A0A087Y535_POEFO Loading...

NADP-retinol dehydrogenase

AlphaFold DB , UniProt , Accession A0A087Y535, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 340 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
1M72.7Confident89.2Confident186 Ų186113.8 Ų113.892%0.91658%0.583SS**  0-55.90-159.7158.870.900112.2M3 I4 I5M1-M3 PolarHBondContact O-N 3.3Å; M1-I4 PolarHBondContact O-N 3.37Å; M1-I5 HydrophobicContact CG-CD1 4.19Å; M1-I5 WeakPolarHBondContact O-CG1 3.5Å; M1-I5 PolarHBondContact O-N 2.93Å; M1-I5 VanDerWaalsContact O-N 3.13Å
2M77.1Confident89.6Confident168 Ų168109.6 Ų109.683%0.82856%0.561SS**Hα-helixtrans-62.1-36.1-179.4-161.1149.574.700114.3I5 A6M2-I5 PolarHBondContact O-N 2.71Å; M2-A6 PolarHBondContact O-N 2.77Å; M2-A6 VanDerWaalsContact O-N 3.09Å
3M84.8Confident90.1Very high136 Ų136110.3 Ų110.367%0.6757%0.566SS**Hα-helixtrans-66.2-43.1175.6-168.8174.476.800113M1 I5 A6 E7M1-M3 PolarHBondContact O-N 3.3Å; M3-I5 VanDerWaalsContact C-N 3.31Å; M3-I5 PolarHBondContact O-N 2.89Å; M3-A6 WeakPolarHBondContact O-CB 3.36Å; M3-A6 PolarHBondContact O-N 3.19Å; M3-E7 WeakPolarHBondContact O-CG 3.49Å; M3-E7 PolarHBondContact O-N 3.43Å
4I91.9Very high90.4Very high109 Ų109112.9 Ų112.956%0.55957%0.571SS**Hα-helixtrans-63.6-39.6176.8-64170.5000110.6M1 A6 E7 F8M1-I4 PolarHBondContact O-N 3.37Å; I4-A6 VanDerWaalsContact C-N 3.34Å; I4-E7 PolarHBondContact O-N 3.18Å; I4-F8 VanDerWaalsContact O-CB 3.31Å; I4-F8 WeakPolarHBondContact O-CB 3.47Å; I4-F8 PolarHBondContact O-N 3.24Å
5I91.1Very high90.6Very high87 Ų87110.1 Ų110.145%0.44656%0.562SS.*Hα-helixtrans-62.9-43.6176.1-67167000110.2M1 M2 M3 F8 F9M1-I5 HydrophobicContact CG-CD1 4.19Å; M1-I5 WeakPolarHBondContact O-CG1 3.5Å; M1-I5 PolarHBondContact O-N 2.93Å; M1-I5 VanDerWaalsContact O-N 3.13Å; M2-I5 PolarHBondContact O-N 2.71Å; M3-I5 VanDerWaalsContact C-N 3.31Å; M3-I5 PolarHBondContact O-N 2.89Å; I5-F8 WeakPolarHBondContact O-CB 3.31Å; I5-F8 PolarHBondContact O-N 3.22Å; I5-F9 HydrophobicContact CG2-CD2 3.96Å; I5-F9 HydrophobicContact CG2-CE2 3.59Å; I5-F9 WeakPolarHBondContact O-CD2 3.39Å; I5-F9 PolarHBondContact O-N 2.88Å; I5-F9 VanDerWaalsContact O-N 3.16Å
6A91.7Very high90.9Very high55 Ų55109.4 Ų109.446%0.45556%0.559SS.*Hα-helixtrans-63.5-45.817600000112.3M2 M3 I4 F8 F9 V10M2-A6 PolarHBondContact O-N 2.77Å; M2-A6 VanDerWaalsContact O-N 3.09Å; M3-A6 WeakPolarHBondContact O-CB 3.36Å; M3-A6 PolarHBondContact O-N 3.19Å; I4-A6 VanDerWaalsContact C-N 3.34Å; A6-F8 VanDerWaalsContact C-N 3.31Å; A6-F8 PolarHBondContact O-N 3.46Å; A6-F9 PolarHBondContact O-N 3.14Å; A6-V10 WeakPolarHBondContact O-CG2 3.49Å; A6-V10 PolarHBondContact O-N 3.13Å
7E93.6Very high91.1Very high105 Ų105113.2 Ų113.249%0.49157%0.565SS.*Hα-helixtrans-58.5-42174.9-74.4172.7179.900111.9M3 I4 F9 V10 V11M3-E7 WeakPolarHBondContact O-CG 3.49Å; M3-E7 PolarHBondContact O-N 3.43Å; I4-E7 PolarHBondContact O-N 3.18Å; E7-F9 PolarHBondContact O-N 3.3Å; E7-V10 WeakPolarHBondContact O-CB 3.47Å; E7-V10 PolarHBondContact O-N 2.91Å; E7-V11 WeakPolarHBondContact O-CG2 3.43Å; E7-V11 PolarHBondContact O-N 2.79Å
8F94.1Very high91.1Very high127 Ų127109.8 Ų109.856%0.55756%0.557SS**Hα-helixtrans-58.4-45.1176.2177-102.8000112.1I4 I5 A6 V11 I12I4-F8 VanDerWaalsContact O-CB 3.31Å; I4-F8 WeakPolarHBondContact O-CB 3.47Å; I4-F8 PolarHBondContact O-N 3.24Å; I5-F8 WeakPolarHBondContact O-CB 3.31Å; I5-F8 PolarHBondContact O-N 3.22Å; A6-F8 VanDerWaalsContact C-N 3.31Å; A6-F8 PolarHBondContact O-N 3.46Å; F8-V11 PolarHBondContact O-N 3.37Å; F8-I12 HydrophobicContact CD1-CD1 3.76Å; F8-I12 HydrophobicContact CE1-CD1 3.26Å; F8-I12 HydrophobicContact CE1-CG1 4.33Å; F8-I12 HydrophobicContact CE2-CD1 4.29Å; F8-I12 HydrophobicContact CG-CD1 4.47Å; F8-I12 HydrophobicContact CZ-CD1 3.57Å; F8-I12 HydrophobicContact CZ-CG1 4.34Å; F8-I12 WeakPolarHBondContact O-CG1 3.31Å; F8-I12 PolarHBondContact O-N 3.29Å
9F95.2Very high91.1Very high122 Ų122111.8 Ų111.854%0.53556%0.562SS.*Hα-helixtrans-65.5-39.5175-75.5-67.5000112.5I5 A6 E7 V11 I12 L13I5-F9 HydrophobicContact CG2-CD2 3.96Å; I5-F9 HydrophobicContact CG2-CE2 3.59Å; I5-F9 WeakPolarHBondContact O-CD2 3.39Å; I5-F9 PolarHBondContact O-N 2.88Å; I5-F9 VanDerWaalsContact O-N 3.16Å; A6-F9 PolarHBondContact O-N 3.14Å; E7-F9 PolarHBondContact O-N 3.3Å; F9-V11 VanDerWaalsContact C-N 3.31Å; F9-V11 PolarHBondContact O-N 3.03Å; F9-I12 PolarHBondContact O-N 2.66Å; F9-L13 WeakPolarHBondContact O-CG 3.32Å; F9-L13 PolarHBondContact O-N 3.2Å
10V94.4Very high91.2Very high73 Ų73110.7 Ų110.744%0.44256%0.561SS.*Hα-helixtrans-60.5-42.6174.4171.50000110.9A6 E7 L13 K14A6-V10 WeakPolarHBondContact O-CG2 3.49Å; A6-V10 PolarHBondContact O-N 3.13Å; E7-V10 WeakPolarHBondContact O-CB 3.47Å; E7-V10 PolarHBondContact O-N 2.91Å; V10-L13 PolarHBondContact O-N 3.09Å; V10-K14 HydrophobicContact CG1-CD 4.3Å; V10-K14 WeakPolarHBondContact O-CG 3.26Å; V10-K14 PolarHBondContact O-N 2.94Å
11V94.9Very high91Very high84 Ų84107.7 Ų107.751%0.50955%0.548SS..Hα-helixtrans-63-45.5175.9171.30000110.8E7 F8 F9 L13 K14 V15E7-V11 WeakPolarHBondContact O-CG2 3.43Å; E7-V11 PolarHBondContact O-N 2.79Å; F8-V11 PolarHBondContact O-N 3.37Å; F9-V11 VanDerWaalsContact C-N 3.31Å; F9-V11 PolarHBondContact O-N 3.03Å; V11-L13 VanDerWaalsContact C-N 3.32Å; V11-L13 PolarHBondContact O-N 2.9Å; V11-K14 PolarHBondContact O-N 3.48Å; V11-V15 HydrophobicContact CG1-CG2 4.26Å; V11-V15 VanDerWaalsContact O-CG2 3.31Å; V11-V15 WeakPolarHBondContact O-CG2 3.27Å; V11-V15 PolarHBondContact O-N 2.89Å
12I94.3Very high91.6Very high63 Ų63101.1 Ų101.132%0.32352%0.523SS..Hα-helixtrans-56.2-48.3175.4-72.9171.6000110.7F8 F9 K14 V15 L16F8-I12 HydrophobicContact CD1-CD1 3.76Å; F8-I12 HydrophobicContact CE1-CD1 3.26Å; F8-I12 HydrophobicContact CE1-CG1 4.33Å; F8-I12 HydrophobicContact CE2-CD1 4.29Å; F8-I12 HydrophobicContact CG-CD1 4.47Å; F8-I12 HydrophobicContact CZ-CD1 3.57Å; F8-I12 HydrophobicContact CZ-CG1 4.34Å; F8-I12 WeakPolarHBondContact O-CG1 3.31Å; F8-I12 PolarHBondContact O-N 3.29Å; F9-I12 PolarHBondContact O-N 2.66Å; I12-K14 VanDerWaalsContact C-N 3.34Å; I12-K14 PolarHBondContact O-N 3.44Å; I12-V15 PolarHBondContact O-N 3.18Å; I12-L16 HydrophobicContact CG2-CD1 3.87Å; I12-L16 HydrophobicContact CG2-CG 4.29Å; I12-L16 WeakPolarHBondContact O-CB 3.47Å; I12-L16 WeakPolarHBondContact O-CG 3.48Å; I12-L16 PolarHBondContact O-N 2.99Å
13L95.9Very high92.1Very high119 Ų11994.9 Ų94.962%0.62350%0.502SS*.Hα-helixtrans-61.7-42.2179-69.5172.7000111.8F9 V10 V11 L16 W17F9-L13 WeakPolarHBondContact O-CG 3.32Å; F9-L13 PolarHBondContact O-N 3.2Å; V10-L13 PolarHBondContact O-N 3.09Å; V11-L13 VanDerWaalsContact C-N 3.32Å; V11-L13 PolarHBondContact O-N 2.9Å; L13-L16 PolarHBondContact O-N 3.21Å; L13-W17 VanDerWaalsContact O-CB 3.31Å; L13-W17 WeakPolarHBondContact O-CB 3.31Å; L13-W17 PolarHBondContact O-N 3.05Å
14K94.1Very high92.2Very high147 Ų14790.8 Ų90.864%0.63949%0.49SS*.Hα-helixtrans-62.5-41.2175.3-75.8-178.8176.1-175.50112.2V10 V11 I12 W17 A18V10-K14 HydrophobicContact CG1-CD 4.3Å; V10-K14 WeakPolarHBondContact O-CG 3.26Å; V10-K14 PolarHBondContact O-N 2.94Å; V11-K14 PolarHBondContact O-N 3.48Å; I12-K14 VanDerWaalsContact C-N 3.34Å; I12-K14 PolarHBondContact O-N 3.44Å; K14-W17 PolarHBondContact O-N 3.38Å; K14-A18 WeakPolarHBondContact O-CB 3.34Å; K14-A18 PolarHBondContact O-N 3.47Å
15V93.9Very high91.8Very high71 Ų7192.7 Ų92.743%0.4349%0.49SS..Hα-helixtrans-65.5-47.3177.2169.60000110.6V11 I12 W17 A18 F19V11-V15 HydrophobicContact CG1-CG2 4.26Å; V11-V15 VanDerWaalsContact O-CG2 3.31Å; V11-V15 WeakPolarHBondContact O-CG2 3.27Å; V11-V15 PolarHBondContact O-N 2.89Å; I12-V15 PolarHBondContact O-N 3.18Å; V15-W17 VanDerWaalsContact C-N 3.3Å; V15-W17 PolarHBondContact O-N 3.13Å; V15-A18 WeakPolarHBondContact O-CB 3.41Å; V15-A18 PolarHBondContact O-N 2.87Å; V15-A18 VanDerWaalsContact O-N 3.12Å; V15-F19 HydrophobicContact CG1-CD2 3.91Å; V15-F19 HydrophobicContact CG1-CE2 3.57Å; V15-F19 WeakPolarHBondContact O-CD2 3.31Å; V15-F19 PolarHBondContact O-N 3.37Å
16L94.9Very high91.2Very high99 Ų9997.8 Ų97.852%0.51850%0.504SS..Hα-helixtrans-59.7-42.5175.9-69.9175.1000111.4I12 L13 A18 F19 V20I12-L16 HydrophobicContact CG2-CD1 3.87Å; I12-L16 HydrophobicContact CG2-CG 4.29Å; I12-L16 WeakPolarHBondContact O-CB 3.47Å; I12-L16 WeakPolarHBondContact O-CG 3.48Å; I12-L16 PolarHBondContact O-N 2.99Å; L13-L16 PolarHBondContact O-N 3.21Å; L16-A18 VanDerWaalsContact C-N 3.34Å; L16-A18 PolarHBondContact O-N 3.41Å; L16-F19 PolarHBondContact O-N 3Å; L16-V20 WeakPolarHBondContact O-CG2 3.09Å; L16-V20 PolarHBondContact O-N 3.09Å
17W93.8Very high90.7Very high174 Ų174101.1 Ų101.166%0.65952%0.518SS*.Hα-helixtrans-62.5-39.2174.4-176.5-109.2000112.6L13 K14 V15 F19 V20 T21L13-W17 VanDerWaalsContact O-CB 3.31Å; L13-W17 WeakPolarHBondContact O-CB 3.31Å; L13-W17 PolarHBondContact O-N 3.05Å; K14-W17 PolarHBondContact O-N 3.38Å; V15-W17 VanDerWaalsContact C-N 3.3Å; V15-W17 PolarHBondContact O-N 3.13Å; W17-F19 VanDerWaalsContact C-N 3.31Å; W17-F19 PolarHBondContact O-N 3.22Å; W17-V20 HydrophobicContact CZ3-CG1 4.49Å; W17-V20 PolarHBondContact O-N 3.16Å; W17-T21 HydrophobicContact CD2-CG2 4.22Å; W17-T21 HydrophobicContact CG-CG2 4.45Å; W17-T21 HydrophobicContact CZ2-CG2 4.02Å; W17-T21 WeakPolarHBondContact O-CB 3.36Å; W17-T21 WeakPolarHBondContact O-CG2 3.43Å; W17-T21 PolarHBondContact O-N 3.45Å; W17-T21 PolarHBondContact O-OG1 2.73Å
18A91.5Very high90.4Very high52 Ų52101 Ų10143%0.4352%0.524SS..Hα-helixtrans-61.5-38.6174.100000111.9K14 V15 L16 T21 A22K14-A18 WeakPolarHBondContact O-CB 3.34Å; K14-A18 PolarHBondContact O-N 3.47Å; V15-A18 WeakPolarHBondContact O-CB 3.41Å; V15-A18 PolarHBondContact O-N 2.87Å; V15-A18 VanDerWaalsContact O-N 3.12Å; L16-A18 VanDerWaalsContact C-N 3.34Å; L16-A18 PolarHBondContact O-N 3.41Å; A18-T21 WeakPolarHBondContact CA-OG1 3.46Å; A18-T21 PolarHBondContact O-OG1 3.19Å; A18-A22 VanDerWaalsContact O-CB 3.25Å; A18-A22 WeakPolarHBondContact O-CB 3.46Å; A18-A22 PolarHBondContact O-N 3.41Å
19F92.1Very high89.8Confident148 Ų148103.8 Ų103.865%0.64953%0.531SS*.Hα-helixtrans-66.6-43.8173.3-77.7-69.4000112.6V15 L16 W17 T21 A22 G23V15-F19 HydrophobicContact CG1-CD2 3.91Å; V15-F19 HydrophobicContact CG1-CE2 3.57Å; V15-F19 WeakPolarHBondContact O-CD2 3.31Å; V15-F19 PolarHBondContact O-N 3.37Å; L16-F19 PolarHBondContact O-N 3Å; W17-F19 VanDerWaalsContact C-N 3.31Å; W17-F19 PolarHBondContact O-N 3.22Å; F19-T21 PolarHBondContact O-N 3Å; F19-A22 PolarHBondContact O-N 2.98Å; F19-G23 PolarHBondContact O-N 3.32Å
20V92Very high89.3Confident88 Ų88100.4 Ų100.453%0.53352%0.522SS..Hα-helixtrans-60.8-46.5176.9171.80000110.8L16 W17 G23 A24L16-V20 WeakPolarHBondContact O-CG2 3.09Å; L16-V20 PolarHBondContact O-N 3.09Å; W17-V20 HydrophobicContact CZ3-CG1 4.49Å; W17-V20 PolarHBondContact O-N 3.16Å; V20-G23 PolarHBondContact O-N 3.48Å; V20-A24 WeakPolarHBondContact O-CB 3.27Å; V20-A24 PolarHBondContact O-N 3.38Å
21T87.6Confident89.1Confident48 Ų48106.4 Ų106.429%0.29454%0.542SS..Hα-helixtrans-65.7-39.6178520000112.2W17 A18 F19 A24 R25W17-T21 HydrophobicContact CD2-CG2 4.22Å; W17-T21 HydrophobicContact CG-CG2 4.45Å; W17-T21 HydrophobicContact CZ2-CG2 4.02Å; W17-T21 WeakPolarHBondContact O-CB 3.36Å; W17-T21 WeakPolarHBondContact O-CG2 3.43Å; W17-T21 PolarHBondContact O-N 3.45Å; W17-T21 PolarHBondContact O-OG1 2.73Å; A18-T21 WeakPolarHBondContact CA-OG1 3.46Å; A18-T21 PolarHBondContact O-OG1 3.19Å; F19-T21 PolarHBondContact O-N 3Å; T21-A24 PolarHBondContact O-N 3.48Å; T21-R25 WeakPolarHBondContact O-CG 3.42Å; T21-R25 PolarHBondContact O-N 3.39Å
22A85.9Confident89.1Confident48 Ų48106.6 Ų106.640%0.39754%0.537SS..Hα-helixtrans-62.7-41.9173.200000112.1A18 F19 R25A18-A22 VanDerWaalsContact O-CB 3.25Å; A18-A22 WeakPolarHBondContact O-CB 3.46Å; A18-A22 PolarHBondContact O-N 3.41Å; F19-A22 PolarHBondContact O-N 2.98Å; A22-R25 PolarHBondContact O-N 3.11Å
23G86.8Confident89.1Confident38 Ų38106.1 Ų106.139%0.39253%0.533SS..Hα-helixtrans-65.2-41.9174.200000112.5F19 V20 R25 W26F19-G23 PolarHBondContact O-N 3.32Å; V20-G23 PolarHBondContact O-N 3.48Å; G23-R25 VanDerWaalsContact C-N 3.29Å; G23-R25 PolarHBondContact O-N 3Å; G23-W26 WeakPolarHBondContact O-CB 3.42Å; G23-W26 PolarHBondContact O-N 3.41Å
24A87.1Confident89.1Confident49 Ų49104.3 Ų104.341%0.40553%0.53SS..Hα-helixtrans-60.8-37.817600000111.9V20 T21 W26 V27 V28V20-A24 WeakPolarHBondContact O-CB 3.27Å; V20-A24 PolarHBondContact O-N 3.38Å; T21-A24 PolarHBondContact O-N 3.48Å; A24-W26 PolarHBondContact O-N 3.13Å; A24-V27 PolarHBondContact O-N 3.15Å; A24-V28 PolarHBondContact O-N 2.98Å
25R83.2Confident89.2Confident149 Ų14997.4 Ų97.456%0.56250%0.5SS*.Hα-helixtrans-63.9-18.8175.5-72.4174.9-178.2-169.1-0.7114.1T21 A22 G23 V28 P30T21-R25 WeakPolarHBondContact O-CG 3.42Å; T21-R25 PolarHBondContact O-N 3.39Å; A22-R25 PolarHBondContact O-N 3.11Å; G23-R25 VanDerWaalsContact C-N 3.29Å; G23-R25 PolarHBondContact O-N 3Å; R25-V28 CarbonylContact C-O 3.6Å; R25-V28 WeakPolarHBondContact CA-O 3.47Å; R25-P30 HydrophobicContact CB-CG 4.46Å; R25-P30 HydrophobicContact CG-CG 4.27Å
26W77.8Confident89.3Confident195 Ų19596.7 Ų96.774%0.73950%0.496SS*.Hα-helixtrans-77.5-32.1171.9-8153.8000112.3G23 A24G23-W26 WeakPolarHBondContact O-CB 3.42Å; G23-W26 PolarHBondContact O-N 3.41Å; A24-W26 PolarHBondContact O-N 3.13Å
27V82.8Confident89.2Confident125 Ų12593.2 Ų93.276%0.75848%0.484SS*.Hα-helixtrans-87-49-179.6-176.30000110.6A24A24-V27 PolarHBondContact O-N 3.15Å
28V85.7Confident89.3Confident102 Ų10286.4 Ų86.462%0.61846%0.46SS*.SBendtrans-101.2109178.3-175.40000108.2A24 R25A24-V28 PolarHBondContact O-N 2.98Å; R25-V28 CarbonylContact C-O 3.6Å; R25-V28 WeakPolarHBondContact CA-O 3.47Å
29R81.8Confident89.6Confident185 Ų18584.6 Ų84.670%0.69844%0.443SS*.PPolyproline II helixtrans-63.2127.6178-69.4-177.6175.1-177.16109.4R277R29-R277 VanDerWaalsContact CD-NH2 3.33Å
30P84.9Confident90Very high52 Ų5277.6 Ų77.634%0.33841%0.413SS..PPolyproline II helixtrans-58.5143.9173.9-20.430.6000110.7R25 T281R25-P30 HydrophobicContact CB-CG 4.46Å; R25-P30 HydrophobicContact CG-CG 4.27Å; P30-T281 HydrophobicContact CB-CG2 3.93Å; P30-T281 HydrophobicContact CG-CG2 4.49Å
31K90.2Very high90.3Very high198 Ų19873.4 Ų73.486%0.86139%0.387SS*.PPolyproline II helixtrans-68133.9173-173.8177.3173.1-179.90108.8
32E94.4Very high90.8Very high89 Ų8971.1 Ų71.142%0.41637%0.373SS..PPolyproline II helixtrans-70.7131.8173-69.5-175.7-174.300109.7L280 T281E32-L280 CarbonylContact C-O 3.37Å; E32-L280 WeakPolarHBondContact CA-O 3.41Å; E32-L280 HydrophobicContact CB-CB 3.93Å; E32-L280 HydrophobicContact CG-CB 3.93Å; E32-L280 HydrophobicContact CG-CD1 4.48Å; E32-L280 WeakPolarHBondContact OE2-CD1 3.31Å; E32-T281 HydrophobicContact CG-CG2 4.14Å
33K95.3Very high91.4Very high52 Ų5269 Ų6923%0.22636%0.355CS..PPolyproline II helixtrans-72.1151.3171.776.1-170.4-174.9177.10110.6H190 I279 L280 D282K33-H190 PolarHBondContact NZ-ND1 2.85Å; K33-H190 VanDerWaalsContact NZ-ND1 3.1Å; K33-I279 WeakPolarHBondContact CE-O 3.48Å; K33-L280 WeakPolarHBondContact CG-O 3.37Å; K33-L280 PolarHBondContact N-O 2.93Å; K33-L280 WeakPolarHBondContact O-CD2 3.3Å; K33-D282 WeakPolarHBondContact CE-OD1 3.32Å; K33-D282 IonicContact NZ-OD1 3.61Å; K33-D282 PolarHBondContact NZ-OD1 3.37Å; K33-D282 IonicContact NZ-OD2 3.79Å
34S95.4Very high92Very high82 Ų8267.9 Ų67.957%0.57334%0.344SS*.PPolyproline II helixtrans-77.1142.4171.1-174.30000110.1T36S34-T36 PolarHBondContact OG-N 3.3Å; S34-T36 PolarHBondContact OG-OG1 3.34Å
35V96Very high92.5Very high2 Ų265.6 Ų65.61%0.01233%0.325CS..  trans-11911.1170.8-61.80000111.3G37 Q38 F57 R60 A62 I140 L280V35-G37 PolarHBondContact O-N 3.43Å; V35-Q38 WeakPolarHBondContact O-CB 3.48Å; V35-Q38 PolarHBondContact O-N 2.86Å; V35-Q38 VanDerWaalsContact O-N 3.12Å; V35-F57 HydrophobicContact CG1-CE1 4.32Å; V35-F57 HydrophobicContact CG2-CD1 4.04Å; V35-F57 HydrophobicContact CG2-CE1 4.37Å; V35-R60 HydrophobicContact CG2-CB 3.51Å; V35-R60 HydrophobicContact CG2-CG 4.43Å; V35-A62 HydrophobicContact CG2-CB 4.39Å; V35-A62 WeakPolarHBondContact O-CA 3.14Å; V35-I140 HydrophobicContact CB-CD1 4.32Å; V35-I140 HydrophobicContact CG1-CD1 3.82Å; V35-L280 HydrophobicContact CG1-CD2 3.65Å; V35-L280 HydrophobicContact CG2-CD2 4.26Å
36T95.3Very high93.2Very high55 Ų5558.5 Ų58.534%0.33730%0.298SS..THydrogen-bonded Turntrans-57.9126.5177.3-59.50000109.7S34 Q38 R60 R61 V104S34-T36 PolarHBondContact OG-N 3.3Å; S34-T36 PolarHBondContact OG-OG1 3.34Å; T36-Q38 PolarHBondContact O-N 3.44Å; T36-R60 WeakPolarHBondContact CA-O 3.38Å; T36-R60 PolarHBondContact OG1-O 2.89Å; T36-R61 HydrophobicContact CG2-CB 4.01Å; T36-V104 HydrophobicContact CG2-CG1 4.23Å
37G93.4Very high94Very high26 Ų2652.7 Ų52.727%0.26829%0.287SS..THydrogen-bonded Turntrans77.1-7.6179.800000115.8V35 R61V35-G37 PolarHBondContact O-N 3.43Å; G37-R61 PolarHBondContact N-O 3.2Å
38Q96.5Very high94.7Very high31 Ų3148 Ų4815%0.14526%0.264CS..  trans-73.4138.8178.3-69.8-171.1-14.900111.5V35 T36 C40 V63 D139 H188V35-Q38 WeakPolarHBondContact O-CB 3.48Å; V35-Q38 PolarHBondContact O-N 2.86Å; V35-Q38 VanDerWaalsContact O-N 3.12Å; T36-Q38 PolarHBondContact O-N 3.44Å; Q38-C40 PolarHBondContact O-N 3.1Å; Q38-V63 PolarHBondContact O-N 3.22Å; Q38-D139 VanDerWaalsContact CA-OD2 3.27Å; Q38-D139 WeakPolarHBondContact CA-OD2 3.23Å; Q38-D139 HydrophobicContact CB-CB 3.95Å; Q38-D139 HydrophobicContact CG-CB 4.23Å; Q38-H188 PolarHBondContact NE2-NE2 2.85Å
39V98.4Very high95.2Very high15 Ų1544.1 Ų44.19%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-81.6112.9177.4-177.30000109.7V63 V65 V135 E137 V138 D139 I140V39-V63 HydrophobicContact CG2-CB 4.21Å; V39-V63 HydrophobicContact CG2-CG1 4.45Å; V39-V65 HydrophobicContact CG1-CG2 4.04Å; V39-V135 HydrophobicContact CG1-CG1 3.84Å; V39-V135 HydrophobicContact CG2-CG1 4.29Å; V39-E137 WeakPolarHBondContact CB-O 3.35Å; V39-E137 WeakPolarHBondContact CG2-O 3.5Å; V39-V138 HydrophobicContact CG1-CG2 4.29Å; V39-D139 PolarHBondContact N-OD2 3.45Å; V39-D139 PolarHBondContact O-N 3.2Å; V39-I140 PolarHBondContact O-N 3.25Å
40C98.8Very high96Very high0 Ų035.3 Ų35.30%021%0.207CC..EExtended strand (participates in β ladder)trans-114.3113.8-176.5-178.90000111.1Q38 V63 L64 V65 I140Q38-C40 PolarHBondContact O-N 3.1Å; C40-V63 PolarHBondContact N-O 3.07Å; C40-L64 HydrophobicContact CB-CD2 4.04Å; C40-V65 PolarHBondContact O-N 2.97Å; C40-I140 CarbonylContact C-O 3.56Å; C40-I140 WeakPolarHBondContact CA-O 3.48Å; C40-I140 HydrophobicContact CB-CB 4.08Å
41V98.9Very high96.6Very high0 Ų035.4 Ų35.40%020%0.2CC..EExtended strand (participates in β ladder)trans-89.9126.8172.9176.50000109.7V65 W67 V131 V138 I140 L141 I142 F179V41-V65 CarbonylContact C-O 3.59Å; V41-V65 WeakPolarHBondContact CA-O 3.13Å; V41-V65 HydrophobicContact CB-CB 4.46Å; V41-V65 HydrophobicContact CG2-CB 3.84Å; V41-V65 HydrophobicContact CG2-CG1 3.93Å; V41-V65 HydrophobicContact CG2-CG2 4.45Å; V41-W67 HydrophobicContact CG1-CD2 4.21Å; V41-W67 HydrophobicContact CG1-CG 4.41Å; V41-V131 HydrophobicContact CG2-CG1 4.37Å; V41-V138 HydrophobicContact CB-CG1 4.18Å; V41-V138 HydrophobicContact CG2-CB 4.26Å; V41-V138 HydrophobicContact CG2-CG1 3.66Å; V41-V138 HydrophobicContact CG2-CG2 3.52Å; V41-I140 PolarHBondContact N-O 3.43Å; V41-L141 HydrophobicContact CB-CD1 4.18Å; V41-L141 HydrophobicContact CG1-CD1 4.07Å; V41-I142 PolarHBondContact O-N 2.9Å; V41-F179 HydrophobicContact CG1-CE2 4.27Å; V41-F179 HydrophobicContact CG2-CE2 4.49Å; V41-F179 HydrophobicContact CG2-CZ 4.24Å
42I98.9Very high97Very high0 Ų027 Ų270%017%0.165CC..EExtended strand (participates in β ladder)trans-121.5119.5177.5-53.3176.9000109.6A45 F53 A54 F57 L64 V65 L66 W67 I142I42-A45 HydrophobicContact CB-CB 4.28Å; I42-A45 HydrophobicContact CG2-CB 4.14Å; I42-F53 HydrophobicContact CD1-CB 4.07Å; I42-A54 HydrophobicContact CD1-CB 3.95Å; I42-F57 HydrophobicContact CD1-CD2 4.16Å; I42-L64 HydrophobicContact CD1-CD2 3.83Å; I42-V65 PolarHBondContact N-O 3.11Å; I42-L66 HydrophobicContact CB-CD2 4.45Å; I42-L66 HydrophobicContact CD1-CD2 4.36Å; I42-W67 PolarHBondContact O-N 3.02Å; I42-I142 HydrophobicContact CB-CB 4.43Å; I42-I142 HydrophobicContact CG1-CB 4.15Å; I42-I142 HydrophobicContact CG1-CG1 3.91Å; I42-I142 HydrophobicContact CG2-CB 4.3Å; I42-I142 HydrophobicContact CG2-CG2 4.47Å
43T98.8Very high97.2Very high4 Ų422.8 Ų22.83%0.02515%0.145CC..EExtended strand (participates in β ladder)trans-88.8143.4174.8590000111.5A45 W67 V118 I142 N144 A145 T175T43-A45 VanDerWaalsContact C-N 3.29Å; T43-W67 CarbonylContact C-O 3.55Å; T43-W67 HydrophobicContact CG2-CB 4.49Å; T43-W67 HydrophobicContact CG2-CE3 4.1Å; T43-V118 HydrophobicContact CG2-CG1 4.14Å; T43-I142 PolarHBondContact N-O 2.85Å; T43-I142 VanDerWaalsContact N-O 3.1Å; T43-I142 PolarHBondContact OG1-O 3.04Å; T43-N144 WeakPolarHBondContact O-CB 3.33Å; T43-N144 PolarHBondContact O-ND2 3.2Å; T43-N144 PolarHBondContact OG1-N 3.26Å; T43-A145 PolarHBondContact O-N 3.16Å; T43-A145 PolarHBondContact OG1-N 2.97Å; T43-A145 VanDerWaalsContact OG1-N 3.16Å; T43-T175 HydrophobicContact CG2-CG2 4.27Å
44G98.2Very high97.4Very high15 Ų1520.3 Ų20.316%0.15513%0.134CC..THydrogen-bonded Turntrans64.436.9-173.300000112G46 W67 D68 N144G44-G46 VanDerWaalsContact C-N 3.29Å; G44-G46 PolarHBondContact O-N 3.02Å; G44-W67 PolarHBondContact N-O 2.88Å; G44-D68 VanDerWaalsContact C-OD2 3.24Å; G44-D68 WeakPolarHBondContact CA-OD2 3.48Å; G44-N144 PolarHBondContact O-ND2 3.1Å
45A98.3Very high97.5Very high0 Ų018.9 Ų18.90%012%0.118CC..THydrogen-bonded Turntrans-72.3-19.8-173.300000113.6I42 T43 S47 R51 L66 W67 D68 T77I42-A45 HydrophobicContact CB-CB 4.28Å; I42-A45 HydrophobicContact CG2-CB 4.14Å; T43-A45 VanDerWaalsContact C-N 3.29Å; A45-S47 PolarHBondContact O-N 3.14Å; A45-S47 VanDerWaalsContact O-N 3.17Å; A45-R51 WeakPolarHBondContact O-CA 3.35Å; A45-R51 WeakPolarHBondContact O-CB 3.44Å; A45-R51 PolarHBondContact O-N 3.42Å; A45-R51 VanDerWaalsContact O-N 3.14Å; A45-L66 HydrophobicContact CB-CB 3.73Å; A45-L66 HydrophobicContact CB-CD2 3.97Å; A45-L66 HydrophobicContact CB-CG 4.33Å; A45-W67 PolarHBondContact N-O 3.24Å; A45-D68 PolarHBondContact N-OD2 3.02Å; A45-T77 WeakPolarHBondContact O-CG2 3.44Å; A45-T77 PolarHBondContact O-OG1 3.37Å
46G97.2Very high97.6Very high0 Ų019.7 Ų19.70%012%0.121CC..THydrogen-bonded Turntrans-70.5-12-172.200000114.5G44 R51 D68 S73G44-G46 VanDerWaalsContact C-N 3.29Å; G44-G46 PolarHBondContact O-N 3.02Å; G46-R51 VanDerWaalsContact O-CZ 3.27Å; G46-R51 PolarHBondContact O-NE 3.15Å; G46-R51 PolarHBondContact O-NH2 3.25Å; G46-D68 WeakPolarHBondContact CA-OD2 3.45Å; G46-D68 PolarHBondContact N-OD2 3.08Å; G46-S73 WeakPolarHBondContact CA-O 3.38Å; G46-S73 WeakPolarHBondContact O-CB 3.36Å
47S95.8Very high97.7Very high73 Ų7317 Ų1751%0.5111%0.105SC..SBendtrans-156.5177.1-17869.60000113.8A45 L49 G50 R51A45-S47 PolarHBondContact O-N 3.14Å; A45-S47 VanDerWaalsContact O-N 3.17Å; S47-L49 PolarHBondContact O-N 3.23Å; S47-G50 PolarHBondContact O-N 3.13Å; S47-R51 PolarHBondContact O-N 3.21Å; S47-R51 VanDerWaalsContact O-N 3.09Å
48G95.6Very high97.9Very high27 Ų2715.8 Ų15.828%0.2789%0.092SC..Hα-helixtrans53.3-132.3168.300000114.3L52G48-L52 WeakPolarHBondContact O-CG 3.44Å; G48-L52 PolarHBondContact O-N 3.23Å
49L96.8Very high97.9Very high20 Ų2019.9 Ų19.911%0.10511%0.107CC..Hα-helixtrans-66.8-36.3179.2-64.7-178.6000112.4S47 R51 L52 F53 V194 V245 T247 P268 C271 V272S47-L49 PolarHBondContact O-N 3.23Å; L49-R51 PolarHBondContact O-N 3.36Å; L49-L52 CarbonylContact O-C 3.54Å; L49-L52 PolarHBondContact O-N 2.88Å; L49-L52 VanDerWaalsContact O-N 3.14Å; L49-F53 HydrophobicContact CB-CD2 4.29Å; L49-F53 HydrophobicContact CB-CE2 4.21Å; L49-F53 WeakPolarHBondContact O-CD2 3.28Å; L49-F53 PolarHBondContact O-N 2.82Å; L49-V194 HydrophobicContact CD1-CG1 4.22Å; L49-V245 HydrophobicContact CD2-CG1 4.12Å; L49-T247 HydrophobicContact CD2-CG2 4.29Å; L49-T247 HydrophobicContact CG-CG2 4.19Å; L49-P268 HydrophobicContact CD2-CB 4.44Å; L49-C271 HydrophobicContact CD2-CB 4.25Å; L49-V272 HydrophobicContact CB-CG2 4.29Å; L49-V272 HydrophobicContact CD2-CG2 3.58Å
50G98Very high97.7Very high0 Ų022.4 Ų22.40%011%0.114CC..Hα-helixtrans-61.1-45.9-179.100000112.3S47 L52 F53 A54 N144S47-G50 PolarHBondContact O-N 3.13Å; G50-L52 VanDerWaalsContact C-N 3.28Å; G50-L52 PolarHBondContact O-N 3.01Å; G50-F53 PolarHBondContact O-N 3.06Å; G50-A54 PolarHBondContact O-N 3.43Å; G50-N144 VanDerWaalsContact CA-ND2 3.33Å; G50-N144 WeakPolarHBondContact CA-ND2 3.38Å; G50-N144 PolarHBondContact N-ND2 2.89Å
51R98.4Very high97.5Very high54 Ų5426.1 Ų26.120%0.20413%0.129CC..Hα-helixtrans-58.4-41173.8179178.2-69.6-166.9-4.8112A45 G46 S47 L49 A54 K55 S73 E76 T77 M80A45-R51 WeakPolarHBondContact O-CA 3.35Å; A45-R51 WeakPolarHBondContact O-CB 3.44Å; A45-R51 PolarHBondContact O-N 3.42Å; A45-R51 VanDerWaalsContact O-N 3.14Å; G46-R51 VanDerWaalsContact O-CZ 3.27Å; G46-R51 PolarHBondContact O-NE 3.15Å; G46-R51 PolarHBondContact O-NH2 3.25Å; S47-R51 PolarHBondContact O-N 3.21Å; S47-R51 VanDerWaalsContact O-N 3.09Å; L49-R51 PolarHBondContact O-N 3.36Å; R51-A54 WeakPolarHBondContact O-CB 3.44Å; R51-A54 PolarHBondContact O-N 3.22Å; R51-K55 WeakPolarHBondContact O-CG 3.48Å; R51-K55 PolarHBondContact O-N 3.14Å; R51-K55 VanDerWaalsContact O-N 3.11Å; R51-S73 PolarHBondContact NH2-O 2.88Å; R51-E76 IonicContact CZ-OE2 2.72Å; R51-E76 IonicContact NH1-OE2 2.86Å; R51-E76 IonicContact NH2-OE2 2.94Å; R51-E76 PolarHBondContact NH2-OE2 2.95Å; R51-T77 HydrophobicContact CB-CG2 4.17Å; R51-T77 HydrophobicContact CG-CG2 3.86Å; R51-T77 PolarHBondContact NE-OG1 2.98Å; R51-M80 HydrophobicContact CG-SD 4.44Å
52L98.4Very high97.4Very high22 Ų2226.1 Ų26.112%0.11513%0.129CC..Hα-helixtrans-73.1-37.2-180-68.9175.7000112.5G48 L49 G50 A54 K55 E56 P268 V272G48-L52 WeakPolarHBondContact O-CG 3.44Å; G48-L52 PolarHBondContact O-N 3.23Å; L49-L52 CarbonylContact O-C 3.54Å; L49-L52 PolarHBondContact O-N 2.88Å; L49-L52 VanDerWaalsContact O-N 3.14Å; G50-L52 VanDerWaalsContact C-N 3.28Å; G50-L52 PolarHBondContact O-N 3.01Å; L52-A54 VanDerWaalsContact C-N 3.34Å; L52-K55 HydrophobicContact CD2-CD 4.43Å; L52-K55 PolarHBondContact O-N 3.42Å; L52-E56 PolarHBondContact O-N 3.22Å; L52-P268 HydrophobicContact CD1-CB 3.28Å; L52-V272 HydrophobicContact CB-CB 4.15Å; L52-V272 HydrophobicContact CB-CG1 4.23Å; L52-V272 HydrophobicContact CB-CG2 3.6Å; L52-V272 HydrophobicContact CD1-CG2 4.27Å
53F98.7Very high97.4Very high1 Ų126.7 Ų26.70%0.00413%0.132CC..Hα-helixtrans-58.1-47.9169.6-82.7-64.4000110.5I42 L49 G50 K55 E56 F57 I142 V194 V272 A275 M276 I279I42-F53 HydrophobicContact CD1-CB 4.07Å; L49-F53 HydrophobicContact CB-CD2 4.29Å; L49-F53 HydrophobicContact CB-CE2 4.21Å; L49-F53 WeakPolarHBondContact O-CD2 3.28Å; L49-F53 PolarHBondContact O-N 2.82Å; G50-F53 PolarHBondContact O-N 3.06Å; F53-K55 VanDerWaalsContact C-N 3.32Å; F53-K55 PolarHBondContact O-N 2.92Å; F53-E56 PolarHBondContact O-N 3.46Å; F53-E56 VanDerWaalsContact O-N 3.13Å; F53-F57 HydrophobicContact CB-CD2 4.47Å; F53-F57 HydrophobicContact CD1-CE2 4.31Å; F53-F57 VanDerWaalsContact O-CD2 3.31Å; F53-F57 WeakPolarHBondContact O-CD2 3.45Å; F53-F57 PolarHBondContact O-N 3.46Å; F53-I142 HydrophobicContact CD2-CG2 4.38Å; F53-V194 HydrophobicContact CE2-CG2 3.89Å; F53-V194 HydrophobicContact CZ-CG2 4.25Å; F53-V272 HydrophobicContact CD1-CG1 3.76Å; F53-V272 HydrophobicContact CD2-CG2 4.37Å; F53-V272 HydrophobicContact CE1-CG1 4.03Å; F53-V272 HydrophobicContact CE2-CG2 4.34Å; F53-V272 HydrophobicContact CG-CG1 4.1Å; F53-A275 HydrophobicContact CE1-CB 3.67Å; F53-A275 HydrophobicContact CZ-CB 3.54Å; F53-M276 HydrophobicContact CD1-CG 4.16Å; F53-M276 HydrophobicContact CD1-SD 3.68Å; F53-M276 HydrophobicContact CE1-CG 4.28Å; F53-M276 HydrophobicContact CE1-SD 4.08Å; F53-I279 HydrophobicContact CD1-CD1 4.46Å; F53-I279 HydrophobicContact CE1-CD1 3.85Å
54A98.8Very high97.4Very high0 Ų026.5 Ų26.50%013%0.131CC..Hα-helixtrans-54.8-47.6177.200000111.4I42 G50 R51 L52 E56 F57 A58 L64 L66 T77 V81I42-A54 HydrophobicContact CD1-CB 3.95Å; G50-A54 PolarHBondContact O-N 3.43Å; R51-A54 WeakPolarHBondContact O-CB 3.44Å; R51-A54 PolarHBondContact O-N 3.22Å; L52-A54 VanDerWaalsContact C-N 3.34Å; A54-E56 PolarHBondContact O-N 3.14Å; A54-F57 PolarHBondContact O-N 3.44Å; A54-A58 VanDerWaalsContact O-CB 3.28Å; A54-A58 WeakPolarHBondContact O-CB 3.21Å; A54-A58 PolarHBondContact O-N 3.23Å; A54-L64 HydrophobicContact CB-CD1 4.37Å; A54-L64 WeakPolarHBondContact O-CD1 3.33Å; A54-L66 HydrophobicContact CB-CD2 3.73Å; A54-T77 HydrophobicContact CB-CG2 3.88Å; A54-V81 HydrophobicContact CB-CG2 4.03Å
55K98.5Very high97.4Very high52 Ų5225.8 Ų25.823%0.22612%0.123CC..Hα-helixtrans-61.6-41.7176.8-68.7172.665.3177.50113.2R51 L52 F53 A58 R59 M80 I84R51-K55 WeakPolarHBondContact O-CG 3.48Å; R51-K55 PolarHBondContact O-N 3.14Å; R51-K55 VanDerWaalsContact O-N 3.11Å; L52-K55 HydrophobicContact CD2-CD 4.43Å; L52-K55 PolarHBondContact O-N 3.42Å; F53-K55 VanDerWaalsContact C-N 3.32Å; F53-K55 PolarHBondContact O-N 2.92Å; K55-A58 PolarHBondContact O-N 2.85Å; K55-R59 WeakPolarHBondContact O-CG 3.14Å; K55-R59 PolarHBondContact O-N 3.38Å; K55-R59 VanDerWaalsContact O-N 3.14Å; K55-M80 HydrophobicContact CD-SD 4.32Å; K55-I84 HydrophobicContact CB-CD1 3.8Å; K55-I84 HydrophobicContact CG-CD1 3.86Å
56E98.2Very high97.4Very high18 Ų1825.8 Ų25.88%0.08412%0.123CC..Hα-helixtrans-70.7-36.9179.9-75.3-63.6140.400113.3L52 F53 A54 R59 R60 V272 M276L52-E56 PolarHBondContact O-N 3.22Å; F53-E56 PolarHBondContact O-N 3.46Å; F53-E56 VanDerWaalsContact O-N 3.13Å; A54-E56 PolarHBondContact O-N 3.14Å; E56-R59 IonicContact OE1-CZ 3.97Å; E56-R59 IonicContact OE1-NH1 3.2Å; E56-R59 PolarHBondContact OE1-NH1 3.45Å; E56-R60 PolarHBondContact O-NH1 3.44Å; E56-R60 IonicContact OE2-CZ 3.93Å; E56-R60 IonicContact OE2-NH1 2.65Å; E56-R60 PolarHBondContact OE2-NH1 2.93Å; E56-R60 IonicContact OE2-NH2 3.82Å; E56-V272 HydrophobicContact CB-CG1 4.37Å; E56-V272 HydrophobicContact CG-CG1 3.85Å; E56-M276 HydrophobicContact CB-CE 4.3Å; E56-M276 HydrophobicContact CB-CG 3.71Å; E56-M276 HydrophobicContact CB-SD 4.16Å; E56-M276 HydrophobicContact CG-CG 4.14Å
57F98.1Very high97.5Very high0 Ų025.9 Ų25.90%012%0.124CC..Hα-helixtrans-69.5-35.8171.7-83.9-73000111.8V35 I42 F53 A54 R59 R60 R61 A62 L64 I140 I142 M276 I279V35-F57 HydrophobicContact CG1-CE1 4.32Å; V35-F57 HydrophobicContact CG2-CD1 4.04Å; V35-F57 HydrophobicContact CG2-CE1 4.37Å; I42-F57 HydrophobicContact CD1-CD2 4.16Å; F53-F57 HydrophobicContact CB-CD2 4.47Å; F53-F57 HydrophobicContact CD1-CE2 4.31Å; F53-F57 VanDerWaalsContact O-CD2 3.31Å; F53-F57 WeakPolarHBondContact O-CD2 3.45Å; F53-F57 PolarHBondContact O-N 3.46Å; A54-F57 PolarHBondContact O-N 3.44Å; F57-R59 PolarHBondContact O-N 3.4Å; F57-R60 CarbonylContact O-C 3.45Å; F57-R60 WeakPolarHBondContact O-CA 3.33Å; F57-R60 PolarHBondContact O-N 3.31Å; F57-R61 PolarHBondContact O-N 3.35Å; F57-A62 HydrophobicContact CB-CB 4.18Å; F57-A62 HydrophobicContact CD1-CB 4.16Å; F57-A62 PolarHBondContact O-N 2.73Å; F57-L64 HydrophobicContact CB-CD1 4.43Å; F57-L64 HydrophobicContact CB-CD2 3.75Å; F57-L64 HydrophobicContact CG-CD2 4.48Å; F57-I140 HydrophobicContact CE1-CD1 3.77Å; F57-I140 HydrophobicContact CZ-CD1 4.35Å; F57-I140 HydrophobicContact CZ-CG2 4.23Å; F57-I142 HydrophobicContact CE2-CD1 3.91Å; F57-I142 HydrophobicContact CE2-CG1 4.05Å; F57-I142 HydrophobicContact CZ-CD1 4Å; F57-M276 HydrophobicContact CD1-CE 3.89Å; F57-M276 HydrophobicContact CD2-CE 3.98Å; F57-M276 HydrophobicContact CD2-SD 3.78Å; F57-M276 HydrophobicContact CE1-CE 3.79Å; F57-M276 HydrophobicContact CE1-SD 4.41Å; F57-M276 HydrophobicContact CE2-CE 3.89Å; F57-M276 HydrophobicContact CE2-SD 3.46Å; F57-M276 WeakPolarHBondContact CE2-SD 3.33Å; F57-M276 HydrophobicContact CG-CE 3.97Å; F57-M276 HydrophobicContact CG-SD 4.38Å; F57-M276 HydrophobicContact CZ-CE 3.79Å; F57-M276 HydrophobicContact CZ-SD 3.81Å; F57-I279 HydrophobicContact CZ-CD1 4.42Å; F57-I279 HydrophobicContact CZ-CG2 4.18Å
58A97.3Very high97.6Very high0 Ų023.2 Ų23.20%010%0.104CC..Hα-helixtrans-60.8-44.9176.300000111.8A54 K55 R60 R61 L64 V81 I84 Y85A54-A58 VanDerWaalsContact O-CB 3.28Å; A54-A58 WeakPolarHBondContact O-CB 3.21Å; A54-A58 PolarHBondContact O-N 3.23Å; K55-A58 PolarHBondContact O-N 2.85Å; A58-R60 PolarHBondContact O-N 3.18Å; A58-R61 PolarHBondContact O-N 3.13Å; A58-L64 HydrophobicContact CB-CD1 3.83Å; A58-V81 HydrophobicContact CB-CB 4.37Å; A58-V81 HydrophobicContact CB-CG1 3.89Å; A58-V81 HydrophobicContact CB-CG2 4.17Å; A58-I84 HydrophobicContact CB-CB 4.19Å; A58-I84 HydrophobicContact CB-CD1 4.24Å; A58-I84 HydrophobicContact CB-CG2 3.84Å; A58-Y85 HydrophobicContact CB-CD1 4.3Å; A58-Y85 HydrophobicContact CB-CE1 3.74Å; A58-Y85 WeakPolarHBondContact O-CE1 3.38Å
59R95.6Very high97.8Very high117 Ų11726.2 Ų26.244%0.44211%0.112SC..THydrogen-bonded Turntrans-60.3-18.4174.4-69.8-174.6-172.2112.4-1.7113.7K55 E56 F57 I84K55-R59 WeakPolarHBondContact O-CG 3.14Å; K55-R59 PolarHBondContact O-N 3.38Å; K55-R59 VanDerWaalsContact O-N 3.14Å; E56-R59 IonicContact OE1-CZ 3.97Å; E56-R59 IonicContact OE1-NH1 3.2Å; E56-R59 PolarHBondContact OE1-NH1 3.45Å; F57-R59 PolarHBondContact O-N 3.4Å; R59-I84 HydrophobicContact CB-CG2 4.43Å; R59-I84 HydrophobicContact CG-CG2 3.71Å
60R94.9Very high97.8Very high67 Ų6728.9 Ų28.925%0.25313%0.127SC..THydrogen-bonded Turntrans-104.214.2177.5-65.5170.9175.677.8-3.3112.5V35 T36 E56 F57 A58 A62V35-R60 HydrophobicContact CG2-CB 3.51Å; V35-R60 HydrophobicContact CG2-CG 4.43Å; T36-R60 WeakPolarHBondContact CA-O 3.38Å; T36-R60 PolarHBondContact OG1-O 2.89Å; E56-R60 PolarHBondContact O-NH1 3.44Å; E56-R60 IonicContact OE2-CZ 3.93Å; E56-R60 IonicContact OE2-NH1 2.65Å; E56-R60 PolarHBondContact OE2-NH1 2.93Å; E56-R60 IonicContact OE2-NH2 3.82Å; F57-R60 CarbonylContact O-C 3.45Å; F57-R60 WeakPolarHBondContact O-CA 3.33Å; F57-R60 PolarHBondContact O-N 3.31Å; A58-R60 PolarHBondContact O-N 3.18Å; R60-A62 PolarHBondContact O-N 2.89Å
61R94.9Very high97.8Very high79 Ų7932.4 Ų32.430%0.29815%0.152SC..THydrogen-bonded Turntrans5731.2173.6-61.5-179.9162.3179.7-5.6114.3T36 G37 F57 A58 T88T36-R61 HydrophobicContact CG2-CB 4.01Å; G37-R61 PolarHBondContact N-O 3.2Å; F57-R61 PolarHBondContact O-N 3.35Å; A58-R61 PolarHBondContact O-N 3.13Å; R61-T88 PolarHBondContact NH2-O 3.05Å
62A96.6Very high97.8Very high0 Ų036.2 Ų36.20%017%0.172CC..  trans-69.5156166.400000110.4V35 F57 R60 Y85V35-A62 HydrophobicContact CG2-CB 4.39Å; V35-A62 WeakPolarHBondContact O-CA 3.14Å; F57-A62 HydrophobicContact CB-CB 4.18Å; F57-A62 HydrophobicContact CD1-CB 4.16Å; F57-A62 PolarHBondContact O-N 2.73Å; R60-A62 PolarHBondContact O-N 2.89Å; A62-Y85 PolarHBondContact O-OH 3.18Å
63V97.8Very high97.8Very high12 Ų1236.1 Ų36.17%0.07317%0.173CC..EExtended strand (participates in β ladder)trans-80.5130.3163.8-179.50000108.1Q38 V39 C40 F107 Q110 Y112 V135Q38-V63 PolarHBondContact O-N 3.22Å; V39-V63 HydrophobicContact CG2-CB 4.21Å; V39-V63 HydrophobicContact CG2-CG1 4.45Å; C40-V63 PolarHBondContact N-O 3.07Å; V63-F107 HydrophobicContact CG2-CE1 4.25Å; V63-F107 HydrophobicContact CG2-CE2 4.34Å; V63-F107 HydrophobicContact CG2-CZ 3.44Å; V63-F107 VanDerWaalsContact CG2-CZ 3.44Å; V63-Q110 WeakPolarHBondContact CA-O 3.27Å; V63-Y112 HydrophobicContact CG1-CD2 4.23Å; V63-Y112 HydrophobicContact CG1-CE2 3.95Å; V63-V135 HydrophobicContact CG1-CG1 3.95Å
64L98.7Very high97.7Very high0 Ų036.1 Ų36.10%017%0.173CC..EExtended strand (participates in β ladder)trans-109.7132.3-174.7-73.3173.2000112.6C40 I42 A54 F57 A58 L66 V81 Y85 Q110 V111 Y112C40-L64 HydrophobicContact CB-CD2 4.04Å; I42-L64 HydrophobicContact CD1-CD2 3.83Å; A54-L64 HydrophobicContact CB-CD1 4.37Å; A54-L64 WeakPolarHBondContact O-CD1 3.33Å; F57-L64 HydrophobicContact CB-CD1 4.43Å; F57-L64 HydrophobicContact CB-CD2 3.75Å; F57-L64 HydrophobicContact CG-CD2 4.48Å; A58-L64 HydrophobicContact CB-CD1 3.83Å; L64-L66 HydrophobicContact CB-CD2 4.1Å; L64-V81 HydrophobicContact CD1-CB 4.43Å; L64-V81 HydrophobicContact CD1-CG1 3.67Å; L64-V81 HydrophobicContact CD1-CG2 3.82Å; L64-Y85 WeakPolarHBondContact CD1-OH 3.25Å; L64-Y85 WeakPolarHBondContact CG-OH 3.06Å; L64-Q110 PolarHBondContact N-O 3.42Å; L64-V111 HydrophobicContact CB-CB 4.31Å; L64-V111 HydrophobicContact CB-CG2 3.99Å; L64-V111 CarbonylContact O-C 3.59Å; L64-V111 VanDerWaalsContact O-CA 3.31Å; L64-V111 WeakPolarHBondContact O-CA 3.44Å; L64-Y112 PolarHBondContact O-N 3.39Å
65V98.8Very high97.7Very high0 Ų038.8 Ų38.80%019%0.185CC..EExtended strand (participates in β ladder)trans-120.6105.7173.3176.60000107.6V39 C40 V41 I42 Y112 Y114 V131 V135V39-V65 HydrophobicContact CG1-CG2 4.04Å; C40-V65 PolarHBondContact O-N 2.97Å; V41-V65 CarbonylContact C-O 3.59Å; V41-V65 WeakPolarHBondContact CA-O 3.13Å; V41-V65 HydrophobicContact CB-CB 4.46Å; V41-V65 HydrophobicContact CG2-CB 3.84Å; V41-V65 HydrophobicContact CG2-CG1 3.93Å; V41-V65 HydrophobicContact CG2-CG2 4.45Å; I42-V65 PolarHBondContact N-O 3.11Å; V65-Y112 HydrophobicContact CG2-CD2 4.47Å; V65-Y114 HydrophobicContact CG1-CD2 3.78Å; V65-Y114 HydrophobicContact CG1-CE2 3.78Å; V65-V131 HydrophobicContact CG1-CG1 4.07Å; V65-V131 HydrophobicContact CG1-CG2 3.59Å; V65-V131 HydrophobicContact CG2-CG1 4.22Å; V65-V135 HydrophobicContact CG2-CB 4.36Å; V65-V135 HydrophobicContact CG2-CG1 3.93Å; V65-V135 HydrophobicContact CG2-CG2 4.05Å
66L98.9Very high97.7Very high0 Ų039.7 Ų39.70%019%0.19CC..EExtended strand (participates in β ladder)trans-100.6118.2-170.7-52.3-176000110.3I42 A45 A54 L64 N74 T77 A78 V111 Y112 T113 Y114I42-L66 HydrophobicContact CB-CD2 4.45Å; I42-L66 HydrophobicContact CD1-CD2 4.36Å; A45-L66 HydrophobicContact CB-CB 3.73Å; A45-L66 HydrophobicContact CB-CD2 3.97Å; A45-L66 HydrophobicContact CB-CG 4.33Å; A54-L66 HydrophobicContact CB-CD2 3.73Å; L64-L66 HydrophobicContact CB-CD2 4.1Å; L66-N74 WeakPolarHBondContact CB-OD1 3.36Å; L66-N74 PolarHBondContact O-ND2 3.17Å; L66-T77 HydrophobicContact CD1-CG2 3.84Å; L66-A78 HydrophobicContact CD1-CB 4.09Å; L66-V111 HydrophobicContact CD1-CG2 3.66Å; L66-V111 HydrophobicContact CG-CG2 3.88Å; L66-Y112 PolarHBondContact N-O 2.86Å; L66-T113 HydrophobicContact CB-CG2 4.36Å; L66-T113 HydrophobicContact CD1-CG2 4.47Å; L66-Y114 PolarHBondContact O-N 3.1Å
67W98.8Very high97.8Very high1 Ų138.9 Ų38.90%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-108.9125.2177.4-72.416.5000110.1V41 I42 T43 G44 A45 Y114 C116 V118 V124 T127 A128 V131 T175 F179V41-W67 HydrophobicContact CG1-CD2 4.21Å; V41-W67 HydrophobicContact CG1-CG 4.41Å; I42-W67 PolarHBondContact O-N 3.02Å; T43-W67 CarbonylContact C-O 3.55Å; T43-W67 HydrophobicContact CG2-CB 4.49Å; T43-W67 HydrophobicContact CG2-CE3 4.1Å; G44-W67 PolarHBondContact N-O 2.88Å; A45-W67 PolarHBondContact N-O 3.24Å; W67-Y114 AromaticContact NE1-CD2 3.79Å; W67-C116 HydrophobicContact CB-CB 4.19Å; W67-C116 HydrophobicContact CD2-CB 4.03Å; W67-C116 HydrophobicContact CE3-CB 3.94Å; W67-C116 HydrophobicContact CG-CB 4.15Å; W67-V118 HydrophobicContact CE3-CG1 4.45Å; W67-V124 HydrophobicContact CZ3-CG1 4.18Å; W67-T127 HydrophobicContact CD2-CG2 4.08Å; W67-T127 VanDerWaalsContact CE2-CG2 3.42Å; W67-T127 HydrophobicContact CH2-CG2 4.09Å; W67-T127 HydrophobicContact CZ2-CG2 3.44Å; W67-T127 VanDerWaalsContact CZ2-CG2 3.44Å; W67-A128 HydrophobicContact CH2-CB 4.06Å; W67-A128 HydrophobicContact CZ2-CB 4.45Å; W67-V131 HydrophobicContact CZ2-CG2 3.85Å; W67-T175 HydrophobicContact CZ3-CG2 4.27Å; W67-F179 AromaticContact CH2-CE2 3.94Å; W67-F179 HydrophobicContact CH2-CE2 3.94Å; W67-F179 AromaticContact CH2-CZ 3.7Å; W67-F179 HydrophobicContact CH2-CZ 3.7Å; W67-F179 HydrophobicContact CZ2-CE2 4.28Å; W67-F179 AromaticContact CZ2-CZ 3.7Å; W67-F179 HydrophobicContact CZ2-CZ 3.7Å
68D98.7Very high97.8Very high17 Ų1738.9 Ų38.99%0.09119%0.186CC..EExtended strand (participates in β ladder)trans-149157.1169.9-153.6-77.6000110.3G44 A45 G46 N70 N74 Y114 V115 C116G44-D68 VanDerWaalsContact C-OD2 3.24Å; G44-D68 WeakPolarHBondContact CA-OD2 3.48Å; A45-D68 PolarHBondContact N-OD2 3.02Å; G46-D68 WeakPolarHBondContact CA-OD2 3.45Å; G46-D68 PolarHBondContact N-OD2 3.08Å; D68-N70 VanDerWaalsContact C-N 3.32Å; D68-N70 PolarHBondContact OD1-N 2.64Å; D68-N74 HydrophobicContact CB-CB 3.81Å; D68-N74 PolarHBondContact N-ND2 3.04Å; D68-Y114 PolarHBondContact N-O 2.92Å; D68-V115 CarbonylContact O-C 3.59Å; D68-V115 VanDerWaalsContact O-CA 3.32Å; D68-V115 WeakPolarHBondContact O-CA 3.29Å; D68-C116 CarbonylContact C-O 3.5Å; D68-C116 PolarHBondContact O-N 3.07Å
69I98Very high97.8Very high90 Ų9044.5 Ų44.546%0.46221%0.213SC..SBendtrans-75.4-27.8174.2-166.3171.3000111.2D117I69-D117 HydrophobicContact CD1-CB 3.99Å; I69-D117 HydrophobicContact CG1-CB 4.19Å
70N98.1Very high98Very high77 Ų7741.8 Ų41.841%0.41221%0.206SC..  trans-95.7109.8178.4-176.8-44000110D68 Q72 S73 N74D68-N70 VanDerWaalsContact C-N 3.32Å; D68-N70 PolarHBondContact OD1-N 2.64Å; N70-Q72 VanDerWaalsContact C-N 3.33Å; N70-Q72 PolarHBondContact O-N 2.8Å; N70-Q72 WeakPolarHBondContact OD1-CB 3.28Å; N70-Q72 PolarHBondContact OD1-N 2.94Å; N70-S73 WeakPolarHBondContact CB-OG 3.45Å; N70-S73 PolarHBondContact O-OG 3.18Å; N70-S73 PolarHBondContact OD1-N 2.91Å; N70-S73 PolarHBondContact OD1-OG 3.45Å; N70-N74 VanDerWaalsContact O-CB 3.28Å; N70-N74 WeakPolarHBondContact O-CB 3.35Å; N70-N74 PolarHBondContact O-N 3.39Å; N70-N74 VanDerWaalsContact O-N 3.14Å
71S97.6Very high98.1Very high74 Ų7438.6 Ų38.652%0.51719%0.194SC..Hα-helixtrans-61.7-38.9-178.8580000113.2E75S71-E75 WeakPolarHBondContact O-CB 3.22Å; S71-E75 PolarHBondContact O-N 2.85Å
72Q98.2Very high98.2Very high134 Ų13439 Ų3963%0.62620%0.195SC*.Hα-helixtrans-67.5-51.9-176.6-178-179.4-1.300111.2N70 N74 E75 E76N70-Q72 VanDerWaalsContact C-N 3.33Å; N70-Q72 PolarHBondContact O-N 2.8Å; N70-Q72 WeakPolarHBondContact OD1-CB 3.28Å; N70-Q72 PolarHBondContact OD1-N 2.94Å; Q72-N74 VanDerWaalsContact C-N 3.25Å; Q72-N74 PolarHBondContact O-N 2.98Å; Q72-E75 PolarHBondContact O-N 3.04Å; Q72-E76 WeakPolarHBondContact O-CG 3.37Å; Q72-E76 PolarHBondContact O-N 2.99Å
73S98Very high98.2Very high19 Ų1944.5 Ų44.513%0.13322%0.221CC..Hα-helixtrans-68.6-27.1-179.568.70000112.7G46 R51 N70 T77G46-S73 WeakPolarHBondContact CA-O 3.38Å; G46-S73 WeakPolarHBondContact O-CB 3.36Å; R51-S73 PolarHBondContact NH2-O 2.88Å; N70-S73 WeakPolarHBondContact CB-OG 3.45Å; N70-S73 PolarHBondContact O-OG 3.18Å; N70-S73 PolarHBondContact OD1-N 2.91Å; N70-S73 PolarHBondContact OD1-OG 3.45Å; S73-T77 PolarHBondContact O-N 3.31Å; S73-T77 PolarHBondContact O-OG1 2.79Å
74N98.1Very high98.1Very high1 Ų144.5 Ų44.51%0.00522%0.221CC..Hα-helixtrans-66.7-46171.3-155.917.8000111.1L66 D68 N70 Q72 T77 A78 Y114L66-N74 WeakPolarHBondContact CB-OD1 3.36Å; L66-N74 PolarHBondContact O-ND2 3.17Å; D68-N74 HydrophobicContact CB-CB 3.81Å; D68-N74 PolarHBondContact N-ND2 3.04Å; N70-N74 VanDerWaalsContact O-CB 3.28Å; N70-N74 WeakPolarHBondContact O-CB 3.35Å; N70-N74 PolarHBondContact O-N 3.39Å; N70-N74 VanDerWaalsContact O-N 3.14Å; Q72-N74 VanDerWaalsContact C-N 3.25Å; Q72-N74 PolarHBondContact O-N 2.98Å; N74-T77 WeakPolarHBondContact O-CB 3.49Å; N74-T77 PolarHBondContact O-N 2.88Å; N74-T77 VanDerWaalsContact O-N 3.14Å; N74-A78 PolarHBondContact O-N 3.38Å; N74-Y114 PolarHBondContact ND2-O 3.41Å
75E98.5Very high97.9Very high57 Ų5745 Ų4527%0.26622%0.222SC..Hα-helixtrans-67-39.6178.3-165.657.5-146.900112.1S71 Q72 T77 A78 E79 R82 T113S71-E75 WeakPolarHBondContact O-CB 3.22Å; S71-E75 PolarHBondContact O-N 2.85Å; Q72-E75 PolarHBondContact O-N 3.04Å; E75-T77 PolarHBondContact O-N 2.97Å; E75-A78 CarbonylContact O-C 3.56Å; E75-A78 WeakPolarHBondContact O-CA 3.28Å; E75-A78 WeakPolarHBondContact O-CB 3.29Å; E75-A78 PolarHBondContact O-N 3.24Å; E75-E79 WeakPolarHBondContact O-CG 3.48Å; E75-E79 PolarHBondContact O-N 3.07Å; E75-R82 IonicContact OE1-CZ 3.59Å; E75-R82 IonicContact OE1-NH1 3.92Å; E75-R82 PolarHBondContact OE1-NH1 3.27Å; E75-R82 IonicContact OE1-NH2 3.83Å; E75-R82 PolarHBondContact OE1-NH2 2.94Å; E75-R82 IonicContact OE2-NH2 3.79Å; E75-T113 WeakPolarHBondContact OE2-CG2 3.42Å; E75-T113 PolarHBondContact OE2-OG1 3.2Å
76E98.6Very high97.5Very high71 Ų7150.9 Ų50.933%0.33225%0.25SC..Hα-helixtrans-54.5-40.2170.1-72.7171.1-168.600111.8R51 Q72 M80R51-E76 IonicContact CZ-OE2 2.72Å; R51-E76 IonicContact NH1-OE2 2.86Å; R51-E76 IonicContact NH2-OE2 2.94Å; R51-E76 PolarHBondContact NH2-OE2 2.95Å; Q72-E76 WeakPolarHBondContact O-CG 3.37Å; Q72-E76 PolarHBondContact O-N 2.99Å; E76-M80 WeakPolarHBondContact O-CG 3.17Å; E76-M80 PolarHBondContact O-N 3.5Å
77T98.8Very high97Very high0 Ų056.5 Ų56.50%028%0.276CS..Hα-helixtrans-68.9-40177.1-580000110.9A45 R51 A54 L66 S73 N74 E75 M80 V81A45-T77 WeakPolarHBondContact O-CG2 3.44Å; A45-T77 PolarHBondContact O-OG1 3.37Å; R51-T77 HydrophobicContact CB-CG2 4.17Å; R51-T77 HydrophobicContact CG-CG2 3.86Å; R51-T77 PolarHBondContact NE-OG1 2.98Å; A54-T77 HydrophobicContact CB-CG2 3.88Å; L66-T77 HydrophobicContact CD1-CG2 3.84Å; S73-T77 PolarHBondContact O-N 3.31Å; S73-T77 PolarHBondContact O-OG1 2.79Å; N74-T77 WeakPolarHBondContact O-CB 3.49Å; N74-T77 PolarHBondContact O-N 2.88Å; N74-T77 VanDerWaalsContact O-N 3.14Å; E75-T77 PolarHBondContact O-N 2.97Å; T77-M80 PolarHBondContact O-N 3.19Å; T77-V81 WeakPolarHBondContact O-CG2 3.42Å; T77-V81 PolarHBondContact O-N 2.88Å
78A98.6Very high95.9Very high0 Ų058.8 Ų58.80%029%0.29CS..Hα-helixtrans-63.3-40.117500000112.5L66 N74 E75 M80 V81 R82 V111 T113L66-A78 HydrophobicContact CD1-CB 4.09Å; N74-A78 PolarHBondContact O-N 3.38Å; E75-A78 CarbonylContact O-C 3.56Å; E75-A78 WeakPolarHBondContact O-CA 3.28Å; E75-A78 WeakPolarHBondContact O-CB 3.29Å; E75-A78 PolarHBondContact O-N 3.24Å; A78-M80 PolarHBondContact O-N 2.88Å; A78-V81 CarbonylContact O-C 3.48Å; A78-V81 WeakPolarHBondContact O-CB 3.37Å; A78-V81 PolarHBondContact O-N 2.93Å; A78-V81 VanDerWaalsContact O-N 3.12Å; A78-R82 WeakPolarHBondContact O-CG 3.23Å; A78-R82 PolarHBondContact O-N 3.16Å; A78-V111 HydrophobicContact CB-CG1 4.29Å; A78-V111 HydrophobicContact CB-CG2 3.97Å; A78-T113 HydrophobicContact CB-CG2 3.42Å; A78-T113 VanDerWaalsContact CB-CG2 3.42Å
79E98.4Very high94.4Very high118 Ų11861.8 Ų61.855%0.55130%0.304SS*.Hα-helixtrans-59.4-44.9173.9-71.9176175.900111.8E75 V81 R82 Q83E75-E79 WeakPolarHBondContact O-CG 3.48Å; E75-E79 PolarHBondContact O-N 3.07Å; E79-V81 VanDerWaalsContact C-N 3.26Å; E79-V81 PolarHBondContact O-N 2.87Å; E79-R82 PolarHBondContact O-N 2.72Å; E79-Q83 PolarHBondContact O-N 3.47Å
80M98.3Very high92.1Very high61 Ų6162.1 Ų62.130%0.331%0.31SS..Hα-helixtrans-60.4-38174.2-65.8179-16000112R51 K55 E76 T77 A78 I84R51-M80 HydrophobicContact CG-SD 4.44Å; K55-M80 HydrophobicContact CD-SD 4.32Å; E76-M80 WeakPolarHBondContact O-CG 3.17Å; E76-M80 PolarHBondContact O-N 3.5Å; T77-M80 PolarHBondContact O-N 3.19Å; A78-M80 PolarHBondContact O-N 2.88Å; M80-I84 WeakPolarHBondContact O-CG1 3.23Å; M80-I84 PolarHBondContact O-N 3.43Å; M80-I84 VanDerWaalsContact O-N 3.11Å
81V98.3Very high89.7Confident0 Ų063.9 Ų63.90%033%0.326CS..Hα-helixtrans-67.5-45.5176.41660000111.2A54 A58 L64 T77 A78 E79 Q83 I84 Y85 V111A54-V81 HydrophobicContact CB-CG2 4.03Å; A58-V81 HydrophobicContact CB-CB 4.37Å; A58-V81 HydrophobicContact CB-CG1 3.89Å; A58-V81 HydrophobicContact CB-CG2 4.17Å; L64-V81 HydrophobicContact CD1-CB 4.43Å; L64-V81 HydrophobicContact CD1-CG1 3.67Å; L64-V81 HydrophobicContact CD1-CG2 3.82Å; T77-V81 WeakPolarHBondContact O-CG2 3.42Å; T77-V81 PolarHBondContact O-N 2.88Å; A78-V81 CarbonylContact O-C 3.48Å; A78-V81 WeakPolarHBondContact O-CB 3.37Å; A78-V81 PolarHBondContact O-N 2.93Å; A78-V81 VanDerWaalsContact O-N 3.12Å; E79-V81 VanDerWaalsContact C-N 3.26Å; E79-V81 PolarHBondContact O-N 2.87Å; V81-Q83 VanDerWaalsContact C-N 3.3Å; V81-Q83 PolarHBondContact O-N 3.2Å; V81-I84 WeakPolarHBondContact O-CB 3.31Å; V81-I84 PolarHBondContact O-N 2.92Å; V81-I84 VanDerWaalsContact O-N 3.16Å; V81-Y85 HydrophobicContact CG1-CD2 3.91Å; V81-Y85 HydrophobicContact CG1-CE1 4.34Å; V81-Y85 HydrophobicContact CG1-CE2 3.29Å; V81-Y85 PolarHBondContact O-N 3.35Å; V81-V111 HydrophobicContact CB-CB 4.38Å; V81-V111 HydrophobicContact CB-CG1 4.37Å; V81-V111 HydrophobicContact CB-CG2 4.21Å; V81-V111 HydrophobicContact CG1-CB 3.61Å; V81-V111 HydrophobicContact CG1-CG1 3.89Å; V81-V111 HydrophobicContact CG1-CG2 3.84Å
82R97.2Very high87.1Confident88 Ų8868 Ų6833%0.33234%0.34SS..Hα-helixtrans-59.6-41.7175.9-67.9-178.9-161.91141.1111.3E75 A78 E79 I84 Y85 H86 V111E75-R82 IonicContact OE1-CZ 3.59Å; E75-R82 IonicContact OE1-NH1 3.92Å; E75-R82 PolarHBondContact OE1-NH1 3.27Å; E75-R82 IonicContact OE1-NH2 3.83Å; E75-R82 PolarHBondContact OE1-NH2 2.94Å; E75-R82 IonicContact OE2-NH2 3.79Å; A78-R82 WeakPolarHBondContact O-CG 3.23Å; A78-R82 PolarHBondContact O-N 3.16Å; E79-R82 PolarHBondContact O-N 2.72Å; R82-I84 PolarHBondContact O-N 3.23Å; R82-Y85 PolarHBondContact O-N 2.86Å; R82-H86 PolarHBondContact O-CD2 3.44Å; R82-H86 PolarHBondContact O-N 2.87Å; R82-V111 HydrophobicContact CG-CG1 3.48Å; R82-V111 VanDerWaalsContact CG-CG1 3.48Å
83Q96.1Very high84.3Confident114 Ų11465.5 Ų65.553%0.53334%0.342SS..Hα-helixtrans-59.1-46.8174.7-174-175.3-12.900111.5E79 V81 Y85 H86 E87E79-Q83 PolarHBondContact O-N 3.47Å; V81-Q83 VanDerWaalsContact C-N 3.3Å; V81-Q83 PolarHBondContact O-N 3.2Å; Q83-Y85 VanDerWaalsContact C-N 3.33Å; Q83-Y85 PolarHBondContact O-N 3.4Å; Q83-H86 PolarHBondContact O-N 2.88Å; Q83-E87 WeakPolarHBondContact CG-OE1 3.49Å; Q83-E87 PolarHBondContact NE2-OE1 2.93Å; Q83-E87 WeakPolarHBondContact O-CG 3.44Å; Q83-E87 PolarHBondContact O-N 3.43Å
84I95.9Very high81.5Confident13 Ų1374.5 Ų74.57%0.06738%0.379CS..Hα-helixtrans-59.1-45.7176.3-69.8165.8000110.4K55 A58 R59 M80 V81 R82 H86 E87 T88K55-I84 HydrophobicContact CB-CD1 3.8Å; K55-I84 HydrophobicContact CG-CD1 3.86Å; A58-I84 HydrophobicContact CB-CB 4.19Å; A58-I84 HydrophobicContact CB-CD1 4.24Å; A58-I84 HydrophobicContact CB-CG2 3.84Å; R59-I84 HydrophobicContact CB-CG2 4.43Å; R59-I84 HydrophobicContact CG-CG2 3.71Å; M80-I84 WeakPolarHBondContact O-CG1 3.23Å; M80-I84 PolarHBondContact O-N 3.43Å; M80-I84 VanDerWaalsContact O-N 3.11Å; V81-I84 WeakPolarHBondContact O-CB 3.31Å; V81-I84 PolarHBondContact O-N 2.92Å; V81-I84 VanDerWaalsContact O-N 3.16Å; R82-I84 PolarHBondContact O-N 3.23Å; I84-H86 PolarHBondContact O-N 3.35Å; I84-E87 PolarHBondContact O-N 2.92Å; I84-T88 PolarHBondContact O-N 3.32Å; I84-T88 PolarHBondContact O-OG1 2.92Å
85Y94.3Very high78.8Confident9 Ų982.1 Ų82.14%0.03542%0.42CS..Hα-helixtrans-59.2-44.9178.1-65.6-32.4000112.4A58 A62 L64 V81 R82 Q83 E87 T88 E89 P109 V111A58-Y85 HydrophobicContact CB-CD1 4.3Å; A58-Y85 HydrophobicContact CB-CE1 3.74Å; A58-Y85 WeakPolarHBondContact O-CE1 3.38Å; A62-Y85 PolarHBondContact O-OH 3.18Å; L64-Y85 WeakPolarHBondContact CD1-OH 3.25Å; L64-Y85 WeakPolarHBondContact CG-OH 3.06Å; V81-Y85 HydrophobicContact CG1-CD2 3.91Å; V81-Y85 HydrophobicContact CG1-CE1 4.34Å; V81-Y85 HydrophobicContact CG1-CE2 3.29Å; V81-Y85 PolarHBondContact O-N 3.35Å; R82-Y85 PolarHBondContact O-N 2.86Å; Q83-Y85 VanDerWaalsContact C-N 3.33Å; Q83-Y85 PolarHBondContact O-N 3.4Å; Y85-E87 PolarHBondContact O-N 2.9Å; Y85-T88 CarbonylContact O-C 3.1Å; Y85-T88 PolarHBondContact O-N 2.83Å; Y85-T88 VanDerWaalsContact O-N 3.1Å; Y85-E89 WeakPolarHBondContact O-CG 3.49Å; Y85-E89 PolarHBondContact O-N 2.9Å; Y85-P109 HydrophobicContact CD1-CB 3.74Å; Y85-P109 HydrophobicContact CD1-CG 3.43Å; Y85-P109 VanDerWaalsContact CD1-CG 3.43Å; Y85-P109 HydrophobicContact CD2-CB 4.27Å; Y85-P109 HydrophobicContact CD2-CG 4.21Å; Y85-P109 WeakPolarHBondContact CD2-O 3.33Å; Y85-P109 HydrophobicContact CE1-CB 3.5Å; Y85-P109 VanDerWaalsContact CE1-CB 3.5Å; Y85-P109 HydrophobicContact CE1-CG 3.76Å; Y85-P109 HydrophobicContact CE2-CB 4.09Å; Y85-P109 HydrophobicContact CG-CB 4.13Å; Y85-P109 HydrophobicContact CG-CG 3.68Å; Y85-V111 HydrophobicContact CE2-CB 4.15Å; Y85-V111 HydrophobicContact CE2-CG1 4.44Å
86H90.6Very high75.9Confident125 Ų12582.6 Ų82.658%0.57944%0.44SS*.Hα-helixtrans-60.2-42.6175-71.4-48.1000113.1R82 Q83 I84 T88 E89 T90R82-H86 PolarHBondContact O-CD2 3.44Å; R82-H86 PolarHBondContact O-N 2.87Å; Q83-H86 PolarHBondContact O-N 2.88Å; I84-H86 PolarHBondContact O-N 3.35Å; H86-T88 VanDerWaalsContact C-N 3.25Å; H86-T88 PolarHBondContact O-N 3.22Å; H86-E89 IonicContact ND1-OE2 2.87Å; H86-E89 PolarHBondContact O-N 2.97Å; H86-T90 PolarHBondContact O-N 2.93Å; H86-T90 PolarHBondContact O-OG1 2.82Å; H86-T90 VanDerWaalsContact O-OG1 3.06Å
87E87.3Confident73.4Confident118 Ų11885.3 Ų85.355%0.55146%0.464SS*.Hα-helixtrans-62.8-34.1175.4-71.3171.6-169.800111.7Q83 I84 Y85Q83-E87 WeakPolarHBondContact CG-OE1 3.49Å; Q83-E87 PolarHBondContact NE2-OE1 2.93Å; Q83-E87 WeakPolarHBondContact O-CG 3.44Å; Q83-E87 PolarHBondContact O-N 3.43Å; I84-E87 PolarHBondContact O-N 2.92Å; Y85-E87 PolarHBondContact O-N 2.9Å
88T76.2Confident70.8Confident49 Ų4992.3 Ų92.330%0.30151%0.506SS..Hα-helixtrans-83.9-18.1-179.4-17.60000113.5R61 I84 Y85 H86R61-T88 PolarHBondContact NH2-O 3.05Å; I84-T88 PolarHBondContact O-N 3.32Å; I84-T88 PolarHBondContact O-OG1 2.92Å; Y85-T88 CarbonylContact O-C 3.1Å; Y85-T88 PolarHBondContact O-N 2.83Å; Y85-T88 VanDerWaalsContact O-N 3.1Å; H86-T88 VanDerWaalsContact C-N 3.25Å; H86-T88 PolarHBondContact O-N 3.22Å
89E67.6Low68Low80 Ų8095.9 Ų95.937%0.37454%0.543SS..Hα-helixtrans-81.6-23.1174.9-77.3179.1169.100112.9Y85 H86 P91Y85-E89 WeakPolarHBondContact O-CG 3.49Å; Y85-E89 PolarHBondContact O-N 2.9Å; H86-E89 IonicContact ND1-OE2 2.87Å; H86-E89 PolarHBondContact O-N 2.97Å; E89-P91 WeakPolarHBondContact O-CD 3.47Å
90T49.6Very low65.3Low96 Ų9694 Ų9459%0.58956%0.556SS**SBendtrans-68.8122.7177.5-48.90000109.2H86 I92H86-T90 PolarHBondContact O-N 2.93Å; H86-T90 PolarHBondContact O-OG1 2.82Å; H86-T90 VanDerWaalsContact O-OG1 3.06Å; T90-I92 PolarHBondContact O-N 3.43Å; T90-I92 VanDerWaalsContact O-N 3.15Å
91P48Very low62.6Low115 Ų11597.8 Ų97.875%0.74758%0.581SS**PPolyproline II helixtrans-59.2122.9176.8-18.529.3000109.4E89 A93E89-P91 WeakPolarHBondContact O-CD 3.47Å; P91-A93 PolarHBondContact O-N 3.45Å; P91-A93 VanDerWaalsContact O-N 3.13Å
92I43.8Very low59.9Low160 Ų160106.2 Ų106.282%0.82162%0.621SS**PPolyproline II helixtrans-55.9121.9165.4-59.8173.4000106T90 K94T90-I92 PolarHBondContact O-N 3.43Å; T90-I92 VanDerWaalsContact O-N 3.15Å; I92-K94 PolarHBondContact O-N 2.9Å; I92-K94 VanDerWaalsContact O-N 3.16Å
93A37.6Very low57.4Low81 Ų81111.2 Ų111.267%0.66965%0.648SS**PPolyproline II helixtrans-48.9124.6175.400000109.1P91 D95P91-A93 PolarHBondContact O-N 3.45Å; P91-A93 VanDerWaalsContact O-N 3.13Å; A93-D95 VanDerWaalsContact C-N 3.28Å; A93-D95 PolarHBondContact O-N 2.91Å
94K40.4Very low55.1Low208 Ų208109.3 Ų109.390%0.90464%0.644SS**  trans-67.383.2-179.8-74.6-178.5174.71780110.2I92I92-K94 PolarHBondContact O-N 2.9Å; I92-K94 VanDerWaalsContact O-N 3.16Å
95D41Very low52.9Low162 Ų162113.8 Ų113.887%0.86667%0.674SS**  trans-122.581.9164.5-77.7-31.6000109.5A93A93-D95 VanDerWaalsContact C-N 3.28Å; A93-D95 PolarHBondContact O-N 2.91Å
96G37.1Very low51Low67 Ų67119 Ų11969%0.69172%0.719SS**  trans170.7122.9171.900000112.1
97P45.6Very low49.8Very low127 Ų127116.9 Ų116.983%0.82571%0.708SS**  trans-81.9143.2176.533.1-30.3000110.8
98V45.1Very low49.4Very low148 Ų148118 Ų11890%0.89771%0.713SS**  trans91.4106.7162.7-163.10000117.5
99G39.1Very low49.7Very low75 Ų75116.2 Ų116.277%0.77370%0.703SS**  122.188.2120.100000118.1
100G41.6Very low50.9Low79 Ų79117.3 Ų117.381%0.81471%0.708SS**  trans82.481.9151.400000116.5
101V42.3Very low53.2Low139 Ų139113.6 Ų113.684%0.84269%0.685SS**  trans-99.5111.9163.5-170.40000106.7E103V101-E103 PolarHBondContact O-N 2.86Å
102E42.3Very low55.6Low178 Ų178111 Ų11183%0.83266%0.661SS**  trans-56119.9160.8-82.7177.9157.700107V104E102-V104 VanDerWaalsContact C-N 3.29Å; E102-V104 PolarHBondContact O-N 2.92Å
103E44Very low58.3Low193 Ų193105.7 Ų105.790%0.90264%0.636SS**  trans-60.595.5171.1-79.4-177.1160.500108.2V101V101-E103 PolarHBondContact O-N 2.86Å
104V48.8Very low61.2Low74 Ų74102.7 Ų102.745%0.44861%0.607SS.*  trans-65.6129.3171.4-174.70000106.5T36 E102T36-V104 HydrophobicContact CG2-CG1 4.23Å; E102-V104 VanDerWaalsContact C-N 3.29Å; E102-V104 PolarHBondContact O-N 2.92Å
105P48Very low63.9Low107 Ų10797 Ų9770%0.69559%0.59SS**  trans-49.7152.2175.9-24.632.3000111.1F107P105-F107 PolarHBondContact O-N 2.68Å
106A55.7Low66.7Low119 Ų11989.4 Ų89.498%0.98355%0.55SS*.SBendtrans-63.478.6174.100000110.4
107F65.1Low69.6Low80 Ų8088 Ų8835%0.35153%0.526SS..  trans-112.3116.1-178.3175.3-97000108V63 P105 P109V63-F107 HydrophobicContact CG2-CE1 4.25Å; V63-F107 HydrophobicContact CG2-CE2 4.34Å; V63-F107 HydrophobicContact CG2-CZ 3.44Å; V63-F107 VanDerWaalsContact CG2-CZ 3.44Å; P105-F107 PolarHBondContact O-N 2.68Å; F107-P109 HydrophobicContact CE1-CB 3.97Å; F107-P109 WeakPolarHBondContact O-CD 3.3Å
108Q77.8Confident72.1Confident141 Ų14182.5 Ų82.566%0.65949%0.49SS*.  trans-90.2111.1173.7-75.4-174.8-19.300108.9
109P82.6Confident74.6Confident12 Ų1276.4 Ų76.48%0.07846%0.458CS..  trans-66.4139.8176.729.7-34.5000110.2Y85 F107Y85-P109 HydrophobicContact CD1-CB 3.74Å; Y85-P109 HydrophobicContact CD1-CG 3.43Å; Y85-P109 VanDerWaalsContact CD1-CG 3.43Å; Y85-P109 HydrophobicContact CD2-CB 4.27Å; Y85-P109 HydrophobicContact CD2-CG 4.21Å; Y85-P109 WeakPolarHBondContact CD2-O 3.33Å; Y85-P109 HydrophobicContact CE1-CB 3.5Å; Y85-P109 VanDerWaalsContact CE1-CB 3.5Å; Y85-P109 HydrophobicContact CE1-CG 3.76Å; Y85-P109 HydrophobicContact CE2-CB 4.09Å; Y85-P109 HydrophobicContact CG-CB 4.13Å; Y85-P109 HydrophobicContact CG-CG 3.68Å; F107-P109 HydrophobicContact CE1-CB 3.97Å; F107-P109 WeakPolarHBondContact O-CD 3.3Å
110Q94.1Very high77.5Confident103 Ų10378.9 Ų78.948%0.48145%0.447SS..  trans-122.8155.3-175.8-65.6-175.857.800111V63 L64 Y112V63-Q110 WeakPolarHBondContact CA-O 3.27Å; L64-Q110 PolarHBondContact N-O 3.42Å; Q110-Y112 HydrophobicContact CB-CD2 4.49Å; Q110-Y112 HydrophobicContact CB-CE2 3.71Å; Q110-Y112 PolarHBondContact OE1-OH 3.22Å
111V98.2Very high80.2Confident18 Ų1881 Ų8111%0.10943%0.431CS..EExtended strand (participates in β ladder)trans-127.8130.9173.960.50000110.7L64 L66 A78 V81 R82 Y85L64-V111 HydrophobicContact CB-CB 4.31Å; L64-V111 HydrophobicContact CB-CG2 3.99Å; L64-V111 CarbonylContact O-C 3.59Å; L64-V111 VanDerWaalsContact O-CA 3.31Å; L64-V111 WeakPolarHBondContact O-CA 3.44Å; L66-V111 HydrophobicContact CD1-CG2 3.66Å; L66-V111 HydrophobicContact CG-CG2 3.88Å; A78-V111 HydrophobicContact CB-CG1 4.29Å; A78-V111 HydrophobicContact CB-CG2 3.97Å; V81-V111 HydrophobicContact CB-CB 4.38Å; V81-V111 HydrophobicContact CB-CG1 4.37Å; V81-V111 HydrophobicContact CB-CG2 4.21Å; V81-V111 HydrophobicContact CG1-CB 3.61Å; V81-V111 HydrophobicContact CG1-CG1 3.89Å; V81-V111 HydrophobicContact CG1-CG2 3.84Å; R82-V111 HydrophobicContact CG-CG1 3.48Å; R82-V111 VanDerWaalsContact CG-CG1 3.48Å; Y85-V111 HydrophobicContact CE2-CB 4.15Å; Y85-V111 HydrophobicContact CE2-CG1 4.44Å
112Y98.6Very high82.9Confident60 Ų6080 Ų8024%0.23542%0.416CS..EExtended strand (participates in β ladder)trans-119.6140.3179.8-59.3-95.3000109.5V63 L64 V65 L66 Q110 V135V63-Y112 HydrophobicContact CG1-CD2 4.23Å; V63-Y112 HydrophobicContact CG1-CE2 3.95Å; L64-Y112 PolarHBondContact O-N 3.39Å; V65-Y112 HydrophobicContact CG2-CD2 4.47Å; L66-Y112 PolarHBondContact N-O 2.86Å; Q110-Y112 HydrophobicContact CB-CD2 4.49Å; Q110-Y112 HydrophobicContact CB-CE2 3.71Å; Q110-Y112 PolarHBondContact OE1-OH 3.22Å; Y112-V135 HydrophobicContact CD1-CG2 3.9Å; Y112-V135 HydrophobicContact CD2-CG1 4.03Å; Y112-V135 HydrophobicContact CD2-CG2 3.7Å; Y112-V135 HydrophobicContact CE1-CG2 4.09Å; Y112-V135 HydrophobicContact CE2-CB 4.42Å; Y112-V135 HydrophobicContact CE2-CG1 3.83Å; Y112-V135 HydrophobicContact CE2-CG2 3.92Å; Y112-V135 HydrophobicContact CG-CG2 3.69Å
113T98.6Very high85.6Confident48 Ų4872.7 Ų72.729%0.29439%0.385SS..EExtended strand (participates in β ladder)trans-115135.9177.550.60000110.4L66 E75 A78L66-T113 HydrophobicContact CB-CG2 4.36Å; L66-T113 HydrophobicContact CD1-CG2 4.47Å; E75-T113 WeakPolarHBondContact OE2-CG2 3.42Å; E75-T113 PolarHBondContact OE2-OG1 3.2Å; A78-T113 HydrophobicContact CB-CG2 3.42Å; A78-T113 VanDerWaalsContact CB-CG2 3.42Å
114Y98.7Very high88.2Confident18 Ų1863.5 Ų63.57%0.07134%0.342CS..EExtended strand (participates in β ladder)trans-132.1131.7172.9-62.5-91.9000109.9V65 L66 W67 D68 N74 C116 T127 K130 V131 E134V65-Y114 HydrophobicContact CG1-CD2 3.78Å; V65-Y114 HydrophobicContact CG1-CE2 3.78Å; L66-Y114 PolarHBondContact O-N 3.1Å; W67-Y114 AromaticContact NE1-CD2 3.79Å; D68-Y114 PolarHBondContact N-O 2.92Å; N74-Y114 PolarHBondContact ND2-O 3.41Å; Y114-C116 PolarHBondContact O-N 3.17Å; Y114-T127 VanDerWaalsContact CB-CG2 3.5Å; Y114-T127 HydrophobicContact CD1-CG2 3.95Å; Y114-T127 HydrophobicContact CG-CG2 3.8Å; Y114-K130 HydrophobicContact CD1-CB 4.32Å; Y114-K130 HydrophobicContact CD1-CD 4.43Å; Y114-K130 HydrophobicContact CE1-CB 3.75Å; Y114-K130 HydrophobicContact CE1-CD 4.44Å; Y114-V131 HydrophobicContact CD2-CG2 3.94Å; Y114-V131 HydrophobicContact CE1-CG2 4.44Å; Y114-V131 HydrophobicContact CE2-CG2 3.64Å; Y114-V131 HydrophobicContact CG-CG2 4.46Å; Y114-E134 PolarHBondContact OH-OE2 3.42Å; Y114-E134 VanDerWaalsContact OH-OE2 3.13Å
115V98.6Very high90.6Very high90 Ų9063.3 Ų63.355%0.54533%0.334SS..EExtended strand (participates in β ladder)trans-76.4113.4168.6-175.90000107.8D68D68-V115 CarbonylContact O-C 3.59Å; D68-V115 VanDerWaalsContact O-CA 3.32Å; D68-V115 WeakPolarHBondContact O-CA 3.29Å
116C98.6Very high93Very high2 Ų261.1 Ų61.11%0.01432%0.321CS..  trans-140.1117.2-177.2-1750000110.6W67 D68 Y114 V118 T127W67-C116 HydrophobicContact CB-CB 4.19Å; W67-C116 HydrophobicContact CD2-CB 4.03Å; W67-C116 HydrophobicContact CE3-CB 3.94Å; W67-C116 HydrophobicContact CG-CB 4.15Å; D68-C116 CarbonylContact C-O 3.5Å; D68-C116 PolarHBondContact O-N 3.07Å; Y114-C116 PolarHBondContact O-N 3.17Å; C116-V118 PolarHBondContact O-N 3.01Å; C116-T127 HydrophobicContact CB-CG2 4.15Å
117D98.5Very high95Very high36 Ų3655.7 Ų55.719%0.19328%0.276CS..  trans-83.398.1166.7-176.2-4.7000108.8I69 G119 K120 S123I69-D117 HydrophobicContact CD1-CB 3.99Å; I69-D117 HydrophobicContact CG1-CB 4.19Å; D117-G119 PolarHBondContact O-N 3.19Å; D117-G119 VanDerWaalsContact O-N 3.11Å; D117-G119 WeakPolarHBondContact OD1-CA 3.35Å; D117-G119 PolarHBondContact OD1-N 3.16Å; D117-K120 HydrophobicContact CB-CD 4.25Å; D117-K120 HydrophobicContact CB-CG 4.43Å; D117-K120 PolarHBondContact O-N 2.9Å; D117-K120 WeakPolarHBondContact OD2-CD 3.34Å; D117-K120 WeakPolarHBondContact OD2-CE 3.19Å; D117-K120 IonicContact OD2-NZ 2.88Å; D117-S123 PolarHBondContact N-OG 3.26Å; D117-S123 WeakPolarHBondContact O-CB 3.33Å
118V98.6Very high96.6Very high12 Ų1251.9 Ų51.97%0.07326%0.259CS..THydrogen-bonded Turntrans-64.7-13.6178.8-61.20000113.1T43 W67 C116 K120 V124 A145 V167 A171 W174T43-V118 HydrophobicContact CG2-CG1 4.14Å; W67-V118 HydrophobicContact CE3-CG1 4.45Å; C116-V118 PolarHBondContact O-N 3.01Å; V118-K120 PolarHBondContact O-N 2.98Å; V118-V124 HydrophobicContact CB-CG2 4.3Å; V118-V124 HydrophobicContact CG1-CG2 4.49Å; V118-A145 HydrophobicContact CG2-CB 3.65Å; V118-V167 HydrophobicContact CG2-CG1 4.01Å; V118-A171 HydrophobicContact CB-CB 4.01Å; V118-A171 HydrophobicContact CG2-CB 4.26Å; V118-A171 WeakPolarHBondContact O-CB 3.48Å; V118-W174 VanDerWaalsContact O-CZ3 3.23Å; V118-W174 WeakPolarHBondContact O-CZ3 3.37Å
119G98.1Very high97.6Very high21 Ų2149.2 Ų49.222%0.21625%0.247CC..THydrogen-bonded Turntrans-75.6-6.5172.100000113.7D117 V166D117-G119 PolarHBondContact O-N 3.19Å; D117-G119 VanDerWaalsContact O-N 3.11Å; D117-G119 WeakPolarHBondContact OD1-CA 3.35Å; D117-G119 PolarHBondContact OD1-N 3.16Å; G119-V166 VanDerWaalsContact O-CG1 3.23Å; G119-V166 WeakPolarHBondContact O-CG1 3.37Å
120K98.6Very high98.4Very high126 Ų12653 Ų5355%0.54826%0.262SS..SBendtrans-115.8113.1176.3-65.6175.9-175.3169.10110D117 V118 E122 S123 V124D117-K120 HydrophobicContact CB-CD 4.25Å; D117-K120 HydrophobicContact CB-CG 4.43Å; D117-K120 PolarHBondContact O-N 2.9Å; D117-K120 WeakPolarHBondContact OD2-CD 3.34Å; D117-K120 WeakPolarHBondContact OD2-CE 3.19Å; D117-K120 IonicContact OD2-NZ 2.88Å; V118-K120 PolarHBondContact O-N 2.98Å; K120-E122 VanDerWaalsContact C-N 3.26Å; K120-E122 PolarHBondContact O-N 2.82Å; K120-S123 WeakPolarHBondContact O-CA 3.37Å; K120-S123 VanDerWaalsContact O-CB 3.29Å; K120-S123 WeakPolarHBondContact O-CB 3.49Å; K120-S123 PolarHBondContact O-N 3.44Å; K120-V124 PolarHBondContact O-N 3.1Å; K120-V124 VanDerWaalsContact O-N 3.07Å
121R98.6Very high98.6Very high125 Ų12548.1 Ų48.147%0.47224%0.239SC..Hα-helixtrans-53-43.3-179.4-179.2-178.464.5-175.7-3.2112.8S123 V124 Y125 W174R121-S123 VanDerWaalsContact C-N 3.32Å; R121-S123 PolarHBondContact O-N 2.83Å; R121-V124 PolarHBondContact O-N 3.12Å; R121-Y125 HydrophobicContact CG-CD2 3.8Å; R121-Y125 HydrophobicContact CG-CE2 3.37Å; R121-Y125 VanDerWaalsContact O-CD2 3.32Å; R121-Y125 WeakPolarHBondContact O-CD2 3.46Å; R121-Y125 PolarHBondContact O-N 2.79Å; R121-Y125 VanDerWaalsContact O-N 3.1Å; R121-W174 HydrophobicContact CB-CD2 3.84Å; R121-W174 HydrophobicContact CB-CE3 4.01Å; R121-W174 HydrophobicContact CB-CG 4.41Å; R121-W174 HydrophobicContact CB-CH2 4.11Å; R121-W174 HydrophobicContact CB-CZ2 3.97Å; R121-W174 HydrophobicContact CB-CZ3 4.14Å; R121-W174 HydrophobicContact CG-CD2 3.99Å; R121-W174 HydrophobicContact CG-CG 4.05Å
122E98.6Very high98.5Very high116 Ų11651.2 Ų51.254%0.54225%0.249SC..Hα-helixtrans-67.8-34.3-179.5-63.767.1-145.200111.4K120 S126K120-E122 VanDerWaalsContact C-N 3.26Å; K120-E122 PolarHBondContact O-N 2.82Å; E122-S126 VanDerWaalsContact O-CB 3.27Å; E122-S126 WeakPolarHBondContact O-CB 3.39Å; E122-S126 PolarHBondContact O-N 3.28Å; E122-S126 PolarHBondContact O-OG 3.37Å
123S98.7Very high98.5Very high26 Ų2656.9 Ų56.918%0.18227%0.27CS..Hα-helixtrans-64.6-42.3173-177.10000111D117 K120 R121 S126 T127D117-S123 PolarHBondContact N-OG 3.26Å; D117-S123 WeakPolarHBondContact O-CB 3.33Å; K120-S123 WeakPolarHBondContact O-CA 3.37Å; K120-S123 VanDerWaalsContact O-CB 3.29Å; K120-S123 WeakPolarHBondContact O-CB 3.49Å; K120-S123 PolarHBondContact O-N 3.44Å; R121-S123 VanDerWaalsContact C-N 3.32Å; R121-S123 PolarHBondContact O-N 2.83Å; S123-S126 PolarHBondContact O-OG 2.92Å; S123-T127 VanDerWaalsContact O-CB 3.28Å; S123-T127 WeakPolarHBondContact O-CB 3.32Å; S123-T127 PolarHBondContact O-N 3.25Å; S123-T127 PolarHBondContact O-OG1 2.88Å
124V98.9Very high98.5Very high0 Ų059.6 Ų59.60%028%0.279CS..Hα-helixtrans-61.5-52.8177.9171.40000111W67 V118 K120 R121 T127 A128 W174 T175W67-V124 HydrophobicContact CZ3-CG1 4.18Å; V118-V124 HydrophobicContact CB-CG2 4.3Å; V118-V124 HydrophobicContact CG1-CG2 4.49Å; K120-V124 PolarHBondContact O-N 3.1Å; K120-V124 VanDerWaalsContact O-N 3.07Å; R121-V124 PolarHBondContact O-N 3.12Å; V124-T127 PolarHBondContact O-N 2.83Å; V124-A128 WeakPolarHBondContact O-CB 3.47Å; V124-A128 PolarHBondContact O-N 3.12Å; V124-W174 HydrophobicContact CB-CB 4.24Å; V124-W174 HydrophobicContact CG1-CB 3.81Å; V124-W174 HydrophobicContact CG2-CB 4.48Å; V124-W174 HydrophobicContact CG2-CE3 4.21Å; V124-T175 HydrophobicContact CG1-CG2 3.85Å
125Y98.8Very high98.4Very high70 Ų7060.2 Ų60.228%0.27529%0.285SS..Hα-helixtrans-67.4-42.9-177.6-66.4-50.5000112.6R121 T127 A128 E129 W174 K177 A178R121-Y125 HydrophobicContact CG-CD2 3.8Å; R121-Y125 HydrophobicContact CG-CE2 3.37Å; R121-Y125 VanDerWaalsContact O-CD2 3.32Å; R121-Y125 WeakPolarHBondContact O-CD2 3.46Å; R121-Y125 PolarHBondContact O-N 2.79Å; R121-Y125 VanDerWaalsContact O-N 3.1Å; Y125-T127 VanDerWaalsContact C-N 3.3Å; Y125-T127 PolarHBondContact O-N 2.87Å; Y125-A128 PolarHBondContact O-N 3.25Å; Y125-E129 WeakPolarHBondContact O-CG 3.32Å; Y125-E129 PolarHBondContact O-N 3.39Å; Y125-W174 WeakPolarHBondContact CE1-O 3.38Å; Y125-K177 HydrophobicContact CE1-CB 4.22Å; Y125-A178 HydrophobicContact CD1-CB 4.02Å; Y125-A178 HydrophobicContact CE1-CB 4.22Å
126S98.7Very high98.3Very high61 Ų6157 Ų5743%0.42727%0.27SS..Hα-helixtrans-64.1-35.7178590000112.7E122 S123 K130E122-S126 VanDerWaalsContact O-CB 3.27Å; E122-S126 WeakPolarHBondContact O-CB 3.39Å; E122-S126 PolarHBondContact O-N 3.28Å; E122-S126 PolarHBondContact O-OG 3.37Å; S123-S126 PolarHBondContact O-OG 2.92Å; S126-K130 WeakPolarHBondContact O-CG 3.31Å; S126-K130 PolarHBondContact O-N 2.89Å
127T98.8Very high98.2Very high4 Ų460.1 Ų60.13%0.02528%0.284CS..Hα-helixtrans-71.9-39.9174.6-51.90000111.6W67 Y114 C116 S123 V124 Y125 E129 K130 V131W67-T127 HydrophobicContact CD2-CG2 4.08Å; W67-T127 VanDerWaalsContact CE2-CG2 3.42Å; W67-T127 HydrophobicContact CH2-CG2 4.09Å; W67-T127 HydrophobicContact CZ2-CG2 3.44Å; W67-T127 VanDerWaalsContact CZ2-CG2 3.44Å; Y114-T127 VanDerWaalsContact CB-CG2 3.5Å; Y114-T127 HydrophobicContact CD1-CG2 3.95Å; Y114-T127 HydrophobicContact CG-CG2 3.8Å; C116-T127 HydrophobicContact CB-CG2 4.15Å; S123-T127 VanDerWaalsContact O-CB 3.28Å; S123-T127 WeakPolarHBondContact O-CB 3.32Å; S123-T127 PolarHBondContact O-N 3.25Å; S123-T127 PolarHBondContact O-OG1 2.88Å; V124-T127 PolarHBondContact O-N 2.83Å; Y125-T127 VanDerWaalsContact C-N 3.3Å; Y125-T127 PolarHBondContact O-N 2.87Å; T127-E129 VanDerWaalsContact C-N 3.3Å; T127-E129 PolarHBondContact O-N 2.79Å; T127-K130 WeakPolarHBondContact O-CB 3.45Å; T127-K130 PolarHBondContact O-N 3.24Å; T127-K130 VanDerWaalsContact O-N 3.11Å; T127-V131 WeakPolarHBondContact O-CG2 3.31Å; T127-V131 PolarHBondContact O-N 3.29Å
128A98.8Very high98.2Very high0 Ų058.9 Ų58.90%028%0.278CS..Hα-helixtrans-59.3-40.617600000112.4W67 V124 Y125 K130 V131 R132 A178 F179W67-A128 HydrophobicContact CH2-CB 4.06Å; W67-A128 HydrophobicContact CZ2-CB 4.45Å; V124-A128 WeakPolarHBondContact O-CB 3.47Å; V124-A128 PolarHBondContact O-N 3.12Å; Y125-A128 PolarHBondContact O-N 3.25Å; A128-K130 VanDerWaalsContact C-N 3.34Å; A128-K130 PolarHBondContact O-N 3.46Å; A128-V131 PolarHBondContact O-N 3.45Å; A128-R132 PolarHBondContact O-N 3.4Å; A128-A178 HydrophobicContact CB-CB 3.6Å; A128-F179 HydrophobicContact CB-CE1 3.76Å; A128-F179 HydrophobicContact CB-CE2 4.45Å; A128-F179 HydrophobicContact CB-CZ 3.66Å
129E98.4Very high98.2Very high86 Ų8659.7 Ų59.740%0.40228%0.282SS..Hα-helixtrans-64.4-37.1174.9-68.9-54.4131.500112.4Y125 T127 R132 R133Y125-E129 WeakPolarHBondContact O-CG 3.32Å; Y125-E129 PolarHBondContact O-N 3.39Å; T127-E129 VanDerWaalsContact C-N 3.3Å; T127-E129 PolarHBondContact O-N 2.79Å; E129-R132 PolarHBondContact O-N 2.82Å; E129-R132 IonicContact OE1-CZ 3.71Å; E129-R132 IonicContact OE1-NH1 3.68Å; E129-R132 PolarHBondContact OE1-NH1 3.21Å; E129-R132 IonicContact OE1-NH2 3.18Å; E129-R132 PolarHBondContact OE1-NH2 3.36Å; E129-R132 IonicContact OE2-CZ 3.99Å; E129-R132 IonicContact OE2-NH1 2.75Å; E129-R132 PolarHBondContact OE2-NH1 2.94Å; E129-R133 VanDerWaalsContact O-CG 3.31Å; E129-R133 WeakPolarHBondContact O-CG 3.41Å; E129-R133 PolarHBondContact O-N 3.4Å; E129-R133 VanDerWaalsContact O-N 3.15Å
130K98.5Very high98.3Very high91 Ų9158.7 Ų58.740%0.39627%0.271SS..Hα-helixtrans-62-48.4173-68.1174.7-177.6178.30111.2Y114 S126 T127 A128 R132 R133 E134Y114-K130 HydrophobicContact CD1-CB 4.32Å; Y114-K130 HydrophobicContact CD1-CD 4.43Å; Y114-K130 HydrophobicContact CE1-CB 3.75Å; Y114-K130 HydrophobicContact CE1-CD 4.44Å; S126-K130 WeakPolarHBondContact O-CG 3.31Å; S126-K130 PolarHBondContact O-N 2.89Å; T127-K130 WeakPolarHBondContact O-CB 3.45Å; T127-K130 PolarHBondContact O-N 3.24Å; T127-K130 VanDerWaalsContact O-N 3.11Å; A128-K130 VanDerWaalsContact C-N 3.34Å; A128-K130 PolarHBondContact O-N 3.46Å; K130-R132 VanDerWaalsContact C-N 3.3Å; K130-R132 PolarHBondContact O-N 3.47Å; K130-R133 PolarHBondContact O-N 2.94Å; K130-R133 VanDerWaalsContact O-N 3.13Å; K130-E134 WeakPolarHBondContact O-CB 3.5Å; K130-E134 WeakPolarHBondContact O-CG 3.46Å; K130-E134 PolarHBondContact O-N 3.45Å
131V98.5Very high98.3Very high0 Ų052.7 Ų52.70%025%0.245CC..Hα-helixtrans-55.3-46.1177173.90000111V41 V65 W67 Y114 T127 A128 R133 E134 V135 G136 V138V41-V131 HydrophobicContact CG2-CG1 4.37Å; V65-V131 HydrophobicContact CG1-CG1 4.07Å; V65-V131 HydrophobicContact CG1-CG2 3.59Å; V65-V131 HydrophobicContact CG2-CG1 4.22Å; W67-V131 HydrophobicContact CZ2-CG2 3.85Å; Y114-V131 HydrophobicContact CD2-CG2 3.94Å; Y114-V131 HydrophobicContact CE1-CG2 4.44Å; Y114-V131 HydrophobicContact CE2-CG2 3.64Å; Y114-V131 HydrophobicContact CG-CG2 4.46Å; T127-V131 WeakPolarHBondContact O-CG2 3.31Å; T127-V131 PolarHBondContact O-N 3.29Å; A128-V131 PolarHBondContact O-N 3.45Å; V131-R133 VanDerWaalsContact C-N 3.32Å; V131-R133 PolarHBondContact O-N 3.08Å; V131-E134 PolarHBondContact O-N 3.47Å; V131-V135 HydrophobicContact CG1-CB 4.35Å; V131-V135 HydrophobicContact CG1-CG2 4.44Å; V131-V135 WeakPolarHBondContact O-CA 3.43Å; V131-V135 WeakPolarHBondContact O-CB 3.32Å; V131-V135 PolarHBondContact O-N 3.03Å; V131-G136 PolarHBondContact O-N 3.05Å; V131-G136 VanDerWaalsContact O-N 3.1Å; V131-V138 HydrophobicContact CG1-CG2 3.97Å
132R97.5Very high98.3Very high84 Ų8446.7 Ų46.732%0.31722%0.223SC..Hα-helixtrans-61.6-39.3179.8-163.6-178.1-57.6127.98.1112.7A128 E129 K130 G136 E137 A178A128-R132 PolarHBondContact O-N 3.4Å; E129-R132 PolarHBondContact O-N 2.82Å; E129-R132 IonicContact OE1-CZ 3.71Å; E129-R132 IonicContact OE1-NH1 3.68Å; E129-R132 PolarHBondContact OE1-NH1 3.21Å; E129-R132 IonicContact OE1-NH2 3.18Å; E129-R132 PolarHBondContact OE1-NH2 3.36Å; E129-R132 IonicContact OE2-CZ 3.99Å; E129-R132 IonicContact OE2-NH1 2.75Å; E129-R132 PolarHBondContact OE2-NH1 2.94Å; K130-R132 VanDerWaalsContact C-N 3.3Å; K130-R132 PolarHBondContact O-N 3.47Å; R132-G136 WeakPolarHBondContact CA-O 3.31Å; R132-G136 WeakPolarHBondContact O-CA 3.39Å; R132-G136 PolarHBondContact O-N 3.43Å; R132-E137 IonicContact NE-OE2 3.89Å; R132-A178 PolarHBondContact NH2-O 2.97Å
133R97.9Very high98.3Very high178 Ų17841.2 Ų41.267%0.67220%0.197SC*.Hα-helixtrans-76-38.8-179.7-66.9-179.3-43.9-160.98.5113.4E129 K130 V131E129-R133 VanDerWaalsContact O-CG 3.31Å; E129-R133 WeakPolarHBondContact O-CG 3.41Å; E129-R133 PolarHBondContact O-N 3.4Å; E129-R133 VanDerWaalsContact O-N 3.15Å; K130-R133 PolarHBondContact O-N 2.94Å; K130-R133 VanDerWaalsContact O-N 3.13Å; V131-R133 VanDerWaalsContact C-N 3.32Å; V131-R133 PolarHBondContact O-N 3.08Å
134E97.8Very high98.3Very high105 Ų10540.9 Ų40.949%0.49119%0.193SC..Hα-helixtrans-95.1-28.8-169.2-67.4169.2-146.600112.6Y114 K130 V131Y114-E134 PolarHBondContact OH-OE2 3.42Å; Y114-E134 VanDerWaalsContact OH-OE2 3.13Å; K130-E134 WeakPolarHBondContact O-CB 3.5Å; K130-E134 WeakPolarHBondContact O-CG 3.46Å; K130-E134 PolarHBondContact O-N 3.45Å; V131-E134 PolarHBondContact O-N 3.47Å
135V97.4Very high98.2Very high32 Ų3241.4 Ų41.419%0.19420%0.197CC..THydrogen-bonded Turntrans-116.7-45.2-175.3-169.20000111.3V39 V63 V65 Y112 V131V39-V135 HydrophobicContact CG1-CG1 3.84Å; V39-V135 HydrophobicContact CG2-CG1 4.29Å; V63-V135 HydrophobicContact CG1-CG1 3.95Å; V65-V135 HydrophobicContact CG2-CB 4.36Å; V65-V135 HydrophobicContact CG2-CG1 3.93Å; V65-V135 HydrophobicContact CG2-CG2 4.05Å; Y112-V135 HydrophobicContact CD1-CG2 3.9Å; Y112-V135 HydrophobicContact CD2-CG1 4.03Å; Y112-V135 HydrophobicContact CD2-CG2 3.7Å; Y112-V135 HydrophobicContact CE1-CG2 4.09Å; Y112-V135 HydrophobicContact CE2-CB 4.42Å; Y112-V135 HydrophobicContact CE2-CG1 3.83Å; Y112-V135 HydrophobicContact CE2-CG2 3.92Å; Y112-V135 HydrophobicContact CG-CG2 3.69Å; V131-V135 HydrophobicContact CG1-CB 4.35Å; V131-V135 HydrophobicContact CG1-CG2 4.44Å; V131-V135 WeakPolarHBondContact O-CA 3.43Å; V131-V135 WeakPolarHBondContact O-CB 3.32Å; V131-V135 PolarHBondContact O-N 3.03Å
136G96.1Very high98Very high23 Ų2339.2 Ų39.224%0.23720%0.197CC..  trans121.3-157.3-177.900000112.8V131 R132V131-G136 PolarHBondContact O-N 3.05Å; V131-G136 VanDerWaalsContact O-N 3.1Å; R132-G136 WeakPolarHBondContact CA-O 3.31Å; R132-G136 WeakPolarHBondContact O-CA 3.39Å; R132-G136 PolarHBondContact O-N 3.43Å
137E97.1Very high97.8Very high67 Ų6738.1 Ų38.131%0.31319%0.187SC..  trans-77.3142.2-176.8-57.2-59.8169.500111.6V39 R132 K182V39-E137 WeakPolarHBondContact CB-O 3.35Å; V39-E137 WeakPolarHBondContact CG2-O 3.5Å; R132-E137 IonicContact NE-OE2 3.89Å; E137-K182 HydrophobicContact CB-CG 4.08Å; E137-K182 VanDerWaalsContact CD-CG 3.48Å; E137-K182 HydrophobicContact CG-CD 4.21Å; E137-K182 HydrophobicContact CG-CG 3.74Å; E137-K182 WeakPolarHBondContact OE2-CB 3.33Å; E137-K182 VanDerWaalsContact OE2-CG 3.31Å; E137-K182 WeakPolarHBondContact OE2-CG 3.38Å
138V98.4Very high97.5Very high9 Ų939 Ų396%0.05519%0.192CC..  trans-91.5123.5-175176.40000110V39 V41 V131 I140 F179 M183V39-V138 HydrophobicContact CG1-CG2 4.29Å; V41-V138 HydrophobicContact CB-CG1 4.18Å; V41-V138 HydrophobicContact CG2-CB 4.26Å; V41-V138 HydrophobicContact CG2-CG1 3.66Å; V41-V138 HydrophobicContact CG2-CG2 3.52Å; V131-V138 HydrophobicContact CG1-CG2 3.97Å; V138-I140 VanDerWaalsContact CG1-O 3.3Å; V138-I140 WeakPolarHBondContact CG1-O 3.18Å; V138-F179 HydrophobicContact CB-CB 4.44Å; V138-F179 HydrophobicContact CB-CD1 3.92Å; V138-F179 HydrophobicContact CB-CE1 4.47Å; V138-F179 HydrophobicContact CB-CG 4.26Å; V138-F179 HydrophobicContact CG1-CG 4.47Å; V138-F179 HydrophobicContact CG2-CD1 3.56Å; V138-F179 HydrophobicContact CG2-CE1 3.63Å; V138-F179 HydrophobicContact CG2-CG 4.29Å; V138-F179 HydrophobicContact CG2-CZ 4.4Å; V138-M183 HydrophobicContact CG1-CE 4.08Å; V138-M183 WeakPolarHBondContact O-CE 3.35Å
139D98.6Very high97Very high29 Ų2939.6 Ų39.616%0.15520%0.196CC..SBendtrans-90.2-35.9177.6-57.2-59.6000111.8Q38 V39 H188 G189 H190Q38-D139 VanDerWaalsContact CA-OD2 3.27Å; Q38-D139 WeakPolarHBondContact CA-OD2 3.23Å; Q38-D139 HydrophobicContact CB-CB 3.95Å; Q38-D139 HydrophobicContact CG-CB 4.23Å; V39-D139 PolarHBondContact N-OD2 3.45Å; V39-D139 PolarHBondContact O-N 3.2Å; D139-H188 IonicContact OD1-CD2 2.71Å; D139-H188 PolarHBondContact OD1-CD2 3.22Å; D139-H188 IonicContact OD1-NE2 3.98Å; D139-G189 CarbonylContact O-C 3.36Å; D139-G189 WeakPolarHBondContact O-CA 3.49Å; D139-H190 PolarHBondContact O-N 3.1Å
140I98.9Very high96.4Very high0 Ų035.7 Ų35.70%018%0.179CC..EExtended strand (participates in β ladder)trans-128.9126.9-177.4-54.2-178.9000110.1V35 V39 C40 V41 F57 V138 I142 H190V35-I140 HydrophobicContact CB-CD1 4.32Å; V35-I140 HydrophobicContact CG1-CD1 3.82Å; V39-I140 PolarHBondContact O-N 3.25Å; C40-I140 CarbonylContact C-O 3.56Å; C40-I140 WeakPolarHBondContact CA-O 3.48Å; C40-I140 HydrophobicContact CB-CB 4.08Å; V41-I140 PolarHBondContact N-O 3.43Å; F57-I140 HydrophobicContact CE1-CD1 3.77Å; F57-I140 HydrophobicContact CZ-CD1 4.35Å; F57-I140 HydrophobicContact CZ-CG2 4.23Å; V138-I140 VanDerWaalsContact CG1-O 3.3Å; V138-I140 WeakPolarHBondContact CG1-O 3.18Å; I140-I142 HydrophobicContact CG2-CD1 3.54Å; I140-I142 HydrophobicContact CG2-CG1 4.24Å; I140-H190 CarbonylContact C-O 3.58Å; I140-H190 WeakPolarHBondContact CA-O 3.39Å; I140-H190 HydrophobicContact CG1-CB 4.15Å; I140-H190 HydrophobicContact CG2-CB 4.36Å
141L98.9Very high95.9Very high0 Ų032.9 Ų32.90%017%0.168CC..EExtended strand (participates in β ladder)trans-113.2117.2172.8173.663.1000110.2V41 F179 M183 H190 I191 V192V41-L141 HydrophobicContact CB-CD1 4.18Å; V41-L141 HydrophobicContact CG1-CD1 4.07Å; L141-F179 HydrophobicContact CD1-CD2 3.9Å; L141-F179 HydrophobicContact CD1-CE2 4.13Å; L141-F179 HydrophobicContact CD2-CD2 4.11Å; L141-F179 HydrophobicContact CG-CD2 4.49Å; L141-M183 HydrophobicContact CB-CE 4.36Å; L141-H190 PolarHBondContact N-O 3.33Å; L141-I191 HydrophobicContact CB-CG1 4.45Å; L141-I191 HydrophobicContact CD2-CG2 4.45Å; L141-V192 PolarHBondContact O-N 2.65Å
142I98.9Very high95.5Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-101.397.9172.4-44.5-58.7000109.7V41 I42 T43 F53 F57 I140 N144 V192 V194 I279V41-I142 PolarHBondContact O-N 2.9Å; I42-I142 HydrophobicContact CB-CB 4.43Å; I42-I142 HydrophobicContact CG1-CB 4.15Å; I42-I142 HydrophobicContact CG1-CG1 3.91Å; I42-I142 HydrophobicContact CG2-CB 4.3Å; I42-I142 HydrophobicContact CG2-CG2 4.47Å; T43-I142 PolarHBondContact N-O 2.85Å; T43-I142 VanDerWaalsContact N-O 3.1Å; T43-I142 PolarHBondContact OG1-O 3.04Å; F53-I142 HydrophobicContact CD2-CG2 4.38Å; F57-I142 HydrophobicContact CE2-CD1 3.91Å; F57-I142 HydrophobicContact CE2-CG1 4.05Å; F57-I142 HydrophobicContact CZ-CD1 4Å; I140-I142 HydrophobicContact CG2-CD1 3.54Å; I140-I142 HydrophobicContact CG2-CG1 4.24Å; I142-N144 HydrophobicContact CG2-CB 3.92Å; I142-N144 PolarHBondContact O-N 3.48Å; I142-N144 VanDerWaalsContact O-N 3.12Å; I142-V192 HydrophobicContact CD1-CB 3.51Å; I142-V192 HydrophobicContact CD1-CG1 4.14Å; I142-V192 HydrophobicContact CD1-CG2 3.41Å; I142-V192 VanDerWaalsContact CD1-CG2 3.41Å; I142-V194 HydrophobicContact CG2-CG2 4.09Å; I142-I279 HydrophobicContact CD1-CD1 4.35Å
143N98.9Very high95.2Very high1 Ų136.6 Ų36.61%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-76.991.1170.1-78.9-28.6000109.3T175 V192 V194N143-T175 PolarHBondContact ND2-OG1 3.44Å; N143-T175 WeakPolarHBondContact OD1-CB 3.48Å; N143-T175 PolarHBondContact OD1-OG1 3.41Å; N143-V192 WeakPolarHBondContact CB-O 3.41Å; N143-V192 PolarHBondContact N-O 3.08Å; N143-V194 PolarHBondContact O-N 2.83Å
144N98.6Very high95Very high19 Ų1936.4 Ų36.410%0.10220%0.202CC..  trans-122.4-24.9-172.7162.588.7000114.6T43 G44 G50 I142 G146 V194T43-N144 WeakPolarHBondContact O-CB 3.33Å; T43-N144 PolarHBondContact O-ND2 3.2Å; T43-N144 PolarHBondContact OG1-N 3.26Å; G44-N144 PolarHBondContact O-ND2 3.1Å; G50-N144 VanDerWaalsContact CA-ND2 3.33Å; G50-N144 WeakPolarHBondContact CA-ND2 3.38Å; G50-N144 PolarHBondContact N-ND2 2.89Å; I142-N144 HydrophobicContact CG2-CB 3.92Å; I142-N144 PolarHBondContact O-N 3.48Å; I142-N144 VanDerWaalsContact O-N 3.12Å; N144-G146 PolarHBondContact O-N 3.1Å; N144-V194 HydrophobicContact CB-CB 4.15Å; N144-V194 HydrophobicContact CB-CG2 3.83Å
145A96.9Very high94.7Very high10 Ų1036.4 Ų36.48%0.08320%0.202CC..  trans-51.2138.1179.700000111.6T43 V118 V167T43-A145 PolarHBondContact O-N 3.16Å; T43-A145 PolarHBondContact OG1-N 2.97Å; T43-A145 VanDerWaalsContact OG1-N 3.16Å; V118-A145 HydrophobicContact CG2-CB 3.65Å; A145-V167 HydrophobicContact CB-CG1 4.48Å
146G95.3Very high94.5Very high25 Ų2535.5 Ų35.526%0.25820%0.197SC..  trans-164.1150.3-177.400000114.4N144 N168 M249N144-G146 PolarHBondContact O-N 3.1Å; G146-N168 WeakPolarHBondContact CA-OD1 3.44Å; G146-M249 WeakPolarHBondContact O-CE 3.45Å
147V94.5Very high94.4Very high37 Ų3737.1 Ų37.122%0.22420%0.204CC..  trans-136.4165.3177.1-60.40000110.8R163 V167 N168 Y209V147-R163 HydrophobicContact CG2-CG 4.34Å; V147-V167 HydrophobicContact CG1-CG1 4.23Å; V147-V167 HydrophobicContact CG2-CB 4.02Å; V147-V167 HydrophobicContact CG2-CG1 4.3Å; V147-V167 HydrophobicContact CG2-CG2 4.4Å; V147-N168 PolarHBondContact N-OD1 2.59Å; V147-N168 PolarHBondContact O-ND2 2.94Å; V147-N168 PolarHBondContact O-OD1 2.92Å; V147-Y209 WeakPolarHBondContact O-CD2 3.5Å
148V90.9Very high94.4Very high23 Ų2339.3 Ų39.314%0.13922%0.217CC..  trans-139.3137.9171.657.20000107.6Y209 M249 F250 F323V148-Y209 HydrophobicContact CB-CD2 4.05Å; V148-Y209 HydrophobicContact CG2-CD2 4.38Å; V148-Y209 HydrophobicContact CG2-CG 4.44Å; V148-M249 HydrophobicContact CG1-CG 3.8Å; V148-F250 HydrophobicContact CG2-CE1 4.26Å; V148-F323 HydrophobicContact CG1-CZ 4.29Å
149S88.8Confident94.3Very high12 Ų1245.2 Ų45.28%0.08425%0.245CC..  trans-64-51.4178.455.40000111.6H151 C156 D208S149-H151 PolarHBondContact O-CD2 2.98Å; S149-C156 VanDerWaalsContact CB-SG 3.56Å; S149-D208 WeakPolarHBondContact CB-OD2 3.47Å; S149-D208 PolarHBondContact N-OD2 3.03Å; S149-D208 PolarHBondContact OG-OD1 3.27Å; S149-D208 PolarHBondContact OG-OD2 3.36Å
150G85.9Confident94.1Very high4 Ų446.5 Ų46.54%0.04125%0.251CS..  trans7931.2-179.600000114.7L324G150-L324 WeakPolarHBondContact O-CD2 3.4Å
151H87.3Confident94Very high33 Ų3348.5 Ų48.515%0.15326%0.261CS..SBendtrans-122.4156.2173.8-69.6-112.4000110.6S149 E155 C156 M331S149-H151 PolarHBondContact O-CD2 2.98Å; H151-E155 PolarHBondContact ND1-O 3.47Å; H151-C156 HydrophobicContact CB-CB 3.6Å; H151-M331 WeakPolarHBondContact CE1-CE 3.13Å
152H90.1Very high94Very high66 Ų6654.6 Ų54.631%0.30629%0.29SS..  trans-65.1145.2161.1-77.4-70.9000109.5L154 E155 C156 Y321 L324H152-L154 VanDerWaalsContact C-N 3.29Å; H152-L154 PolarHBondContact O-N 3.43Å; H152-L154 VanDerWaalsContact O-N 3.14Å; H152-E155 CarbonylContact O-C 3.5Å; H152-E155 WeakPolarHBondContact O-CA 3.37Å; H152-E155 PolarHBondContact O-N 3.03Å; H152-C156 WeakPolarHBondContact O-CB 3.47Å; H152-C156 PolarHBondContact O-N 3.12Å; H152-Y321 AromaticContact CE1-CE1 3.99Å; H152-L324 WeakPolarHBondContact CE1-CD1 3.42Å; H152-L324 WeakPolarHBondContact NE2-CD1 3.31Å
153L92.8Very high93.9Very high96 Ų9660.7 Ų60.750%0.50331%0.313SS..G310 helixtrans-47.1-47.8-175.5-179.662.7000114E155 C156 I161L153-E155 VanDerWaalsContact C-N 3.26Å; L153-E155 PolarHBondContact O-N 2.92Å; L153-C156 PolarHBondContact O-N 3.2Å; L153-I161 HydrophobicContact CD1-CD1 4.17Å
154L93.8Very high93.9Very high173 Ų17360.7 Ų60.791%0.90631%0.313SS*.G310 helixtrans-73.3-15.7-177.6-58.3-178.6000114.1H152H152-L154 VanDerWaalsContact C-N 3.29Å; H152-L154 PolarHBondContact O-N 3.43Å; H152-L154 VanDerWaalsContact O-N 3.14Å
155E90.9Very high93.8Very high106 Ų10662.4 Ų62.450%0.49532%0.321SS..G310 helixtrans-107.63.4178.6-57.8-173.8163.300111.7H151 H152 L153 P157 K328H151-E155 PolarHBondContact ND1-O 3.47Å; H152-E155 CarbonylContact O-C 3.5Å; H152-E155 WeakPolarHBondContact O-CA 3.37Å; H152-E155 PolarHBondContact O-N 3.03Å; L153-E155 VanDerWaalsContact C-N 3.26Å; L153-E155 PolarHBondContact O-N 2.92Å; E155-P157 WeakPolarHBondContact O-CD 3.4Å; E155-K328 VanDerWaalsContact CD-NZ 3.29Å; E155-K328 IonicContact OE1-NZ 2.7Å; E155-K328 PolarHBondContact OE1-NZ 3.37Å; E155-K328 IonicContact OE2-NZ 2.75Å; E155-K328 PolarHBondContact OE2-NZ 3.44Å
156C92.1Very high93.9Very high12 Ų1263.5 Ų63.58%0.08133%0.327CS..SBendtrans-91.3121.5-175.8-166.80000109.6S149 H151 H152 L153 D158 I161S149-C156 VanDerWaalsContact CB-SG 3.56Å; H151-C156 HydrophobicContact CB-CB 3.6Å; H152-C156 WeakPolarHBondContact O-CB 3.47Å; H152-C156 PolarHBondContact O-N 3.12Å; L153-C156 PolarHBondContact O-N 3.2Å; C156-D158 PolarHBondContact O-N 3.41Å; C156-I161 HydrophobicContact CB-CD1 4.18Å; C156-I161 HydrophobicContact CB-CG1 4.24Å; C156-I161 VanDerWaalsContact SG-CG1 3.58Å
157P95.1Very high94.1Very high58 Ų5862.7 Ų62.738%0.37732%0.317SS..  trans-58.2136.8169.2-2333.1000111.5E155 E159 L160 I161E155-P157 WeakPolarHBondContact O-CD 3.4Å; P157-E159 PolarHBondContact O-N 2.75Å; P157-L160 HydrophobicContact CB-CG 4.4Å; P157-L160 HydrophobicContact CG-CD1 4.32Å; P157-L160 WeakPolarHBondContact O-CB 3.3Å; P157-L160 PolarHBondContact O-N 2.87Å; P157-I161 PolarHBondContact O-N 3.5Å
158D96.7Very high94.3Very high112 Ų11261 Ų6160%0.59931%0.306SS*.Hα-helixtrans-57.5-35.7-176-70.9-22.3000111.9C156 L160 I161 E162C156-D158 PolarHBondContact O-N 3.41Å; D158-L160 PolarHBondContact O-N 3.41Å; D158-I161 WeakPolarHBondContact O-CB 3.49Å; D158-I161 PolarHBondContact O-N 2.99Å; D158-E162 WeakPolarHBondContact O-CG 3.45Å; D158-E162 PolarHBondContact O-N 2.98Å
159E96.8Very high94.6Very high134 Ų13460.2 Ų60.263%0.62630%0.302SS*.Hα-helixtrans-63.1-29.9-180-56.779.8-174.100112.4P157 R163P157-E159 PolarHBondContact O-N 2.75Å; E159-R163 WeakPolarHBondContact O-CB 3.34Å; E159-R163 PolarHBondContact O-N 3.19Å
160L95.1Very high95.1Very high56 Ų5663.3 Ų63.329%0.29332%0.315SS..Hα-helixtrans-73.9-37.9175.3-63.3-173.2000111.3P157 D158 R163 T164P157-L160 HydrophobicContact CB-CG 4.4Å; P157-L160 HydrophobicContact CG-CD1 4.32Å; P157-L160 WeakPolarHBondContact O-CB 3.3Å; P157-L160 PolarHBondContact O-N 2.87Å; D158-L160 PolarHBondContact O-N 3.41Å; L160-R163 PolarHBondContact O-N 3.5Å; L160-T164 PolarHBondContact O-N 2.7Å; L160-T164 PolarHBondContact O-OG1 2.93Å; L160-T164 VanDerWaalsContact O-OG1 3.11Å
161I96.6Very high95.7Very high41 Ų4163.3 Ų63.321%0.2131%0.314CS..Hα-helixtrans-63-49.1175-58.2176000109.5L153 C156 P157 D158 R163 T164 M165 D208L153-I161 HydrophobicContact CD1-CD1 4.17Å; C156-I161 HydrophobicContact CB-CD1 4.18Å; C156-I161 HydrophobicContact CB-CG1 4.24Å; C156-I161 VanDerWaalsContact SG-CG1 3.58Å; P157-I161 PolarHBondContact O-N 3.5Å; D158-I161 WeakPolarHBondContact O-CB 3.49Å; D158-I161 PolarHBondContact O-N 2.99Å; I161-R163 VanDerWaalsContact C-N 3.34Å; I161-R163 PolarHBondContact O-N 3.47Å; I161-T164 WeakPolarHBondContact O-CB 3.44Å; I161-T164 PolarHBondContact O-N 3.49Å; I161-M165 PolarHBondContact O-N 3.14Å; I161-M165 VanDerWaalsContact O-N 3.1Å; I161-D208 HydrophobicContact CG2-CB 4.06Å
162E97.6Very high96.3Very high129 Ų12961.8 Ų61.860%0.60331%0.307SS*.Hα-helixtrans-58.9-45.7176.9-70.9-175.5171.300111.4D158 T164 M165 V166D158-E162 WeakPolarHBondContact O-CG 3.45Å; D158-E162 PolarHBondContact O-N 2.98Å; E162-T164 VanDerWaalsContact C-N 3.32Å; E162-T164 PolarHBondContact O-N 3.39Å; E162-M165 PolarHBondContact O-N 2.96Å; E162-V166 WeakPolarHBondContact O-CB 3.47Å; E162-V166 VanDerWaalsContact O-CG2 3.31Å; E162-V166 WeakPolarHBondContact O-CG2 3.5Å; E162-V166 PolarHBondContact O-N 3.14Å
163R97.7Very high96.7Very high127 Ų12763 Ų6348%0.47931%0.312SS..Hα-helixtrans-59-42.4176.7-175.6-178.5178.5137.83.3111.9V147 E159 L160 I161 V166 V167V147-R163 HydrophobicContact CG2-CG 4.34Å; E159-R163 WeakPolarHBondContact O-CB 3.34Å; E159-R163 PolarHBondContact O-N 3.19Å; L160-R163 PolarHBondContact O-N 3.5Å; I161-R163 VanDerWaalsContact C-N 3.34Å; I161-R163 PolarHBondContact O-N 3.47Å; R163-V166 PolarHBondContact O-N 3.03Å; R163-V167 HydrophobicContact CG-CG2 4.19Å; R163-V167 WeakPolarHBondContact O-CB 3.42Å; R163-V167 WeakPolarHBondContact O-CG2 3.19Å; R163-V167 PolarHBondContact O-N 3.45Å
164T97.8Very high97Very high1 Ų160.3 Ų60.31%0.00630%0.295CS..Hα-helixtrans-60-47.3176.6-64.50000111.1L160 I161 E162 N168 D208L160-T164 PolarHBondContact O-N 2.7Å; L160-T164 PolarHBondContact O-OG1 2.93Å; L160-T164 VanDerWaalsContact O-OG1 3.11Å; I161-T164 WeakPolarHBondContact O-CB 3.44Å; I161-T164 PolarHBondContact O-N 3.49Å; E162-T164 VanDerWaalsContact C-N 3.32Å; E162-T164 PolarHBondContact O-N 3.39Å; T164-N168 WeakPolarHBondContact O-CB 3.36Å; T164-N168 VanDerWaalsContact O-CG 3.28Å; T164-N168 PolarHBondContact O-N 3.02Å; T164-D208 WeakPolarHBondContact CB-OD2 3.48Å; T164-D208 HydrophobicContact CG2-CB 4.16Å; T164-D208 PolarHBondContact OG1-OD2 3.36Å
165M98.4Very high97.2Very high55 Ų5552.1 Ų52.127%0.27125%0.252SS..Hα-helixtrans-63.8-44.2177.9-69.8-59.4-63.900112.4I161 E162 C169 H170 A211 S212I161-M165 PolarHBondContact O-N 3.14Å; I161-M165 VanDerWaalsContact O-N 3.1Å; E162-M165 PolarHBondContact O-N 2.96Å; M165-C169 WeakPolarHBondContact O-CA 3.34Å; M165-C169 VanDerWaalsContact O-CB 3.23Å; M165-C169 WeakPolarHBondContact O-CB 3.39Å; M165-C169 PolarHBondContact O-N 2.81Å; M165-H170 PolarHBondContact O-N 3.38Å; M165-A211 HydrophobicContact SD-CB 4.11Å; M165-S212 VanDerWaalsContact SD-CA 3.56Å
166V98.6Very high97.6Very high34 Ų3447.4 Ų47.421%0.20623%0.23CC..Iπ-helixtrans-64.6-51-178163.70000111.3G119 E162 R163 H170 A171 W174G119-V166 VanDerWaalsContact O-CG1 3.23Å; G119-V166 WeakPolarHBondContact O-CG1 3.37Å; E162-V166 WeakPolarHBondContact O-CB 3.47Å; E162-V166 VanDerWaalsContact O-CG2 3.31Å; E162-V166 WeakPolarHBondContact O-CG2 3.5Å; E162-V166 PolarHBondContact O-N 3.14Å; R163-V166 PolarHBondContact O-N 3.03Å; V166-H170 WeakPolarHBondContact O-CB 3.43Å; V166-H170 PolarHBondContact O-N 2.82Å; V166-A171 PolarHBondContact O-N 3.4Å; V166-W174 HydrophobicContact CG1-CH2 3.7Å; V166-W174 HydrophobicContact CG1-CZ3 4.01Å
167V98.5Very high97.9Very high8 Ų853.6 Ų53.65%0.04826%0.256CS..Iπ-helixtrans-72-43.7-176.4173.50000111.8V118 A145 V147 R163 A171V118-V167 HydrophobicContact CG2-CG1 4.01Å; A145-V167 HydrophobicContact CB-CG1 4.48Å; V147-V167 HydrophobicContact CG1-CG1 4.23Å; V147-V167 HydrophobicContact CG2-CB 4.02Å; V147-V167 HydrophobicContact CG2-CG1 4.3Å; V147-V167 HydrophobicContact CG2-CG2 4.4Å; R163-V167 HydrophobicContact CG-CG2 4.19Å; R163-V167 WeakPolarHBondContact O-CB 3.42Å; R163-V167 WeakPolarHBondContact O-CG2 3.19Å; R163-V167 PolarHBondContact O-N 3.45Å; V167-A171 WeakPolarHBondContact O-CB 3.28Å
168N98.6Very high98.1Very high0 Ų051.3 Ų51.30%024%0.242CC..Iπ-helixtrans-85.1-15.6-172-61.80.6000113.7G146 V147 T164 H172 S212G146-N168 WeakPolarHBondContact CA-OD1 3.44Å; V147-N168 PolarHBondContact N-OD1 2.59Å; V147-N168 PolarHBondContact O-ND2 2.94Å; V147-N168 PolarHBondContact O-OD1 2.92Å; T164-N168 WeakPolarHBondContact O-CB 3.36Å; T164-N168 VanDerWaalsContact O-CG 3.28Å; T164-N168 PolarHBondContact O-N 3.02Å; N168-H172 PolarHBondContact O-CE1 3.36Å; N168-H172 VanDerWaalsContact O-CE1 3.25Å; N168-S212 VanDerWaalsContact CB-OG 3.28Å; N168-S212 WeakPolarHBondContact CB-OG 3.18Å; N168-S212 PolarHBondContact ND2-OG 2.94Å
169C98.4Very high98.2Very high8 Ų846.5 Ų46.55%0.05422%0.215CC..Iπ-helixtrans-130.6-62.8-175.4-173.80000112.2M165 A171 H172 F173 G215M165-C169 WeakPolarHBondContact O-CA 3.34Å; M165-C169 VanDerWaalsContact O-CB 3.23Å; M165-C169 WeakPolarHBondContact O-CB 3.39Å; M165-C169 PolarHBondContact O-N 2.81Å; C169-A171 VanDerWaalsContact C-N 3.28Å; C169-A171 PolarHBondContact O-N 2.76Å; C169-H172 WeakPolarHBondContact O-CB 3.44Å; C169-H172 PolarHBondContact O-N 2.98Å; C169-F173 WeakPolarHBondContact O-CD2 3.4Å; C169-G215 VanDerWaalsContact SG-C 3.58Å
170H98.6Very high98.3Very high77 Ų7740.9 Ų40.936%0.35619%0.19SC..Iπ-helixtrans-60.6-37.5-174.4-63177.2000112.9M165 V166 H172 F173 W174M165-H170 PolarHBondContact O-N 3.38Å; V166-H170 WeakPolarHBondContact O-CB 3.43Å; V166-H170 PolarHBondContact O-N 2.82Å; H170-H172 PolarHBondContact O-N 2.87Å; H170-H172 VanDerWaalsContact O-N 3.17Å; H170-F173 WeakPolarHBondContact O-CB 3.17Å; H170-F173 PolarHBondContact O-N 2.69Å; H170-W174 HydrophobicContact CB-CH2 4.02Å; H170-W174 HydrophobicContact CB-CZ2 3.69Å; H170-W174 PolarHBondContact O-N 3.41Å
171A98.8Very high98.4Very high3 Ų342 Ų423%0.02520%0.2CC..Hα-helixtrans-53-36.6175.900000112.6V118 V166 V167 C169 F173 W174 T175V118-A171 HydrophobicContact CB-CB 4.01Å; V118-A171 HydrophobicContact CG2-CB 4.26Å; V118-A171 WeakPolarHBondContact O-CB 3.48Å; V166-A171 PolarHBondContact O-N 3.4Å; V167-A171 WeakPolarHBondContact O-CB 3.28Å; C169-A171 VanDerWaalsContact C-N 3.28Å; C169-A171 PolarHBondContact O-N 2.76Å; A171-F173 VanDerWaalsContact C-N 3.33Å; A171-F173 PolarHBondContact O-N 3.11Å; A171-W174 HydrophobicContact CB-CE3 4.46Å; A171-W174 PolarHBondContact O-N 2.82Å; A171-W174 VanDerWaalsContact O-N 3.15Å; A171-T175 WeakPolarHBondContact O-CG2 3.39Å; A171-T175 PolarHBondContact O-N 2.85Å; A171-T175 PolarHBondContact O-OG1 2.86Å; A171-T175 VanDerWaalsContact O-OG1 3.08Å
172H98.8Very high98.5Very high2 Ų242.5 Ų42.51%0.00920%0.201CC..Hα-helixtrans-65.6-37.2179.6-60.8-177.7000111.7N168 C169 H170 W174 T175 T176 F219N168-H172 PolarHBondContact O-CE1 3.36Å; N168-H172 VanDerWaalsContact O-CE1 3.25Å; C169-H172 WeakPolarHBondContact O-CB 3.44Å; C169-H172 PolarHBondContact O-N 2.98Å; H170-H172 PolarHBondContact O-N 2.87Å; H170-H172 VanDerWaalsContact O-N 3.17Å; H172-W174 VanDerWaalsContact C-N 3.33Å; H172-T175 PolarHBondContact O-OG1 3.43Å; H172-T176 WeakPolarHBondContact O-CB 3.36Å; H172-T176 PolarHBondContact O-N 2.91Å; H172-T176 PolarHBondContact O-OG1 3.29Å; H172-F219 HydrophobicContact CB-CD1 3.95Å; H172-F219 HydrophobicContact CB-CE1 3.7Å; H172-F219 HydrophobicContact CB-CZ 4.2Å
173F98.9Very high98.5Very high90 Ų9036.5 Ų36.540%0.39517%0.173SC..Hα-helixtrans-63.3-42.2173.3-67.9-98.9000110.8C169 H170 A171 K177 F219C169-F173 WeakPolarHBondContact O-CD2 3.4Å; H170-F173 WeakPolarHBondContact O-CB 3.17Å; H170-F173 PolarHBondContact O-N 2.69Å; A171-F173 VanDerWaalsContact C-N 3.33Å; A171-F173 PolarHBondContact O-N 3.11Å; F173-K177 VanDerWaalsContact O-CB 3.28Å; F173-K177 WeakPolarHBondContact O-CB 3.5Å; F173-K177 WeakPolarHBondContact O-CG 3.45Å; F173-K177 PolarHBondContact O-N 3.2Å; F173-F219 AromaticContact CD1-CD2 3.7Å; F173-F219 HydrophobicContact CD1-CD2 3.7Å; F173-F219 AromaticContact CD1-CE2 3.84Å; F173-F219 HydrophobicContact CD1-CE2 3.84Å; F173-F219 HydrophobicContact CD2-CD2 4.01Å; F173-F219 HydrophobicContact CD2-CE2 4.39Å; F173-F219 AromaticContact CE1-CD2 3.47Å; F173-F219 HydrophobicContact CE1-CD2 3.47Å; F173-F219 VanDerWaalsContact CE1-CD2 3.47Å; F173-F219 HydrophobicContact CE1-CE2 4.07Å; F173-F219 HydrophobicContact CE1-CG 4.45Å; F173-F219 HydrophobicContact CE2-CB 4.03Å; F173-F219 AromaticContact CE2-CD2 3.78Å; F173-F219 HydrophobicContact CE2-CD2 3.78Å; F173-F219 HydrophobicContact CE2-CG 4.09Å; F173-F219 AromaticContact CG-CD2 3.98Å; F173-F219 HydrophobicContact CG-CD2 3.98Å; F173-F219 HydrophobicContact CG-CE2 4.02Å; F173-F219 HydrophobicContact CZ-CB 3.91Å; F173-F219 AromaticContact CZ-CD2 3.51Å; F173-F219 HydrophobicContact CZ-CD2 3.51Å; F173-F219 HydrophobicContact CZ-CE2 4.44Å; F173-F219 HydrophobicContact CZ-CG 4.07Å
174W98.9Very high98.6Very high41 Ų4133 Ų3316%0.15516%0.163CC..Hα-helixtrans-70.5-46-176.7-53.8-25.8000112.2V118 R121 V124 Y125 V166 H170 A171 H172 K177 A178V118-W174 VanDerWaalsContact O-CZ3 3.23Å; V118-W174 WeakPolarHBondContact O-CZ3 3.37Å; R121-W174 HydrophobicContact CB-CD2 3.84Å; R121-W174 HydrophobicContact CB-CE3 4.01Å; R121-W174 HydrophobicContact CB-CG 4.41Å; R121-W174 HydrophobicContact CB-CH2 4.11Å; R121-W174 HydrophobicContact CB-CZ2 3.97Å; R121-W174 HydrophobicContact CB-CZ3 4.14Å; R121-W174 HydrophobicContact CG-CD2 3.99Å; R121-W174 HydrophobicContact CG-CG 4.05Å; V124-W174 HydrophobicContact CB-CB 4.24Å; V124-W174 HydrophobicContact CG1-CB 3.81Å; V124-W174 HydrophobicContact CG2-CB 4.48Å; V124-W174 HydrophobicContact CG2-CE3 4.21Å; Y125-W174 WeakPolarHBondContact CE1-O 3.38Å; V166-W174 HydrophobicContact CG1-CH2 3.7Å; V166-W174 HydrophobicContact CG1-CZ3 4.01Å; H170-W174 HydrophobicContact CB-CH2 4.02Å; H170-W174 HydrophobicContact CB-CZ2 3.69Å; H170-W174 PolarHBondContact O-N 3.41Å; A171-W174 HydrophobicContact CB-CE3 4.46Å; A171-W174 PolarHBondContact O-N 2.82Å; A171-W174 VanDerWaalsContact O-N 3.15Å; H172-W174 VanDerWaalsContact C-N 3.33Å; W174-K177 PolarHBondContact O-N 3.39Å; W174-A178 WeakPolarHBondContact O-CB 3.46Å; W174-A178 PolarHBondContact O-N 3.24Å
175T98.9Very high98.6Very high1 Ų139.1 Ų39.11%0.00619%0.192CC..Hα-helixtrans-64.7-43.5176.953.90000110.9T43 W67 V124 N143 A171 H172 A178 F179T43-T175 HydrophobicContact CG2-CG2 4.27Å; W67-T175 HydrophobicContact CZ3-CG2 4.27Å; V124-T175 HydrophobicContact CG1-CG2 3.85Å; N143-T175 PolarHBondContact ND2-OG1 3.44Å; N143-T175 WeakPolarHBondContact OD1-CB 3.48Å; N143-T175 PolarHBondContact OD1-OG1 3.41Å; A171-T175 WeakPolarHBondContact O-CG2 3.39Å; A171-T175 PolarHBondContact O-N 2.85Å; A171-T175 PolarHBondContact O-OG1 2.86Å; A171-T175 VanDerWaalsContact O-OG1 3.08Å; H172-T175 PolarHBondContact O-OG1 3.43Å; T175-A178 WeakPolarHBondContact O-CB 3.49Å; T175-A178 PolarHBondContact O-N 2.91Å; T175-A178 VanDerWaalsContact O-N 3.13Å; T175-F179 WeakPolarHBondContact O-CD2 3.2Å; T175-F179 PolarHBondContact O-N 3.05Å; T175-F179 VanDerWaalsContact O-N 3.14Å
176T98.8Very high98.5Very high6 Ų640.9 Ų40.94%0.03720%0.202CC..Hα-helixtrans-62.1-45.3175-70.60000111.5H172 A178 F179 L180 I191 F219 L223H172-T176 WeakPolarHBondContact O-CB 3.36Å; H172-T176 PolarHBondContact O-N 2.91Å; H172-T176 PolarHBondContact O-OG1 3.29Å; T176-A178 PolarHBondContact O-N 3.24Å; T176-F179 PolarHBondContact O-N 3.01Å; T176-L180 HydrophobicContact CG2-CB 3.88Å; T176-L180 HydrophobicContact CG2-CD2 3.74Å; T176-L180 HydrophobicContact CG2-CG 4.42Å; T176-L180 WeakPolarHBondContact O-CB 3.36Å; T176-L180 PolarHBondContact O-N 3.47Å; T176-I191 HydrophobicContact CG2-CD1 3.91Å; T176-F219 HydrophobicContact CG2-CZ 4.14Å; T176-F219 WeakPolarHBondContact OG1-CZ 3.34Å; T176-L223 HydrophobicContact CG2-CD2 3.64Å
177K98.8Very high98.5Very high143 Ų14342.3 Ų42.362%0.62221%0.208SC*.Hα-helixtrans-59.9-29.2175.2-79-177.966160.60113.2Y125 F173 W174 P181Y125-K177 HydrophobicContact CE1-CB 4.22Å; F173-K177 VanDerWaalsContact O-CB 3.28Å; F173-K177 WeakPolarHBondContact O-CB 3.5Å; F173-K177 WeakPolarHBondContact O-CG 3.45Å; F173-K177 PolarHBondContact O-N 3.2Å; W174-K177 PolarHBondContact O-N 3.39Å; K177-P181 WeakPolarHBondContact O-CD 3.42Å; K177-P181 WeakPolarHBondContact O-CG 3.18Å
178A98.8Very high98.5Very high9 Ų945.6 Ų45.67%0.07422%0.223CC..Hα-helixtrans-76.8-32.6179.600000113.6Y125 A128 R132 W174 T175 T176Y125-A178 HydrophobicContact CD1-CB 4.02Å; Y125-A178 HydrophobicContact CE1-CB 4.22Å; A128-A178 HydrophobicContact CB-CB 3.6Å; R132-A178 PolarHBondContact NH2-O 2.97Å; W174-A178 WeakPolarHBondContact O-CB 3.46Å; W174-A178 PolarHBondContact O-N 3.24Å; T175-A178 WeakPolarHBondContact O-CB 3.49Å; T175-A178 PolarHBondContact O-N 2.91Å; T175-A178 VanDerWaalsContact O-N 3.13Å; T176-A178 PolarHBondContact O-N 3.24Å
179F98.8Very high98.5Very high11 Ų1145.8 Ų45.85%0.04823%0.225CC..Hα-helixtrans-114.7-30.5-170.5-59.4-57.7000114.8V41 W67 A128 V138 L141 T175 T176 P181 M183V41-F179 HydrophobicContact CG1-CE2 4.27Å; V41-F179 HydrophobicContact CG2-CE2 4.49Å; V41-F179 HydrophobicContact CG2-CZ 4.24Å; W67-F179 AromaticContact CH2-CE2 3.94Å; W67-F179 HydrophobicContact CH2-CE2 3.94Å; W67-F179 AromaticContact CH2-CZ 3.7Å; W67-F179 HydrophobicContact CH2-CZ 3.7Å; W67-F179 HydrophobicContact CZ2-CE2 4.28Å; W67-F179 AromaticContact CZ2-CZ 3.7Å; W67-F179 HydrophobicContact CZ2-CZ 3.7Å; A128-F179 HydrophobicContact CB-CE1 3.76Å; A128-F179 HydrophobicContact CB-CE2 4.45Å; A128-F179 HydrophobicContact CB-CZ 3.66Å; V138-F179 HydrophobicContact CB-CB 4.44Å; V138-F179 HydrophobicContact CB-CD1 3.92Å; V138-F179 HydrophobicContact CB-CE1 4.47Å; V138-F179 HydrophobicContact CB-CG 4.26Å; V138-F179 HydrophobicContact CG1-CG 4.47Å; V138-F179 HydrophobicContact CG2-CD1 3.56Å; V138-F179 HydrophobicContact CG2-CE1 3.63Å; V138-F179 HydrophobicContact CG2-CG 4.29Å; V138-F179 HydrophobicContact CG2-CZ 4.4Å; L141-F179 HydrophobicContact CD1-CD2 3.9Å; L141-F179 HydrophobicContact CD1-CE2 4.13Å; L141-F179 HydrophobicContact CD2-CD2 4.11Å; L141-F179 HydrophobicContact CG-CD2 4.49Å; T175-F179 WeakPolarHBondContact O-CD2 3.2Å; T175-F179 PolarHBondContact O-N 3.05Å; T175-F179 VanDerWaalsContact O-N 3.14Å; T176-F179 PolarHBondContact O-N 3.01Å; F179-P181 VanDerWaalsContact C-CD 3.4Å; F179-M183 HydrophobicContact CB-CE 4.37Å
180L98.6Very high98.5Very high17 Ų1745.4 Ų45.49%0.08922%0.223CC..Hα-helixtrans-60.2-36.4-178.9-179.662.2000114.7T176 K182 M183 L184 I191 L223 I227 I235T176-L180 HydrophobicContact CG2-CB 3.88Å; T176-L180 HydrophobicContact CG2-CD2 3.74Å; T176-L180 HydrophobicContact CG2-CG 4.42Å; T176-L180 WeakPolarHBondContact O-CB 3.36Å; T176-L180 PolarHBondContact O-N 3.47Å; L180-K182 VanDerWaalsContact C-N 3.27Å; L180-K182 PolarHBondContact O-N 3.01Å; L180-M183 HydrophobicContact CD1-CB 4.35Å; L180-M183 WeakPolarHBondContact O-CB 3.4Å; L180-M183 PolarHBondContact O-N 3.42Å; L180-M183 VanDerWaalsContact O-N 3.09Å; L180-L184 HydrophobicContact CD1-CD1 4.26Å; L180-L184 HydrophobicContact CD1-CD2 4.42Å; L180-L184 HydrophobicContact CD1-CG 3.92Å; L180-L184 HydrophobicContact CD2-CD1 4.3Å; L180-L184 HydrophobicContact CG-CD1 3.82Å; L180-L184 HydrophobicContact CG-CG 4.02Å; L180-L184 WeakPolarHBondContact O-CG 3.1Å; L180-L184 PolarHBondContact O-N 2.76Å; L180-I191 HydrophobicContact CB-CD1 4.36Å; L180-I191 HydrophobicContact CD1-CD1 3.95Å; L180-L223 HydrophobicContact CD2-CD1 3.83Å; L180-I227 HydrophobicContact CD1-CD1 4.37Å; L180-I235 HydrophobicContact CD1-CD1 4.16Å; L180-I235 HydrophobicContact CD1-CG2 4.45Å
181P98.4Very high98.5Very high78 Ų7841.8 Ų41.851%0.50621%0.206SC..Hα-helixtrans-54.3-41.9-178.1-29.236.6000113.5K177 F179 L184 E185K177-P181 WeakPolarHBondContact O-CD 3.42Å; K177-P181 WeakPolarHBondContact O-CG 3.18Å; F179-P181 VanDerWaalsContact C-CD 3.4Å; P181-L184 PolarHBondContact O-N 3.47Å; P181-E185 PolarHBondContact O-N 2.9Å; P181-E185 VanDerWaalsContact O-N 3.13Å
182K98Very high98.5Very high53 Ų5341.6 Ų41.623%0.2320%0.204CC..Hα-helixtrans-73.7-38177.7-167.673.2179.6171.80112.5E137 L180 L184 E185 L186E137-K182 HydrophobicContact CB-CG 4.08Å; E137-K182 VanDerWaalsContact CD-CG 3.48Å; E137-K182 HydrophobicContact CG-CD 4.21Å; E137-K182 HydrophobicContact CG-CG 3.74Å; E137-K182 WeakPolarHBondContact OE2-CB 3.33Å; E137-K182 VanDerWaalsContact OE2-CG 3.31Å; E137-K182 WeakPolarHBondContact OE2-CG 3.38Å; L180-K182 VanDerWaalsContact C-N 3.27Å; L180-K182 PolarHBondContact O-N 3.01Å; K182-L184 PolarHBondContact O-N 3.32Å; K182-E185 HydrophobicContact CD-CB 4.46Å; K182-E185 VanDerWaalsContact CD-OE2 3.32Å; K182-E185 WeakPolarHBondContact CD-OE2 3.12Å; K182-E185 IonicContact NZ-OE1 3.32Å; K182-E185 PolarHBondContact NZ-OE1 3.21Å; K182-E185 IonicContact NZ-OE2 2.93Å; K182-E185 PolarHBondContact NZ-OE2 2.97Å; K182-E185 WeakPolarHBondContact O-CB 3.28Å; K182-E185 PolarHBondContact O-N 3.5Å; K182-E185 VanDerWaalsContact O-N 3.14Å; K182-L186 HydrophobicContact CD-CD1 4.43Å; K182-L186 HydrophobicContact CD-CG 4.4Å; K182-L186 HydrophobicContact CG-CD1 3.82Å; K182-L186 HydrophobicContact CG-CG 4.14Å; K182-L186 WeakPolarHBondContact O-CG 3.44Å; K182-L186 PolarHBondContact O-N 2.93Å
183M98.6Very high98.5Very high2 Ų241.5 Ų41.51%0.0120%0.204CC..Hα-helixtrans-57.4-38.5174.1-63.6175.7177.100111.4V138 L141 F179 L180 N187 H188 I191 I235V138-M183 HydrophobicContact CG1-CE 4.08Å; V138-M183 WeakPolarHBondContact O-CE 3.35Å; L141-M183 HydrophobicContact CB-CE 4.36Å; F179-M183 HydrophobicContact CB-CE 4.37Å; L180-M183 HydrophobicContact CD1-CB 4.35Å; L180-M183 WeakPolarHBondContact O-CB 3.4Å; L180-M183 PolarHBondContact O-N 3.42Å; L180-M183 VanDerWaalsContact O-N 3.09Å; M183-N187 VanDerWaalsContact O-CA 3.26Å; M183-N187 WeakPolarHBondContact O-CA 3.34Å; M183-N187 PolarHBondContact O-N 3.31Å; M183-H188 VanDerWaalsContact CA-O 3.25Å; M183-H188 WeakPolarHBondContact CA-O 3.43Å; M183-H188 WeakPolarHBondContact CB-O 3.33Å; M183-H188 PolarHBondContact O-N 3.45Å; M183-I191 HydrophobicContact SD-CD1 4.42Å; M183-I191 HydrophobicContact SD-CG1 4.06Å; M183-I235 HydrophobicContact CB-CD1 4.15Å; M183-I235 HydrophobicContact CB-CG1 4.42Å
184L98.2Very high98.5Very high53 Ų5337.5 Ų37.528%0.27719%0.187SC..Hα-helixtrans-66.5-43.7174.2-71.6167.7000113L180 P181 K182 N187 K232 I235L180-L184 HydrophobicContact CD1-CD1 4.26Å; L180-L184 HydrophobicContact CD1-CD2 4.42Å; L180-L184 HydrophobicContact CD1-CG 3.92Å; L180-L184 HydrophobicContact CD2-CD1 4.3Å; L180-L184 HydrophobicContact CG-CD1 3.82Å; L180-L184 HydrophobicContact CG-CG 4.02Å; L180-L184 WeakPolarHBondContact O-CG 3.1Å; L180-L184 PolarHBondContact O-N 2.76Å; P181-L184 PolarHBondContact O-N 3.47Å; K182-L184 PolarHBondContact O-N 3.32Å; L184-N187 PolarHBondContact O-N 3.18Å; L184-K232 HydrophobicContact CD2-CB 4.35Å; L184-K232 HydrophobicContact CD2-CG 3.89Å; L184-K232 WeakPolarHBondContact O-CE 3.42Å; L184-K232 PolarHBondContact O-NZ 2.88Å; L184-I235 HydrophobicContact CB-CD1 4.42Å; L184-I235 HydrophobicContact CD2-CD1 3.49Å; L184-I235 VanDerWaalsContact CD2-CD1 3.49Å; L184-I235 HydrophobicContact CG-CD1 3.9Å
185E97.6Very high98.4Very high131 Ų13135.7 Ų35.761%0.61218%0.181SC*.Hα-helixtrans-60.6-47.2176.7-169-166.814000111.1P181 K182 N187P181-E185 PolarHBondContact O-N 2.9Å; P181-E185 VanDerWaalsContact O-N 3.13Å; K182-E185 HydrophobicContact CD-CB 4.46Å; K182-E185 VanDerWaalsContact CD-OE2 3.32Å; K182-E185 WeakPolarHBondContact CD-OE2 3.12Å; K182-E185 IonicContact NZ-OE1 3.32Å; K182-E185 PolarHBondContact NZ-OE1 3.21Å; K182-E185 IonicContact NZ-OE2 2.93Å; K182-E185 PolarHBondContact NZ-OE2 2.97Å; K182-E185 WeakPolarHBondContact O-CB 3.28Å; K182-E185 PolarHBondContact O-N 3.5Å; K182-E185 VanDerWaalsContact O-N 3.14Å; E185-N187 VanDerWaalsContact C-N 3.31Å; E185-N187 PolarHBondContact O-N 3.03Å
186L97.4Very high98.2Very high91 Ų9136.1 Ų36.148%0.47618%0.183SC..Hα-helixtrans-79.7-12.5-178.5-62.3177.7000113.5K182 H188K182-L186 HydrophobicContact CD-CD1 4.43Å; K182-L186 HydrophobicContact CD-CG 4.4Å; K182-L186 HydrophobicContact CG-CD1 3.82Å; K182-L186 HydrophobicContact CG-CG 4.14Å; K182-L186 WeakPolarHBondContact O-CG 3.44Å; K182-L186 PolarHBondContact O-N 2.93Å; L186-H188 HydrophobicContact CB-CB 4.26Å; L186-H188 PolarHBondContact O-N 2.87Å
187N98.1Very high97.9Very high64 Ų6436 Ų3634%0.34218%0.183SC..THydrogen-bonded Turntrans47.544.9-167-168.433.4000111.3M183 L184 E185 K232 G234M183-N187 VanDerWaalsContact O-CA 3.26Å; M183-N187 WeakPolarHBondContact O-CA 3.34Å; M183-N187 PolarHBondContact O-N 3.31Å; L184-N187 PolarHBondContact O-N 3.18Å; E185-N187 VanDerWaalsContact C-N 3.31Å; E185-N187 PolarHBondContact O-N 3.03Å; N187-K232 HydrophobicContact CB-CD 4.16Å; N187-K232 VanDerWaalsContact OD1-CA 3.31Å; N187-K232 WeakPolarHBondContact OD1-CA 3.39Å; N187-G234 VanDerWaalsContact O-CA 3.28Å; N187-G234 WeakPolarHBondContact O-CA 3.35Å; N187-G234 PolarHBondContact OD1-N 2.97Å
188H98.3Very high97.6Very high77 Ų7730.2 Ų30.236%0.35616%0.159SC..  trans-147.5122.7-179.3-17470.1000109.2Q38 D139 M183 L186 G234Q38-H188 PolarHBondContact NE2-NE2 2.85Å; D139-H188 IonicContact OD1-CD2 2.71Å; D139-H188 PolarHBondContact OD1-CD2 3.22Å; D139-H188 IonicContact OD1-NE2 3.98Å; M183-H188 VanDerWaalsContact CA-O 3.25Å; M183-H188 WeakPolarHBondContact CA-O 3.43Å; M183-H188 WeakPolarHBondContact CB-O 3.33Å; M183-H188 PolarHBondContact O-N 3.45Å; L186-H188 HydrophobicContact CB-CB 4.26Å; L186-H188 PolarHBondContact O-N 2.87Å; H188-G234 WeakPolarHBondContact CA-O 3.48Å
189G98.4Very high97.4Very high4 Ų429.9 Ų29.94%0.04116%0.156CC..EExtended strand (participates in β ladder)trans173.8173.5170.900000113.8D139 G234 I235 N236D139-G189 CarbonylContact O-C 3.36Å; D139-G189 WeakPolarHBondContact O-CA 3.49Å; G189-G234 PolarHBondContact N-O 2.99Å; G189-G234 VanDerWaalsContact N-O 3.14Å; G189-I235 WeakPolarHBondContact O-CA 3.44Å; G189-N236 PolarHBondContact O-N 3.15Å
190H98.9Very high97.1Very high1 Ų130 Ų301%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-145.9116.5171.6-159.1162.4000110.8K33 D139 I140 L141 N236 T238 I279 D282K33-H190 PolarHBondContact NZ-ND1 2.85Å; K33-H190 VanDerWaalsContact NZ-ND1 3.1Å; D139-H190 PolarHBondContact O-N 3.1Å; I140-H190 CarbonylContact C-O 3.58Å; I140-H190 WeakPolarHBondContact CA-O 3.39Å; I140-H190 HydrophobicContact CG1-CB 4.15Å; I140-H190 HydrophobicContact CG2-CB 4.36Å; L141-H190 PolarHBondContact N-O 3.33Å; H190-N236 WeakPolarHBondContact CA-O 3.46Å; H190-N236 HydrophobicContact CB-CB 4.33Å; H190-N236 VanDerWaalsContact CD2-C 3.41Å; H190-N236 PolarHBondContact CD2-O 3.48Å; H190-T238 PolarHBondContact CE1-OG1 2.89Å; H190-T238 PolarHBondContact NE2-N 3.44Å; H190-T238 PolarHBondContact NE2-OG1 3.24Å; H190-I279 PolarHBondContact CE1-O 3.5Å; H190-D282 IonicContact CE1-OD1 2.77Å; H190-D282 IonicContact ND1-OD1 3.36Å
191I98.9Very high96.6Very high0 Ų030.2 Ų30.20%016%0.157CC..EExtended strand (participates in β ladder)trans-100.7122170.5-59.2171.4000109.5L141 T176 L180 M183 L223 N236 M237 T238L141-I191 HydrophobicContact CB-CG1 4.45Å; L141-I191 HydrophobicContact CD2-CG2 4.45Å; T176-I191 HydrophobicContact CG2-CD1 3.91Å; L180-I191 HydrophobicContact CB-CD1 4.36Å; L180-I191 HydrophobicContact CD1-CD1 3.95Å; M183-I191 HydrophobicContact SD-CD1 4.42Å; M183-I191 HydrophobicContact SD-CG1 4.06Å; I191-L223 HydrophobicContact CD1-CD2 4.18Å; I191-N236 PolarHBondContact N-O 2.8Å; I191-M237 HydrophobicContact CB-CE 4.01Å; I191-M237 HydrophobicContact CB-SD 3.66Å; I191-M237 HydrophobicContact CD1-SD 4.26Å; I191-M237 HydrophobicContact CG1-SD 4.32Å; I191-M237 HydrophobicContact CG2-CE 4.11Å; I191-M237 HydrophobicContact CG2-SD 4.41Å; I191-M237 WeakPolarHBondContact O-CA 3.42Å; I191-T238 PolarHBondContact O-N 2.97Å; I191-T238 VanDerWaalsContact O-N 3.08Å
192V98.9Very high96.2Very high0 Ų029.3 Ų29.30%015%0.153CC..EExtended strand (participates in β ladder)trans-110.5126.1178-175.40000108.9L141 I142 N143 T238 V240 I279L141-V192 PolarHBondContact O-N 2.65Å; I142-V192 HydrophobicContact CD1-CB 3.51Å; I142-V192 HydrophobicContact CD1-CG1 4.14Å; I142-V192 HydrophobicContact CD1-CG2 3.41Å; I142-V192 VanDerWaalsContact CD1-CG2 3.41Å; N143-V192 WeakPolarHBondContact CB-O 3.41Å; N143-V192 PolarHBondContact N-O 3.08Å; V192-T238 VanDerWaalsContact CA-O 3.3Å; V192-T238 WeakPolarHBondContact CA-O 3.41Å; V192-T238 HydrophobicContact CG1-CG2 4.48Å; V192-V240 HydrophobicContact CG1-CG2 3.8Å; V192-I279 HydrophobicContact CG1-CD1 3.9Å; V192-I279 HydrophobicContact CG1-CG1 4.06Å; V192-I279 HydrophobicContact CG2-CD1 3.99Å; V192-I279 HydrophobicContact CG2-CG1 3.79Å; V192-I279 HydrophobicContact CG2-CG2 4.24Å
193T98.9Very high95.8Very high0 Ų027.8 Ų27.80%015%0.148CC..EExtended strand (participates in β ladder)trans-109.5113.9176.7-56.40000109.5A195 A216 H220 T238 L239 V240T193-A195 PolarHBondContact O-N 2.86Å; T193-A216 HydrophobicContact CG2-CB 4.34Å; T193-H220 WeakPolarHBondContact CB-ND1 3.43Å; T193-H220 HydrophobicContact CG2-CB 4.4Å; T193-H220 PolarHBondContact OG1-ND1 3.19Å; T193-T238 PolarHBondContact N-O 3.13Å; T193-L239 HydrophobicContact CG2-CD1 4.14Å; T193-V240 PolarHBondContact O-N 3.41Å
194V98.5Very high95.3Very high6 Ų629.4 Ų29.44%0.03616%0.162CC..EExtended strand (participates in β ladder)trans-89.794.5174.6-170.80000109L49 F53 I142 N143 N144 K213 V240L49-V194 HydrophobicContact CD1-CG1 4.22Å; F53-V194 HydrophobicContact CE2-CG2 3.89Å; F53-V194 HydrophobicContact CZ-CG2 4.25Å; I142-V194 HydrophobicContact CG2-CG2 4.09Å; N143-V194 PolarHBondContact O-N 2.83Å; N144-V194 HydrophobicContact CB-CB 4.15Å; N144-V194 HydrophobicContact CB-CG2 3.83Å; V194-K213 PolarHBondContact O-NZ 3.01Å; V194-V240 HydrophobicContact CG2-CB 4.46Å
195A96.4Very high94.8Very high3 Ų327 Ų273%0.02515%0.15CC..  trans-92.9-129.4178.200000110.1T193 I217 L239 V240T193-A195 PolarHBondContact O-N 2.86Å; A195-I217 HydrophobicContact CB-CD1 4.24Å; A195-I217 HydrophobicContact CB-CG1 3.8Å; A195-L239 HydrophobicContact CB-CD1 3.78Å; A195-V240 CarbonylContact C-O 3.6Å; A195-V240 PolarHBondContact N-O 3Å
196S94.9Very high94.5Very high9 Ų920.9 Ų20.96%0.06312%0.122CC..  trans-165.4158.8177.5-1780000108.9L198 G199 P242S196-L198 PolarHBondContact O-N 3.4Å; S196-L198 PolarHBondContact OG-N 2.96Å; S196-L198 VanDerWaalsContact OG-N 3.12Å; S196-G199 PolarHBondContact O-N 2.8Å; S196-P242 PolarHBondContact OG-O 3.36Å
197S93.1Very high94.4Very high3 Ų320.1 Ų20.12%0.02112%0.115CC..G310 helixtrans-55.8-27.6162.567.40000111.9G199 L200 F201 P242S197-G199 PolarHBondContact O-N 3.35Å; S197-L200 WeakPolarHBondContact O-CB 3.36Å; S197-L200 PolarHBondContact O-N 3.25Å; S197-F201 WeakPolarHBondContact O-CD1 3.25Å; S197-F201 WeakPolarHBondContact O-CE1 3.25Å; S197-F201 PolarHBondContact O-N 3.02Å; S197-F201 VanDerWaalsContact O-N 3.14Å; S197-P242 PolarHBondContact N-O 3.43Å; S197-P242 PolarHBondContact OG-O 3.43Å
198L92.6Very high94.2Very high23 Ų2317.7 Ų17.712%0.1210%0.102CC..G310 helixtrans-71.7-0.9174.3-71-178.1000114.9S196 F201 T203 V206 Y209 F214S196-L198 PolarHBondContact O-N 3.4Å; S196-L198 PolarHBondContact OG-N 2.96Å; S196-L198 VanDerWaalsContact OG-N 3.12Å; L198-F201 CarbonylContact C-O 3.52Å; L198-F201 WeakPolarHBondContact CA-O 3.46Å; L198-F201 HydrophobicContact CD2-CD2 4.27Å; L198-F201 HydrophobicContact CD2-CE2 4.09Å; L198-T203 HydrophobicContact CD2-CG2 4.03Å; L198-V206 HydrophobicContact CD1-CG2 4.2Å; L198-Y209 HydrophobicContact CB-CD1 4.3Å; L198-Y209 HydrophobicContact CB-CE1 4.06Å; L198-Y209 HydrophobicContact CD1-CD1 4.01Å; L198-Y209 HydrophobicContact CD1-CE1 3.98Å; L198-F214 WeakPolarHBondContact O-CD2 3.34Å; L198-F214 VanDerWaalsContact O-CE2 3.27Å; L198-F214 WeakPolarHBondContact O-CE2 3.3Å
199G93.3Very high94.1Very high2 Ų214.7 Ų14.72%0.0219%0.088CC..G310 helixtrans-91.8-10.1164.500000113.5S196 S197 F214 I217S196-G199 PolarHBondContact O-N 2.8Å; S197-G199 PolarHBondContact O-N 3.35Å; G199-F214 WeakPolarHBondContact O-CD1 3.47Å; G199-F214 WeakPolarHBondContact O-CD2 3.42Å; G199-F214 WeakPolarHBondContact O-CE1 3.29Å; G199-F214 VanDerWaalsContact O-CG 3.25Å; G199-F214 WeakPolarHBondContact O-CG 3.25Å; G199-F214 WeakPolarHBondContact O-CZ 3.38Å; G199-I217 VanDerWaalsContact C-CD1 3.47Å; G199-I217 WeakPolarHBondContact O-CD1 3.49Å
200L92.6Very high94Very high12 Ų1214.8 Ų14.86%0.0639%0.088CC..THydrogen-bonded Turntrans-102.5-37.8179.7-60.7173.3000111S197 F214 I217 C241 M285 I292 N296 K299S197-L200 WeakPolarHBondContact O-CB 3.36Å; S197-L200 PolarHBondContact O-N 3.25Å; L200-F214 VanDerWaalsContact C-CZ 3.47Å; L200-F214 WeakPolarHBondContact O-CZ 3.47Å; L200-I217 HydrophobicContact CD2-CD1 3.51Å; L200-I217 HydrophobicContact CG-CD1 3.78Å; L200-C241 HydrophobicContact CD1-CB 4Å; L200-M285 HydrophobicContact CD1-CE 3.43Å; L200-M285 VanDerWaalsContact CD1-CE 3.43Å; L200-M285 HydrophobicContact CD2-CE 3.68Å; L200-M285 HydrophobicContact CG-CE 4.18Å; L200-I292 HydrophobicContact CD1-CG2 4.49Å; L200-N296 HydrophobicContact CB-CB 4.46Å; L200-N296 PolarHBondContact O-OD1 2.85Å; L200-K299 PolarHBondContact O-NZ 2.97Å
201F89.7Confident93.9Very high23 Ų2317.1 Ų17.110%0.10111%0.108CC..SBendtrans-134.8168.4170.558.6-92.7000109.4S197 L198 I292 V295 K299 Y311S197-F201 WeakPolarHBondContact O-CD1 3.25Å; S197-F201 WeakPolarHBondContact O-CE1 3.25Å; S197-F201 PolarHBondContact O-N 3.02Å; S197-F201 VanDerWaalsContact O-N 3.14Å; L198-F201 CarbonylContact C-O 3.52Å; L198-F201 WeakPolarHBondContact CA-O 3.46Å; L198-F201 HydrophobicContact CD2-CD2 4.27Å; L198-F201 HydrophobicContact CD2-CE2 4.09Å; F201-I292 HydrophobicContact CE1-CD1 4.32Å; F201-I292 HydrophobicContact CE1-CG2 4.08Å; F201-I292 HydrophobicContact CZ-CD1 4.24Å; F201-V295 HydrophobicContact CD1-CG1 4.15Å; F201-V295 HydrophobicContact CE1-CG1 4.1Å; F201-K299 HydrophobicContact CB-CD 3.99Å; F201-Y311 WeakPolarHBondContact CD2-OH 3.44Å
202S89.1Confident93.9Very high59 Ų5917.1 Ų17.141%0.41311%0.108SC..  trans-125.5159.8-173.855.60000111.1Y311S202-Y311 WeakPolarHBondContact O-CE2 3.35Å; S202-Y311 PolarHBondContact O-OH 2.81Å
203T88.6Confident93.8Very high20 Ų2017.5 Ų17.512%0.12311%0.109CC..  trans-138.4168.8168.3-165.60000110.8L198 V206 A316 M320L198-T203 HydrophobicContact CD2-CG2 4.03Å; T203-V206 HydrophobicContact CG2-CG2 3.58Å; T203-V206 WeakPolarHBondContact O-CG2 3.47Å; T203-A316 PolarHBondContact OG1-O 2.79Å; T203-M320 HydrophobicContact CG2-CG 4.16Å
204A89.1Confident93.8Very high37 Ų3721.1 Ų21.131%0.30613%0.125SC..THydrogen-bonded Turntrans-74.6147.9-178.700000112.4M320A204-M320 WeakPolarHBondContact O-CB 3.43Å
205G87.6Confident93.8Very high3 Ų322 Ų223%0.03114%0.136CC..THydrogen-bonded Turntrans81.318174.900000115E207G205-E207 PolarHBondContact N-OE1 2.72Å
206V91.8Very high93.9Very high2 Ų221.9 Ų21.91%0.01214%0.135CC..  trans-149.636.2177.8-77.80000110.8L198 T203 D208 Y209 C210 F250 M320L198-V206 HydrophobicContact CD1-CG2 4.2Å; T203-V206 HydrophobicContact CG2-CG2 3.58Å; T203-V206 WeakPolarHBondContact O-CG2 3.47Å; V206-D208 PolarHBondContact O-N 3.36Å; V206-Y209 PolarHBondContact O-N 2.86Å; V206-C210 WeakPolarHBondContact O-CB 3.49Å; V206-C210 PolarHBondContact O-N 3.44Å; V206-F250 HydrophobicContact CG1-CE1 4.3Å; V206-M320 HydrophobicContact CG1-CE 3.26Å; V206-M320 HydrophobicContact CG1-CG 3.75Å; V206-M320 HydrophobicContact CG1-SD 3.86Å; V206-M320 HydrophobicContact CG2-CG 4.14Å
207E94.7Very high94Very high74 Ų7421.9 Ų21.935%0.34613%0.134SC..Hα-helixtrans-59.7-45.5-171.2-66.874.2-163.800112.4G205 C210 A211G205-E207 PolarHBondContact N-OE1 2.72Å; E207-C210 PolarHBondContact O-N 2.81Å; E207-A211 WeakPolarHBondContact O-CB 3.44Å; E207-A211 PolarHBondContact O-N 3.35Å
208D94.4Very high94.3Very high13 Ų1323.5 Ų23.57%0.0715%0.151CC..Hα-helixtrans-62.9-45.6177.366.6-35.9000111.9S149 I161 T164 V206 A211 S212S149-D208 WeakPolarHBondContact CB-OD2 3.47Å; S149-D208 PolarHBondContact N-OD2 3.03Å; S149-D208 PolarHBondContact OG-OD1 3.27Å; S149-D208 PolarHBondContact OG-OD2 3.36Å; I161-D208 HydrophobicContact CG2-CB 4.06Å; T164-D208 WeakPolarHBondContact CB-OD2 3.48Å; T164-D208 HydrophobicContact CG2-CB 4.16Å; T164-D208 PolarHBondContact OG1-OD2 3.36Å; V206-D208 PolarHBondContact O-N 3.36Å; D208-A211 PolarHBondContact O-N 3.4Å; D208-S212 WeakPolarHBondContact O-CB 3.44Å; D208-S212 PolarHBondContact O-N 2.96Å; D208-S212 PolarHBondContact O-OG 3.21Å
209Y95.3Very high94.6Very high14 Ų1423.2 Ų23.26%0.05515%0.149CC..Hα-helixtrans-64.3-47.6178.6-179.2-93.1000110.8V147 V148 L198 V206 S212 K213 F250V147-Y209 WeakPolarHBondContact O-CD2 3.5Å; V148-Y209 HydrophobicContact CB-CD2 4.05Å; V148-Y209 HydrophobicContact CG2-CD2 4.38Å; V148-Y209 HydrophobicContact CG2-CG 4.44Å; L198-Y209 HydrophobicContact CB-CD1 4.3Å; L198-Y209 HydrophobicContact CB-CE1 4.06Å; L198-Y209 HydrophobicContact CD1-CD1 4.01Å; L198-Y209 HydrophobicContact CD1-CE1 3.98Å; V206-Y209 PolarHBondContact O-N 2.86Å; Y209-S212 PolarHBondContact O-N 3.35Å; Y209-S212 PolarHBondContact O-OG 2.77Å; Y209-K213 HydrophobicContact CD1-CG 4.18Å; Y209-K213 HydrophobicContact CE1-CG 3.76Å; Y209-K213 HydrophobicContact CE2-CD 4.49Å; Y209-K213 HydrophobicContact CE2-CG 4.14Å; Y209-K213 WeakPolarHBondContact O-CG 3.15Å; Y209-K213 PolarHBondContact O-N 3.29Å; Y209-K213 WeakPolarHBondContact OH-CE 3.09Å; Y209-F250 HydrophobicContact CD1-CZ 4.08Å; Y209-F250 HydrophobicContact CD2-CZ 4.24Å; Y209-F250 HydrophobicContact CE1-CE2 4.43Å; Y209-F250 AromaticContact CE1-CZ 3.76Å; Y209-F250 HydrophobicContact CE1-CZ 3.76Å; Y209-F250 HydrophobicContact CE2-CE2 4.46Å; Y209-F250 AromaticContact CE2-CZ 3.94Å; Y209-F250 HydrophobicContact CE2-CZ 3.94Å; Y209-F250 HydrophobicContact CG-CZ 4.3Å; Y209-F250 AromaticContact CZ-CZ 3.69Å
210C95.9Very high94.9Very high6 Ų623.4 Ų23.44%0.04115%0.15CC..Hα-helixtrans-55.9-55.8174.1-83.10000110.6V206 E207 S212 K213 F214V206-C210 WeakPolarHBondContact O-CB 3.49Å; V206-C210 PolarHBondContact O-N 3.44Å; E207-C210 PolarHBondContact O-N 2.81Å; C210-S212 PolarHBondContact O-N 3.18Å; C210-K213 PolarHBondContact O-N 3.19Å; C210-F214 VanDerWaalsContact O-CD2 3.3Å; C210-F214 WeakPolarHBondContact O-CD2 3.41Å; C210-F214 PolarHBondContact O-N 3.03Å
211A97.6Very high95.1Very high51 Ų5127.6 Ų27.642%0.42117%0.169SC..Hα-helixtrans-52.7-44.8179.200000111.9M165 E207 D208 K213 F214 G215M165-A211 HydrophobicContact SD-CB 4.11Å; E207-A211 WeakPolarHBondContact O-CB 3.44Å; E207-A211 PolarHBondContact O-N 3.35Å; D208-A211 PolarHBondContact O-N 3.4Å; A211-K213 PolarHBondContact O-N 2.8Å; A211-F214 PolarHBondContact O-N 3.48Å; A211-G215 PolarHBondContact O-N 2.84Å
212S98.1Very high95.5Very high0 Ų030.1 Ų30.10%019%0.189CC..Hα-helixtrans-64.5-38.3178.680.60000113.5M165 N168 D208 Y209 C210 G215 A216M165-S212 VanDerWaalsContact SD-CA 3.56Å; N168-S212 VanDerWaalsContact CB-OG 3.28Å; N168-S212 WeakPolarHBondContact CB-OG 3.18Å; N168-S212 PolarHBondContact ND2-OG 2.94Å; D208-S212 WeakPolarHBondContact O-CB 3.44Å; D208-S212 PolarHBondContact O-N 2.96Å; D208-S212 PolarHBondContact O-OG 3.21Å; Y209-S212 PolarHBondContact O-N 3.35Å; Y209-S212 PolarHBondContact O-OG 2.77Å; C210-S212 PolarHBondContact O-N 3.18Å; S212-G215 PolarHBondContact O-N 2.92Å; S212-A216 PolarHBondContact O-N 3.33Å
213K97.6Very high96Very high7 Ų727.9 Ų27.93%0.0317%0.173CC..Hα-helixtrans-78.6-32.2-180-66.7-56.5-173.8-179.90112.5V194 Y209 C210 A211 G215 A216 I217V194-K213 PolarHBondContact O-NZ 3.01Å; Y209-K213 HydrophobicContact CD1-CG 4.18Å; Y209-K213 HydrophobicContact CE1-CG 3.76Å; Y209-K213 HydrophobicContact CE2-CD 4.49Å; Y209-K213 HydrophobicContact CE2-CG 4.14Å; Y209-K213 WeakPolarHBondContact O-CG 3.15Å; Y209-K213 PolarHBondContact O-N 3.29Å; Y209-K213 WeakPolarHBondContact OH-CE 3.09Å; C210-K213 PolarHBondContact O-N 3.19Å; A211-K213 PolarHBondContact O-N 2.8Å; K213-G215 VanDerWaalsContact C-N 3.33Å; K213-A216 PolarHBondContact O-N 3.36Å; K213-I217 WeakPolarHBondContact O-CG1 3.49Å; K213-I217 PolarHBondContact O-N 2.92Å
214F98.3Very high96.4Very high76 Ų7628 Ų2833%0.33317%0.174SC..Hα-helixtrans-61.4-43.8165.7-87.3-93.9000110.5L198 G199 L200 C210 A211 A216 I217 G218L198-F214 WeakPolarHBondContact O-CD2 3.34Å; L198-F214 VanDerWaalsContact O-CE2 3.27Å; L198-F214 WeakPolarHBondContact O-CE2 3.3Å; G199-F214 WeakPolarHBondContact O-CD1 3.47Å; G199-F214 WeakPolarHBondContact O-CD2 3.42Å; G199-F214 WeakPolarHBondContact O-CE1 3.29Å; G199-F214 VanDerWaalsContact O-CG 3.25Å; G199-F214 WeakPolarHBondContact O-CG 3.25Å; G199-F214 WeakPolarHBondContact O-CZ 3.38Å; L200-F214 VanDerWaalsContact C-CZ 3.47Å; L200-F214 WeakPolarHBondContact O-CZ 3.47Å; C210-F214 VanDerWaalsContact O-CD2 3.3Å; C210-F214 WeakPolarHBondContact O-CD2 3.41Å; C210-F214 PolarHBondContact O-N 3.03Å; A211-F214 PolarHBondContact O-N 3.48Å; F214-A216 PolarHBondContact O-N 3.33Å; F214-I217 PolarHBondContact O-N 3.24Å; F214-G218 PolarHBondContact O-N 3.19Å
215G98.6Very high96.8Very high26 Ų2632.8 Ų32.827%0.26819%0.19SC..Hα-helixtrans-58.7-44174.100000113C169 A211 S212 K213 I217 G218 F219C169-G215 VanDerWaalsContact SG-C 3.58Å; A211-G215 PolarHBondContact O-N 2.84Å; S212-G215 PolarHBondContact O-N 2.92Å; K213-G215 VanDerWaalsContact C-N 3.33Å; G215-I217 VanDerWaalsContact C-N 3.35Å; G215-I217 PolarHBondContact O-N 3.26Å; G215-G218 PolarHBondContact O-N 3.47Å; G215-F219 WeakPolarHBondContact O-CB 3.25Å; G215-F219 PolarHBondContact O-N 2.82Å
216A98.6Very high97.3Very high0 Ų038.8 Ų38.80%022%0.217CC..Hα-helixtrans-63.4-37.1176.300000113.2T193 S212 K213 F214 H220T193-A216 HydrophobicContact CG2-CB 4.34Å; S212-A216 PolarHBondContact O-N 3.33Å; K213-A216 PolarHBondContact O-N 3.36Å; F214-A216 PolarHBondContact O-N 3.33Å; A216-H220 WeakPolarHBondContact O-CB 3.44Å; A216-H220 PolarHBondContact O-N 3.41Å
217I98.6Very high97.5Very high8 Ų839 Ų394%0.04122%0.218CC..Hα-helixtrans-69.3-46.7174.9-68.2-174.1000110.7A195 G199 L200 K213 F214 G215 F219 H220 E221 L239A195-I217 HydrophobicContact CB-CD1 4.24Å; A195-I217 HydrophobicContact CB-CG1 3.8Å; G199-I217 VanDerWaalsContact C-CD1 3.47Å; G199-I217 WeakPolarHBondContact O-CD1 3.49Å; L200-I217 HydrophobicContact CD2-CD1 3.51Å; L200-I217 HydrophobicContact CG-CD1 3.78Å; K213-I217 WeakPolarHBondContact O-CG1 3.49Å; K213-I217 PolarHBondContact O-N 2.92Å; F214-I217 PolarHBondContact O-N 3.24Å; G215-I217 VanDerWaalsContact C-N 3.35Å; G215-I217 PolarHBondContact O-N 3.26Å; I217-F219 VanDerWaalsContact C-N 3.3Å; I217-F219 PolarHBondContact O-N 3.43Å; I217-H220 WeakPolarHBondContact O-CB 3.43Å; I217-H220 PolarHBondContact O-N 3.24Å; I217-E221 HydrophobicContact CG2-CG 4.21Å; I217-E221 WeakPolarHBondContact O-CG 3.36Å; I217-E221 PolarHBondContact O-N 3.43Å; I217-L239 HydrophobicContact CB-CD2 4.46Å; I217-L239 HydrophobicContact CD1-CD2 4.25Å; I217-L239 HydrophobicContact CG1-CD1 4.05Å; I217-L239 HydrophobicContact CG1-CD2 3.99Å; I217-L239 HydrophobicContact CG2-CD2 4Å
218G98.5Very high97.5Very high37 Ų3742.5 Ų42.538%0.38123%0.232SC..Hα-helixtrans-58.9-41.9176.500000112.4F214 G215 S222F214-G218 PolarHBondContact O-N 3.19Å; G215-G218 PolarHBondContact O-N 3.47Å; G218-S222 VanDerWaalsContact O-CB 3.22Å; G218-S222 WeakPolarHBondContact O-CB 3.49Å; G218-S222 PolarHBondContact O-N 3.12Å
219F98.7Very high97.5Very high18 Ų1846 Ų468%0.07926%0.262CS..Hα-helixtrans-56.1-51.3170.3163.5-100.9000111.8H172 F173 T176 G215 I217 S222 L223H172-F219 HydrophobicContact CB-CD1 3.95Å; H172-F219 HydrophobicContact CB-CE1 3.7Å; H172-F219 HydrophobicContact CB-CZ 4.2Å; F173-F219 AromaticContact CD1-CD2 3.7Å; F173-F219 HydrophobicContact CD1-CD2 3.7Å; F173-F219 AromaticContact CD1-CE2 3.84Å; F173-F219 HydrophobicContact CD1-CE2 3.84Å; F173-F219 HydrophobicContact CD2-CD2 4.01Å; F173-F219 HydrophobicContact CD2-CE2 4.39Å; F173-F219 AromaticContact CE1-CD2 3.47Å; F173-F219 HydrophobicContact CE1-CD2 3.47Å; F173-F219 VanDerWaalsContact CE1-CD2 3.47Å; F173-F219 HydrophobicContact CE1-CE2 4.07Å; F173-F219 HydrophobicContact CE1-CG 4.45Å; F173-F219 HydrophobicContact CE2-CB 4.03Å; F173-F219 AromaticContact CE2-CD2 3.78Å; F173-F219 HydrophobicContact CE2-CD2 3.78Å; F173-F219 HydrophobicContact CE2-CG 4.09Å; F173-F219 AromaticContact CG-CD2 3.98Å; F173-F219 HydrophobicContact CG-CD2 3.98Å; F173-F219 HydrophobicContact CG-CE2 4.02Å; F173-F219 HydrophobicContact CZ-CB 3.91Å; F173-F219 AromaticContact CZ-CD2 3.51Å; F173-F219 HydrophobicContact CZ-CD2 3.51Å; F173-F219 HydrophobicContact CZ-CE2 4.44Å; F173-F219 HydrophobicContact CZ-CG 4.07Å; T176-F219 HydrophobicContact CG2-CZ 4.14Å; T176-F219 WeakPolarHBondContact OG1-CZ 3.34Å; G215-F219 WeakPolarHBondContact O-CB 3.25Å; G215-F219 PolarHBondContact O-N 2.82Å; I217-F219 VanDerWaalsContact C-N 3.3Å; I217-F219 PolarHBondContact O-N 3.43Å; F219-S222 PolarHBondContact O-N 3Å; F219-L223 HydrophobicContact CE1-CD2 4.29Å; F219-L223 HydrophobicContact CE2-CD2 4.16Å; F219-L223 HydrophobicContact CZ-CD2 3.72Å; F219-L223 VanDerWaalsContact O-CB 3.29Å; F219-L223 WeakPolarHBondContact O-CB 3.38Å; F219-L223 PolarHBondContact O-N 3.29Å
220H98.8Very high97.5Very high6 Ų647.9 Ų47.93%0.02828%0.278CS..Hα-helixtrans-62-47.2-177.5-175.795.2000112.4T193 A216 I217 S224 T238 L239T193-H220 WeakPolarHBondContact CB-ND1 3.43Å; T193-H220 HydrophobicContact CG2-CB 4.4Å; T193-H220 PolarHBondContact OG1-ND1 3.19Å; A216-H220 WeakPolarHBondContact O-CB 3.44Å; A216-H220 PolarHBondContact O-N 3.41Å; I217-H220 WeakPolarHBondContact O-CB 3.43Å; I217-H220 PolarHBondContact O-N 3.24Å; H220-S224 VanDerWaalsContact O-CB 3.32Å; H220-S224 WeakPolarHBondContact O-CB 3.37Å; H220-S224 PolarHBondContact O-N 3.44Å; H220-S224 PolarHBondContact O-OG 3.48Å; H220-T238 PolarHBondContact CE1-O 3.34Å; H220-L239 HydrophobicContact CB-CD1 4.28Å; H220-L239 PolarHBondContact CE1-N 2.99Å; H220-L239 PolarHBondContact NE2-N 3.29Å
221E98.2Very high97.3Very high100 Ų10055.4 Ų55.447%0.46731%0.313SS..Hα-helixtrans-64-48179.9-70.9-176.4167.600110.9I217 L223 S224 H225I217-E221 HydrophobicContact CG2-CG 4.21Å; I217-E221 WeakPolarHBondContact O-CG 3.36Å; I217-E221 PolarHBondContact O-N 3.43Å; E221-L223 PolarHBondContact O-N 3.09Å; E221-S224 WeakPolarHBondContact O-CB 3.4Å; E221-S224 PolarHBondContact O-N 3.17Å; E221-H225 PolarHBondContact O-CD2 3.25Å; E221-H225 PolarHBondContact O-N 3.14Å
222S98.5Very high97.1Very high76 Ų7656.1 Ų56.153%0.53131%0.306SS..Hα-helixtrans-59-48.3178-172.70000111.7G218 F219 S224 H225 E226G218-S222 VanDerWaalsContact O-CB 3.22Å; G218-S222 WeakPolarHBondContact O-CB 3.49Å; G218-S222 PolarHBondContact O-N 3.12Å; F219-S222 PolarHBondContact O-N 3Å; S222-S224 VanDerWaalsContact C-N 3.32Å; S222-S224 PolarHBondContact O-N 3.43Å; S222-H225 PolarHBondContact O-N 3.23Å; S222-E226 PolarHBondContact O-N 3.11Å
223L98.4Very high96.8Very high12 Ų1262.9 Ų62.96%0.06334%0.342CS..Hα-helixtrans-64.9-36.9179179.261000112.1T176 L180 I191 F219 E221 H225 E226 I227 M237T176-L223 HydrophobicContact CG2-CD2 3.64Å; L180-L223 HydrophobicContact CD2-CD1 3.83Å; I191-L223 HydrophobicContact CD1-CD2 4.18Å; F219-L223 HydrophobicContact CE1-CD2 4.29Å; F219-L223 HydrophobicContact CE2-CD2 4.16Å; F219-L223 HydrophobicContact CZ-CD2 3.72Å; F219-L223 VanDerWaalsContact O-CB 3.29Å; F219-L223 WeakPolarHBondContact O-CB 3.38Å; F219-L223 PolarHBondContact O-N 3.29Å; E221-L223 PolarHBondContact O-N 3.09Å; L223-H225 VanDerWaalsContact C-N 3.29Å; L223-H225 PolarHBondContact O-N 3.01Å; L223-E226 PolarHBondContact O-N 2.95Å; L223-I227 HydrophobicContact CD1-CD1 4.1Å; L223-I227 HydrophobicContact CD1-CG1 4.2Å; L223-I227 HydrophobicContact CG-CD1 3.9Å; L223-I227 HydrophobicContact CG-CG1 4.44Å; L223-I227 WeakPolarHBondContact O-CG1 3.39Å; L223-I227 PolarHBondContact O-N 3.2Å; L223-M237 HydrophobicContact CB-CE 4.32Å; L223-M237 HydrophobicContact CD2-CE 3.72Å; L223-M237 HydrophobicContact CG-CE 3.96Å
224S97.8Very high96.8Very high22 Ų2263.5 Ų63.515%0.15435%0.351CS..Hα-helixtrans-62.6-37.5175.8-61.90000112H220 E221 S222 K228 M237H220-S224 VanDerWaalsContact O-CB 3.32Å; H220-S224 WeakPolarHBondContact O-CB 3.37Å; H220-S224 PolarHBondContact O-N 3.44Å; H220-S224 PolarHBondContact O-OG 3.48Å; E221-S224 WeakPolarHBondContact O-CB 3.4Å; E221-S224 PolarHBondContact O-N 3.17Å; S222-S224 VanDerWaalsContact C-N 3.32Å; S222-S224 PolarHBondContact O-N 3.43Å; S224-K228 WeakPolarHBondContact O-CG 3.44Å; S224-K228 PolarHBondContact O-N 2.95Å; S224-M237 WeakPolarHBondContact OG-CB 3.21Å; S224-M237 WeakPolarHBondContact OG-CG 3.33Å
225H97.1Very high96.8Very high137 Ų13760.4 Ų60.463%0.63434%0.338SS*.Hα-helixtrans-68.4-41.5173.5-78.6-69000112.1E221 S222 L223 K228 A229E221-H225 PolarHBondContact O-CD2 3.25Å; E221-H225 PolarHBondContact O-N 3.14Å; S222-H225 PolarHBondContact O-N 3.23Å; L223-H225 VanDerWaalsContact C-N 3.29Å; L223-H225 PolarHBondContact O-N 3.01Å; H225-K228 PolarHBondContact O-N 3.38Å; H225-A229 WeakPolarHBondContact O-CB 3.37Å; H225-A229 PolarHBondContact O-N 3.44Å
226E97.8Very high96.8Very high129 Ų12961.3 Ų61.360%0.60334%0.337SS*.Hα-helixtrans-61.1-46.7177.2-171.7178.4141.900112S222 L223 K228 A229 S230S222-E226 PolarHBondContact O-N 3.11Å; L223-E226 PolarHBondContact O-N 2.95Å; E226-K228 PolarHBondContact O-N 2.6Å; E226-A229 PolarHBondContact O-N 2.94Å; E226-S230 PolarHBondContact O-N 3.24Å
227I96.8Very high96.8Very high7 Ų762.2 Ų62.24%0.03634%0.341CS..Hα-helixtrans-60.6-45.4177.3-70165.6000110.8L180 L223 A229 S230 K232 I235 M237L180-I227 HydrophobicContact CD1-CD1 4.37Å; L223-I227 HydrophobicContact CD1-CD1 4.1Å; L223-I227 HydrophobicContact CD1-CG1 4.2Å; L223-I227 HydrophobicContact CG-CD1 3.9Å; L223-I227 HydrophobicContact CG-CG1 4.44Å; L223-I227 WeakPolarHBondContact O-CG1 3.39Å; L223-I227 PolarHBondContact O-N 3.2Å; I227-A229 VanDerWaalsContact C-N 3.34Å; I227-A229 PolarHBondContact O-N 3.16Å; I227-S230 PolarHBondContact O-N 3.34Å; I227-S230 VanDerWaalsContact O-N 3.14Å; I227-S230 PolarHBondContact O-OG 3.15Å; I227-K232 HydrophobicContact CG2-CB 4.38Å; I227-I235 HydrophobicContact CD1-CG2 3.93Å; I227-I235 HydrophobicContact CG2-CB 3.9Å; I227-I235 HydrophobicContact CG2-CG2 4.26Å; I227-M237 HydrophobicContact CD1-CE 4.42Å; I227-M237 HydrophobicContact CD1-CG 3.97Å; I227-M237 HydrophobicContact CD1-SD 3.48Å; I227-M237 WeakPolarHBondContact CD1-SD 3.37Å
228K93.4Very high96.8Very high148 Ų14861.9 Ų61.964%0.64334%0.339SS*.Hα-helixtrans-63.5-38.9176.4-74.9180179.7178.70112.6S224 H225 E226 S230 E231S224-K228 WeakPolarHBondContact O-CG 3.44Å; S224-K228 PolarHBondContact O-N 2.95Å; H225-K228 PolarHBondContact O-N 3.38Å; E226-K228 PolarHBondContact O-N 2.6Å; K228-S230 PolarHBondContact O-N 3.37Å; K228-E231 PolarHBondContact O-N 3.1Å
229A95.8Very high96.8Very high85 Ų8560.2 Ų60.270%0.70232%0.321SS*.Hα-helixtrans-67-24.7176.300000112.5H225 E226 I227 E231H225-A229 WeakPolarHBondContact O-CB 3.37Å; H225-A229 PolarHBondContact O-N 3.44Å; E226-A229 PolarHBondContact O-N 2.94Å; I227-A229 VanDerWaalsContact C-N 3.34Å; I227-A229 PolarHBondContact O-N 3.16Å; A229-E231 VanDerWaalsContact C-N 3.26Å; A229-E231 PolarHBondContact O-N 3.06Å
230S93.9Very high96.8Very high54 Ų5459.4 Ų59.438%0.37832%0.318SS..THydrogen-bonded Turntrans-81.42.1174.376.30000114.7E226 I227 K228 K232E226-S230 PolarHBondContact O-N 3.24Å; I227-S230 PolarHBondContact O-N 3.34Å; I227-S230 VanDerWaalsContact O-N 3.14Å; I227-S230 PolarHBondContact O-OG 3.15Å; K228-S230 PolarHBondContact O-N 3.37Å; S230-K232 PolarHBondContact O-N 2.73Å; S230-K232 VanDerWaalsContact OG-CG 3.27Å; S230-K232 WeakPolarHBondContact OG-CG 3.41Å
231E93.2Very high96.7Very high165 Ų16559.1 Ų59.177%0.77132%0.317SS*.THydrogen-bonded Turntrans57.728.8-178.9-55.6-177.9172.400113.4K228 A229 D233K228-E231 PolarHBondContact O-N 3.1Å; A229-E231 VanDerWaalsContact C-N 3.26Å; A229-E231 PolarHBondContact O-N 3.06Å; E231-D233 PolarHBondContact O-N 3.34Å
232K91.8Very high96.5Very high65 Ų6554.7 Ų54.728%0.28330%0.297SS..  trans-95.677.4178-66.4-72.5-179.8169.60110.9L184 N187 I227 S230 G234 I235L184-K232 HydrophobicContact CD2-CB 4.35Å; L184-K232 HydrophobicContact CD2-CG 3.89Å; L184-K232 WeakPolarHBondContact O-CE 3.42Å; L184-K232 PolarHBondContact O-NZ 2.88Å; N187-K232 HydrophobicContact CB-CD 4.16Å; N187-K232 VanDerWaalsContact OD1-CA 3.31Å; N187-K232 WeakPolarHBondContact OD1-CA 3.39Å; I227-K232 HydrophobicContact CG2-CB 4.38Å; S230-K232 PolarHBondContact O-N 2.73Å; S230-K232 VanDerWaalsContact OG-CG 3.27Å; S230-K232 WeakPolarHBondContact OG-CG 3.41Å; K232-G234 PolarHBondContact O-N 3.35Å; K232-I235 HydrophobicContact CB-CD1 4.17Å; K232-I235 PolarHBondContact O-N 3.14Å
233D93.2Very high96.1Very high142 Ų14252.3 Ų52.376%0.75928%0.276SS*.THydrogen-bonded Turntrans-69.1-13.7-176.6-69.2-34.5000114.5E231 I235E231-D233 PolarHBondContact O-N 3.34Å; D233-I235 VanDerWaalsContact C-N 3.35Å
234G97.1Very high95.4Very high21 Ų2153.1 Ų53.122%0.21628%0.281CS..THydrogen-bonded Turntrans-87.6-0.5-179.100000114.7N187 H188 G189 K232N187-G234 VanDerWaalsContact O-CA 3.28Å; N187-G234 WeakPolarHBondContact O-CA 3.35Å; N187-G234 PolarHBondContact OD1-N 2.97Å; H188-G234 WeakPolarHBondContact CA-O 3.48Å; G189-G234 PolarHBondContact N-O 2.99Å; G189-G234 VanDerWaalsContact N-O 3.14Å; K232-G234 PolarHBondContact O-N 3.35Å
235I98Very high94.7Very high11 Ų1152.8 Ų52.86%0.05628%0.278CS..EExtended strand (participates in β ladder)trans-104.4114.2176.2-54.4175.7000109.5L180 M183 L184 G189 I227 K232 D233L180-I235 HydrophobicContact CD1-CD1 4.16Å; L180-I235 HydrophobicContact CD1-CG2 4.45Å; M183-I235 HydrophobicContact CB-CD1 4.15Å; M183-I235 HydrophobicContact CB-CG1 4.42Å; L184-I235 HydrophobicContact CB-CD1 4.42Å; L184-I235 HydrophobicContact CD2-CD1 3.49Å; L184-I235 VanDerWaalsContact CD2-CD1 3.49Å; L184-I235 HydrophobicContact CG-CD1 3.9Å; G189-I235 WeakPolarHBondContact O-CA 3.44Å; I227-I235 HydrophobicContact CD1-CG2 3.93Å; I227-I235 HydrophobicContact CG2-CB 3.9Å; I227-I235 HydrophobicContact CG2-CG2 4.26Å; K232-I235 HydrophobicContact CB-CD1 4.17Å; K232-I235 PolarHBondContact O-N 3.14Å; D233-I235 VanDerWaalsContact C-N 3.35Å
236N98.2Very high94.1Very high45 Ų4551.5 Ų51.524%0.24128%0.275CS..EExtended strand (participates in β ladder)trans-92.3152.9179.5-64.4-71.7000111.4G189 H190 I191 D282G189-N236 PolarHBondContact O-N 3.15Å; H190-N236 WeakPolarHBondContact CA-O 3.46Å; H190-N236 HydrophobicContact CB-CB 4.33Å; H190-N236 VanDerWaalsContact CD2-C 3.41Å; H190-N236 PolarHBondContact CD2-O 3.48Å; I191-N236 PolarHBondContact N-O 2.8Å; N236-D282 VanDerWaalsContact CG-OD1 3.23Å; N236-D282 PolarHBondContact ND2-OD1 3.14Å
237M98.4Very high93Very high19 Ų1947.8 Ų47.89%0.09426%0.261CS..EExtended strand (participates in β ladder)trans-131.3126.9176.5-61.5-64.1-67.900108.4I191 L223 S224 I227 P284I191-M237 HydrophobicContact CB-CE 4.01Å; I191-M237 HydrophobicContact CB-SD 3.66Å; I191-M237 HydrophobicContact CD1-SD 4.26Å; I191-M237 HydrophobicContact CG1-SD 4.32Å; I191-M237 HydrophobicContact CG2-CE 4.11Å; I191-M237 HydrophobicContact CG2-SD 4.41Å; I191-M237 WeakPolarHBondContact O-CA 3.42Å; L223-M237 HydrophobicContact CB-CE 4.32Å; L223-M237 HydrophobicContact CD2-CE 3.72Å; L223-M237 HydrophobicContact CG-CE 3.96Å; S224-M237 WeakPolarHBondContact OG-CB 3.21Å; S224-M237 WeakPolarHBondContact OG-CG 3.33Å; I227-M237 HydrophobicContact CD1-CE 4.42Å; I227-M237 HydrophobicContact CD1-CG 3.97Å; I227-M237 HydrophobicContact CD1-SD 3.48Å; I227-M237 WeakPolarHBondContact CD1-SD 3.37Å; M237-P284 WeakPolarHBondContact O-CA 3.43Å
238T98.8Very high92.1Very high0 Ų049.3 Ų49.30%028%0.279CS..EExtended strand (participates in β ladder)trans-127.1122.2172.3-70.90000111.1H190 I191 V192 T193 H220 V240 A278 I279 Q283H190-T238 PolarHBondContact CE1-OG1 2.89Å; H190-T238 PolarHBondContact NE2-N 3.44Å; H190-T238 PolarHBondContact NE2-OG1 3.24Å; I191-T238 PolarHBondContact O-N 2.97Å; I191-T238 VanDerWaalsContact O-N 3.08Å; V192-T238 VanDerWaalsContact CA-O 3.3Å; V192-T238 WeakPolarHBondContact CA-O 3.41Å; V192-T238 HydrophobicContact CG1-CG2 4.48Å; T193-T238 PolarHBondContact N-O 3.13Å; H220-T238 PolarHBondContact CE1-O 3.34Å; T238-V240 HydrophobicContact CG2-CG2 4.06Å; T238-A278 HydrophobicContact CG2-CB 4.13Å; T238-I279 HydrophobicContact CG2-CG1 4.04Å; T238-Q283 WeakPolarHBondContact CB-O 3.28Å; T238-Q283 WeakPolarHBondContact CG2-O 3.49Å; T238-Q283 PolarHBondContact OG1-O 2.85Å
239L98.7Very high91.5Very high2 Ų245.3 Ų45.31%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-94.6121.5172-179.560.3000111T193 A195 I217 H220 P284 M285 V286T193-L239 HydrophobicContact CG2-CD1 4.14Å; A195-L239 HydrophobicContact CB-CD1 3.78Å; I217-L239 HydrophobicContact CB-CD2 4.46Å; I217-L239 HydrophobicContact CD1-CD2 4.25Å; I217-L239 HydrophobicContact CG1-CD1 4.05Å; I217-L239 HydrophobicContact CG1-CD2 3.99Å; I217-L239 HydrophobicContact CG2-CD2 4Å; H220-L239 HydrophobicContact CB-CD1 4.28Å; H220-L239 PolarHBondContact CE1-N 2.99Å; H220-L239 PolarHBondContact NE2-N 3.29Å; L239-P284 PolarHBondContact N-O 3.07Å; L239-M285 HydrophobicContact CB-CB 4.28Å; L239-M285 HydrophobicContact CB-CG 4.27Å; L239-M285 HydrophobicContact CD2-CG 4.16Å; L239-M285 HydrophobicContact CD2-SD 4.21Å; L239-M285 HydrophobicContact CG-CG 4.38Å; L239-M285 CarbonylContact O-C 3.6Å; L239-M285 VanDerWaalsContact O-CA 3.29Å; L239-M285 WeakPolarHBondContact O-CA 3.38Å; L239-V286 PolarHBondContact O-N 3.45Å
240V98.5Very high90.7Very high1 Ų142.5 Ų42.51%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-104.9115178.5-170.80000109.3V192 T193 V194 A195 T238 P242 A275 V286V192-V240 HydrophobicContact CG1-CG2 3.8Å; T193-V240 PolarHBondContact O-N 3.41Å; V194-V240 HydrophobicContact CG2-CB 4.46Å; A195-V240 CarbonylContact C-O 3.6Å; A195-V240 PolarHBondContact N-O 3Å; T238-V240 HydrophobicContact CG2-CG2 4.06Å; V240-P242 VanDerWaalsContact C-CD 3.49Å; V240-P242 VanDerWaalsContact O-CD 3.25Å; V240-P242 WeakPolarHBondContact O-CD 3.45Å; V240-A275 HydrophobicContact CG1-CB 3.61Å; V240-A275 HydrophobicContact CG2-CB 4.04Å; V240-V286 HydrophobicContact CB-CG1 4.18Å; V240-V286 HydrophobicContact CG1-CG1 4.01Å; V240-V286 HydrophobicContact CG2-CG1 4.02Å
241C97.3Very high90.1Very high0 Ų047.3 Ų47.30%025%0.249CC..EExtended strand (participates in β ladder)trans-11877.4-177.5-69.20000111.1L200 V286 C287 T288L200-C241 HydrophobicContact CD1-CB 4Å; C241-V286 PolarHBondContact N-O 3.34Å; C241-C287 WeakPolarHBondContact O-CA 3.34Å; C241-T288 PolarHBondContact O-N 3.37Å
242P94.1Very high89.2Confident8 Ų840.2 Ų40.25%0.05222%0.22CC..EExtended strand (participates in β ladder)trans-76.2142.117832.6-35.4000111.7S196 S197 V240 V245 C271S196-P242 PolarHBondContact OG-O 3.36Å; S197-P242 PolarHBondContact N-O 3.43Å; S197-P242 PolarHBondContact OG-O 3.43Å; V240-P242 VanDerWaalsContact C-CD 3.49Å; V240-P242 VanDerWaalsContact O-CD 3.25Å; V240-P242 WeakPolarHBondContact O-CD 3.45Å; P242-V245 HydrophobicContact CB-CG2 3.71Å; P242-V245 HydrophobicContact CG-CG2 4.24Å; P242-C271 WeakPolarHBondContact CB-SG 3.48Å
243Y89.1Confident88.7Confident25 Ų2538.2 Ų38.210%0.09821%0.214CC..  trans-73.1158.5158.4174.3-111.6000110.1V245 I255 L263 L266 T288 I292Y243-V245 WeakPolarHBondContact O-CG2 3.47Å; Y243-V245 PolarHBondContact O-N 3.43Å; Y243-I255 WeakPolarHBondContact OH-CG2 3.37Å; Y243-L263 HydrophobicContact CD1-CD1 4.41Å; Y243-L263 HydrophobicContact CD1-CG 4.35Å; Y243-L263 HydrophobicContact CE1-CD1 4.34Å; Y243-L263 HydrophobicContact CE1-CD2 4.39Å; Y243-L263 HydrophobicContact CE1-CG 3.82Å; Y243-L263 HydrophobicContact CE2-CD2 4.39Å; Y243-L266 HydrophobicContact CD1-CG 4.44Å; Y243-L266 WeakPolarHBondContact O-CD1 3.41Å; Y243-T288 WeakPolarHBondContact CB-O 3.28Å; Y243-T288 PolarHBondContact N-O 3.11Å; Y243-I292 HydrophobicContact CD2-CD1 4.15Å; Y243-I292 HydrophobicContact CG-CD1 4.32Å
244L84.8Confident88.1Confident30 Ų3038.9 Ų38.916%0.15721%0.206CC..SBendtrans-18.4103.5177.2-175.664.7000113.8F250 C253 P265 L266L244-F250 HydrophobicContact CD1-CB 3.76Å; L244-F250 HydrophobicContact CD1-CG 4.33Å; L244-C253 HydrophobicContact CD1-CB 4.17Å; L244-P265 HydrophobicContact CD2-CB 4.24Å; L244-P265 HydrophobicContact CD2-CG 4Å; L244-P265 HydrophobicContact CG-CB 4.32Å; L244-P265 CarbonylContact O-C 3.6Å; L244-P265 WeakPolarHBondContact O-CA 3.11Å; L244-L266 PolarHBondContact O-N 3.04Å
245V83.1Confident87.3Confident15 Ų1539.1 Ų39.19%0.09120%0.202CC..BIsolated β-bridgetrans-102.8135.4-179.8-165.90000109.9L49 P242 Y243 T247 P268 C271L49-V245 HydrophobicContact CD2-CG1 4.12Å; P242-V245 HydrophobicContact CB-CG2 3.71Å; P242-V245 HydrophobicContact CG-CG2 4.24Å; Y243-V245 WeakPolarHBondContact O-CG2 3.47Å; Y243-V245 PolarHBondContact O-N 3.43Å; V245-T247 HydrophobicContact CB-CG2 4.21Å; V245-T247 HydrophobicContact CG1-CG2 3.75Å; V245-T247 PolarHBondContact O-N 3.14Å; V245-P268 HydrophobicContact CG1-CB 4.2Å; V245-P268 HydrophobicContact CG1-CG 4Å; V245-C271 HydrophobicContact CG1-CB 4.28Å; V245-C271 HydrophobicContact CG2-CB 4.37Å
246N83.8Confident86.6Confident110 Ų11043 Ų4359%0.58822%0.216SC*.  trans-80.264.2179.8-16410.3000112.8L266 P268N246-L266 PolarHBondContact N-O 3.01Å; N246-P268 WeakPolarHBondContact O-CG 3.16Å
247T75.1Confident85.9Confident50 Ų5048.4 Ų48.431%0.30724%0.238SC..SBendtrans-98.3-1.1177.256.20000113.7L49 V245 P268L49-T247 HydrophobicContact CD2-CG2 4.29Å; L49-T247 HydrophobicContact CG-CG2 4.19Å; V245-T247 HydrophobicContact CB-CG2 4.21Å; V245-T247 HydrophobicContact CG1-CG2 3.75Å; V245-T247 PolarHBondContact O-N 3.14Å; T247-P268 HydrophobicContact CG2-CB 4.21Å; T247-P268 HydrophobicContact CG2-CG 3.94Å
248G76.8Confident85.3Confident39 Ų3953.1 Ų53.140%0.40226%0.26SS..SBendtrans93.5-22.7-173.300000114.7F250 K251G248-F250 VanDerWaalsContact C-N 3.31Å; G248-F250 PolarHBondContact O-N 2.75Å; G248-K251 VanDerWaalsContact O-CB 3.31Å; G248-K251 WeakPolarHBondContact O-CB 3.31Å; G248-K251 PolarHBondContact O-N 2.85Å; G248-K251 VanDerWaalsContact O-N 3.17Å
249M81.4Confident84.5Confident64 Ų6454.4 Ų54.432%0.31527%0.266SS..THydrogen-bonded Turntrans-57.4-41.2-178.8-177.6179.8-7500112.9G146 V148 F323G146-M249 WeakPolarHBondContact O-CE 3.45Å; V148-M249 HydrophobicContact CG1-CG 3.8Å; M249-F323 WeakPolarHBondContact O-CE2 3.36Å
250F80.4Confident83.7Confident26 Ų2658.5 Ų58.511%0.11429%0.285CS..THydrogen-bonded Turntrans-109.226.8179.3-66.5-77.7000112.7V148 V206 Y209 L244 G248 G252 C253 M320V148-F250 HydrophobicContact CG2-CE1 4.26Å; V206-F250 HydrophobicContact CG1-CE1 4.3Å; Y209-F250 HydrophobicContact CD1-CZ 4.08Å; Y209-F250 HydrophobicContact CD2-CZ 4.24Å; Y209-F250 HydrophobicContact CE1-CE2 4.43Å; Y209-F250 AromaticContact CE1-CZ 3.76Å; Y209-F250 HydrophobicContact CE1-CZ 3.76Å; Y209-F250 HydrophobicContact CE2-CE2 4.46Å; Y209-F250 AromaticContact CE2-CZ 3.94Å; Y209-F250 HydrophobicContact CE2-CZ 3.94Å; Y209-F250 HydrophobicContact CG-CZ 4.3Å; Y209-F250 AromaticContact CZ-CZ 3.69Å; L244-F250 HydrophobicContact CD1-CB 3.76Å; L244-F250 HydrophobicContact CD1-CG 4.33Å; G248-F250 VanDerWaalsContact C-N 3.31Å; G248-F250 PolarHBondContact O-N 2.75Å; F250-G252 PolarHBondContact O-N 2.85Å; F250-G252 VanDerWaalsContact O-N 3.1Å; F250-C253 HydrophobicContact CB-CB 4.29Å; F250-C253 WeakPolarHBondContact O-CB 3.44Å; F250-C253 PolarHBondContact O-N 2.89Å; F250-M320 HydrophobicContact CD1-CE 3.61Å; F250-M320 HydrophobicContact CD1-SD 4.25Å; F250-M320 HydrophobicContact CE1-CE 3.97Å
251K79.6Confident83Confident155 Ų15563.3 Ų63.367%0.67432%0.316SS*.THydrogen-bonded Turntrans-58.2117.3-179.9-175.5-178.3-179.5-177.70109.9G248 F323G248-K251 VanDerWaalsContact O-CB 3.31Å; G248-K251 WeakPolarHBondContact O-CB 3.31Å; G248-K251 PolarHBondContact O-N 2.85Å; G248-K251 VanDerWaalsContact O-N 3.17Å; K251-F323 WeakPolarHBondContact O-CD2 3.24Å
252G76.1Confident82.3Confident16 Ų1671.9 Ų71.917%0.16535%0.354CS..THydrogen-bonded Turntrans110.8-14-176.100000113.9F250 R254 P322 F323F250-G252 PolarHBondContact O-N 2.85Å; F250-G252 VanDerWaalsContact O-N 3.1Å; G252-R254 PolarHBondContact O-N 3.12Å; G252-P322 WeakPolarHBondContact O-CB 3.36Å; G252-F323 PolarHBondContact O-N 2.99Å
253C81.2Confident81.9Confident23 Ų2373.3 Ų73.316%0.15536%0.361CS..  trans-62.1132.3169.3179.40000110L244 F250 C319 M320L244-C253 HydrophobicContact CD1-CB 4.17Å; F250-C253 HydrophobicContact CB-CB 4.29Å; F250-C253 WeakPolarHBondContact O-CB 3.44Å; F250-C253 PolarHBondContact O-N 2.89Å; C253-C319 CarbonylContact C-O 3.57Å; C253-C319 WeakPolarHBondContact CA-O 3.45Å; C253-C319 PolarHBondContact SG-O 3.43Å; C253-C319 VanDerWaalsContact SG-O 3.39Å; C253-M320 HydrophobicContact CB-SD 4.1Å; C253-M320 VanDerWaalsContact SG-SD 3.7Å
254R79.6Confident81.8Confident157 Ų15775.2 Ų75.259%0.59238%0.376SS*.  trans-131.8121.4-178.4-65.9-173.3-176.2-162.1-0.3110.8G252 C319 P322G252-R254 PolarHBondContact O-N 3.12Å; R254-C319 PolarHBondContact N-O 3.1Å; R254-C319 WeakPolarHBondContact O-CA 3.26Å; R254-C319 VanDerWaalsContact O-CB 3.26Å; R254-C319 WeakPolarHBondContact O-CB 3.49Å; R254-P322 HydrophobicContact CB-CG 4.33Å; R254-P322 HydrophobicContact CG-CG 4.37Å
255I80.9Confident81.9Confident26 Ų2676 Ų7613%0.13338%0.384CS..  trans-85170165.257.3165.8000110.2Y243 K257 E260 L263 C319Y243-I255 WeakPolarHBondContact OH-CG2 3.37Å; I255-K257 PolarHBondContact O-N 3.2Å; I255-E260 HydrophobicContact CD1-CB 4.07Å; I255-E260 HydrophobicContact CD1-CG 4.43Å; I255-E260 HydrophobicContact CG1-CB 4.21Å; I255-L263 VanDerWaalsContact CD1-O 3.24Å; I255-L263 WeakPolarHBondContact CD1-O 3.29Å; I255-C319 HydrophobicContact CG2-CB 4.36Å
256R83.2Confident82.1Confident92 Ų9276 Ų7635%0.34738%0.383SS..  trans-56129.7175.6179.8170.9-178.1-170.41.6111.1E258 I259 E260 F313 L314R256-E258 VanDerWaalsContact C-N 3.26Å; R256-E258 WeakPolarHBondContact CD-OE2 3.49Å; R256-E258 WeakPolarHBondContact CG-OE2 3.44Å; R256-E258 IonicContact CZ-OE2 3.77Å; R256-E258 IonicContact NE-OE2 2.81Å; R256-E258 PolarHBondContact NE-OE2 2.83Å; R256-E258 IonicContact NH2-OE2 3.92Å; R256-E258 PolarHBondContact O-N 2.92Å; R256-I259 HydrophobicContact CB-CB 4.45Å; R256-I259 HydrophobicContact CB-CD1 4.13Å; R256-I259 HydrophobicContact CB-CG1 4.13Å; R256-I259 HydrophobicContact CG-CD1 4.4Å; R256-I259 HydrophobicContact CG-CG1 4.2Å; R256-I259 PolarHBondContact O-N 3.44Å; R256-E260 PolarHBondContact O-N 3.48Å; R256-E260 VanDerWaalsContact O-N 3.15Å; R256-F313 WeakPolarHBondContact CD-O 3.27Å; R256-F313 PolarHBondContact NH1-O 3.29Å; R256-L314 WeakPolarHBondContact CB-O 3.15Å; R256-L314 PolarHBondContact N-O 3.15Å
257K82.9Confident82.6Confident158 Ų15873.8 Ų73.869%0.68738%0.376SS*.THydrogen-bonded Turntrans-58.4-35.3-174-70.4-174.4179.4-179.50113.3I255 I259 P261I255-K257 PolarHBondContact O-N 3.2Å; K257-I259 PolarHBondContact O-N 3.3Å; K257-P261 VanDerWaalsContact O-CD 3.27Å; K257-P261 WeakPolarHBondContact O-CD 3.5Å
258E85.8Confident83.5Confident119 Ų11972.7 Ų72.756%0.55637%0.369SS*.THydrogen-bonded Turntrans-70.1-17.7179.3-59.679.6-167.600112.8R256R256-E258 VanDerWaalsContact C-N 3.26Å; R256-E258 WeakPolarHBondContact CD-OE2 3.49Å; R256-E258 WeakPolarHBondContact CG-OE2 3.44Å; R256-E258 IonicContact CZ-OE2 3.77Å; R256-E258 IonicContact NE-OE2 2.81Å; R256-E258 PolarHBondContact NE-OE2 2.83Å; R256-E258 IonicContact NH2-OE2 3.92Å; R256-E258 PolarHBondContact O-N 2.92Å
259I81.7Confident84.3Confident27 Ų2774.4 Ų74.414%0.13837%0.369CS..THydrogen-bonded Turntrans-100.8-26.7-176.3-55.8-170.6000111.5R256 K257 P261 F262 L263 L314R256-I259 HydrophobicContact CB-CB 4.45Å; R256-I259 HydrophobicContact CB-CD1 4.13Å; R256-I259 HydrophobicContact CB-CG1 4.13Å; R256-I259 HydrophobicContact CG-CD1 4.4Å; R256-I259 HydrophobicContact CG-CG1 4.2Å; R256-I259 PolarHBondContact O-N 3.44Å; K257-I259 PolarHBondContact O-N 3.3Å; I259-P261 VanDerWaalsContact C-CD 3.41Å; I259-P261 VanDerWaalsContact C-N 3.3Å; I259-F262 WeakPolarHBondContact O-CA 3.1Å; I259-F262 PolarHBondContact O-N 3.48Å; I259-L263 HydrophobicContact CG2-CB 4.4Å; I259-L263 PolarHBondContact O-N 2.97Å; I259-L314 VanDerWaalsContact CD1-CA 3.48Å; I259-L314 HydrophobicContact CD1-CB 4.07Å; I259-L314 HydrophobicContact CD1-CD2 3.36Å; I259-L314 HydrophobicContact CD1-CG 4.28Å
260E82.7Confident84.9Confident88 Ų8875.5 Ų75.541%0.41137%0.373SS..THydrogen-bonded Turntrans-50.8-39178.8-170.5174.3-173.300114.4I255 R256 F262 L263 P264I255-E260 HydrophobicContact CD1-CB 4.07Å; I255-E260 HydrophobicContact CD1-CG 4.43Å; I255-E260 HydrophobicContact CG1-CB 4.21Å; R256-E260 PolarHBondContact O-N 3.48Å; R256-E260 VanDerWaalsContact O-N 3.15Å; E260-F262 PolarHBondContact O-N 2.75Å; E260-L263 CarbonylContact O-C 3.43Å; E260-L263 PolarHBondContact O-N 3.2Å; E260-P264 WeakPolarHBondContact O-CA 3.49Å; E260-P264 WeakPolarHBondContact O-CB 3.43Å; E260-P264 VanDerWaalsContact O-CD 3.3Å; E260-P264 WeakPolarHBondContact O-CD 3.35Å
261P84.1Confident85.7Confident101 Ų10174.3 Ų74.366%0.65637%0.368SS*.THydrogen-bonded Turntrans-63.2-27.6174.1-24.535.4000114.3K257 I259K257-P261 VanDerWaalsContact O-CD 3.27Å; K257-P261 WeakPolarHBondContact O-CD 3.5Å; I259-P261 VanDerWaalsContact C-CD 3.41Å; I259-P261 VanDerWaalsContact C-N 3.3Å
262F82.5Confident86.5Confident180 Ų18067 Ų6779%0.78934%0.336SS*.THydrogen-bonded Turntrans-92.9-29.6-178.5-61.5-79.8000112.9I259 E260I259-F262 WeakPolarHBondContact O-CA 3.1Å; I259-F262 PolarHBondContact O-N 3.48Å; E260-F262 PolarHBondContact O-N 2.75Å
263L85.4Confident87.5Confident39 Ų3971.8 Ų71.820%0.20435%0.352CS..SBendtrans-135.163.4179.1-166.961.7000111.3Y243 I255 I259 E260 P289 I291Y243-L263 HydrophobicContact CD1-CD1 4.41Å; Y243-L263 HydrophobicContact CD1-CG 4.35Å; Y243-L263 HydrophobicContact CE1-CD1 4.34Å; Y243-L263 HydrophobicContact CE1-CD2 4.39Å; Y243-L263 HydrophobicContact CE1-CG 3.82Å; Y243-L263 HydrophobicContact CE2-CD2 4.39Å; I255-L263 VanDerWaalsContact CD1-O 3.24Å; I255-L263 WeakPolarHBondContact CD1-O 3.29Å; I259-L263 HydrophobicContact CG2-CB 4.4Å; I259-L263 PolarHBondContact O-N 2.97Å; E260-L263 CarbonylContact O-C 3.43Å; E260-L263 PolarHBondContact O-N 3.2Å; L263-P289 HydrophobicContact CD1-CG 3.51Å; L263-I291 HydrophobicContact CD1-CG2 3.77Å
264P85.8Confident88.2Confident65 Ų6573.5 Ų73.542%0.42236%0.358SS..PPolyproline II helixtrans-68.8157-176.628.4-35.1000111.5E260 L266E260-P264 WeakPolarHBondContact O-CA 3.49Å; E260-P264 WeakPolarHBondContact O-CB 3.43Å; E260-P264 VanDerWaalsContact O-CD 3.3Å; E260-P264 WeakPolarHBondContact O-CD 3.35Å; P264-L266 PolarHBondContact O-N 3.44Å
265P87Confident89.1Confident47 Ų4766 Ų6631%0.30533%0.329SS..PPolyproline II helixtrans-51.8136.8166.6-23.633000110.9L244L244-P265 HydrophobicContact CD2-CB 4.24Å; L244-P265 HydrophobicContact CD2-CG 4Å; L244-P265 HydrophobicContact CG-CB 4.32Å; L244-P265 CarbonylContact O-C 3.6Å; L244-P265 WeakPolarHBondContact O-CA 3.11Å
266L88.8Confident89.9Confident14 Ų1464.8 Ų64.87%0.07332%0.323CS..BIsolated β-bridgetrans-73.3139.7-178.7-64179.8000111.1Y243 L244 N246 P264 F270 T288 P289Y243-L266 HydrophobicContact CD1-CG 4.44Å; Y243-L266 WeakPolarHBondContact O-CD1 3.41Å; L244-L266 PolarHBondContact O-N 3.04Å; N246-L266 PolarHBondContact N-O 3.01Å; P264-L266 PolarHBondContact O-N 3.44Å; L266-F270 HydrophobicContact CD2-CD1 4.09Å; L266-F270 HydrophobicContact CD2-CE1 4.2Å; L266-T288 HydrophobicContact CD1-CG2 3.58Å; L266-T288 WeakPolarHBondContact CD1-O 3.46Å; L266-T288 HydrophobicContact CD2-CG2 4.34Å; L266-P289 HydrophobicContact CD2-CG 4.42Å
267S93.7Very high90.5Very high64 Ų6464.5 Ų64.545%0.44832%0.322SS..PPolyproline II helixtrans-67.3136.4163.971.30000109.5D269 F270 C271S267-D269 VanDerWaalsContact C-N 3.3Å; S267-D269 PolarHBondContact O-N 3.07Å; S267-F270 PolarHBondContact O-N 3.48Å; S267-F270 WeakPolarHBondContact OG-CB 3.37Å; S267-F270 PolarHBondContact OG-N 3.44Å; S267-C271 PolarHBondContact O-N 3.41Å
268P93.7Very high91.2Very high26 Ų2657 Ų5717%0.16929%0.289CS..Hα-helixtrans-53.6-44177.7-29.536.4000113.4L49 L52 V245 N246 T247 F270 C271 V272L49-P268 HydrophobicContact CD2-CB 4.44Å; L52-P268 HydrophobicContact CD1-CB 3.28Å; V245-P268 HydrophobicContact CG1-CB 4.2Å; V245-P268 HydrophobicContact CG1-CG 4Å; N246-P268 WeakPolarHBondContact O-CG 3.16Å; T247-P268 HydrophobicContact CG2-CB 4.21Å; T247-P268 HydrophobicContact CG2-CG 3.94Å; P268-F270 PolarHBondContact O-N 2.94Å; P268-C271 WeakPolarHBondContact O-CB 3.43Å; P268-C271 PolarHBondContact O-N 3.14Å; P268-V272 PolarHBondContact O-N 3.27Å
269D94.2Very high91.8Very high75 Ų7551.3 Ų51.340%0.40126%0.263SS..Hα-helixtrans-61.8-41.6178.2-66.8-94.2000113S267 K273S267-D269 VanDerWaalsContact C-N 3.3Å; S267-D269 PolarHBondContact O-N 3.07Å; D269-K273 WeakPolarHBondContact O-CB 3.38Å; D269-K273 VanDerWaalsContact O-CG 3.25Å; D269-K273 WeakPolarHBondContact O-CG 3.21Å; D269-K273 PolarHBondContact O-N 2.96Å
270F94.7Very high92.6Very high88 Ų8850.1 Ų50.139%0.38626%0.257SS..Hα-helixtrans-65-43.8176.9175.8-102.5000111L266 S267 P268 K273 Q274 T288L266-F270 HydrophobicContact CD2-CD1 4.09Å; L266-F270 HydrophobicContact CD2-CE1 4.2Å; S267-F270 PolarHBondContact O-N 3.48Å; S267-F270 WeakPolarHBondContact OG-CB 3.37Å; S267-F270 PolarHBondContact OG-N 3.44Å; P268-F270 PolarHBondContact O-N 2.94Å; F270-K273 PolarHBondContact O-N 3.45Å; F270-Q274 HydrophobicContact CD1-CG 4.43Å; F270-Q274 HydrophobicContact CE1-CG 3.98Å; F270-Q274 HydrophobicContact CE2-CG 4.07Å; F270-Q274 HydrophobicContact CZ-CG 3.78Å; F270-Q274 WeakPolarHBondContact O-CG 3.46Å; F270-Q274 PolarHBondContact O-N 3.06Å; F270-T288 HydrophobicContact CD1-CG2 4.07Å; F270-T288 HydrophobicContact CE1-CG2 3.62Å
271C95.6Very high93.2Very high1 Ų146.9 Ų46.91%0.00724%0.243CC..Hα-helixtrans-57.6-50.9176.7179.40000111.6L49 P242 V245 S267 P268 K273 Q274 A275L49-C271 HydrophobicContact CD2-CB 4.25Å; P242-C271 WeakPolarHBondContact CB-SG 3.48Å; V245-C271 HydrophobicContact CG1-CB 4.28Å; V245-C271 HydrophobicContact CG2-CB 4.37Å; S267-C271 PolarHBondContact O-N 3.41Å; P268-C271 WeakPolarHBondContact O-CB 3.43Å; P268-C271 PolarHBondContact O-N 3.14Å; C271-K273 PolarHBondContact O-N 3.36Å; C271-Q274 PolarHBondContact O-N 3.5Å; C271-A275 WeakPolarHBondContact O-CB 3.43Å; C271-A275 PolarHBondContact O-N 3.04Å
272V97.3Very high93.8Very high1 Ų144.6 Ų44.61%0.00623%0.226CC..Hα-helixtrans-64.8-39.1178.8175.10000111.6L49 L52 F53 E56 P268 Q274 A275 M276L49-V272 HydrophobicContact CB-CG2 4.29Å; L49-V272 HydrophobicContact CD2-CG2 3.58Å; L52-V272 HydrophobicContact CB-CB 4.15Å; L52-V272 HydrophobicContact CB-CG1 4.23Å; L52-V272 HydrophobicContact CB-CG2 3.6Å; L52-V272 HydrophobicContact CD1-CG2 4.27Å; F53-V272 HydrophobicContact CD1-CG1 3.76Å; F53-V272 HydrophobicContact CD2-CG2 4.37Å; F53-V272 HydrophobicContact CE1-CG1 4.03Å; F53-V272 HydrophobicContact CE2-CG2 4.34Å; F53-V272 HydrophobicContact CG-CG1 4.1Å; E56-V272 HydrophobicContact CB-CG1 4.37Å; E56-V272 HydrophobicContact CG-CG1 3.85Å; P268-V272 PolarHBondContact O-N 3.27Å; V272-Q274 VanDerWaalsContact C-N 3.34Å; V272-Q274 PolarHBondContact O-N 3.32Å; V272-A275 PolarHBondContact O-N 3.41Å; V272-M276 HydrophobicContact CG1-CG 3.92Å; V272-M276 WeakPolarHBondContact O-CB 3.3Å; V272-M276 VanDerWaalsContact O-CG 3.29Å; V272-M276 WeakPolarHBondContact O-CG 3.37Å; V272-M276 PolarHBondContact O-N 3.38Å
273K96.6Very high94.4Very high117 Ų11738.4 Ų38.451%0.50920%0.199SC..Hα-helixtrans-60.6-41.6175.6-77173.9179.6178.60112.7D269 F270 C271 R277D269-K273 WeakPolarHBondContact O-CB 3.38Å; D269-K273 VanDerWaalsContact O-CG 3.25Å; D269-K273 WeakPolarHBondContact O-CG 3.21Å; D269-K273 PolarHBondContact O-N 2.96Å; F270-K273 PolarHBondContact O-N 3.45Å; C271-K273 PolarHBondContact O-N 3.36Å; K273-R277 WeakPolarHBondContact O-CB 3.32Å; K273-R277 PolarHBondContact O-N 3.27Å
274Q96.6Very high94.8Very high58 Ų5840.2 Ų40.227%0.27121%0.213SC..Hα-helixtrans-66.2-41.3174.9-66.3-56.2-58.700111.7F270 C271 V272 R277 A278 T288F270-Q274 HydrophobicContact CD1-CG 4.43Å; F270-Q274 HydrophobicContact CE1-CG 3.98Å; F270-Q274 HydrophobicContact CE2-CG 4.07Å; F270-Q274 HydrophobicContact CZ-CG 3.78Å; F270-Q274 WeakPolarHBondContact O-CG 3.46Å; F270-Q274 PolarHBondContact O-N 3.06Å; C271-Q274 PolarHBondContact O-N 3.5Å; V272-Q274 VanDerWaalsContact C-N 3.34Å; V272-Q274 PolarHBondContact O-N 3.32Å; Q274-R277 PolarHBondContact O-N 3.25Å; Q274-A278 PolarHBondContact O-N 3.15Å; Q274-T288 HydrophobicContact CB-CG2 4.22Å; Q274-T288 HydrophobicContact CG-CG2 4Å
275A97.9Very high95.3Very high0 Ų039.2 Ų39.20%020%0.203CC..Hα-helixtrans-64.1-46.9176.400000112.2F53 V240 C271 V272 R277 A278 I279F53-A275 HydrophobicContact CE1-CB 3.67Å; F53-A275 HydrophobicContact CZ-CB 3.54Å; V240-A275 HydrophobicContact CG1-CB 3.61Å; V240-A275 HydrophobicContact CG2-CB 4.04Å; C271-A275 WeakPolarHBondContact O-CB 3.43Å; C271-A275 PolarHBondContact O-N 3.04Å; V272-A275 PolarHBondContact O-N 3.41Å; A275-R277 VanDerWaalsContact C-N 3.32Å; A275-R277 PolarHBondContact O-N 3.42Å; A275-A278 WeakPolarHBondContact O-CA 3.4Å; A275-A278 WeakPolarHBondContact O-CB 3.44Å; A275-A278 PolarHBondContact O-N 3.44Å; A275-A278 VanDerWaalsContact O-N 3.08Å; A275-I279 VanDerWaalsContact O-CG1 3.25Å; A275-I279 WeakPolarHBondContact O-CG1 3.13Å; A275-I279 PolarHBondContact O-N 3.28Å
276M98.1Very high95.8Very high0 Ų037.3 Ų37.30%019%0.191CC..Hα-helixtrans-58.6-44175.6-75.4-59.2-58.100111.6F53 E56 F57 V272 A278 I279 L280F53-M276 HydrophobicContact CD1-CG 4.16Å; F53-M276 HydrophobicContact CD1-SD 3.68Å; F53-M276 HydrophobicContact CE1-CG 4.28Å; F53-M276 HydrophobicContact CE1-SD 4.08Å; E56-M276 HydrophobicContact CB-CE 4.3Å; E56-M276 HydrophobicContact CB-CG 3.71Å; E56-M276 HydrophobicContact CB-SD 4.16Å; E56-M276 HydrophobicContact CG-CG 4.14Å; F57-M276 HydrophobicContact CD1-CE 3.89Å; F57-M276 HydrophobicContact CD2-CE 3.98Å; F57-M276 HydrophobicContact CD2-SD 3.78Å; F57-M276 HydrophobicContact CE1-CE 3.79Å; F57-M276 HydrophobicContact CE1-SD 4.41Å; F57-M276 HydrophobicContact CE2-CE 3.89Å; F57-M276 HydrophobicContact CE2-SD 3.46Å; F57-M276 WeakPolarHBondContact CE2-SD 3.33Å; F57-M276 HydrophobicContact CG-CE 3.97Å; F57-M276 HydrophobicContact CG-SD 4.38Å; F57-M276 HydrophobicContact CZ-CE 3.79Å; F57-M276 HydrophobicContact CZ-SD 3.81Å; V272-M276 HydrophobicContact CG1-CG 3.92Å; V272-M276 WeakPolarHBondContact O-CB 3.3Å; V272-M276 VanDerWaalsContact O-CG 3.29Å; V272-M276 WeakPolarHBondContact O-CG 3.37Å; V272-M276 PolarHBondContact O-N 3.38Å; M276-A278 VanDerWaalsContact C-N 3.31Å; M276-A278 PolarHBondContact O-N 2.99Å; M276-I279 PolarHBondContact O-N 2.99Å; M276-I279 HydrophobicContact SD-CD1 4.13Å; M276-L280 HydrophobicContact CE-CD1 4.31Å; M276-L280 HydrophobicContact CE-CG 4.45Å; M276-L280 WeakPolarHBondContact O-CB 3.21Å; M276-L280 WeakPolarHBondContact O-CD1 3.44Å; M276-L280 WeakPolarHBondContact O-CG 3.34Å; M276-L280 PolarHBondContact O-N 2.79Å
277R96.4Very high96.1Very high86 Ų8636.7 Ų36.733%0.32519%0.187SC..Hα-helixtrans-58.3-45.1174-175.7175.5177.6170.8-2.3111.5R29 K273 Q274 A275 I279 L280 T281R29-R277 VanDerWaalsContact CD-NH2 3.33Å; K273-R277 WeakPolarHBondContact O-CB 3.32Å; K273-R277 PolarHBondContact O-N 3.27Å; Q274-R277 PolarHBondContact O-N 3.25Å; A275-R277 VanDerWaalsContact C-N 3.32Å; A275-R277 PolarHBondContact O-N 3.42Å; R277-I279 PolarHBondContact O-N 3.03Å; R277-L280 PolarHBondContact O-N 3.39Å; R277-T281 WeakPolarHBondContact O-CB 3.41Å; R277-T281 WeakPolarHBondContact O-CG2 3.48Å; R277-T281 PolarHBondContact O-N 3.13Å; R277-T281 PolarHBondContact O-OG1 3.3Å
278A97.1Very high96.1Very high0 Ų033.8 Ų33.80%017%0.167CC..Hα-helixtrans-59.5-47.2176.500000111.7T238 Q274 A275 M276 L280 T281 D282 Q283 V286T238-A278 HydrophobicContact CG2-CB 4.13Å; Q274-A278 PolarHBondContact O-N 3.15Å; A275-A278 WeakPolarHBondContact O-CA 3.4Å; A275-A278 WeakPolarHBondContact O-CB 3.44Å; A275-A278 PolarHBondContact O-N 3.44Å; A275-A278 VanDerWaalsContact O-N 3.08Å; M276-A278 VanDerWaalsContact C-N 3.31Å; M276-A278 PolarHBondContact O-N 2.99Å; A278-L280 PolarHBondContact O-N 2.87Å; A278-T281 CarbonylContact O-C 3.54Å; A278-T281 PolarHBondContact O-N 3.16Å; A278-T281 PolarHBondContact O-OG1 2.85Å; A278-D282 PolarHBondContact O-N 3.17Å; A278-D282 VanDerWaalsContact O-N 3.1Å; A278-Q283 HydrophobicContact CB-CB 3.91Å; A278-Q283 HydrophobicContact CB-CG 4.48Å; A278-Q283 PolarHBondContact O-N 2.91Å; A278-V286 HydrophobicContact CB-CB 3.66Å; A278-V286 HydrophobicContact CB-CG1 3.55Å; A278-V286 HydrophobicContact CB-CG2 4.19Å
279I98.4Very high96.1Very high0 Ų034 Ų340%017%0.169CC..Hα-helixtrans-60-43.4177.8-64.6162.8000111.4K33 F53 F57 I142 H190 V192 T238 A275 M276 R277 T281 D282K33-I279 WeakPolarHBondContact CE-O 3.48Å; F53-I279 HydrophobicContact CD1-CD1 4.46Å; F53-I279 HydrophobicContact CE1-CD1 3.85Å; F57-I279 HydrophobicContact CZ-CD1 4.42Å; F57-I279 HydrophobicContact CZ-CG2 4.18Å; I142-I279 HydrophobicContact CD1-CD1 4.35Å; H190-I279 PolarHBondContact CE1-O 3.5Å; V192-I279 HydrophobicContact CG1-CD1 3.9Å; V192-I279 HydrophobicContact CG1-CG1 4.06Å; V192-I279 HydrophobicContact CG2-CD1 3.99Å; V192-I279 HydrophobicContact CG2-CG1 3.79Å; V192-I279 HydrophobicContact CG2-CG2 4.24Å; T238-I279 HydrophobicContact CG2-CG1 4.04Å; A275-I279 VanDerWaalsContact O-CG1 3.25Å; A275-I279 WeakPolarHBondContact O-CG1 3.13Å; A275-I279 PolarHBondContact O-N 3.28Å; M276-I279 PolarHBondContact O-N 2.99Å; M276-I279 HydrophobicContact SD-CD1 4.13Å; R277-I279 PolarHBondContact O-N 3.03Å; I279-T281 VanDerWaalsContact C-N 3.29Å; I279-T281 PolarHBondContact O-N 3.21Å; I279-D282 PolarHBondContact O-N 3.06Å
280L97.8Very high95.9Very high2 Ų236.4 Ų36.41%0.0117%0.172CC..Hα-helixtrans-76.1-19-177-63.4166000112.8E32 K33 V35 M276 R277 A278E32-L280 CarbonylContact C-O 3.37Å; E32-L280 WeakPolarHBondContact CA-O 3.41Å; E32-L280 HydrophobicContact CB-CB 3.93Å; E32-L280 HydrophobicContact CG-CB 3.93Å; E32-L280 HydrophobicContact CG-CD1 4.48Å; E32-L280 WeakPolarHBondContact OE2-CD1 3.31Å; K33-L280 WeakPolarHBondContact CG-O 3.37Å; K33-L280 PolarHBondContact N-O 2.93Å; K33-L280 WeakPolarHBondContact O-CD2 3.3Å; V35-L280 HydrophobicContact CG1-CD2 3.65Å; V35-L280 HydrophobicContact CG2-CD2 4.26Å; M276-L280 HydrophobicContact CE-CD1 4.31Å; M276-L280 HydrophobicContact CE-CG 4.45Å; M276-L280 WeakPolarHBondContact O-CB 3.21Å; M276-L280 WeakPolarHBondContact O-CD1 3.44Å; M276-L280 WeakPolarHBondContact O-CG 3.34Å; M276-L280 PolarHBondContact O-N 2.79Å; R277-L280 PolarHBondContact O-N 3.39Å; A278-L280 PolarHBondContact O-N 2.87Å
281T96Very high95.7Very high20 Ų2035.9 Ų35.912%0.12317%0.172CC..THydrogen-bonded Turntrans-104.611.6176.262.70000113.4P30 E32 R277 A278 I279 Q283P30-T281 HydrophobicContact CB-CG2 3.93Å; P30-T281 HydrophobicContact CG-CG2 4.49Å; E32-T281 HydrophobicContact CG-CG2 4.14Å; R277-T281 WeakPolarHBondContact O-CB 3.41Å; R277-T281 WeakPolarHBondContact O-CG2 3.48Å; R277-T281 PolarHBondContact O-N 3.13Å; R277-T281 PolarHBondContact O-OG1 3.3Å; A278-T281 CarbonylContact O-C 3.54Å; A278-T281 PolarHBondContact O-N 3.16Å; A278-T281 PolarHBondContact O-OG1 2.85Å; I279-T281 VanDerWaalsContact C-N 3.29Å; I279-T281 PolarHBondContact O-N 3.21Å; T281-Q283 PolarHBondContact O-N 2.72Å; T281-Q283 VanDerWaalsContact O-N 3.16Å
282D96.1Very high95.5Very high54 Ų5436 Ų3629%0.28917%0.173SC..THydrogen-bonded Turntrans50.639.2-177.9-59-46.1000112.6K33 H190 N236 A278 I279 P284K33-D282 WeakPolarHBondContact CE-OD1 3.32Å; K33-D282 IonicContact NZ-OD1 3.61Å; K33-D282 PolarHBondContact NZ-OD1 3.37Å; K33-D282 IonicContact NZ-OD2 3.79Å; H190-D282 IonicContact CE1-OD1 2.77Å; H190-D282 IonicContact ND1-OD1 3.36Å; N236-D282 VanDerWaalsContact CG-OD1 3.23Å; N236-D282 PolarHBondContact ND2-OD1 3.14Å; A278-D282 PolarHBondContact O-N 3.17Å; A278-D282 VanDerWaalsContact O-N 3.1Å; I279-D282 PolarHBondContact O-N 3.06Å; D282-P284 WeakPolarHBondContact O-CD 3.16Å
283Q95.1Very high95.2Very high50 Ų5039.3 Ų39.323%0.23419%0.186CC..  trans-75.2122.1178.6-175.8179.6-22.100108.7T238 A278 T281 M285T238-Q283 WeakPolarHBondContact CB-O 3.28Å; T238-Q283 WeakPolarHBondContact CG2-O 3.49Å; T238-Q283 PolarHBondContact OG1-O 2.85Å; A278-Q283 HydrophobicContact CB-CB 3.91Å; A278-Q283 HydrophobicContact CB-CG 4.48Å; A278-Q283 PolarHBondContact O-N 2.91Å; T281-Q283 PolarHBondContact O-N 2.72Å; T281-Q283 VanDerWaalsContact O-N 3.16Å; Q283-M285 VanDerWaalsContact C-N 3.26Å; Q283-M285 WeakPolarHBondContact CG-O 3.25Å; Q283-M285 PolarHBondContact NE2-O 3.27Å; Q283-M285 PolarHBondContact O-N 3.16Å
284P95.1Very high94.9Very high76 Ų7638.3 Ų38.349%0.49418%0.184SC..SBendtrans-61.5-31.9-174.2-27.435.9000114.5M237 L239 D282M237-P284 WeakPolarHBondContact O-CA 3.43Å; L239-P284 PolarHBondContact N-O 3.07Å; D282-P284 WeakPolarHBondContact O-CD 3.16Å
285M96.3Very high94.5Very high44 Ų4437.6 Ų37.622%0.21718%0.184CC..EExtended strand (participates in β ladder)trans-150140.5-178.5179.5177.9172.400110.5L200 L239 Q283 C287 Y293L200-M285 HydrophobicContact CD1-CE 3.43Å; L200-M285 VanDerWaalsContact CD1-CE 3.43Å; L200-M285 HydrophobicContact CD2-CE 3.68Å; L200-M285 HydrophobicContact CG-CE 4.18Å; L239-M285 HydrophobicContact CB-CB 4.28Å; L239-M285 HydrophobicContact CB-CG 4.27Å; L239-M285 HydrophobicContact CD2-CG 4.16Å; L239-M285 HydrophobicContact CD2-SD 4.21Å; L239-M285 HydrophobicContact CG-CG 4.38Å; L239-M285 CarbonylContact O-C 3.6Å; L239-M285 VanDerWaalsContact O-CA 3.29Å; L239-M285 WeakPolarHBondContact O-CA 3.38Å; Q283-M285 VanDerWaalsContact C-N 3.26Å; Q283-M285 WeakPolarHBondContact CG-O 3.25Å; Q283-M285 PolarHBondContact NE2-O 3.27Å; Q283-M285 PolarHBondContact O-N 3.16Å; M285-C287 WeakPolarHBondContact CE-SG 3.43Å; M285-Y293 HydrophobicContact CE-CE1 4.3Å; M285-Y293 HydrophobicContact CG-CE1 4.44Å; M285-Y293 PolarHBondContact O-OH 2.95Å; M285-Y293 HydrophobicContact SD-CE1 4.44Å
286V96.3Very high94.1Very high7 Ų739.7 Ų39.74%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-131.7113.3174.260.50000111.4L239 V240 C241 A278 Y293L239-V286 PolarHBondContact O-N 3.45Å; V240-V286 HydrophobicContact CB-CG1 4.18Å; V240-V286 HydrophobicContact CG1-CG1 4.01Å; V240-V286 HydrophobicContact CG2-CG1 4.02Å; C241-V286 PolarHBondContact N-O 3.34Å; A278-V286 HydrophobicContact CB-CB 3.66Å; A278-V286 HydrophobicContact CB-CG1 3.55Å; A278-V286 HydrophobicContact CB-CG2 4.19Å; V286-Y293 WeakPolarHBondContact CA-OH 3.47Å
287C96.1Very high93.8Very high1 Ų146 Ų461%0.00722%0.222CC..EExtended strand (participates in β ladder)trans-91.8130164.3-62.90000110.9C241 M285 P289 I292 Y293C241-C287 WeakPolarHBondContact O-CA 3.34Å; M285-C287 WeakPolarHBondContact CE-SG 3.43Å; C287-P289 CarbonylContact O-C 3.58Å; C287-I292 HydrophobicContact CB-CB 3.88Å; C287-I292 HydrophobicContact CB-CG2 3.82Å; C287-Y293 HydrophobicContact CB-CD1 4.3Å; C287-Y293 HydrophobicContact CB-CD2 3.77Å; C287-Y293 HydrophobicContact CB-CE1 4.12Å; C287-Y293 HydrophobicContact CB-CE2 3.56Å; C287-Y293 HydrophobicContact CB-CG 4.14Å; C287-Y293 PolarHBondContact N-OH 3.34Å; C287-Y293 VanDerWaalsContact N-OH 3.07Å
288T93.5Very high93.3Very high3 Ų344.7 Ų44.72%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-122.8124.5176.7-51.30000108.9C241 Y243 L266 F270 Q274C241-T288 PolarHBondContact O-N 3.37Å; Y243-T288 WeakPolarHBondContact CB-O 3.28Å; Y243-T288 PolarHBondContact N-O 3.11Å; L266-T288 HydrophobicContact CD1-CG2 3.58Å; L266-T288 WeakPolarHBondContact CD1-O 3.46Å; L266-T288 HydrophobicContact CD2-CG2 4.34Å; F270-T288 HydrophobicContact CD1-CG2 4.07Å; F270-T288 HydrophobicContact CE1-CG2 3.62Å; Q274-T288 HydrophobicContact CB-CG2 4.22Å; Q274-T288 HydrophobicContact CG-CG2 4Å
289P92.7Very high92.8Very high32 Ų3248 Ų4821%0.20824%0.235CC..SBendcis-71.5163.9-9.327.5-25.8000112.1L263 L266 C287 I291 I292L263-P289 HydrophobicContact CD1-CG 3.51Å; L266-P289 HydrophobicContact CD2-CG 4.42Å; C287-P289 CarbonylContact O-C 3.58Å; P289-I291 HydrophobicContact CB-CG2 4.45Å; P289-I291 HydrophobicContact CG-CG2 3.96Å; P289-I291 PolarHBondContact O-N 3.21Å; P289-I292 VanDerWaalsContact O-CB 3.31Å; P289-I292 WeakPolarHBondContact O-CB 3.2Å; P289-I292 VanDerWaalsContact O-CG1 3.28Å; P289-I292 WeakPolarHBondContact O-CG1 3.45Å; P289-I292 PolarHBondContact O-N 2.94Å
290R90.7Very high92.4Very high125 Ų12552.6 Ų52.647%0.47227%0.267SS..THydrogen-bonded Turntrans-61-22.1-173.4-65.7-177.676.697.5-6.1114.5I292 Y293R290-I292 PolarHBondContact O-N 2.76Å; R290-I292 VanDerWaalsContact O-N 3.1Å; R290-Y293 HydrophobicContact CB-CD2 4.36Å; R290-Y293 WeakPolarHBondContact O-CB 3.18Å; R290-Y293 VanDerWaalsContact O-CD2 3.3Å; R290-Y293 WeakPolarHBondContact O-CD2 3.33Å; R290-Y293 PolarHBondContact O-N 3.07Å
291I90.1Very high92.1Very high76 Ų7657.9 Ų57.939%0.3929%0.294SS..Hα-helixtrans-57.4-24.7175.4-163.367.6000112.5L263 P289 Y293 M294 V295L263-I291 HydrophobicContact CD1-CG2 3.77Å; P289-I291 HydrophobicContact CB-CG2 4.45Å; P289-I291 HydrophobicContact CG-CG2 3.96Å; P289-I291 PolarHBondContact O-N 3.21Å; I291-Y293 PolarHBondContact O-N 3.07Å; I291-M294 HydrophobicContact CD1-CE 3.45Å; I291-M294 VanDerWaalsContact CD1-CE 3.45Å; I291-M294 HydrophobicContact CD1-SD 4.25Å; I291-M294 HydrophobicContact CG1-CE 4.23Å; I291-M294 WeakPolarHBondContact O-CB 3.31Å; I291-M294 PolarHBondContact O-N 3.34Å; I291-V295 PolarHBondContact O-N 2.67Å; I291-V295 VanDerWaalsContact O-N 3.11Å
292I91.4Very high91.9Very high3 Ų359.9 Ų59.92%0.01530%0.304CS..Hα-helixtrans-61.9-28.7177.2-64.5-59.7000112.5L200 F201 Y243 C287 P289 R290 M294 V295 N296L200-I292 HydrophobicContact CD1-CG2 4.49Å; F201-I292 HydrophobicContact CE1-CD1 4.32Å; F201-I292 HydrophobicContact CE1-CG2 4.08Å; F201-I292 HydrophobicContact CZ-CD1 4.24Å; Y243-I292 HydrophobicContact CD2-CD1 4.15Å; Y243-I292 HydrophobicContact CG-CD1 4.32Å; C287-I292 HydrophobicContact CB-CB 3.88Å; C287-I292 HydrophobicContact CB-CG2 3.82Å; P289-I292 VanDerWaalsContact O-CB 3.31Å; P289-I292 WeakPolarHBondContact O-CB 3.2Å; P289-I292 VanDerWaalsContact O-CG1 3.28Å; P289-I292 WeakPolarHBondContact O-CG1 3.45Å; P289-I292 PolarHBondContact O-N 2.94Å; R290-I292 PolarHBondContact O-N 2.76Å; R290-I292 VanDerWaalsContact O-N 3.1Å; I292-M294 VanDerWaalsContact C-N 3.3Å; I292-M294 PolarHBondContact O-N 3.02Å; I292-V295 PolarHBondContact O-N 3.32Å; I292-N296 PolarHBondContact O-N 3.2Å
293Y91.6Very high91.7Very high72 Ų7261.4 Ų61.428%0.28232%0.317SS..Hα-helixtrans-59.9-42.9171.1-74.1-72.1000111.8M285 V286 C287 R290 I291 N296 F297M285-Y293 HydrophobicContact CE-CE1 4.3Å; M285-Y293 HydrophobicContact CG-CE1 4.44Å; M285-Y293 PolarHBondContact O-OH 2.95Å; M285-Y293 HydrophobicContact SD-CE1 4.44Å; V286-Y293 WeakPolarHBondContact CA-OH 3.47Å; C287-Y293 HydrophobicContact CB-CD1 4.3Å; C287-Y293 HydrophobicContact CB-CD2 3.77Å; C287-Y293 HydrophobicContact CB-CE1 4.12Å; C287-Y293 HydrophobicContact CB-CE2 3.56Å; C287-Y293 HydrophobicContact CB-CG 4.14Å; C287-Y293 PolarHBondContact N-OH 3.34Å; C287-Y293 VanDerWaalsContact N-OH 3.07Å; R290-Y293 HydrophobicContact CB-CD2 4.36Å; R290-Y293 WeakPolarHBondContact O-CB 3.18Å; R290-Y293 VanDerWaalsContact O-CD2 3.3Å; R290-Y293 WeakPolarHBondContact O-CD2 3.33Å; R290-Y293 PolarHBondContact O-N 3.07Å; I291-Y293 PolarHBondContact O-N 3.07Å; Y293-N296 PolarHBondContact O-N 3.4Å; Y293-F297 WeakPolarHBondContact O-CB 3.47Å; Y293-F297 PolarHBondContact O-N 2.99Å
294M90.1Very high91.5Very high96 Ų9666.2 Ų66.247%0.47334%0.337SS..Hα-helixtrans-67.9-40.3178.4-169.5177.978.300110.9I291 I292 N296 F297 M298I291-M294 HydrophobicContact CD1-CE 3.45Å; I291-M294 VanDerWaalsContact CD1-CE 3.45Å; I291-M294 HydrophobicContact CD1-SD 4.25Å; I291-M294 HydrophobicContact CG1-CE 4.23Å; I291-M294 WeakPolarHBondContact O-CB 3.31Å; I291-M294 PolarHBondContact O-N 3.34Å; I292-M294 VanDerWaalsContact C-N 3.3Å; I292-M294 PolarHBondContact O-N 3.02Å; M294-N296 PolarHBondContact O-N 3.1Å; M294-F297 PolarHBondContact O-N 3.11Å; M294-M298 HydrophobicContact CE-CE 4.08Å; M294-M298 HydrophobicContact CG-CE 4.26Å; M294-M298 HydrophobicContact CG-CG 4.45Å; M294-M298 HydrophobicContact CG-SD 4.41Å; M294-M298 WeakPolarHBondContact O-CB 3.37Å; M294-M298 VanDerWaalsContact O-CG 3.28Å; M294-M298 WeakPolarHBondContact O-CG 3.4Å; M294-M298 PolarHBondContact O-N 3.3Å
295V87.6Confident91.5Very high43 Ų4369 Ų6926%0.26134%0.343SS..Hα-helixtrans-60.2-46175.6176.70000111.3F201 I291 I292 F297 M298 K299F201-V295 HydrophobicContact CD1-CG1 4.15Å; F201-V295 HydrophobicContact CE1-CG1 4.1Å; I291-V295 PolarHBondContact O-N 2.67Å; I291-V295 VanDerWaalsContact O-N 3.11Å; I292-V295 PolarHBondContact O-N 3.32Å; V295-F297 PolarHBondContact O-N 3.42Å; V295-M298 HydrophobicContact CG2-CE 4.2Å; V295-M298 PolarHBondContact O-N 2.89Å; V295-K299 PolarHBondContact O-N 2.86Å
296N90.2Very high91.3Very high43 Ų4368.4 Ų68.423%0.2335%0.346CS..Hα-helixtrans-61.5-44.4176.4-172.649.2000111.8L200 I292 Y293 M294 K299 S300L200-N296 HydrophobicContact CB-CB 4.46Å; L200-N296 PolarHBondContact O-OD1 2.85Å; I292-N296 PolarHBondContact O-N 3.2Å; Y293-N296 PolarHBondContact O-N 3.4Å; M294-N296 PolarHBondContact O-N 3.1Å; N296-K299 WeakPolarHBondContact O-CB 3.39Å; N296-K299 PolarHBondContact O-N 3.2Å; N296-S300 PolarHBondContact O-N 3.33Å; N296-S300 PolarHBondContact O-OG 2.95Å
297F90.7Very high90.9Very high133 Ų13369.3 Ų69.358%0.58335%0.35SS*.Hα-helixtrans-60.8-45.4176.1174.7-103.3000112.6Y293 M294 V295 K299 S300 I301Y293-F297 WeakPolarHBondContact O-CB 3.47Å; Y293-F297 PolarHBondContact O-N 2.99Å; M294-F297 PolarHBondContact O-N 3.11Å; V295-F297 PolarHBondContact O-N 3.42Å; F297-K299 VanDerWaalsContact C-N 3.34Å; F297-K299 PolarHBondContact O-N 3.04Å; F297-S300 WeakPolarHBondContact O-CB 3.46Å; F297-S300 PolarHBondContact O-N 3.13Å; F297-S300 VanDerWaalsContact O-N 3.15Å; F297-I301 HydrophobicContact CD1-CD1 4.2Å; F297-I301 HydrophobicContact CD2-CD1 4.24Å; F297-I301 HydrophobicContact CE1-CD1 3.55Å; F297-I301 HydrophobicContact CE2-CD1 3.6Å; F297-I301 HydrophobicContact CZ-CD1 3.22Å
298M87.3Confident90.7Very high58 Ų5870.6 Ų70.629%0.28636%0.358SS..Hα-helixtrans-62.1-40.3178.6-73.3-174.1-59.900112.1M294 V295 S300 I301 L302M294-M298 HydrophobicContact CE-CE 4.08Å; M294-M298 HydrophobicContact CG-CE 4.26Å; M294-M298 HydrophobicContact CG-CG 4.45Å; M294-M298 HydrophobicContact CG-SD 4.41Å; M294-M298 WeakPolarHBondContact O-CB 3.37Å; M294-M298 VanDerWaalsContact O-CG 3.28Å; M294-M298 WeakPolarHBondContact O-CG 3.4Å; M294-M298 PolarHBondContact O-N 3.3Å; V295-M298 HydrophobicContact CG2-CE 4.2Å; V295-M298 PolarHBondContact O-N 2.89Å; M298-S300 PolarHBondContact O-N 3.13Å; M298-I301 PolarHBondContact O-N 2.96Å; M298-I301 VanDerWaalsContact O-N 3.16Å; M298-L302 HydrophobicContact CB-CD1 4.03Å; M298-L302 WeakPolarHBondContact O-CB 3.46Å; M298-L302 VanDerWaalsContact O-CG 3.32Å; M298-L302 WeakPolarHBondContact O-CG 3.48Å; M298-L302 PolarHBondContact O-N 2.97Å
299K86.6Confident90.5Very high71 Ų7174.4 Ų74.431%0.30938%0.384SS..Hα-helixtrans-55.6-36.3175.2-177.1-150178-168.60111.9L200 F201 V295 N296 F297 I301 I307L200-K299 PolarHBondContact O-NZ 2.97Å; F201-K299 HydrophobicContact CB-CD 3.99Å; V295-K299 PolarHBondContact O-N 2.86Å; N296-K299 WeakPolarHBondContact O-CB 3.39Å; N296-K299 PolarHBondContact O-N 3.2Å; F297-K299 VanDerWaalsContact C-N 3.34Å; F297-K299 PolarHBondContact O-N 3.04Å; K299-I301 VanDerWaalsContact C-N 3.3Å; K299-I301 PolarHBondContact O-N 3.17Å; K299-I307 HydrophobicContact CG-CD1 4.07Å
300S89.4Confident90.2Very high96 Ų9675.6 Ų75.667%0.67139%0.387SS*.Hα-helixtrans-74.2-16.4-177.7-58.80000114.5N296 F297 M298N296-S300 PolarHBondContact O-N 3.33Å; N296-S300 PolarHBondContact O-OG 2.95Å; F297-S300 WeakPolarHBondContact O-CB 3.46Å; F297-S300 PolarHBondContact O-N 3.13Å; F297-S300 VanDerWaalsContact O-N 3.15Å; M298-S300 PolarHBondContact O-N 3.13Å
301I92.3Very high90.1Very high113 Ų11371.6 Ų71.658%0.57937%0.373SS*.Hα-helixtrans-112.4-32.1-174.5-60.6170.6000111.5F297 M298 K299F297-I301 HydrophobicContact CD1-CD1 4.2Å; F297-I301 HydrophobicContact CD2-CD1 4.24Å; F297-I301 HydrophobicContact CE1-CD1 3.55Å; F297-I301 HydrophobicContact CE2-CD1 3.6Å; F297-I301 HydrophobicContact CZ-CD1 3.22Å; M298-I301 PolarHBondContact O-N 2.96Å; M298-I301 VanDerWaalsContact O-N 3.16Å; K299-I301 VanDerWaalsContact C-N 3.3Å; K299-I301 PolarHBondContact O-N 3.17Å
302L90Very high90Very high61 Ų6176 Ų7632%0.31938%0.384SS..SBendtrans-78.4140.5-174.9-68.8172.4000111.9M298 A306 I307 M310M298-L302 HydrophobicContact CB-CD1 4.03Å; M298-L302 WeakPolarHBondContact O-CB 3.46Å; M298-L302 VanDerWaalsContact O-CG 3.32Å; M298-L302 WeakPolarHBondContact O-CG 3.48Å; M298-L302 PolarHBondContact O-N 2.97Å; L302-A306 HydrophobicContact CB-CB 4.3Å; L302-A306 HydrophobicContact CD2-CB 4.45Å; L302-I307 HydrophobicContact CB-CG1 4Å; L302-M310 HydrophobicContact CD1-CE 3.26Å; L302-M310 HydrophobicContact CD1-SD 3.75Å
303P93.8Very high89.8Confident87 Ų8782 Ų8257%0.56541%0.41SS*.  trans-65154171.728.5-34.1000110.7E305 A306 I307P303-E305 VanDerWaalsContact C-N 3.3Å; P303-E305 PolarHBondContact O-N 3.28Å; P303-A306 HydrophobicContact CG-CB 3.9Å; P303-A306 WeakPolarHBondContact O-CB 3.28Å; P303-A306 PolarHBondContact O-N 2.94Å; P303-I307 PolarHBondContact O-N 2.96Å
304F90.8Very high89.5Confident150 Ų15082 Ų8266%0.65842%0.415SS*.Hα-helixtrans-52.6-44.4-174.8-179-104.5000113.4A306 I307 V308F304-A306 VanDerWaalsContact C-N 3.28Å; F304-A306 PolarHBondContact O-N 3.48Å; F304-I307 WeakPolarHBondContact O-CA 3.43Å; F304-I307 WeakPolarHBondContact O-CB 3.31Å; F304-I307 PolarHBondContact O-N 3.28Å; F304-V308 HydrophobicContact CD1-CG2 3.99Å; F304-V308 HydrophobicContact CE1-CG2 3.57Å; F304-V308 HydrophobicContact CE2-CG2 4.25Å; F304-V308 HydrophobicContact CZ-CG2 3.71Å; F304-V308 WeakPolarHBondContact O-CG2 3.35Å; F304-V308 PolarHBondContact O-N 3.03Å
305E93.2Very high89.2Confident134 Ų13478.3 Ų78.363%0.62640%0.401SS*.Hα-helixtrans-61.5-34.7178.7-65.8-55.1140.100113.2P303 V308 C309P303-E305 VanDerWaalsContact C-N 3.3Å; P303-E305 PolarHBondContact O-N 3.28Å; E305-V308 PolarHBondContact O-N 3.01Å; E305-C309 WeakPolarHBondContact O-CB 3.43Å; E305-C309 PolarHBondContact O-N 3.16Å
306A92.1Very high89.1Confident33 Ų3377.3 Ų77.327%0.27340%0.398SS..Hα-helixtrans-68.4-38.9174.400000111L302 P303 F304 C309 M310L302-A306 HydrophobicContact CB-CB 4.3Å; L302-A306 HydrophobicContact CD2-CB 4.45Å; P303-A306 HydrophobicContact CG-CB 3.9Å; P303-A306 WeakPolarHBondContact O-CB 3.28Å; P303-A306 PolarHBondContact O-N 2.94Å; F304-A306 VanDerWaalsContact C-N 3.28Å; F304-A306 PolarHBondContact O-N 3.48Å; A306-C309 WeakPolarHBondContact O-CB 3.47Å; A306-C309 PolarHBondContact O-N 2.9Å; A306-M310 WeakPolarHBondContact O-CG 3.39Å; A306-M310 PolarHBondContact O-N 3.14Å
307I89.8Confident88.8Confident25 Ų2577.2 Ų77.213%0.12840%0.397CS..Hα-helixtrans-62-46.2174-60.5172.4000110.3K299 L302 P303 F304 C309 M310 Y311K299-I307 HydrophobicContact CG-CD1 4.07Å; L302-I307 HydrophobicContact CB-CG1 4Å; P303-I307 PolarHBondContact O-N 2.96Å; F304-I307 WeakPolarHBondContact O-CA 3.43Å; F304-I307 WeakPolarHBondContact O-CB 3.31Å; F304-I307 PolarHBondContact O-N 3.28Å; I307-C309 VanDerWaalsContact C-N 3.32Å; I307-C309 PolarHBondContact O-N 3.23Å; I307-M310 HydrophobicContact CB-CE 4.46Å; I307-M310 HydrophobicContact CG1-CE 4.22Å; I307-M310 PolarHBondContact O-N 3.02Å; I307-Y311 HydrophobicContact CG2-CD1 3.74Å; I307-Y311 HydrophobicContact CG2-CE1 3.55Å; I307-Y311 WeakPolarHBondContact O-CD1 3.33Å; I307-Y311 PolarHBondContact O-N 3.24Å
308V90Very high88.7Confident28 Ų2876.8 Ų76.817%0.1740%0.395CS..Hα-helixtrans-58.5-44.2176.3173.10000111.2F304 E305 Y311 R312F304-V308 HydrophobicContact CD1-CG2 3.99Å; F304-V308 HydrophobicContact CE1-CG2 3.57Å; F304-V308 HydrophobicContact CE2-CG2 4.25Å; F304-V308 HydrophobicContact CZ-CG2 3.71Å; F304-V308 WeakPolarHBondContact O-CG2 3.35Å; F304-V308 PolarHBondContact O-N 3.03Å; E305-V308 PolarHBondContact O-N 3.01Å; V308-Y311 PolarHBondContact O-N 3.44Å; V308-R312 WeakPolarHBondContact O-CG 3.13Å; V308-R312 PolarHBondContact O-N 2.97Å
309C90.1Very high88.6Confident83 Ų8374.6 Ų74.656%0.56139%0.385SS*.Hα-helixtrans-58.9-47.5176-174.60000111.7E305 A306 I307 Y311 R312 F313E305-C309 WeakPolarHBondContact O-CB 3.43Å; E305-C309 PolarHBondContact O-N 3.16Å; A306-C309 WeakPolarHBondContact O-CB 3.47Å; A306-C309 PolarHBondContact O-N 2.9Å; I307-C309 VanDerWaalsContact C-N 3.32Å; I307-C309 PolarHBondContact O-N 3.23Å; C309-Y311 PolarHBondContact O-N 3.15Å; C309-R312 PolarHBondContact O-N 3.22Å; C309-F313 WeakPolarHBondContact O-CB 3.22Å; C309-F313 PolarHBondContact O-N 3.32Å
310M87.3Confident88.8Confident58 Ų5871.4 Ų71.429%0.28637%0.371SS..Hα-helixtrans-60.6-43.9175.4-69.8-169.1-58.500111.7L302 A306 I307 R312 F313 L314L302-M310 HydrophobicContact CD1-CE 3.26Å; L302-M310 HydrophobicContact CD1-SD 3.75Å; A306-M310 WeakPolarHBondContact O-CG 3.39Å; A306-M310 PolarHBondContact O-N 3.14Å; I307-M310 HydrophobicContact CB-CE 4.46Å; I307-M310 HydrophobicContact CG1-CE 4.22Å; I307-M310 PolarHBondContact O-N 3.02Å; M310-R312 PolarHBondContact O-N 3Å; M310-F313 PolarHBondContact O-N 3.26Å; M310-L314 WeakPolarHBondContact O-CB 3.49Å; M310-L314 WeakPolarHBondContact O-CG 3.33Å; M310-L314 PolarHBondContact O-N 3.04Å
311Y88.2Confident88.7Confident41 Ų4171.8 Ų71.816%0.16136%0.359CS..Hα-helixtrans-61.6-44.6-178.7-8950.7000111.8F201 S202 I307 V308 C309 L314 G315 A316 D317F201-Y311 WeakPolarHBondContact CD2-OH 3.44Å; S202-Y311 WeakPolarHBondContact O-CE2 3.35Å; S202-Y311 PolarHBondContact O-OH 2.81Å; I307-Y311 HydrophobicContact CG2-CD1 3.74Å; I307-Y311 HydrophobicContact CG2-CE1 3.55Å; I307-Y311 WeakPolarHBondContact O-CD1 3.33Å; I307-Y311 PolarHBondContact O-N 3.24Å; V308-Y311 PolarHBondContact O-N 3.44Å; C309-Y311 PolarHBondContact O-N 3.15Å; Y311-L314 PolarHBondContact O-N 2.94Å; Y311-G315 CarbonylContact O-C 3.58Å; Y311-G315 PolarHBondContact O-N 2.86Å; Y311-A316 HydrophobicContact CD2-CB 4Å; Y311-A316 HydrophobicContact CE2-CB 4.45Å; Y311-A316 HydrophobicContact CG-CB 4.21Å; Y311-A316 PolarHBondContact O-N 2.95Å; Y311-D317 PolarHBondContact O-N 3.04Å
312R88.3Confident88.4Confident169 Ų16968.4 Ų68.464%0.63834%0.344SS*.Hα-helixtrans-63.5-43.2174.8-70.8175.7179.1160.62.8111.9V308 C309 M310 L314 G315V308-R312 WeakPolarHBondContact O-CG 3.13Å; V308-R312 PolarHBondContact O-N 2.97Å; C309-R312 PolarHBondContact O-N 3.22Å; M310-R312 PolarHBondContact O-N 3Å; R312-L314 VanDerWaalsContact C-N 3.32Å; R312-L314 PolarHBondContact O-N 3.35Å; R312-G315 PolarHBondContact O-N 3.43Å
313F86.8Confident88.2Confident128 Ų12865.7 Ų65.756%0.56133%0.33SS*.Hα-helixtrans-62.5-40.5177176.5-98.6000112.1R256 C309 M310 G315R256-F313 WeakPolarHBondContact CD-O 3.27Å; R256-F313 PolarHBondContact NH1-O 3.29Å; C309-F313 WeakPolarHBondContact O-CB 3.22Å; C309-F313 PolarHBondContact O-N 3.32Å; M310-F313 PolarHBondContact O-N 3.26Å; F313-G315 VanDerWaalsContact C-N 3.28Å; F313-G315 PolarHBondContact O-N 3.13Å
314L84.6Confident87.8Confident72 Ų7262 Ų6238%0.37731%0.305SS..Hα-helixtrans-78.6-11.6179.7-62.4175000113.4R256 I259 M310 Y311 R312 A316R256-L314 WeakPolarHBondContact CB-O 3.15Å; R256-L314 PolarHBondContact N-O 3.15Å; I259-L314 VanDerWaalsContact CD1-CA 3.48Å; I259-L314 HydrophobicContact CD1-CB 4.07Å; I259-L314 HydrophobicContact CD1-CD2 3.36Å; I259-L314 HydrophobicContact CD1-CG 4.28Å; M310-L314 WeakPolarHBondContact O-CB 3.49Å; M310-L314 WeakPolarHBondContact O-CG 3.33Å; M310-L314 PolarHBondContact O-N 3.04Å; Y311-L314 PolarHBondContact O-N 2.94Å; R312-L314 VanDerWaalsContact C-N 3.32Å; R312-L314 PolarHBondContact O-N 3.35Å; L314-A316 HydrophobicContact CB-CB 4.3Å; L314-A316 PolarHBondContact O-N 3.29Å
315G83.8Confident87.5Confident18 Ų1857.1 Ų57.119%0.18629%0.293CS..THydrogen-bonded Turntrans66.118.2-169.200000113.4Y311 R312 F313 D317 C319Y311-G315 CarbonylContact O-C 3.58Å; Y311-G315 PolarHBondContact O-N 2.86Å; R312-G315 PolarHBondContact O-N 3.43Å; F313-G315 VanDerWaalsContact C-N 3.28Å; F313-G315 PolarHBondContact O-N 3.13Å; G315-D317 VanDerWaalsContact C-N 3.33Å; G315-C319 PolarHBondContact O-N 3.08Å
316A85.6Confident87Confident22 Ų2254.6 Ų54.618%0.18228%0.281CS..  trans-74.4-25.818000000111.9T203 Y311 L314 K318 C319T203-A316 PolarHBondContact OG1-O 2.79Å; Y311-A316 HydrophobicContact CD2-CB 4Å; Y311-A316 HydrophobicContact CE2-CB 4.45Å; Y311-A316 HydrophobicContact CG-CB 4.21Å; Y311-A316 PolarHBondContact O-N 2.95Å; L314-A316 HydrophobicContact CB-CB 4.3Å; L314-A316 PolarHBondContact O-N 3.29Å; A316-K318 VanDerWaalsContact C-N 3.25Å; A316-K318 PolarHBondContact O-N 3.4Å; A316-C319 PolarHBondContact O-SG 3.09Å
317D85.3Confident86.5Confident42 Ų4258.7 Ų58.723%0.22529%0.289CS..THydrogen-bonded Turntrans-63.2-27.317964.8-41.6000113.7Y311 G315Y311-D317 PolarHBondContact O-N 3.04Å; G315-D317 VanDerWaalsContact C-N 3.33Å
318K86.9Confident86.1Confident124 Ų12461.8 Ų61.854%0.53930%0.302SS..THydrogen-bonded Turntrans-123.312.8-177.8-65177.4-172.71790113.6A316 M320 Y321A316-K318 VanDerWaalsContact C-N 3.25Å; A316-K318 PolarHBondContact O-N 3.4Å; K318-M320 PolarHBondContact O-N 3.39Å; K318-M320 VanDerWaalsContact O-N 3.12Å; K318-Y321 HydrophobicContact CB-CD1 4.36Å; K318-Y321 HydrophobicContact CB-CG 4.29Å; K318-Y321 HydrophobicContact CG-CD2 4.46Å; K318-Y321 HydrophobicContact CG-CE2 4.35Å; K318-Y321 WeakPolarHBondContact O-CB 3.19Å; K318-Y321 PolarHBondContact O-N 2.94Å; K318-Y321 VanDerWaalsContact O-N 3.09Å
319C86.1Confident85.6Confident11 Ų1166.2 Ų66.27%0.07432%0.321CS..THydrogen-bonded Turntrans-63-26.2-171.565.80000113.7C253 R254 I255 G315 A316C253-C319 CarbonylContact C-O 3.57Å; C253-C319 WeakPolarHBondContact CA-O 3.45Å; C253-C319 PolarHBondContact SG-O 3.43Å; C253-C319 VanDerWaalsContact SG-O 3.39Å; R254-C319 PolarHBondContact N-O 3.1Å; R254-C319 WeakPolarHBondContact O-CA 3.26Å; R254-C319 VanDerWaalsContact O-CB 3.26Å; R254-C319 WeakPolarHBondContact O-CB 3.49Å; I255-C319 HydrophobicContact CG2-CB 4.36Å; G315-C319 PolarHBondContact O-N 3.08Å; A316-C319 PolarHBondContact O-SG 3.09Å
320M89.8Confident85Confident4 Ų464.5 Ų64.52%0.0231%0.312CS..THydrogen-bonded Turntrans-84.5-16.1179.7-65.8-53.8-5900114.2T203 A204 V206 F250 C253 K318 F323 L324T203-M320 HydrophobicContact CG2-CG 4.16Å; A204-M320 WeakPolarHBondContact O-CB 3.43Å; V206-M320 HydrophobicContact CG1-CE 3.26Å; V206-M320 HydrophobicContact CG1-CG 3.75Å; V206-M320 HydrophobicContact CG1-SD 3.86Å; V206-M320 HydrophobicContact CG2-CG 4.14Å; F250-M320 HydrophobicContact CD1-CE 3.61Å; F250-M320 HydrophobicContact CD1-SD 4.25Å; F250-M320 HydrophobicContact CE1-CE 3.97Å; C253-M320 HydrophobicContact CB-SD 4.1Å; C253-M320 VanDerWaalsContact SG-SD 3.7Å; K318-M320 PolarHBondContact O-N 3.39Å; K318-M320 VanDerWaalsContact O-N 3.12Å; M320-F323 HydrophobicContact CE-CB 4.23Å; M320-F323 HydrophobicContact CE-CD1 3.3Å; M320-F323 HydrophobicContact CE-CE1 3.73Å; M320-F323 HydrophobicContact CE-CG 3.89Å; M320-F323 WeakPolarHBondContact O-CB 3.42Å; M320-F323 PolarHBondContact O-N 3Å; M320-F323 VanDerWaalsContact O-N 3.08Å; M320-L324 WeakPolarHBondContact O-CG 3.48Å; M320-L324 PolarHBondContact O-N 3.12Å
321Y88.5Confident84.4Confident105 Ų10565 Ų6541%0.41232%0.315SS..Hα-helixtrans-61-42.5-172.2-78.333.6000113.1H152 K318 F323 L324 A325H152-Y321 AromaticContact CE1-CE1 3.99Å; K318-Y321 HydrophobicContact CB-CD1 4.36Å; K318-Y321 HydrophobicContact CB-CG 4.29Å; K318-Y321 HydrophobicContact CG-CD2 4.46Å; K318-Y321 HydrophobicContact CG-CE2 4.35Å; K318-Y321 WeakPolarHBondContact O-CB 3.19Å; K318-Y321 PolarHBondContact O-N 2.94Å; K318-Y321 VanDerWaalsContact O-N 3.09Å; Y321-F323 VanDerWaalsContact C-N 3.29Å; Y321-F323 PolarHBondContact O-N 3.06Å; Y321-L324 PolarHBondContact O-N 3.43Å; Y321-A325 WeakPolarHBondContact O-CB 3.37Å; Y321-A325 PolarHBondContact O-N 3.32Å
322P86.1Confident83.8Confident42 Ų4267.1 Ų67.127%0.27333%0.329SS..Hα-helixtrans-69-27.9177.9-13.427.9000112.9G252 R254 Q326G252-P322 WeakPolarHBondContact O-CB 3.36Å; R254-P322 HydrophobicContact CB-CG 4.33Å; R254-P322 HydrophobicContact CG-CG 4.37Å; P322-Q326 VanDerWaalsContact O-CG 3.31Å; P322-Q326 WeakPolarHBondContact O-CG 3.16Å; P322-Q326 PolarHBondContact O-N 3.25Å; P322-Q326 VanDerWaalsContact O-N 3.13Å
323F85.4Confident83Confident4 Ų463.7 Ų63.72%0.01832%0.323CS..Hα-helixtrans-65.9-45.8172.1161.7-100000111.3V148 M249 K251 G252 M320 Y321 Q326 R327V148-F323 HydrophobicContact CG1-CZ 4.29Å; M249-F323 WeakPolarHBondContact O-CE2 3.36Å; K251-F323 WeakPolarHBondContact O-CD2 3.24Å; G252-F323 PolarHBondContact O-N 2.99Å; M320-F323 HydrophobicContact CE-CB 4.23Å; M320-F323 HydrophobicContact CE-CD1 3.3Å; M320-F323 HydrophobicContact CE-CE1 3.73Å; M320-F323 HydrophobicContact CE-CG 3.89Å; M320-F323 WeakPolarHBondContact O-CB 3.42Å; M320-F323 PolarHBondContact O-N 3Å; M320-F323 VanDerWaalsContact O-N 3.08Å; Y321-F323 VanDerWaalsContact C-N 3.29Å; Y321-F323 PolarHBondContact O-N 3.06Å; F323-Q326 PolarHBondContact O-N 3.41Å; F323-R327 HydrophobicContact CE2-CG 4.34Å; F323-R327 HydrophobicContact CZ-CG 4.42Å; F323-R327 PolarHBondContact O-N 2.84Å; F323-R327 VanDerWaalsContact O-N 3.15Å
324L84.9Confident82.1Confident8 Ų862 Ų624%0.04232%0.321CS..Hα-helixtrans-64.3-41.3177.8-61.9174.8000111.6G150 H152 M320 Y321 R327 K328G150-L324 WeakPolarHBondContact O-CD2 3.4Å; H152-L324 WeakPolarHBondContact CE1-CD1 3.42Å; H152-L324 WeakPolarHBondContact NE2-CD1 3.31Å; M320-L324 WeakPolarHBondContact O-CG 3.48Å; M320-L324 PolarHBondContact O-N 3.12Å; Y321-L324 PolarHBondContact O-N 3.43Å; L324-R327 PolarHBondContact O-N 3.49Å; L324-K328 PolarHBondContact O-N 3.37Å
325A84.4Confident81.4Confident48 Ų4864.2 Ų64.240%0.39733%0.329SS..Hα-helixtrans-60.9-47.1176.400000112.4Y321 R327 K328 E329Y321-A325 WeakPolarHBondContact O-CB 3.37Å; Y321-A325 PolarHBondContact O-N 3.32Å; A325-R327 VanDerWaalsContact C-N 3.28Å; A325-R327 PolarHBondContact O-N 2.86Å; A325-K328 PolarHBondContact O-N 2.99Å; A325-E329 WeakPolarHBondContact O-CG 3.2Å; A325-E329 PolarHBondContact O-N 3.43Å
326Q83.6Confident80.2Confident82 Ų8267.3 Ų67.338%0.38335%0.352SS..Hα-helixtrans-61.3-36.6177.5-74.8177.37.700112.6P322 F323 A330P322-Q326 VanDerWaalsContact O-CG 3.31Å; P322-Q326 WeakPolarHBondContact O-CG 3.16Å; P322-Q326 PolarHBondContact O-N 3.25Å; P322-Q326 VanDerWaalsContact O-N 3.13Å; F323-Q326 PolarHBondContact O-N 3.41Å; Q326-A330 WeakPolarHBondContact O-CB 3.43Å; Q326-A330 PolarHBondContact O-N 3.46Å
327R80.4Confident79.1Confident119 Ų11974.1 Ų74.145%0.44938%0.378SS..Hα-helixtrans-66.9-43.7175.9-78.2-75.4-177.4151.40.7111.9F323 L324 A325 A330 M331F323-R327 HydrophobicContact CE2-CG 4.34Å; F323-R327 HydrophobicContact CZ-CG 4.42Å; F323-R327 PolarHBondContact O-N 2.84Å; F323-R327 VanDerWaalsContact O-N 3.15Å; L324-R327 PolarHBondContact O-N 3.49Å; A325-R327 VanDerWaalsContact C-N 3.28Å; A325-R327 PolarHBondContact O-N 2.86Å; R327-A330 PolarHBondContact O-N 3.26Å; R327-M331 PolarHBondContact O-N 2.84Å
328K82.5Confident77.9Confident90 Ų9078.3 Ų78.339%0.39140%0.4SS..Hα-helixtrans-60.2-46.1175.9-165.9166.8-169.9154.10111.6E155 L324 A325 A330 M331 N332E155-K328 VanDerWaalsContact CD-NZ 3.29Å; E155-K328 IonicContact OE1-NZ 2.7Å; E155-K328 PolarHBondContact OE1-NZ 3.37Å; E155-K328 IonicContact OE2-NZ 2.75Å; E155-K328 PolarHBondContact OE2-NZ 3.44Å; L324-K328 PolarHBondContact O-N 3.37Å; A325-K328 PolarHBondContact O-N 2.99Å; K328-A330 PolarHBondContact O-N 3.23Å; K328-M331 PolarHBondContact O-N 2.95Å; K328-N332 VanDerWaalsContact O-CG 3.25Å; K328-N332 PolarHBondContact O-N 3.44Å; K328-N332 PolarHBondContact O-OD1 3.34Å
329E79.8Confident76.1Confident120 Ų12075.6 Ų75.656%0.56141%0.408SS*.Hα-helixtrans-60.2-42.4174.8-72.2174.5-175.400112.5A325 N333A325-E329 WeakPolarHBondContact O-CG 3.2Å; A325-E329 PolarHBondContact O-N 3.43Å; E329-N333 WeakPolarHBondContact O-CB 3.24Å; E329-N333 PolarHBondContact O-N 3.25Å; E329-N333 PolarHBondContact O-ND2 3.01Å; E329-N333 VanDerWaalsContact O-ND2 3.15Å
330A76.8Confident74.2Confident47 Ų4785.5 Ų85.539%0.38846%0.458SS..Hα-helixtrans-65.1-38178.500000112.8Q326 R327 K328 N334Q326-A330 WeakPolarHBondContact O-CB 3.43Å; Q326-A330 PolarHBondContact O-N 3.46Å; R327-A330 PolarHBondContact O-N 3.26Å; K328-A330 PolarHBondContact O-N 3.23Å; A330-N334 PolarHBondContact O-N 3.5Å; A330-N334 VanDerWaalsContact O-N 3.14Å
331M75.3Confident73.4Confident68 Ų6889.6 Ų89.634%0.33548%0.479SS..Hα-helixtrans-66.9-49.8175.1-76.6-171.2-75.700111.7H151 R327 K328 N333 N334 E335H151-M331 WeakPolarHBondContact CE1-CE 3.13Å; R327-M331 PolarHBondContact O-N 2.84Å; K328-M331 PolarHBondContact O-N 2.95Å; M331-N333 PolarHBondContact O-N 3.49Å; M331-N334 PolarHBondContact O-N 3.22Å; M331-E335 PolarHBondContact O-N 2.95Å
332N76Confident72.7Confident86 Ų8688.7 Ų88.746%0.4648%0.483SS..Hα-helixtrans-56.7-40177.9-66.83.2000111.6K328 N334 E335 A336K328-N332 VanDerWaalsContact O-CG 3.25Å; K328-N332 PolarHBondContact O-N 3.44Å; K328-N332 PolarHBondContact O-OD1 3.34Å; N332-N334 VanDerWaalsContact C-N 3.34Å; N332-E335 PolarHBondContact O-N 3.15Å; N332-A336 VanDerWaalsContact O-CB 3.31Å; N332-A336 WeakPolarHBondContact O-CB 3.46Å; N332-A336 PolarHBondContact O-N 2.93Å
333N69.8Low71.9Confident97 Ų9791.3 Ų91.352%0.51950%0.495SS..Hα-helixtrans-68.1-31.7177.1-74.1-26000113.1E329 M331 K337E329-N333 WeakPolarHBondContact O-CB 3.24Å; E329-N333 PolarHBondContact O-N 3.25Å; E329-N333 PolarHBondContact O-ND2 3.01Å; E329-N333 VanDerWaalsContact O-ND2 3.15Å; M331-N333 PolarHBondContact O-N 3.49Å; N333-K337 WeakPolarHBondContact O-CB 3.3Å; N333-K337 VanDerWaalsContact O-CG 3.24Å; N333-K337 WeakPolarHBondContact O-CG 2.89Å; N333-K337 PolarHBondContact O-N 2.87Å; N333-K337 VanDerWaalsContact O-N 3.16Å
334N68.4Low71.1Confident94 Ų9496.5 Ų96.550%0.50352%0.523SS..Hα-helixtrans-76.1-39175.7-78.9-14.5000111.6A330 M331 N332 K337 N338A330-N334 PolarHBondContact O-N 3.5Å; A330-N334 VanDerWaalsContact O-N 3.14Å; M331-N334 PolarHBondContact O-N 3.22Å; N332-N334 VanDerWaalsContact C-N 3.34Å; N334-K337 PolarHBondContact O-N 3.48Å; N334-N338 WeakPolarHBondContact O-CB 3.27Å; N334-N338 VanDerWaalsContact O-CG 3.25Å; N334-N338 PolarHBondContact O-N 3.46Å; N334-N338 PolarHBondContact O-ND2 2.81Å
335E69.1Low70.3Confident118 Ų118102 Ų10255%0.55155%0.553SS**Hα-helixtrans-60.8-47.2172.4-70.5176.3170.900110.8M331 N332 K337 N338 G339M331-E335 PolarHBondContact O-N 2.95Å; N332-E335 PolarHBondContact O-N 3.15Å; E335-K337 VanDerWaalsContact C-N 3.27Å; E335-K337 PolarHBondContact O-N 3.28Å; E335-N338 PolarHBondContact O-N 2.85Å; E335-N338 VanDerWaalsContact O-N 3.13Å; E335-G339 PolarHBondContact O-N 3.31Å; E335-G339 VanDerWaalsContact O-N 3.13Å
336A59.5Low69.3Low82 Ų82105.6 Ų105.668%0.67856%0.563SS**Hα-helixtrans-61.6-32.117600000113.5N332N332-A336 VanDerWaalsContact O-CB 3.31Å; N332-A336 WeakPolarHBondContact O-CB 3.46Å; N332-A336 PolarHBondContact O-N 2.93Å
337K62.9Low68.3Low166 Ų166107.3 Ų107.372%0.72258%0.576SS**Hα-helixtrans-78.9-27.6175.9-78.7175.8-178.8-179.40113.5N333 N334 E335N333-K337 WeakPolarHBondContact O-CB 3.3Å; N333-K337 VanDerWaalsContact O-CG 3.24Å; N333-K337 WeakPolarHBondContact O-CG 2.89Å; N333-K337 PolarHBondContact O-N 2.87Å; N333-K337 VanDerWaalsContact O-N 3.16Å; N334-K337 PolarHBondContact O-N 3.48Å; E335-K337 VanDerWaalsContact C-N 3.27Å; E335-K337 PolarHBondContact O-N 3.28Å
338N60.7Low67.4Low129 Ų129106.4 Ų106.469%0.6959%0.586SS**Hα-helixtrans-93-0.7-177.9-69.3-16.6000113.3N334 E335N334-N338 WeakPolarHBondContact O-CB 3.27Å; N334-N338 VanDerWaalsContact O-CG 3.25Å; N334-N338 PolarHBondContact O-N 3.46Å; N334-N338 PolarHBondContact O-ND2 2.81Å; E335-N338 PolarHBondContact O-N 2.85Å; E335-N338 VanDerWaalsContact O-N 3.13Å
339G48.2Very low66.1Low68 Ų68107.8 Ų107.870%0.70160%0.602SS**THydrogen-bonded Turntrans61.849.4166.900000114E335E335-G339 PolarHBondContact O-N 3.31Å; E335-G339 VanDerWaalsContact O-N 3.13Å
340I46.8Very low64.9Low218 Ų218106.6 Ų106.6100%1.11861%0.606SS**  trans-980159.6-59.9179.1000108.2

Retrieved 340 of 340 residues in 382.9 ms (Link to these results)

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