SD-CE2 3.94Å; M227-F266 HydrophobicContact SD-CG 3.38Å; M227-F266 WeakPolarHBondContact SD-CG 3.35Å
228S89.4Confident90.4Very high77 Ų7754.1 Ų54.154%0.53829%0.286SS..Hα-helixtrans-79.7-14.7177.773.20000113.7R224 K225 A226R224-S228 WeakPolarHBondContact O-CB 3.18Å; R224-S228 PolarHBondContact O-N 2.92Å; R224-S228 VanDerWaalsContact O-N 3.15Å; K225-S228 PolarHBondContact O-N 3.28Å; K225-S228 PolarHBondContact O-OG 3.38Å; A226-S228 VanDerWaalsContact C-N 3.3Å; A226-S228 PolarHBondContact O-N 2.93Å
229I87.6Confident90.1Very high32 Ų3254.8 Ų54.816%0.16429%0.289CS..  trans-81.8121.7-178.7-72.1167.7000108.9V164 K225 A226 M227 N234 Y235 I238V164-I229 HydrophobicContact CB-CD1 4.24Å; V164-I229 HydrophobicContact CG1-CD1 4.43Å; K225-I229 WeakPolarHBondContact O-CG1 3.48Å; K225-I229 PolarHBondContact O-N 2.91Å; A226-I229 PolarHBondContact O-N 2.94Å; M227-I229 VanDerWaalsContact C-N 3.31Å; I229-N234 HydrophobicContact CG2-CB 3.23Å; I229-Y235 HydrophobicContact CG2-CE1 4.5Å; I229-Y235 PolarHBondContact O-OH 3.44Å; I229-I238 HydrophobicContact CD1-CD1 3.81Å
230N80.1Confident89.9Confident133 Ų13358.6 Ų58.671%0.71130%0.303SS*.  trans-93.3141.3177.7-69.8-47000111.8N234N230-N234 PolarHBondContact O-ND2 3.29Å
231G81.5Confident89.8Confident42 Ų4260.1 Ų60.143%0.43332%0.316SS..SBendtrans96.8136164.800000115.2S233 N234G231-S233 PolarHBondContact O-N 3.47Å; G231-S233 VanDerWaalsContact O-N 3.09Å; G231-N234 PolarHBondContact O-N 2.74Å
232V82.3Confident89.7Confident54 Ų5457.7 Ų57.733%0.32731%0.305SS..Hα-helixtrans-52.9-35.2-176.7178.20000113.4V30 N234 Y235 R236 W252V30-V232 HydrophobicContact CG1-CB 4.26Å; V30-V232 HydrophobicContact CG1-CG1 3.48Å; V30-V232 VanDerWaalsContact CG1-CG1 3.48Å; V232-N234 VanDerWaalsContact C-N 3.3Å; V232-N234 PolarHBondContact O-N 3.19Å; V232-Y235 PolarHBondContact O-N 2.92Å; V232-R236 WeakPolarHBondContact O-CG 3.24Å; V232-R236 PolarHBondContact O-N 3.13Å; V232-W252 HydrophobicContact CG1-CH2 3.88Å; V232-W252 HydrophobicContact CG1-CZ2 3.71Å
233S85Confident89.4Confident58 Ų5859 Ų5941%0.40631%0.311SS..Hα-helixtrans-62.2-34.4178.5-174.50000113.1G231 K237G231-S233 PolarHBondContact O-N 3.47Å; G231-S233 VanDerWaalsContact O-N 3.09Å; S233-K237 WeakPolarHBondContact O-CG 3.37Å; S233-K237 PolarHBondContact O-N 2.59Å
234N88.8Confident89.3Confident64 Ų6464.5 Ų64.534%0.34233%0.333SS..Hα-helixtrans-77.8-40.1179.6-66.9-43.7000111.8I229 N230 G231 V232 R236 K237 I238I229-N234 HydrophobicContact CG2-CB 3.23Å; N230-N234 PolarHBondContact O-ND2 3.29Å; G231-N234 PolarHBondContact O-N 2.74Å; V232-N234 VanDerWaalsContact C-N 3.3Å; V232-N234 PolarHBondContact O-N 3.19Å; N234-R236 PolarHBondContact O-N 3.23Å; N234-K237 WeakPolarHBondContact O-CB 3.31Å; N234-K237 PolarHBondContact O-N 2.85Å; N234-K237 VanDerWaalsContact O-N 3.07Å; N234-I238 WeakPolarHBondContact O-CG1 3.3Å; N234-I238 PolarHBondContact O-N 2.88Å
235Y89.5Confident89.3Confident49 Ų4958.9 Ų58.919%0.19231%0.313CS..Hα-helixtrans-58.3-38.7171-62.6-43.8000111.7A226 I229 V232 K237 I238 L239 M256A226-Y235 WeakPolarHBondContact O-CE1 3.29Å; I229-Y235 HydrophobicContact CG2-CE1 4.5Å; I229-Y235 PolarHBondContact O-OH 3.44Å; V232-Y235 PolarHBondContact O-N 2.92Å; Y235-K237 PolarHBondContact O-N 3.26Å; Y235-I238 HydrophobicContact CD1-CD1 4.45Å; Y235-I238 PolarHBondContact O-N 2.96Å; Y235-L239 WeakPolarHBondContact O-CG 3.46Å; Y235-L239 PolarHBondContact O-N 3.3Å; Y235-M256 HydrophobicContact CD2-CE 3.76Å; Y235-M256 HydrophobicContact CD2-SD 4.25Å; Y235-M256 HydrophobicContact CE2-CE 4.33Å; Y235-M256 HydrophobicContact CG-CE 4.23Å
236R88.1Confident89.3Confident64 Ų6456.9 Ų56.924%0.24230%0.304CS..Hα-helixtrans-60.4-42.8173.4-76.6179.165.4-175.23.9112.9D33 A34 M37 V232 N234 I238 L239 K240D33-R236 IonicContact OD2-CZ 3.94Å; D33-R236 IonicContact OD2-NH1 2.76Å; D33-R236 IonicContact OD2-NH2 3.18Å; D33-R236 PolarHBondContact OD2-NH2 2.96Å; A34-R236 HydrophobicContact CB-CG 3.74Å; M37-R236 HydrophobicContact CE-CB 4.16Å; M37-R236 HydrophobicContact CE-CG 4.22Å; M37-R236 WeakPolarHBondContact CE-O 3.47Å; V232-R236 WeakPolarHBondContact O-CG 3.24Å; V232-R236 PolarHBondContact O-N 3.13Å; N234-R236 PolarHBondContact O-N 3.23Å; R236-I238 VanDerWaalsContact C-N 3.33Å; R236-I238 PolarHBondContact O-N 2.88Å; R236-L239 PolarHBondContact O-N 3.48Å; R236-K240 VanDerWaalsContact O-CB 3.28Å; R236-K240 WeakPolarHBondContact O-CB 3.46Å; R236-K240 PolarHBondContact O-N 3.11Å
237K90.4Very high89.4Confident133 Ų13358 Ų5858%0.57830%0.304SS*.Hα-helixtrans-63.3-40.7177.8-70.5173.5-175.6175.50111.8S233 N234 Y235 K240 A241S233-K237 WeakPolarHBondContact O-CG 3.37Å; S233-K237 PolarHBondContact O-N 2.59Å; N234-K237 WeakPolarHBondContact O-CB 3.31Å; N234-K237 PolarHBondContact O-N 2.85Å; N234-K237 VanDerWaalsContact O-N 3.07Å; Y235-K237 PolarHBondContact O-N 3.26Å; K237-K240 PolarHBondContact O-N 2.86Å; K237-A241 PolarHBondContact O-N 2.86Å
238I93.3Very high89.8Confident17 Ų1756 Ų569%0.08729%0.294CS..Hα-helixtrans-62.2-52.8176.7-65.7164.3000110.5L160 A163 V164 I229 N234 Y235 R236 K240 A241 V242L160-I238 HydrophobicContact CD1-CG2 3.56Å; A163-I238 HydrophobicContact CB-CB 4.38Å; A163-I238 HydrophobicContact CB-CG1 4.05Å; V164-I238 HydrophobicContact CG1-CD1 4.06Å; V164-I238 HydrophobicContact CG1-CG1 4.38Å; I229-I238 HydrophobicContact CD1-CD1 3.81Å; N234-I238 WeakPolarHBondContact O-CG1 3.3Å; N234-I238 PolarHBondContact O-N 2.88Å; Y235-I238 HydrophobicContact CD1-CD1 4.45Å; Y235-I238 PolarHBondContact O-N 2.96Å; R236-I238 VanDerWaalsContact C-N 3.33Å; R236-I238 PolarHBondContact O-N 2.88Å; I238-K240 VanDerWaalsContact C-N 3.26Å; I238-K240 PolarHBondContact O-N 2.82Å; I238-A241 WeakPolarHBondContact O-CB 3.39Å; I238-A241 PolarHBondContact O-N 2.85Å; I238-A241 VanDerWaalsContact O-N 3.12Å; I238-V242 PolarHBondContact O-N 2.86Å
239L92.7Very high90.1Very high15 Ų1553 Ų538%0.07927%0.272CS..Hα-helixtrans-60.3-37.6178.4-70.8172.4000112M37 V38 I41 Y235 R236 A241 V242 E243 M246 W252 M255M37-L239 HydrophobicContact CE-CB 3.36Å; M37-L239 HydrophobicContact CE-CD1 3.98Å; M37-L239 HydrophobicContact CE-CG 4.35Å; M37-L239 HydrophobicContact SD-CB 4.03Å; V38-L239 HydrophobicContact CG2-CD1 3.66Å; I41-L239 HydrophobicContact CD1-CB 4.38Å; I41-L239 HydrophobicContact CD1-CD2 4.27Å; Y235-L239 WeakPolarHBondContact O-CG 3.46Å; Y235-L239 PolarHBondContact O-N 3.3Å; R236-L239 PolarHBondContact O-N 3.48Å; L239-A241 VanDerWaalsContact C-N 3.33Å; L239-A241 PolarHBondContact O-N 3.45Å; L239-V242 WeakPolarHBondContact O-CG2 3.34Å; L239-V242 PolarHBondContact O-N 2.86Å; L239-E243 WeakPolarHBondContact O-CA 3.47Å; L239-E243 PolarHBondContact O-N 2.85Å; L239-M246 HydrophobicContact CD2-CE 4.16Å; L239-W252 HydrophobicContact CD1-CE3 3.84Å; L239-W252 HydrophobicContact CD1-CZ3 3.56Å; L239-M255 HydrophobicContact CD1-SD 4.3Å; L239-M255 HydrophobicContact CD2-CE 4.36Å; L239-M255 HydrophobicContact CD2-SD 3.87Å
240K92.3Very high90.4Very high118 Ų11851.9 Ų51.951%0.51327%0.266SS..Hα-helixtrans-65.6-36.7177.1-169.656.6173.2174.20112.4M37 R236 K237 I238 V242 E243M37-K240 WeakPolarHBondContact SD-CA 3.36Å; M37-K240 HydrophobicContact SD-CB 3.59Å; M37-K240 VanDerWaalsContact SD-CB 3.59Å; M37-K240 HydrophobicContact SD-CD 3.79Å; M37-K240 HydrophobicContact SD-CG 4.28Å; M37-K240 PolarHBondContact SD-N 3.35Å; M37-K240 VanDerWaalsContact SD-N 3.37Å; R236-K240 VanDerWaalsContact O-CB 3.28Å; R236-K240 WeakPolarHBondContact O-CB 3.46Å; R236-K240 PolarHBondContact O-N 3.11Å; K237-K240 PolarHBondContact O-N 2.86Å; I238-K240 VanDerWaalsContact C-N 3.26Å; I238-K240 PolarHBondContact O-N 2.82Å; K240-V242 VanDerWaalsContact C-N 3.34Å; K240-E243 WeakPolarHBondContact CE-OE2 2.88Å; K240-E243 IonicContact NZ-OE1 3.63Å; K240-E243 PolarHBondContact NZ-OE1 2.73Å; K240-E243 IonicContact NZ-OE2 2.8Å; K240-E243 PolarHBondContact NZ-OE2 2.83Å; K240-E243 WeakPolarHBondContact O-CB 3.49Å
241A93.9Very high91Very high36 Ų3647.7 Ų47.730%0.29825%0.246SC..Hα-helixtrans-65-39.1178.300000111.7D159 A163 K237 I238 L239D159-A241 HydrophobicContact CB-CB 4.33Å; A163-A241 HydrophobicContact CB-CB 3.74Å; K237-A241 PolarHBondContact O-N 2.86Å; I238-A241 WeakPolarHBondContact O-CB 3.39Å; I238-A241 PolarHBondContact O-N 2.85Å; I238-A241 VanDerWaalsContact O-N 3.12Å; L239-A241 VanDerWaalsContact C-N 3.33Å; L239-A241 PolarHBondContact O-N 3.45Å
242V93.2Very high91.4Very high1 Ų146.4 Ų46.41%0.00623%0.228CC..Hα-helixtrans-93.4-0.6-177.2-57.20000114.3L160 I238 L239 K240 K244 N245 M246L160-V242 HydrophobicContact CB-CG1 3.67Å; L160-V242 HydrophobicContact CD1-CG1 4.06Å; L160-V242 HydrophobicContact CG-CG1 4.34Å; I238-V242 PolarHBondContact O-N 2.86Å; L239-V242 WeakPolarHBondContact O-CG2 3.34Å; L239-V242 PolarHBondContact O-N 2.86Å; K240-V242 VanDerWaalsContact C-N 3.34Å; V242-K244 VanDerWaalsContact C-N 3.26Å; V242-K244 PolarHBondContact O-N 2.82Å; V242-N245 CarbonylContact O-C 3.56Å; V242-N245 PolarHBondContact O-N 2.91Å; V242-M246 HydrophobicContact CB-CB 3.94Å; V242-M246 HydrophobicContact CB-SD 4.41Å; V242-M246 HydrophobicContact CG2-CB 4.05Å; V242-M246 HydrophobicContact CG2-CE 3.54Å; V242-M246 HydrophobicContact CG2-SD 3.83Å; V242-M246 WeakPolarHBondContact O-CB 3.12Å; V242-M246 PolarHBondContact O-N 2.98Å
243E91.4Very high91.8Very high42 Ų4248.8 Ų48.820%0.19624%0.239CC..THydrogen-bonded Turntrans-49.8-40.6-168.2-172.9-172.4-134.700114.2M37 S40 I41 L239 K240M37-E243 HydrophobicContact CG-CG 4.45Å; S40-E243 VanDerWaalsContact OG-CG 3.23Å; S40-E243 WeakPolarHBondContact OG-CG 3.48Å; S40-E243 PolarHBondContact OG-OE1 3.47Å; I41-E243 HydrophobicContact CD1-CB 4.35Å; I41-E243 HydrophobicContact CD1-CG 4.49Å; I41-E243 HydrophobicContact CG1-CB 4.35Å; I41-E243 HydrophobicContact CG1-CG 4.14Å; L239-E243 WeakPolarHBondContact O-CA 3.47Å; L239-E243 PolarHBondContact O-N 2.85Å; K240-E243 WeakPolarHBondContact CE-OE2 2.88Å; K240-E243 IonicContact NZ-OE1 3.63Å; K240-E243 PolarHBondContact NZ-OE1 2.73Å; K240-E243 IonicContact NZ-OE2 2.8Å; K240-E243 PolarHBondContact NZ-OE2 2.83Å; K240-E243 WeakPolarHBondContact O-CB 3.49Å
244K89.9Confident92.2Very high161 Ų16147.4 Ų47.470%0.723%0.227SC*.THydrogen-bonded Turntrans-90.2-10.6-176.7-62.2-176.9179.1-177.90114.3V242V242-K244 VanDerWaalsContact C-N 3.26Å; V242-K244 PolarHBondContact O-N 2.82Å
245N92.7Very high92.4Very high7 Ų746 Ų464%0.03722%0.218CC..THydrogen-bonded Turntrans-129.15-163.7-70.3-47.6000113.2L77 I152 N153 R155 D159 V242L77-N245 VanDerWaalsContact CD1-C 3.41Å; L77-N245 WeakPolarHBondContact CD1-O 3.33Å; I152-N245 WeakPolarHBondContact CA-O 3.43Å; I152-N245 WeakPolarHBondContact CG1-O 3.39Å; N153-N245 PolarHBondContact N-O 2.76Å; N153-N245 PolarHBondContact ND2-OD1 3.34Å; N153-N245 VanDerWaalsContact OD1-CB 3.28Å; N153-N245 WeakPolarHBondContact OD1-CB 3.42Å; N153-N245 PolarHBondContact OD1-OD1 2.91Å; R155-N245 VanDerWaalsContact CD-ND2 3.32Å; R155-N245 WeakPolarHBondContact CD-ND2 3.24Å; R155-N245 WeakPolarHBondContact CG-ND2 3.48Å; D159-N245 PolarHBondContact OD2-ND2 2.83Å; V242-N245 CarbonylContact O-C 3.56Å; V242-N245 PolarHBondContact O-N 2.91Å
246M93.6Very high92.4Very high20 Ų2045.5 Ų45.510%0.09922%0.219CC..EExtended strand (participates in β ladder)trans-130.4148.7174.4-173.91787900109.5I41 V150 S151 I152 L239 V242I41-M246 HydrophobicContact CD1-CE 4.25Å; I41-M246 HydrophobicContact CG2-CB 4.33Å; I41-M246 HydrophobicContact CG2-CE 3.65Å; I41-M246 HydrophobicContact CG2-CG 4.33Å; I41-M246 WeakPolarHBondContact CG2-O 3.43Å; V150-M246 HydrophobicContact CG1-CG 3.88Å; V150-M246 HydrophobicContact CG1-SD 3.84Å; S151-M246 CarbonylContact O-C 3.47Å; S151-M246 VanDerWaalsContact O-CA 3.28Å; S151-M246 WeakPolarHBondContact O-CA 3.35Å; I152-M246 HydrophobicContact CG1-CB 4.3Å; L239-M246 HydrophobicContact CD2-CE 4.16Å; V242-M246 HydrophobicContact CB-CB 3.94Å; V242-M246 HydrophobicContact CB-SD 4.41Å; V242-M246 HydrophobicContact CG2-CB 4.05Å; V242-M246 HydrophobicContact CG2-CE 3.54Å; V242-M246 HydrophobicContact CG2-SD 3.83Å; V242-M246 WeakPolarHBondContact O-CB 3.12Å; V242-M246 PolarHBondContact O-N 2.98Å
247K94.1Very high92.6Very high52 Ų5244.1 Ų44.123%0.22622%0.216CC..EExtended strand (participates in β ladder)trans-136.4147.2169-69.4169.7163.9-169.90110.1I41 Q43 L77 Y149 V150 S151I41-K247 WeakPolarHBondContact O-CA 3.23Å; Q43-K247 VanDerWaalsContact OE1-CD 3.23Å; Q43-K247 VanDerWaalsContact OE1-CE 3.27Å; L77-K247 HydrophobicContact CB-CD 4.09Å; L77-K247 HydrophobicContact CB-CG 4.45Å; L77-K247 HydrophobicContact CD1-CB 4.35Å; L77-K247 HydrophobicContact CD1-CD 4.04Å; L77-K247 HydrophobicContact CD1-CG 3.85Å; L77-K247 HydrophobicContact CD2-CD 4.47Å; L77-K247 HydrophobicContact CG-CD 4.46Å; L77-K247 WeakPolarHBondContact O-CE 3.43Å; Y149-K247 HydrophobicContact CE2-CB 4.23Å; V150-K247 CarbonylContact C-O 3.53Å; V150-K247 WeakPolarHBondContact CA-O 3.29Å; S151-K247 PolarHBondContact N-O 3.09Å; S151-K247 PolarHBondContact O-N 2.82Å; S151-K247 WeakPolarHBondContact OG-CB 3.41Å
248T96Very high92.7Very high0 Ų039 Ų390%019%0.194CC..EExtended strand (participates in β ladder)trans-154.2165.4177.8-175.90000110.2I41 R42 Q43 Y149 L250 M255I41-T248 HydrophobicContact CG2-CG2 4.09Å; I41-T248 PolarHBondContact O-N 3.35Å; R42-T248 CarbonylContact C-O 3.47Å; R42-T248 WeakPolarHBondContact CA-O 3.42Å; Q43-T248 PolarHBondContact N-O 3.23Å; Y149-T248 VanDerWaalsContact O-CA 3.29Å; Y149-T248 WeakPolarHBondContact O-CA 3.33Å; Y149-T248 VanDerWaalsContact O-CB 3.26Å; Y149-T248 WeakPolarHBondContact O-CB 3.45Å; Y149-T248 PolarHBondContact O-OG1 3.43Å; T248-L250 HydrophobicContact CG2-CB 4.2Å; T248-L250 PolarHBondContact OG1-N 3.21Å; T248-L250 VanDerWaalsContact OG1-N 3.15Å; T248-M255 HydrophobicContact CG2-CE 3.69Å
249D95.1Very high92.6Very high14 Ų1439 Ų398%0.07520%0.199CC..SBendtrans-99.7-2.7165.667.4-23000113.7K56 H148 Y149K56-D249 IonicContact NZ-OD2 3.06Å; K56-D249 PolarHBondContact NZ-OD2 3.42Å; H148-D249 VanDerWaalsContact CA-OD1 3.24Å; H148-D249 WeakPolarHBondContact CA-OD1 3.5Å; H148-D249 WeakPolarHBondContact CB-OD1 3.5Å; H148-D249 IonicContact CG-OD1 3.73Å; H148-D249 IonicContact ND1-OD1 3.7Å; H148-D249 PolarHBondContact ND1-OD1 2.83Å; H148-D249 IonicContact ND1-OD2 2.82Å; H148-D249 PolarHBondContact ND1-OD2 2.73Å; Y149-D249 HydrophobicContact CD1-CB 4.15Å; Y149-D249 HydrophobicContact CE1-CB 3.8Å; Y149-D249 PolarHBondContact N-OD1 3.46Å; Y149-D249 VanDerWaalsContact N-OD1 3.1Å
250L94.4Very high92.4Very high9 Ų942.4 Ų42.45%0.04722%0.221CC..  trans-65.8137.6175-68.5166.1000111.4V38 I59 H148 V150 T248 D254 M255 I258V38-L250 WeakPolarHBondContact CG1-O 3.33Å; I59-L250 HydrophobicContact CD1-CD2 4.08Å; H148-L250 HydrophobicContact CB-CD2 4.19Å; H148-L250 HydrophobicContact CB-CG 4.29Å; H148-L250 WeakPolarHBondContact ND1-CD2 3.25Å; V150-L250 HydrophobicContact CG2-CD1 4.44Å; T248-L250 HydrophobicContact CG2-CB 4.2Å; T248-L250 PolarHBondContact OG1-N 3.21Å; T248-L250 VanDerWaalsContact OG1-N 3.15Å; L250-D254 HydrophobicContact CB-CB 4.36Å; L250-D254 HydrophobicContact CD2-CB 3.75Å; L250-M255 HydrophobicContact CB-CE 3.9Å; L250-M255 HydrophobicContact CB-CG 4.28Å; L250-I258 HydrophobicContact CD1-CD1 4.38Å; L250-I258 HydrophobicContact CD2-CD1 4.07Å
251T92.5Very high92.4Very high45 Ų4540 Ų4028%0.27621%0.213SC..  trans-85.4169.317268.10000111.4D253 D254 M255T251-D253 VanDerWaalsContact C-N 3.25Å; T251-D253 PolarHBondContact O-N 2.9Å; T251-D254 WeakPolarHBondContact CB-OD2 3.2Å; T251-D254 PolarHBondContact N-OD2 2.86Å; T251-D254 PolarHBondContact O-N 3.31Å; T251-D254 PolarHBondContact OG1-N 3.09Å; T251-D254 VanDerWaalsContact OG1-N 3.15Å; T251-D254 PolarHBondContact OG1-OD2 3.09Å; T251-M255 WeakPolarHBondContact O-CG 3.49Å; T251-M255 PolarHBondContact O-N 3.1Å; T251-M255 VanDerWaalsContact O-N 3.09Å
252W91Very high92.4Very high16 Ų1638.3 Ų38.36%0.06120%0.199CC..Hα-helixtrans-60.7-38.9174170.2-100000111.7A34 V38 V232 L239 M255 M256A34-W252 HydrophobicContact CB-CD2 3.72Å; A34-W252 HydrophobicContact CB-CE3 3.75Å; A34-W252 HydrophobicContact CB-CH2 3.72Å; A34-W252 HydrophobicContact CB-CZ2 3.68Å; A34-W252 HydrophobicContact CB-CZ3 3.76Å; V38-W252 HydrophobicContact CB-CB 4.2Å; V38-W252 HydrophobicContact CG2-CB 3.97Å; V38-W252 HydrophobicContact CG2-CE3 3.8Å; V232-W252 HydrophobicContact CG1-CH2 3.88Å; V232-W252 HydrophobicContact CG1-CZ2 3.71Å; L239-W252 HydrophobicContact CD1-CE3 3.84Å; L239-W252 HydrophobicContact CD1-CZ3 3.56Å; W252-M255 PolarHBondContact O-N 3.37Å; W252-M256 HydrophobicContact CD2-CG 4.19Å; W252-M256 HydrophobicContact CE3-CE 4.28Å; W252-M256 HydrophobicContact CH2-CE 3.5Å; W252-M256 HydrophobicContact CH2-CG 4.29Å; W252-M256 HydrophobicContact CH2-SD 3.67Å; W252-M256 HydrophobicContact CZ2-CE 3.9Å; W252-M256 HydrophobicContact CZ2-CG 3.69Å; W252-M256 HydrophobicContact CZ2-SD 3.46Å; W252-M256 WeakPolarHBondContact CZ2-SD 2.81Å; W252-M256 HydrophobicContact CZ3-CE 3.71Å; W252-M256 HydrophobicContact CZ3-SD 4.4Å; W252-M256 WeakPolarHBondContact O-CG 3.39Å; W252-M256 PolarHBondContact O-N 3.01Å
253D90.1Very high92.3Very high103 Ų10341.7 Ų41.755%0.55122%0.217SC*.Hα-helixtrans-66.7-46.9179.2-62.5-22.7000110T251 M255 M256 D257T251-D253 VanDerWaalsContact C-N 3.25Å; T251-D253 PolarHBondContact O-N 2.9Å; D253-M255 VanDerWaalsContact C-N 3.27Å; D253-M255 PolarHBondContact O-N 3.02Å; D253-M256 PolarHBondContact O-N 3.25Å; D253-D257 PolarHBondContact O-N 2.55Å
254D93.7Very high92.3Very high29 Ų2941.4 Ų41.416%0.15522%0.22CC..Hα-helixtrans-53.2-45173.9-60-44.1000111.8I59 L250 T251 M256 D257 I258I59-D254 HydrophobicContact CD1-CB 3.83Å; L250-D254 HydrophobicContact CB-CB 4.36Å; L250-D254 HydrophobicContact CD2-CB 3.75Å; T251-D254 WeakPolarHBondContact CB-OD2 3.2Å; T251-D254 PolarHBondContact N-OD2 2.86Å; T251-D254 PolarHBondContact O-N 3.31Å; T251-D254 PolarHBondContact OG1-N 3.09Å; T251-D254 VanDerWaalsContact OG1-N 3.15Å; T251-D254 PolarHBondContact OG1-OD2 3.09Å; D254-M256 PolarHBondContact O-N 3.37Å; D254-D257 PolarHBondContact O-N 2.78Å; D254-I258 WeakPolarHBondContact O-CB 3.37Å; D254-I258 WeakPolarHBondContact O-CD1 3.2Å; D254-I258 WeakPolarHBondContact O-CG1 3.18Å; D254-I258 PolarHBondContact O-N 2.6Å
255M92.7Very high92.6Very high34 Ų3433.8 Ų33.817%0.16719%0.187CC..Hα-helixtrans-65.5-37.5179.1-68.8179.5-171.600112.5V38 L239 T248 L250 T251 W252 D253 G259V38-M255 HydrophobicContact CG1-CE 4.15Å; V38-M255 HydrophobicContact CG2-SD 4.1Å; L239-M255 HydrophobicContact CD1-SD 4.3Å; L239-M255 HydrophobicContact CD2-CE 4.36Å; L239-M255 HydrophobicContact CD2-SD 3.87Å; T248-M255 HydrophobicContact CG2-CE 3.69Å; L250-M255 HydrophobicContact CB-CE 3.9Å; L250-M255 HydrophobicContact CB-CG 4.28Å; T251-M255 WeakPolarHBondContact O-CG 3.49Å; T251-M255 PolarHBondContact O-N 3.1Å; T251-M255 VanDerWaalsContact O-N 3.09Å; W252-M255 PolarHBondContact O-N 3.37Å; D253-M255 VanDerWaalsContact C-N 3.27Å; D253-M255 PolarHBondContact O-N 3.02Å; M255-G259 PolarHBondContact O-N 3.15Å
256M90.1Very high92.5Very high40 Ų4034.1 Ų34.120%0.19719%0.188CC..Hα-helixtrans-70.2-43.4176.1-70.1-58.493.400111.3Y235 W252 D253 D254 I258 G259 T260Y235-M256 HydrophobicContact CD2-CE 3.76Å; Y235-M256 HydrophobicContact CD2-SD 4.25Å; Y235-M256 HydrophobicContact CE2-CE 4.33Å; Y235-M256 HydrophobicContact CG-CE 4.23Å; W252-M256 HydrophobicContact CD2-CG 4.19Å; W252-M256 HydrophobicContact CE3-CE 4.28Å; W252-M256 HydrophobicContact CH2-CE 3.5Å; W252-M256 HydrophobicContact CH2-CG 4.29Å; W252-M256 HydrophobicContact CH2-SD 3.67Å; W252-M256 HydrophobicContact CZ2-CE 3.9Å; W252-M256 HydrophobicContact CZ2-CG 3.69Å; W252-M256 HydrophobicContact CZ2-SD 3.46Å; W252-M256 WeakPolarHBondContact CZ2-SD 2.81Å; W252-M256 HydrophobicContact CZ3-CE 3.71Å; W252-M256 HydrophobicContact CZ3-SD 4.4Å; W252-M256 WeakPolarHBondContact O-CG 3.39Å; W252-M256 PolarHBondContact O-N 3.01Å; D253-M256 PolarHBondContact O-N 3.25Å; D254-M256 PolarHBondContact O-N 3.37Å; M256-I258 PolarHBondContact O-N 2.61Å; M256-G259 CarbonylContact O-C 3.53Å; M256-G259 WeakPolarHBondContact O-CA 3.35Å; M256-G259 PolarHBondContact O-N 3.29Å; M256-T260 WeakPolarHBondContact O-CG2 2.97Å; M256-T260 PolarHBondContact O-N 2.86Å; M256-T260 PolarHBondContact O-OG1 2.88Å; M256-T260 VanDerWaalsContact O-OG1 3.08Å
257D92.2Very high92.3Very high35 Ų3538.5 Ų38.519%0.18721%0.212CC..Hα-helixtrans-65.7-37.2176.7-74.4-52.7000112.1I59 D253 D254 G259 T260 N261I59-D257 HydrophobicContact CG2-CB 3.75Å; D253-D257 PolarHBondContact O-N 2.55Å; D254-D257 PolarHBondContact O-N 2.78Å; D257-G259 VanDerWaalsContact C-N 3.33Å; D257-T260 PolarHBondContact O-N 2.84Å; D257-N261 WeakPolarHBondContact O-CA 3.19Å; D257-N261 VanDerWaalsContact O-CB 3.25Å; D257-N261 WeakPolarHBondContact O-CB 3.16Å; D257-N261 PolarHBondContact O-N 3.46Å; D257-N261 PolarHBondContact OD1-ND2 2.75Å
258I93.1Very high92.4Very high24 Ų2439.8 Ų39.812%0.12322%0.224CC..Hα-helixtrans-61.1-45.9168.6-68.4163.7000110.3I59 F65 L250 D254 M256 T260 Y262 F266I59-I258 HydrophobicContact CD1-CD1 4.35Å; I59-I258 HydrophobicContact CG2-CG1 3.98Å; F65-I258 HydrophobicContact CE1-CD1 4.48Å; F65-I258 HydrophobicContact CE1-CG1 4.21Å; F65-I258 HydrophobicContact CE2-CD1 4.17Å; F65-I258 HydrophobicContact CZ-CD1 3.58Å; F65-I258 HydrophobicContact CZ-CG1 3.74Å; L250-I258 HydrophobicContact CD1-CD1 4.38Å; L250-I258 HydrophobicContact CD2-CD1 4.07Å; D254-I258 WeakPolarHBondContact O-CB 3.37Å; D254-I258 WeakPolarHBondContact O-CD1 3.2Å; D254-I258 WeakPolarHBondContact O-CG1 3.18Å; D254-I258 PolarHBondContact O-N 2.6Å; M256-I258 PolarHBondContact O-N 2.61Å; I258-T260 PolarHBondContact O-N 3.12Å; I258-Y262 HydrophobicContact CG1-CD2 4.41Å; I258-Y262 WeakPolarHBondContact O-CB 3.48Å; I258-Y262 PolarHBondContact O-N 3.23Å; I258-F266 HydrophobicContact CG2-CE2 4.26Å; I258-F266 HydrophobicContact CG2-CZ 4.29Å
259G89.7Confident92.4Very high19 Ų1940.7 Ų40.720%0.19623%0.229CC..Hα-helixtrans-65.6-16.1-18000000114.9M255 M256 D257 L263M255-G259 PolarHBondContact O-N 3.15Å; M256-G259 CarbonylContact O-C 3.53Å; M256-G259 WeakPolarHBondContact O-CA 3.35Å; M256-G259 PolarHBondContact O-N 3.29Å; D257-G259 VanDerWaalsContact C-N 3.33Å; G259-L263 WeakPolarHBondContact O-CD1 3.27Å; G259-L263 WeakPolarHBondContact O-CD2 3.27Å; G259-L263 VanDerWaalsContact O-CG 3.23Å; G259-L263 WeakPolarHBondContact O-CG 3.23Å
260T88.8Confident92.4Very high86 Ų8643.9 Ų43.953%0.52824%0.242SC..Hα-helixtrans-116-52.5179.456.80000113M256 D257 I258M256-T260 WeakPolarHBondContact O-CG2 2.97Å; M256-T260 PolarHBondContact O-N 2.86Å; M256-T260 PolarHBondContact O-OG1 2.88Å; M256-T260 VanDerWaalsContact O-OG1 3.08Å; D257-T260 PolarHBondContact O-N 2.84Å; I258-T260 PolarHBondContact O-N 3.12Å
261N91.8Very high92.4Very high67 Ų6747.3 Ų47.336%0.35826%0.258SS..Hα-helixtrans-86.1-22.7-169.3-52.4-24.1000111.8D257D257-N261 WeakPolarHBondContact O-CA 3.19Å; D257-N261 VanDerWaalsContact O-CB 3.25Å; D257-N261 WeakPolarHBondContact O-CB 3.16Å; D257-N261 PolarHBondContact O-N 3.46Å; D257-N261 PolarHBondContact OD1-ND2 2.75Å
262Y94.2Very high92.5Very high0 Ų046.9 Ų46.90%025%0.252CS..SBendtrans-105.12.7-177.4-69.8-104.8000114.8I59 A62 E63 F65 I93 P95 I258 S264 A265 F266I59-Y262 WeakPolarHBondContact CA-OH 3.37Å; I59-Y262 HydrophobicContact CB-CE2 4.48Å; I59-Y262 HydrophobicContact CG2-CD2 4.38Å; I59-Y262 HydrophobicContact CG2-CE2 3.64Å; I59-Y262 VanDerWaalsContact O-CE2 3.24Å; I59-Y262 WeakPolarHBondContact O-CE2 3.47Å; I59-Y262 PolarHBondContact O-OH 3.04Å; A62-Y262 VanDerWaalsContact C-OH 3.25Å; A62-Y262 VanDerWaalsContact CA-OH 3.29Å; A62-Y262 WeakPolarHBondContact CA-OH 3.41Å; E63-Y262 PolarHBondContact N-OH 2.88Å; E63-Y262 WeakPolarHBondContact O-CE1 3.37Å; E63-Y262 PolarHBondContact O-OH 2.96Å; F65-Y262 HydrophobicContact CD1-CD1 4.43Å; F65-Y262 AromaticContact CD1-CE1 3.63Å; F65-Y262 HydrophobicContact CD1-CE1 3.63Å; F65-Y262 AromaticContact CD1-CZ 3.88Å; F65-Y262 AromaticContact CE1-CD1 3.8Å; F65-Y262 HydrophobicContact CE1-CD1 3.8Å; F65-Y262 AromaticContact CE1-CE1 3.39Å; F65-Y262 HydrophobicContact CE1-CE1 3.39Å; F65-Y262 HydrophobicContact CE1-CE2 4.31Å; F65-Y262 HydrophobicContact CE1-CG 4.38Å; F65-Y262 AromaticContact CE1-CZ 3.68Å; I93-Y262 HydrophobicContact CG2-CD1 3.62Å; I93-Y262 HydrophobicContact CG2-CE1 4.35Å; I93-Y262 HydrophobicContact CG2-CG 4.44Å; P95-Y262 HydrophobicContact CB-CD1 3.87Å; P95-Y262 HydrophobicContact CB-CE1 4.3Å; P95-Y262 HydrophobicContact CB-CG 4.32Å; P95-Y262 HydrophobicContact CG-CD1 3.55Å; P95-Y262 HydrophobicContact CG-CE1 3.46Å; P95-Y262 VanDerWaalsContact CG-CE1 3.46Å; P95-Y262 HydrophobicContact CG-CG 4.29Å; I258-Y262 HydrophobicContact CG1-CD2 4.41Å; I258-Y262 WeakPolarHBondContact O-CB 3.48Å; I258-Y262 PolarHBondContact O-N 3.23Å; Y262-S264 PolarHBondContact O-N 2.86Å; Y262-S264 VanDerWaalsContact O-N 3.08Å; Y262-A265 WeakPolarHBondContact O-CA 3.37Å; Y262-A265 WeakPolarHBondContact O-CB 3.35Å; Y262-A265 PolarHBondContact O-N 2.9Å; Y262-F266 VanDerWaalsContact O-CD2 3.24Å; Y262-F266 WeakPolarHBondContact O-CD2 3.21Å; Y262-F266 WeakPolarHBondContact O-CE2 3.05Å
263L90.9Very high92.6Very high72 Ų7246.9 Ų46.938%0.37725%0.252SS..G310 helixtrans-51.7-39.7-179.8-71.4177.9000112.9M227 G259 A265 F266M227-L263 HydrophobicContact CB-CD2 4.02Å; M227-L263 HydrophobicContact CG-CD2 3.94Å; M227-L263 HydrophobicContact SD-CD2 4.19Å; G259-L263 WeakPolarHBondContact O-CD1 3.27Å; G259-L263 WeakPolarHBondContact O-CD2 3.27Å; G259-L263 VanDerWaalsContact O-CG 3.23Å; G259-L263 WeakPolarHBondContact O-CG 3.23Å; L263-A265 PolarHBondContact O-N 3.1Å; L263-F266 PolarHBondContact O-N 3.36Å; L263-F266 VanDerWaalsContact O-N 3.13Å
264S93Very high92.8Very high37 Ų3742 Ų4226%0.25923%0.226SC..G310 helixtrans-65.3-24.8177.4680000113.8K98 Y262 F266 D267K98-S264 CarbonylContact C-O 3.44Å; K98-S264 VanDerWaalsContact C-O 3.24Å; K98-S264 WeakPolarHBondContact CA-O 3.4Å; K98-S264 WeakPolarHBondContact CB-O 3.49Å; Y262-S264 PolarHBondContact O-N 2.86Å; Y262-S264 VanDerWaalsContact O-N 3.08Å; S264-F266 PolarHBondContact O-N 3.1Å; S264-F266 VanDerWaalsContact O-N 3.17Å; S264-D267 WeakPolarHBondContact O-CB 3.47Å; S264-D267 PolarHBondContact O-N 3.39Å
265A94.9Very high92.5Very high0 Ų040.9 Ų40.90%022%0.221CC..G310 helixtrans-65.2-16.1175.500000112.7I93 P95 K99 S100 Y262 L263I93-A265 HydrophobicContact CG2-CB 3.48Å; I93-A265 VanDerWaalsContact CG2-CB 3.48Å; P95-A265 HydrophobicContact CB-CB 4.33Å; K99-A265 CarbonylContact C-O 3.57Å; K99-A265 VanDerWaalsContact CA-O 3.25Å; K99-A265 WeakPolarHBondContact CA-O 3.4Å; K99-A265 PolarHBondContact N-O 2.95Å; S100-A265 WeakPolarHBondContact CB-O 3.47Å; S100-A265 PolarHBondContact N-O 3.02Å; S100-A265 PolarHBondContact OG-O 2.81Å; Y262-A265 WeakPolarHBondContact O-CA 3.37Å; Y262-A265 WeakPolarHBondContact O-CB 3.35Å; Y262-A265 PolarHBondContact O-N 2.9Å; L263-A265 PolarHBondContact O-N 3.1Å
266F91.2Very high92.4Very high15 Ų1539.3 Ų39.37%0.06621%0.213CC..G310 helixtrans-105.72.5-177.2-53.2-70.7000113.8I93 S100 L223 M227 I258 Y262 L263 S264 T268 I269I93-F266 HydrophobicContact CD1-CE1 4.15Å; I93-F266 HydrophobicContact CD1-CZ 4.03Å; I93-F266 HydrophobicContact CG1-CE1 4.28Å; I93-F266 HydrophobicContact CG1-CZ 4.49Å; I93-F266 HydrophobicContact CG2-CE1 4.21Å; I93-F266 HydrophobicContact CG2-CZ 4.02Å; S100-F266 WeakPolarHBondContact OG-CD1 3.47Å; L223-F266 HydrophobicContact CD1-CD1 4.37Å; L223-F266 HydrophobicContact CD1-CE1 4.1Å; L223-F266 HydrophobicContact CD1-CZ 4.27Å; L223-F266 HydrophobicContact CD2-CD1 3.62Å; L223-F266 HydrophobicContact CD2-CE1 3.78Å; L223-F266 HydrophobicContact CD2-CG 4.43Å; L223-F266 HydrophobicContact CG-CD1 4.28Å; L223-F266 HydrophobicContact CG-CE1 4.42Å; M227-F266 HydrophobicContact CE-CB 3.53Å; M227-F266 HydrophobicContact CE-CD2 4.39Å; M227-F266 HydrophobicContact CE-CG 4.04Å; M227-F266 HydrophobicContact SD-CB 3.39Å; M227-F266 WeakPolarHBondContact SD-CB 3.21Å; M227-F266 HydrophobicContact SD-CD1 4.35Å; M227-F266 HydrophobicContact SD-CD2 3.15Å; M227-F266 WeakPolarHBondContact SD-CD2 3.41Å; M227-F266 HydrophobicContact SD-CE2 3.94Å; M227-F266 HydrophobicContact SD-CG 3.38Å; M227-F266 WeakPolarHBondContact SD-CG 3.35Å; I258-F266 HydrophobicContact CG2-CE2 4.26Å; I258-F266 HydrophobicContact CG2-CZ 4.29Å; Y262-F266 VanDerWaalsContact O-CD2 3.24Å; Y262-F266 WeakPolarHBondContact O-CD2 3.21Å; Y262-F266 WeakPolarHBondContact O-CE2 3.05Å; L263-F266 PolarHBondContact O-N 3.36Å; L263-F266 VanDerWaalsContact O-N 3.13Å; S264-F266 PolarHBondContact O-N 3.1Å; S264-F266 VanDerWaalsContact O-N 3.17Å; F266-T268 VanDerWaalsContact C-N 3.26Å; F266-T268 PolarHBondContact O-N 3.37Å; F266-I269 HydrophobicContact CB-CD1 4.48Å
267D90.2Very high92.4Very high112 Ų11243.3 Ų43.360%0.59923%0.229SC*.SBendtrans-57.1-44.5169.9-72.8-16.2000110.3S264S264-D267 WeakPolarHBondContact O-CB 3.47Å; S264-D267 PolarHBondContact O-N 3.39Å
268T94.8Very high92.3Very high79 Ų7942.6 Ų42.649%0.48523%0.227SC..EExtended strand (participates in β ladder)trans-117.9116.6175.2-58.90000110.6K99 S100 F266K99-T268 WeakPolarHBondContact CA-O 3.38Å; K99-T268 HydrophobicContact CD-CG2 4.43Å; K99-T268 HydrophobicContact CG-CG2 4.13Å; S100-T268 PolarHBondContact N-O 2.91Å; F266-T268 VanDerWaalsContact C-N 3.26Å; F266-T268 PolarHBondContact O-N 3.37Å
269I95.5Very high92.1Very high19 Ų1945.5 Ų45.510%0.09724%0.24CC..EExtended strand (participates in β ladder)trans-112.4103.5174.3-58.1173.3000108.3S100 I102 T220 L223 F266 Q271S100-I269 CarbonylContact O-C 3.57Å; S100-I269 WeakPolarHBondContact O-CA 3.25Å; I102-I269 HydrophobicContact CD1-CG2 3.61Å; I102-I269 HydrophobicContact CG1-CG2 3.87Å; T220-I269 HydrophobicContact CG2-CD1 3.95Å; L223-I269 HydrophobicContact CD2-CD1 3.98Å; F266-I269 HydrophobicContact CB-CD1 4.48Å; I269-Q271 HydrophobicContact CG2-CG 4.17Å
270K96.1Very high92.3Very high81 Ų8149.1 Ų49.135%0.35225%0.253SS..EExtended strand (participates in β ladder)trans-77.1132.7171.5-172.8176.3-176.6-177.10108.5S100 T101 I102S100-K270 PolarHBondContact O-N 2.83Å; T101-K270 CarbonylContact C-O 3.24Å; T101-K270 VanDerWaalsContact CA-O 3.29Å; T101-K270 WeakPolarHBondContact CA-O 3.48Å; T101-K270 HydrophobicContact CG2-CB 4.26Å; T101-K270 HydrophobicContact CG2-CG 4.42Å; I102-K270 PolarHBondContact N-O 3.28Å
271Q95.1Very high92.4Very high80 Ų8047.5 Ų47.537%0.37424%0.241SC..EExtended strand (participates in β ladder)trans-118.4128.3-178.1-71.6178.864.800108.6I102 R216 I269I102-Q271 CarbonylContact O-C 3.58Å; I102-Q271 WeakPolarHBondContact O-CA 3.36Å; R216-Q271 HydrophobicContact CG-CG 4.25Å; I269-Q271 HydrophobicContact CG2-CG 4.17Å
272K94.6Very high92.4Very high37 Ų3751.4 Ų51.416%0.16126%0.262CS..EExtended strand (participates in β ladder)trans-132.7160.2175.7-86169.7157.2-71.20109.6I102 V103 S104 R216 D296 I297 T300I102-K272 PolarHBondContact O-N 2.94Å; V103-K272 WeakPolarHBondContact CA-O 3.32Å; V103-K272 HydrophobicContact CG2-CB 4.03Å; S104-K272 PolarHBondContact N-O 3.27Å; R216-K272 PolarHBondContact NH1-O 3.19Å; K272-D296 IonicContact NZ-OD2 2.72Å; K272-D296 PolarHBondContact NZ-OD2 2.87Å; K272-I297 HydrophobicContact CB-CD1 3.95Å; K272-I297 HydrophobicContact CD-CD1 3.61Å; K272-I297 HydrophobicContact CG-CD1 4.14Å; K272-T300 HydrophobicContact CD-CG2 4.07Å
273Q93Very high92.3Very high15 Ų1560.1 Ų60.17%0.0730%0.303CS..EExtended strand (participates in β ladder)trans-134.1135.3174.7-171.6175.7-30.300106.3S104 V209 Q212 V275S104-Q273 WeakPolarHBondContact O-CA 3.46Å; V209-Q273 VanDerWaalsContact CG2-NE2 3.31Å; Q212-Q273 VanDerWaalsContact OE1-CG 3.31Å; Q273-V275 HydrophobicContact CB-CG2 4.42Å; Q273-V275 HydrophobicContact CG-CG2 3.63Å; Q273-V275 VanDerWaalsContact NE2-CG2 3.35Å
274L93.7Very high92.4Very high1 Ų159 Ų591%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-101.9109.8175.317861.7000107.2V103 S104 L105 I109 L142 L289 E293 L294 I297V103-L274 HydrophobicContact CG1-CB 4.22Å; S104-L274 PolarHBondContact O-N 3.21Å; L105-L274 HydrophobicContact CD2-CB 4.06Å; L105-L274 HydrophobicContact CD2-CD2 3.89Å; I109-L274 HydrophobicContact CD1-CD2 4.29Å; I109-L274 HydrophobicContact CD1-CG 4.26Å; L142-L274 HydrophobicContact CD2-CD2 3.94Å; L274-L289 HydrophobicContact CD1-CD1 4.33Å; L274-L289 HydrophobicContact CD1-CD2 3.84Å; L274-L289 HydrophobicContact CD2-CD1 3.88Å; L274-L289 HydrophobicContact CD2-CD2 4.39Å; L274-L289 HydrophobicContact CG-CD1 4.19Å; L274-L289 HydrophobicContact CG-CD2 3.8Å; L274-E293 HydrophobicContact CD1-CG 4.15Å; L274-L294 HydrophobicContact CD1-CD1 4.38Å; L274-L294 HydrophobicContact CD2-CD1 3.89Å; L274-I297 HydrophobicContact CD1-CG1 4.1Å
275V86.8Confident92.3Very high5 Ų557.6 Ų57.63%0.0329%0.286CS..  trans-122.3142.9-178-175.10000108V209 Q273 T337V209-V275 HydrophobicContact CG2-CG2 4.21Å; Q273-V275 HydrophobicContact CB-CG2 4.42Å; Q273-V275 HydrophobicContact CG-CG2 3.63Å; Q273-V275 VanDerWaalsContact NE2-CG2 3.35Å; V275-T337 HydrophobicContact CG1-CG2 3.82Å
276G90.4Very high92.3Very high1 Ų158.6 Ų58.61%0.0129%0.289CS..  trans-109.3170.3175.200000113.2I288 A333G276-I288 CarbonylContact C-O 3.38Å; G276-I288 WeakPolarHBondContact CA-O 3.25Å; G276-A333 VanDerWaalsContact C-CB 3.47Å
277K90.2Very high92.4Very high124 Ų12457.9 Ų57.954%0.53929%0.286SS..EExtended strand (participates in β ladder)trans-68138168.5-179180174.9-175.90109.2Q287 I288 Y326 A333K277-Q287 CarbonylContact O-C 3.57Å; K277-Q287 WeakPolarHBondContact O-CA 3.48Å; K277-I288 PolarHBondContact N-O 3.22Å; K277-I288 PolarHBondContact O-N 3.26Å; K277-Y326 HydrophobicContact CB-CD1 4.38Å; K277-Y326 HydrophobicContact CB-CE1 3.85Å; K277-A333 HydrophobicContact CB-CB 4.29Å
278S90.1Very high92.6Very high20 Ų2052.8 Ų52.814%0.1426%0.259CS..EExtended strand (participates in β ladder)trans-65.9128.3172.9-71.10000111.7Y285 F340S278-Y285 WeakPolarHBondContact OG-CE2 3.31Å; S278-Y285 PolarHBondContact OG-OH 2.85Å; S278-F340 WeakPolarHBondContact OG-CB 3.35Å; S278-F340 WeakPolarHBondContact OG-CD2 3.39Å; S278-F340 WeakPolarHBondContact OG-CG 3.29Å
279Q89.6Confident92.7Very high85 Ų8549 Ų4940%0.39724%0.236SC..EExtended strand (participates in β ladder)trans-143.3134.7178.1-174.4164.9-35.600111I281 Y286 I288Q279-I281 HydrophobicContact CG-CG1 4.01Å; Q279-Y286 PolarHBondContact N-O 3.42Å; Q279-Y286 PolarHBondContact O-N 3.29Å; Q279-I288 HydrophobicContact CB-CG1 3.76Å; Q279-I288 HydrophobicContact CG-CG1 4.31Å; Q279-I288 VanDerWaalsContact OE1-CG1 3.3Å
280M93.1Very high92.7Very high95 Ų9548.1 Ų48.147%0.46823%0.231SC..EExtended strand (participates in β ladder)trans-93.1125.8169.4-63.3-62.6-69.700109E283 I284 Y285M280-E283 VanDerWaalsContact CE-C 3.46Å; M280-E283 WeakPolarHBondContact CE-O 3.5Å; M280-I284 WeakPolarHBondContact CA-O 3.26Å; M280-Y285 HydrophobicContact SD-CD2 4.23Å
281I91.3Very high92.7Very high53 Ų5345.3 Ų45.327%0.27222%0.221SC..EExtended strand (participates in β ladder)trans-126.8122.1172.8-54.8175.9000106.4L110 Q279 E283 I284 Y286 I288L110-I281 HydrophobicContact CD2-CD1 3.81Å; Q279-I281 HydrophobicContact CG-CG1 4.01Å; I281-E283 PolarHBondContact O-N 3.46Å; I281-I284 PolarHBondContact N-O 3.13Å; I281-I284 WeakPolarHBondContact O-CA 3.5Å; I281-I284 WeakPolarHBondContact O-CB 3.41Å; I281-I284 PolarHBondContact O-N 3.38Å; I281-Y286 HydrophobicContact CB-CD2 3.95Å; I281-Y286 HydrophobicContact CB-CE2 3.98Å; I281-Y286 HydrophobicContact CD1-CD2 4.08Å; I281-Y286 HydrophobicContact CG1-CD2 4.09Å; I281-I288 HydrophobicContact CD1-CD1 4.43Å
282D91.9Very high92.7Very high148 Ų14845 Ų4579%0.79122%0.222SC*.THydrogen-bonded Turntrans47.846.8-178.5-58.9-33.1000113.2I284D282-I284 PolarHBondContact O-N 2.83Å; D282-I284 VanDerWaalsContact O-N 3.13Å
283E91.8Very high92.7Very high184 Ų18444.4 Ų44.486%0.8622%0.22SC*.THydrogen-bonded Turntrans65.56.7-178-50.9-175150.900115.5M280 I281M280-E283 VanDerWaalsContact CE-C 3.46Å; M280-E283 WeakPolarHBondContact CE-O 3.5Å; I281-E283 PolarHBondContact O-N 3.46Å
284I92.2Very high92.9Very high49 Ų4943.7 Ų43.725%0.25122%0.216SC..EExtended strand (participates in β ladder)trans-103.5132.6175.9-57.3172.1000110M280 I281 D282 Y286M280-I284 WeakPolarHBondContact CA-O 3.26Å; I281-I284 PolarHBondContact N-O 3.13Å; I281-I284 WeakPolarHBondContact O-CA 3.5Å; I281-I284 WeakPolarHBondContact O-CB 3.41Å; I281-I284 PolarHBondContact O-N 3.38Å; D282-I284 PolarHBondContact O-N 2.83Å; D282-I284 VanDerWaalsContact O-N 3.13Å; I284-Y286 HydrophobicContact CB-CD2 4.4Å; I284-Y286 HydrophobicContact CB-CE2 3.62Å; I284-Y286 HydrophobicContact CG2-CD2 4.17Å; I284-Y286 HydrophobicContact CG2-CE1 4.33Å; I284-Y286 HydrophobicContact CG2-CE2 3.48Å; I284-Y286 VanDerWaalsContact CG2-CE2 3.48Å; I284-Y286 VanDerWaalsContact O-CD2 3.28Å; I284-Y286 WeakPolarHBondContact O-CD2 3.37Å
285Y92Very high93.1Very high7 Ų744.7 Ų44.73%0.02722%0.221CC..EExtended strand (participates in β ladder)trans-76.9130.9175.9172.7-105.6000112.1D108 K121 S278 M280 Q287 F340 A341D108-Y285 HydrophobicContact CB-CD1 4.06Å; D108-Y285 HydrophobicContact CB-CE1 3.83Å; K121-Y285 WeakPolarHBondContact CE-O 3.31Å; K121-Y285 PolarHBondContact NZ-O 3.28Å; S278-Y285 WeakPolarHBondContact OG-CE2 3.31Å; S278-Y285 PolarHBondContact OG-OH 2.85Å; M280-Y285 HydrophobicContact SD-CD2 4.23Å; Y285-Q287 HydrophobicContact CE1-CG 4.37Å; Y285-Q287 WeakPolarHBondContact OH-CG 3.3Å; Y285-F340 HydrophobicContact CD2-CB 3.91Å; Y285-F340 WeakPolarHBondContact CD2-O 3.29Å; Y285-F340 HydrophobicContact CE2-CB 3.32Å; Y285-F340 HydrophobicContact CE2-CG 4.41Å; Y285-A341 HydrophobicContact CE1-CB 4.42Å
286Y94Very high93.6Very high20 Ų2047.7 Ų47.78%0.07824%0.237CC..EExtended strand (participates in β ladder)trans-133.5160.9174.2-65.9-83.1000111.9D108 L110 K121 Q279 I281 I284D108-Y286 CarbonylContact O-C 3.43Å; D108-Y286 WeakPolarHBondContact O-CA 3.47Å; L110-Y286 HydrophobicContact CB-CD1 3.84Å; L110-Y286 HydrophobicContact CB-CG 4.21Å; L110-Y286 HydrophobicContact CD1-CD1 3.71Å; L110-Y286 HydrophobicContact CD1-CE1 3.67Å; L110-Y286 HydrophobicContact CD1-CG 4.37Å; L110-Y286 HydrophobicContact CG-CD1 4.29Å; K121-Y286 HydrophobicContact CG-CD1 3.76Å; K121-Y286 HydrophobicContact CG-CE1 3.52Å; Q279-Y286 PolarHBondContact N-O 3.42Å; Q279-Y286 PolarHBondContact O-N 3.29Å; I281-Y286 HydrophobicContact CB-CD2 3.95Å; I281-Y286 HydrophobicContact CB-CE2 3.98Å; I281-Y286 HydrophobicContact CD1-CD2 4.08Å; I281-Y286 HydrophobicContact CG1-CD2 4.09Å; I284-Y286 HydrophobicContact CB-CD2 4.4Å; I284-Y286 HydrophobicContact CB-CE2 3.62Å; I284-Y286 HydrophobicContact CG2-CD2 4.17Å; I284-Y286 HydrophobicContact CG2-CE1 4.33Å; I284-Y286 HydrophobicContact CG2-CE2 3.48Å; I284-Y286 VanDerWaalsContact CG2-CE2 3.48Å; I284-Y286 VanDerWaalsContact O-CD2 3.28Å; I284-Y286 WeakPolarHBondContact O-CD2 3.37Å
287Q93.5Very high94Very high1 Ų147.7 Ų47.71%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-106.7119.3162.9-73.2-171.420.300110.5D106 D108 I109 L110 K277 Y285D106-Q287 VanDerWaalsContact CG-CD 3.49Å; D106-Q287 PolarHBondContact OD1-NE2 3.49Å; D106-Q287 PolarHBondContact OD2-NE2 2.57Å; D108-Q287 HydrophobicContact CB-CG 4.47Å; D108-Q287 PolarHBondContact O-N 3.05Å; I109-Q287 WeakPolarHBondContact CA-O 3.36Å; I109-Q287 HydrophobicContact CG1-CB 4.45Å; L110-Q287 PolarHBondContact N-O 2.83Å; K277-Q287 CarbonylContact O-C 3.57Å; K277-Q287 WeakPolarHBondContact O-CA 3.48Å; Y285-Q287 HydrophobicContact CE1-CG 4.37Å; Y285-Q287 WeakPolarHBondContact OH-CG 3.3Å
288I94.8Very high94.4Very high4 Ų441.8 Ų41.82%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-96.4128.3175.6-51.5-50.9000108.9L110 G276 K277 Q279 I281 L324 Y326L110-I288 HydrophobicContact CB-CD1 3.63Å; L110-I288 HydrophobicContact CD2-CD1 3.49Å; L110-I288 VanDerWaalsContact CD2-CD1 3.49Å; L110-I288 HydrophobicContact CG-CD1 4.2Å; G276-I288 CarbonylContact C-O 3.38Å; G276-I288 WeakPolarHBondContact CA-O 3.25Å; K277-I288 PolarHBondContact N-O 3.22Å; K277-I288 PolarHBondContact O-N 3.26Å; Q279-I288 HydrophobicContact CB-CG1 3.76Å; Q279-I288 HydrophobicContact CG-CG1 4.31Å; Q279-I288 VanDerWaalsContact OE1-CG1 3.3Å; I281-I288 HydrophobicContact CD1-CD1 4.43Å; I288-L324 WeakPolarHBondContact CG2-O 3.2Å; I288-Y326 HydrophobicContact CB-CD1 4.45Å; I288-Y326 HydrophobicContact CG2-CD1 4.12Å; I288-Y326 WeakPolarHBondContact O-CD1 3.35Å; I288-Y326 VanDerWaalsContact O-CE1 3.26Å; I288-Y326 WeakPolarHBondContact O-CE1 3.35Å
289L96Very high94.8Very high0 Ų042 Ų420%021%0.211CC..EExtended strand (participates in β ladder)trans-84.9142.6-172.7-63.4177.8000112.6I109 L141 L274 L294 F325 Y326I109-L289 HydrophobicContact CD1-CD1 4.43Å; I109-L289 HydrophobicContact CD1-CD2 4.1Å; I109-L289 HydrophobicContact CG1-CD2 4.06Å; I109-L289 HydrophobicContact CG2-CD1 3.73Å; I109-L289 HydrophobicContact CG2-CD2 4.39Å; I109-L289 HydrophobicContact CG2-CG 3.95Å; L141-L289 HydrophobicContact CD1-CD1 3.82Å; L141-L289 HydrophobicContact CD2-CD1 4.46Å; L274-L289 HydrophobicContact CD1-CD1 4.33Å; L274-L289 HydrophobicContact CD1-CD2 3.84Å; L274-L289 HydrophobicContact CD2-CD1 3.88Å; L274-L289 HydrophobicContact CD2-CD2 4.39Å; L274-L289 HydrophobicContact CG-CD1 4.19Å; L274-L289 HydrophobicContact CG-CD2 3.8Å; L289-L294 HydrophobicContact CD1-CD1 4.35Å; L289-L294 HydrophobicContact CD1-CD2 4.21Å; L289-F325 HydrophobicContact CB-CD1 4.11Å; L289-F325 HydrophobicContact CB-CE1 4.48Å; L289-F325 VanDerWaalsContact O-CA 3.29Å; L289-F325 WeakPolarHBondContact O-CA 3.4Å; L289-Y326 WeakPolarHBondContact O-CD1 3.26Å; L289-Y326 PolarHBondContact O-N 2.95Å
290G95.4Very high95.2Very high0 Ų038.6 Ų38.60%020%0.196CC..EExtended strand (participates in β ladder)trans-73.6135.517100000111.3L294 Y326G290-L294 WeakPolarHBondContact O-CB 3.38Å; G290-L294 PolarHBondContact O-N 3.44Å; G290-Y326 VanDerWaalsContact CA-CE1 3.45Å; G290-Y326 WeakPolarHBondContact CA-O 3.49Å
291T96.1Very high95.4Very high23 Ų2334.1 Ų34.114%0.14117%0.174CC..Hα-helixtrans-64.4-40.7-175.254.20000113.6L295 L313 L316 F325 Y326 D328T291-L295 WeakPolarHBondContact O-CB 3.45Å; T291-L295 PolarHBondContact O-N 3.41Å; T291-L295 VanDerWaalsContact O-N 3.08Å; T291-L313 HydrophobicContact CG2-CD2 3.98Å; T291-L316 HydrophobicContact CG2-CD2 4.01Å; T291-F325 HydrophobicContact CG2-CB 3.66Å; T291-F325 HydrophobicContact CG2-CG 4.49Å; T291-Y326 WeakPolarHBondContact CG2-O 3.48Å; T291-Y326 PolarHBondContact N-O 3.16Å; T291-Y326 PolarHBondContact OG1-O 3.02Å; T291-D328 PolarHBondContact N-OD1 2.67Å
292N95.7Very high95.7Very high73 Ų7332.1 Ų32.139%0.3916%0.163SC..Hα-helixtrans-73.3-41.3178.6-62.6-72.7000111.7L295 D296 D328 S329N292-L295 PolarHBondContact O-N 3.03Å; N292-D296 PolarHBondContact O-N 3.21Å; N292-D328 WeakPolarHBondContact CA-OD1 3.45Å; N292-D328 WeakPolarHBondContact CB-OD1 3.46Å; N292-D328 PolarHBondContact N-OD1 3.49Å; N292-D328 PolarHBondContact ND2-OD1 2.99Å; N292-S329 PolarHBondContact ND2-N 2.97Å; N292-S329 PolarHBondContact ND2-OG 3.03Å; N292-S329 VanDerWaalsContact ND2-OG 3.11Å
293E95.1Very high96Very high25 Ų2531.3 Ų31.312%0.11715%0.153CC..Hα-helixtrans-60.2-49.3174.4175.3134.9-106.300112.1L274 L295 D296 I297 D328 K332L274-E293 HydrophobicContact CD1-CG 4.15Å; E293-L295 VanDerWaalsContact C-N 3.32Å; E293-L295 PolarHBondContact O-N 3.34Å; E293-D296 PolarHBondContact O-N 3.09Å; E293-I297 WeakPolarHBondContact O-CG1 3.33Å; E293-I297 PolarHBondContact O-N 3.2Å; E293-D328 WeakPolarHBondContact CB-OD2 3.28Å; E293-D328 PolarHBondContact N-OD2 3.35Å; E293-K332 IonicContact OE1-NZ 2.67Å; E293-K332 PolarHBondContact OE1-NZ 2.94Å
294L97.4Very high96.2Very high0 Ų022.6 Ų22.60%011%0.112CC..Hα-helixtrans-59.2-46.2176.6-179.355.3000110.4L141 L142 L274 L289 G290 D296 I297 Q298 L313 F325L141-L294 HydrophobicContact CD1-CD1 4.41Å; L141-L294 HydrophobicContact CD1-CD2 4.02Å; L142-L294 HydrophobicContact CD2-CD1 4.24Å; L274-L294 HydrophobicContact CD1-CD1 4.38Å; L274-L294 HydrophobicContact CD2-CD1 3.89Å; L289-L294 HydrophobicContact CD1-CD1 4.35Å; L289-L294 HydrophobicContact CD1-CD2 4.21Å; G290-L294 WeakPolarHBondContact O-CB 3.38Å; G290-L294 PolarHBondContact O-N 3.44Å; L294-D296 VanDerWaalsContact C-N 3.34Å; L294-D296 PolarHBondContact O-N 3.33Å; L294-I297 WeakPolarHBondContact O-CB 3.45Å; L294-I297 PolarHBondContact O-N 2.8Å; L294-I297 VanDerWaalsContact O-N 3.12Å; L294-Q298 HydrophobicContact CD1-CG 4.16Å; L294-Q298 HydrophobicContact CG-CG 4.31Å; L294-Q298 VanDerWaalsContact O-CG 3.3Å; L294-Q298 WeakPolarHBondContact O-CG 3.47Å; L294-Q298 PolarHBondContact O-N 2.95Å; L294-L313 HydrophobicContact CB-CD1 4.17Å; L294-L313 HydrophobicContact CD2-CD1 3.79Å; L294-L313 HydrophobicContact CD2-CD2 4.07Å; L294-L313 HydrophobicContact CG-CD1 3.71Å; L294-F325 HydrophobicContact CD2-CD1 4.04Å; L294-F325 HydrophobicContact CD2-CE1 3.47Å; L294-F325 VanDerWaalsContact CD2-CE1 3.47Å; L294-F325 HydrophobicContact CD2-CZ 4.17Å
295L97.8Very high96.5Very high21 Ų2120.7 Ų20.711%0.1110%0.103CC..Hα-helixtrans-59.5-39.1177.1-178.560.7000113.1T291 N292 E293 Q298 N299 A310 L313T291-L295 WeakPolarHBondContact O-CB 3.45Å; T291-L295 PolarHBondContact O-N 3.41Å; T291-L295 VanDerWaalsContact O-N 3.08Å; N292-L295 PolarHBondContact O-N 3.03Å; E293-L295 VanDerWaalsContact C-N 3.32Å; E293-L295 PolarHBondContact O-N 3.34Å; L295-Q298 PolarHBondContact O-N 2.8Å; L295-N299 VanDerWaalsContact O-CB 3.29Å; L295-N299 WeakPolarHBondContact O-CB 3.39Å; L295-N299 PolarHBondContact O-N 3.26Å; L295-N299 PolarHBondContact O-ND2 2.78Å; L295-A310 HydrophobicContact CD1-CB 4.24Å; L295-L313 HydrophobicContact CB-CD1 4.43Å
296D97.4Very high96.6Very high69 Ų6924.8 Ų24.837%0.36913%0.125SC..Hα-helixtrans-63.7-41.2174.1177.364.1000112K272 N292 E293 L294 T300K272-D296 IonicContact NZ-OD2 2.72Å; K272-D296 PolarHBondContact NZ-OD2 2.87Å; N292-D296 PolarHBondContact O-N 3.21Å; E293-D296 PolarHBondContact O-N 3.09Å; L294-D296 VanDerWaalsContact C-N 3.34Å; L294-D296 PolarHBondContact O-N 3.33Å; D296-T300 VanDerWaalsContact O-CB 3.23Å; D296-T300 WeakPolarHBondContact O-CB 3.39Å; D296-T300 PolarHBondContact O-N 3.11Å; D296-T300 PolarHBondContact O-OG1 3.13Å
297I98.1Very high96.7Very high1 Ų126.2 Ų26.21%0.00513%0.134CC..Hα-helixtrans-63.1-51.5174.7-66.4-57.5000110.5V103 L142 K272 L274 E293 L294 N299 T300 L301V103-I297 HydrophobicContact CG1-CD1 4.46Å; V103-I297 HydrophobicContact CG1-CG2 3.94Å; V103-I297 HydrophobicContact CG2-CG2 4.24Å; L142-I297 HydrophobicContact CD2-CG2 4.04Å; K272-I297 HydrophobicContact CB-CD1 3.95Å; K272-I297 HydrophobicContact CD-CD1 3.61Å; K272-I297 HydrophobicContact CG-CD1 4.14Å; L274-I297 HydrophobicContact CD1-CG1 4.1Å; E293-I297 WeakPolarHBondContact O-CG1 3.33Å; E293-I297 PolarHBondContact O-N 3.2Å; L294-I297 WeakPolarHBondContact O-CB 3.45Å; L294-I297 PolarHBondContact O-N 2.8Å; L294-I297 VanDerWaalsContact O-N 3.12Å; I297-N299 VanDerWaalsContact C-N 3.34Å; I297-N299 PolarHBondContact O-N 3.28Å; I297-T300 WeakPolarHBondContact O-CB 3.49Å; I297-T300 PolarHBondContact O-N 2.93Å; I297-T300 VanDerWaalsContact O-N 3.16Å; I297-L301 HydrophobicContact CG2-CD1 3.87Å; I297-L301 HydrophobicContact CG2-CG 4.45Å; I297-L301 WeakPolarHBondContact O-CG 3.34Å; I297-L301 PolarHBondContact O-N 3.21Å
298Q98.4Very high96.8Very high0 Ų031.5 Ų31.50%017%0.168CC..Hα-helixtrans-55.8-49.7178.5-65.8-169.8-15.900110.9L141 L142 D143 L294 L295 T300 L301 K302 N315L141-Q298 PolarHBondContact O-NE2 2.81Å; L142-Q298 VanDerWaalsContact O-CG 3.24Å; L142-Q298 WeakPolarHBondContact O-CG 3.47Å; D143-Q298 HydrophobicContact CB-CG 4.4Å; L294-Q298 HydrophobicContact CD1-CG 4.16Å; L294-Q298 HydrophobicContact CG-CG 4.31Å; L294-Q298 VanDerWaalsContact O-CG 3.3Å; L294-Q298 WeakPolarHBondContact O-CG 3.47Å; L294-Q298 PolarHBondContact O-N 2.95Å; L295-Q298 PolarHBondContact O-N 2.8Å; Q298-T300 VanDerWaalsContact C-N 3.34Å; Q298-T300 PolarHBondContact O-N 3.38Å; Q298-L301 PolarHBondContact O-N 2.91Å; Q298-K302 WeakPolarHBondContact O-CB 3.06Å; Q298-K302 VanDerWaalsContact O-CG 3.25Å; Q298-K302 WeakPolarHBondContact O-CG 3.2Å; Q298-K302 PolarHBondContact O-N 2.88Å; Q298-N315 PolarHBondContact NE2-OD1 3.25Å
299N98.5Very high96.9Very high23 Ų2334.8 Ų34.812%0.12319%0.188CC..Hα-helixtrans-68.6-31.7-179.8-76.7-24.3000112.9L295 I297 K303 T309 A310L295-N299 VanDerWaalsContact O-CB 3.29Å; L295-N299 WeakPolarHBondContact O-CB 3.39Å; L295-N299 PolarHBondContact O-N 3.26Å; L295-N299 PolarHBondContact O-ND2 2.78Å; I297-N299 VanDerWaalsContact C-N 3.34Å; I297-N299 PolarHBondContact O-N 3.28Å; N299-K303 WeakPolarHBondContact O-CB 3.27Å; N299-K303 WeakPolarHBondContact O-CG 3.44Å; N299-K303 PolarHBondContact O-N 3.25Å; N299-T309 HydrophobicContact CB-CG2 4Å; N299-T309 WeakPolarHBondContact OD1-CA 3.37Å; N299-T309 WeakPolarHBondContact OD1-CB 3.45Å; N299-A310 PolarHBondContact ND2-O 3.49Å; N299-A310 PolarHBondContact OD1-N 2.97Å
300T98.2Very high97Very high15 Ų1536 Ų369%0.09220%0.198CC..Hα-helixtrans-63.3-46.7172.1-67.30000110.7T101 K272 D296 I297 Q298 Q304T101-T300 HydrophobicContact CG2-CG2 4.08Å; K272-T300 HydrophobicContact CD-CG2 4.07Å; D296-T300 VanDerWaalsContact O-CB 3.23Å; D296-T300 WeakPolarHBondContact O-CB 3.39Å; D296-T300 PolarHBondContact O-N 3.11Å; D296-T300 PolarHBondContact O-OG1 3.13Å; I297-T300 WeakPolarHBondContact O-CB 3.49Å; I297-T300 PolarHBondContact O-N 2.93Å; I297-T300 VanDerWaalsContact O-N 3.16Å; Q298-T300 VanDerWaalsContact C-N 3.34Å; Q298-T300 PolarHBondContact O-N 3.38Å; T300-Q304 PolarHBondContact O-N 3.1Å
301L98.5Very high97Very high0 Ų041.5 Ų41.50%024%0.237CC..Hα-helixtrans-67.3-45.2179.7-67.8170.6000111.6V90 T92 T101 V103 L142 I144 I297 Q298 K303 Q304 L305V90-L301 HydrophobicContact CG1-CD2 4.4Å; T92-L301 HydrophobicContact CG2-CB 4.31Å; T92-L301 HydrophobicContact CG2-CD2 3.61Å; T101-L301 HydrophobicContact CG2-CD2 4.49Å; V103-L301 HydrophobicContact CG2-CD1 4.26Å; V103-L301 HydrophobicContact CG2-CD2 3.74Å; V103-L301 HydrophobicContact CG2-CG 4.16Å; L142-L301 HydrophobicContact CB-CD1 4.28Å; L142-L301 HydrophobicContact CD1-CD1 3.9Å; L142-L301 HydrophobicContact CD2-CD1 4.41Å; L142-L301 HydrophobicContact CG-CD1 4.45Å; I144-L301 HydrophobicContact CD1-CB 4.09Å; I144-L301 HydrophobicContact CD1-CD1 3.99Å; I144-L301 HydrophobicContact CD1-CG 4.48Å; I144-L301 HydrophobicContact CG1-CD1 4.34Å; I144-L301 HydrophobicContact CG2-CB 3.99Å; I297-L301 HydrophobicContact CG2-CD1 3.87Å; I297-L301 HydrophobicContact CG2-CG 4.45Å; I297-L301 WeakPolarHBondContact O-CG 3.34Å; I297-L301 PolarHBondContact O-N 3.21Å; Q298-L301 PolarHBondContact O-N 2.91Å; L301-K303 PolarHBondContact O-N 2.88Å; L301-Q304 WeakPolarHBondContact O-CA 3.15Å; L301-Q304 WeakPolarHBondContact O-CB 3.22Å; L301-Q304 PolarHBondContact O-N 3.09Å; L301-L305 WeakPolarHBondContact O-CG 3.47Å; L301-L305 PolarHBondContact O-N 2.91Å
302K97.9Very high97Very high12 Ų1244.7 Ų44.75%0.05226%0.256CS..Hα-helixtrans-57.7-47.4176.3-74.8169.9170.8-1740112.7D143 I144 Q298 Q304 L305 D306 L307 P308 T309D143-K302 WeakPolarHBondContact O-CE 3.45Å; D143-K302 VanDerWaalsContact OD2-CE 3.26Å; D143-K302 WeakPolarHBondContact OD2-CE 3.22Å; D143-K302 IonicContact OD2-NZ 2.62Å; D143-K302 PolarHBondContact OD2-NZ 3.49Å; I144-K302 HydrophobicContact CG2-CB 4.48Å; I144-K302 HydrophobicContact CG2-CG 3.51Å; Q298-K302 WeakPolarHBondContact O-CB 3.06Å; Q298-K302 VanDerWaalsContact O-CG 3.25Å; Q298-K302 WeakPolarHBondContact O-CG 3.2Å; Q298-K302 PolarHBondContact O-N 2.88Å; K302-Q304 PolarHBondContact O-N 2.99Å; K302-L305 CarbonylContact O-C 3.41Å; K302-L305 WeakPolarHBondContact O-CA 2.91Å; K302-L305 PolarHBondContact O-N 3.16Å; K302-D306 PolarHBondContact O-N 2.78Å; K302-D306 VanDerWaalsContact O-N 3.1Å; K302-L307 HydrophobicContact CB-CB 4.03Å; K302-L307 HydrophobicContact CG-CB 4.23Å; K302-L307 PolarHBondContact O-N 2.84Å; K302-P308 WeakPolarHBondContact CD-O 3.3Å; K302-T309 HydrophobicContact CB-CG2 4.37Å
303K97.5Very high97Very high130 Ų13041.6 Ų41.657%0.56524%0.24SC*.Hα-helixtrans-59.8-35.2175.2-73.6172.3-171.3176.90112.2Q97 N299 L301 L305 D306 T309Q97-K303 PolarHBondContact NE2-O 3.46Å; N299-K303 WeakPolarHBondContact O-CB 3.27Å; N299-K303 WeakPolarHBondContact O-CG 3.44Å; N299-K303 PolarHBondContact O-N 3.25Å; L301-K303 PolarHBondContact O-N 2.88Å; K303-L305 VanDerWaalsContact C-N 3.29Å; K303-D306 PolarHBondContact O-N 3.25Å; K303-T309 HydrophobicContact CD-CG2 4.34Å; K303-T309 HydrophobicContact CG-CG2 3.7Å
304Q96.9Very high97Very high1 Ų141.7 Ų41.71%0.00524%0.242CC..Hα-helixtrans-69.6-30.4176.3-159.367.546.700111.4T92 N94 K99 T101 T300 L301 K302T92-Q304 WeakPolarHBondContact OG1-CG 3.39Å; N94-Q304 HydrophobicContact CB-CG 4.28Å; N94-Q304 VanDerWaalsContact CB-NE2 3.3Å; N94-Q304 VanDerWaalsContact CB-O 3.3Å; N94-Q304 WeakPolarHBondContact CB-O 3.32Å; N94-Q304 PolarHBondContact ND2-O 2.84Å; K99-Q304 VanDerWaalsContact NZ-OE1 3.1Å; K99-Q304 PolarHBondContact O-NE2 2.95Å; T101-Q304 PolarHBondContact OG1-OE1 3Å; T300-Q304 PolarHBondContact O-N 3.1Å; L301-Q304 WeakPolarHBondContact O-CA 3.15Å; L301-Q304 WeakPolarHBondContact O-CB 3.22Å; L301-Q304 PolarHBondContact O-N 3.09Å; K302-Q304 PolarHBondContact O-N 2.99Å
305L96.6Very high96.9Very high10 Ų1042.2 Ų42.25%0.05225%0.245CC..THydrogen-bonded Turntrans-918.4178-66.3173.5000114.2P64 F65 T92 I144 L301 K302 K303 L307P64-L305 HydrophobicContact CB-CD2 4.38Å; F65-L305 VanDerWaalsContact C-CD2 3.44Å; F65-L305 WeakPolarHBondContact O-CD2 3.4Å; T92-L305 HydrophobicContact CG2-CD1 3.86Å; T92-L305 HydrophobicContact CG2-CD2 3.92Å; T92-L305 HydrophobicContact CG2-CG 3.72Å; I144-L305 HydrophobicContact CB-CD1 3.98Å; I144-L305 HydrophobicContact CD1-CD1 4Å; I144-L305 HydrophobicContact CG2-CD1 4.15Å; L301-L305 WeakPolarHBondContact O-CG 3.47Å; L301-L305 PolarHBondContact O-N 2.91Å; K302-L305 CarbonylContact O-C 3.41Å; K302-L305 WeakPolarHBondContact O-CA 2.91Å; K302-L305 PolarHBondContact O-N 3.16Å; K303-L305 VanDerWaalsContact C-N 3.29Å; L305-L307 HydrophobicContact CB-CD1 3.79Å; L305-L307 HydrophobicContact CB-CG 3.81Å; L305-L307 HydrophobicContact CD1-CD1 4Å; L305-L307 PolarHBondContact O-N 3.46Å
306D95.3Very high96.6Very high93 Ų9345.3 Ų45.350%0.49726%0.261SS..THydrogen-bonded Turntrans54.632.1-173.3-59.8-25.2000113.4P64 N94 Q97 K302 K303P64-D306 WeakPolarHBondContact CG-OD2 3.5Å; N94-D306 PolarHBondContact ND2-OD1 3.45Å; Q97-D306 PolarHBondContact NE2-OD1 3.43Å; K302-D306 PolarHBondContact O-N 2.78Å; K302-D306 VanDerWaalsContact O-N 3.1Å; K303-D306 PolarHBondContact O-N 3.25Å
307L95.5Very high96.3Very high50 Ų5050.7 Ų50.726%0.26228%0.281SS..PPolyproline II helixtrans-97.3152.4178.8-64.4175.9000112.3P145 K302 L305 T309P145-L307 VanDerWaalsContact CD-CD1 3.46Å; P145-L307 HydrophobicContact CG-CD1 3.95Å; K302-L307 HydrophobicContact CB-CB 4.03Å; K302-L307 HydrophobicContact CG-CB 4.23Å; K302-L307 PolarHBondContact O-N 2.84Å; L305-L307 HydrophobicContact CB-CD1 3.79Å; L305-L307 HydrophobicContact CB-CG 3.81Å; L305-L307 HydrophobicContact CD1-CD1 4Å; L305-L307 PolarHBondContact O-N 3.46Å; L307-T309 PolarHBondContact O-N 3.07Å
308P95.7Very high95.9Very high112 Ų11254.1 Ų54.173%0.72730%0.298SS*.PPolyproline II helixtrans-64.7133.217627.1-34.6000111.7K302K302-P308 WeakPolarHBondContact CD-O 3.3Å
309T97.7Very high95.4Very high73 Ų7363.9 Ų63.945%0.44834%0.343SS..PPolyproline II helixtrans-82.6158.3176.653.60000112.2N299 K302 K303 L307N299-T309 HydrophobicContact CB-CG2 4Å; N299-T309 WeakPolarHBondContact OD1-CA 3.37Å; N299-T309 WeakPolarHBondContact OD1-CB 3.45Å; K302-T309 HydrophobicContact CB-CG2 4.37Å; K303-T309 HydrophobicContact CD-CG2 4.34Å; K303-T309 HydrophobicContact CG-CG2 3.7Å; L307-T309 PolarHBondContact O-N 3.07Å
310A96.8Very high95Very high25 Ų2564.7 Ų64.721%0.20735%0.347CS..PPolyproline II helixtrans-103.5149174.300000111.4L295 N299 T312 P314L295-A310 HydrophobicContact CD1-CB 4.24Å; N299-A310 PolarHBondContact ND2-O 3.49Å; N299-A310 PolarHBondContact OD1-N 2.97Å; A310-T312 VanDerWaalsContact CB-O 3.31Å; A310-T312 WeakPolarHBondContact CB-O 3.24Å; A310-P314 HydrophobicContact CB-CG 3.93Å
311S96.4Very high94.6Very high115 Ų11564.1 Ų64.180%0.80435%0.345SS*.SBendtrans-85.3-23.7172.951.60000113
312T95.1Very high94.2Very high91 Ų9171.6 Ų71.656%0.55838%0.384SS*.SBendtrans-129.9156.6175.858.20000109.7A310 P314A310-T312 VanDerWaalsContact CB-O 3.31Å; A310-T312 WeakPolarHBondContact CB-O 3.24Å; T312-P314 WeakPolarHBondContact O-CD 3.25Å
313L95.6Very high93.8Very high7 Ų774.8 Ų74.84%0.03741%0.408CS..  trans-64.2116.1179-178.866.6000110.4T291 L294 L295 N315 L316 F325T291-L313 HydrophobicContact CG2-CD2 3.98Å; L294-L313 HydrophobicContact CB-CD1 4.17Å; L294-L313 HydrophobicContact CD2-CD1 3.79Å; L294-L313 HydrophobicContact CD2-CD2 4.07Å; L294-L313 HydrophobicContact CG-CD1 3.71Å; L295-L313 HydrophobicContact CB-CD1 4.43Å; L313-N315 HydrophobicContact CD1-CB 4.45Å; L313-N315 HydrophobicContact CD2-CB 4.29Å; L313-N315 HydrophobicContact CG-CB 4.07Å; L313-N315 PolarHBondContact O-N 3.31Å; L313-L316 HydrophobicContact CB-CD1 4.09Å; L313-L316 HydrophobicContact CB-CG 4.03Å; L313-L316 HydrophobicContact CD2-CD2 4.33Å; L313-L316 HydrophobicContact CD2-CG 4.13Å; L313-L316 HydrophobicContact CG-CG 4.32Å; L313-L316 WeakPolarHBondContact O-CB 3.39Å; L313-L316 PolarHBondContact O-N 3.02Å; L313-F325 HydrophobicContact CD2-CD1 4.4Å; L313-F325 HydrophobicContact CD2-CD2 4.43Å; L313-F325 HydrophobicContact CD2-CG 4.3Å
314P95.2Very high93.6Very high27 Ų2768.8 Ų68.818%0.17538%0.383CS..G310 helixtrans-62.7-29.6-178-26.439.3000113.6D143 A310 T312 L316 K317D143-P314 WeakPolarHBondContact OD2-CG 3.4Å; A310-P314 HydrophobicContact CB-CG 3.93Å; T312-P314 WeakPolarHBondContact O-CD 3.25Å; P314-L316 PolarHBondContact O-N 3Å; P314-K317 WeakPolarHBondContact O-CB 3.49Å; P314-K317 WeakPolarHBondContact O-CG 3.4Å; P314-K317 PolarHBondContact O-N 3.07Å
315N95.1Very high93.5Very high11 Ų1169.6 Ų69.66%0.05939%0.386CS..G310 helixtrans-64.5-18.6179.9-56.871.9000113.4T140 Q298 L313 K317 E318 F325T140-N315 PolarHBondContact O-ND2 3.44Å; Q298-N315 PolarHBondContact NE2-OD1 3.25Å; L313-N315 HydrophobicContact CD1-CB 4.45Å; L313-N315 HydrophobicContact CD2-CB 4.29Å; L313-N315 HydrophobicContact CG-CB 4.07Å; L313-N315 PolarHBondContact O-N 3.31Å; N315-K317 PolarHBondContact O-N 3.23Å; N315-K317 VanDerWaalsContact O-N 3.1Å; N315-E318 WeakPolarHBondContact O-CB 3.49Å; N315-E318 WeakPolarHBondContact O-CG 3.47Å; N315-E318 PolarHBondContact O-N 2.9Å; N315-E318 VanDerWaalsContact O-N 3.13Å; N315-F325 HydrophobicContact CB-CE2 3.64Å; N315-F325 HydrophobicContact CB-CZ 3.68Å
316L93.3Very high93.4Very high86 Ų8671.5 Ų71.545%0.4539%0.393SS..G310 helixtrans-67.1-6.8174.8-64.5177.9000113.7T291 L313 P314 E318 A321 F325T291-L316 HydrophobicContact CG2-CD2 4.01Å; L313-L316 HydrophobicContact CB-CD1 4.09Å; L313-L316 HydrophobicContact CB-CG 4.03Å; L313-L316 HydrophobicContact CD2-CD2 4.33Å; L313-L316 HydrophobicContact CD2-CG 4.13Å; L313-L316 HydrophobicContact CG-CG 4.32Å; L313-L316 WeakPolarHBondContact O-CB 3.39Å; L313-L316 PolarHBondContact O-N 3.02Å; P314-L316 PolarHBondContact O-N 3Å; L316-E318 VanDerWaalsContact C-N 3.33Å; L316-A321 HydrophobicContact CD2-CB 4.21Å; L316-F325 HydrophobicContact CD2-CD2 4.34Å
317K90.7Very high93.2Very high182 Ų18272 Ų7279%0.79140%0.396SS*.G310 helixtrans-81.7-13.4174.1-62.6176.9-177.5177.10113P314 N315P314-K317 WeakPolarHBondContact O-CB 3.49Å; P314-K317 WeakPolarHBondContact O-CG 3.4Å; P314-K317 PolarHBondContact O-N 3.07Å; N315-K317 PolarHBondContact O-N 3.23Å; N315-K317 VanDerWaalsContact O-N 3.1Å
318E88.6Confident93.1Very high74 Ų7470 Ų7035%0.34639%0.385SS..SBendtrans-74.1146.2177.2-59.8-66.3143.300110.4K112 N315 L316 D320 A321K112-E318 IonicContact NZ-OE2 3.06Å; K112-E318 PolarHBondContact NZ-OE2 2.76Å; N315-E318 WeakPolarHBondContact O-CB 3.49Å; N315-E318 WeakPolarHBondContact O-CG 3.47Å; N315-E318 PolarHBondContact O-N 2.9Å; N315-E318 VanDerWaalsContact O-N 3.13Å; L316-E318 VanDerWaalsContact C-N 3.33Å; E318-D320 WeakPolarHBondContact CB-OD1 3.48Å; E318-D320 PolarHBondContact O-N 3.36Å; E318-A321 WeakPolarHBondContact O-CB 3.39Å; E318-A321 PolarHBondContact O-N 3.01Å
319Q88.3Confident92.8Very high204 Ų20468.9 Ų68.995%0.95338%0.38SS*.THydrogen-bonded Turntrans-64-26.4-173.9-174.9179.8-20.900113.4
320D89.4Confident92.2Very high40 Ų4072.7 Ų72.721%0.21440%0.397CS..THydrogen-bonded Turntrans-103.710.5-175.958-21.3000113.3N119 E318 D322 S323N119-D320 PolarHBondContact ND2-OD2 2.97Å; N119-D320 PolarHBondContact OD1-OD2 3.14Å; N119-D320 VanDerWaalsContact OD1-OD2 3.09Å; E318-D320 WeakPolarHBondContact CB-OD1 3.48Å; E318-D320 PolarHBondContact O-N 3.36Å; D320-D322 VanDerWaalsContact C-N 3.25Å; D320-D322 PolarHBondContact O-N 2.85Å; D320-D322 VanDerWaalsContact O-N 3.17Å; D320-S323 PolarHBondContact O-N 3.12Å
321A90.9Very high91.3Very high4 Ų473.2 Ų73.23%0.03341%0.406CS..Hα-helixtrans-54-38.5-175.800000113.8L316 E318 S323 L324 F325L316-A321 HydrophobicContact CD2-CB 4.21Å; E318-A321 WeakPolarHBondContact O-CB 3.39Å; E318-A321 PolarHBondContact O-N 3.01Å; A321-S323 PolarHBondContact O-N 3.39Å; A321-S323 VanDerWaalsContact O-N 3.15Å; A321-L324 PolarHBondContact O-N 2.9Å; A321-F325 HydrophobicContact CB-CD2 4.26Å; A321-F325 WeakPolarHBondContact O-CD2 3.23Å; A321-F325 PolarHBondContact O-N 3.47Å; A321-F325 VanDerWaalsContact O-N 3.13Å
322D88.9Confident90.3Very high156 Ų15673.2 Ų73.283%0.83439%0.391SS*.Hα-helixtrans-62.6-20.6179.8-66.9-16.4000113.4D320D320-D322 VanDerWaalsContact C-N 3.25Å; D320-D322 PolarHBondContact O-N 2.85Å; D320-D322 VanDerWaalsContact O-N 3.17Å
323S89.6Confident89Confident80 Ų8069.8 Ų69.856%0.55937%0.372SS*.Hα-helixtrans-94.6-14.1176.6-58.60000113.3D320 A321D320-S323 PolarHBondContact O-N 3.12Å; A321-S323 PolarHBondContact O-N 3.39Å; A321-S323 VanDerWaalsContact O-N 3.15Å
324L93.8Very high87.3Confident4 Ų473.2 Ų73.22%0.02140%0.397CS..Hα-helixtrans-102.9-22.3-173.8-66.3-179.2000113.4L110 K112 N119 I288 A321L110-L324 HydrophobicContact CD2-CD2 4.01Å; L110-L324 HydrophobicContact CG-CD2 3.73Å; K112-L324 HydrophobicContact CB-CD1 4.31Å; N119-L324 HydrophobicContact CB-CD2 4.03Å; I288-L324 WeakPolarHBondContact CG2-O 3.2Å; A321-L324 PolarHBondContact O-N 2.9Å
325F95.1Very high85.4Confident17 Ų1778 Ų788%0.07542%0.416CS..EExtended strand (participates in β ladder)trans-135.3154.5-172.9-49.7-68.5000111.8L141 L289 T291 L294 L313 N315 L316 A321L141-F325 HydrophobicContact CD1-CE1 4.4Å; L289-F325 HydrophobicContact CB-CD1 4.11Å; L289-F325 HydrophobicContact CB-CE1 4.48Å; L289-F325 VanDerWaalsContact O-CA 3.29Å; L289-F325 WeakPolarHBondContact O-CA 3.4Å; T291-F325 HydrophobicContact CG2-CB 3.66Å; T291-F325 HydrophobicContact CG2-CG 4.49Å; L294-F325 HydrophobicContact CD2-CD1 4.04Å; L294-F325 HydrophobicContact CD2-CE1 3.47Å; L294-F325 VanDerWaalsContact CD2-CE1 3.47Å; L294-F325 HydrophobicContact CD2-CZ 4.17Å; L313-F325 HydrophobicContact CD2-CD1 4.4Å; L313-F325 HydrophobicContact CD2-CD2 4.43Å; L313-F325 HydrophobicContact CD2-CG 4.3Å; N315-F325 HydrophobicContact CB-CE2 3.64Å; N315-F325 HydrophobicContact CB-CZ 3.68Å; L316-F325 HydrophobicContact CD2-CD2 4.34Å; A321-F325 HydrophobicContact CB-CD2 4.26Å; A321-F325 WeakPolarHBondContact O-CD2 3.23Å; A321-F325 PolarHBondContact O-N 3.47Å; A321-F325 VanDerWaalsContact O-N 3.13Å
326Y93.6Very high83.3Confident50 Ų5081.4 Ų81.420%0.19644%0.435CS..EExtended strand (participates in β ladder)trans-124155171.678.7-84.6000111.2K277 I288 L289 G290 T291 D328 A333K277-Y326 HydrophobicContact CB-CD1 4.38Å; K277-Y326 HydrophobicContact CB-CE1 3.85Å; I288-Y326 HydrophobicContact CB-CD1 4.45Å; I288-Y326 HydrophobicContact CG2-CD1 4.12Å; I288-Y326 WeakPolarHBondContact O-CD1 3.35Å; I288-Y326 VanDerWaalsContact O-CE1 3.26Å; I288-Y326 WeakPolarHBondContact O-CE1 3.35Å; L289-Y326 WeakPolarHBondContact O-CD1 3.26Å; L289-Y326 PolarHBondContact O-N 2.95Å; G290-Y326 VanDerWaalsContact CA-CE1 3.45Å; G290-Y326 WeakPolarHBondContact CA-O 3.49Å; T291-Y326 WeakPolarHBondContact CG2-O 3.48Å; T291-Y326 PolarHBondContact N-O 3.16Å; T291-Y326 PolarHBondContact OG1-O 3.02Å; Y326-D328 HydrophobicContact CD2-CB 4.28Å; Y326-D328 HydrophobicContact CE2-CB 3.52Å; Y326-D328 PolarHBondContact O-N 2.79Å; Y326-A333 PolarHBondContact OH-N 2.72Å
327D92.6Very high81.2Confident105 Ų10577.5 Ų77.556%0.56141%0.414SS*.  trans-76.1113.2172.8-175.15.1000109.9S329D327-S329 WeakPolarHBondContact OD1-CB 3.35Å; D327-S329 PolarHBondContact OD1-N 2.79Å; D327-S329 PolarHBondContact OD1-OG 2.85Å
328D93Very high79.1Confident8 Ų871.5 Ų71.54%0.04340%0.396CS..  trans-10321.8179.963.5-26.7000112.3T291 N292 E293 Y326 D330 G331T291-D328 PolarHBondContact N-OD1 2.67Å; N292-D328 WeakPolarHBondContact CA-OD1 3.45Å; N292-D328 WeakPolarHBondContact CB-OD1 3.46Å; N292-D328 PolarHBondContact N-OD1 3.49Å; N292-D328 PolarHBondContact ND2-OD1 2.99Å; E293-D328 WeakPolarHBondContact CB-OD2 3.28Å; E293-D328 PolarHBondContact N-OD2 3.35Å; Y326-D328 HydrophobicContact CD2-CB 4.28Å; Y326-D328 HydrophobicContact CE2-CB 3.52Å; Y326-D328 PolarHBondContact O-N 2.79Å; D328-D330 PolarHBondContact O-N 2.87Å; D328-G331 WeakPolarHBondContact CA-O 3.48Å; D328-G331 WeakPolarHBondContact CB-O 3.26Å; D328-G331 CarbonylContact O-C 3.48Å; D328-G331 PolarHBondContact O-N 2.8Å
329S89.8Confident76.7Confident87 Ų8773.3 Ų73.361%0.60840%0.404SS*.THydrogen-bonded Turntrans-64.5-24.7177.9-61.40000113.4N292 D327N292-S329 PolarHBondContact ND2-N 2.97Å; N292-S329 PolarHBondContact ND2-OG 3.03Å; N292-S329 VanDerWaalsContact ND2-OG 3.11Å; D327-S329 WeakPolarHBondContact OD1-CB 3.35Å; D327-S329 PolarHBondContact OD1-N 2.79Å; D327-S329 PolarHBondContact OD1-OG 2.85Å
330D84.5Confident74.5Confident153 Ų15365.9 Ų65.982%0.81837%0.369SS*.THydrogen-bonded Turntrans-90.6-12.3176.367.1-16.6000113.5D328D328-D330 PolarHBondContact O-N 2.87Å
331G78.7Confident72.2Confident37 Ų3765.3 Ų65.338%0.38137%0.369SS..  trans161.4150.9179.700000112.9D328D328-G331 WeakPolarHBondContact CA-O 3.48Å; D328-G331 WeakPolarHBondContact CB-O 3.26Å; D328-G331 CarbonylContact O-C 3.48Å; D328-G331 PolarHBondContact O-N 2.8Å
332K75.3Confident69.7Low115 Ų11567 Ų6750%0.538%0.38SS..PPolyproline II helixtrans-84.5158.4176.7-64.5-177.3163.5-152.70111.7E293E293-K332 IonicContact OE1-NZ 2.67Å; E293-K332 PolarHBondContact OE1-NZ 2.94Å
333A67.6Low67.1Low18 Ų1861.2 Ų61.215%0.14936%0.357CS..PPolyproline II helixtrans-55.7142.3168.600000110.1G276 K277 Y326 E335G276-A333 VanDerWaalsContact C-CB 3.47Å; K277-A333 HydrophobicContact CB-CB 4.29Å; Y326-A333 PolarHBondContact OH-N 2.72Å; A333-E335 PolarHBondContact O-N 2.74Å
334S60.5Low64.3Low80 Ų8060.1 Ų60.156%0.55934%0.341SS*.PPolyproline II helixtrans-64.7135.1171.8-175.10000109.4D336S334-D336 PolarHBondContact O-N 3.22Å; S334-D336 WeakPolarHBondContact OG-CB 3.19Å; S334-D336 PolarHBondContact OG-N 2.62Å
335E54.9Low61.4Low126 Ų12662.7 Ų62.759%0.58936%0.355SS*.SBendtrans-63.9-12.8163.8-79.8-173.8-171.300111.5V209 A333 T337V209-E335 WeakPolarHBondContact CB-O 3.39Å; V209-E335 HydrophobicContact CG1-CB 4.14Å; V209-E335 WeakPolarHBondContact CG2-O 3.44Å; A333-E335 PolarHBondContact O-N 2.74Å; E335-T337 PolarHBondContact O-N 2.72Å
336D50.7Low58.3Low84 Ų8466.2 Ų66.245%0.44937%0.374SS..  trans-85.694.7171.2-171.90.8000111.2S334 S338S334-D336 PolarHBondContact O-N 3.22Å; S334-D336 WeakPolarHBondContact OG-CB 3.19Å; S334-D336 PolarHBondContact OG-N 2.62Å; D336-S338 WeakPolarHBondContact OD1-CB 3.16Å; D336-S338 PolarHBondContact OD1-N 3.17Å; D336-S338 VanDerWaalsContact OD1-N 3.1Å; D336-S338 PolarHBondContact OD1-OG 3.27Å
337T49.6Very low55.3Low3 Ų368.1 Ų68.12%0.01839%0.393CS..  trans-97.48.1173.756.60000113V275 E335 Q339 F340V275-T337 HydrophobicContact CG1-CG2 3.82Å; E335-T337 PolarHBondContact O-N 2.72Å; T337-Q339 PolarHBondContact O-N 2.98Å; T337-F340 PolarHBondContact O-N 2.96Å; T337-F340 VanDerWaalsContact O-N 3.09Å
338S45.6Very low52.1Low57 Ų5769.9 Ų69.940%0.39940%0.402SS..THydrogen-bonded Turntrans-56.2-26.9-171.163.40000114.3D336D336-S338 WeakPolarHBondContact OD1-CB 3.16Å; D336-S338 PolarHBondContact OD1-N 3.17Å; D336-S338 VanDerWaalsContact OD1-N 3.1Å; D336-S338 PolarHBondContact OD1-OG 3.27Å
339Q38.8Very low49.1Very low111 Ų11175.7 Ų75.752%0.51943%0.433SS..THydrogen-bonded Turntrans-78.9-15.6-177.3-63.1-165.1-17.300114.8T337T337-Q339 PolarHBondContact O-N 2.98Å
340F42.4Very low46.4Very low49 Ų4976.5 Ų76.522%0.21542%0.424CS..THydrogen-bonded Turntrans-123.3-13.2-164.2-56.5-76.9000115.8S278 Y285 T337 P342 D392S278-F340 WeakPolarHBondContact OG-CB 3.35Å; S278-F340 WeakPolarHBondContact OG-CD2 3.39Å; S278-F340 WeakPolarHBondContact OG-CG 3.29Å; Y285-F340 HydrophobicContact CD2-CB 3.91Å; Y285-F340 WeakPolarHBondContact CD2-O 3.29Å; Y285-F340 HydrophobicContact CE2-CB 3.32Å; Y285-F340 HydrophobicContact CE2-CG 4.41Å; T337-F340 PolarHBondContact O-N 2.96Å; T337-F340 VanDerWaalsContact O-N 3.09Å; F340-P342 WeakPolarHBondContact O-CD 3.44Å; F340-D392 HydrophobicContact CE1-CB 4.12Å
341A40.6Very low43.6Very low27 Ų2773.3 Ų73.322%0.22341%0.407CS..  trans-87.1103.3-18000000110.9Y285 G343Y285-A341 HydrophobicContact CE1-CB 4.42Å; A341-G343 PolarHBondContact O-N 3.47Å
342P37.5Very low41.3Very low40 Ų4077.5 Ų77.526%0.2643%0.43SS..  trans-57.7128167.722.5-31.2000109.3F340 Y344F340-P342 WeakPolarHBondContact O-CD 3.44Å; P342-Y344 HydrophobicContact CB-CE2 3.99Å; P342-Y344 HydrophobicContact CG-CE2 3.94Å; P342-Y344 WeakPolarHBondContact O-CD2 3.29Å; P342-Y344 PolarHBondContact O-N 3.15Å
343G36Very low38.9Very low34 Ų3475.4 Ų75.435%0.35143%0.43SS..  trans-68.6120.1-177.600000110.9Y202 A341Y202-G343 WeakPolarHBondContact OH-CA 3.34Å; A341-G343 PolarHBondContact O-N 3.47Å
344Y30.8Very low36.8Very low57 Ų5777.6 Ų77.622%0.22445%0.454CS..  trans-124.5106.4168.5-67.3-72.5000108.8R201 P342 N384R201-Y344 PolarHBondContact NH1-O 3.13Å; P342-Y344 HydrophobicContact CB-CE2 3.99Å; P342-Y344 HydrophobicContact CG-CE2 3.94Å; P342-Y344 WeakPolarHBondContact O-CD2 3.29Å; P342-Y344 PolarHBondContact O-N 3.15Å; Y344-N384 HydrophobicContact CD1-CB 3.57Å; Y344-N384 HydrophobicContact CE1-CB 3.66Å; Y344-N384 WeakPolarHBondContact CE1-O 3.42Å; Y344-N384 HydrophobicContact CG-CB 4.09Å; Y344-N384 PolarHBondContact OH-O 3.13Å
345D32.1Very low34.9Very low59 Ų5980.4 Ų80.432%0.31647%0.468SS..  trans-140.8102.7151-89.6-66.6000104.2R199 P347R199-D345 IonicContact CZ-OD1 2.99Å; R199-D345 IonicContact NH2-OD1 2.83Å; R199-D345 PolarHBondContact NH2-OD1 3.03Å; D345-P347 VanDerWaalsContact O-CD 3.25Å; D345-P347 WeakPolarHBondContact O-CD 3.38Å
346N30.4Very low33.8Very low91 Ų9182.5 Ų82.549%0.48747%0.471SS..  trans-76.1114.2169.2-179.2-0.6000107.2N348N346-N348 PolarHBondContact O-N 3.08Å; N346-N348 WeakPolarHBondContact OD1-CB 3.13Å; N346-N348 PolarHBondContact OD1-N 3.38Å; N346-N348 VanDerWaalsContact OD1-N 3.1Å
347P29.9Very low32.4Very low90 Ų9081.7 Ų81.758%0.58448%0.483SS*.G310 helixtrans-65-12-179-1831.7000113.4D345D345-P347 VanDerWaalsContact O-CD 3.25Å; D345-P347 WeakPolarHBondContact O-CD 3.38Å
348N26Very low31.1Very low142 Ų14289.4 Ų89.476%0.75952%0.524SS*.G310 helixtrans-94.911-167.7-66.3-23.4000115.8N346N346-N348 PolarHBondContact O-N 3.08Å; N346-N348 WeakPolarHBondContact OD1-CB 3.13Å; N346-N348 PolarHBondContact OD1-N 3.38Å; N346-N348 VanDerWaalsContact OD1-N 3.1Å
349N30.3Very low30.2Very low129 Ų12991.6 Ų91.669%0.6954%0.54SS*.G310 helixtrans-108.331.8171.6-155.814.8000114.3
350Y31.6Very low29.4Very low105 Ų10591 Ų9141%0.41255%0.548SS..  trans-133.6102.1171-68.7-76.1000109.8S352Y350-S352 PolarHBondContact O-N 2.92Å
351D26.1Very low28.4Very low85 Ų8596.1 Ų96.146%0.45558%0.577SS.*  trans-63.8107.8165.8-173.11.3000108.6S353 Y356D351-S353 PolarHBondContact O-N 3.43Å; D351-S353 WeakPolarHBondContact OD1-CA 3.44Å; D351-S353 WeakPolarHBondContact OD1-CB 3.47Å; D351-S353 PolarHBondContact OD1-N 3.49Å; D351-S353 PolarHBondContact OD1-OG 3.21Å; D351-S353 PolarHBondContact OD2-OG 2.86Å; D351-Y356 WeakPolarHBondContact OD2-CE2 3.35Å; D351-Y356 PolarHBondContact OD2-OH 3.03Å
352S29.7Very low27.7Very low126 Ų126100.8 Ų100.888%0.88160%0.604SS**  trans-77.5-1.1175.2-169.20000112.2Y350Y350-S352 PolarHBondContact O-N 2.92Å
353S26Very low26.9Very low71 Ų71105.1 Ų105.150%0.49763%0.629SS.*  trans-95.6113.8176.969.90000111.9D351D351-S353 PolarHBondContact O-N 3.43Å; D351-S353 WeakPolarHBondContact OD1-CA 3.44Å; D351-S353 WeakPolarHBondContact OD1-CB 3.47Å; D351-S353 PolarHBondContact OD1-N 3.49Å; D351-S353 PolarHBondContact OD1-OG 3.21Å; D351-S353 PolarHBondContact OD2-OG 2.86Å
354G23.8Very low26.4Very low64 Ų64109.6 Ų109.666%0.6665%0.645SS**  trans-61.1163.8159.400000111.2
355V20.9Very low25.9Very low139 Ų139114.5 Ų114.584%0.84268%0.675SS**  trans94.988.3-179-167.60000113.2
356Y30.8Very low25.5Very low169 Ų169121.9 Ų121.966%0.66370%0.7SS**  trans-118.5117.8158.3-77.1-78.6000109.9D351D351-Y356 WeakPolarHBondContact OD2-CE2 3.35Å; D351-Y356 PolarHBondContact OD2-OH 3.03Å
357G22.1Very low25.2Very low68 Ų68126.3 Ų126.370%0.70172%0.718SS**  trans-70.4154.9178.100000112.7
358D21.2Very low24.9Very low164 Ų164130.8 Ų130.888%0.87773%0.731SS**  trans-49124.5170.7-179.623.6000112.8
359S26.4Very low24.7Very low104 Ų104129.4 Ų129.473%0.72773%0.733SS**  trans-153.593.7158.761.70000111
360S23.1Very low24.4Very low98 Ų98130.4 Ų130.469%0.68574%0.738SS**  trans35.9113136.461.20000120.1
361N21.6Very low24Very low156 Ų156132.9 Ų132.983%0.83476%0.758SS**  trans7.7120.9143.2-80-13.3000118.2
362T25.1Very low23.8Very low126 Ų126140.2 Ų140.277%0.77378%0.781SS**  trans-135.3106.5140.6-48.70000108.4
363T21.2Very low23.5Very low130 Ų130139 Ų13980%0.79877%0.773SS**  trans-69.7121.9167.915.60000108.9
364N26.2Very low23.5Very low128 Ų128142 Ų14268%0.68479%0.789SS**  trans-120.1105.5161.4-84-24.4000108.7
365D20.4Very low23.4Very low160 Ų160147.2 Ų147.286%0.85680%0.796SS**  trans-64.2122164.5-104.8-30.4000108.9
366Y23.8Very low23.6Very low215 Ų215150.9 Ų150.984%0.84380%0.796SS**  trans-99.698.5164.4-81.8-79.4000108.6
367Q22.6Very low23.4Very low183 Ų183149.4 Ų149.486%0.85580%0.799SS**  trans-73.2135.3166.3-75.8-171.9-69.500110.6
368Q23.3Very low23.6Very low185 Ų185154.8 Ų154.886%0.86481%0.806SS**  trans-72.5119.4176.8-174.1177.73700110.4
369S23.4Very low24Very low113 Ų113149.6 Ų149.679%0.7979%0.791SS**  trans-142.6122.5160.853.30000110.2
370N22.4Very low24.4Very low149 Ų149150 Ų15080%0.79778%0.778SS**  trans-64.3123.1172.3-58.2-40.3000109.7
371D23.5Very low24.7Very low158 Ų158151 Ų15185%0.84578%0.78SS**  trans-164.4132.8133.4-115.9-25.5000109.9S373D371-S373 PolarHBondContact O-N 3.22Å
372Y22.6Very low25.5Very low238 Ų238145.1 Ų145.193%0.93375%0.749SS**  trans-69.5108.5177.2-77.5-94.7000108.9
373S23.7Very low26Very low101 Ų101144.4 Ų144.471%0.70675%0.746SS**  trans-136.4124156.187.10000109.1D371 Q375D371-S373 PolarHBondContact O-N 3.22Å; S373-Q375 PolarHBondContact O-N 2.78Å; S373-Q375 VanDerWaalsContact O-N 3.1Å
374T24.5Very low26.6Very low135 Ų135140.7 Ų140.783%0.82872%0.721SS**  trans-63.8100.3179.248.10000109.8
375Q23.2Very low27Very low173 Ų173141 Ų14181%0.80872%0.719SS**  trans-102.397.4166.9-156.7171.3-21.600107.3S373S373-Q375 PolarHBondContact O-N 2.78Å; S373-Q375 VanDerWaalsContact O-N 3.1Å
376Y23.8Very low27.2Very low216 Ų216135 Ų13585%0.84770%0.696SS**  trans-55.1143.9154.9-73.7-87.4000107.7
377D26.8Very low27.5Very low137 Ų137135.9 Ų135.973%0.73370%0.699SS**  trans105.684.5169.2-156.624.6000116
378Q27.8Very low27.7Very low181 Ų181129.2 Ų129.285%0.84668%0.679SS**  -148.489.6113.1-86.5-70.26.900105Y380Q378-Y380 PolarHBondContact O-N 2.73Å; Q378-Y380 VanDerWaalsContact O-N 3.11Å
379G28.8Very low27.7Very low55 Ų55124.7 Ų124.757%0.56768%0.682SS**  trans-61.4113.6173.900000109T381G379-T381 VanDerWaalsContact C-N 3.25Å; G379-T381 PolarHBondContact O-N 2.92Å; G379-T381 PolarHBondContact O-OG1 3.48Å
380Y35Very low27.9Very low112 Ų112121.9 Ų121.944%0.43967%0.666SS.*  trans-65.197.3161.2-178.7-93.8000106.9R84 Q378R84-Y380 VanDerWaalsContact CZ-OH 3.31Å; R84-Y380 PolarHBondContact NH1-OH 3.36Å; R84-Y380 VanDerWaalsContact NH1-OH 3.13Å; Q378-Y380 PolarHBondContact O-N 2.73Å; Q378-Y380 VanDerWaalsContact O-N 3.11Å
381T28.7Very low28.1Very low121 Ų121121 Ų12174%0.74267%0.666SS**  trans-85.8117.9173.6-16.70000107.2G379 P383G379-T381 VanDerWaalsContact C-N 3.25Å; G379-T381 PolarHBondContact O-N 2.92Å; G379-T381 PolarHBondContact O-OG1 3.48Å; T381-P383 WeakPolarHBondContact O-CD 3.35Å
382D39.5Very low28.4Very low31 Ų31116.6 Ų116.617%0.16664%0.643CS.*  trans-64.7115.7179.5-175.29.4000111.1R84 N384 Q385R84-D382 IonicContact CZ-OD1 2.74Å; R84-D382 IonicContact NH1-OD1 3.95Å; R84-D382 PolarHBondContact NH1-OD1 2.89Å; R84-D382 IonicContact NH2-OD1 3.19Å; R84-D382 PolarHBondContact NH2-OD1 3.2Å; R84-D382 IonicContact NH2-OD2 2.77Å; R84-D382 PolarHBondContact NH2-OD2 3.44Å; D382-N384 PolarHBondContact O-N 2.87Å; D382-N384 VanDerWaalsContact O-N 3.15Å; D382-N384 WeakPolarHBondContact OD1-CB 3.41Å; D382-N384 PolarHBondContact OD1-N 3.26Å; D382-Q385 HydrophobicContact CB-CB 4.13Å; D382-Q385 HydrophobicContact CB-CG 3.75Å; D382-Q385 PolarHBondContact O-N 3.33Å
383P34.1Very low28.8Very low111 Ų111109.8 Ų109.872%0.72163%0.628SS**THydrogen-bonded Turntrans-65.6-14.1174.4-15.830000113.1T381T381-P383 WeakPolarHBondContact O-CD 3.35Å
384N35.6Very low29Very low52 Ų52111.7 Ų111.728%0.27863%0.63SS.*THydrogen-bonded Turntrans-103.319-179.7-81.3-8000113.4Y344 D382 G386Y344-N384 HydrophobicContact CD1-CB 3.57Å; Y344-N384 HydrophobicContact CE1-CB 3.66Å; Y344-N384 WeakPolarHBondContact CE1-O 3.42Å; Y344-N384 HydrophobicContact CG-CB 4.09Å; Y344-N384 PolarHBondContact OH-O 3.13Å; D382-N384 PolarHBondContact O-N 2.87Å; D382-N384 VanDerWaalsContact O-N 3.15Å; D382-N384 WeakPolarHBondContact OD1-CB 3.41Å; D382-N384 PolarHBondContact OD1-N 3.26Å; N384-G386 PolarHBondContact O-N 3.21Å
385Q34.1Very low29.3Very low134 Ų134109 Ų10963%0.62662%0.622SS**  trans-79.714.4176.9-102-173.734.700115.3D382D382-Q385 HydrophobicContact CB-CB 4.13Å; D382-Q385 HydrophobicContact CB-CG 3.75Å; D382-Q385 PolarHBondContact O-N 3.33Å
386G25.1Very low29.5Very low36 Ų36103.8 Ų103.837%0.37161%0.614SS.*SBendtrans-120.3128.1-173.500000114.2N384N384-G386 PolarHBondContact O-N 3.21Å
387Y28.8Very low29.7Very low232 Ų232102.2 Ų102.291%0.9161%0.614SS**  trans81.491.8161.4-57.1-83.1000117.4
388G26.9Very low29.7Very low43 Ų43105 Ų10544%0.44362%0.623SS.*  trans-166.275.3166.400000113.3A390G388-A390 PolarHBondContact O-N 3.1Å; G388-A390 VanDerWaalsContact O-N 3.09Å
389G23Very low29.8Very low90 Ų90103.5 Ų103.593%0.92862%0.621SS**  trans-72.892.4165.700000110.2
390A29.2Very low29.7Very low54 Ų54107.6 Ų107.645%0.44663%0.629SS.*  trans-105.1103.6163.400000108G388G388-A390 PolarHBondContact O-N 3.1Å; G388-A390 VanDerWaalsContact O-N 3.09Å
391T25.7Very low29.4Very low130 Ų130108.8 Ų108.880%0.79865%0.648SS**  trans-77.8125.1170.345.70000109.5P393T391-P393 VanDerWaalsContact O-CD 3.27Å; T391-P393 WeakPolarHBondContact O-CD 3.46Å
392D30.5Very low29.6Very low67 Ų67114.4 Ų114.436%0.35866%0.658SS.*  trans-56.1115169.1175.99000110.7F340 N394 A395F340-D392 HydrophobicContact CE1-CB 4.12Å; D392-N394 PolarHBondContact O-N 3.22Å; D392-N394 WeakPolarHBondContact OD1-CA 3.31Å; D392-N394 WeakPolarHBondContact OD1-CB 3.17Å; D392-N394 PolarHBondContact OD1-N 2.99Å; D392-A395 HydrophobicContact CB-CB 3.93Å; D392-A395 WeakPolarHBondContact O-CB 3.49Å; D392-A395 PolarHBondContact O-N 3.24Å; D392-A395 PolarHBondContact OD1-N 2.57Å; D392-A395 PolarHBondContact OD2-N 3.11Å
393P29.1Very low29.2Very low95 Ų95116.1 Ų116.162%0.61768%0.683SS**THydrogen-bonded Turntrans-69-13.6176.1-13.428.1000113.5T391T391-P393 VanDerWaalsContact O-CD 3.27Å; T391-P393 WeakPolarHBondContact O-CD 3.46Å
394N29Very low29.1Very low140 Ų140119.6 Ų119.675%0.74969%0.689SS**THydrogen-bonded Turntrans-99.97.2175.3-84.4-16.6000113.8D392 G396D392-N394 PolarHBondContact O-N 3.22Å; D392-N394 WeakPolarHBondContact OD1-CA 3.31Å; D392-N394 WeakPolarHBondContact OD1-CB 3.17Å; D392-N394 PolarHBondContact OD1-N 2.99Å; N394-G396 PolarHBondContact O-N 3.41Å
395A31Very low29Very low80 Ų80122.8 Ų122.866%0.66171%0.713SS**  trans-69.84.917200000114.1D392D392-A395 HydrophobicContact CB-CB 3.93Å; D392-A395 WeakPolarHBondContact O-CB 3.49Å; D392-A395 PolarHBondContact O-N 3.24Å; D392-A395 PolarHBondContact OD1-N 2.57Å; D392-A395 PolarHBondContact OD2-N 3.11Å
396G26.6Very low28.8Very low63 Ų63121.8 Ų121.865%0.64973%0.727SS**SBendtrans-114.368.6174.600000112.7N394N394-G396 PolarHBondContact O-N 3.41Å
397Q27.9Very low28.9Very low182 Ų182124.9 Ų124.985%0.8575%0.749SS**SBendtrans175.459.1149.4-99.9174.720.200113.4
398Q27.9Very low28.8Very low197 Ų197117 Ų11792%0.92174%0.738SS**  trans-139.888.6149.2-75.1-166.5-5.900108.4
399N28.5Very low29.2Very low148 Ų148130 Ų13079%0.79178%0.776SS**  trans-65.2135.1163.9-79.2-20.2000109
400D28.3Very low29.5Very low141 Ų141132 Ų13275%0.75477%0.769SS**  trans48.899.6144.2-51-32.2000118
401V29.1Very low29.6Very low138 Ų138136.1 Ų136.184%0.83679%0.786SS**  -159.284.6119.9-1710000108.4G403V401-G403 VanDerWaalsContact C-N 3.34Å; V401-G403 PolarHBondContact O-N 3.1Å; V401-G403 VanDerWaalsContact O-N 3.1Å
402Y32.8Very low29.8Very low239 Ų239136.4 Ų136.494%0.93779%0.785SS**  trans-70.999.4153.8-87-82.7000107Q404Y402-Q404 PolarHBondContact O-N 3.42Å
403G31.1Very low29.7Very low67 Ų67140.5 Ų140.569%0.69181%0.81SS**  trans-62.8101170.600000109.4V401V401-G403 VanDerWaalsContact C-N 3.34Å; V401-G403 PolarHBondContact O-N 3.1Å; V401-G403 VanDerWaalsContact O-N 3.1Å
404Q30.3Very low29.8Very low184 Ų184143.3 Ų143.386%0.8682%0.822SS**  trans-59.3133.4165.6-78.7-174-50.300109.2Y402 A406Y402-Q404 PolarHBondContact O-N 3.42Å; Q404-A406 PolarHBondContact O-N 2.99Å
405P33.7Very low29.8Very low118 Ų118143.5 Ų143.577%0.76683%0.827SS**  trans-67.9131.2174.626.1-30.4000109.7A407P405-A407 PolarHBondContact O-N 3.06Å
406A29.9Very low29.7Very low113 Ų113148.1 Ų148.193%0.93484%0.839SS**  trans-58.8110.2176.600000110.2Q404Q404-A406 PolarHBondContact O-N 2.99Å
407A27.8Very low30Very low101 Ų101154.6 Ų154.684%0.83585%0.853SS**  trans-122119.417100000109.3P405P405-A407 PolarHBondContact O-N 3.06Å
408G26Very low30.1Very low66 Ų66152.3 Ų152.368%0.6885%0.854SS**  trans118.3108.9149.600000117.5
409Y36.5Very low30.3Very low316 Ų316148.3 Ų148.3100%1.23985%0.848SS**  trans82.30162.8-58.1-77.2000119.2

Retrieved 409 of 409 residues in 294.8 ms (Link to these results)

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