A0A096MYA4_PAPAN Loading...

Acyltransferase

AlphaFold DB , UniProt , Accession A0A096MYA4, Species PAPAN (Papio anubis, Olive baboon), Gene MOGAT2, Length 334 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
1M72.5Confident84.1Confident233 Ų233117.5 Ų117.5100%1.14858%0.583SS**  0134.10-170.3178.1-7200107.3S270M1-S270 PolarHBondContact O-OG 3.44Å
2V82.2Confident85Confident61 Ų61116.8 Ų116.837%0.3758%0.577SS.*  trans-77.9122-179.6179.50000109F4 Q268 S270 F271V2-F4 HydrophobicContact CB-CE2 4.1Å; V2-F4 HydrophobicContact CB-CZ 4.34Å; V2-F4 HydrophobicContact CG1-CD1 4.4Å; V2-F4 HydrophobicContact CG1-CD2 4.19Å; V2-F4 HydrophobicContact CG1-CE1 4.08Å; V2-F4 HydrophobicContact CG1-CE2 3.85Å; V2-F4 HydrophobicContact CG1-CG 4.46Å; V2-F4 HydrophobicContact CG1-CZ 3.79Å; V2-Q268 HydrophobicContact CG1-CB 3.86Å; V2-Q268 HydrophobicContact CG1-CG 4.01Å; V2-S270 WeakPolarHBondContact CA-OG 3.36Å; V2-F271 HydrophobicContact CG2-CE1 4.13Å
3E85.1Confident85.7Confident120 Ų120115.4 Ų115.456%0.56156%0.562SS**  trans-91.9102.9175.7-171.7-174.2166.600108.8Q268 Y269 S270E3-Q268 CarbonylContact O-C 3.53Å; E3-Q268 VanDerWaalsContact O-CA 3.31Å; E3-Q268 WeakPolarHBondContact O-CA 3.41Å; E3-Q268 WeakPolarHBondContact O-CB 3.25Å; E3-Y269 HydrophobicContact CG-CD2 4.26Å; E3-Y269 PolarHBondContact O-N 2.98Å; E3-S270 PolarHBondContact N-OG 2.76Å
4F86.6Confident86.3Confident148 Ų148115.9 Ų115.965%0.64955%0.554SS**BIsolated β-bridgetrans-75.2148.2179-71.2-81.4000111.8V2 Q268V2-F4 HydrophobicContact CB-CE2 4.1Å; V2-F4 HydrophobicContact CB-CZ 4.34Å; V2-F4 HydrophobicContact CG1-CD1 4.4Å; V2-F4 HydrophobicContact CG1-CD2 4.19Å; V2-F4 HydrophobicContact CG1-CE1 4.08Å; V2-F4 HydrophobicContact CG1-CE2 3.85Å; V2-F4 HydrophobicContact CG1-CG 4.46Å; V2-F4 HydrophobicContact CG1-CZ 3.79Å; F4-Q268 HydrophobicContact CD1-CB 3.98Å; F4-Q268 HydrophobicContact CE1-CB 4.43Å
5A80.2Confident87Confident25 Ų25110.3 Ų110.321%0.20753%0.529CS..PPolyproline II helixtrans-63.8139.617200000109.8F267 Y269A5-F267 WeakPolarHBondContact CB-O 3.15Å; A5-F267 PolarHBondContact N-O 2.66Å; A5-Y269 HydrophobicContact CB-CE1 3.78Å; A5-Y269 HydrophobicContact CB-CE2 4.41Å; A5-Y269 WeakPolarHBondContact CB-OH 2.99Å
6P83Confident87.7Confident80 Ų80104.4 Ų104.452%0.51950%0.5SS..PPolyproline II helixtrans-56.5145174.6-24.333.2000111.7F8 V9 Y269P6-F8 PolarHBondContact O-N 2.62Å; P6-V9 HydrophobicContact CB-CG2 4.27Å; P6-V9 HydrophobicContact CG-CG2 4.49Å; P6-V9 VanDerWaalsContact O-CG2 3.3Å; P6-V9 WeakPolarHBondContact O-CG2 3.38Å; P6-Y269 WeakPolarHBondContact CD-OH 3.07Å
7L79.6Confident88.2Confident149 Ų14999.1 Ų99.178%0.7848%0.476SS*.THydrogen-bonded Turntrans-61.3-33.7177.6-67.1172.9000112V9 R14L7-V9 PolarHBondContact O-N 2.79Å; L7-R14 PolarHBondContact O-NH2 2.77Å
8F84.8Confident88.7Confident192 Ų19299.1 Ų99.184%0.84248%0.479SS*.THydrogen-bonded Turntrans-101.151.2-176.9-58.3-73.2000113P6P6-F8 PolarHBondContact O-N 2.62Å
9V86.4Confident89.2Confident23 Ų2393.9 Ų93.914%0.13945%0.454CS..  trans-73.5128.6168.6172.50000109.9P6 L7 R13 R14P6-V9 HydrophobicContact CB-CG2 4.27Å; P6-V9 HydrophobicContact CG-CG2 4.49Å; P6-V9 VanDerWaalsContact O-CG2 3.3Å; P6-V9 WeakPolarHBondContact O-CG2 3.38Å; L7-V9 PolarHBondContact O-N 2.79Å; V9-R13 HydrophobicContact CG1-CB 3.56Å; V9-R14 HydrophobicContact CG1-CG 4.14Å; V9-R14 PolarHBondContact O-NE 3.11Å
10P92.6Very high89.6Confident79 Ų7989.3 Ų89.351%0.51343%0.431SS..  trans-52.2145.6177.9-27.934.3000113.1E12 R13 R14P10-E12 VanDerWaalsContact C-N 3.25Å; P10-E12 PolarHBondContact O-N 3.27Å; P10-R13 PolarHBondContact O-N 2.9Å; P10-R14 PolarHBondContact O-N 2.84Å
11W92.4Very high90Very high182 Ų18288.1 Ų88.169%0.68943%0.427SS*.Hα-helixtrans-53.7-42.4-178.1-178.8-111.8000112.8R13 R14 L15W11-R13 PolarHBondContact O-N 3.05Å; W11-R14 WeakPolarHBondContact O-CA 3.47Å; W11-R14 WeakPolarHBondContact O-CB 3.4Å; W11-R14 PolarHBondContact O-N 3.08Å; W11-L15 HydrophobicContact CZ2-CD2 3.98Å; W11-L15 HydrophobicContact CZ2-CG 4.47Å; W11-L15 PolarHBondContact O-N 2.87Å
12E94.6Very high91.2Very high109 Ų10978.8 Ų78.851%0.50938%0.381SS..Hα-helixtrans-58.4-44.3177.6-170.2-178.6172.200112.5P10 R14 L15 Q16 Y82P10-E12 VanDerWaalsContact C-N 3.25Å; P10-E12 PolarHBondContact O-N 3.27Å; E12-R14 PolarHBondContact O-N 3.33Å; E12-L15 PolarHBondContact O-N 3.23Å; E12-L15 VanDerWaalsContact O-N 3.14Å; E12-Q16 VanDerWaalsContact O-CG 3.27Å; E12-Q16 WeakPolarHBondContact O-CG 3.26Å; E12-Q16 PolarHBondContact O-N 2.89Å; E12-Y82 HydrophobicContact CG-CE1 4.47Å
13R94Very high91.9Very high99 Ų9976.4 Ų76.437%0.37437%0.365SS..Hα-helixtrans-65-28.6176.5-71.3-168.972.3-175.40.6112.3V9 P10 W11 T17 R277V9-R13 HydrophobicContact CG1-CB 3.56Å; P10-R13 PolarHBondContact O-N 2.9Å; W11-R13 PolarHBondContact O-N 3.05Å; R13-T17 PolarHBondContact O-N 2.8Å; R13-T17 VanDerWaalsContact O-N 3.07Å; R13-T17 PolarHBondContact O-OG1 2.83Å; R13-R277 PolarHBondContact O-NH2 2.95Å
14R94.5Very high92.4Very high122 Ų12271 Ų7146%0.4634%0.34SS..Hα-helixtrans-69.8-44.4173-58.8179.5-175.7-148-4.2110.8L7 V9 P10 W11 E12 T17 L18L7-R14 PolarHBondContact O-NH2 2.77Å; V9-R14 HydrophobicContact CG1-CG 4.14Å; V9-R14 PolarHBondContact O-NE 3.11Å; P10-R14 PolarHBondContact O-N 2.84Å; W11-R14 WeakPolarHBondContact O-CA 3.47Å; W11-R14 WeakPolarHBondContact O-CB 3.4Å; W11-R14 PolarHBondContact O-N 3.08Å; E12-R14 PolarHBondContact O-N 3.33Å; R14-T17 WeakPolarHBondContact O-CB 3.35Å; R14-T17 PolarHBondContact O-N 2.66Å; R14-T17 VanDerWaalsContact O-N 3.13Å; R14-L18 PolarHBondContact O-N 3.41Å
15L96.8Very high92.9Very high33 Ų3368.2 Ų68.217%0.17333%0.328CS..Hα-helixtrans-62.6-42.3175.3-66.7-179.1000112.6W11 E12 T17 L18 A19 Y82W11-L15 HydrophobicContact CZ2-CD2 3.98Å; W11-L15 HydrophobicContact CZ2-CG 4.47Å; W11-L15 PolarHBondContact O-N 2.87Å; E12-L15 PolarHBondContact O-N 3.23Å; E12-L15 VanDerWaalsContact O-N 3.14Å; L15-T17 VanDerWaalsContact C-N 3.29Å; L15-T17 PolarHBondContact O-N 2.85Å; L15-L18 WeakPolarHBondContact O-CB 3.37Å; L15-L18 PolarHBondContact O-N 3.15Å; L15-A19 WeakPolarHBondContact O-CB 3.19Å; L15-A19 PolarHBondContact O-N 3.05Å; L15-Y82 HydrophobicContact CB-CD1 3.88Å; L15-Y82 HydrophobicContact CB-CD2 4.32Å; L15-Y82 HydrophobicContact CB-CE1 3.89Å; L15-Y82 HydrophobicContact CB-CE2 4.32Å; L15-Y82 HydrophobicContact CB-CG 4.11Å; L15-Y82 HydrophobicContact CD1-CE1 3.78Å; L15-Y82 HydrophobicContact CD1-CE2 4.03Å; L15-Y82 VanDerWaalsContact CD1-CZ 3.46Å; L15-Y82 WeakPolarHBondContact CD1-OH 3.37Å
16Q97.8Very high93.6Very high15 Ų1567.5 Ų67.57%0.0732%0.322CS..Hα-helixtrans-57-43.2171.1-68.1170.4-2.200111.8E12 A19 V20 Y82 D85 Y86E12-Q16 VanDerWaalsContact O-CG 3.27Å; E12-Q16 WeakPolarHBondContact O-CG 3.26Å; E12-Q16 PolarHBondContact O-N 2.89Å; Q16-A19 PolarHBondContact O-N 2.64Å; Q16-V20 PolarHBondContact O-N 3.45Å; Q16-V20 VanDerWaalsContact O-N 3.13Å; Q16-Y82 HydrophobicContact CG-CD1 4.29Å; Q16-Y82 WeakPolarHBondContact CG-O 3.49Å; Q16-D85 HydrophobicContact CG-CB 4.33Å; Q16-Y86 HydrophobicContact CB-CD2 3.96Å; Q16-Y86 WeakPolarHBondContact O-CD2 3.45Å
17T96.7Very high94Very high14 Ų1466.7 Ų66.79%0.08631%0.31CS..Hα-helixtrans-67.5-40.1177.2-55.40000111.7R13 R14 L15 A19 V20 L21 R264 V266 R277R13-T17 PolarHBondContact O-N 2.8Å; R13-T17 VanDerWaalsContact O-N 3.07Å; R13-T17 PolarHBondContact O-OG1 2.83Å; R14-T17 WeakPolarHBondContact O-CB 3.35Å; R14-T17 PolarHBondContact O-N 2.66Å; R14-T17 VanDerWaalsContact O-N 3.13Å; L15-T17 VanDerWaalsContact C-N 3.29Å; L15-T17 PolarHBondContact O-N 2.85Å; T17-A19 VanDerWaalsContact C-N 3.34Å; T17-V20 PolarHBondContact O-N 3.15Å; T17-L21 VanDerWaalsContact O-CB 3.3Å; T17-L21 WeakPolarHBondContact O-CB 3.45Å; T17-L21 PolarHBondContact O-N 3.36Å; T17-R264 VanDerWaalsContact CG2-NH2 3.27Å; T17-R264 PolarHBondContact OG1-NH2 3.13Å; T17-R264 VanDerWaalsContact OG1-NH2 3.16Å; T17-V266 HydrophobicContact CG2-CG1 4.36Å; T17-R277 PolarHBondContact OG1-NH2 3.2Å
18L97.2Very high94.6Very high100 Ų10062.7 Ų62.752%0.52429%0.289SS..Hα-helixtrans-62.4-41.6175.3178.463.4000111.5R14 L15 L21 Q22R14-L18 PolarHBondContact O-N 3.41Å; L15-L18 WeakPolarHBondContact O-CB 3.37Å; L15-L18 PolarHBondContact O-N 3.15Å; L18-L21 PolarHBondContact O-N 2.7Å; L18-Q22 WeakPolarHBondContact O-CB 3.28Å; L18-Q22 PolarHBondContact O-N 3.41Å
19A98Very high95.1Very high1 Ų155 Ų551%0.00826%0.261CS..Hα-helixtrans-60.7-46.4176.600000111.8L15 Q16 T17 Q22 F23 I79 M83L15-A19 WeakPolarHBondContact O-CB 3.19Å; L15-A19 PolarHBondContact O-N 3.05Å; Q16-A19 PolarHBondContact O-N 2.64Å; T17-A19 VanDerWaalsContact C-N 3.34Å; A19-Q22 PolarHBondContact O-N 3.42Å; A19-F23 PolarHBondContact O-N 2.77Å; A19-I79 HydrophobicContact CB-CD1 4.49Å; A19-I79 HydrophobicContact CB-CG1 3.59Å; A19-I79 WeakPolarHBondContact CB-O 3.31Å; A19-M83 HydrophobicContact CB-CB 4.26Å
20V97.9Very high95.6Very high0 Ų055.6 Ų55.60%026%0.263CS..Hα-helixtrans-68.9-37.5176.5174.30000112Q16 T17 Q22 F23 V24 M83 Y86 F87 I274 P275Q16-V20 PolarHBondContact O-N 3.45Å; Q16-V20 VanDerWaalsContact O-N 3.13Å; T17-V20 PolarHBondContact O-N 3.15Å; V20-Q22 VanDerWaalsContact C-N 3.31Å; V20-Q22 PolarHBondContact O-N 3.03Å; V20-F23 PolarHBondContact O-N 3.11Å; V20-V24 HydrophobicContact CG1-CG2 4.22Å; V20-V24 WeakPolarHBondContact O-CB 3.44Å; V20-V24 VanDerWaalsContact O-CG2 3.28Å; V20-V24 WeakPolarHBondContact O-CG2 3.39Å; V20-V24 PolarHBondContact O-N 2.92Å; V20-M83 HydrophobicContact CG2-CG 4.23Å; V20-Y86 HydrophobicContact CB-CD1 4.44Å; V20-Y86 HydrophobicContact CB-CD2 4.32Å; V20-Y86 HydrophobicContact CB-CE1 4.48Å; V20-Y86 HydrophobicContact CB-CE2 4.38Å; V20-Y86 HydrophobicContact CB-CG 4.34Å; V20-Y86 HydrophobicContact CG1-CE1 4.26Å; V20-Y86 HydrophobicContact CG2-CD1 3.52Å; V20-Y86 HydrophobicContact CG2-CD2 3.75Å; V20-Y86 HydrophobicContact CG2-CE1 4.01Å; V20-Y86 HydrophobicContact CG2-CE2 4.22Å; V20-Y86 HydrophobicContact CG2-CG 3.36Å; V20-F87 HydrophobicContact CG1-CE2 4.33Å; V20-F87 HydrophobicContact CG1-CZ 4.03Å; V20-F87 HydrophobicContact CG2-CD2 4.32Å; V20-F87 HydrophobicContact CG2-CE2 3.57Å; V20-F87 HydrophobicContact CG2-CZ 4.01Å; V20-I274 HydrophobicContact CG1-CG2 4.15Å; V20-P275 HydrophobicContact CG1-CB 4.46Å; V20-P275 HydrophobicContact CG1-CG 3.78Å
21L97.2Very high95.7Very high65 Ų6551.9 Ų51.934%0.3424%0.239SC..Hα-helixtrans-59.7-43.5173.2175.564.6000111.1T17 L18 V24 F25 V266 I274T17-L21 VanDerWaalsContact O-CB 3.3Å; T17-L21 WeakPolarHBondContact O-CB 3.45Å; T17-L21 PolarHBondContact O-N 3.36Å; L18-L21 PolarHBondContact O-N 2.7Å; L21-V24 PolarHBondContact O-N 3.03Å; L21-F25 WeakPolarHBondContact O-CB 3.25Å; L21-F25 PolarHBondContact O-N 3.41Å; L21-V266 HydrophobicContact CD1-CG2 4.21Å; L21-V266 HydrophobicContact CD2-CG2 4.24Å; L21-I274 HydrophobicContact CB-CD1 3.79Å; L21-I274 HydrophobicContact CD1-CD1 3.78Å; L21-I274 HydrophobicContact CG-CD1 4.39Å
22Q97.1Very high95.9Very high38 Ų3847.2 Ų47.218%0.17823%0.225CC..Hα-helixtrans-62.7-43.8175.3-179.9-85.6-52.100111.6L18 A19 V20 F25 S26 I79 Y154L18-Q22 WeakPolarHBondContact O-CB 3.28Å; L18-Q22 PolarHBondContact O-N 3.41Å; A19-Q22 PolarHBondContact O-N 3.42Å; V20-Q22 VanDerWaalsContact C-N 3.31Å; V20-Q22 PolarHBondContact O-N 3.03Å; Q22-F25 PolarHBondContact O-N 3.4Å; Q22-S26 PolarHBondContact NE2-OG 3.23Å; Q22-S26 WeakPolarHBondContact O-CB 3.39Å; Q22-S26 PolarHBondContact O-N 2.81Å; Q22-S26 PolarHBondContact O-OG 3.05Å; Q22-I79 HydrophobicContact CB-CD1 3.87Å; Q22-I79 HydrophobicContact CG-CD1 3.83Å; Q22-I79 VanDerWaalsContact OE1-CD1 3.32Å; Q22-Y154 PolarHBondContact NE2-OH 2.95Å
23F97.2Very high96Very high10 Ų1046.3 Ų46.34%0.04422%0.223CC..Hα-helixtrans-59.8-49.5175.2171.4-106.3000112.2A19 V20 F25 S26 F27 M83 L113 A115 F118A19-F23 PolarHBondContact O-N 2.77Å; V20-F23 PolarHBondContact O-N 3.11Å; F23-F25 PolarHBondContact O-N 3.34Å; F23-S26 PolarHBondContact O-N 3.48Å; F23-F27 PolarHBondContact O-N 2.87Å; F23-M83 HydrophobicContact CB-CE 4.36Å; F23-M83 HydrophobicContact CB-SD 4.03Å; F23-M83 HydrophobicContact CD1-CE 3.7Å; F23-M83 HydrophobicContact CD1-SD 4.47Å; F23-M83 HydrophobicContact CD2-CE 3.81Å; F23-M83 HydrophobicContact CD2-SD 4.07Å; F23-M83 HydrophobicContact CE1-CE 3.86Å; F23-M83 HydrophobicContact CE2-CE 3.98Å; F23-M83 HydrophobicContact CG-CE 3.67Å; F23-M83 HydrophobicContact CG-SD 3.93Å; F23-M83 HydrophobicContact CZ-CE 4Å; F23-L113 HydrophobicContact CE1-CB 4.03Å; F23-L113 HydrophobicContact CE1-CD1 4.19Å; F23-L113 HydrophobicContact CZ-CB 4.33Å; F23-A115 HydrophobicContact CE1-CB 4.12Å; F23-A115 HydrophobicContact CZ-CB 4.38Å; F23-F118 AromaticContact CD2-CD1 3.87Å; F23-F118 HydrophobicContact CD2-CD1 3.87Å; F23-F118 AromaticContact CD2-CE1 3.98Å; F23-F118 HydrophobicContact CD2-CE1 3.98Å; F23-F118 HydrophobicContact CD2-CG 4.44Å; F23-F118 HydrophobicContact CE2-CB 4.04Å; F23-F118 AromaticContact CE2-CD1 3.55Å; F23-F118 HydrophobicContact CE2-CD1 3.55Å; F23-F118 HydrophobicContact CE2-CD2 4.34Å; F23-F118 HydrophobicContact CE2-CE1 4.08Å; F23-F118 AromaticContact CE2-CG 3.71Å; F23-F118 HydrophobicContact CE2-CG 3.71Å; F23-F118 HydrophobicContact CZ-CB 4.42Å
24V96.3Very high96.2Very high6 Ų642.6 Ų42.64%0.03621%0.212CC..Hα-helixtrans-61.6-45178.1171.70000111V20 L21 S26 F27 L28 L113 L273 I274 P275V20-V24 HydrophobicContact CG1-CG2 4.22Å; V20-V24 WeakPolarHBondContact O-CB 3.44Å; V20-V24 VanDerWaalsContact O-CG2 3.28Å; V20-V24 WeakPolarHBondContact O-CG2 3.39Å; V20-V24 PolarHBondContact O-N 2.92Å; L21-V24 PolarHBondContact O-N 3.03Å; V24-S26 PolarHBondContact O-N 3.02Å; V24-F27 PolarHBondContact O-N 3.49Å; V24-L28 HydrophobicContact CG1-CD1 3.66Å; V24-L28 HydrophobicContact CG1-CG 4.38Å; V24-L28 WeakPolarHBondContact O-CB 3.4Å; V24-L28 WeakPolarHBondContact O-CG 3.5Å; V24-L28 PolarHBondContact O-N 2.88Å; V24-L113 HydrophobicContact CG2-CD1 3.96Å; V24-L273 HydrophobicContact CG1-CB 4.36Å; V24-I274 HydrophobicContact CG2-CD1 4.47Å; V24-P275 HydrophobicContact CG2-CG 4.13Å
25F96Very high96.4Very high90 Ų9040.2 Ų40.240%0.39521%0.207SC..Hα-helixtrans-60.7-44.2176.1171.5-98.3000111.9L21 Q22 F23 F27 L28 A29 L30 I33L21-F25 WeakPolarHBondContact O-CB 3.25Å; L21-F25 PolarHBondContact O-N 3.41Å; Q22-F25 PolarHBondContact O-N 3.4Å; F23-F25 PolarHBondContact O-N 3.34Å; F25-F27 VanDerWaalsContact C-N 3.25Å; F25-F27 PolarHBondContact O-N 2.8Å; F25-L28 PolarHBondContact O-N 3Å; F25-A29 HydrophobicContact CD2-CB 3.97Å; F25-A29 HydrophobicContact CE2-CB 3.97Å; F25-A29 PolarHBondContact O-N 3.16Å; F25-L30 HydrophobicContact CD1-CB 4.47Å; F25-L30 HydrophobicContact CE1-CB 4.19Å; F25-L30 HydrophobicContact CE1-CD1 4.05Å; F25-L30 PolarHBondContact O-N 3.06Å; F25-L30 VanDerWaalsContact O-N 3.11Å; F25-I33 HydrophobicContact CE2-CD1 3.5Å; F25-I33 HydrophobicContact CZ-CD1 3.39Å
26S94.9Very high96.4Very high11 Ų1143.3 Ų43.38%0.07723%0.227CC..Hα-helixtrans-60-35.9175.6-77.60000112.8Q22 F23 V24 F151 Y154Q22-S26 PolarHBondContact NE2-OG 3.23Å; Q22-S26 WeakPolarHBondContact O-CB 3.39Å; Q22-S26 PolarHBondContact O-N 2.81Å; Q22-S26 PolarHBondContact O-OG 3.05Å; F23-S26 PolarHBondContact O-N 3.48Å; V24-S26 PolarHBondContact O-N 3.02Å; S26-F151 VanDerWaalsContact O-CE2 3.24Å; S26-F151 WeakPolarHBondContact O-CE2 3.33Å; S26-Y154 PolarHBondContact OG-OH 3.5Å
27F91.6Very high96.4Very high62 Ų6244 Ų4427%0.27224%0.238SC..Hα-helixtrans-77.8-38.3179.5-167.5-81.5000113F23 V24 F25 L113F23-F27 PolarHBondContact O-N 2.87Å; V24-F27 PolarHBondContact O-N 3.49Å; F25-F27 VanDerWaalsContact C-N 3.25Å; F25-F27 PolarHBondContact O-N 2.8Å; F27-L113 HydrophobicContact CD1-CD2 3.45Å; F27-L113 VanDerWaalsContact CD1-CD2 3.45Å; F27-L113 HydrophobicContact CD2-CD2 4.5Å; F27-L113 HydrophobicContact CE1-CD2 3.5Å; F27-L113 VanDerWaalsContact CE1-CD2 3.5Å; F27-L113 HydrophobicContact CG-CD2 3.98Å; F27-L113 HydrophobicContact CZ-CD2 4.07Å
28L92.3Very high96.5Very high66 Ų6644.5 Ų44.535%0.34624%0.24SC..Hα-helixtrans-100.6-21.8-168.9-65177.9000115.8V24 F25 F261 L273V24-L28 HydrophobicContact CG1-CD1 3.66Å; V24-L28 HydrophobicContact CG1-CG 4.38Å; V24-L28 WeakPolarHBondContact O-CB 3.4Å; V24-L28 WeakPolarHBondContact O-CG 3.5Å; V24-L28 PolarHBondContact O-N 2.88Å; F25-L28 PolarHBondContact O-N 3Å; L28-F261 HydrophobicContact CD1-CZ 4.27Å; L28-F261 HydrophobicContact CD2-CZ 4.43Å; L28-L273 HydrophobicContact CD1-CD1 4.29Å
29A95.2Very high96.5Very high31 Ų3143.8 Ų43.826%0.25624%0.235SC..THydrogen-bonded Turntrans-140.3-23.1-168.400000115.3F25 A31 E32 I33F25-A29 HydrophobicContact CD2-CB 3.97Å; F25-A29 HydrophobicContact CE2-CB 3.97Å; F25-A29 PolarHBondContact O-N 3.16Å; A29-A31 VanDerWaalsContact C-N 3.33Å; A29-A31 PolarHBondContact O-N 3.46Å; A29-E32 WeakPolarHBondContact CA-OE2 3.5Å; A29-E32 PolarHBondContact O-N 3.43Å; A29-I33 HydrophobicContact CB-CD1 4.32Å; A29-I33 VanDerWaalsContact O-CG1 3.32Å; A29-I33 WeakPolarHBondContact O-CG1 3.42Å; A29-I33 PolarHBondContact O-N 3.16Å
30L96.8Very high96.5Very high35 Ų3546.1 Ų46.118%0.18326%0.255CS..Hα-helixtrans-64.4-38-172.2178.260.8000112.5F25 I33 C34 F151 Y154F25-L30 HydrophobicContact CD1-CB 4.47Å; F25-L30 HydrophobicContact CE1-CB 4.19Å; F25-L30 HydrophobicContact CE1-CD1 4.05Å; F25-L30 PolarHBondContact O-N 3.06Å; F25-L30 VanDerWaalsContact O-N 3.11Å; L30-I33 PolarHBondContact O-N 3.17Å; L30-C34 WeakPolarHBondContact O-CB 3.43Å; L30-C34 PolarHBondContact O-N 3.02Å; L30-C34 PolarHBondContact O-SG 2.84Å; L30-F151 HydrophobicContact CB-CD2 4.17Å; L30-F151 HydrophobicContact CB-CE2 4.19Å; L30-F151 HydrophobicContact CD2-CD2 3.82Å; L30-F151 HydrophobicContact CD2-CE2 4.03Å; L30-F151 HydrophobicContact CG-CD2 3.79Å; L30-F151 HydrophobicContact CG-CE2 4.21Å; L30-Y154 HydrophobicContact CD2-CD1 3.82Å; L30-Y154 HydrophobicContact CD2-CE1 3.93Å; L30-Y154 HydrophobicContact CD2-CG 4.49Å
31A95.9Very high96.5Very high1 Ų149 Ų491%0.00827%0.27CS..Hα-helixtrans-63.5-44.5179.400000111.9A29 C34 I35 W145 A148 F151A29-A31 VanDerWaalsContact C-N 3.33Å; A29-A31 PolarHBondContact O-N 3.46Å; A31-C34 PolarHBondContact O-N 3.11Å; A31-I35 VanDerWaalsContact O-CG1 3.29Å; A31-I35 WeakPolarHBondContact O-CG1 3.45Å; A31-I35 PolarHBondContact O-N 3.27Å; A31-W145 HydrophobicContact CB-CE3 3.59Å; A31-W145 HydrophobicContact CB-CZ3 3.41Å; A31-W145 VanDerWaalsContact CB-CZ3 3.41Å; A31-A148 HydrophobicContact CB-CB 4.05Å; A31-F151 HydrophobicContact CB-CB 4.29Å; A31-F151 HydrophobicContact CB-CD1 3.55Å; A31-F151 HydrophobicContact CB-CD2 4.3Å; A31-F151 HydrophobicContact CB-CE1 3.82Å; A31-F151 HydrophobicContact CB-CG 3.79Å; A31-F151 HydrophobicContact CB-CZ 4.31Å
32E95.7Very high96.5Very high84 Ų8449 Ų4939%0.39327%0.27SS..Hα-helixtrans-62.2-45.8177.8-63.974.1-167.200110.2A29 C34 I35 V36A29-E32 WeakPolarHBondContact CA-OE2 3.5Å; A29-E32 PolarHBondContact O-N 3.43Å; E32-C34 VanDerWaalsContact C-N 3.33Å; E32-C34 PolarHBondContact O-N 2.99Å; E32-I35 PolarHBondContact O-N 2.68Å; E32-V36 WeakPolarHBondContact O-CG2 3.34Å; E32-V36 PolarHBondContact O-N 2.78Å
33I97.7Very high96.5Very high90 Ų9055.3 Ų55.346%0.46230%0.297SS..Hα-helixtrans-62.3-41.8175.8-69.8167000110.7F25 A29 L30 I35 V36 G37F25-I33 HydrophobicContact CE2-CD1 3.5Å; F25-I33 HydrophobicContact CZ-CD1 3.39Å; A29-I33 HydrophobicContact CB-CD1 4.32Å; A29-I33 VanDerWaalsContact O-CG1 3.32Å; A29-I33 WeakPolarHBondContact O-CG1 3.42Å; A29-I33 PolarHBondContact O-N 3.16Å; L30-I33 PolarHBondContact O-N 3.17Å; I33-I35 VanDerWaalsContact C-N 3.34Å; I33-I35 PolarHBondContact O-N 2.83Å; I33-V36 PolarHBondContact O-N 3.04Å; I33-G37 PolarHBondContact O-N 2.87Å
34C97.9Very high96.5Very high20 Ų2057.5 Ų57.514%0.13531%0.311CS..Hα-helixtrans-65-37.4176.7-70.30000112.4L30 A31 E32 F38 P149 F150 F151L30-C34 WeakPolarHBondContact O-CB 3.43Å; L30-C34 PolarHBondContact O-N 3.02Å; L30-C34 PolarHBondContact O-SG 2.84Å; A31-C34 PolarHBondContact O-N 3.11Å; E32-C34 VanDerWaalsContact C-N 3.33Å; E32-C34 PolarHBondContact O-N 2.99Å; C34-F38 VanDerWaalsContact O-CB 3.25Å; C34-F38 WeakPolarHBondContact O-CB 3.26Å; C34-F38 PolarHBondContact O-N 3.29Å; C34-P149 WeakPolarHBondContact CB-O 3.44Å; C34-F150 HydrophobicContact CB-CB 4.3Å; C34-F150 HydrophobicContact CB-CD2 4.27Å; C34-F151 HydrophobicContact CB-CB 4.28Å
35I97.5Very high96.6Very high72 Ų7267.8 Ų67.837%0.36935%0.349SS..Hα-helixtrans-64.8-51.9174.9-69.7162.3000110.3A31 E32 I33 G37 F38 I39 A148A31-I35 VanDerWaalsContact O-CG1 3.29Å; A31-I35 WeakPolarHBondContact O-CG1 3.45Å; A31-I35 PolarHBondContact O-N 3.27Å; E32-I35 PolarHBondContact O-N 2.68Å; I33-I35 VanDerWaalsContact C-N 3.34Å; I33-I35 PolarHBondContact O-N 2.83Å; I35-G37 VanDerWaalsContact C-N 3.31Å; I35-G37 PolarHBondContact O-N 2.92Å; I35-F38 PolarHBondContact O-N 3.45Å; I35-I39 HydrophobicContact CG2-CD1 3.95Å; I35-I39 WeakPolarHBondContact O-CG1 3.35Å; I35-I39 PolarHBondContact O-N 2.92Å; I35-A148 HydrophobicContact CD1-CB 4.08Å; I35-A148 HydrophobicContact CG1-CB 4.08Å
36V97.9Very high96.6Very high98 Ų9868.1 Ų68.159%0.59435%0.351SS*.Hα-helixtrans-60.9-43.4178.91730000110.6E32 I33 I39 A40E32-V36 WeakPolarHBondContact O-CG2 3.34Å; E32-V36 PolarHBondContact O-N 2.78Å; I33-V36 PolarHBondContact O-N 3.04Å; V36-I39 PolarHBondContact O-N 2.73Å; V36-A40 VanDerWaalsContact O-CB 3.32Å; V36-A40 WeakPolarHBondContact O-CB 3.25Å; V36-A40 PolarHBondContact O-N 2.79Å
37G97.8Very high96.8Very high29 Ų2974.2 Ų74.230%0.29937%0.372SS..Hα-helixtrans-61.9-44.2176.500000112.5I33 I35 I39 A40 L41I33-G37 PolarHBondContact O-N 2.87Å; I35-G37 VanDerWaalsContact C-N 3.31Å; I35-G37 PolarHBondContact O-N 2.92Å; G37-I39 PolarHBondContact O-N 3.34Å; G37-A40 PolarHBondContact O-N 3.5Å; G37-L41 WeakPolarHBondContact O-CB 3.34Å; G37-L41 VanDerWaalsContact O-CG 3.23Å; G37-L41 WeakPolarHBondContact O-CG 3.17Å; G37-L41 PolarHBondContact O-N 3.24Å
38F97.8Very high97.1Very high26 Ų2675.8 Ų75.811%0.11438%0.383CS..Hα-helixtrans-58.9-47174.5173.7-97.8000111.8C34 I35 L41 L42 T50 Y53 A54 W57 P149 F150C34-F38 VanDerWaalsContact O-CB 3.25Å; C34-F38 WeakPolarHBondContact O-CB 3.26Å; C34-F38 PolarHBondContact O-N 3.29Å; I35-F38 PolarHBondContact O-N 3.45Å; F38-L41 PolarHBondContact O-N 2.94Å; F38-L42 HydrophobicContact CE1-CD1 4.22Å; F38-L42 PolarHBondContact O-N 3.4Å; F38-T50 HydrophobicContact CD2-CG2 3.61Å; F38-T50 HydrophobicContact CE2-CG2 3.37Å; F38-T50 HydrophobicContact CG-CG2 4.41Å; F38-T50 HydrophobicContact CZ-CG2 4.03Å; F38-Y53 HydrophobicContact CD2-CD1 4.04Å; F38-Y53 HydrophobicContact CD2-CE1 4.15Å; F38-Y53 AromaticContact CE2-CD1 3.75Å; F38-Y53 HydrophobicContact CE2-CD1 3.75Å; F38-Y53 HydrophobicContact CE2-CE1 4.11Å; F38-A54 HydrophobicContact CE2-CB 4.22Å; F38-A54 HydrophobicContact CZ-CB 3.9Å; F38-W57 HydrophobicContact CE1-CZ3 4.31Å; F38-W57 HydrophobicContact CZ-CE3 4.46Å; F38-W57 HydrophobicContact CZ-CZ3 4.34Å; F38-P149 HydrophobicContact CB-CB 4.15Å; F38-P149 HydrophobicContact CB-CG 3.49Å; F38-P149 VanDerWaalsContact CB-CG 3.49Å; F38-P149 HydrophobicContact CD1-CG 4.1Å; F38-P149 HydrophobicContact CD2-CB 4.04Å; F38-P149 HydrophobicContact CD2-CG 4.2Å; F38-P149 HydrophobicContact CG-CB 4.03Å; F38-P149 HydrophobicContact CG-CG 3.66Å; F38-F150 HydrophobicContact CB-CE2 3.83Å; F38-F150 HydrophobicContact CD2-CE2 4.18Å; F38-F150 HydrophobicContact CD2-CZ 4.15Å
39I97.8Very high97.3Very high84 Ų8478 Ų7843%0.43140%0.395SS..Hα-helixtrans-62.7-47.4177.6-66.2167.8000110.3I35 V36 G37 L41 L42 F43I35-I39 HydrophobicContact CG2-CD1 3.95Å; I35-I39 WeakPolarHBondContact O-CG1 3.35Å; I35-I39 PolarHBondContact O-N 2.92Å; V36-I39 PolarHBondContact O-N 2.73Å; G37-I39 PolarHBondContact O-N 3.34Å; I39-L41 VanDerWaalsContact C-N 3.31Å; I39-L41 PolarHBondContact O-N 3.32Å; I39-L42 WeakPolarHBondContact O-CB 3.27Å; I39-L42 PolarHBondContact O-N 2.83Å; I39-F43 HydrophobicContact CG2-CE2 3.94Å; I39-F43 WeakPolarHBondContact O-CD2 3.29Å
40A97.9Very high97.4Very high51 Ų5176.8 Ų76.842%0.42138%0.384SS..Hα-helixtrans-59.2-41.618000000111.9V36 G37 L42 F43 T44V36-A40 VanDerWaalsContact O-CB 3.32Å; V36-A40 WeakPolarHBondContact O-CB 3.25Å; V36-A40 PolarHBondContact O-N 2.79Å; G37-A40 PolarHBondContact O-N 3.5Å; A40-L42 PolarHBondContact O-N 3.45Å; A40-F43 PolarHBondContact O-N 2.89Å; A40-T44 WeakPolarHBondContact O-CG2 3.32Å
41L97.8Very high97.4Very high60 Ų6078.3 Ų78.331%0.31440%0.395SS..Hα-helixtrans-60.2-31179.6-74.4168.8000113.2G37 F38 I39 F43 T44 F46 T50 F150G37-L41 WeakPolarHBondContact O-CB 3.34Å; G37-L41 VanDerWaalsContact O-CG 3.23Å; G37-L41 WeakPolarHBondContact O-CG 3.17Å; G37-L41 PolarHBondContact O-N 3.24Å; F38-L41 PolarHBondContact O-N 2.94Å; I39-L41 VanDerWaalsContact C-N 3.31Å; I39-L41 PolarHBondContact O-N 3.32Å; L41-F43 PolarHBondContact O-N 3.33Å; L41-T44 PolarHBondContact O-N 2.8Å; L41-T44 VanDerWaalsContact O-N 3.11Å; L41-T44 PolarHBondContact O-OG1 2.94Å; L41-F46 HydrophobicContact CD2-CB 4.31Å; L41-F46 HydrophobicContact CD2-CD2 4.22Å; L41-T50 HydrophobicContact CB-CG2 4.16Å; L41-T50 VanDerWaalsContact CB-OG1 3.29Å; L41-T50 WeakPolarHBondContact CB-OG1 3.47Å; L41-F150 HydrophobicContact CD1-CE2 4.49Å; L41-F150 HydrophobicContact CD1-CZ 4.38Å
42L97.1Very high97.6Very high65 Ų6583.4 Ų83.434%0.3442%0.421SS..Hα-helixtrans-61.3-23.7173.9-67.7168.9000113F38 I39 A40 W47 T50 V51F38-L42 HydrophobicContact CE1-CD1 4.22Å; F38-L42 PolarHBondContact O-N 3.4Å; I39-L42 WeakPolarHBondContact O-CB 3.27Å; I39-L42 PolarHBondContact O-N 2.83Å; A40-L42 PolarHBondContact O-N 3.45Å; L42-W47 VanDerWaalsContact O-CB 3.25Å; L42-W47 WeakPolarHBondContact O-CB 3.42Å; L42-T50 HydrophobicContact CD2-CG2 3.54Å; L42-T50 HydrophobicContact CG-CG2 3.73Å; L42-V51 HydrophobicContact CD2-CG2 4.11Å
43F97.7Very high97.6Very high171 Ų17181.3 Ų81.375%0.7541%0.41SS*.THydrogen-bonded Turntrans-100.214.3179.2-59-79.8000113.1I39 A40 L41I39-F43 HydrophobicContact CG2-CE2 3.94Å; I39-F43 WeakPolarHBondContact O-CD2 3.29Å; A40-F43 PolarHBondContact O-N 2.89Å; L41-F43 PolarHBondContact O-N 3.33Å
44T97.9Very high97.6Very high55 Ų5578.5 Ų78.534%0.33740%0.4SS..SBendtrans-114.3177.2177.771.30000111.7A40 L41 F46 W47A40-T44 WeakPolarHBondContact O-CG2 3.32Å; L41-T44 PolarHBondContact O-N 2.8Å; L41-T44 VanDerWaalsContact O-N 3.11Å; L41-T44 PolarHBondContact O-OG1 2.94Å; T44-F46 PolarHBondContact O-N 2.79Å; T44-F46 WeakPolarHBondContact OG1-CD2 3.33Å; T44-F46 PolarHBondContact OG1-N 3.34Å; T44-F46 VanDerWaalsContact OG1-N 3.15Å; T44-W47 PolarHBondContact O-N 3.28Å; T44-W47 VanDerWaalsContact O-N 3.14Å
45R97.6Very high97.6Very high222 Ų22280.2 Ų80.284%0.83842%0.415SS*.THydrogen-bonded Turntrans-57.2-14.717073.4178.283.7146.53.1114
46F96.9Very high97.6Very high97 Ų9781.7 Ų81.743%0.42542%0.417SS..THydrogen-bonded Turntrans-91.14.8-179.3-55.8-68.6000113.9L41 T44 L48 L49 T50L41-F46 HydrophobicContact CD2-CB 4.31Å; L41-F46 HydrophobicContact CD2-CD2 4.22Å; T44-F46 PolarHBondContact O-N 2.79Å; T44-F46 WeakPolarHBondContact OG1-CD2 3.33Å; T44-F46 PolarHBondContact OG1-N 3.34Å; T44-F46 VanDerWaalsContact OG1-N 3.15Å; F46-L48 PolarHBondContact O-N 2.98Å; F46-L48 VanDerWaalsContact O-N 3.07Å; F46-L49 HydrophobicContact CD1-CD1 4.14Å; F46-L49 WeakPolarHBondContact O-CB 3.4Å; F46-L49 PolarHBondContact O-N 3.45Å; F46-T50 PolarHBondContact O-N 3.46Å; F46-T50 VanDerWaalsContact O-N 3.13Å; F46-T50 PolarHBondContact O-OG1 2.85Å
47W97.7Very high97.6Very high140 Ų14080.1 Ų80.153%0.5340%0.4SS..Hα-helixtrans-51.2-38.1-174.874.3-92.7000113.6L42 T44 L49 T50 V51L42-W47 VanDerWaalsContact O-CB 3.25Å; L42-W47 WeakPolarHBondContact O-CB 3.42Å; T44-W47 PolarHBondContact O-N 3.28Å; T44-W47 VanDerWaalsContact O-N 3.14Å; W47-L49 PolarHBondContact O-N 2.94Å; W47-T50 WeakPolarHBondContact O-CB 3.44Å; W47-T50 PolarHBondContact O-N 3.49Å; W47-T50 VanDerWaalsContact O-N 3.16Å; W47-V51 HydrophobicContact CE3-CG2 3.96Å; W47-V51 HydrophobicContact CZ3-CG2 4.29Å; W47-V51 WeakPolarHBondContact O-CG2 3.32Å; W47-V51 PolarHBondContact O-N 2.84Å
48L97.8Very high97.5Very high95 Ų9586 Ų8650%0.49741%0.414SS..Hα-helixtrans-64.2-42.3179.6-176.462.7000111.3F46 T50 V51 L52F46-L48 PolarHBondContact O-N 2.98Å; F46-L48 VanDerWaalsContact O-N 3.07Å; L48-T50 VanDerWaalsContact C-N 3.28Å; L48-T50 PolarHBondContact O-N 3.24Å; L48-V51 PolarHBondContact O-N 2.99Å; L48-L52 VanDerWaalsContact O-CG 3.3Å; L48-L52 WeakPolarHBondContact O-CG 3.48Å; L48-L52 PolarHBondContact O-N 2.85Å
49L97Very high97.5Very high113 Ų11390.6 Ų90.659%0.59244%0.444SS*.Hα-helixtrans-63.1-38.8174.5-63.4177.3000111.1F46 W47 L52 Y53F46-L49 HydrophobicContact CD1-CD1 4.14Å; F46-L49 WeakPolarHBondContact O-CB 3.4Å; F46-L49 PolarHBondContact O-N 3.45Å; W47-L49 PolarHBondContact O-N 2.94Å; L49-L52 PolarHBondContact O-N 3.24Å; L49-Y53 WeakPolarHBondContact O-CB 3.25Å; L49-Y53 PolarHBondContact O-N 3.36Å
50T97.3Very high97.4Very high5 Ų587.4 Ų87.43%0.03143%0.428CS..Hα-helixtrans-66.2-40.1177.7-49.40000112.1F38 L41 L42 F46 W47 L48 Y53 A54F38-T50 HydrophobicContact CD2-CG2 3.61Å; F38-T50 HydrophobicContact CE2-CG2 3.37Å; F38-T50 HydrophobicContact CG-CG2 4.41Å; F38-T50 HydrophobicContact CZ-CG2 4.03Å; L41-T50 HydrophobicContact CB-CG2 4.16Å; L41-T50 VanDerWaalsContact CB-OG1 3.29Å; L41-T50 WeakPolarHBondContact CB-OG1 3.47Å; L42-T50 HydrophobicContact CD2-CG2 3.54Å; L42-T50 HydrophobicContact CG-CG2 3.73Å; F46-T50 PolarHBondContact O-N 3.46Å; F46-T50 VanDerWaalsContact O-N 3.13Å; F46-T50 PolarHBondContact O-OG1 2.85Å; W47-T50 WeakPolarHBondContact O-CB 3.44Å; W47-T50 PolarHBondContact O-N 3.49Å; W47-T50 VanDerWaalsContact O-N 3.16Å; L48-T50 VanDerWaalsContact C-N 3.28Å; L48-T50 PolarHBondContact O-N 3.24Å; T50-Y53 PolarHBondContact O-N 3.48Å; T50-A54 WeakPolarHBondContact O-CB 3.04Å; T50-A54 PolarHBondContact O-N 2.81Å
51V97.9Very high97.2Very high67 Ų6791 Ų9141%0.40643%0.431SS..Hα-helixtrans-66-43174.5170.10000111.2L42 W47 L48 Y53 A54 A55L42-V51 HydrophobicContact CD2-CG2 4.11Å; W47-V51 HydrophobicContact CE3-CG2 3.96Å; W47-V51 HydrophobicContact CZ3-CG2 4.29Å; W47-V51 WeakPolarHBondContact O-CG2 3.32Å; W47-V51 PolarHBondContact O-N 2.84Å; L48-V51 PolarHBondContact O-N 2.99Å; V51-Y53 VanDerWaalsContact C-N 3.33Å; V51-Y53 PolarHBondContact O-N 3.31Å; V51-A54 WeakPolarHBondContact O-CB 3.16Å; V51-A54 PolarHBondContact O-N 3.44Å; V51-A54 VanDerWaalsContact O-N 3.13Å; V51-A55 PolarHBondContact O-N 2.98Å
52L98.1Very high97.1Very high108 Ų10890.8 Ų90.857%0.56543%0.43SS*.Hα-helixtrans-61.2-43.3174.7-70174.3000111.5L48 L49 A54 A55 W56L48-L52 VanDerWaalsContact O-CG 3.3Å; L48-L52 WeakPolarHBondContact O-CG 3.48Å; L48-L52 PolarHBondContact O-N 2.85Å; L49-L52 PolarHBondContact O-N 3.24Å; L52-A54 VanDerWaalsContact C-N 3.34Å; L52-A54 PolarHBondContact O-N 3.29Å; L52-A55 PolarHBondContact O-N 3.36Å; L52-W56 PolarHBondContact O-N 3.01Å
53Y97.7Very high97Very high40 Ų4091.1 Ų91.116%0.15743%0.428CS..Hα-helixtrans-61.5-41.4172.6171-87.6000111.6F38 L49 T50 V51 A55 W56 W57 P149 F150F38-Y53 HydrophobicContact CD2-CD1 4.04Å; F38-Y53 HydrophobicContact CD2-CE1 4.15Å; F38-Y53 AromaticContact CE2-CD1 3.75Å; F38-Y53 HydrophobicContact CE2-CD1 3.75Å; F38-Y53 HydrophobicContact CE2-CE1 4.11Å; L49-Y53 WeakPolarHBondContact O-CB 3.25Å; L49-Y53 PolarHBondContact O-N 3.36Å; T50-Y53 PolarHBondContact O-N 3.48Å; V51-Y53 VanDerWaalsContact C-N 3.33Å; V51-Y53 PolarHBondContact O-N 3.31Å; Y53-A55 PolarHBondContact O-N 2.91Å; Y53-W56 AromaticContact CD2-CE3 3.94Å; Y53-W56 HydrophobicContact CD2-CE3 3.94Å; Y53-W56 HydrophobicContact CD2-CZ3 4.2Å; Y53-W56 AromaticContact CE2-CE3 3.77Å; Y53-W56 HydrophobicContact CE2-CE3 3.77Å; Y53-W56 AromaticContact CE2-CZ3 3.6Å; Y53-W56 HydrophobicContact CE2-CZ3 3.6Å; Y53-W56 PolarHBondContact O-N 3.39Å; Y53-W57 HydrophobicContact CE1-CB 4.22Å; Y53-W57 HydrophobicContact CE1-CE3 4.36Å; Y53-W57 VanDerWaalsContact O-CB 3.25Å; Y53-W57 WeakPolarHBondContact O-CB 3.3Å; Y53-W57 PolarHBondContact O-N 3.34Å; Y53-P149 HydrophobicContact CE1-CB 3.72Å; Y53-P149 WeakPolarHBondContact OH-CA 3.48Å; Y53-F150 AromaticContact CD1-CE1 3.99Å; Y53-F150 HydrophobicContact CD1-CE1 3.99Å; Y53-F150 HydrophobicContact CD1-CZ 4.23Å; Y53-F150 HydrophobicContact CD2-CD1 4.38Å; Y53-F150 AromaticContact CD2-CE1 3.82Å; Y53-F150 HydrophobicContact CD2-CE1 3.82Å; Y53-F150 HydrophobicContact CE1-CD1 4.25Å; Y53-F150 AromaticContact CE1-CE1 3.83Å; Y53-F150 HydrophobicContact CE1-CE1 3.83Å; Y53-F150 HydrophobicContact CE1-CZ 4.18Å; Y53-F150 AromaticContact CE2-CD1 3.74Å; Y53-F150 HydrophobicContact CE2-CD1 3.74Å; Y53-F150 AromaticContact CE2-CE1 3.61Å; Y53-F150 HydrophobicContact CE2-CE1 3.61Å; Y53-F150 HydrophobicContact CG-CE1 4.01Å; Y53-F150 AromaticContact CZ-CD1 3.69Å; Y53-F150 AromaticContact CZ-CE1 3.65Å; Y53-F150 PolarHBondContact OH-N 3.43Å
54A97.6Very high96.9Very high30 Ų3083.1 Ų83.125%0.24839%0.393CS..Hα-helixtrans-64.7-39.1178.100000112.3F38 T50 V51 L52 W57 Y58F38-A54 HydrophobicContact CE2-CB 4.22Å; F38-A54 HydrophobicContact CZ-CB 3.9Å; T50-A54 WeakPolarHBondContact O-CB 3.04Å; T50-A54 PolarHBondContact O-N 2.81Å; V51-A54 WeakPolarHBondContact O-CB 3.16Å; V51-A54 PolarHBondContact O-N 3.44Å; V51-A54 VanDerWaalsContact O-N 3.13Å; L52-A54 VanDerWaalsContact C-N 3.34Å; L52-A54 PolarHBondContact O-N 3.29Å; A54-W57 WeakPolarHBondContact O-CB 3.32Å; A54-W57 PolarHBondContact O-N 3Å; A54-Y58 PolarHBondContact O-N 3.43Å
55A98Very high96.7Very high56 Ų5684.4 Ų84.446%0.46339%0.392SS..Hα-helixtrans-63.5-47173.700000111V51 L52 Y53 W57 Y58 V59V51-A55 PolarHBondContact O-N 2.98Å; L52-A55 PolarHBondContact O-N 3.36Å; Y53-A55 PolarHBondContact O-N 2.91Å; A55-W57 VanDerWaalsContact C-N 3.33Å; A55-W57 PolarHBondContact O-N 3.44Å; A55-Y58 PolarHBondContact O-N 2.92Å; A55-V59 WeakPolarHBondContact O-CG2 3.34Å; A55-V59 PolarHBondContact O-N 3.49Å; A55-V59 VanDerWaalsContact O-N 3.08Å
56W97.5Very high96.6Very high104 Ų10477.5 Ų77.539%0.39437%0.37SS..Hα-helixtrans-59.1-45.2173.5172.277.9000111.6L52 Y53 Y58 V59 D60 R152 D153L52-W56 PolarHBondContact O-N 3.01Å; Y53-W56 AromaticContact CD2-CE3 3.94Å; Y53-W56 HydrophobicContact CD2-CE3 3.94Å; Y53-W56 HydrophobicContact CD2-CZ3 4.2Å; Y53-W56 AromaticContact CE2-CE3 3.77Å; Y53-W56 HydrophobicContact CE2-CE3 3.77Å; Y53-W56 AromaticContact CE2-CZ3 3.6Å; Y53-W56 HydrophobicContact CE2-CZ3 3.6Å; Y53-W56 PolarHBondContact O-N 3.39Å; W56-Y58 VanDerWaalsContact C-N 3.31Å; W56-Y58 PolarHBondContact O-N 3.48Å; W56-V59 PolarHBondContact O-N 2.81Å; W56-D60 HydrophobicContact CD2-CB 4.44Å; W56-D60 HydrophobicContact CZ2-CB 4.29Å; W56-D60 WeakPolarHBondContact O-CB 3.46Å; W56-D60 PolarHBondContact O-N 2.92Å; W56-R152 VanDerWaalsContact CH2-NH2 3.28Å; W56-D153 WeakPolarHBondContact CH2-OD1 3.5Å
57W96.4Very high96.3Very high64 Ų6473.1 Ų73.124%0.24235%0.352CS..Hα-helixtrans-56.2-46177.1176.715.4000111.2F38 Y53 A54 A55 D60 R61 R147 P149F38-W57 HydrophobicContact CE1-CZ3 4.31Å; F38-W57 HydrophobicContact CZ-CE3 4.46Å; F38-W57 HydrophobicContact CZ-CZ3 4.34Å; Y53-W57 HydrophobicContact CE1-CB 4.22Å; Y53-W57 HydrophobicContact CE1-CE3 4.36Å; Y53-W57 VanDerWaalsContact O-CB 3.25Å; Y53-W57 WeakPolarHBondContact O-CB 3.3Å; Y53-W57 PolarHBondContact O-N 3.34Å; A54-W57 WeakPolarHBondContact O-CB 3.32Å; A54-W57 PolarHBondContact O-N 3Å; A55-W57 VanDerWaalsContact C-N 3.33Å; A55-W57 PolarHBondContact O-N 3.44Å; W57-D60 CarbonylContact O-C 3.22Å; W57-D60 PolarHBondContact O-N 3.46Å; W57-R61 PolarHBondContact O-N 3.42Å; W57-R147 WeakPolarHBondContact CH2-O 2.98Å; W57-R147 WeakPolarHBondContact CZ2-O 3.35Å; W57-P149 HydrophobicContact CE3-CB 4.24Å; W57-P149 HydrophobicContact CH2-CB 4.47Å; W57-P149 HydrophobicContact CZ3-CB 4.14Å; W57-P149 HydrophobicContact CZ3-CG 4.41Å
58Y96.4Very high96.1Very high153 Ų15367.2 Ų67.260%0.633%0.334SS*.Hα-helixtrans-61.9-45.6177.6179.9-95.3000112.8A54 A55 W56 D60 R61A54-Y58 PolarHBondContact O-N 3.43Å; A55-Y58 PolarHBondContact O-N 2.92Å; W56-Y58 VanDerWaalsContact C-N 3.31Å; W56-Y58 PolarHBondContact O-N 3.48Å; Y58-D60 PolarHBondContact O-N 3.2Å; Y58-R61 WeakPolarHBondContact O-CB 3.48Å; Y58-R61 WeakPolarHBondContact O-CD 3.49Å; Y58-R61 WeakPolarHBondContact O-CG 3.35Å; Y58-R61 PolarHBondContact O-N 3.26Å; Y58-R61 PolarHBondContact OH-NH1 3.45Å
59V96.9Very high95.8Very high123 Ų12367 Ų6775%0.74533%0.327SS*.Hα-helixtrans-62.7-33.9176173.70000111A55 W56A55-V59 WeakPolarHBondContact O-CG2 3.34Å; A55-V59 PolarHBondContact O-N 3.49Å; A55-V59 VanDerWaalsContact O-N 3.08Å; W56-V59 PolarHBondContact O-N 2.81Å
60D96.3Very high95.7Very high16 Ų1665.2 Ų65.29%0.08631%0.312CS..THydrogen-bonded Turntrans-93.69.4-174.7-168.460.5000114.7W56 W57 Y58 D62 K63 R69 R152W56-D60 HydrophobicContact CD2-CB 4.44Å; W56-D60 HydrophobicContact CZ2-CB 4.29Å; W56-D60 WeakPolarHBondContact O-CB 3.46Å; W56-D60 PolarHBondContact O-N 2.92Å; W57-D60 CarbonylContact O-C 3.22Å; W57-D60 PolarHBondContact O-N 3.46Å; Y58-D60 PolarHBondContact O-N 3.2Å; D60-D62 PolarHBondContact O-N 3.07Å; D60-D62 VanDerWaalsContact O-N 3.13Å; D60-K63 WeakPolarHBondContact O-CB 3.38Å; D60-K63 PolarHBondContact O-N 2.89Å; D60-K63 VanDerWaalsContact O-N 3.11Å; D60-K63 WeakPolarHBondContact OD1-CB 3.3Å; D60-K63 WeakPolarHBondContact OD1-CG 3.46Å; D60-R69 VanDerWaalsContact CG-NH1 3.34Å; D60-R69 VanDerWaalsContact CG-NH2 3.28Å; D60-R69 IonicContact OD1-CZ 2.73Å; D60-R69 IonicContact OD1-NH1 3.58Å; D60-R69 PolarHBondContact OD1-NH1 3.32Å; D60-R69 IonicContact OD1-NH2 3.23Å; D60-R69 PolarHBondContact OD1-NH2 2.81Å; D60-R69 IonicContact OD2-CZ 2.68Å; D60-R69 IonicContact OD2-NH1 3.7Å; D60-R69 PolarHBondContact OD2-NH1 3.27Å; D60-R69 IonicContact OD2-NH2 3.82Å; D60-R69 PolarHBondContact OD2-NH2 3.33Å; D60-R152 IonicContact OD2-CZ 3.45Å; D60-R152 IonicContact OD2-NH1 2.69Å; D60-R152 IonicContact OD2-NH2 3.31Å; D60-R152 PolarHBondContact OD2-NH2 3.18Å; D60-R152 VanDerWaalsContact OD2-NH2 3.11Å
61R94.1Very high95.7Very high128 Ų12867.9 Ų67.948%0.48333%0.328SS..THydrogen-bonded Turntrans-59-29.5-171.868.1-173.8178.6-143.31.5115.1W57 Y58 K63 P64W57-R61 PolarHBondContact O-N 3.42Å; Y58-R61 WeakPolarHBondContact O-CB 3.48Å; Y58-R61 WeakPolarHBondContact O-CD 3.49Å; Y58-R61 WeakPolarHBondContact O-CG 3.35Å; Y58-R61 PolarHBondContact O-N 3.26Å; Y58-R61 PolarHBondContact OH-NH1 3.45Å; R61-K63 VanDerWaalsContact C-N 3.34Å; R61-P64 WeakPolarHBondContact O-CD 3.44Å
62D95.2Very high95.6Very high55 Ų5568.7 Ų68.729%0.29433%0.328SS..THydrogen-bonded Turntrans-87.4-5.2-176.9-70.1-56.4000112.9D60 R65 Q66D60-D62 PolarHBondContact O-N 3.07Å; D60-D62 VanDerWaalsContact O-N 3.13Å; D62-R65 WeakPolarHBondContact O-CB 3.45Å; D62-R65 PolarHBondContact O-N 3.41Å; D62-R65 IonicContact OD1-NH1 3.32Å; D62-R65 PolarHBondContact OD1-NH1 3.01Å; D62-Q66 WeakPolarHBondContact O-CG 3.47Å; D62-Q66 PolarHBondContact O-N 3.01Å; D62-Q66 VanDerWaalsContact O-N 3.15Å
63K95.6Very high95.6Very high71 Ų7167.2 Ų67.231%0.30933%0.331SS..G310 helixtrans-63-37.3-175.7-141.244.4153175.30115.6D60 R61 R65 Q66 G68D60-K63 WeakPolarHBondContact O-CB 3.38Å; D60-K63 PolarHBondContact O-N 2.89Å; D60-K63 VanDerWaalsContact O-N 3.11Å; D60-K63 WeakPolarHBondContact OD1-CB 3.3Å; D60-K63 WeakPolarHBondContact OD1-CG 3.46Å; R61-K63 VanDerWaalsContact C-N 3.34Å; K63-R65 PolarHBondContact O-N 2.89Å; K63-Q66 HydrophobicContact CD-CB 4.17Å; K63-Q66 PolarHBondContact O-N 3.2Å; K63-G68 PolarHBondContact O-N 3.08Å; K63-G68 VanDerWaalsContact O-N 3.09Å
64P94.1Very high95.5Very high3 Ų367.6 Ų67.62%0.01934%0.336CS..G310 helixtrans-54-36.3168.7-29.837.3000114.5R61 F146 M156 T162R61-P64 WeakPolarHBondContact O-CD 3.44Å; P64-F146 HydrophobicContact CB-CB 3.93Å; P64-F146 HydrophobicContact CB-CD1 3.5Å; P64-F146 VanDerWaalsContact CB-CD1 3.5Å; P64-F146 HydrophobicContact CB-CE1 4.13Å; P64-F146 HydrophobicContact CB-CG 3.78Å; P64-F146 HydrophobicContact CG-CB 3.85Å; P64-F146 HydrophobicContact CG-CD1 3.76Å; P64-F146 HydrophobicContact CG-CG 4.11Å; P64-M156 HydrophobicContact CB-SD 4.14Å; P64-M156 HydrophobicContact CG-CE 4.32Å; P64-M156 HydrophobicContact CG-SD 3.66Å; P64-T162 HydrophobicContact CB-CG2 3.42Å; P64-T162 VanDerWaalsContact CB-CG2 3.42Å
65R94.8Very high95.5Very high83 Ų8366.2 Ų66.231%0.31332%0.324SS..G310 helixtrans-78.7-20.4177.1-62.4168.9178.6175.2-13.9112.5D62 K63 G67 T162 E164 S167D62-R65 WeakPolarHBondContact O-CB 3.45Å; D62-R65 PolarHBondContact O-N 3.41Å; D62-R65 IonicContact OD1-NH1 3.32Å; D62-R65 PolarHBondContact OD1-NH1 3.01Å; K63-R65 PolarHBondContact O-N 2.89Å; R65-G67 VanDerWaalsContact C-N 3.27Å; R65-G67 PolarHBondContact O-N 3.43Å; R65-T162 HydrophobicContact CG-CG2 4.25Å; R65-T162 WeakPolarHBondContact CG-OG1 3.22Å; R65-E164 WeakPolarHBondContact CD-OE2 3.28Å; R65-E164 VanDerWaalsContact CG-OE2 3.25Å; R65-E164 WeakPolarHBondContact CG-OE2 3.22Å; R65-E164 IonicContact CZ-OE1 3.75Å; R65-E164 IonicContact CZ-OE2 2.68Å; R65-E164 VanDerWaalsContact NE-CD 3.31Å; R65-E164 IonicContact NE-OE1 2.81Å; R65-E164 PolarHBondContact NE-OE1 3.39Å; R65-E164 IonicContact NE-OE2 3.16Å; R65-E164 PolarHBondContact NE-OE2 2.99Å; R65-E164 IonicContact NH2-OE1 3.16Å; R65-E164 PolarHBondContact NH2-OE1 3.26Å; R65-E164 IonicContact NH2-OE2 3.36Å; R65-S167 VanDerWaalsContact O-CA 3.3Å; R65-S167 WeakPolarHBondContact O-CA 3.41Å
66Q94.8Very high95.5Very high77 Ų7766.6 Ų66.636%0.3632%0.323SS..G310 helixtrans-93.923.2-177.9-65.8173.57.600112.8D62 K63 H170 R174D62-Q66 WeakPolarHBondContact O-CG 3.47Å; D62-Q66 PolarHBondContact O-N 3.01Å; D62-Q66 VanDerWaalsContact O-N 3.15Å; K63-Q66 HydrophobicContact CD-CB 4.17Å; K63-Q66 PolarHBondContact O-N 3.2Å; Q66-H170 VanDerWaalsContact C-NE2 3.27Å; Q66-H170 WeakPolarHBondContact CA-CD2 3.39Å; Q66-H170 WeakPolarHBondContact CA-NE2 3.36Å; Q66-H170 PolarHBondContact O-CD2 2.92Å; Q66-H170 PolarHBondContact O-NE2 3.34Å; Q66-R174 PolarHBondContact O-NH2 3.08Å
67G91.5Very high95.4Very high5 Ų567.8 Ų67.85%0.05233%0.327CS..THydrogen-bonded Turntrans86.317.4178.800000114.9R65R65-G67 VanDerWaalsContact C-N 3.27Å; R65-G67 PolarHBondContact O-N 3.43Å
68G92.9Very high95.5Very high16 Ų1668.3 Ų68.317%0.16534%0.338CS..  trans64.8-160.1170.800000115.3K63K63-G68 PolarHBondContact O-N 3.08Å; K63-G68 VanDerWaalsContact O-N 3.09Å
69R92.6Very high95.5Very high89 Ų8962.5 Ų62.534%0.33632%0.316SS..  trans-133.170.4-179.8-72.7-169.6179.281.34.3111.1D60 V71 M156 S157D60-R69 VanDerWaalsContact CG-NH1 3.34Å; D60-R69 VanDerWaalsContact CG-NH2 3.28Å; D60-R69 IonicContact OD1-CZ 2.73Å; D60-R69 IonicContact OD1-NH1 3.58Å; D60-R69 PolarHBondContact OD1-NH1 3.32Å; D60-R69 IonicContact OD1-NH2 3.23Å; D60-R69 PolarHBondContact OD1-NH2 2.81Å; D60-R69 IonicContact OD2-CZ 2.68Å; D60-R69 IonicContact OD2-NH1 3.7Å; D60-R69 PolarHBondContact OD2-NH1 3.27Å; D60-R69 IonicContact OD2-NH2 3.82Å; D60-R69 PolarHBondContact OD2-NH2 3.33Å; R69-V71 PolarHBondContact O-N 2.79Å; R69-M156 CarbonylContact C-O 3.57Å; R69-S157 VanDerWaalsContact O-CA 3.25Å; R69-S157 WeakPolarHBondContact O-CA 3.18Å
70R94.8Very high95.6Very high77 Ų7756.8 Ų56.829%0.29128%0.281SS..  trans-61.6129.1-179.2-163.6178.873.7173.76.7111.6R75 M156 S157R70-R75 VanDerWaalsContact CD-CD 3.5Å; R70-R75 HydrophobicContact CG-CG 4.39Å; R70-M156 PolarHBondContact N-O 2.73Å; R70-S157 WeakPolarHBondContact CA-O 3.38Å
71V96.9Very high95.6Very high61 Ų6161.7 Ų61.737%0.3730%0.302SS..  trans-116.1113.4178.9179.80000109.3R69 A73 I74 R75 S157R69-V71 PolarHBondContact O-N 2.79Å; V71-A73 VanDerWaalsContact C-N 3.3Å; V71-A73 HydrophobicContact CG1-CB 4.25Å; V71-A73 PolarHBondContact O-N 3Å; V71-I74 HydrophobicContact CB-CB 4.3Å; V71-I74 HydrophobicContact CB-CD1 4.15Å; V71-I74 HydrophobicContact CB-CG1 4.27Å; V71-I74 HydrophobicContact CG1-CB 4.45Å; V71-I74 HydrophobicContact CG1-CD1 4.24Å; V71-I74 HydrophobicContact CG1-CG1 4.1Å; V71-I74 PolarHBondContact O-N 3.18Å; V71-I74 VanDerWaalsContact O-N 3.12Å; V71-R75 PolarHBondContact O-N 3.3Å; V71-R75 VanDerWaalsContact O-N 3.17Å; V71-S157 PolarHBondContact N-O 3.27Å
72Q96.3Very high95.8Very high83 Ų8359 Ų5939%0.38829%0.293SS..Hα-helixtrans-61.6-37.3-174.4-169.66313.100112.8I74 R75 C76Q72-I74 VanDerWaalsContact C-N 3.29Å; Q72-I74 PolarHBondContact O-N 3.24Å; Q72-R75 PolarHBondContact O-N 3.21Å; Q72-R75 VanDerWaalsContact O-N 3.14Å; Q72-R75 VanDerWaalsContact OE1-NH1 3.15Å; Q72-C76 PolarHBondContact NE2-SG 2.92Å; Q72-C76 WeakPolarHBondContact O-CB 3.45Å; Q72-C76 PolarHBondContact O-N 2.95Å; Q72-C76 PolarHBondContact O-SG 2.99Å
73A96.8Very high96Very high78 Ų7856.5 Ų56.565%0.64528%0.279SS*.Hα-helixtrans-59.2-39.8176.700000112.4V71 C76 W77V71-A73 VanDerWaalsContact C-N 3.3Å; V71-A73 HydrophobicContact CG1-CB 4.25Å; V71-A73 PolarHBondContact O-N 3Å; A73-C76 PolarHBondContact O-N 2.99Å; A73-W77 PolarHBondContact O-N 3.25Å
74I96.2Very high96.1Very high48 Ų4855.8 Ų55.825%0.24628%0.276CS..Hα-helixtrans-68.9-40.1176.8-68.2175000110.2V71 Q72 C76 W77 W80 S157V71-I74 HydrophobicContact CB-CB 4.3Å; V71-I74 HydrophobicContact CB-CD1 4.15Å; V71-I74 HydrophobicContact CB-CG1 4.27Å; V71-I74 HydrophobicContact CG1-CB 4.45Å; V71-I74 HydrophobicContact CG1-CD1 4.24Å; V71-I74 HydrophobicContact CG1-CG1 4.1Å; V71-I74 PolarHBondContact O-N 3.18Å; V71-I74 VanDerWaalsContact O-N 3.12Å; Q72-I74 VanDerWaalsContact C-N 3.29Å; Q72-I74 PolarHBondContact O-N 3.24Å; I74-C76 VanDerWaalsContact C-N 3.3Å; I74-C76 PolarHBondContact O-N 2.93Å; I74-W77 WeakPolarHBondContact O-CB 3.43Å; I74-W77 PolarHBondContact O-N 2.84Å; I74-W80 PolarHBondContact O-NE1 3.17Å; I74-S157 WeakPolarHBondContact CD1-OG 3.5Å
75R97.1Very high96.3Very high1 Ų158.3 Ų58.30%0.00429%0.289CS..Hα-helixtrans-66-31.5176.7-60-175.260.2-128.9-0.7113.2R70 V71 Q72 W77 C122 E124R70-R75 VanDerWaalsContact CD-CD 3.5Å; R70-R75 HydrophobicContact CG-CG 4.39Å; V71-R75 PolarHBondContact O-N 3.3Å; V71-R75 VanDerWaalsContact O-N 3.17Å; Q72-R75 PolarHBondContact O-N 3.21Å; Q72-R75 VanDerWaalsContact O-N 3.14Å; Q72-R75 VanDerWaalsContact OE1-NH1 3.15Å; R75-W77 VanDerWaalsContact C-N 3.34Å; R75-C122 WeakPolarHBondContact CD-O 3.2Å; R75-C122 WeakPolarHBondContact CG-O 3.39Å; R75-C122 PolarHBondContact NE-O 3.36Å; R75-E124 HydrophobicContact CB-CG 4.14Å; R75-E124 IonicContact CZ-OE1 3.17Å; R75-E124 IonicContact NH1-OE1 2.72Å; R75-E124 PolarHBondContact NH1-OE1 3.09Å; R75-E124 IonicContact NH2-OE1 3.41Å; R75-E124 PolarHBondContact NH2-OE1 3.36Å; R75-E124 PolarHBondContact O-N 2.78Å
76C97.8Very high96.4Very high64 Ų6454.5 Ų54.543%0.43228%0.275SS..THydrogen-bonded Turntrans-88.95.5176.8-65.20000113.9Q72 A73 I74 T78Q72-C76 PolarHBondContact NE2-SG 2.92Å; Q72-C76 WeakPolarHBondContact O-CB 3.45Å; Q72-C76 PolarHBondContact O-N 2.95Å; Q72-C76 PolarHBondContact O-SG 2.99Å; A73-C76 PolarHBondContact O-N 2.99Å; I74-C76 VanDerWaalsContact C-N 3.3Å; I74-C76 PolarHBondContact O-N 2.93Å; C76-T78 PolarHBondContact O-N 2.83Å
77W96.4Very high96.6Very high128 Ų12850.8 Ų50.849%0.48526%0.258SS..  trans-60.1132.9-174.5-164.18.7000111.5A73 I74 R75 I79 W80A73-W77 PolarHBondContact O-N 3.25Å; I74-W77 WeakPolarHBondContact O-CB 3.43Å; I74-W77 PolarHBondContact O-N 2.84Å; R75-W77 VanDerWaalsContact C-N 3.34Å; W77-I79 HydrophobicContact CB-CG2 4.14Å; W77-I79 HydrophobicContact CD2-CG2 3.64Å; W77-I79 HydrophobicContact CE3-CG2 3.81Å; W77-I79 HydrophobicContact CG-CG2 3.77Å; W77-I79 PolarHBondContact O-N 2.77Å; W77-W80 HydrophobicContact CE3-CZ2 4.17Å; W77-W80 WeakPolarHBondContact O-CB 3.44Å; W77-W80 VanDerWaalsContact O-CD1 3.31Å; W77-W80 PolarHBondContact O-N 2.68Å
78T97.3Very high96.9Very high76 Ų7654.2 Ų54.247%0.46628%0.279SS..Hα-helixtrans-54-29.4-176.2-51.30000113.5C76 W80 K81 Y82C76-T78 PolarHBondContact O-N 2.83Å; T78-W80 PolarHBondContact O-N 3.23Å; T78-K81 WeakPolarHBondContact O-CB 3.21Å; T78-K81 PolarHBondContact O-N 2.77Å; T78-Y82 HydrophobicContact CG2-CD2 4.3Å; T78-Y82 HydrophobicContact CG2-CE2 3.78Å; T78-Y82 PolarHBondContact O-N 3.4Å
79I97.4Very high97.1Very high30 Ų3053.8 Ų53.815%0.15427%0.273CS..Hα-helixtrans-57-33177-163.2160.8000112.5A19 Q22 W77 K81 Y82 M83A19-I79 HydrophobicContact CB-CD1 4.49Å; A19-I79 HydrophobicContact CB-CG1 3.59Å; A19-I79 WeakPolarHBondContact CB-O 3.31Å; Q22-I79 HydrophobicContact CB-CD1 3.87Å; Q22-I79 HydrophobicContact CG-CD1 3.83Å; Q22-I79 VanDerWaalsContact OE1-CD1 3.32Å; W77-I79 HydrophobicContact CB-CG2 4.14Å; W77-I79 HydrophobicContact CD2-CG2 3.64Å; W77-I79 HydrophobicContact CE3-CG2 3.81Å; W77-I79 HydrophobicContact CG-CG2 3.77Å; W77-I79 PolarHBondContact O-N 2.77Å; I79-K81 VanDerWaalsContact C-N 3.32Å; I79-K81 PolarHBondContact O-N 3.43Å; I79-Y82 PolarHBondContact O-N 2.92Å; I79-M83 PolarHBondContact O-N 3.41Å
80W98Very high97.4Very high3 Ų351.7 Ų51.71%0.01127%0.272CS..Hα-helixtrans-70.3-27.8177.4-49.6134.4000113I74 W77 T78 M83 K84 F118 T123 S125I74-W80 PolarHBondContact O-NE1 3.17Å; W77-W80 HydrophobicContact CE3-CZ2 4.17Å; W77-W80 WeakPolarHBondContact O-CB 3.44Å; W77-W80 VanDerWaalsContact O-CD1 3.31Å; W77-W80 PolarHBondContact O-N 2.68Å; T78-W80 PolarHBondContact O-N 3.23Å; W80-M83 HydrophobicContact CE3-SD 4.12Å; W80-M83 HydrophobicContact CZ3-SD 4.39Å; W80-M83 PolarHBondContact O-N 3.16Å; W80-K84 WeakPolarHBondContact O-CB 3.3Å; W80-K84 PolarHBondContact O-N 2.63Å; W80-F118 HydrophobicContact CD2-CE1 4.48Å; W80-F118 HydrophobicContact CE3-CE1 4.04Å; W80-F118 HydrophobicContact CH2-CE1 4.06Å; W80-F118 HydrophobicContact CH2-CZ 4.07Å; W80-F118 HydrophobicContact CZ2-CE1 4.46Å; W80-F118 HydrophobicContact CZ2-CZ 4.27Å; W80-F118 AromaticContact CZ3-CE1 3.84Å; W80-F118 HydrophobicContact CZ3-CE1 3.84Å; W80-F118 HydrophobicContact CZ3-CZ 4.32Å; W80-T123 HydrophobicContact CB-CG2 4.06Å; W80-T123 HydrophobicContact CD2-CG2 3.76Å; W80-T123 HydrophobicContact CE3-CG2 4.37Å; W80-T123 HydrophobicContact CG-CG2 3.58Å; W80-S125 VanDerWaalsContact O-CB 3.22Å; W80-S125 WeakPolarHBondContact O-CB 3.47Å
81K97.9Very high97.5Very high120 Ų12049 Ų4952%0.52226%0.263SS..Hα-helixtrans-65.9-46.6173.4-61.1-178179.1-1800110.3T78 I79 M83 K84 D85T78-K81 WeakPolarHBondContact O-CB 3.21Å; T78-K81 PolarHBondContact O-N 2.77Å; I79-K81 VanDerWaalsContact C-N 3.32Å; I79-K81 PolarHBondContact O-N 3.43Å; K81-M83 VanDerWaalsContact C-N 3.32Å; K81-M83 PolarHBondContact O-N 3.4Å; K81-K84 WeakPolarHBondContact O-CB 3.33Å; K81-K84 PolarHBondContact O-N 3.21Å; K81-K84 VanDerWaalsContact O-N 3.12Å; K81-D85 PolarHBondContact O-N 2.77Å; K81-D85 VanDerWaalsContact O-OD2 3.09Å
82Y98.4Very high97.6Very high72 Ų7248.6 Ų48.628%0.28226%0.26SS..Hα-helixtrans-62.2-36.8174.3-68.8-58.8000112.9E12 L15 Q16 T78 I79 D85 Y86E12-Y82 HydrophobicContact CG-CE1 4.47Å; L15-Y82 HydrophobicContact CB-CD1 3.88Å; L15-Y82 HydrophobicContact CB-CD2 4.32Å; L15-Y82 HydrophobicContact CB-CE1 3.89Å; L15-Y82 HydrophobicContact CB-CE2 4.32Å; L15-Y82 HydrophobicContact CB-CG 4.11Å; L15-Y82 HydrophobicContact CD1-CE1 3.78Å; L15-Y82 HydrophobicContact CD1-CE2 4.03Å; L15-Y82 VanDerWaalsContact CD1-CZ 3.46Å; L15-Y82 WeakPolarHBondContact CD1-OH 3.37Å; Q16-Y82 HydrophobicContact CG-CD1 4.29Å; Q16-Y82 WeakPolarHBondContact CG-O 3.49Å; T78-Y82 HydrophobicContact CG2-CD2 4.3Å; T78-Y82 HydrophobicContact CG2-CE2 3.78Å; T78-Y82 PolarHBondContact O-N 3.4Å; I79-Y82 PolarHBondContact O-N 2.92Å; Y82-D85 PolarHBondContact O-N 2.97Å; Y82-Y86 PolarHBondContact O-N 2.84Å
83M97.9Very high97.7Very high2 Ų247.4 Ų47.41%0.0125%0.254CS..Hα-helixtrans-64-44.9171.8-179179.1172.300111.4A19 V20 F23 I79 W80 K81 D85 Y86 F87 A115 F118A19-M83 HydrophobicContact CB-CB 4.26Å; V20-M83 HydrophobicContact CG2-CG 4.23Å; F23-M83 HydrophobicContact CB-CE 4.36Å; F23-M83 HydrophobicContact CB-SD 4.03Å; F23-M83 HydrophobicContact CD1-CE 3.7Å; F23-M83 HydrophobicContact CD1-SD 4.47Å; F23-M83 HydrophobicContact CD2-CE 3.81Å; F23-M83 HydrophobicContact CD2-SD 4.07Å; F23-M83 HydrophobicContact CE1-CE 3.86Å; F23-M83 HydrophobicContact CE2-CE 3.98Å; F23-M83 HydrophobicContact CG-CE 3.67Å; F23-M83 HydrophobicContact CG-SD 3.93Å; F23-M83 HydrophobicContact CZ-CE 4Å; I79-M83 PolarHBondContact O-N 3.41Å; W80-M83 HydrophobicContact CE3-SD 4.12Å; W80-M83 HydrophobicContact CZ3-SD 4.39Å; W80-M83 PolarHBondContact O-N 3.16Å; K81-M83 VanDerWaalsContact C-N 3.32Å; K81-M83 PolarHBondContact O-N 3.4Å; M83-D85 VanDerWaalsContact C-N 3.31Å; M83-D85 PolarHBondContact O-N 3.37Å; M83-Y86 VanDerWaalsContact O-CB 3.31Å; M83-Y86 WeakPolarHBondContact O-CB 3.4Å; M83-Y86 PolarHBondContact O-N 2.82Å; M83-Y86 VanDerWaalsContact O-N 3.15Å; M83-F87 HydrophobicContact CE-CE2 4.16Å; M83-F87 HydrophobicContact CG-CD2 4.23Å; M83-F87 HydrophobicContact CG-CE2 4.12Å; M83-F87 WeakPolarHBondContact O-CD2 3.45Å; M83-F87 PolarHBondContact O-N 3.04Å; M83-A115 HydrophobicContact CE-CB 4.07Å; M83-F118 HydrophobicContact CE-CD1 4.32Å; M83-F118 HydrophobicContact SD-CD1 4.44Å
84K98.1Very high97.7Very high56 Ų5646.6 Ų46.624%0.24324%0.241CC..Hα-helixtrans-58.3-42.9176.1-170.4-136.477.8-167.50111.7W80 K81 Y86 P88 I89 S125 T126W80-K84 WeakPolarHBondContact O-CB 3.3Å; W80-K84 PolarHBondContact O-N 2.63Å; K81-K84 WeakPolarHBondContact O-CB 3.33Å; K81-K84 PolarHBondContact O-N 3.21Å; K81-K84 VanDerWaalsContact O-N 3.12Å; K84-Y86 VanDerWaalsContact C-N 3.32Å; K84-Y86 PolarHBondContact O-N 2.93Å; K84-P88 CarbonylContact O-C 3.53Å; K84-P88 VanDerWaalsContact O-CA 3.23Å; K84-P88 WeakPolarHBondContact O-CA 3.42Å; K84-P88 VanDerWaalsContact O-N 3.1Å; K84-I89 HydrophobicContact CG-CB 3.8Å; K84-I89 HydrophobicContact CG-CG1 4.44Å; K84-I89 WeakPolarHBondContact CG-O 3.18Å; K84-I89 PolarHBondContact O-N 2.75Å; K84-S125 VanDerWaalsContact CD-O 3.32Å; K84-S125 WeakPolarHBondContact CD-O 3.3Å; K84-T126 HydrophobicContact CD-CG2 4.22Å; K84-T126 HydrophobicContact CG-CG2 3.86Å
85D98.1Very high97.7Very high56 Ų5645.5 Ų45.530%0.29924%0.239SC..Hα-helixtrans-77.8-14.2179.2-60-37.3000113.5Q16 K81 Y82 M83 P88Q16-D85 HydrophobicContact CG-CB 4.33Å; K81-D85 PolarHBondContact O-N 2.77Å; K81-D85 VanDerWaalsContact O-OD2 3.09Å; Y82-D85 PolarHBondContact O-N 2.97Å; M83-D85 VanDerWaalsContact C-N 3.31Å; M83-D85 PolarHBondContact O-N 3.37Å; D85-P88 WeakPolarHBondContact O-CD 3.32Å
86Y98.1Very high97.8Very high2 Ų251.9 Ų51.91%0.00827%0.269CS..Hα-helixtrans-70.6-42.3171-177-85.1000112.2Q16 V20 Y82 M83 K84 P88 R264 I274 P275 R277Q16-Y86 HydrophobicContact CB-CD2 3.96Å; Q16-Y86 WeakPolarHBondContact O-CD2 3.45Å; V20-Y86 HydrophobicContact CB-CD1 4.44Å; V20-Y86 HydrophobicContact CB-CD2 4.32Å; V20-Y86 HydrophobicContact CB-CE1 4.48Å; V20-Y86 HydrophobicContact CB-CE2 4.38Å; V20-Y86 HydrophobicContact CB-CG 4.34Å; V20-Y86 HydrophobicContact CG1-CE1 4.26Å; V20-Y86 HydrophobicContact CG2-CD1 3.52Å; V20-Y86 HydrophobicContact CG2-CD2 3.75Å; V20-Y86 HydrophobicContact CG2-CE1 4.01Å; V20-Y86 HydrophobicContact CG2-CE2 4.22Å; V20-Y86 HydrophobicContact CG2-CG 3.36Å; Y82-Y86 PolarHBondContact O-N 2.84Å; M83-Y86 VanDerWaalsContact O-CB 3.31Å; M83-Y86 WeakPolarHBondContact O-CB 3.4Å; M83-Y86 PolarHBondContact O-N 2.82Å; M83-Y86 VanDerWaalsContact O-N 3.15Å; K84-Y86 VanDerWaalsContact C-N 3.32Å; K84-Y86 PolarHBondContact O-N 2.93Å; Y86-P88 WeakPolarHBondContact O-CD 3.22Å; Y86-R264 PolarHBondContact OH-NE 2.89Å; Y86-R264 PolarHBondContact OH-NH2 2.76Å; Y86-I274 WeakPolarHBondContact OH-CG2 3.23Å; Y86-P275 PolarHBondContact OH-O 3.32Å; Y86-R277 HydrophobicContact CD1-CG 3.99Å; Y86-R277 HydrophobicContact CD2-CG 4.1Å; Y86-R277 HydrophobicContact CE1-CB 4.37Å; Y86-R277 HydrophobicContact CE1-CG 3.53Å; Y86-R277 HydrophobicContact CE2-CG 3.64Å; Y86-R277 VanDerWaalsContact CE2-NE 3.33Å; Y86-R277 HydrophobicContact CG-CG 4.27Å
87F97.8Very high97.8Very high0 Ų049.3 Ų49.30%025%0.251CS..THydrogen-bonded Turntrans-105.417.4-177.6-61.3-73.4000113.9V20 M83 I89 A115 L231 P275 Y276 R278 P279 I280V20-F87 HydrophobicContact CG1-CE2 4.33Å; V20-F87 HydrophobicContact CG1-CZ 4.03Å; V20-F87 HydrophobicContact CG2-CD2 4.32Å; V20-F87 HydrophobicContact CG2-CE2 3.57Å; V20-F87 HydrophobicContact CG2-CZ 4.01Å; M83-F87 HydrophobicContact CE-CE2 4.16Å; M83-F87 HydrophobicContact CG-CD2 4.23Å; M83-F87 HydrophobicContact CG-CE2 4.12Å; M83-F87 WeakPolarHBondContact O-CD2 3.45Å; M83-F87 PolarHBondContact O-N 3.04Å; F87-I89 VanDerWaalsContact C-N 3.28Å; F87-I89 HydrophobicContact CB-CD1 4.1Å; F87-I89 HydrophobicContact CB-CG1 3.57Å; F87-I89 HydrophobicContact CD2-CD1 4.11Å; F87-I89 HydrophobicContact CD2-CG1 4.48Å; F87-I89 HydrophobicContact CG-CG1 4.47Å; F87-I89 PolarHBondContact O-N 2.71Å; F87-I89 VanDerWaalsContact O-N 3.12Å; F87-A115 HydrophobicContact CE2-CB 4.46Å; F87-L231 HydrophobicContact CD1-CD1 4.48Å; F87-L231 HydrophobicContact CD1-CD2 3.67Å; F87-L231 HydrophobicContact CE1-CD1 4.09Å; F87-L231 HydrophobicContact CE1-CD2 3.75Å; F87-L231 HydrophobicContact CE1-CG 4.42Å; F87-P275 HydrophobicContact CE1-CB 3.42Å; F87-P275 VanDerWaalsContact CE1-CB 3.42Å; F87-P275 HydrophobicContact CE1-CG 4.15Å; F87-P275 HydrophobicContact CZ-CB 3.52Å; F87-P275 HydrophobicContact CZ-CG 3.72Å; F87-Y276 WeakPolarHBondContact CE1-O 3.31Å; F87-R278 CarbonylContact C-O 3.49Å; F87-R278 VanDerWaalsContact CA-O 3.29Å; F87-R278 WeakPolarHBondContact CA-O 3.38Å; F87-R278 VanDerWaalsContact O-O 3.05Å; F87-P279 CarbonylContact O-C 3.31Å; F87-P279 WeakPolarHBondContact O-CA 3.19Å; F87-I280 HydrophobicContact CB-CD1 3.82Å; F87-I280 HydrophobicContact CB-CG1 4.11Å; F87-I280 HydrophobicContact CD1-CD1 4.07Å; F87-I280 HydrophobicContact CD2-CD1 4.44Å; F87-I280 HydrophobicContact CG-CD1 3.9Å; F87-I280 PolarHBondContact O-N 2.79Å
88P97.3Very high97.8Very high77 Ų7746.7 Ų46.750%0.525%0.247SC..THydrogen-bonded Turntrans22.561.9-159.8-35.824.4000116.7K84 D85 Y86K84-P88 CarbonylContact O-C 3.53Å; K84-P88 VanDerWaalsContact O-CA 3.23Å; K84-P88 WeakPolarHBondContact O-CA 3.42Å; K84-P88 VanDerWaalsContact O-N 3.1Å; D85-P88 WeakPolarHBondContact O-CD 3.32Å; Y86-P88 WeakPolarHBondContact O-CD 3.22Å
89I98.4Very high97.9Very high7 Ų746 Ų464%0.03624%0.244CC..  trans-72.8131.8-172.8-47.9-177.8000110.9K84 F87 A119 T126 I280K84-I89 HydrophobicContact CG-CB 3.8Å; K84-I89 HydrophobicContact CG-CG1 4.44Å; K84-I89 WeakPolarHBondContact CG-O 3.18Å; K84-I89 PolarHBondContact O-N 2.75Å; F87-I89 VanDerWaalsContact C-N 3.28Å; F87-I89 HydrophobicContact CB-CD1 4.1Å; F87-I89 HydrophobicContact CB-CG1 3.57Å; F87-I89 HydrophobicContact CD2-CD1 4.11Å; F87-I89 HydrophobicContact CD2-CG1 4.48Å; F87-I89 HydrophobicContact CG-CG1 4.47Å; F87-I89 PolarHBondContact O-N 2.71Å; F87-I89 VanDerWaalsContact O-N 3.12Å; I89-A119 HydrophobicContact CD1-CB 3.38Å; I89-A119 HydrophobicContact CG2-CB 4.38Å; I89-T126 HydrophobicContact CB-CG2 4.15Å; I89-T126 HydrophobicContact CG2-CG2 3.86Å; I89-I280 CarbonylContact C-O 3.54Å; I89-I280 VanDerWaalsContact CA-O 3.27Å; I89-I280 WeakPolarHBondContact CA-O 3.43Å; I89-I280 HydrophobicContact CD1-CD1 4.29Å; I89-I280 HydrophobicContact CG1-CB 4.25Å; I89-I280 HydrophobicContact CG1-CD1 4.29Å; I89-I280 HydrophobicContact CG2-CB 4.36Å; I89-I280 HydrophobicContact CG2-CG2 4.47Å
90S98Very high97.9Very high45 Ų4548.2 Ų48.232%0.31526%0.261SS..EExtended strand (participates in β ladder)trans-128.9150.7172.472.90000112.8I280 T281 T282S90-I280 PolarHBondContact N-O 3.06Å; S90-T281 WeakPolarHBondContact OG-CB 3.36Å; S90-T281 WeakPolarHBondContact OG-CG2 3.44Å; S90-T281 PolarHBondContact OG-OG1 3.12Å; S90-T282 PolarHBondContact O-N 3.36Å
91L98.5Very high97.8Very high20 Ų2051.4 Ų51.411%0.10527%0.273CS..EExtended strand (participates in β ladder)trans-121.4117.1178.1-175.461.3000109.3N120 F128 I131 F132 T282 V284L91-N120 HydrophobicContact CD1-CB 4.16Å; L91-N120 HydrophobicContact CD2-CB 4.5Å; L91-F128 HydrophobicContact CD2-CB 4.42Å; L91-F128 HydrophobicContact CD2-CD2 3.76Å; L91-I131 HydrophobicContact CB-CD1 4.02Å; L91-I131 HydrophobicContact CD2-CD1 4.03Å; L91-I131 HydrophobicContact CG-CD1 4.18Å; L91-F132 HydrophobicContact CD2-CE2 4.29Å; L91-T282 CarbonylContact C-O 3.6Å; L91-T282 WeakPolarHBondContact CA-O 3.27Å; L91-T282 HydrophobicContact CD1-CG2 3.99Å; L91-V284 HydrophobicContact CD1-CG2 3.66Å
92V98.3Very high97.9Very high52 Ų5246.6 Ų46.632%0.31525%0.254SS..EExtended strand (participates in β ladder)trans-106.6124.8-177.9-179.40000109.4T281 T282 V283 V284V92-T281 HydrophobicContact CG2-CG2 3.86Å; V92-T282 PolarHBondContact N-O 3.29Å; V92-V283 HydrophobicContact CB-CB 4.48Å; V92-V283 HydrophobicContact CB-CG1 4.31Å; V92-V283 HydrophobicContact CB-CG2 4.2Å; V92-V283 HydrophobicContact CG1-CG1 4.28Å; V92-V284 PolarHBondContact O-N 3.14Å
93K97.3Very high97.9Very high58 Ų5843.4 Ų43.425%0.25224%0.241SC..EExtended strand (participates in β ladder)trans-97.1128.7175.6175.5-178.3-171.3-178.90110.2A95 E96 I131 F132K93-A95 WeakPolarHBondContact CE-O 3.46Å; K93-A95 VanDerWaalsContact CG-O 3.25Å; K93-A95 WeakPolarHBondContact CG-O 3.18Å; K93-E96 VanDerWaalsContact CE-CD 3.43Å; K93-E96 WeakPolarHBondContact CE-OE1 3.24Å; K93-E96 WeakPolarHBondContact CE-OE2 3.27Å; K93-E96 IonicContact NZ-OE1 3.72Å; K93-E96 PolarHBondContact NZ-OE1 2.94Å; K93-E96 IonicContact NZ-OE2 2.66Å; K93-E96 PolarHBondContact NZ-OE2 3.17Å; K93-I131 HydrophobicContact CB-CG2 3.64Å; K93-I131 HydrophobicContact CD-CG2 3.79Å; K93-I131 WeakPolarHBondContact CD-O 3.27Å; K93-I131 WeakPolarHBondContact CE-O 3.41Å; K93-I131 HydrophobicContact CG-CG2 4.26Å; K93-I131 PolarHBondContact NZ-O 3.4Å; K93-F132 HydrophobicContact CB-CE1 4.31Å; K93-F132 HydrophobicContact CB-CZ 3.87Å; K93-F132 HydrophobicContact CD-CD1 4.25Å; K93-F132 HydrophobicContact CD-CE1 3.8Å; K93-F132 HydrophobicContact CD-CZ 4.14Å; K93-F132 HydrophobicContact CG-CE1 3.64Å; K93-F132 HydrophobicContact CG-CZ 3.71Å
94T97.8Very high97.9Very high62 Ų6243.3 Ų43.338%0.3824%0.24SC..  trans-105.8-15.5175.167.80000113.8V283 V284 G285 K286 L315T94-V283 HydrophobicContact CG2-CG1 3.62Å; T94-V284 WeakPolarHBondContact CB-O 3.47Å; T94-V284 WeakPolarHBondContact CG2-O 3.07Å; T94-V284 PolarHBondContact N-O 2.99Å; T94-V284 VanDerWaalsContact N-O 3.15Å; T94-V284 PolarHBondContact OG1-O 2.88Å; T94-G285 VanDerWaalsContact OG1-CA 3.28Å; T94-G285 WeakPolarHBondContact OG1-CA 3.49Å; T94-K286 PolarHBondContact OG1-N 2.92Å; T94-L315 HydrophobicContact CG2-CD1 4.13Å
95A96.9Very high98Very high25 Ų2540.6 Ų40.621%0.20723%0.229CC..SBendtrans-151.8157.1177.500000112K93 K286K93-A95 WeakPolarHBondContact CE-O 3.46Å; K93-A95 VanDerWaalsContact CG-O 3.25Å; K93-A95 WeakPolarHBondContact CG-O 3.18Å; A95-K286 HydrophobicContact CB-CB 4.08Å; A95-K286 HydrophobicContact CB-CG 4Å
96E97.5Very high98Very high135 Ų13538 Ų3863%0.63122%0.215SC*.  trans-68.9147.1168.8-65.5-58137.900111.5K93K93-E96 VanDerWaalsContact CE-CD 3.43Å; K93-E96 WeakPolarHBondContact CE-OE1 3.24Å; K93-E96 WeakPolarHBondContact CE-OE2 3.27Å; K93-E96 IonicContact NZ-OE1 3.72Å; K93-E96 PolarHBondContact NZ-OE1 2.94Å; K93-E96 IonicContact NZ-OE2 2.66Å; K93-E96 PolarHBondContact NZ-OE2 3.17Å
97L98.1Very high98Very high9 Ų937.9 Ų37.95%0.04721%0.214CC..  trans-115.5124.2170.3-61.2-177.7000107.9P99 Y103 F132 I135 L180 V221 P287L97-P99 WeakPolarHBondContact O-CD 3.49Å; L97-Y103 HydrophobicContact CB-CE2 4.09Å; L97-Y103 HydrophobicContact CD2-CD1 4.34Å; L97-Y103 HydrophobicContact CD2-CE1 4.04Å; L97-F132 HydrophobicContact CB-CD1 4.22Å; L97-F132 HydrophobicContact CD1-CD1 3.66Å; L97-F132 HydrophobicContact CD1-CE1 3.83Å; L97-F132 HydrophobicContact CD1-CG 4.35Å; L97-F132 HydrophobicContact CG-CD1 3.78Å; L97-F132 HydrophobicContact CG-CE1 3.86Å; L97-I135 HydrophobicContact CB-CD1 3.9Å; L97-I135 HydrophobicContact CB-CG1 3.92Å; L97-I135 HydrophobicContact CD1-CG1 4.41Å; L97-L180 HydrophobicContact CD1-CD1 4.48Å; L97-V221 HydrophobicContact CD2-CG2 4.06Å; L97-P287 HydrophobicContact CD2-CB 4.34Å; L97-P287 HydrophobicContact CD2-CG 4.08Å
98D97.8Very high98Very high74 Ų7437.9 Ų37.940%0.39621%0.214SC..  trans-72.2116.3179.3175.50.1000110.1S100 R101 Y103D98-S100 PolarHBondContact O-N 3.48Å; D98-S100 VanDerWaalsContact O-N 3.08Å; D98-S100 VanDerWaalsContact OD1-CB 3.26Å; D98-S100 WeakPolarHBondContact OD1-CB 3.43Å; D98-S100 PolarHBondContact OD1-N 2.88Å; D98-S100 PolarHBondContact OD1-OG 2.84Å; D98-S100 PolarHBondContact OD2-OG 3.48Å; D98-R101 HydrophobicContact CB-CG 4.26Å; D98-R101 PolarHBondContact O-N 2.84Å; D98-Y103 PolarHBondContact N-OH 3.13Å; D98-Y103 WeakPolarHBondContact O-CE2 3.24Å; D98-Y103 PolarHBondContact O-OH 3.36Å
99P97.7Very high98Very high62 Ų6234.4 Ų34.440%0.40319%0.192SC..THydrogen-bonded Turntrans-67.6-7.3-178.630.5-36.4000113.9L97 I135 G177 G178L97-P99 WeakPolarHBondContact O-CD 3.49Å; P99-I135 HydrophobicContact CB-CD1 4.3Å; P99-G177 CarbonylContact O-C 3.3Å; P99-G177 VanDerWaalsContact O-C 3.3Å; P99-G178 WeakPolarHBondContact O-CA 3.28Å; P99-G178 PolarHBondContact O-N 3.37Å
100S97.3Very high97.9Very high75 Ų7535.4 Ų35.452%0.52420%0.196SC..THydrogen-bonded Turntrans-77.6-9.4171.681.50000113.4D98 G177D98-S100 PolarHBondContact O-N 3.48Å; D98-S100 VanDerWaalsContact O-N 3.08Å; D98-S100 VanDerWaalsContact OD1-CB 3.26Å; D98-S100 WeakPolarHBondContact OD1-CB 3.43Å; D98-S100 PolarHBondContact OD1-N 2.88Å; D98-S100 PolarHBondContact OD1-OG 2.84Å; D98-S100 PolarHBondContact OD2-OG 3.48Å; S100-G177 WeakPolarHBondContact O-CA 3.22Å
101R97.6Very high97.6Very high70 Ų7033.2 Ų33.226%0.26418%0.181SC..SBendtrans-116.8153.6-173.3-55.5178.970.8-170.16.3112.2D98 Y103 G178 P219 E289D98-R101 HydrophobicContact CB-CG 4.26Å; D98-R101 PolarHBondContact O-N 2.84Å; R101-Y103 HydrophobicContact CB-CE2 3.86Å; R101-Y103 WeakPolarHBondContact O-CE2 3.36Å; R101-G178 PolarHBondContact O-N 2.81Å; R101-P219 VanDerWaalsContact CZ-CG 3.41Å; R101-E289 IonicContact CZ-OE1 3.33Å; R101-E289 IonicContact CZ-OE2 2.62Å; R101-E289 VanDerWaalsContact NH1-CD 3.33Å; R101-E289 IonicContact NH1-OE1 3.6Å; R101-E289 PolarHBondContact NH1-OE1 3.01Å; R101-E289 IonicContact NH1-OE2 3.65Å; R101-E289 PolarHBondContact NH1-OE2 3.12Å; R101-E289 VanDerWaalsContact NH1-OE2 3.11Å; R101-E289 IonicContact NH2-OE1 3.58Å; R101-E289 IonicContact NH2-OE2 3.11Å; R101-E289 PolarHBondContact NH2-OE2 2.66Å
102N98.4Very high97.4Very high20 Ų2032.8 Ų32.811%0.10718%0.179CC..  trans-102.1142.9171.2-63-40.6000109.8L172 R174 G177 G178 N179 P219N102-L172 HydrophobicContact CB-CD2 4.33Å; N102-L172 PolarHBondContact ND2-O 3.02Å; N102-R174 PolarHBondContact ND2-O 3.38Å; N102-G177 VanDerWaalsContact OD1-CA 3.26Å; N102-G177 WeakPolarHBondContact OD1-CA 3.27Å; N102-G178 PolarHBondContact OD1-N 2.59Å; N102-N179 CarbonylContact C-O 3.42Å; N102-N179 VanDerWaalsContact CA-O 3.27Å; N102-N179 WeakPolarHBondContact CA-O 3.22Å; N102-N179 WeakPolarHBondContact OD1-CB 3.38Å; N102-N179 PolarHBondContact OD1-N 3.22Å; N102-N179 PolarHBondContact OD1-ND2 3.04Å; N102-P219 VanDerWaalsContact O-CD 3.29Å; N102-P219 WeakPolarHBondContact O-CD 3.42Å
103Y98.8Very high97.2Very high4 Ų430.7 Ų30.72%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-127.9152.9-170.2-64.8-87000111.4L97 D98 R101 I135 N179 L180 L181 P219 V221 P287L97-Y103 HydrophobicContact CB-CE2 4.09Å; L97-Y103 HydrophobicContact CD2-CD1 4.34Å; L97-Y103 HydrophobicContact CD2-CE1 4.04Å; D98-Y103 PolarHBondContact N-OH 3.13Å; D98-Y103 WeakPolarHBondContact O-CE2 3.24Å; D98-Y103 PolarHBondContact O-OH 3.36Å; R101-Y103 HydrophobicContact CB-CE2 3.86Å; R101-Y103 WeakPolarHBondContact O-CE2 3.36Å; Y103-I135 HydrophobicContact CD2-CD1 4.49Å; Y103-I135 HydrophobicContact CE2-CD1 4.18Å; Y103-N179 PolarHBondContact N-O 3.24Å; Y103-L180 HydrophobicContact CG-CD1 4.28Å; Y103-L181 PolarHBondContact O-N 3.01Å; Y103-P219 HydrophobicContact CD1-CB 3.79Å; Y103-P219 HydrophobicContact CD1-CG 4.1Å; Y103-P219 HydrophobicContact CE1-CB 3.91Å; Y103-P219 HydrophobicContact CE1-CG 3.95Å; Y103-V221 HydrophobicContact CD1-CG2 3.82Å; Y103-V221 HydrophobicContact CG-CG2 4.31Å; Y103-P287 HydrophobicContact CD1-CB 4.35Å; Y103-P287 HydrophobicContact CE1-CB 3.95Å
104I98.8Very high97.1Very high0 Ų028.3 Ų28.30%016%0.157CC..EExtended strand (participates in β ladder)trans-110.2117165.1-62.2177.3000108L172 L181 I183 F209 L212 A213 A218 P219 L220 V221I104-L172 HydrophobicContact CD1-CD1 3.63Å; I104-L172 HydrophobicContact CD1-CD2 4.38Å; I104-L172 HydrophobicContact CG1-CD1 3.84Å; I104-L172 HydrophobicContact CG1-CD2 3.67Å; I104-L172 HydrophobicContact CG1-CG 4.38Å; I104-L181 CarbonylContact C-O 3.57Å; I104-L181 WeakPolarHBondContact CA-O 3.29Å; I104-I183 HydrophobicContact CG2-CD1 3.86Å; I104-I183 HydrophobicContact CG2-CG1 4.27Å; I104-F209 HydrophobicContact CG2-CD2 4.45Å; I104-L212 HydrophobicContact CD1-CB 3.9Å; I104-A213 HydrophobicContact CD1-CB 3.96Å; I104-A218 HydrophobicContact CD1-CB 4.33Å; I104-A218 HydrophobicContact CG1-CB 4.11Å; I104-P219 PolarHBondContact N-O 2.75Å; I104-L220 HydrophobicContact CB-CD2 4.06Å; I104-L220 HydrophobicContact CG2-CD2 4.03Å; I104-L220 CarbonylContact O-C 3.52Å; I104-L220 WeakPolarHBondContact O-CA 3.12Å; I104-V221 PolarHBondContact O-N 2.8Å
105A98.7Very high97.1Very high0 Ų025.4 Ų25.40%014%0.139CC..EExtended strand (participates in β ladder)trans-93.6118.2172.700000110.3L180 L181 G182 I183 V221 I223A105-L180 HydrophobicContact CB-CD1 3.71Å; A105-L180 HydrophobicContact CB-CD2 4.26Å; A105-L180 HydrophobicContact CB-CG 3.95Å; A105-L181 PolarHBondContact N-O 2.8Å; A105-G182 CarbonylContact O-C 3.5Å; A105-G182 WeakPolarHBondContact O-CA 3.31Å; A105-I183 PolarHBondContact O-N 2.89Å; A105-V221 CarbonylContact C-O 3.53Å; A105-V221 VanDerWaalsContact CA-O 3.3Å; A105-V221 WeakPolarHBondContact CA-O 3.46Å; A105-V221 HydrophobicContact CB-CB 4.4Å; A105-I223 HydrophobicContact CB-CD1 3.57Å; A105-I223 HydrophobicContact CB-CG1 4.24Å
106G98.5Very high97.1Very high0 Ų024.2 Ų24.20%013%0.13CC..EExtended strand (participates in β ladder)trans-91.7111.8169.500000109.8H108 I183 V221 I223 Y308G106-H108 PolarHBondContact O-CD2 2.84Å; G106-H108 VanDerWaalsContact O-CD2 3.3Å; G106-I183 WeakPolarHBondContact CA-O 3.43Å; G106-V221 PolarHBondContact N-O 3.07Å; G106-I223 PolarHBondContact O-N 2.84Å; G106-Y308 VanDerWaalsContact CA-OH 3.28Å; G106-Y308 WeakPolarHBondContact CA-OH 3.42Å; G106-Y308 PolarHBondContact O-OH 3.09Å; G106-Y308 VanDerWaalsContact O-OH 3.09Å
107F98.7Very high97.1Very high1 Ų117.8 Ų17.80%0.00410%0.099CC..EExtended strand (participates in β ladder)trans-94.8132.1-178-171.1-76.7000111.1P109 A117 L121 I183 I184 V185 I223 S225 T282F107-P109 WeakPolarHBondContact CD1-O 3.49Å; F107-P109 VanDerWaalsContact CE1-O 3.25Å; F107-P109 WeakPolarHBondContact CE1-O 3.49Å; F107-A117 HydrophobicContact CD1-CB 3.94Å; F107-A117 HydrophobicContact CD2-CB 3.97Å; F107-A117 HydrophobicContact CE1-CB 3.71Å; F107-A117 VanDerWaalsContact CE2-CA 3.47Å; F107-A117 HydrophobicContact CE2-CB 3.72Å; F107-A117 HydrophobicContact CG-CB 4.08Å; F107-A117 HydrophobicContact CZ-CB 3.59Å; F107-A117 VanDerWaalsContact CZ-N 3.28Å; F107-L121 HydrophobicContact CD2-CD1 4.4Å; F107-I183 PolarHBondContact N-O 3.3Å; F107-I184 HydrophobicContact CB-CG1 4.29Å; F107-I184 HydrophobicContact CD1-CG1 4.32Å; F107-I184 HydrophobicContact CD1-CG2 4.43Å; F107-V185 PolarHBondContact O-N 3.22Å; F107-I223 HydrophobicContact CD2-CB 4.28Å; F107-I223 HydrophobicContact CD2-CG2 3.62Å; F107-I223 HydrophobicContact CE2-CG2 3.98Å; F107-I223 HydrophobicContact CG-CG2 4.41Å; F107-S225 VanDerWaalsContact CZ-CB 3.4Å; F107-T282 HydrophobicContact CE2-CG2 3.78Å; F107-T282 HydrophobicContact CZ-CG2 4.49Å
108H98.3Very high97.1Very high0 Ų018.5 Ų18.50%010%0.102CC..EExtended strand (participates in β ladder)trans-140.3147.4-178.8-54.1-89.1000111.6G106 L201 I223 F224 S225 Y308G106-H108 PolarHBondContact O-CD2 2.84Å; G106-H108 VanDerWaalsContact O-CD2 3.3Å; H108-L201 HydrophobicContact CB-CD1 3.88Å; H108-L201 HydrophobicContact CB-CD2 4.08Å; H108-I223 PolarHBondContact CD2-O 3.16Å; H108-I223 PolarHBondContact N-O 3.13Å; H108-F224 HydrophobicContact CB-CD2 4.11Å; H108-F224 CarbonylContact O-C 3.54Å; H108-F224 VanDerWaalsContact O-CA 3.28Å; H108-F224 WeakPolarHBondContact O-CA 3.39Å; H108-S225 PolarHBondContact O-N 2.84Å; H108-Y308 PolarHBondContact CD2-OH 2.86Å; H108-Y308 AromaticContact NE2-CE1 3.63Å; H108-Y308 AromaticContact NE2-CZ 3.64Å; H108-Y308 PolarHBondContact NE2-OH 3.43Å
109P97.3Very high97.1Very high4 Ų415 Ų153%0.0268%0.084CC..  cis-74.8176.2-20.734.8-34.4000110.8F107 L201 S225 E228F107-P109 WeakPolarHBondContact CD1-O 3.49Å; F107-P109 VanDerWaalsContact CE1-O 3.25Å; F107-P109 WeakPolarHBondContact CE1-O 3.49Å; P109-L201 HydrophobicContact CB-CD2 3.66Å; P109-S225 WeakPolarHBondContact CD-O 3.48Å; P109-E228 HydrophobicContact CG-CB 3.95Å; P109-E228 HydrophobicContact CG-CG 4.4Å
110H95Very high97.2Very high27 Ų2712 Ų1213%0.1256%0.064CC..  trans-69.6-37.4174-171.4-69.3000113.1A114 I184 G187 E190H110-A114 WeakPolarHBondContact O-CA 3.46Å; H110-A114 VanDerWaalsContact O-CB 3.27Å; H110-A114 WeakPolarHBondContact O-CB 3.49Å; H110-A114 PolarHBondContact O-N 3.44Å; H110-I184 VanDerWaalsContact CA-CG2 3.43Å; H110-I184 HydrophobicContact CB-CG2 3.45Å; H110-I184 VanDerWaalsContact CB-CG2 3.45Å; H110-I184 WeakPolarHBondContact CD2-CG2 3.32Å; H110-G187 PolarHBondContact CD2-O 2.77Å; H110-G187 VanDerWaalsContact CD2-O 3.25Å; H110-E190 HydrophobicContact CB-CB 4.23Å; H110-E190 HydrophobicContact CB-CG 4.33Å; H110-E190 WeakPolarHBondContact CB-OE2 3.27Å; H110-E190 PolarHBondContact N-OE2 3.38Å
111G93.4Very high97.2Very high0 Ų08.7 Ų8.70%04%0.04CC..THydrogen-bonded Turntrans60.9-171.6-16600000112.4A191 N229G111-A191 WeakPolarHBondContact O-CA 3.17Å; G111-A191 WeakPolarHBondContact O-CB 3.38Å; G111-N229 WeakPolarHBondContact CA-OD1 3.32Å
112V93.2Very high97.2Very high10 Ų105.3 Ų5.36%0.0613%0.028CC..THydrogen-bonded Turntrans-75-47.2178.8177.10000111.6A194 F232 P259 F261V112-A194 HydrophobicContact CG2-CB 3.99Å; V112-F232 HydrophobicContact CB-CD2 3.64Å; V112-F232 HydrophobicContact CB-CE2 4.07Å; V112-F232 HydrophobicContact CB-CG 4.36Å; V112-F232 HydrophobicContact CG1-CD2 4.1Å; V112-F232 HydrophobicContact CG1-CE2 4.26Å; V112-F232 HydrophobicContact CG2-CB 3.98Å; V112-F232 HydrophobicContact CG2-CD2 3.93Å; V112-F232 HydrophobicContact CG2-CG 4.26Å; V112-P259 HydrophobicContact CG1-CG 4.11Å; V112-F261 HydrophobicContact CG1-CB 4.31Å; V112-F261 HydrophobicContact CG1-CD1 3.32Å; V112-F261 HydrophobicContact CG1-CD2 4.13Å; V112-F261 HydrophobicContact CG1-CE1 3.48Å; V112-F261 VanDerWaalsContact CG1-CE1 3.48Å; V112-F261 HydrophobicContact CG1-CE2 4.26Å; V112-F261 HydrophobicContact CG1-CG 3.67Å; V112-F261 HydrophobicContact CG1-CZ 3.95Å; V112-F261 HydrophobicContact CG2-CB 4.44Å
113L93.6Very high97.2Very high8 Ų84.4 Ų4.44%0.0422%0.023CC..THydrogen-bonded Turntrans-118.12.1-175.4-58.4-176000113.9F23 V24 F27 A115 F232 F261F23-L113 HydrophobicContact CE1-CB 4.03Å; F23-L113 HydrophobicContact CE1-CD1 4.19Å; F23-L113 HydrophobicContact CZ-CB 4.33Å; V24-L113 HydrophobicContact CG2-CD1 3.96Å; F27-L113 HydrophobicContact CD1-CD2 3.45Å; F27-L113 VanDerWaalsContact CD1-CD2 3.45Å; F27-L113 HydrophobicContact CD2-CD2 4.5Å; F27-L113 HydrophobicContact CE1-CD2 3.5Å; F27-L113 VanDerWaalsContact CE1-CD2 3.5Å; F27-L113 HydrophobicContact CG-CD2 3.98Å; F27-L113 HydrophobicContact CZ-CD2 4.07Å; L113-A115 VanDerWaalsContact C-N 3.28Å; L113-A115 PolarHBondContact O-N 2.92Å; L113-F232 HydrophobicContact CB-CE2 4.46Å; L113-F232 HydrophobicContact CD1-CE2 3.76Å; L113-F232 HydrophobicContact CD1-CZ 3.57Å; L113-F232 HydrophobicContact CG-CE2 3.79Å; L113-F232 HydrophobicContact CG-CZ 4.06Å; L113-F261 HydrophobicContact CD2-CZ 4.39Å
114A95.4Very high97.2Very high8 Ų85.6 Ų5.67%0.0663%0.028CC..  trans48.846.4-176.600000113.5H110 G116 A117 F118 I184 E228H110-A114 WeakPolarHBondContact O-CA 3.46Å; H110-A114 VanDerWaalsContact O-CB 3.27Å; H110-A114 WeakPolarHBondContact O-CB 3.49Å; H110-A114 PolarHBondContact O-N 3.44Å; A114-G116 VanDerWaalsContact C-N 3.32Å; A114-G116 PolarHBondContact O-N 3.09Å; A114-A117 HydrophobicContact CB-CB 4.02Å; A114-A117 PolarHBondContact O-N 2.86Å; A114-F118 PolarHBondContact O-N 3.21Å; A114-I184 HydrophobicContact CB-CD1 3.54Å; A114-E228 VanDerWaalsContact CA-OE1 3.3Å; A114-E228 WeakPolarHBondContact CA-OE1 3.42Å
115A97.4Very high97.1Very high1 Ų16.4 Ų6.41%0.0083%0.034CC..Hα-helixtrans-61.1-40.1-175.600000111.9F23 M83 F87 L113 A119 E228 L231 I280F23-A115 HydrophobicContact CE1-CB 4.12Å; F23-A115 HydrophobicContact CZ-CB 4.38Å; M83-A115 HydrophobicContact CE-CB 4.07Å; F87-A115 HydrophobicContact CE2-CB 4.46Å; L113-A115 VanDerWaalsContact C-N 3.28Å; L113-A115 PolarHBondContact O-N 2.92Å; A115-A119 VanDerWaalsContact O-CB 3.28Å; A115-A119 WeakPolarHBondContact O-CB 3.28Å; A115-A119 PolarHBondContact O-N 3.4Å; A115-E228 PolarHBondContact N-OE1 2.58Å; A115-L231 HydrophobicContact CB-CD1 3.75Å; A115-I280 HydrophobicContact CB-CD1 4.19Å
116G97.4Very high97Very high0 Ų07.4 Ų7.40%04%0.041CC..Hα-helixtrans-67-41.3176.200000112.2A114 A119 N120 E228A114-G116 VanDerWaalsContact C-N 3.32Å; A114-G116 PolarHBondContact O-N 3.09Å; G116-A119 PolarHBondContact O-N 3.24Å; G116-N120 VanDerWaalsContact O-CB 3.24Å; G116-N120 WeakPolarHBondContact O-CB 3.37Å; G116-N120 PolarHBondContact O-N 3.13Å; G116-N120 PolarHBondContact O-ND2 3.4Å; G116-E228 VanDerWaalsContact CA-OE2 3.23Å; G116-E228 WeakPolarHBondContact CA-OE2 3.48Å; G116-E228 PolarHBondContact N-OE1 2.87Å; G116-E228 PolarHBondContact N-OE2 3.03Å
117A98Very high97Very high0 Ų08.4 Ų8.40%05%0.05CC..Hα-helixtrans-60.8-48.1175.900000111.2F107 A114 L121 L139 I184F107-A117 HydrophobicContact CD1-CB 3.94Å; F107-A117 HydrophobicContact CD2-CB 3.97Å; F107-A117 HydrophobicContact CE1-CB 3.71Å; F107-A117 VanDerWaalsContact CE2-CA 3.47Å; F107-A117 HydrophobicContact CE2-CB 3.72Å; F107-A117 HydrophobicContact CG-CB 4.08Å; F107-A117 HydrophobicContact CZ-CB 3.59Å; F107-A117 VanDerWaalsContact CZ-N 3.28Å; A114-A117 HydrophobicContact CB-CB 4.02Å; A114-A117 PolarHBondContact O-N 2.86Å; A117-L121 VanDerWaalsContact O-CB 3.29Å; A117-L121 WeakPolarHBondContact O-CB 3.47Å; A117-L121 PolarHBondContact O-N 3.18Å; A117-L139 HydrophobicContact CB-CD2 4.19Å; A117-I184 HydrophobicContact CB-CD1 3.99Å; A117-I184 HydrophobicContact CB-CG1 4.31Å
118F98Very high97Very high25 Ų258.4 Ų8.411%0.115%0.05CC..Iπ-helixtrans-63-50.6178.5179.3-95.9000111.7F23 W80 M83 A114 N120 C122 T123 A158 L160F23-F118 AromaticContact CD2-CD1 3.87Å; F23-F118 HydrophobicContact CD2-CD1 3.87Å; F23-F118 AromaticContact CD2-CE1 3.98Å; F23-F118 HydrophobicContact CD2-CE1 3.98Å; F23-F118 HydrophobicContact CD2-CG 4.44Å; F23-F118 HydrophobicContact CE2-CB 4.04Å; F23-F118 AromaticContact CE2-CD1 3.55Å; F23-F118 HydrophobicContact CE2-CD1 3.55Å; F23-F118 HydrophobicContact CE2-CD2 4.34Å; F23-F118 HydrophobicContact CE2-CE1 4.08Å; F23-F118 AromaticContact CE2-CG 3.71Å; F23-F118 HydrophobicContact CE2-CG 3.71Å; F23-F118 HydrophobicContact CZ-CB 4.42Å; W80-F118 HydrophobicContact CD2-CE1 4.48Å; W80-F118 HydrophobicContact CE3-CE1 4.04Å; W80-F118 HydrophobicContact CH2-CE1 4.06Å; W80-F118 HydrophobicContact CH2-CZ 4.07Å; W80-F118 HydrophobicContact CZ2-CE1 4.46Å; W80-F118 HydrophobicContact CZ2-CZ 4.27Å; W80-F118 AromaticContact CZ3-CE1 3.84Å; W80-F118 HydrophobicContact CZ3-CE1 3.84Å; W80-F118 HydrophobicContact CZ3-CZ 4.32Å; M83-F118 HydrophobicContact CE-CD1 4.32Å; M83-F118 HydrophobicContact SD-CD1 4.44Å; A114-F118 PolarHBondContact O-N 3.21Å; F118-N120 VanDerWaalsContact C-N 3.33Å; F118-N120 PolarHBondContact O-N 3.47Å; F118-C122 HydrophobicContact CD2-CB 3.69Å; F118-C122 HydrophobicContact CE2-CB 3.78Å; F118-C122 HydrophobicContact CG-CB 4.25Å; F118-C122 HydrophobicContact CZ-CB 4.41Å; F118-C122 WeakPolarHBondContact O-CA 3.06Å; F118-C122 WeakPolarHBondContact O-CB 3.32Å; F118-C122 PolarHBondContact O-N 3.33Å; F118-T123 HydrophobicContact CD1-CG2 4.14Å; F118-T123 HydrophobicContact CE1-CG2 3.68Å; F118-T123 HydrophobicContact CZ-CG2 4.16Å; F118-T123 PolarHBondContact O-N 3.49Å; F118-A158 HydrophobicContact CE2-CB 4.2Å; F118-A158 HydrophobicContact CZ-CB 4.47Å; F118-L160 HydrophobicContact CD2-CD1 4.34Å; F118-L160 HydrophobicContact CE2-CD1 4.05Å
119A98.2Very high96.9Very high0 Ų010.4 Ų10.40%06%0.064CC..Iπ-helixtrans-59.5-44.6-178.800000111.7I89 A115 G116 T123I89-A119 HydrophobicContact CD1-CB 3.38Å; I89-A119 HydrophobicContact CG2-CB 4.38Å; A115-A119 VanDerWaalsContact O-CB 3.28Å; A115-A119 WeakPolarHBondContact O-CB 3.28Å; A115-A119 PolarHBondContact O-N 3.4Å; G116-A119 PolarHBondContact O-N 3.24Å; A119-T123 PolarHBondContact O-OG1 3.39Å
120N98.4Very high96.9Very high0 Ų015 Ų150%010%0.097CC..Iπ-helixtrans-80-35.8-174.7-71.3-45000114.4L91 G116 F118 T126 F128 T282L91-N120 HydrophobicContact CD1-CB 4.16Å; L91-N120 HydrophobicContact CD2-CB 4.5Å; G116-N120 VanDerWaalsContact O-CB 3.24Å; G116-N120 WeakPolarHBondContact O-CB 3.37Å; G116-N120 PolarHBondContact O-N 3.13Å; G116-N120 PolarHBondContact O-ND2 3.4Å; F118-N120 VanDerWaalsContact C-N 3.33Å; F118-N120 PolarHBondContact O-N 3.47Å; N120-T126 WeakPolarHBondContact OD1-CB 3.49Å; N120-T126 WeakPolarHBondContact OD1-CG2 3.33Å; N120-T126 PolarHBondContact OD1-OG1 3.49Å; N120-F128 WeakPolarHBondContact O-CD2 3.35Å; N120-T282 WeakPolarHBondContact ND2-CB 3.15Å; N120-T282 PolarHBondContact ND2-OG1 3.2Å
121L98.1Very high97.1Very high4 Ų415.8 Ų15.82%0.02110%0.101CC..Iπ-helixtrans-101.7-27.7-174.4-58.7178.6000112.9F107 A117 F128 P137 L139 L180F107-L121 HydrophobicContact CD2-CD1 4.4Å; A117-L121 VanDerWaalsContact O-CB 3.29Å; A117-L121 WeakPolarHBondContact O-CB 3.47Å; A117-L121 PolarHBondContact O-N 3.18Å; L121-F128 HydrophobicContact CD2-CD2 4.19Å; L121-F128 HydrophobicContact CD2-CE2 3.68Å; L121-F128 HydrophobicContact CD2-CZ 4.49Å; L121-P137 HydrophobicContact CB-CB 4.17Å; L121-P137 HydrophobicContact CD2-CB 4.15Å; L121-P137 WeakPolarHBondContact O-CB 3.22Å; L121-P137 WeakPolarHBondContact O-CG 3.32Å; L121-L139 HydrophobicContact CD1-CD1 4.06Å; L121-L180 HydrophobicContact CD2-CD2 4.26Å
122C98.1Very high97.3Very high0 Ų015.9 Ų15.90%010%0.102CC..Iπ-helixtrans-99.2-26.1-176.2-56.20000112.7R75 F118 A158 L160R75-C122 WeakPolarHBondContact CD-O 3.2Å; R75-C122 WeakPolarHBondContact CG-O 3.39Å; R75-C122 PolarHBondContact NE-O 3.36Å; F118-C122 HydrophobicContact CD2-CB 3.69Å; F118-C122 HydrophobicContact CE2-CB 3.78Å; F118-C122 HydrophobicContact CG-CB 4.25Å; F118-C122 HydrophobicContact CZ-CB 4.41Å; F118-C122 WeakPolarHBondContact O-CA 3.06Å; F118-C122 WeakPolarHBondContact O-CB 3.32Å; F118-C122 PolarHBondContact O-N 3.33Å; C122-A158 CarbonylContact C-O 3.53Å; C122-A158 VanDerWaalsContact CA-O 3.22Å; C122-A158 WeakPolarHBondContact CA-O 3.13Å; C122-A158 HydrophobicContact CB-CB 4.17Å; C122-A158 VanDerWaalsContact CB-O 3.3Å; C122-A158 WeakPolarHBondContact CB-O 3.25Å; C122-L160 HydrophobicContact CB-CD1 4.41Å
123T98.1Very high97.5Very high0 Ų019 Ų190%012%0.123CC..  trans-112172.8-177.785.50000112.2W80 F118 A119 S125W80-T123 HydrophobicContact CB-CG2 4.06Å; W80-T123 HydrophobicContact CD2-CG2 3.76Å; W80-T123 HydrophobicContact CE3-CG2 4.37Å; W80-T123 HydrophobicContact CG-CG2 3.58Å; F118-T123 HydrophobicContact CD1-CG2 4.14Å; F118-T123 HydrophobicContact CE1-CG2 3.68Å; F118-T123 HydrophobicContact CZ-CG2 4.16Å; F118-T123 PolarHBondContact O-N 3.49Å; A119-T123 PolarHBondContact O-OG1 3.39Å; T123-S125 WeakPolarHBondContact OG1-CB 3.4Å; T123-S125 PolarHBondContact OG1-N 3.25Å; T123-S125 VanDerWaalsContact OG1-N 3.16Å; T123-S125 PolarHBondContact OG1-OG 3.43Å
124E97.8Very high97.7Very high29 Ų2920.7 Ų20.714%0.13614%0.142CC..SBendtrans-103.314.1169.7-66.2-62.9154.700112.2R75 T126 G127 S129R75-E124 HydrophobicContact CB-CG 4.14Å; R75-E124 IonicContact CZ-OE1 3.17Å; R75-E124 IonicContact NH1-OE1 2.72Å; R75-E124 PolarHBondContact NH1-OE1 3.09Å; R75-E124 IonicContact NH2-OE1 3.41Å; R75-E124 PolarHBondContact NH2-OE1 3.36Å; R75-E124 PolarHBondContact O-N 2.78Å; E124-T126 VanDerWaalsContact C-N 3.27Å; E124-T126 PolarHBondContact O-N 2.67Å; E124-G127 PolarHBondContact O-N 2.85Å; E124-S129 VanDerWaalsContact CD-OG 3.25Å; E124-S129 PolarHBondContact OE1-OG 2.84Å; E124-S129 WeakPolarHBondContact OE2-CB 3.43Å; E124-S129 PolarHBondContact OE2-N 3.13Å; E124-S129 PolarHBondContact OE2-OG 3.09Å
125S97.4Very high97.9Very high18 Ų1820.5 Ų20.513%0.12614%0.14CC..THydrogen-bonded Turntrans-63.2-31.6-175.761.40000113.7W80 K84 T123W80-S125 VanDerWaalsContact O-CB 3.22Å; W80-S125 WeakPolarHBondContact O-CB 3.47Å; K84-S125 VanDerWaalsContact CD-O 3.32Å; K84-S125 WeakPolarHBondContact CD-O 3.3Å; T123-S125 WeakPolarHBondContact OG1-CB 3.4Å; T123-S125 PolarHBondContact OG1-N 3.25Å; T123-S125 VanDerWaalsContact OG1-N 3.16Å; T123-S125 PolarHBondContact OG1-OG 3.43Å
126T97.7Very high97.9Very high21 Ų2126 Ų2613%0.12916%0.16CC..THydrogen-bonded Turntrans-97.76.7174.154.50000113.4K84 I89 N120 E124 I131K84-T126 HydrophobicContact CD-CG2 4.22Å; K84-T126 HydrophobicContact CG-CG2 3.86Å; I89-T126 HydrophobicContact CB-CG2 4.15Å; I89-T126 HydrophobicContact CG2-CG2 3.86Å; N120-T126 WeakPolarHBondContact OD1-CB 3.49Å; N120-T126 WeakPolarHBondContact OD1-CG2 3.33Å; N120-T126 PolarHBondContact OD1-OG1 3.49Å; E124-T126 VanDerWaalsContact C-N 3.27Å; E124-T126 PolarHBondContact O-N 2.67Å; T126-I131 WeakPolarHBondContact O-CD1 3.43Å
127G97.4Very high97.9Very high20 Ų2026 Ų2621%0.20616%0.16CC..  trans71.432.917700000114.4E124 S129 S130 I131E124-G127 PolarHBondContact O-N 2.85Å; G127-S129 VanDerWaalsContact C-N 3.27Å; G127-S129 PolarHBondContact O-N 2.89Å; G127-S129 VanDerWaalsContact O-N 3.16Å; G127-S130 WeakPolarHBondContact O-CA 3.34Å; G127-S130 WeakPolarHBondContact O-CB 3.32Å; G127-S130 PolarHBondContact O-N 3.45Å; G127-I131 PolarHBondContact O-N 3.1Å
128F98.2Very high97.9Very high1 Ų126.3 Ų26.30%0.00416%0.162CC..Hα-helixtrans-45.9-48.7-178.1-176-80.1000112.9L91 N120 L121 S130 I131 F132 I135 P137 L180L91-F128 HydrophobicContact CD2-CB 4.42Å; L91-F128 HydrophobicContact CD2-CD2 3.76Å; N120-F128 WeakPolarHBondContact O-CD2 3.35Å; L121-F128 HydrophobicContact CD2-CD2 4.19Å; L121-F128 HydrophobicContact CD2-CE2 3.68Å; L121-F128 HydrophobicContact CD2-CZ 4.49Å; F128-S130 PolarHBondContact O-N 3.23Å; F128-I131 PolarHBondContact O-N 3.48Å; F128-I131 VanDerWaalsContact O-N 3.15Å; F128-F132 HydrophobicContact CD2-CD2 4.13Å; F128-F132 HydrophobicContact CE1-CB 4.01Å; F128-F132 HydrophobicContact CE1-CD2 4.29Å; F128-F132 AromaticContact CE2-CD2 3.76Å; F128-F132 HydrophobicContact CE2-CD2 3.76Å; F128-F132 HydrophobicContact CE2-CE2 4.25Å; F128-F132 HydrophobicContact CZ-CB 4.2Å; F128-F132 AromaticContact CZ-CD2 3.84Å; F128-F132 HydrophobicContact CZ-CD2 3.84Å; F128-F132 HydrophobicContact CZ-CG 4.28Å; F128-F132 PolarHBondContact O-N 2.91Å; F128-I135 HydrophobicContact CE1-CB 4.21Å; F128-I135 HydrophobicContact CE1-CG2 4.04Å; F128-I135 HydrophobicContact CZ-CG2 4.09Å; F128-P137 HydrophobicContact CD1-CG 3.78Å; F128-P137 HydrophobicContact CE1-CB 4.14Å; F128-P137 VanDerWaalsContact CE1-CD 3.48Å; F128-P137 HydrophobicContact CE1-CG 3.68Å; F128-P137 HydrophobicContact CE2-CB 4.41Å; F128-P137 HydrophobicContact CE2-CG 4.47Å; F128-P137 HydrophobicContact CG-CG 4.27Å; F128-P137 HydrophobicContact CZ-CB 4.02Å; F128-P137 HydrophobicContact CZ-CG 4.04Å; F128-L180 HydrophobicContact CE2-CD2 4.12Å; F128-L180 HydrophobicContact CZ-CD2 3.7Å
129S97.3Very high97.9Very high42 Ų4225.5 Ų25.529%0.29416%0.158SC..Hα-helixtrans-66.5-22.3-177.9-64.70000113.6E124 G127 P133E124-S129 VanDerWaalsContact CD-OG 3.25Å; E124-S129 PolarHBondContact OE1-OG 2.84Å; E124-S129 WeakPolarHBondContact OE2-CB 3.43Å; E124-S129 PolarHBondContact OE2-N 3.13Å; E124-S129 PolarHBondContact OE2-OG 3.09Å; G127-S129 VanDerWaalsContact C-N 3.27Å; G127-S129 PolarHBondContact O-N 2.89Å; G127-S129 VanDerWaalsContact O-N 3.16Å; S129-P133 WeakPolarHBondContact O-CA 3.42Å
130S97.7Very high97.9Very high102 Ų10226.8 Ų26.871%0.71317%0.165SC*.Hα-helixtrans-82.2-36.7174-55.80000111.6G127 F128G127-S130 WeakPolarHBondContact O-CA 3.34Å; G127-S130 WeakPolarHBondContact O-CB 3.32Å; G127-S130 PolarHBondContact O-N 3.45Å; F128-S130 PolarHBondContact O-N 3.23Å
131I98Very high97.7Very high42 Ų4228.1 Ų28.122%0.21517%0.171CC..Hα-helixtrans-73.6-37.9178.7-65.1171.2000111.1L91 K93 T126 G127 F128 P133L91-I131 HydrophobicContact CB-CD1 4.02Å; L91-I131 HydrophobicContact CD2-CD1 4.03Å; L91-I131 HydrophobicContact CG-CD1 4.18Å; K93-I131 HydrophobicContact CB-CG2 3.64Å; K93-I131 HydrophobicContact CD-CG2 3.79Å; K93-I131 WeakPolarHBondContact CD-O 3.27Å; K93-I131 WeakPolarHBondContact CE-O 3.41Å; K93-I131 HydrophobicContact CG-CG2 4.26Å; K93-I131 PolarHBondContact NZ-O 3.4Å; T126-I131 WeakPolarHBondContact O-CD1 3.43Å; G127-I131 PolarHBondContact O-N 3.1Å; F128-I131 PolarHBondContact O-N 3.48Å; F128-I131 VanDerWaalsContact O-N 3.15Å; I131-P133 WeakPolarHBondContact O-CD 3.42Å
132F98.3Very high97.5Very high3 Ų330.4 Ų30.41%0.01318%0.183CC..SBendtrans-12375.2177.7-61.4-76.4000111.3L91 K93 L97 F128 G134 I135 V284L91-F132 HydrophobicContact CD2-CE2 4.29Å; K93-F132 HydrophobicContact CB-CE1 4.31Å; K93-F132 HydrophobicContact CB-CZ 3.87Å; K93-F132 HydrophobicContact CD-CD1 4.25Å; K93-F132 HydrophobicContact CD-CE1 3.8Å; K93-F132 HydrophobicContact CD-CZ 4.14Å; K93-F132 HydrophobicContact CG-CE1 3.64Å; K93-F132 HydrophobicContact CG-CZ 3.71Å; L97-F132 HydrophobicContact CB-CD1 4.22Å; L97-F132 HydrophobicContact CD1-CD1 3.66Å; L97-F132 HydrophobicContact CD1-CE1 3.83Å; L97-F132 HydrophobicContact CD1-CG 4.35Å; L97-F132 HydrophobicContact CG-CD1 3.78Å; L97-F132 HydrophobicContact CG-CE1 3.86Å; F128-F132 HydrophobicContact CD2-CD2 4.13Å; F128-F132 HydrophobicContact CE1-CB 4.01Å; F128-F132 HydrophobicContact CE1-CD2 4.29Å; F128-F132 AromaticContact CE2-CD2 3.76Å; F128-F132 HydrophobicContact CE2-CD2 3.76Å; F128-F132 HydrophobicContact CE2-CE2 4.25Å; F128-F132 HydrophobicContact CZ-CB 4.2Å; F128-F132 AromaticContact CZ-CD2 3.84Å; F128-F132 HydrophobicContact CZ-CD2 3.84Å; F128-F132 HydrophobicContact CZ-CG 4.28Å; F128-F132 PolarHBondContact O-N 2.91Å; F132-G134 PolarHBondContact O-N 3.32Å; F132-I135 HydrophobicContact CB-CB 3.86Å; F132-I135 HydrophobicContact CB-CG1 3.9Å; F132-I135 WeakPolarHBondContact O-CB 3.36Å; F132-I135 PolarHBondContact O-N 3.4Å; F132-I135 VanDerWaalsContact O-N 3.13Å; F132-V284 HydrophobicContact CE1-CG1 4.34Å; F132-V284 HydrophobicContact CE2-CB 4.4Å; F132-V284 HydrophobicContact CE2-CG1 4.44Å; F132-V284 HydrophobicContact CE2-CG2 4.03Å; F132-V284 HydrophobicContact CZ-CB 3.81Å; F132-V284 HydrophobicContact CZ-CG1 3.73Å; F132-V284 HydrophobicContact CZ-CG2 3.96Å
133P97.9Very high97.3Very high76 Ų7631.5 Ų31.549%0.49419%0.19SC..THydrogen-bonded Turntrans-55.9132-179.6-24.834.6000112.2S129 I131 I135S129-P133 WeakPolarHBondContact O-CA 3.42Å; I131-P133 WeakPolarHBondContact O-CD 3.42Å; P133-I135 PolarHBondContact O-N 2.99Å
134G97.3Very high97Very high43 Ų4335 Ų3544%0.44321%0.208SC..THydrogen-bonded Turntrans79.1-8.1179.300000115.4F132F132-G134 PolarHBondContact O-N 3.32Å
135I98.4Very high96.8Very high4 Ų435.5 Ų35.52%0.02121%0.209CC..  trans-87.5134.7176-54.4-59.6000110.9L97 P99 Y103 F128 F132 P133 G178 L180L97-I135 HydrophobicContact CB-CD1 3.9Å; L97-I135 HydrophobicContact CB-CG1 3.92Å; L97-I135 HydrophobicContact CD1-CG1 4.41Å; P99-I135 HydrophobicContact CB-CD1 4.3Å; Y103-I135 HydrophobicContact CD2-CD1 4.49Å; Y103-I135 HydrophobicContact CE2-CD1 4.18Å; F128-I135 HydrophobicContact CE1-CB 4.21Å; F128-I135 HydrophobicContact CE1-CG2 4.04Å; F128-I135 HydrophobicContact CZ-CG2 4.09Å; F132-I135 HydrophobicContact CB-CB 3.86Å; F132-I135 HydrophobicContact CB-CG1 3.9Å; F132-I135 WeakPolarHBondContact O-CB 3.36Å; F132-I135 PolarHBondContact O-N 3.4Å; F132-I135 VanDerWaalsContact O-N 3.13Å; P133-I135 PolarHBondContact O-N 2.99Å; I135-G178 CarbonylContact C-O 3.51Å; I135-G178 WeakPolarHBondContact CA-O 3.5Å; I135-L180 HydrophobicContact CG2-CB 3.6Å; I135-L180 HydrophobicContact CG2-CD2 4.36Å
136R97.7Very high96.7Very high116 Ų11635.1 Ų35.144%0.43821%0.205SC..EExtended strand (participates in β ladder)trans-116.7104-178.3-60.6-176.7-174.287.6-1.6109.1H138 G178 N179 L180R136-H138 PolarHBondContact O-CD2 3.43Å; R136-G178 WeakPolarHBondContact CB-O 3.46Å; R136-G178 PolarHBondContact N-O 3.36Å; R136-N179 WeakPolarHBondContact O-CA 3.4Å; R136-L180 PolarHBondContact O-N 3.02Å
137P97.8Very high96.5Very high1 Ų142 Ų421%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-74.7142.7178.530.4-33.4000110.9L121 F128 L180L121-P137 HydrophobicContact CB-CB 4.17Å; L121-P137 HydrophobicContact CD2-CB 4.15Å; L121-P137 WeakPolarHBondContact O-CB 3.22Å; L121-P137 WeakPolarHBondContact O-CG 3.32Å; F128-P137 HydrophobicContact CD1-CG 3.78Å; F128-P137 HydrophobicContact CE1-CB 4.14Å; F128-P137 VanDerWaalsContact CE1-CD 3.48Å; F128-P137 HydrophobicContact CE1-CG 3.68Å; F128-P137 HydrophobicContact CE2-CB 4.41Å; F128-P137 HydrophobicContact CE2-CG 4.47Å; F128-P137 HydrophobicContact CG-CG 4.27Å; F128-P137 HydrophobicContact CZ-CB 4.02Å; F128-P137 HydrophobicContact CZ-CG 4.04Å; P137-L180 CarbonylContact C-O 3.58Å; P137-L180 WeakPolarHBondContact CA-O 3.48Å
138H98.1Very high96.5Very high6 Ų641.2 Ų41.23%0.02822%0.22CC..EExtended strand (participates in β ladder)trans-132.6121.8169.6-59-91.2000108.1R136 G159 V161 I171 N179 L180 L181 G182R136-H138 PolarHBondContact O-CD2 3.43Å; H138-G159 WeakPolarHBondContact CA-O 3.23Å; H138-V161 HydrophobicContact CB-CG1 4.19Å; H138-V161 HydrophobicContact CB-CG2 4.14Å; H138-I171 HydrophobicContact CB-CD1 3.92Å; H138-N179 PolarHBondContact NE2-OD1 3.14Å; H138-L180 PolarHBondContact N-O 3.38Å; H138-L181 HydrophobicContact CB-CD1 4.35Å; H138-L181 CarbonylContact O-C 3.59Å; H138-G182 PolarHBondContact O-N 3.12Å
139L98.3Very high96.4Very high7 Ų741.4 Ų41.44%0.03722%0.221CC..EExtended strand (participates in β ladder)trans-100.3125.9-178.6-176.260.1000110.6A117 L121 G159 L160 V161 I184A117-L139 HydrophobicContact CB-CD2 4.19Å; L121-L139 HydrophobicContact CD1-CD1 4.06Å; L139-G159 PolarHBondContact N-O 3.39Å; L139-G159 VanDerWaalsContact N-O 3.13Å; L139-L160 HydrophobicContact CB-CG 4.45Å; L139-L160 HydrophobicContact CD2-CD2 4.39Å; L139-L160 CarbonylContact O-C 3.53Å; L139-L160 VanDerWaalsContact O-CA 3.27Å; L139-L160 WeakPolarHBondContact O-CA 3.45Å; L139-V161 PolarHBondContact O-N 2.87Å; L139-I184 HydrophobicContact CD1-CD1 4.33Å; L139-I184 HydrophobicContact CD1-CG1 4.1Å
140M97.6Very high96.4Very high27 Ų2743.2 Ų43.213%0.13322%0.224CC..EExtended strand (participates in β ladder)trans-73.1131.8176.8-69.9178.782.100111V161 A168 L181 G182 I183M140-V161 WeakPolarHBondContact CA-O 3.44Å; M140-V161 HydrophobicContact CG-CG2 4.06Å; M140-A168 HydrophobicContact CE-CB 4.25Å; M140-L181 HydrophobicContact CG-CD1 3.7Å; M140-L181 HydrophobicContact CG-CG 4.26Å; M140-L181 HydrophobicContact SD-CD1 3.92Å; M140-L181 HydrophobicContact SD-CD2 3.86Å; M140-L181 HydrophobicContact SD-CG 3.94Å; M140-G182 PolarHBondContact N-O 3.28Å; M140-I183 HydrophobicContact CG-CG1 4.48Å; M140-I183 HydrophobicContact SD-CD1 3.72Å; M140-I183 HydrophobicContact SD-CG1 3.59Å; M140-I183 VanDerWaalsContact SD-CG1 3.59Å
141M95Very high96.3Very high28 Ų2838.6 Ų38.614%0.13819%0.191CC..EExtended strand (participates in β ladder)trans-130.9153175.8-171.7-172-161.800109.9T143 W145 F146 I155 L160 V161 T162 S163M141-T143 PolarHBondContact O-N 3.5Å; M141-W145 HydrophobicContact CE-CB 4.22Å; M141-W145 HydrophobicContact CE-CD2 4.34Å; M141-W145 HydrophobicContact CE-CG 3.74Å; M141-W145 HydrophobicContact SD-CB 4.07Å; M141-W145 HydrophobicContact SD-CG 4.17Å; M141-F146 HydrophobicContact CB-CE2 3.98Å; M141-F146 HydrophobicContact CB-CZ 4.34Å; M141-I155 HydrophobicContact SD-CD1 3.86Å; M141-L160 HydrophobicContact CB-CB 4.49Å; M141-L160 HydrophobicContact CB-CD2 3.8Å; M141-L160 HydrophobicContact CG-CD2 4.18Å; M141-L160 HydrophobicContact SD-CD2 3.8Å; M141-V161 PolarHBondContact N-O 3.48Å; M141-T162 CarbonylContact O-C 3.58Å; M141-S163 WeakPolarHBondContact O-CB 3.29Å; M141-S163 PolarHBondContact O-N 3.12Å
142L93.1Very high96.3Very high52 Ų5236.6 Ų36.627%0.27218%0.181SC..  trans-49.3125.6177.9179.768.1000111.8L144 W145 I256L142-L144 HydrophobicContact CD2-CB 4.1Å; L142-L144 HydrophobicContact CG-CB 4.09Å; L142-L144 PolarHBondContact O-N 3.42Å; L142-W145 PolarHBondContact O-N 2.95Å; L142-W145 VanDerWaalsContact O-N 3.17Å; L142-I256 HydrophobicContact CD2-CD1 4.34Å; L142-I256 HydrophobicContact CD2-CG1 3.45Å; L142-I256 VanDerWaalsContact CD2-CG1 3.45Å
143T93.8Very high96.2Very high23 Ų2338.3 Ų38.314%0.14119%0.19CC..G310 helixtrans-53.5-31.3-175.9-52.60000114.2M141 W145 F146 T162 E164M141-T143 PolarHBondContact O-N 3.5Å; T143-W145 PolarHBondContact O-N 3.26Å; T143-F146 PolarHBondContact O-N 3.21Å; T143-F146 VanDerWaalsContact O-N 3.09Å; T143-T162 HydrophobicContact CG2-CG2 4.12Å; T143-E164 HydrophobicContact CG2-CG 4.33Å; T143-E164 WeakPolarHBondContact OG1-CG 3.33Å
144L92.4Very high96.1Very high74 Ų7437.2 Ų37.239%0.38718%0.177SC..G310 helixtrans-54.6-39.7-179.5-178.561.5000112.4L142 F146 R147 I256L142-L144 HydrophobicContact CD2-CB 4.1Å; L142-L144 HydrophobicContact CG-CB 4.09Å; L142-L144 PolarHBondContact O-N 3.42Å; L144-F146 PolarHBondContact O-N 2.98Å; L144-R147 WeakPolarHBondContact O-CB 3.12Å; L144-R147 PolarHBondContact O-N 3.15Å; L144-I256 HydrophobicContact CD2-CD1 3.55Å; L144-I256 HydrophobicContact CD2-CG1 4.35Å
145W93.3Very high96.1Very high40 Ų4035.6 Ų35.615%0.15216%0.158CC..G310 helixtrans-63.8-27.9-179-67.2120.3000113.5A31 M141 L142 T143 R147 A148 F151 I155A31-W145 HydrophobicContact CB-CE3 3.59Å; A31-W145 HydrophobicContact CB-CZ3 3.41Å; A31-W145 VanDerWaalsContact CB-CZ3 3.41Å; M141-W145 HydrophobicContact CE-CB 4.22Å; M141-W145 HydrophobicContact CE-CD2 4.34Å; M141-W145 HydrophobicContact CE-CG 3.74Å; M141-W145 HydrophobicContact SD-CB 4.07Å; M141-W145 HydrophobicContact SD-CG 4.17Å; L142-W145 PolarHBondContact O-N 2.95Å; L142-W145 VanDerWaalsContact O-N 3.17Å; T143-W145 PolarHBondContact O-N 3.26Å; W145-R147 PolarHBondContact O-N 3.38Å; W145-A148 PolarHBondContact O-N 2.98Å; W145-F151 HydrophobicContact CB-CD1 4.41Å; W145-F151 HydrophobicContact CB-CE1 3.93Å; W145-F151 HydrophobicContact CD2-CE1 4.1Å; W145-F151 HydrophobicContact CE3-CD1 4.3Å; W145-F151 AromaticContact CE3-CE1 3.76Å; W145-F151 HydrophobicContact CE3-CE1 3.76Å; W145-F151 HydrophobicContact CG-CE1 4.22Å; W145-I155 HydrophobicContact CB-CD1 3.96Å
146F95.7Very high96.1Very high9 Ų935.4 Ų35.44%0.03916%0.157CC..G310 helixtrans-77.8-4176.8-63.3-88.5000113.4P64 M141 T143 L144 R152 I155 M156 L160 V161 T162P64-F146 HydrophobicContact CB-CB 3.93Å; P64-F146 HydrophobicContact CB-CD1 3.5Å; P64-F146 VanDerWaalsContact CB-CD1 3.5Å; P64-F146 HydrophobicContact CB-CE1 4.13Å; P64-F146 HydrophobicContact CB-CG 3.78Å; P64-F146 HydrophobicContact CG-CB 3.85Å; P64-F146 HydrophobicContact CG-CD1 3.76Å; P64-F146 HydrophobicContact CG-CG 4.11Å; M141-F146 HydrophobicContact CB-CE2 3.98Å; M141-F146 HydrophobicContact CB-CZ 4.34Å; T143-F146 PolarHBondContact O-N 3.21Å; T143-F146 VanDerWaalsContact O-N 3.09Å; L144-F146 PolarHBondContact O-N 2.98Å; F146-R152 HydrophobicContact CB-CB 4.47Å; F146-R152 WeakPolarHBondContact O-CB 3.38Å; F146-R152 WeakPolarHBondContact O-CD 3.33Å; F146-I155 HydrophobicContact CD1-CD1 3.73Å; F146-I155 HydrophobicContact CD1-CG1 4.06Å; F146-I155 HydrophobicContact CD2-CD1 4.18Å; F146-I155 HydrophobicContact CE1-CD1 3.59Å; F146-I155 HydrophobicContact CE1-CG1 3.73Å; F146-I155 HydrophobicContact CE2-CD1 4.05Å; F146-I155 HydrophobicContact CG-CD1 4.05Å; F146-I155 HydrophobicContact CZ-CD1 3.76Å; F146-I155 HydrophobicContact CZ-CG1 4.22Å; F146-M156 HydrophobicContact CD1-CG 3.93Å; F146-M156 HydrophobicContact CE1-CG 3.68Å; F146-L160 HydrophobicContact CZ-CB 4.06Å; F146-V161 WeakPolarHBondContact CE2-O 3.33Å; F146-V161 WeakPolarHBondContact CZ-O 3.25Å; F146-T162 HydrophobicContact CB-CG2 4.17Å; F146-T162 HydrophobicContact CD1-CG2 4.48Å; F146-T162 HydrophobicContact CD2-CG2 3.61Å; F146-T162 HydrophobicContact CE2-CG2 4.04Å; F146-T162 HydrophobicContact CG-CG2 3.84Å
147R94.3Very high96.1Very high166 Ų16630.1 Ų30.163%0.62614%0.138SC*.G310 helixtrans-92.7-5.6171-56.6-177.9178.3174.2-0.6112.8W57 L144 W145W57-R147 WeakPolarHBondContact CH2-O 2.98Å; W57-R147 WeakPolarHBondContact CZ2-O 3.35Å; L144-R147 WeakPolarHBondContact O-CB 3.12Å; L144-R147 PolarHBondContact O-N 3.15Å; W145-R147 PolarHBondContact O-N 3.38Å
148A96.1Very high96Very high4 Ų430.3 Ų30.33%0.03314%0.14CC..SBendtrans-81.5122.317300000109.6A31 I35 W145 F151 R152A31-A148 HydrophobicContact CB-CB 4.05Å; I35-A148 HydrophobicContact CD1-CB 4.08Å; I35-A148 HydrophobicContact CG1-CB 4.08Å; W145-A148 PolarHBondContact O-N 2.98Å; A148-F151 HydrophobicContact CB-CB 3.89Å; A148-F151 HydrophobicContact CB-CD1 4.12Å; A148-F151 HydrophobicContact CB-CG 4.45Å; A148-R152 WeakPolarHBondContact O-CB 3.34Å; A148-R152 PolarHBondContact O-N 3.19Å
149P96.6Very high95.9Very high4 Ų430.2 Ų30.23%0.02614%0.14CC..THydrogen-bonded Turntrans-60.9149.3178.528-34.8000110C34 F38 Y53 W57 F151C34-P149 WeakPolarHBondContact CB-O 3.44Å; F38-P149 HydrophobicContact CB-CB 4.15Å; F38-P149 HydrophobicContact CB-CG 3.49Å; F38-P149 VanDerWaalsContact CB-CG 3.49Å; F38-P149 HydrophobicContact CD1-CG 4.1Å; F38-P149 HydrophobicContact CD2-CB 4.04Å; F38-P149 HydrophobicContact CD2-CG 4.2Å; F38-P149 HydrophobicContact CG-CB 4.03Å; F38-P149 HydrophobicContact CG-CG 3.66Å; Y53-P149 HydrophobicContact CE1-CB 3.72Å; Y53-P149 WeakPolarHBondContact OH-CA 3.48Å; W57-P149 HydrophobicContact CE3-CB 4.24Å; W57-P149 HydrophobicContact CH2-CB 4.47Å; W57-P149 HydrophobicContact CZ3-CB 4.14Å; W57-P149 HydrophobicContact CZ3-CG 4.41Å; P149-F151 PolarHBondContact O-N 2.88Å
150F96.4Very high95.9Very high80 Ų8030.5 Ų30.535%0.35114%0.141SC..THydrogen-bonded Turntrans62.9-47.7-175.4-42.6-60.1000115C34 F38 L41 Y53 R152 D153 Y154C34-F150 HydrophobicContact CB-CB 4.3Å; C34-F150 HydrophobicContact CB-CD2 4.27Å; F38-F150 HydrophobicContact CB-CE2 3.83Å; F38-F150 HydrophobicContact CD2-CE2 4.18Å; F38-F150 HydrophobicContact CD2-CZ 4.15Å; L41-F150 HydrophobicContact CD1-CE2 4.49Å; L41-F150 HydrophobicContact CD1-CZ 4.38Å; Y53-F150 AromaticContact CD1-CE1 3.99Å; Y53-F150 HydrophobicContact CD1-CE1 3.99Å; Y53-F150 HydrophobicContact CD1-CZ 4.23Å; Y53-F150 HydrophobicContact CD2-CD1 4.38Å; Y53-F150 AromaticContact CD2-CE1 3.82Å; Y53-F150 HydrophobicContact CD2-CE1 3.82Å; Y53-F150 HydrophobicContact CE1-CD1 4.25Å; Y53-F150 AromaticContact CE1-CE1 3.83Å; Y53-F150 HydrophobicContact CE1-CE1 3.83Å; Y53-F150 HydrophobicContact CE1-CZ 4.18Å; Y53-F150 AromaticContact CE2-CD1 3.74Å; Y53-F150 HydrophobicContact CE2-CD1 3.74Å; Y53-F150 AromaticContact CE2-CE1 3.61Å; Y53-F150 HydrophobicContact CE2-CE1 3.61Å; Y53-F150 HydrophobicContact CG-CE1 4.01Å; Y53-F150 AromaticContact CZ-CD1 3.69Å; Y53-F150 AromaticContact CZ-CE1 3.65Å; Y53-F150 PolarHBondContact OH-N 3.43Å; F150-R152 VanDerWaalsContact C-N 3.34Å; F150-R152 PolarHBondContact O-N 3.04Å; F150-D153 PolarHBondContact O-N 3.01Å; F150-D153 VanDerWaalsContact O-N 3.15Å; F150-Y154 PolarHBondContact O-N 3.34Å; F150-Y154 VanDerWaalsContact O-N 3.13Å
151F97.6Very high95.9Very high5 Ų529.2 Ų29.22%0.02214%0.135CC..Hα-helixtrans-60.7-42.1177.7-177.2-113.6000112.2S26 L30 A31 C34 W145 A148 P149 D153 Y154 I155S26-F151 VanDerWaalsContact O-CE2 3.24Å; S26-F151 WeakPolarHBondContact O-CE2 3.33Å; L30-F151 HydrophobicContact CB-CD2 4.17Å; L30-F151 HydrophobicContact CB-CE2 4.19Å; L30-F151 HydrophobicContact CD2-CD2 3.82Å; L30-F151 HydrophobicContact CD2-CE2 4.03Å; L30-F151 HydrophobicContact CG-CD2 3.79Å; L30-F151 HydrophobicContact CG-CE2 4.21Å; A31-F151 HydrophobicContact CB-CB 4.29Å; A31-F151 HydrophobicContact CB-CD1 3.55Å; A31-F151 HydrophobicContact CB-CD2 4.3Å; A31-F151 HydrophobicContact CB-CE1 3.82Å; A31-F151 HydrophobicContact CB-CG 3.79Å; A31-F151 HydrophobicContact CB-CZ 4.31Å; C34-F151 HydrophobicContact CB-CB 4.28Å; W145-F151 HydrophobicContact CB-CD1 4.41Å; W145-F151 HydrophobicContact CB-CE1 3.93Å; W145-F151 HydrophobicContact CD2-CE1 4.1Å; W145-F151 HydrophobicContact CE3-CD1 4.3Å; W145-F151 AromaticContact CE3-CE1 3.76Å; W145-F151 HydrophobicContact CE3-CE1 3.76Å; W145-F151 HydrophobicContact CG-CE1 4.22Å; A148-F151 HydrophobicContact CB-CB 3.89Å; A148-F151 HydrophobicContact CB-CD1 4.12Å; A148-F151 HydrophobicContact CB-CG 4.45Å; P149-F151 PolarHBondContact O-N 2.88Å; F151-D153 PolarHBondContact O-N 3.39Å; F151-Y154 HydrophobicContact CD2-CD1 4.16Å; F151-Y154 HydrophobicContact CE2-CD1 4.11Å; F151-Y154 WeakPolarHBondContact O-CB 3.47Å; F151-Y154 PolarHBondContact O-N 2.72Å; F151-Y154 VanDerWaalsContact O-N 3.14Å; F151-I155 HydrophobicContact CD1-CD1 4.32Å; F151-I155 HydrophobicContact CD1-CG2 4.3Å; F151-I155 HydrophobicContact CD2-CG2 4.25Å; F151-I155 HydrophobicContact CE1-CD1 4.14Å; F151-I155 HydrophobicContact CE1-CG2 3.81Å; F151-I155 HydrophobicContact CE2-CG2 3.73Å; F151-I155 HydrophobicContact CZ-CG2 3.51Å; F151-I155 WeakPolarHBondContact O-CG1 3.4Å; F151-I155 PolarHBondContact O-N 2.91Å
152R96.4Very high96Very high1 Ų128 Ų280%0.00413%0.129CC..Hα-helixtrans-53.1-39.3174.872.9-173.8-163128.54.2112.4W56 D60 F146 A148 F150 I155 M156W56-R152 VanDerWaalsContact CH2-NH2 3.28Å; D60-R152 IonicContact OD2-CZ 3.45Å; D60-R152 IonicContact OD2-NH1 2.69Å; D60-R152 IonicContact OD2-NH2 3.31Å; D60-R152 PolarHBondContact OD2-NH2 3.18Å; D60-R152 VanDerWaalsContact OD2-NH2 3.11Å; F146-R152 HydrophobicContact CB-CB 4.47Å; F146-R152 WeakPolarHBondContact O-CB 3.38Å; F146-R152 WeakPolarHBondContact O-CD 3.33Å; A148-R152 WeakPolarHBondContact O-CB 3.34Å; A148-R152 PolarHBondContact O-N 3.19Å; F150-R152 VanDerWaalsContact C-N 3.34Å; F150-R152 PolarHBondContact O-N 3.04Å; R152-I155 VanDerWaalsContact O-CG1 3.3Å; R152-I155 WeakPolarHBondContact O-CG1 3.28Å; R152-M156 HydrophobicContact CG-CE 4.27Å; R152-M156 VanDerWaalsContact O-CB 3.28Å; R152-M156 WeakPolarHBondContact O-CB 3.23Å; R152-M156 WeakPolarHBondContact O-CE 3.35Å; R152-M156 WeakPolarHBondContact O-CG 3.49Å; R152-M156 PolarHBondContact O-N 2.77Å
153D96.2Very high96.1Very high38 Ų3828.2 Ų28.220%0.20314%0.135CC..Hα-helixtrans-76.1-38-177.2-65.8-67.9000110.4W56 F150 F151 M156 S157W56-D153 WeakPolarHBondContact CH2-OD1 3.5Å; F150-D153 PolarHBondContact O-N 3.01Å; F150-D153 VanDerWaalsContact O-N 3.15Å; F151-D153 PolarHBondContact O-N 3.39Å; D153-M156 VanDerWaalsContact OD1-CE 3.3Å; D153-M156 WeakPolarHBondContact OD1-CE 3.45Å; D153-S157 WeakPolarHBondContact O-CB 3.3Å; D153-S157 PolarHBondContact O-N 2.91Å
154Y96.9Very high96.1Very high53 Ų5328.8 Ų28.821%0.20814%0.136CC..Hα-helixtrans-59-51.2171.1174.1-110.6000112.1Q22 S26 L30 F150 F151 S157Q22-Y154 PolarHBondContact NE2-OH 2.95Å; S26-Y154 PolarHBondContact OG-OH 3.5Å; L30-Y154 HydrophobicContact CD2-CD1 3.82Å; L30-Y154 HydrophobicContact CD2-CE1 3.93Å; L30-Y154 HydrophobicContact CD2-CG 4.49Å; F150-Y154 PolarHBondContact O-N 3.34Å; F150-Y154 VanDerWaalsContact O-N 3.13Å; F151-Y154 HydrophobicContact CD2-CD1 4.16Å; F151-Y154 HydrophobicContact CE2-CD1 4.11Å; F151-Y154 WeakPolarHBondContact O-CB 3.47Å; F151-Y154 PolarHBondContact O-N 2.72Å; F151-Y154 VanDerWaalsContact O-N 3.14Å; Y154-S157 WeakPolarHBondContact O-CB 3.17Å; Y154-S157 PolarHBondContact O-N 3.4Å; Y154-S157 PolarHBondContact O-OG 3.36Å
155I97.2Very high96.2Very high9 Ų932.9 Ų32.95%0.04615%0.151CC..Hα-helixtrans-69.5-37.8-179.764.4179.4000112.5M141 W145 F146 F151 R152 S157 A158 L160M141-I155 HydrophobicContact SD-CD1 3.86Å; W145-I155 HydrophobicContact CB-CD1 3.96Å; F146-I155 HydrophobicContact CD1-CD1 3.73Å; F146-I155 HydrophobicContact CD1-CG1 4.06Å; F146-I155 HydrophobicContact CD2-CD1 4.18Å; F146-I155 HydrophobicContact CE1-CD1 3.59Å; F146-I155 HydrophobicContact CE1-CG1 3.73Å; F146-I155 HydrophobicContact CE2-CD1 4.05Å; F146-I155 HydrophobicContact CG-CD1 4.05Å; F146-I155 HydrophobicContact CZ-CD1 3.76Å; F146-I155 HydrophobicContact CZ-CG1 4.22Å; F151-I155 HydrophobicContact CD1-CD1 4.32Å; F151-I155 HydrophobicContact CD1-CG2 4.3Å; F151-I155 HydrophobicContact CD2-CG2 4.25Å; F151-I155 HydrophobicContact CE1-CD1 4.14Å; F151-I155 HydrophobicContact CE1-CG2 3.81Å; F151-I155 HydrophobicContact CE2-CG2 3.73Å; F151-I155 HydrophobicContact CZ-CG2 3.51Å; F151-I155 WeakPolarHBondContact O-CG1 3.4Å; F151-I155 PolarHBondContact O-N 2.91Å; R152-I155 VanDerWaalsContact O-CG1 3.3Å; R152-I155 WeakPolarHBondContact O-CG1 3.28Å; I155-S157 PolarHBondContact O-N 2.97Å; I155-A158 PolarHBondContact O-N 3.2Å; I155-L160 HydrophobicContact CB-CB 4.36Å; I155-L160 HydrophobicContact CB-CD1 4.19Å; I155-L160 WeakPolarHBondContact O-CD1 3.22Å; I155-L160 PolarHBondContact O-N 3.21Å
156M97.5Very high96.3Very high0 Ų036.6 Ų36.60%017%0.17CC..Hα-helixtrans-61.7-34173.9-80.6-169.7-65.100112P64 R69 R70 F146 R152 D153 A158 G159P64-M156 HydrophobicContact CB-SD 4.14Å; P64-M156 HydrophobicContact CG-CE 4.32Å; P64-M156 HydrophobicContact CG-SD 3.66Å; R69-M156 CarbonylContact C-O 3.57Å; R70-M156 PolarHBondContact N-O 2.73Å; F146-M156 HydrophobicContact CD1-CG 3.93Å; F146-M156 HydrophobicContact CE1-CG 3.68Å; R152-M156 HydrophobicContact CG-CE 4.27Å; R152-M156 VanDerWaalsContact O-CB 3.28Å; R152-M156 WeakPolarHBondContact O-CB 3.23Å; R152-M156 WeakPolarHBondContact O-CE 3.35Å; R152-M156 WeakPolarHBondContact O-CG 3.49Å; R152-M156 PolarHBondContact O-N 2.77Å; D153-M156 VanDerWaalsContact OD1-CE 3.3Å; D153-M156 WeakPolarHBondContact OD1-CE 3.45Å; M156-A158 PolarHBondContact O-N 2.6Å; M156-G159 PolarHBondContact O-N 3.23Å
157S97.1Very high96.4Very high6 Ų636.1 Ų36.14%0.04217%0.168CC..Hα-helixtrans-63.5-30.7178.481.90000113.6R69 R70 V71 I74 D153 Y154 I155 G159R69-S157 VanDerWaalsContact O-CA 3.25Å; R69-S157 WeakPolarHBondContact O-CA 3.18Å; R70-S157 WeakPolarHBondContact CA-O 3.38Å; V71-S157 PolarHBondContact N-O 3.27Å; I74-S157 WeakPolarHBondContact CD1-OG 3.5Å; D153-S157 WeakPolarHBondContact O-CB 3.3Å; D153-S157 PolarHBondContact O-N 2.91Å; Y154-S157 WeakPolarHBondContact O-CB 3.17Å; Y154-S157 PolarHBondContact O-N 3.4Å; Y154-S157 PolarHBondContact O-OG 3.36Å; I155-S157 PolarHBondContact O-N 2.97Å; S157-G159 VanDerWaalsContact C-N 3.27Å; S157-G159 PolarHBondContact O-N 3.11Å
158A96.4Very high96.6Very high5 Ų528.2 Ų28.24%0.04114%0.138CC..THydrogen-bonded Turntrans-82-2.8173.600000113.1F118 C122 I155 M156 L160F118-A158 HydrophobicContact CE2-CB 4.2Å; F118-A158 HydrophobicContact CZ-CB 4.47Å; C122-A158 CarbonylContact C-O 3.53Å; C122-A158 VanDerWaalsContact CA-O 3.22Å; C122-A158 WeakPolarHBondContact CA-O 3.13Å; C122-A158 HydrophobicContact CB-CB 4.17Å; C122-A158 VanDerWaalsContact CB-O 3.3Å; C122-A158 WeakPolarHBondContact CB-O 3.25Å; I155-A158 PolarHBondContact O-N 3.2Å; M156-A158 PolarHBondContact O-N 2.6Å; A158-L160 HydrophobicContact CB-CD1 3.85Å
159G96.4Very high96.6Very high4 Ų429.2 Ų29.24%0.04115%0.146CC..THydrogen-bonded Turntrans91.518.3179.200000114.5H138 L139 M156 S157H138-G159 WeakPolarHBondContact CA-O 3.23Å; L139-G159 PolarHBondContact N-O 3.39Å; L139-G159 VanDerWaalsContact N-O 3.13Å; M156-G159 PolarHBondContact O-N 3.23Å; S157-G159 VanDerWaalsContact C-N 3.27Å; S157-G159 PolarHBondContact O-N 3.11Å
160L98Very high96.6Very high12 Ų1232.6 Ų32.66%0.06316%0.161CC..EExtended strand (participates in β ladder)trans-79.9144.7170.4-64.7101.6000111.3F118 C122 L139 M141 F146 I155 A158F118-L160 HydrophobicContact CD2-CD1 4.34Å; F118-L160 HydrophobicContact CE2-CD1 4.05Å; C122-L160 HydrophobicContact CB-CD1 4.41Å; L139-L160 HydrophobicContact CB-CG 4.45Å; L139-L160 HydrophobicContact CD2-CD2 4.39Å; L139-L160 CarbonylContact O-C 3.53Å; L139-L160 VanDerWaalsContact O-CA 3.27Å; L139-L160 WeakPolarHBondContact O-CA 3.45Å; M141-L160 HydrophobicContact CB-CB 4.49Å; M141-L160 HydrophobicContact CB-CD2 3.8Å; M141-L160 HydrophobicContact CG-CD2 4.18Å; M141-L160 HydrophobicContact SD-CD2 3.8Å; F146-L160 HydrophobicContact CZ-CB 4.06Å; I155-L160 HydrophobicContact CB-CB 4.36Å; I155-L160 HydrophobicContact CB-CD1 4.19Å; I155-L160 WeakPolarHBondContact O-CD1 3.22Å; I155-L160 PolarHBondContact O-N 3.21Å; A158-L160 HydrophobicContact CB-CD1 3.85Å
161V97.8Very high96.7Very high0 Ų028.8 Ų28.80%015%0.145CC..EExtended strand (participates in β ladder)trans-134.2162.7-178.7-61.10000110.7H138 L139 M140 M141 F146 I171 L181H138-V161 HydrophobicContact CB-CG1 4.19Å; H138-V161 HydrophobicContact CB-CG2 4.14Å; L139-V161 PolarHBondContact O-N 2.87Å; M140-V161 WeakPolarHBondContact CA-O 3.44Å; M140-V161 HydrophobicContact CG-CG2 4.06Å; M141-V161 PolarHBondContact N-O 3.48Å; F146-V161 WeakPolarHBondContact CE2-O 3.33Å; F146-V161 WeakPolarHBondContact CZ-O 3.25Å; V161-I171 HydrophobicContact CB-CD1 4.22Å; V161-I171 HydrophobicContact CG1-CD1 4.03Å; V161-I171 HydrophobicContact CG2-CD1 3.78Å; V161-L181 HydrophobicContact CG2-CD1 4.16Å
162T96.8Very high96.7Very high3 Ų329 Ų292%0.01815%0.146CC..EExtended strand (participates in β ladder)trans-68.4150.2-177.669.20000111.7P64 R65 M141 T143 F146 E164 S167P64-T162 HydrophobicContact CB-CG2 3.42Å; P64-T162 VanDerWaalsContact CB-CG2 3.42Å; R65-T162 HydrophobicContact CG-CG2 4.25Å; R65-T162 WeakPolarHBondContact CG-OG1 3.22Å; M141-T162 CarbonylContact O-C 3.58Å; T143-T162 HydrophobicContact CG2-CG2 4.12Å; F146-T162 HydrophobicContact CB-CG2 4.17Å; F146-T162 HydrophobicContact CD1-CG2 4.48Å; F146-T162 HydrophobicContact CD2-CG2 3.61Å; F146-T162 HydrophobicContact CE2-CG2 4.04Å; F146-T162 HydrophobicContact CG-CG2 3.84Å; T162-E164 WeakPolarHBondContact CB-OE2 3.44Å; T162-E164 PolarHBondContact O-N 3.25Å; T162-E164 VanDerWaalsContact O-N 3.08Å; T162-E164 PolarHBondContact OG1-OE2 3.32Å; T162-S167 VanDerWaalsContact O-CB 3.28Å; T162-S167 WeakPolarHBondContact O-CB 3.47Å; T162-S167 PolarHBondContact O-OG 3.22Å; T162-S167 VanDerWaalsContact O-OG 3.11Å; T162-S167 WeakPolarHBondContact OG1-CB 3.48Å
163S94.8Very high96.6Very high56 Ų5633.4 Ų33.439%0.39217%0.17SC..SBendtrans-7719.3177.964.20000114.1M141M141-S163 WeakPolarHBondContact O-CB 3.29Å; M141-S163 PolarHBondContact O-N 3.12Å
164E94.6Very high96.6Very high36 Ų3635.6 Ų35.617%0.16818%0.175CC..SBendtrans-87.8153.9-176.6-72.1165.3134.200112.1R65 T143 T162 E166 S167 A168R65-E164 WeakPolarHBondContact CD-OE2 3.28Å; R65-E164 VanDerWaalsContact CG-OE2 3.25Å; R65-E164 WeakPolarHBondContact CG-OE2 3.22Å; R65-E164 IonicContact CZ-OE1 3.75Å; R65-E164 IonicContact CZ-OE2 2.68Å; R65-E164 VanDerWaalsContact NE-CD 3.31Å; R65-E164 IonicContact NE-OE1 2.81Å; R65-E164 PolarHBondContact NE-OE1 3.39Å; R65-E164 IonicContact NE-OE2 3.16Å; R65-E164 PolarHBondContact NE-OE2 2.99Å; R65-E164 IonicContact NH2-OE1 3.16Å; R65-E164 PolarHBondContact NH2-OE1 3.26Å; R65-E164 IonicContact NH2-OE2 3.36Å; T143-E164 HydrophobicContact CG2-CG 4.33Å; T143-E164 WeakPolarHBondContact OG1-CG 3.33Å; T162-E164 WeakPolarHBondContact CB-OE2 3.44Å; T162-E164 PolarHBondContact O-N 3.25Å; T162-E164 VanDerWaalsContact O-N 3.08Å; T162-E164 PolarHBondContact OG1-OE2 3.32Å; E164-E166 VanDerWaalsContact C-N 3.27Å; E164-E166 WeakPolarHBondContact CB-OE2 3.27Å; E164-E166 PolarHBondContact O-N 2.97Å; E164-S167 WeakPolarHBondContact O-CB 3.46Å; E164-S167 PolarHBondContact O-N 2.97Å; E164-A168 PolarHBondContact O-N 3.35Å
165K94.4Very high96.4Very high159 Ų15943 Ų4369%0.69121%0.209SC*.Hα-helixtrans-64-36-179.5-69.1-178.6-179.3176.90111.6S167 A168 A169K165-S167 VanDerWaalsContact C-N 3.28Å; K165-S167 PolarHBondContact O-N 3.21Å; K165-A168 PolarHBondContact O-N 2.87Å; K165-A169 VanDerWaalsContact O-CB 3.32Å; K165-A169 WeakPolarHBondContact O-CB 3.33Å; K165-A169 PolarHBondContact O-N 3.1Å
166E95.8Very high96.1Very high118 Ų11846 Ų4655%0.55124%0.241SC*.Hα-helixtrans-62.9-38.1178-62.174.1-164.900111E164 H170E164-E166 VanDerWaalsContact C-N 3.27Å; E164-E166 WeakPolarHBondContact CB-OE2 3.27Å; E164-E166 PolarHBondContact O-N 2.97Å; E166-H170 WeakPolarHBondContact O-CB 3.36Å; E166-H170 PolarHBondContact O-N 3.29Å
167S97.1Very high96Very high0 Ų046.2 Ų46.20%024%0.244CC..Hα-helixtrans-65.9-47.9176-177.30000111.7R65 T162 E164 K165 A169 H170 I171R65-S167 VanDerWaalsContact O-CA 3.3Å; R65-S167 WeakPolarHBondContact O-CA 3.41Å; T162-S167 VanDerWaalsContact O-CB 3.28Å; T162-S167 WeakPolarHBondContact O-CB 3.47Å; T162-S167 PolarHBondContact O-OG 3.22Å; T162-S167 VanDerWaalsContact O-OG 3.11Å; T162-S167 WeakPolarHBondContact OG1-CB 3.48Å; E164-S167 WeakPolarHBondContact O-CB 3.46Å; E164-S167 PolarHBondContact O-N 2.97Å; K165-S167 VanDerWaalsContact C-N 3.28Å; K165-S167 PolarHBondContact O-N 3.21Å; S167-A169 PolarHBondContact O-N 2.94Å; S167-H170 PolarHBondContact O-N 2.93Å; S167-I171 WeakPolarHBondContact O-CG1 3.28Å; S167-I171 PolarHBondContact O-N 3.01Å; S167-I171 VanDerWaalsContact O-N 3.13Å
168A97.6Very high96Very high0 Ų046 Ų460%024%0.242CC..Hα-helixtrans-58.5-49.6174.100000111.4M140 E164 K165 H170 I171 L172 L181 L212M140-A168 HydrophobicContact CE-CB 4.25Å; E164-A168 PolarHBondContact O-N 3.35Å; K165-A168 PolarHBondContact O-N 2.87Å; A168-H170 VanDerWaalsContact C-N 3.34Å; A168-H170 PolarHBondContact O-N 2.97Å; A168-I171 PolarHBondContact O-N 2.62Å; A168-L172 WeakPolarHBondContact O-CB 3.44Å; A168-L172 WeakPolarHBondContact O-CG 3.4Å; A168-L172 PolarHBondContact O-N 3.31Å; A168-L181 HydrophobicContact CB-CD2 3.48Å; A168-L181 VanDerWaalsContact CB-CD2 3.48Å; A168-L212 HydrophobicContact CB-CD1 4.03Å; A168-L212 HydrophobicContact CB-CD2 4.36Å
169A96.8Very high96.1Very high25 Ų2546 Ų4621%0.20724%0.241CC..Hα-helixtrans-60.1-42.3179.500000112.2K165 S167 I171 L172 N173K165-A169 VanDerWaalsContact O-CB 3.32Å; K165-A169 WeakPolarHBondContact O-CB 3.33Å; K165-A169 PolarHBondContact O-N 3.1Å; S167-A169 PolarHBondContact O-N 2.94Å; A169-I171 PolarHBondContact O-N 3.45Å; A169-L172 PolarHBondContact O-N 2.69Å; A169-N173 WeakPolarHBondContact O-CB 3.35Å; A169-N173 VanDerWaalsContact O-CG 3.26Å; A169-N173 PolarHBondContact O-N 3.28Å; A169-N173 PolarHBondContact O-ND2 3.15Å
170H97.1Very high96.2Very high74 Ų7445.9 Ų45.934%0.34324%0.24SC..Hα-helixtrans-58.8-47.4176.9-178.482.1000111.5Q66 E166 S167 A168 R174Q66-H170 VanDerWaalsContact C-NE2 3.27Å; Q66-H170 WeakPolarHBondContact CA-CD2 3.39Å; Q66-H170 WeakPolarHBondContact CA-NE2 3.36Å; Q66-H170 PolarHBondContact O-CD2 2.92Å; Q66-H170 PolarHBondContact O-NE2 3.34Å; E166-H170 WeakPolarHBondContact O-CB 3.36Å; E166-H170 PolarHBondContact O-N 3.29Å; S167-H170 PolarHBondContact O-N 2.93Å; A168-H170 VanDerWaalsContact C-N 3.34Å; A168-H170 PolarHBondContact O-N 2.97Å; H170-R174 WeakPolarHBondContact O-CG 3.46Å; H170-R174 PolarHBondContact O-N 3.34Å
171I97.6Very high96.2Very high0 Ų045.3 Ų45.30%024%0.237CC..Hα-helixtrans-68.2-45.3-178.4-67.6165.4000111H138 V161 S167 A168 A169 N173 R174 N179 L181H138-I171 HydrophobicContact CB-CD1 3.92Å; V161-I171 HydrophobicContact CB-CD1 4.22Å; V161-I171 HydrophobicContact CG1-CD1 4.03Å; V161-I171 HydrophobicContact CG2-CD1 3.78Å; S167-I171 WeakPolarHBondContact O-CG1 3.28Å; S167-I171 PolarHBondContact O-N 3.01Å; S167-I171 VanDerWaalsContact O-N 3.13Å; A168-I171 PolarHBondContact O-N 2.62Å; A169-I171 PolarHBondContact O-N 3.45Å; I171-N173 VanDerWaalsContact C-N 3.32Å; I171-N173 PolarHBondContact O-N 3.11Å; I171-R174 WeakPolarHBondContact O-CB 3.32Å; I171-R174 PolarHBondContact O-N 3.2Å; I171-N179 HydrophobicContact CG2-CB 3.67Å; I171-L181 HydrophobicContact CD1-CD1 3.68Å; I171-L181 HydrophobicContact CG2-CB 4.4Å; I171-L181 HydrophobicContact CG2-CD1 4.49Å
172L97.4Very high96.2Very high10 Ų1045.3 Ų45.35%0.05224%0.237CC..Hα-helixtrans-71.1-26.4-176.4-64.3172000113N102 I104 A168 A169 L181 H216 A218N102-L172 HydrophobicContact CB-CD2 4.33Å; N102-L172 PolarHBondContact ND2-O 3.02Å; I104-L172 HydrophobicContact CD1-CD1 3.63Å; I104-L172 HydrophobicContact CD1-CD2 4.38Å; I104-L172 HydrophobicContact CG1-CD1 3.84Å; I104-L172 HydrophobicContact CG1-CD2 3.67Å; I104-L172 HydrophobicContact CG1-CG 4.38Å; A168-L172 WeakPolarHBondContact O-CB 3.44Å; A168-L172 WeakPolarHBondContact O-CG 3.4Å; A168-L172 PolarHBondContact O-N 3.31Å; A169-L172 PolarHBondContact O-N 2.69Å; L172-L181 HydrophobicContact CD1-CD2 4.27Å; L172-L181 HydrophobicContact CD2-CB 4.33Å; L172-L181 HydrophobicContact CG-CD2 4.31Å; L172-H216 HydrophobicContact CB-CB 3.99Å; L172-H216 HydrophobicContact CD1-CB 4.1Å; L172-A218 HydrophobicContact CD2-CB 3.83Å
173N95.6Very high96.3Very high94 Ų9446.4 Ų46.450%0.50324%0.243SC..THydrogen-bonded Turntrans-90.11.9176.6-69.1-28.5000113.9A169 I171 K175 H216A169-N173 WeakPolarHBondContact O-CB 3.35Å; A169-N173 VanDerWaalsContact O-CG 3.26Å; A169-N173 PolarHBondContact O-N 3.28Å; A169-N173 PolarHBondContact O-ND2 3.15Å; I171-N173 VanDerWaalsContact C-N 3.32Å; I171-N173 PolarHBondContact O-N 3.11Å; N173-K175 PolarHBondContact O-N 2.83Å; N173-H216 PolarHBondContact ND2-CE1 3.02Å; N173-H216 PolarHBondContact OD1-ND1 3.11Å
174R94.9Very high96.5Very high83 Ų8344.9 Ų44.931%0.31323%0.23SC..  trans-63123.9177.2-79.2-173.6179.2-174.1-1.7110.7Q66 N102 H170 I171Q66-R174 PolarHBondContact O-NH2 3.08Å; N102-R174 PolarHBondContact ND2-O 3.38Å; H170-R174 WeakPolarHBondContact O-CG 3.46Å; H170-R174 PolarHBondContact O-N 3.34Å; I171-R174 WeakPolarHBondContact O-CB 3.32Å; I171-R174 PolarHBondContact O-N 3.2Å
175K92.8Very high96.6Very high210 Ų21043.8 Ų43.891%0.91323%0.225SC*.THydrogen-bonded Turntrans-63.1147.6172.6-62.6-174.9178.8-1770110.2N173 G177N173-K175 PolarHBondContact O-N 2.83Å; K175-G177 VanDerWaalsContact C-N 3.34Å
176G91.4Very high96.4Very high70 Ų7036.2 Ų36.272%0.72219%0.193SC*.THydrogen-bonded Turntrans88.2-5.6-179.500000115
177G95.2Very high96.2Very high6 Ų631.5 Ų31.56%0.06218%0.176CC..  trans68.7-162.4172.900000114.7P99 S100 N102 K175 N179P99-G177 CarbonylContact O-C 3.3Å; P99-G177 VanDerWaalsContact O-C 3.3Å; S100-G177 WeakPolarHBondContact O-CA 3.22Å; N102-G177 VanDerWaalsContact OD1-CA 3.26Å; N102-G177 WeakPolarHBondContact OD1-CA 3.27Å; K175-G177 VanDerWaalsContact C-N 3.34Å; G177-N179 VanDerWaalsContact C-N 3.32Å; G177-N179 PolarHBondContact O-N 3.1Å; G177-N179 PolarHBondContact O-ND2 2.99Å; G177-N179 VanDerWaalsContact O-ND2 3.11Å
178G97.3Very high95.7Very high0 Ų032.8 Ų32.80%019%0.186CC..  trans75.120.917000000113.3P99 R101 N102 I135 R136P99-G178 WeakPolarHBondContact O-CA 3.28Å; P99-G178 PolarHBondContact O-N 3.37Å; R101-G178 PolarHBondContact O-N 2.81Å; N102-G178 PolarHBondContact OD1-N 2.59Å; I135-G178 CarbonylContact C-O 3.51Å; I135-G178 WeakPolarHBondContact CA-O 3.5Å; R136-G178 WeakPolarHBondContact CB-O 3.46Å; R136-G178 PolarHBondContact N-O 3.36Å
179N98.3Very high95.3Very high5 Ų535.8 Ų35.83%0.02720%0.201CC..EExtended strand (participates in β ladder)trans-105131.7172.2-56.1-86.3000110N102 Y103 R136 H138 I171 G177N102-N179 CarbonylContact C-O 3.42Å; N102-N179 VanDerWaalsContact CA-O 3.27Å; N102-N179 WeakPolarHBondContact CA-O 3.22Å; N102-N179 WeakPolarHBondContact OD1-CB 3.38Å; N102-N179 PolarHBondContact OD1-N 3.22Å; N102-N179 PolarHBondContact OD1-ND2 3.04Å; Y103-N179 PolarHBondContact N-O 3.24Å; R136-N179 WeakPolarHBondContact O-CA 3.4Å; H138-N179 PolarHBondContact NE2-OD1 3.14Å; I171-N179 HydrophobicContact CG2-CB 3.67Å; G177-N179 VanDerWaalsContact C-N 3.32Å; G177-N179 PolarHBondContact O-N 3.1Å; G177-N179 PolarHBondContact O-ND2 2.99Å; G177-N179 VanDerWaalsContact O-ND2 3.11Å
180L98.5Very high95.1Very high2 Ų234.9 Ų34.91%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-113.6108.8173.9-18074.8000108.3L97 Y103 A105 L121 F128 I135 R136 P137 H138 G182 V221L97-L180 HydrophobicContact CD1-CD1 4.48Å; Y103-L180 HydrophobicContact CG-CD1 4.28Å; A105-L180 HydrophobicContact CB-CD1 3.71Å; A105-L180 HydrophobicContact CB-CD2 4.26Å; A105-L180 HydrophobicContact CB-CG 3.95Å; L121-L180 HydrophobicContact CD2-CD2 4.26Å; F128-L180 HydrophobicContact CE2-CD2 4.12Å; F128-L180 HydrophobicContact CZ-CD2 3.7Å; I135-L180 HydrophobicContact CG2-CB 3.6Å; I135-L180 HydrophobicContact CG2-CD2 4.36Å; R136-L180 PolarHBondContact O-N 3.02Å; P137-L180 CarbonylContact C-O 3.58Å; P137-L180 WeakPolarHBondContact CA-O 3.48Å; H138-L180 PolarHBondContact N-O 3.38Å; L180-G182 PolarHBondContact O-N 2.88Å; L180-V221 HydrophobicContact CD1-CG2 4.36Å
181L98.6Very high94.7Very high0 Ų031.4 Ų31.40%018%0.176CC..EExtended strand (participates in β ladder)trans-87.1104.5176.3-176.168000109.8Y103 I104 A105 H138 M140 V161 A168 I171 L172 I183Y103-L181 PolarHBondContact O-N 3.01Å; I104-L181 CarbonylContact C-O 3.57Å; I104-L181 WeakPolarHBondContact CA-O 3.29Å; A105-L181 PolarHBondContact N-O 2.8Å; H138-L181 HydrophobicContact CB-CD1 4.35Å; H138-L181 CarbonylContact O-C 3.59Å; M140-L181 HydrophobicContact CG-CD1 3.7Å; M140-L181 HydrophobicContact CG-CG 4.26Å; M140-L181 HydrophobicContact SD-CD1 3.92Å; M140-L181 HydrophobicContact SD-CD2 3.86Å; M140-L181 HydrophobicContact SD-CG 3.94Å; V161-L181 HydrophobicContact CG2-CD1 4.16Å; A168-L181 HydrophobicContact CB-CD2 3.48Å; A168-L181 VanDerWaalsContact CB-CD2 3.48Å; I171-L181 HydrophobicContact CD1-CD1 3.68Å; I171-L181 HydrophobicContact CG2-CB 4.4Å; I171-L181 HydrophobicContact CG2-CD1 4.49Å; L172-L181 HydrophobicContact CD1-CD2 4.27Å; L172-L181 HydrophobicContact CD2-CB 4.33Å; L172-L181 HydrophobicContact CG-CD2 4.31Å; L181-I183 HydrophobicContact CD2-CD1 4.36Å; L181-I183 HydrophobicContact CG-CG1 4.36Å
182G98.4Very high94.3Very high1 Ų131.4 Ų31.41%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-79127.2174.600000112A105 H138 M140 L180A105-G182 CarbonylContact O-C 3.5Å; A105-G182 WeakPolarHBondContact O-CA 3.31Å; H138-G182 PolarHBondContact O-N 3.12Å; M140-G182 PolarHBondContact N-O 3.28Å; L180-G182 PolarHBondContact O-N 2.88Å
183I98.5Very high94Very high26 Ų2633.6 Ų33.613%0.13319%0.188CC..EExtended strand (participates in β ladder)trans-125.6119.2176.1-51.2-172.3000107.8I104 A105 G106 F107 M140 L181 V185 F209I104-I183 HydrophobicContact CG2-CD1 3.86Å; I104-I183 HydrophobicContact CG2-CG1 4.27Å; A105-I183 PolarHBondContact O-N 2.89Å; G106-I183 WeakPolarHBondContact CA-O 3.43Å; F107-I183 PolarHBondContact N-O 3.3Å; M140-I183 HydrophobicContact CG-CG1 4.48Å; M140-I183 HydrophobicContact SD-CD1 3.72Å; M140-I183 HydrophobicContact SD-CG1 3.59Å; M140-I183 VanDerWaalsContact SD-CG1 3.59Å; L181-I183 HydrophobicContact CD2-CD1 4.36Å; L181-I183 HydrophobicContact CG-CG1 4.36Å; I183-V185 HydrophobicContact CG2-CG2 4.5Å; I183-V185 PolarHBondContact O-N 2.86Å; I183-F209 HydrophobicContact CD1-CB 3.92Å
184I97.8Very high93.8Very high23 Ų2329.2 Ų29.212%0.11817%0.165CC..EExtended strand (participates in β ladder)trans-81.499.8170.1-52.6168.5000107.4F107 H110 A114 A117 L139 G186 G187F107-I184 HydrophobicContact CB-CG1 4.29Å; F107-I184 HydrophobicContact CD1-CG1 4.32Å; F107-I184 HydrophobicContact CD1-CG2 4.43Å; H110-I184 VanDerWaalsContact CA-CG2 3.43Å; H110-I184 HydrophobicContact CB-CG2 3.45Å; H110-I184 VanDerWaalsContact CB-CG2 3.45Å; H110-I184 WeakPolarHBondContact CD2-CG2 3.32Å; A114-I184 HydrophobicContact CB-CD1 3.54Å; A117-I184 HydrophobicContact CB-CD1 3.99Å; A117-I184 HydrophobicContact CB-CG1 4.31Å; L139-I184 HydrophobicContact CD1-CD1 4.33Å; L139-I184 HydrophobicContact CD1-CG1 4.1Å; I184-G186 PolarHBondContact O-N 3.41Å; I184-G187 PolarHBondContact O-N 3.42Å; I184-G187 VanDerWaalsContact O-N 3.12Å
185V96.8Very high93.6Very high13 Ų1328.1 Ų28.18%0.07916%0.16CC..THydrogen-bonded Turntrans-69.3-39-158.4-178.20000112.7F107 I183 G187 L203 R206 F209F107-V185 PolarHBondContact O-N 3.22Å; I183-V185 HydrophobicContact CG2-CG2 4.5Å; I183-V185 PolarHBondContact O-N 2.86Å; V185-G187 PolarHBondContact O-N 3.06Å; V185-L203 HydrophobicContact CG1-CD1 3.64Å; V185-R206 HydrophobicContact CG1-CB 3.65Å; V185-R206 HydrophobicContact CG1-CG 4.17Å; V185-F209 HydrophobicContact CG1-CD1 3.82Å; V185-F209 HydrophobicContact CG1-CE1 3.67Å; V185-F209 HydrophobicContact CG2-CD1 4.25Å; V185-F209 HydrophobicContact CG2-CE1 4.24Å; V185-F209 HydrophobicContact CG2-CZ 4.5Å
186G91.6Very high93.6Very high0 Ų020.9 Ų20.90%014%0.135CC..THydrogen-bonded Turntrans-66.2-25.4176.200000113.5I184 E190I184-G186 PolarHBondContact O-N 3.41Å; G186-E190 PolarHBondContact O-N 3.13Å
187G90.9Very high93.5Very high20 Ų2019.3 Ų19.321%0.20612%0.119CC..Hα-helixtrans58.4-158.5176.200000113.7H110 I184 V185 Q189 E190 A191H110-G187 PolarHBondContact CD2-O 2.77Å; H110-G187 VanDerWaalsContact CD2-O 3.25Å; I184-G187 PolarHBondContact O-N 3.42Å; I184-G187 VanDerWaalsContact O-N 3.12Å; V185-G187 PolarHBondContact O-N 3.06Å; G187-Q189 PolarHBondContact O-N 3.34Å; G187-Q189 VanDerWaalsContact O-N 3.11Å; G187-E190 PolarHBondContact O-N 3.11Å; G187-E190 VanDerWaalsContact O-N 3.16Å; G187-A191 PolarHBondContact O-N 3.1Å
188A86.6Confident93.3Very high26 Ų2620.4 Ų20.422%0.21513%0.125CC..Hα-helixtrans-55-31.3-179.900000113.5A191 Q251 S257A188-A191 WeakPolarHBondContact O-CB 3.27Å; A188-A191 PolarHBondContact O-N 2.87Å; A188-Q251 HydrophobicContact CB-CG 4.5Å; A188-S257 WeakPolarHBondContact CA-OG 3.46Å; A188-S257 WeakPolarHBondContact CB-OG 3.19Å; A188-S257 WeakPolarHBondContact O-CB 3.3Å; A188-S257 PolarHBondContact O-OG 2.98Å
189Q88.9Confident93.2Very high64 Ų6421.6 Ų21.630%0.29913%0.131SC..Hα-helixtrans-69-42.8-179.2-171175.2-10.700111.9G187 A191 L192 L202G187-Q189 PolarHBondContact O-N 3.34Å; G187-Q189 VanDerWaalsContact O-N 3.11Å; Q189-A191 PolarHBondContact O-N 2.95Å; Q189-L192 WeakPolarHBondContact O-CB 3.45Å; Q189-L192 PolarHBondContact O-N 3.28Å; Q189-L192 VanDerWaalsContact O-N 3.16Å; Q189-L202 HydrophobicContact CB-CD2 3.51Å; Q189-L202 VanDerWaalsContact CD-CD2 3.46Å; Q189-L202 HydrophobicContact CG-CD2 3.57Å
190E92.4Very high92.9Very high6 Ų623.7 Ų23.73%0.02814%0.144CC..Hα-helixtrans-65.1-29.7177.4-173.2173.8-99.900112.1H110 G186 G187 L192 D193 A194 L201 L202H110-E190 HydrophobicContact CB-CB 4.23Å; H110-E190 HydrophobicContact CB-CG 4.33Å; H110-E190 WeakPolarHBondContact CB-OE2 3.27Å; H110-E190 PolarHBondContact N-OE2 3.38Å; G186-E190 PolarHBondContact O-N 3.13Å; G187-E190 PolarHBondContact O-N 3.11Å; G187-E190 VanDerWaalsContact O-N 3.16Å; E190-L192 PolarHBondContact O-N 2.98Å; E190-D193 CarbonylContact O-C 3.58Å; E190-D193 WeakPolarHBondContact O-CA 3.35Å; E190-D193 PolarHBondContact O-N 3.35Å; E190-A194 PolarHBondContact O-N 2.86Å; E190-A194 VanDerWaalsContact O-N 3.14Å; E190-L201 VanDerWaalsContact OE1-CA 3.27Å; E190-L201 WeakPolarHBondContact OE1-CA 3.3Å; E190-L202 HydrophobicContact CB-CB 4.07Å; E190-L202 HydrophobicContact CG-CB 4.39Å; E190-L202 PolarHBondContact OE1-N 3.36Å
191A90.3Very high92.8Very high0 Ų023.7 Ų23.70%014%0.143CC..Hα-helixtrans-60.1-27.7174.700000113.3G111 G187 A188 Q189 D193 Q234G111-A191 WeakPolarHBondContact O-CA 3.17Å; G111-A191 WeakPolarHBondContact O-CB 3.38Å; G187-A191 PolarHBondContact O-N 3.1Å; A188-A191 WeakPolarHBondContact O-CB 3.27Å; A188-A191 PolarHBondContact O-N 2.87Å; Q189-A191 PolarHBondContact O-N 2.95Å; A191-D193 PolarHBondContact O-N 2.8Å; A191-Q234 PolarHBondContact O-NE2 3.46Å
192L89Confident92.6Very high0 Ų024.5 Ų24.50%015%0.148CC..THydrogen-bonded Turntrans-72-16.8175.4-62.9175.1000113.2Q189 E190 R195 Q234 N237 R244 Q247 P259Q189-L192 WeakPolarHBondContact O-CB 3.45Å; Q189-L192 PolarHBondContact O-N 3.28Å; Q189-L192 VanDerWaalsContact O-N 3.16Å; E190-L192 PolarHBondContact O-N 2.98Å; L192-R195 PolarHBondContact O-NH1 2.74Å; L192-Q234 PolarHBondContact O-OE1 3.49Å; L192-N237 PolarHBondContact O-ND2 2.85Å; L192-N237 VanDerWaalsContact O-ND2 3.12Å; L192-R244 PolarHBondContact O-NH2 3.38Å; L192-Q247 HydrophobicContact CD1-CB 4.05Å; L192-Q247 HydrophobicContact CD2-CB 4.1Å; L192-Q247 HydrophobicContact CD2-CG 4.24Å; L192-P259 HydrophobicContact CD2-CB 4.18Å
193D89.5Confident92.5Very high57 Ų5724.4 Ų24.431%0.30515%0.147SC..THydrogen-bonded Turntrans-1122.5-177.1-63.5-50.7000112.4E190 A191 R195 R244E190-D193 CarbonylContact O-C 3.58Å; E190-D193 WeakPolarHBondContact O-CA 3.35Å; E190-D193 PolarHBondContact O-N 3.35Å; A191-D193 PolarHBondContact O-N 2.8Å; D193-R195 PolarHBondContact O-N 3.26Å; D193-R244 VanDerWaalsContact CG-NH1 3.32Å; D193-R244 IonicContact OD1-CZ 2.59Å; D193-R244 IonicContact OD1-NH1 2.82Å; D193-R244 PolarHBondContact OD1-NH1 2.99Å; D193-R244 IonicContact OD1-NH2 3.36Å; D193-R244 PolarHBondContact OD1-NH2 3.36Å; D193-R244 IonicContact OD2-NH1 3.95Å; D193-R244 PolarHBondContact OD2-NH1 3.43Å; D193-R244 VanDerWaalsContact OD2-NH1 3.16Å
194A91.3Very high92.3Very high2 Ų230.4 Ų30.42%0.01717%0.168CC..  trans-64102.8176.100000110.9V112 E190 Q234V112-A194 HydrophobicContact CG2-CB 3.99Å; E190-A194 PolarHBondContact O-N 2.86Å; E190-A194 VanDerWaalsContact O-N 3.14Å; A194-Q234 PolarHBondContact O-NE2 3.45Å
195R91.9Very high92.1Very high60 Ų6035.1 Ų35.123%0.22619%0.193CC..  trans-126.9140.3-177.8-68.7-59.3-159-80.58.2110.5L192 D193 G197 S198 N229 Q234 I235 N237L192-R195 PolarHBondContact O-NH1 2.74Å; D193-R195 PolarHBondContact O-N 3.26Å; R195-G197 PolarHBondContact O-N 3.13Å; R195-S198 WeakPolarHBondContact O-CB 3.35Å; R195-S198 PolarHBondContact O-N 3.21Å; R195-N229 CarbonylContact C-O 3.56Å; R195-N229 WeakPolarHBondContact O-CB 3.41Å; R195-Q234 VanDerWaalsContact CZ-CB 3.43Å; R195-I235 PolarHBondContact NH2-O 3.29Å; R195-N237 VanDerWaalsContact CZ-OD1 3.31Å; R195-N237 PolarHBondContact NH1-OD1 2.76Å; R195-N237 VanDerWaalsContact NH1-OD1 3.14Å; R195-N237 PolarHBondContact NH2-OD1 2.93Å
196P92.7Very high92.1Very high58 Ų5838.7 Ų38.738%0.37721%0.206SC..THydrogen-bonded Turntrans-53.5135.4174.9-2735000112S198 D230 F232P196-S198 PolarHBondContact O-N 3.14Å; P196-D230 WeakPolarHBondContact CA-OD1 3.46Å; P196-F232 WeakPolarHBondContact CD-O 3.46Å; P196-F232 WeakPolarHBondContact CG-O 3.48Å
197G89.9Confident92.3Very high37 Ų3741.3 Ų41.338%0.38122%0.217SC..THydrogen-bonded Turntrans69.53.2-177.300000116R195 F199 D230 Q329R195-G197 PolarHBondContact O-N 3.13Å; G197-F199 WeakPolarHBondContact O-CD2 3.41Å; G197-F199 WeakPolarHBondContact O-CE2 3.48Å; G197-D230 PolarHBondContact N-OD1 3.46Å; G197-Q329 PolarHBondContact O-NE2 2.88Å; G197-Q329 VanDerWaalsContact O-NE2 3.1Å
198S90.6Very high92.6Very high29 Ų2942.6 Ų42.620%0.20323%0.23CC..  trans-84.3133.9175.2-179.80000111.9R195 P196 T200 N229R195-S198 WeakPolarHBondContact O-CB 3.35Å; R195-S198 PolarHBondContact O-N 3.21Å; P196-S198 PolarHBondContact O-N 3.14Å; S198-T200 PolarHBondContact OG-N 3.25Å; S198-N229 PolarHBondContact O-ND2 2.82Å
199F93.9Very high93.1Very high25 Ų2541.8 Ų41.811%0.1122%0.222CC..  trans-120.424.1175.4-60.3-71.8000112.4G197 F224 F316 I325 Q329 L331 E332G197-F199 WeakPolarHBondContact O-CD2 3.41Å; G197-F199 WeakPolarHBondContact O-CE2 3.48Å; F199-F224 AromaticContact CD1-CZ 3.97Å; F199-F224 HydrophobicContact CD1-CZ 3.97Å; F199-F224 HydrophobicContact CE1-CZ 4.39Å; F199-F316 AromaticContact CD1-CE2 3.56Å; F199-F316 HydrophobicContact CD1-CE2 3.56Å; F199-F316 AromaticContact CD1-CZ 3.94Å; F199-F316 HydrophobicContact CD1-CZ 3.94Å; F199-F316 HydrophobicContact CD2-CZ 4.42Å; F199-F316 AromaticContact CE1-CE2 3.82Å; F199-F316 HydrophobicContact CE1-CE2 3.82Å; F199-F316 HydrophobicContact CE1-CZ 4.27Å; F199-F316 HydrophobicContact CG-CE2 4.11Å; F199-F316 HydrophobicContact CG-CZ 4.02Å; F199-I325 HydrophobicContact CE1-CD1 3.66Å; F199-I325 HydrophobicContact CE2-CD1 4.19Å; F199-I325 HydrophobicContact CE2-CG1 4.23Å; F199-I325 HydrophobicContact CE2-CG2 4.09Å; F199-I325 HydrophobicContact CZ-CD1 3.33Å; F199-I325 HydrophobicContact CZ-CG1 3.7Å; F199-I325 HydrophobicContact CZ-CG2 4.3Å; F199-Q329 HydrophobicContact CD2-CG 3.73Å; F199-Q329 HydrophobicContact CE2-CG 4.08Å; F199-Q329 VanDerWaalsContact CE2-NE2 3.32Å; F199-L331 HydrophobicContact CB-CD2 4.01Å; F199-E332 PolarHBondContact O-N 3.1Å; F199-E332 VanDerWaalsContact O-N 3.11Å
200T93.6Very high93.6Very high49 Ų4938.8 Ų38.830%0.30121%0.208SC..EExtended strand (participates in β ladder)trans-82.1122.4172.8-46.60000109.9S198 E332 C334S198-T200 PolarHBondContact OG-N 3.25Å; T200-E332 CarbonylContact C-O 3.57Å; T200-E332 WeakPolarHBondContact CA-O 3.25Å; T200-E332 HydrophobicContact CG2-CB 4.19Å; T200-E332 PolarHBondContact OG1-OE2 3.12Å; T200-C334 HydrophobicContact CG2-CB 4.21Å
201L96.1Very high93.8Very high1 Ų143.5 Ų43.51%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-111.8131.9-179.6-58-177.6000110.9H108 P109 E190 L203 F224 L312 L331 E332 F333 C334H108-L201 HydrophobicContact CB-CD1 3.88Å; H108-L201 HydrophobicContact CB-CD2 4.08Å; P109-L201 HydrophobicContact CB-CD2 3.66Å; E190-L201 VanDerWaalsContact OE1-CA 3.27Å; E190-L201 WeakPolarHBondContact OE1-CA 3.3Å; L201-L203 VanDerWaalsContact C-N 3.3Å; L201-L203 HydrophobicContact CB-CB 4.45Å; L201-L203 PolarHBondContact O-N 3.34Å; L201-F224 HydrophobicContact CD1-CE2 4.21Å; L201-F224 HydrophobicContact CD2-CE2 4.42Å; L201-L312 HydrophobicContact CD1-CD2 3.84Å; L201-L331 HydrophobicContact CD1-CD1 4.04Å; L201-L331 HydrophobicContact CD1-CD2 4.25Å; L201-E332 PolarHBondContact N-O 2.99Å; L201-F333 HydrophobicContact CB-CD1 4.12Å; L201-F333 HydrophobicContact CB-CE1 4.39Å; L201-F333 HydrophobicContact CD1-CE1 4.04Å; L201-F333 CarbonylContact O-C 3.36Å; L201-F333 WeakPolarHBondContact O-CA 3.31Å; L201-C334 PolarHBondContact O-N 3.33Å
202L94.6Very high94.2Very high17 Ų1744.9 Ų44.99%0.08923%0.233CC..THydrogen-bonded Turntrans-81.179.9173.6-172.172.3000109.9Q189 E190 R206 C334Q189-L202 HydrophobicContact CB-CD2 3.51Å; Q189-L202 VanDerWaalsContact CD-CD2 3.46Å; Q189-L202 HydrophobicContact CG-CD2 3.57Å; E190-L202 HydrophobicContact CB-CB 4.07Å; E190-L202 HydrophobicContact CG-CB 4.39Å; E190-L202 PolarHBondContact OE1-N 3.36Å; L202-R206 WeakPolarHBondContact O-CG 3.24Å; L202-C334 HydrophobicContact CD1-CB 4.48Å
203L96.2Very high94.6Very high0 Ų044.9 Ų44.90%023%0.233CC..THydrogen-bonded Turntrans-128.6-24.1-173.1-17755.3000113.2V185 L201 N205 R206 F209 H305 Y308 I309 L312 F333 C334V185-L203 HydrophobicContact CG1-CD1 3.64Å; L201-L203 VanDerWaalsContact C-N 3.3Å; L201-L203 HydrophobicContact CB-CB 4.45Å; L201-L203 PolarHBondContact O-N 3.34Å; L203-N205 PolarHBondContact O-N 3.12Å; L203-R206 HydrophobicContact CD1-CB 4.32Å; L203-R206 PolarHBondContact O-N 2.98Å; L203-F209 HydrophobicContact CD1-CE1 3.87Å; L203-F209 HydrophobicContact CD1-CZ 4.14Å; L203-H305 PolarHBondContact O-CE1 3.32Å; L203-H305 PolarHBondContact O-NE2 2.95Å; L203-H305 VanDerWaalsContact O-NE2 3.1Å; L203-Y308 HydrophobicContact CD1-CE1 4.33Å; L203-Y308 HydrophobicContact CD2-CD1 4.27Å; L203-Y308 HydrophobicContact CD2-CE1 4.01Å; L203-I309 HydrophobicContact CD2-CG1 3.8Å; L203-I309 HydrophobicContact CG-CD1 4.4Å; L203-I309 HydrophobicContact CG-CG1 4.15Å; L203-L312 HydrophobicContact CD2-CD2 3.7Å; L203-F333 HydrophobicContact CB-CD1 3.96Å; L203-F333 HydrophobicContact CD2-CD1 4Å; L203-F333 HydrophobicContact CD2-CE1 3.87Å; L203-F333 HydrophobicContact CG-CD1 4.43Å; L203-C334 PolarHBondContact N-O 3.44Å; L203-C334 VanDerWaalsContact N-O 3.12Å
204R93.9Very high95.1Very high152 Ų15242.8 Ų42.857%0.57422%0.221SC*.THydrogen-bonded Turntrans-53.5-40-167.2-173.2-178.1-68.6-163.7-2.7112.9H305 F333 C334R204-H305 PolarHBondContact O-CE1 3.43Å; R204-H305 VanDerWaalsContact O-CE1 3.29Å; R204-F333 HydrophobicContact CB-CB 4.48Å; R204-F333 PolarHBondContact NE-O 3.37Å; R204-F333 PolarHBondContact NH2-O 3.05Å; R204-C334 VanDerWaalsContact CB-C 3.48Å; R204-C334 VanDerWaalsContact CB-O 3.25Å; R204-C334 WeakPolarHBondContact CB-O 3.43Å; R204-C334 PolarHBondContact N-O 3.36Å
205N93.7Very high95.4Very high121 Ų12144.8 Ų44.865%0.64723%0.233SC*.THydrogen-bonded Turntrans-109.45.2-177.6-62-50.6000113.6L203 K207L203-N205 PolarHBondContact O-N 3.12Å; N205-K207 PolarHBondContact O-N 2.75Å; N205-K207 VanDerWaalsContact O-N 3.1Å
206R95.9Very high95.6Very high89 Ų8943.5 Ų43.534%0.33623%0.23SC..  trans-87.670.5-175.8-66-62.1-172.1-174.8-3.4112V185 L202 L203 F209V185-R206 HydrophobicContact CG1-CB 3.65Å; V185-R206 HydrophobicContact CG1-CG 4.17Å; L202-R206 WeakPolarHBondContact O-CG 3.24Å; L203-R206 HydrophobicContact CD1-CB 4.32Å; L203-R206 PolarHBondContact O-N 2.98Å; R206-F209 VanDerWaalsContact O-CD1 3.22Å; R206-F209 WeakPolarHBondContact O-CD1 3.14Å; R206-F209 WeakPolarHBondContact O-CE1 3.25Å
207K97.3Very high95.9Very high54 Ų5441.8 Ų41.824%0.23522%0.223CC..  trans-91.70.3-175.4-63174.1-175.4171.70115.2N205 F209 I210 R211 V301 N302 H305N205-K207 PolarHBondContact O-N 2.75Å; N205-K207 VanDerWaalsContact O-N 3.1Å; K207-F209 PolarHBondContact O-N 2.94Å; K207-I210 WeakPolarHBondContact O-CB 3.44Å; K207-I210 PolarHBondContact O-N 2.73Å; K207-R211 PolarHBondContact O-N 3.25Å; K207-R211 VanDerWaalsContact O-N 3.09Å; K207-V301 HydrophobicContact CB-CG1 3.79Å; K207-V301 HydrophobicContact CD-CG1 4.15Å; K207-V301 HydrophobicContact CG-CG1 4.29Å; K207-N302 WeakPolarHBondContact CE-OD1 3.29Å; K207-N302 PolarHBondContact NZ-OD1 3.41Å; K207-H305 HydrophobicContact CG-CB 4.46Å
208G96.6Very high96.3Very high47 Ų4740.1 Ų40.149%0.48521%0.206SC..Hα-helixtrans-61.7-42.4-175.300000113.9I210 R211 L212G208-I210 VanDerWaalsContact C-N 3.33Å; G208-R211 PolarHBondContact O-N 2.89Å; G208-L212 PolarHBondContact O-N 3.46Å; G208-L212 VanDerWaalsContact O-N 3.09Å
209F97.8Very high96.6Very high10 Ų1038.9 Ų38.94%0.04420%0.197CC..Hα-helixtrans-70.9-29.4178.477.5-79.6000112.7I104 I183 V185 L203 R206 K207 L212 A213 L220 Y308I104-F209 HydrophobicContact CG2-CD2 4.45Å; I183-F209 HydrophobicContact CD1-CB 3.92Å; V185-F209 HydrophobicContact CG1-CD1 3.82Å; V185-F209 HydrophobicContact CG1-CE1 3.67Å; V185-F209 HydrophobicContact CG2-CD1 4.25Å; V185-F209 HydrophobicContact CG2-CE1 4.24Å; V185-F209 HydrophobicContact CG2-CZ 4.5Å; L203-F209 HydrophobicContact CD1-CE1 3.87Å; L203-F209 HydrophobicContact CD1-CZ 4.14Å; R206-F209 VanDerWaalsContact O-CD1 3.22Å; R206-F209 WeakPolarHBondContact O-CD1 3.14Å; R206-F209 WeakPolarHBondContact O-CE1 3.25Å; K207-F209 PolarHBondContact O-N 2.94Å; F209-L212 PolarHBondContact O-N 3.11Å; F209-A213 PolarHBondContact O-N 3.08Å; F209-L220 HydrophobicContact CD2-CD2 3.55Å; F209-L220 HydrophobicContact CE2-CD1 4.49Å; F209-L220 HydrophobicContact CE2-CD2 3.73Å; F209-Y308 HydrophobicContact CE2-CD1 4.11Å; F209-Y308 AromaticContact CE2-CD2 3.94Å; F209-Y308 HydrophobicContact CE2-CD2 3.94Å; F209-Y308 AromaticContact CE2-CE1 3.95Å; F209-Y308 HydrophobicContact CE2-CE1 3.95Å; F209-Y308 AromaticContact CE2-CE2 3.79Å; F209-Y308 HydrophobicContact CE2-CE2 3.79Å; F209-Y308 HydrophobicContact CE2-CG 4.1Å; F209-Y308 AromaticContact CE2-CZ 3.79Å; F209-Y308 AromaticContact CZ-CD1 3.63Å; F209-Y308 HydrophobicContact CZ-CD1 3.63Å; F209-Y308 HydrophobicContact CZ-CD2 4.31Å; F209-Y308 AromaticContact CZ-CE1 3.56Å; F209-Y308 HydrophobicContact CZ-CE1 3.56Å; F209-Y308 HydrophobicContact CZ-CE2 4.25Å; F209-Y308 HydrophobicContact CZ-CG 4.02Å; F209-Y308 AromaticContact CZ-CZ 3.89Å
210I98.4Very high96.9Very high0 Ų037.7 Ų37.70%019%0.191CC..Hα-helixtrans-65.4-45.2172.8-56.1-62.5000110.5K207 G208 L212 A213 L214 L220 V301 L304 H305 Y308K207-I210 WeakPolarHBondContact O-CB 3.44Å; K207-I210 PolarHBondContact O-N 2.73Å; G208-I210 VanDerWaalsContact C-N 3.33Å; I210-L212 VanDerWaalsContact C-N 3.32Å; I210-L212 PolarHBondContact O-N 2.95Å; I210-A213 WeakPolarHBondContact O-CB 3.41Å; I210-A213 PolarHBondContact O-N 3.43Å; I210-L214 HydrophobicContact CG2-CD1 4.16Å; I210-L214 PolarHBondContact O-N 2.86Å; I210-L220 HydrophobicContact CD1-CD1 3.46Å; I210-L220 VanDerWaalsContact CD1-CD1 3.46Å; I210-L220 HydrophobicContact CD1-CD2 4.49Å; I210-V301 HydrophobicContact CB-CG1 4.29Å; I210-V301 HydrophobicContact CG2-CG1 4.01Å; I210-V301 WeakPolarHBondContact CG2-O 3.3Å; I210-L304 HydrophobicContact CG2-CB 3.86Å; I210-L304 HydrophobicContact CG2-CD2 3.82Å; I210-L304 HydrophobicContact CG2-CG 3.88Å; I210-H305 HydrophobicContact CD1-CB 4.42Å; I210-H305 HydrophobicContact CG1-CB 3.98Å; I210-H305 HydrophobicContact CG2-CB 4.5Å; I210-Y308 HydrophobicContact CD1-CG 4.21Å
211R98Very high97.1Very high106 Ų10635.3 Ų35.340%0.418%0.177SC..Hα-helixtrans-59-44.6174.3-68.5-178.8-168.9-156.75.5111.3K207 G208 A213 L214 T215 E298 V301K207-R211 PolarHBondContact O-N 3.25Å; K207-R211 VanDerWaalsContact O-N 3.09Å; G208-R211 PolarHBondContact O-N 2.89Å; R211-A213 VanDerWaalsContact C-N 3.35Å; R211-A213 PolarHBondContact O-N 3.07Å; R211-L214 PolarHBondContact O-N 3.23Å; R211-T215 WeakPolarHBondContact O-CB 3.49Å; R211-T215 PolarHBondContact O-N 3.17Å; R211-T215 PolarHBondContact O-OG1 2.68Å; R211-E298 IonicContact CZ-OE1 3.74Å; R211-E298 IonicContact CZ-OE2 2.71Å; R211-E298 IonicContact NH1-OE1 2.62Å; R211-E298 PolarHBondContact NH1-OE1 2.9Å; R211-E298 IonicContact NH2-OE1 3.48Å; R211-E298 PolarHBondContact NH2-OE1 2.76Å; R211-E298 IonicContact NH2-OE2 3.38Å; R211-E298 PolarHBondContact NH2-OE2 3.36Å; R211-V301 HydrophobicContact CG-CG1 3.99Å; R211-V301 HydrophobicContact CG-CG2 3.63Å
212L97.5Very high97.3Very high29 Ų2935.4 Ų35.415%0.15218%0.178CC..Hα-helixtrans-59.4-44.2175.2-73.5170.7000112I104 A168 G208 F209 I210 L214 T215 H216I104-L212 HydrophobicContact CD1-CB 3.9Å; A168-L212 HydrophobicContact CB-CD1 4.03Å; A168-L212 HydrophobicContact CB-CD2 4.36Å; G208-L212 PolarHBondContact O-N 3.46Å; G208-L212 VanDerWaalsContact O-N 3.09Å; F209-L212 PolarHBondContact O-N 3.11Å; I210-L212 VanDerWaalsContact C-N 3.32Å; I210-L212 PolarHBondContact O-N 2.95Å; L212-L214 PolarHBondContact O-N 3.38Å; L212-T215 PolarHBondContact O-N 3.13Å; L212-H216 PolarHBondContact O-CD2 3.28Å; L212-H216 VanDerWaalsContact O-CD2 3.26Å; L212-H216 PolarHBondContact O-N 2.72Å; L212-H216 VanDerWaalsContact O-N 3.07Å
213A98.3Very high97.5Very high0 Ų034.7 Ų34.70%017%0.174CC..Hα-helixtrans-58.5-48.2177.300000111.8I104 F209 I210 R211 H216 G217 A218 L220 V290I104-A213 HydrophobicContact CD1-CB 3.96Å; F209-A213 PolarHBondContact O-N 3.08Å; I210-A213 WeakPolarHBondContact O-CB 3.41Å; I210-A213 PolarHBondContact O-N 3.43Å; R211-A213 VanDerWaalsContact C-N 3.35Å; R211-A213 PolarHBondContact O-N 3.07Å; A213-H216 PolarHBondContact O-N 3.38Å; A213-G217 WeakPolarHBondContact O-CA 3.35Å; A213-G217 PolarHBondContact O-N 3.19Å; A213-A218 WeakPolarHBondContact CB-O 3.37Å; A213-A218 PolarHBondContact O-N 2.99Å; A213-L220 HydrophobicContact CB-CD1 4.09Å; A213-L220 HydrophobicContact CB-CD2 3.67Å; A213-L220 HydrophobicContact CB-CG 3.71Å; A213-V290 HydrophobicContact CB-CG1 4.37Å; A213-V290 HydrophobicContact CB-CG2 4.34Å
214L98.6Very high97.6Very high12 Ų1234.8 Ų34.86%0.06317%0.174CC..Hα-helixtrans-63.2-47.6178.1-73162000111.9I210 R211 L212 H216 G217 V290 K292 T293 P296 E300 V301 L304I210-L214 HydrophobicContact CG2-CD1 4.16Å; I210-L214 PolarHBondContact O-N 2.86Å; R211-L214 PolarHBondContact O-N 3.23Å; L212-L214 PolarHBondContact O-N 3.38Å; L214-H216 PolarHBondContact O-N 3.36Å; L214-G217 PolarHBondContact O-N 2.98Å; L214-V290 HydrophobicContact CD2-CG1 3.78Å; L214-V290 HydrophobicContact CG-CG1 4.16Å; L214-K292 CarbonylContact O-C 3.4Å; L214-K292 VanDerWaalsContact O-CA 3.32Å; L214-K292 WeakPolarHBondContact O-CA 3.32Å; L214-T293 CarbonylContact C-O 3.58Å; L214-T293 PolarHBondContact O-N 3.22Å; L214-P296 HydrophobicContact CB-CB 3.82Å; L214-P296 HydrophobicContact CB-CG 4.09Å; L214-P296 HydrophobicContact CD1-CB 3.73Å; L214-P296 HydrophobicContact CD1-CG 4.5Å; L214-P296 HydrophobicContact CG-CB 4.34Å; L214-E300 HydrophobicContact CD1-CB 4.45Å; L214-V301 HydrophobicContact CD1-CB 4.43Å; L214-V301 HydrophobicContact CD1-CG2 3.77Å; L214-L304 HydrophobicContact CD1-CD2 4.16Å; L214-L304 HydrophobicContact CD2-CD2 3.84Å; L214-L304 HydrophobicContact CG-CD2 3.71Å
215T97.9Very high97.8Very high45 Ų4527.6 Ų27.628%0.27615%0.147SC..Hα-helixtrans-60.3-35.3-179.5-60.90000112.6R211 L212 K292 T293R211-T215 WeakPolarHBondContact O-CB 3.49Å; R211-T215 PolarHBondContact O-N 3.17Å; R211-T215 PolarHBondContact O-OG1 2.68Å; L212-T215 PolarHBondContact O-N 3.13Å; T215-K292 WeakPolarHBondContact O-CE 3.16Å; T215-T293 WeakPolarHBondContact CA-O 3.11Å
216H97.3Very high98Very high32 Ų3222.1 Ų22.115%0.14812%0.118CC..Hα-helixtrans-99.2-9.9-177.9-68.3-78.9000114.3L172 N173 L212 A213 L214 A218L172-H216 HydrophobicContact CB-CB 3.99Å; L172-H216 HydrophobicContact CD1-CB 4.1Å; N173-H216 PolarHBondContact ND2-CE1 3.02Å; N173-H216 PolarHBondContact OD1-ND1 3.11Å; L212-H216 PolarHBondContact O-CD2 3.28Å; L212-H216 VanDerWaalsContact O-CD2 3.26Å; L212-H216 PolarHBondContact O-N 2.72Å; L212-H216 VanDerWaalsContact O-N 3.07Å; A213-H216 PolarHBondContact O-N 3.38Å; L214-H216 PolarHBondContact O-N 3.36Å; H216-A218 HydrophobicContact CB-CB 4.39Å; H216-A218 PolarHBondContact O-N 3.45Å
217G97.4Very high98Very high22 Ų2218.5 Ų18.523%0.22711%0.108CC..THydrogen-bonded Turntrans64.229.8-171.700000112.8A213 L214A213-G217 WeakPolarHBondContact O-CA 3.35Å; A213-G217 PolarHBondContact O-N 3.19Å; L214-G217 PolarHBondContact O-N 2.98Å
218A98.2Very high97.9Very high3 Ų316 Ų163%0.02510%0.097CC..PPolyproline II helixtrans-91.9124.2-176.800000109.8I104 L172 A213 H216I104-A218 HydrophobicContact CD1-CB 4.33Å; I104-A218 HydrophobicContact CG1-CB 4.11Å; L172-A218 HydrophobicContact CD2-CB 3.83Å; A213-A218 WeakPolarHBondContact CB-O 3.37Å; A213-A218 PolarHBondContact O-N 2.99Å; H216-A218 HydrophobicContact CB-CB 4.39Å; H216-A218 PolarHBondContact O-N 3.45Å
219P98.6Very high97.9Very high2 Ų214.4 Ų14.41%0.0138%0.078CC..PPolyproline II helixtrans-61.3144.3177.4-23.234.5000112.1R101 N102 Y103 I104 P287 I288R101-P219 VanDerWaalsContact CZ-CG 3.41Å; N102-P219 VanDerWaalsContact O-CD 3.29Å; N102-P219 WeakPolarHBondContact O-CD 3.42Å; Y103-P219 HydrophobicContact CD1-CB 3.79Å; Y103-P219 HydrophobicContact CD1-CG 4.1Å; Y103-P219 HydrophobicContact CE1-CB 3.91Å; Y103-P219 HydrophobicContact CE1-CG 3.95Å; I104-P219 PolarHBondContact N-O 2.75Å; P219-P287 HydrophobicContact CB-CB 4.08Å; P219-I288 VanDerWaalsContact CA-O 3.25Å; P219-I288 WeakPolarHBondContact CA-O 3.25Å; P219-I288 WeakPolarHBondContact CB-O 3.41Å
220L98.8Very high97.7Very high0 Ų016.4 Ų16.40%09%0.089CC..EExtended strand (participates in β ladder)trans-90.4129.4177.8-71.1166.4000110.1I104 F209 I210 A213 P287 I288 V290 L304 Y308I104-L220 HydrophobicContact CB-CD2 4.06Å; I104-L220 HydrophobicContact CG2-CD2 4.03Å; I104-L220 CarbonylContact O-C 3.52Å; I104-L220 WeakPolarHBondContact O-CA 3.12Å; F209-L220 HydrophobicContact CD2-CD2 3.55Å; F209-L220 HydrophobicContact CE2-CD1 4.49Å; F209-L220 HydrophobicContact CE2-CD2 3.73Å; I210-L220 HydrophobicContact CD1-CD1 3.46Å; I210-L220 VanDerWaalsContact CD1-CD1 3.46Å; I210-L220 HydrophobicContact CD1-CD2 4.49Å; A213-L220 HydrophobicContact CB-CD1 4.09Å; A213-L220 HydrophobicContact CB-CD2 3.67Å; A213-L220 HydrophobicContact CB-CG 3.71Å; L220-P287 CarbonylContact O-C 3.4Å; L220-P287 WeakPolarHBondContact O-CA 3.49Å; L220-I288 HydrophobicContact CB-CB 4.23Å; L220-I288 PolarHBondContact N-O 3.22Å; L220-I288 PolarHBondContact O-N 2.96Å; L220-V290 HydrophobicContact CD1-CG2 4.36Å; L220-V290 HydrophobicContact CG-CG2 4.28Å; L220-L304 HydrophobicContact CD1-CD1 4.12Å; L220-L304 HydrophobicContact CD1-CD2 3.88Å; L220-L304 HydrophobicContact CD1-CG 3.89Å; L220-Y308 HydrophobicContact CB-CD2 4Å; L220-Y308 HydrophobicContact CB-CE2 4.32Å; L220-Y308 HydrophobicContact CD1-CD2 4.09Å; L220-Y308 HydrophobicContact CG-CD2 4.5Å
221V98.8Very high97.6Very high0 Ų016.6 Ų16.60%09%0.09CC..EExtended strand (participates in β ladder)trans-111.6106.7176-1780000108.1L97 Y103 I104 A105 G106 L180 I223 V284 P287L97-V221 HydrophobicContact CD2-CG2 4.06Å; Y103-V221 HydrophobicContact CD1-CG2 3.82Å; Y103-V221 HydrophobicContact CG-CG2 4.31Å; I104-V221 PolarHBondContact O-N 2.8Å; A105-V221 CarbonylContact C-O 3.53Å; A105-V221 VanDerWaalsContact CA-O 3.3Å; A105-V221 WeakPolarHBondContact CA-O 3.46Å; A105-V221 HydrophobicContact CB-CB 4.4Å; G106-V221 PolarHBondContact N-O 3.07Å; L180-V221 HydrophobicContact CD1-CG2 4.36Å; V221-I223 HydrophobicContact CG1-CG1 4.2Å; V221-V284 HydrophobicContact CG1-CG1 3.53Å; V221-P287 HydrophobicContact CG2-CB 4.18Å
222P98.7Very high97.5Very high3 Ų311.7 Ų11.72%0.0197%0.071CC..EExtended strand (participates in β ladder)trans-69.8131.1172.827.3-29.6000109.6G285 K286 Y308 E311 L312 L315P222-G285 WeakPolarHBondContact O-CA 3.47Å; P222-G285 PolarHBondContact O-N 3.39Å; P222-K286 WeakPolarHBondContact CD-O 3.46Å; P222-Y308 HydrophobicContact CB-CE2 3.94Å; P222-E311 HydrophobicContact CG-CB 4.4Å; P222-L312 HydrophobicContact CB-CB 4.32Å; P222-L312 HydrophobicContact CB-CD1 4.1Å; P222-L315 HydrophobicContact CB-CD2 4.48Å
223I98.8Very high97.3Very high2 Ų213 Ų131%0.018%0.078CC..EExtended strand (participates in β ladder)trans-125.8129.2175.9-59.2-175000108.4A105 G106 F107 H108 V221 T282 V283 V284A105-I223 HydrophobicContact CB-CD1 3.57Å; A105-I223 HydrophobicContact CB-CG1 4.24Å; G106-I223 PolarHBondContact O-N 2.84Å; F107-I223 HydrophobicContact CD2-CB 4.28Å; F107-I223 HydrophobicContact CD2-CG2 3.62Å; F107-I223 HydrophobicContact CE2-CG2 3.98Å; F107-I223 HydrophobicContact CG-CG2 4.41Å; H108-I223 PolarHBondContact CD2-O 3.16Å; H108-I223 PolarHBondContact N-O 3.13Å; V221-I223 HydrophobicContact CG1-CG1 4.2Å; I223-T282 HydrophobicContact CG2-CG2 3.27Å; I223-V283 WeakPolarHBondContact CA-O 3.41Å; I223-V284 HydrophobicContact CD1-CG1 4.35Å; I223-V284 HydrophobicContact CD1-CG2 4.2Å; I223-V284 HydrophobicContact CG1-CG1 4.2Å; I223-V284 HydrophobicContact CG1-CG2 4.34Å
224F98.6Very high96.9Very high2 Ų213.6 Ų13.61%0.0098%0.081CC..EExtended strand (participates in β ladder)trans-121.6132.5175.4-167.5-87.9000111.2H108 F199 L201 F226 T282 V283 L312 L315 F316 L331H108-F224 HydrophobicContact CB-CD2 4.11Å; H108-F224 CarbonylContact O-C 3.54Å; H108-F224 VanDerWaalsContact O-CA 3.28Å; H108-F224 WeakPolarHBondContact O-CA 3.39Å; F199-F224 AromaticContact CD1-CZ 3.97Å; F199-F224 HydrophobicContact CD1-CZ 3.97Å; F199-F224 HydrophobicContact CE1-CZ 4.39Å; L201-F224 HydrophobicContact CD1-CE2 4.21Å; L201-F224 HydrophobicContact CD2-CE2 4.42Å; F224-F226 HydrophobicContact CD1-CD1 4.01Å; F224-F226 AromaticContact CD1-CD2 3.75Å; F224-F226 HydrophobicContact CD1-CD2 3.75Å; F224-F226 AromaticContact CD1-CE1 3.84Å; F224-F226 HydrophobicContact CD1-CE1 3.84Å; F224-F226 AromaticContact CD1-CE2 3.57Å; F224-F226 HydrophobicContact CD1-CE2 3.57Å; F224-F226 AromaticContact CD1-CG 3.98Å; F224-F226 HydrophobicContact CD1-CG 3.98Å; F224-F226 AromaticContact CD1-CZ 3.62Å; F224-F226 HydrophobicContact CD1-CZ 3.62Å; F224-F226 AromaticContact CE1-CD1 3.58Å; F224-F226 HydrophobicContact CE1-CD1 3.58Å; F224-F226 HydrophobicContact CE1-CD2 4.14Å; F224-F226 AromaticContact CE1-CE1 3.59Å; F224-F226 HydrophobicContact CE1-CE1 3.59Å; F224-F226 HydrophobicContact CE1-CE2 4.15Å; F224-F226 AromaticContact CE1-CG 3.88Å; F224-F226 HydrophobicContact CE1-CG 3.88Å; F224-F226 AromaticContact CE1-CZ 3.89Å; F224-F226 HydrophobicContact CE1-CZ 3.89Å; F224-T282 CarbonylContact O-C 3.44Å; F224-T282 WeakPolarHBondContact O-CA 3.31Å; F224-V283 PolarHBondContact N-O 3.38Å; F224-V283 PolarHBondContact O-N 3.04Å; F224-L312 HydrophobicContact CB-CD1 4.24Å; F224-L312 HydrophobicContact CD2-CD1 4.31Å; F224-L315 HydrophobicContact CB-CD2 4.31Å; F224-F316 HydrophobicContact CD1-CD2 4.04Å; F224-F316 HydrophobicContact CD2-CD2 4.49Å; F224-F316 AromaticContact CE1-CD2 3.64Å; F224-F316 HydrophobicContact CE1-CD2 3.64Å; F224-F316 AromaticContact CE1-CE2 3.95Å; F224-F316 HydrophobicContact CE1-CE2 3.95Å; F224-F316 HydrophobicContact CE2-CD2 4.12Å; F224-F316 HydrophobicContact CG-CD2 4.46Å; F224-F316 AromaticContact CZ-CD2 3.69Å; F224-F316 HydrophobicContact CZ-CD2 3.69Å; F224-F316 AromaticContact CZ-CE2 3.89Å; F224-F316 HydrophobicContact CZ-CE2 3.89Å; F224-L331 HydrophobicContact CD2-CD2 4.41Å; F224-L331 HydrophobicContact CE2-CD1 4.48Å; F224-L331 HydrophobicContact CE2-CD2 3.6Å; F224-L331 HydrophobicContact CZ-CD2 3.99Å
225S98.3Very high96.4Very high1 Ų116.9 Ų16.91%0.00710%0.098CC..EExtended strand (participates in β ladder)trans-113.9104.2-178.2-161.50000111F107 H108 P109 E228 I280 T282F107-S225 VanDerWaalsContact CZ-CB 3.4Å; H108-S225 PolarHBondContact O-N 2.84Å; P109-S225 WeakPolarHBondContact CD-O 3.48Å; S225-E228 WeakPolarHBondContact CB-OE2 3.42Å; S225-E228 PolarHBondContact OG-OE2 2.77Å; S225-I280 WeakPolarHBondContact OG-CG2 3.33Å; S225-T282 PolarHBondContact OG-OG1 3.11Å
226F98Very high95.8Very high6 Ų620.1 Ų20.13%0.02612%0.12CC..EExtended strand (participates in β ladder)trans-73.9138.3174.2-63.6-86.9000110.2F224 E228 I280 T281 V283 F316 H319 K320 F323 I325F224-F226 HydrophobicContact CD1-CD1 4.01Å; F224-F226 AromaticContact CD1-CD2 3.75Å; F224-F226 HydrophobicContact CD1-CD2 3.75Å; F224-F226 AromaticContact CD1-CE1 3.84Å; F224-F226 HydrophobicContact CD1-CE1 3.84Å; F224-F226 AromaticContact CD1-CE2 3.57Å; F224-F226 HydrophobicContact CD1-CE2 3.57Å; F224-F226 AromaticContact CD1-CG 3.98Å; F224-F226 HydrophobicContact CD1-CG 3.98Å; F224-F226 AromaticContact CD1-CZ 3.62Å; F224-F226 HydrophobicContact CD1-CZ 3.62Å; F224-F226 AromaticContact CE1-CD1 3.58Å; F224-F226 HydrophobicContact CE1-CD1 3.58Å; F224-F226 HydrophobicContact CE1-CD2 4.14Å; F224-F226 AromaticContact CE1-CE1 3.59Å; F224-F226 HydrophobicContact CE1-CE1 3.59Å; F224-F226 HydrophobicContact CE1-CE2 4.15Å; F224-F226 AromaticContact CE1-CG 3.88Å; F224-F226 HydrophobicContact CE1-CG 3.88Å; F224-F226 AromaticContact CE1-CZ 3.89Å; F224-F226 HydrophobicContact CE1-CZ 3.89Å; F226-E228 VanDerWaalsContact C-N 3.32Å; F226-I280 WeakPolarHBondContact O-CA 3.38Å; F226-T281 PolarHBondContact N-O 3.14Å; F226-T281 PolarHBondContact O-N 2.67Å; F226-V283 HydrophobicContact CD2-CG2 4.13Å; F226-V283 HydrophobicContact CE2-CG2 3.87Å; F226-F316 HydrophobicContact CD1-CE2 4.43Å; F226-F316 AromaticContact CE1-CD2 3.58Å; F226-F316 HydrophobicContact CE1-CD2 3.58Å; F226-F316 AromaticContact CE1-CE2 3.61Å; F226-F316 HydrophobicContact CE1-CE2 3.61Å; F226-F316 AromaticContact CZ-CD2 3.83Å; F226-F316 HydrophobicContact CZ-CD2 3.83Å; F226-F316 HydrophobicContact CZ-CE2 4.33Å; F226-H319 HydrophobicContact CE2-CB 3.85Å; F226-H319 HydrophobicContact CZ-CB 3.88Å; F226-K320 HydrophobicContact CE1-CB 4.29Å; F226-F323 HydrophobicContact CB-CD1 4.46Å; F226-F323 HydrophobicContact CB-CD2 3.99Å; F226-F323 HydrophobicContact CB-CE2 4.26Å; F226-F323 HydrophobicContact CB-CG 4.09Å; F226-F323 HydrophobicContact CD1-CB 4.34Å; F226-F323 AromaticContact CD1-CD2 3.54Å; F226-F323 HydrophobicContact CD1-CD2 3.54Å; F226-F323 HydrophobicContact CD1-CE2 4.17Å; F226-F323 HydrophobicContact CD1-CG 4.15Å; F226-F323 AromaticContact CD2-CD2 3.52Å; F226-F323 HydrophobicContact CD2-CD2 3.52Å; F226-F323 AromaticContact CD2-CE2 3.23Å; F226-F323 HydrophobicContact CD2-CE2 3.23Å; F226-F323 HydrophobicContact CD2-CG 4.43Å; F226-F323 AromaticContact CD2-CZ 3.99Å; F226-F323 HydrophobicContact CD2-CZ 3.99Å; F226-F323 AromaticContact CE1-CD2 3.8Å; F226-F323 HydrophobicContact CE1-CD2 3.8Å; F226-F323 HydrophobicContact CE1-CE2 4.34Å; F226-F323 AromaticContact CE2-CD2 3.78Å; F226-F323 HydrophobicContact CE2-CD2 3.78Å; F226-F323 AromaticContact CE2-CE2 3.45Å; F226-F323 HydrophobicContact CE2-CE2 3.45Å; F226-F323 VanDerWaalsContact CE2-CE2 3.45Å; F226-F323 HydrophobicContact CE2-CZ 4.48Å; F226-F323 AromaticContact CG-CD2 3.39Å; F226-F323 HydrophobicContact CG-CD2 3.39Å; F226-F323 AromaticContact CG-CE2 3.63Å; F226-F323 HydrophobicContact CG-CE2 3.63Å; F226-F323 AromaticContact CG-CG 3.98Å; F226-F323 HydrophobicContact CG-CG 3.98Å; F226-F323 HydrophobicContact CG-CZ 4.41Å; F226-F323 AromaticContact CZ-CD2 3.9Å; F226-F323 HydrophobicContact CZ-CD2 3.9Å; F226-F323 HydrophobicContact CZ-CE2 4.01Å; F226-I325 HydrophobicContact CD1-CD1 3.51Å; F226-I325 HydrophobicContact CE1-CD1 3.61Å
227G96.3Very high95.1Very high13 Ų1318.7 Ų18.713%0.13411%0.113CC..THydrogen-bonded Turntrans86.1-7.7-179.600000115.3N229 D230G227-N229 VanDerWaalsContact C-N 3.32Å; G227-N229 PolarHBondContact O-N 3.4Å; G227-D230 WeakPolarHBondContact CA-OD2 3.25Å; G227-D230 PolarHBondContact O-N 2.86Å; G227-D230 VanDerWaalsContact O-N 3.11Å
228E95.5Very high94.5Very high2 Ų221.7 Ų21.71%0.00913%0.131CC..G310 helixtrans-61.6-37.8-176.9-163.374.3-13900113P109 A114 A115 G116 S225 F226 D230 L231P109-E228 HydrophobicContact CG-CB 3.95Å; P109-E228 HydrophobicContact CG-CG 4.4Å; A114-E228 VanDerWaalsContact CA-OE1 3.3Å; A114-E228 WeakPolarHBondContact CA-OE1 3.42Å; A115-E228 PolarHBondContact N-OE1 2.58Å; G116-E228 VanDerWaalsContact CA-OE2 3.23Å; G116-E228 WeakPolarHBondContact CA-OE2 3.48Å; G116-E228 PolarHBondContact N-OE1 2.87Å; G116-E228 PolarHBondContact N-OE2 3.03Å; S225-E228 WeakPolarHBondContact CB-OE2 3.42Å; S225-E228 PolarHBondContact OG-OE2 2.77Å; F226-E228 VanDerWaalsContact C-N 3.32Å; E228-D230 VanDerWaalsContact C-N 3.34Å; E228-L231 WeakPolarHBondContact O-CG 3.3Å
229N95.6Very high93.6Very high13 Ų1326.7 Ų26.77%0.0717%0.165CC..G310 helixtrans-80.8-12.5178.4-76.5-17.1000113.4G111 R195 S198 G227 L231G111-N229 WeakPolarHBondContact CA-OD1 3.32Å; R195-N229 CarbonylContact C-O 3.56Å; R195-N229 WeakPolarHBondContact O-CB 3.41Å; S198-N229 PolarHBondContact O-ND2 2.82Å; G227-N229 VanDerWaalsContact C-N 3.32Å; G227-N229 PolarHBondContact O-N 3.4Å; N229-L231 VanDerWaalsContact C-N 3.31Å; N229-L231 PolarHBondContact O-N 3.32Å
230D95.2Very high92.8Very high52 Ų5229.9 Ų29.928%0.27820%0.199SC..G310 helixtrans-88.6-0.5-175.1-56.7-32000112.8P196 G197 G227 E228 F232 R278P196-D230 WeakPolarHBondContact CA-OD1 3.46Å; G197-D230 PolarHBondContact N-OD1 3.46Å; G227-D230 WeakPolarHBondContact CA-OD2 3.25Å; G227-D230 PolarHBondContact O-N 2.86Å; G227-D230 VanDerWaalsContact O-N 3.11Å; E228-D230 VanDerWaalsContact C-N 3.34Å; D230-F232 VanDerWaalsContact C-N 3.31Å; D230-F232 PolarHBondContact O-N 2.87Å; D230-R278 HydrophobicContact CB-CB 4.47Å; D230-R278 HydrophobicContact CB-CG 4.28Å
231L95.9Very high92.3Very high4 Ų431.4 Ų31.42%0.02121%0.209CC..G310 helixtrans-74.6-22-174.4-59.4-170.5000113.4F87 A115 E228 N229 P275 Y276 R278 I280F87-L231 HydrophobicContact CD1-CD1 4.48Å; F87-L231 HydrophobicContact CD1-CD2 3.67Å; F87-L231 HydrophobicContact CE1-CD1 4.09Å; F87-L231 HydrophobicContact CE1-CD2 3.75Å; F87-L231 HydrophobicContact CE1-CG 4.42Å; A115-L231 HydrophobicContact CB-CD1 3.75Å; E228-L231 WeakPolarHBondContact O-CG 3.3Å; N229-L231 VanDerWaalsContact C-N 3.31Å; N229-L231 PolarHBondContact O-N 3.32Å; L231-P275 HydrophobicContact CB-CB 4.34Å; L231-P275 CarbonylContact O-C 3.29Å; L231-P275 WeakPolarHBondContact O-CA 3.42Å; L231-Y276 WeakPolarHBondContact O-CD2 3.31Å; L231-Y276 PolarHBondContact O-N 2.79Å; L231-R278 HydrophobicContact CD2-CB 4.09Å; L231-I280 HydrophobicContact CD1-CD1 3.73Å; L231-I280 HydrophobicContact CD2-CD1 4Å; L231-I280 HydrophobicContact CD2-CG1 4.06Å; L231-I280 HydrophobicContact CG-CD1 4.38Å
232F95.1Very high91.7Very high2 Ų241.1 Ų41.11%0.00925%0.246CC..  trans-147.1151-176.4-66-80.5000110.8V112 L113 P196 D230 F261 P275V112-F232 HydrophobicContact CB-CD2 3.64Å; V112-F232 HydrophobicContact CB-CE2 4.07Å; V112-F232 HydrophobicContact CB-CG 4.36Å; V112-F232 HydrophobicContact CG1-CD2 4.1Å; V112-F232 HydrophobicContact CG1-CE2 4.26Å; V112-F232 HydrophobicContact CG2-CB 3.98Å; V112-F232 HydrophobicContact CG2-CD2 3.93Å; V112-F232 HydrophobicContact CG2-CG 4.26Å; L113-F232 HydrophobicContact CB-CE2 4.46Å; L113-F232 HydrophobicContact CD1-CE2 3.76Å; L113-F232 HydrophobicContact CD1-CZ 3.57Å; L113-F232 HydrophobicContact CG-CE2 3.79Å; L113-F232 HydrophobicContact CG-CZ 4.06Å; P196-F232 WeakPolarHBondContact CD-O 3.46Å; P196-F232 WeakPolarHBondContact CG-O 3.48Å; D230-F232 VanDerWaalsContact C-N 3.31Å; D230-F232 PolarHBondContact O-N 2.87Å; F232-F261 HydrophobicContact CB-CB 4.21Å; F232-F261 HydrophobicContact CB-CD2 4.5Å; F232-F261 AromaticContact CD1-CD2 3.45Å; F232-F261 HydrophobicContact CD1-CD2 3.45Å; F232-F261 VanDerWaalsContact CD1-CD2 3.45Å; F232-F261 AromaticContact CD1-CE2 3.99Å; F232-F261 HydrophobicContact CD1-CE2 3.99Å; F232-F261 HydrophobicContact CD1-CG 4.36Å; F232-F261 AromaticContact CE1-CD2 3.57Å; F232-F261 HydrophobicContact CE1-CD2 3.57Å; F232-F261 AromaticContact CE1-CE2 3.59Å; F232-F261 HydrophobicContact CE1-CE2 3.59Å; F232-F261 AromaticContact CG-CD2 3.97Å; F232-F261 HydrophobicContact CG-CD2 3.97Å; F232-F261 HydrophobicContact CZ-CD2 4.19Å; F232-F261 AromaticContact CZ-CE2 3.93Å; F232-F261 HydrophobicContact CZ-CE2 3.93Å; F232-P275 HydrophobicContact CE1-CB 4.25Å; F232-P275 HydrophobicContact CE1-CG 3.97Å; F232-P275 HydrophobicContact CE2-CB 4.14Å; F232-P275 HydrophobicContact CE2-CG 3.78Å; F232-P275 HydrophobicContact CZ-CB 3.9Å; F232-P275 HydrophobicContact CZ-CG 3.31Å
233D93.1Very high91.1Very high56 Ų5642.8 Ų42.830%0.29926%0.255SS..EExtended strand (participates in β ladder)trans-89.6152.9160.8-63.6-47.9000109.2F261 H262 Y276D233-F261 CarbonylContact O-C 3.5Å; D233-F261 WeakPolarHBondContact O-CA 3.48Å; D233-F261 VanDerWaalsContact O-CB 3.31Å; D233-F261 WeakPolarHBondContact O-CB 3.44Å; D233-H262 VanDerWaalsContact CB-CE1 3.47Å; D233-H262 WeakPolarHBondContact CB-CE1 3.3Å; D233-H262 WeakPolarHBondContact CB-NE2 3.2Å; D233-H262 PolarHBondContact N-O 2.97Å; D233-H262 PolarHBondContact O-N 3.37Å; D233-H262 IonicContact OD2-CE1 3.17Å; D233-H262 PolarHBondContact OD2-CE1 3.25Å; D233-H262 VanDerWaalsContact OD2-CE1 3.32Å; D233-H262 IonicContact OD2-ND1 2.66Å; D233-Y276 WeakPolarHBondContact OD2-CE2 3.19Å; D233-Y276 VanDerWaalsContact OD2-CZ 3.29Å; D233-Y276 PolarHBondContact OD2-OH 2.87Å
234Q91Very high90.5Very high13 Ų1343.3 Ų43.36%0.06126%0.257CS..EExtended strand (participates in β ladder)trans-120141173.2-73.4-161.753.800111A191 L192 A194 R195 L260 F261A191-Q234 PolarHBondContact O-NE2 3.46Å; L192-Q234 PolarHBondContact O-OE1 3.49Å; A194-Q234 PolarHBondContact O-NE2 3.45Å; R195-Q234 VanDerWaalsContact CZ-CB 3.43Å; Q234-L260 WeakPolarHBondContact CA-O 3.43Å; Q234-F261 HydrophobicContact CG-CB 4.03Å
235I87.1Confident89.8Confident81 Ų8146.5 Ų46.542%0.41528%0.278SS..  trans-56.3133.2170.1-59-172.2000108R195 N237 L243 L260R195-I235 PolarHBondContact NH2-O 3.29Å; I235-N237 PolarHBondContact O-N 3.21Å; I235-N237 VanDerWaalsContact O-N 3.09Å; I235-L243 HydrophobicContact CG2-CD2 4.39Å; I235-L260 HydrophobicContact CB-CB 4.07Å; I235-L260 HydrophobicContact CD1-CB 3.83Å; I235-L260 HydrophobicContact CD1-CD1 4.21Å; I235-L260 HydrophobicContact CG1-CB 4.01Å; I235-L260 PolarHBondContact N-O 3.4Å
236P85.2Confident89.1Confident113 Ų11349.3 Ų49.373%0.73429%0.293SS*.  trans-50119.6177.2-28.735.6000111.7
237N83.7Confident88.5Confident3 Ų349.2 Ų49.22%0.01629%0.293CS..  trans-137.553.4-177.167-19.9000109.6L192 R195 I235 L243 R244 Q247L192-N237 PolarHBondContact O-ND2 2.85Å; L192-N237 VanDerWaalsContact O-ND2 3.12Å; R195-N237 VanDerWaalsContact CZ-OD1 3.31Å; R195-N237 PolarHBondContact NH1-OD1 2.76Å; R195-N237 VanDerWaalsContact NH1-OD1 3.14Å; R195-N237 PolarHBondContact NH2-OD1 2.93Å; I235-N237 PolarHBondContact O-N 3.21Å; I235-N237 VanDerWaalsContact O-N 3.09Å; N237-L243 HydrophobicContact CB-CD2 3.83Å; N237-L243 HydrophobicContact CB-CG 4.19Å; N237-R244 PolarHBondContact ND2-NE 3.44Å; N237-R244 PolarHBondContact ND2-NH2 2.95Å; N237-R244 VanDerWaalsContact ND2-NH2 3.12Å; N237-R244 PolarHBondContact O-NE 3.19Å; N237-R244 PolarHBondContact O-NH2 3.14Å; N237-R244 PolarHBondContact OD1-NH2 3.44Å; N237-Q247 PolarHBondContact ND2-OE1 3.27Å
238S84.3Confident88Confident84 Ų8451.2 Ų51.259%0.58730%0.3SS*.  trans-54.1149.8-178.4530000112.4G240 S241 R244S238-G240 PolarHBondContact O-N 3.49Å; S238-S241 VanDerWaalsContact O-CB 3.25Å; S238-S241 WeakPolarHBondContact O-CB 3.48Å; S238-S241 PolarHBondContact O-N 3.49Å; S238-S241 PolarHBondContact O-OG 3.45Å; S238-R244 WeakPolarHBondContact O-CB 3.28Å
239S80.3Confident87.4Confident108 Ų10859.7 Ų59.776%0.75533%0.332SS*.THydrogen-bonded Turntrans-54.4128.5174.2-66.60000110.7
240G81.4Confident86.7Confident70 Ų7061.7 Ų61.772%0.72234%0.342SS*.THydrogen-bonded Turntrans90.7-11.2-175.900000115.1S238S238-G240 PolarHBondContact O-N 3.49Å
241S87.4Confident86.2Confident31 Ų3160.8 Ų60.822%0.21734%0.337CS..  trans-66.7151.4172.666.60000112.1S238 L243 R244 C245S238-S241 VanDerWaalsContact O-CB 3.25Å; S238-S241 WeakPolarHBondContact O-CB 3.48Å; S238-S241 PolarHBondContact O-N 3.49Å; S238-S241 PolarHBondContact O-OG 3.45Å; S241-L243 VanDerWaalsContact C-N 3.27Å; S241-L243 PolarHBondContact O-N 2.73Å; S241-R244 PolarHBondContact O-N 3.35Å; S241-R244 VanDerWaalsContact O-N 3.13Å; S241-R244 VanDerWaalsContact OG-CB 3.28Å; S241-R244 WeakPolarHBondContact OG-CB 3.47Å; S241-R244 PolarHBondContact OG-N 3.01Å; S241-C245 PolarHBondContact O-N 3.15Å; S241-C245 PolarHBondContact O-SG 2.85Å; S241-C245 VanDerWaalsContact O-SG 3.36Å
242W87.3Confident85.5Confident205 Ų20568.9 Ų68.978%0.77737%0.371SS*.Hα-helixtrans-56.7-41.8176.3179.284000112.4R244 C245 I246W242-R244 PolarHBondContact O-N 3.2Å; W242-C245 WeakPolarHBondContact O-CB 3.36Å; W242-C245 PolarHBondContact O-N 2.72Å; W242-I246 HydrophobicContact CD2-CD1 3.73Å; W242-I246 HydrophobicContact CE3-CD1 3.82Å; W242-I246 HydrophobicContact CH2-CD1 3.33Å; W242-I246 HydrophobicContact CZ2-CD1 3.23Å; W242-I246 HydrophobicContact CZ3-CD1 3.62Å; W242-I246 PolarHBondContact O-N 3.11Å
243L84.4Confident84.7Confident38 Ų3874.5 Ų74.520%0.19940%0.4CS..Hα-helixtrans-58.7-48.5175.317659.7000111.5I235 N237 S241 C245 I246 Q247 L260I235-L243 HydrophobicContact CG2-CD2 4.39Å; N237-L243 HydrophobicContact CB-CD2 3.83Å; N237-L243 HydrophobicContact CB-CG 4.19Å; S241-L243 VanDerWaalsContact C-N 3.27Å; S241-L243 PolarHBondContact O-N 2.73Å; L243-C245 VanDerWaalsContact C-N 3.31Å; L243-C245 PolarHBondContact O-N 3.16Å; L243-I246 PolarHBondContact O-N 2.98Å; L243-Q247 HydrophobicContact CD1-CG 4.25Å; L243-Q247 WeakPolarHBondContact O-CG 3.42Å; L243-Q247 PolarHBondContact O-N 2.93Å; L243-L260 HydrophobicContact CD1-CD1 3.66Å; L243-L260 HydrophobicContact CD1-CG 4.37Å; L243-L260 HydrophobicContact CD2-CD1 3.92Å; L243-L260 HydrophobicContact CG-CD1 4.44Å
244R86.6Confident83.7Confident12 Ų1276.7 Ų76.75%0.04541%0.41CS..Hα-helixtrans-63.8-37.4178.2-178.359.769.5132.88.4111.8L192 D193 N237 S238 S241 W242 I246 Q247 N248L192-R244 PolarHBondContact O-NH2 3.38Å; D193-R244 VanDerWaalsContact CG-NH1 3.32Å; D193-R244 IonicContact OD1-CZ 2.59Å; D193-R244 IonicContact OD1-NH1 2.82Å; D193-R244 PolarHBondContact OD1-NH1 2.99Å; D193-R244 IonicContact OD1-NH2 3.36Å; D193-R244 PolarHBondContact OD1-NH2 3.36Å; D193-R244 IonicContact OD2-NH1 3.95Å; D193-R244 PolarHBondContact OD2-NH1 3.43Å; D193-R244 VanDerWaalsContact OD2-NH1 3.16Å; N237-R244 PolarHBondContact ND2-NE 3.44Å; N237-R244 PolarHBondContact ND2-NH2 2.95Å; N237-R244 VanDerWaalsContact ND2-NH2 3.12Å; N237-R244 PolarHBondContact O-NE 3.19Å; N237-R244 PolarHBondContact O-NH2 3.14Å; N237-R244 PolarHBondContact OD1-NH2 3.44Å; S238-R244 WeakPolarHBondContact O-CB 3.28Å; S241-R244 PolarHBondContact O-N 3.35Å; S241-R244 VanDerWaalsContact O-N 3.13Å; S241-R244 VanDerWaalsContact OG-CB 3.28Å; S241-R244 WeakPolarHBondContact OG-CB 3.47Å; S241-R244 PolarHBondContact OG-N 3.01Å; W242-R244 PolarHBondContact O-N 3.2Å; R244-I246 VanDerWaalsContact C-N 3.34Å; R244-I246 PolarHBondContact O-N 3.16Å; R244-Q247 PolarHBondContact O-N 3.16Å; R244-N248 VanDerWaalsContact O-CB 3.29Å; R244-N248 WeakPolarHBondContact O-CB 3.45Å; R244-N248 PolarHBondContact O-N 3.39Å; R244-N248 PolarHBondContact O-ND2 3.41Å
245C83.8Confident83Confident69 Ų6977.6 Ų77.647%0.46642%0.423SS..Hα-helixtrans-59.9-43.5174.8-71.40000111.9S241 W242 L243 R249S241-C245 PolarHBondContact O-N 3.15Å; S241-C245 PolarHBondContact O-SG 2.85Å; S241-C245 VanDerWaalsContact O-SG 3.36Å; W242-C245 WeakPolarHBondContact O-CB 3.36Å; W242-C245 PolarHBondContact O-N 2.72Å; L243-C245 VanDerWaalsContact C-N 3.31Å; L243-C245 PolarHBondContact O-N 3.16Å; C245-R249 WeakPolarHBondContact O-CB 3.18Å; C245-R249 PolarHBondContact O-N 3.06Å
246I84.5Confident82.5Confident61 Ų6175.4 Ų75.431%0.31341%0.412SS..Hα-helixtrans-65-49.3175.2-70.4175000111.1W242 L243 R244 N248 R249 L250W242-I246 HydrophobicContact CD2-CD1 3.73Å; W242-I246 HydrophobicContact CE3-CD1 3.82Å; W242-I246 HydrophobicContact CH2-CD1 3.33Å; W242-I246 HydrophobicContact CZ2-CD1 3.23Å; W242-I246 HydrophobicContact CZ3-CD1 3.62Å; W242-I246 PolarHBondContact O-N 3.11Å; L243-I246 PolarHBondContact O-N 2.98Å; R244-I246 VanDerWaalsContact C-N 3.34Å; R244-I246 PolarHBondContact O-N 3.16Å; I246-N248 VanDerWaalsContact C-N 3.31Å; I246-N248 PolarHBondContact O-N 2.91Å; I246-R249 PolarHBondContact O-N 3.25Å; I246-R249 VanDerWaalsContact O-N 3.1Å; I246-L250 HydrophobicContact CG2-CD1 3.87Å; I246-L250 HydrophobicContact CG2-CG 4.26Å; I246-L250 WeakPolarHBondContact O-CG 3.24Å; I246-L250 PolarHBondContact O-N 3.09Å
247Q85.5Confident82.2Confident4 Ų470.9 Ų70.92%0.01938%0.383CS..Hα-helixtrans-57.3-45.4179.5-72.5175.6-41.600111.4L192 N237 L243 R244 R249 L250 Q251 L258L192-Q247 HydrophobicContact CD1-CB 4.05Å; L192-Q247 HydrophobicContact CD2-CB 4.1Å; L192-Q247 HydrophobicContact CD2-CG 4.24Å; N237-Q247 PolarHBondContact ND2-OE1 3.27Å; L243-Q247 HydrophobicContact CD1-CG 4.25Å; L243-Q247 WeakPolarHBondContact O-CG 3.42Å; L243-Q247 PolarHBondContact O-N 2.93Å; R244-Q247 PolarHBondContact O-N 3.16Å; Q247-R249 PolarHBondContact O-N 3.26Å; Q247-L250 PolarHBondContact O-N 3.3Å; Q247-Q251 VanDerWaalsContact O-CB 3.23Å; Q247-Q251 WeakPolarHBondContact O-CB 3.41Å; Q247-Q251 PolarHBondContact O-N 3.01Å; Q247-L258 PolarHBondContact NE2-O 3.5Å
248N85.1Confident82.1Confident54 Ų5475.2 Ų75.229%0.28941%0.405SS..Hα-helixtrans-64.6-38.1176.6-72.1-14.6000112.2R244 I246 K252R244-N248 VanDerWaalsContact O-CB 3.29Å; R244-N248 WeakPolarHBondContact O-CB 3.45Å; R244-N248 PolarHBondContact O-N 3.39Å; R244-N248 PolarHBondContact O-ND2 3.41Å; I246-N248 VanDerWaalsContact C-N 3.31Å; I246-N248 PolarHBondContact O-N 2.91Å; N248-K252 WeakPolarHBondContact O-CB 3.33Å; N248-K252 VanDerWaalsContact O-CG 3.31Å; N248-K252 WeakPolarHBondContact O-CG 3.19Å; N248-K252 PolarHBondContact O-N 3.4Å
249R83.4Confident82.1Confident180 Ų18072.1 Ų72.168%0.67938%0.383SS*.Hα-helixtrans-66.5-47.1177.2-174.1178-179.2-171.50.5111.4C245 I246 Q247 Q251 K252 I253C245-R249 WeakPolarHBondContact O-CB 3.18Å; C245-R249 PolarHBondContact O-N 3.06Å; I246-R249 PolarHBondContact O-N 3.25Å; I246-R249 VanDerWaalsContact O-N 3.1Å; Q247-R249 PolarHBondContact O-N 3.26Å; R249-Q251 VanDerWaalsContact C-N 3.34Å; R249-K252 PolarHBondContact O-N 2.95Å; R249-I253 HydrophobicContact CG-CD1 3.87Å; R249-I253 VanDerWaalsContact O-CG1 3.31Å; R249-I253 WeakPolarHBondContact O-CG1 3.45Å; R249-I253 PolarHBondContact O-N 3.49Å; R249-I253 VanDerWaalsContact O-N 3.09Å
250L81.3Confident82.4Confident55 Ų5570.6 Ų70.629%0.28837%0.366SS..Hα-helixtrans-62.3-42.6176.9-68.6177000111.3I246 Q247 K252 I253 M254 L258I246-L250 HydrophobicContact CG2-CD1 3.87Å; I246-L250 HydrophobicContact CG2-CG 4.26Å; I246-L250 WeakPolarHBondContact O-CG 3.24Å; I246-L250 PolarHBondContact O-N 3.09Å; Q247-L250 PolarHBondContact O-N 3.3Å; L250-K252 PolarHBondContact O-N 2.88Å; L250-I253 PolarHBondContact O-N 3.24Å; L250-M254 HydrophobicContact CD2-SD 4.22Å; L250-M254 WeakPolarHBondContact O-CB 3.5Å; L250-M254 PolarHBondContact O-N 3.17Å; L250-L258 HydrophobicContact CD1-CD1 3.92Å
251Q83.9Confident82.9Confident34 Ų3468.6 Ų68.616%0.15934%0.338CS..Hα-helixtrans-62.6-39.1177-176.5-99.93.700112.7A188 Q247 R249 G255 I256A188-Q251 HydrophobicContact CB-CG 4.5Å; Q247-Q251 VanDerWaalsContact O-CB 3.23Å; Q247-Q251 WeakPolarHBondContact O-CB 3.41Å; Q247-Q251 PolarHBondContact O-N 3.01Å; R249-Q251 VanDerWaalsContact C-N 3.34Å; Q251-G255 WeakPolarHBondContact O-CA 3.48Å; Q251-G255 PolarHBondContact O-N 3.06Å; Q251-I256 WeakPolarHBondContact CA-O 3.41Å; Q251-I256 PolarHBondContact N-O 3.13Å
252K81.7Confident83.1Confident173 Ų17370.2 Ų70.275%0.75234%0.342SS*.Hα-helixtrans-66.9-37174.2-75.7177.6-178-177.10113.6N248 R249 L250N248-K252 WeakPolarHBondContact O-CB 3.33Å; N248-K252 VanDerWaalsContact O-CG 3.31Å; N248-K252 WeakPolarHBondContact O-CG 3.19Å; N248-K252 PolarHBondContact O-N 3.4Å; R249-K252 PolarHBondContact O-N 2.95Å; L250-K252 PolarHBondContact O-N 2.88Å
253I77.3Confident83.4Confident120 Ų12060.5 Ų60.562%0.61531%0.305SS*.Hα-helixtrans-80.6-47.6-176.6-66167.8000111.2R249 L250R249-I253 HydrophobicContact CG-CD1 3.87Å; R249-I253 VanDerWaalsContact O-CG1 3.31Å; R249-I253 WeakPolarHBondContact O-CG1 3.45Å; R249-I253 PolarHBondContact O-N 3.49Å; R249-I253 VanDerWaalsContact O-N 3.09Å; L250-I253 PolarHBondContact O-N 3.24Å
254M73.5Confident83.9Confident103 Ų10359.2 Ų59.251%0.50730%0.297SS..Hα-helixtrans-101.5-13.9-168.3-58.4179.568.900113L250 I256L250-M254 HydrophobicContact CD2-SD 4.22Å; L250-M254 WeakPolarHBondContact O-CB 3.5Å; L250-M254 PolarHBondContact O-N 3.17Å; M254-I256 HydrophobicContact CB-CB 4.41Å; M254-I256 HydrophobicContact CE-CD1 4.45Å; M254-I256 PolarHBondContact O-N 2.84Å
255G75.1Confident84.1Confident31 Ų3159.1 Ų59.132%0.3230%0.3SS..SBendtrans70.53-17000000114Q251Q251-G255 WeakPolarHBondContact O-CA 3.48Å; Q251-G255 PolarHBondContact O-N 3.06Å
256I77Confident84.4Confident36 Ų3658.2 Ų58.219%0.18529%0.292CS..  trans-106.8129.6-179.7-62165.1000109.3L142 L144 Q251 M254 L258L142-I256 HydrophobicContact CD2-CD1 4.34Å; L142-I256 HydrophobicContact CD2-CG1 3.45Å; L142-I256 VanDerWaalsContact CD2-CG1 3.45Å; L144-I256 HydrophobicContact CD2-CD1 3.55Å; L144-I256 HydrophobicContact CD2-CG1 4.35Å; Q251-I256 WeakPolarHBondContact CA-O 3.41Å; Q251-I256 PolarHBondContact N-O 3.13Å; M254-I256 HydrophobicContact CB-CB 4.41Å; M254-I256 HydrophobicContact CE-CD1 4.45Å; M254-I256 PolarHBondContact O-N 2.84Å; I256-L258 HydrophobicContact CG2-CD2 4.04Å; I256-L258 HydrophobicContact CG2-CG 4.49Å
257S78.6Confident84.6Confident18 Ų1863.3 Ų63.313%0.12631%0.312CS..  trans-87.2136164.252.90000110.5A188 P259A188-S257 WeakPolarHBondContact CA-OG 3.46Å; A188-S257 WeakPolarHBondContact CB-OG 3.19Å; A188-S257 WeakPolarHBondContact O-CB 3.3Å; A188-S257 PolarHBondContact O-OG 2.98Å; S257-P259 WeakPolarHBondContact O-CD 2.98Å
258L81.4Confident84.8Confident94 Ų9464.2 Ų64.249%0.49232%0.316SS..  trans-110.377.6171.2-62.9177.2000109.3Q247 L250 I256 L260Q247-L258 PolarHBondContact NE2-O 3.5Å; L250-L258 HydrophobicContact CD1-CD1 3.92Å; I256-L258 HydrophobicContact CG2-CD2 4.04Å; I256-L258 HydrophobicContact CG2-CG 4.49Å; L258-L260 PolarHBondContact O-N 3.32Å
259P83.8Confident84.9Confident18 Ų1864.2 Ų64.212%0.11731%0.313CS..  trans-61.1134.2170.725.3-30.2000108.9V112 L192 S257 F261V112-P259 HydrophobicContact CG1-CG 4.11Å; L192-P259 HydrophobicContact CD2-CB 4.18Å; S257-P259 WeakPolarHBondContact O-CD 2.98Å; P259-F261 HydrophobicContact CB-CD1 4.1Å; P259-F261 HydrophobicContact CG-CD1 3.89Å; P259-F261 HydrophobicContact CG-CE1 4.2Å; P259-F261 VanDerWaalsContact O-CD1 3.25Å; P259-F261 WeakPolarHBondContact O-CD1 3.47Å; P259-F261 PolarHBondContact O-N 3.47Å
260L87.8Confident84.9Confident76 Ų7657.7 Ų57.740%0.39830%0.295SS..  trans-90.3100.3169.3-63.4-174.1000106.9Q234 I235 L243 L258Q234-L260 WeakPolarHBondContact CA-O 3.43Å; I235-L260 HydrophobicContact CB-CB 4.07Å; I235-L260 HydrophobicContact CD1-CB 3.83Å; I235-L260 HydrophobicContact CD1-CD1 4.21Å; I235-L260 HydrophobicContact CG1-CB 4.01Å; I235-L260 PolarHBondContact N-O 3.4Å; L243-L260 HydrophobicContact CD1-CD1 3.66Å; L243-L260 HydrophobicContact CD1-CG 4.37Å; L243-L260 HydrophobicContact CD2-CD1 3.92Å; L243-L260 HydrophobicContact CG-CD1 4.44Å; L258-L260 PolarHBondContact O-N 3.32Å
261F91.2Very high85.3Confident29 Ų2960.9 Ų60.913%0.12731%0.306CS..EExtended strand (participates in β ladder)trans-121.5158.5-175.562.9-94.2000111.5L28 V112 L113 F232 D233 Q234 P259 L273L28-F261 HydrophobicContact CD1-CZ 4.27Å; L28-F261 HydrophobicContact CD2-CZ 4.43Å; V112-F261 HydrophobicContact CG1-CB 4.31Å; V112-F261 HydrophobicContact CG1-CD1 3.32Å; V112-F261 HydrophobicContact CG1-CD2 4.13Å; V112-F261 HydrophobicContact CG1-CE1 3.48Å; V112-F261 VanDerWaalsContact CG1-CE1 3.48Å; V112-F261 HydrophobicContact CG1-CE2 4.26Å; V112-F261 HydrophobicContact CG1-CG 3.67Å; V112-F261 HydrophobicContact CG1-CZ 3.95Å; V112-F261 HydrophobicContact CG2-CB 4.44Å; L113-F261 HydrophobicContact CD2-CZ 4.39Å; F232-F261 HydrophobicContact CB-CB 4.21Å; F232-F261 HydrophobicContact CB-CD2 4.5Å; F232-F261 AromaticContact CD1-CD2 3.45Å; F232-F261 HydrophobicContact CD1-CD2 3.45Å; F232-F261 VanDerWaalsContact CD1-CD2 3.45Å; F232-F261 AromaticContact CD1-CE2 3.99Å; F232-F261 HydrophobicContact CD1-CE2 3.99Å; F232-F261 HydrophobicContact CD1-CG 4.36Å; F232-F261 AromaticContact CE1-CD2 3.57Å; F232-F261 HydrophobicContact CE1-CD2 3.57Å; F232-F261 AromaticContact CE1-CE2 3.59Å; F232-F261 HydrophobicContact CE1-CE2 3.59Å; F232-F261 AromaticContact CG-CD2 3.97Å; F232-F261 HydrophobicContact CG-CD2 3.97Å; F232-F261 HydrophobicContact CZ-CD2 4.19Å; F232-F261 AromaticContact CZ-CE2 3.93Å; F232-F261 HydrophobicContact CZ-CE2 3.93Å; D233-F261 CarbonylContact O-C 3.5Å; D233-F261 WeakPolarHBondContact O-CA 3.48Å; D233-F261 VanDerWaalsContact O-CB 3.31Å; D233-F261 WeakPolarHBondContact O-CB 3.44Å; Q234-F261 HydrophobicContact CG-CB 4.03Å; P259-F261 HydrophobicContact CB-CD1 4.1Å; P259-F261 HydrophobicContact CG-CD1 3.89Å; P259-F261 HydrophobicContact CG-CE1 4.2Å; P259-F261 VanDerWaalsContact O-CD1 3.25Å; P259-F261 WeakPolarHBondContact O-CD1 3.47Å; P259-F261 PolarHBondContact O-N 3.47Å; F261-L273 HydrophobicContact CE2-CD2 4.11Å
262H92.7Very high85.7Confident65 Ų6560.2 Ų60.230%0.30131%0.309SS..EExtended strand (participates in β ladder)trans-138.3150.1165.769.388.1000110.2D233 G272 Y276D233-H262 VanDerWaalsContact CB-CE1 3.47Å; D233-H262 WeakPolarHBondContact CB-CE1 3.3Å; D233-H262 WeakPolarHBondContact CB-NE2 3.2Å; D233-H262 PolarHBondContact N-O 2.97Å; D233-H262 PolarHBondContact O-N 3.37Å; D233-H262 IonicContact OD2-CE1 3.17Å; D233-H262 PolarHBondContact OD2-CE1 3.25Å; D233-H262 VanDerWaalsContact OD2-CE1 3.32Å; D233-H262 IonicContact OD2-ND1 2.66Å; H262-G272 CarbonylContact C-O 3.59Å; H262-G272 WeakPolarHBondContact CA-O 3.4Å; H262-Y276 PolarHBondContact ND1-OH 2.86Å
263G93.4Very high86.2Confident0 Ų056.6 Ų56.60%030%0.297CS..  trans-124.7-124.1163.700000107.8F271 G272 I274G263-F271 CarbonylContact O-C 3.58Å; G263-F271 VanDerWaalsContact O-C 3.29Å; G263-F271 WeakPolarHBondContact O-CA 3.42Å; G263-G272 PolarHBondContact N-O 3.36Å; G263-G272 PolarHBondContact O-N 2.87Å; G263-I274 CarbonylContact C-O 3.5Å; G263-I274 WeakPolarHBondContact CA-O 3.34Å
264R93.6Very high87.1Confident12 Ų1251.1 Ų51.15%0.04527%0.269CS..BIsolated β-bridgetrans-107.9170.6176.962.2173.5-154.392.73.8113T17 Y86 F271 G272 L273 I274 Y276T17-R264 VanDerWaalsContact CG2-NH2 3.27Å; T17-R264 PolarHBondContact OG1-NH2 3.13Å; T17-R264 VanDerWaalsContact OG1-NH2 3.16Å; Y86-R264 PolarHBondContact OH-NE 2.89Å; Y86-R264 PolarHBondContact OH-NH2 2.76Å; R264-F271 CarbonylContact C-O 3.55Å; R264-F271 VanDerWaalsContact C-O 3.22Å; R264-G272 CarbonylContact O-C 3.5Å; R264-G272 VanDerWaalsContact O-CA 3.31Å; R264-G272 WeakPolarHBondContact O-CA 3.42Å; R264-L273 PolarHBondContact O-N 3.28Å; R264-I274 HydrophobicContact CG-CB 4.11Å; R264-I274 HydrophobicContact CG-CG2 4Å; R264-I274 WeakPolarHBondContact CG-O 3.34Å; R264-I274 PolarHBondContact N-O 2.91Å; R264-I274 VanDerWaalsContact O-CB 3.31Å; R264-I274 WeakPolarHBondContact O-CB 3.47Å; R264-I274 PolarHBondContact O-N 2.95Å; R264-Y276 HydrophobicContact CB-CD1 4.36Å; R264-Y276 HydrophobicContact CB-CE1 4.36Å
265G92Very high88.2Confident9 Ų946.2 Ų46.29%0.09325%0.245CC..  trans-87.2174.4170.400000112Q268 F271G265-Q268 CarbonylContact C-O 3.44Å; G265-Q268 VanDerWaalsContact C-O 3.31Å; G265-Q268 VanDerWaalsContact CA-O 3.23Å; G265-Q268 WeakPolarHBondContact CA-O 3.46Å; G265-Q268 PolarHBondContact N-O 2.91Å; G265-F271 WeakPolarHBondContact CA-O 3.3Å; G265-F271 PolarHBondContact N-O 2.85Å
266V89.8Confident89.2Confident51 Ų5146.8 Ų46.831%0.30924%0.238SC..SBendtrans-68.6-44.8172.1179.70000110.3T17 L21 I274T17-V266 HydrophobicContact CG2-CG1 4.36Å; L21-V266 HydrophobicContact CD1-CG2 4.21Å; L21-V266 HydrophobicContact CD2-CG2 4.24Å; V266-I274 HydrophobicContact CG2-CG1 4.11Å
267F88.6Confident90.1Very high167 Ų16748 Ų4873%0.73224%0.24SC*.SBendtrans-110.23.7-174.7-52.3-65.8000114.6A5A5-F267 WeakPolarHBondContact CB-O 3.15Å; A5-F267 PolarHBondContact N-O 2.66Å
268Q89.4Confident91Very high23 Ų2353.7 Ų53.711%0.10726%0.259CS..BIsolated β-bridgetrans-148.8162.417555.674.411.200110.5V2 E3 F4 G265 F271V2-Q268 HydrophobicContact CG1-CB 3.86Å; V2-Q268 HydrophobicContact CG1-CG 4.01Å; E3-Q268 CarbonylContact O-C 3.53Å; E3-Q268 VanDerWaalsContact O-CA 3.31Å; E3-Q268 WeakPolarHBondContact O-CA 3.41Å; E3-Q268 WeakPolarHBondContact O-CB 3.25Å; F4-Q268 HydrophobicContact CD1-CB 3.98Å; F4-Q268 HydrophobicContact CE1-CB 4.43Å; G265-Q268 CarbonylContact C-O 3.44Å; G265-Q268 VanDerWaalsContact C-O 3.31Å; G265-Q268 VanDerWaalsContact CA-O 3.23Å; G265-Q268 WeakPolarHBondContact CA-O 3.46Å; G265-Q268 PolarHBondContact N-O 2.91Å; Q268-F271 PolarHBondContact NE2-O 3.24Å; Q268-F271 VanDerWaalsContact OE1-N 3.11Å; Q268-F271 PolarHBondContact OE1-O 2.62Å
269Y88.4Confident91.7Very high54 Ų5453.2 Ų53.221%0.21226%0.261CS..SBendtrans-109.2-1.7-168.4-57.7-28000115.3E3 A5 P6E3-Y269 HydrophobicContact CG-CD2 4.26Å; E3-Y269 PolarHBondContact O-N 2.98Å; A5-Y269 HydrophobicContact CB-CE1 3.78Å; A5-Y269 HydrophobicContact CB-CE2 4.41Å; A5-Y269 WeakPolarHBondContact CB-OH 2.99Å; P6-Y269 WeakPolarHBondContact CD-OH 3.07Å
270S83.6Confident92.4Very high43 Ų4352.4 Ų52.430%0.30126%0.256SS..SBendtrans-91.3-31.5-171.5-53.90000115.5M1 V2 E3M1-S270 PolarHBondContact O-OG 3.44Å; V2-S270 WeakPolarHBondContact CA-OG 3.36Å; E3-S270 PolarHBondContact N-OG 2.76Å
271F88Confident92.9Very high122 Ų12249.6 Ų49.654%0.53524%0.242SC..SBendtrans-158.4155.8179.263.9-88.6000112.1V2 G263 R264 G265 Q268V2-F271 HydrophobicContact CG2-CE1 4.13Å; G263-F271 CarbonylContact O-C 3.58Å; G263-F271 VanDerWaalsContact O-C 3.29Å; G263-F271 WeakPolarHBondContact O-CA 3.42Å; R264-F271 CarbonylContact C-O 3.55Å; R264-F271 VanDerWaalsContact C-O 3.22Å; G265-F271 WeakPolarHBondContact CA-O 3.3Å; G265-F271 PolarHBondContact N-O 2.85Å; Q268-F271 PolarHBondContact NE2-O 3.24Å; Q268-F271 VanDerWaalsContact OE1-N 3.11Å; Q268-F271 PolarHBondContact OE1-O 2.62Å
272G92.1Very high93.3Very high20 Ų2048.3 Ų48.321%0.20624%0.236CC..SBendtrans148.8-166.317300000112.3H262 G263 R264H262-G272 CarbonylContact C-O 3.59Å; H262-G272 WeakPolarHBondContact CA-O 3.4Å; G263-G272 PolarHBondContact N-O 3.36Å; G263-G272 PolarHBondContact O-N 2.87Å; R264-G272 CarbonylContact O-C 3.5Å; R264-G272 VanDerWaalsContact O-CA 3.31Å; R264-G272 WeakPolarHBondContact O-CA 3.42Å
273L93.8Very high93.6Very high98 Ų9845.2 Ų45.251%0.51322%0.222SC..SBendtrans-102.7-0.9-176.8-59.5178.2000113.1V24 L28 F261 R264 P275V24-L273 HydrophobicContact CG1-CB 4.36Å; L28-L273 HydrophobicContact CD1-CD1 4.29Å; F261-L273 HydrophobicContact CE2-CD2 4.11Å; R264-L273 PolarHBondContact O-N 3.28Å; L273-P275 WeakPolarHBondContact O-CD 3.37Å
274I95.8Very high93.8Very high4 Ų445.3 Ų45.32%0.02122%0.223CC..BIsolated β-bridgetrans-84.6126177.9-62.7-67.4000108.9V20 L21 V24 Y86 G263 R264 V266V20-I274 HydrophobicContact CG1-CG2 4.15Å; L21-I274 HydrophobicContact CB-CD1 3.79Å; L21-I274 HydrophobicContact CD1-CD1 3.78Å; L21-I274 HydrophobicContact CG-CD1 4.39Å; V24-I274 HydrophobicContact CG2-CD1 4.47Å; Y86-I274 WeakPolarHBondContact OH-CG2 3.23Å; G263-I274 CarbonylContact C-O 3.5Å; G263-I274 WeakPolarHBondContact CA-O 3.34Å; R264-I274 HydrophobicContact CG-CB 4.11Å; R264-I274 HydrophobicContact CG-CG2 4Å; R264-I274 WeakPolarHBondContact CG-O 3.34Å; R264-I274 PolarHBondContact N-O 2.91Å; R264-I274 VanDerWaalsContact O-CB 3.31Å; R264-I274 WeakPolarHBondContact O-CB 3.47Å; R264-I274 PolarHBondContact O-N 2.95Å; V266-I274 HydrophobicContact CG2-CG1 4.11Å
275P96.1Very high94Very high1 Ų144.9 Ų44.91%0.00622%0.222CC..PPolyproline II helixtrans-48.5147.9173.5-27.127.3000114V20 V24 Y86 F87 L231 F232 L273V20-P275 HydrophobicContact CG1-CB 4.46Å; V20-P275 HydrophobicContact CG1-CG 3.78Å; V24-P275 HydrophobicContact CG2-CG 4.13Å; Y86-P275 PolarHBondContact OH-O 3.32Å; F87-P275 HydrophobicContact CE1-CB 3.42Å; F87-P275 VanDerWaalsContact CE1-CB 3.42Å; F87-P275 HydrophobicContact CE1-CG 4.15Å; F87-P275 HydrophobicContact CZ-CB 3.52Å; F87-P275 HydrophobicContact CZ-CG 3.72Å; L231-P275 HydrophobicContact CB-CB 4.34Å; L231-P275 CarbonylContact O-C 3.29Å; L231-P275 WeakPolarHBondContact O-CA 3.42Å; F232-P275 HydrophobicContact CE1-CB 4.25Å; F232-P275 HydrophobicContact CE1-CG 3.97Å; F232-P275 HydrophobicContact CE2-CB 4.14Å; F232-P275 HydrophobicContact CE2-CG 3.78Å; F232-P275 HydrophobicContact CZ-CB 3.9Å; F232-P275 HydrophobicContact CZ-CG 3.31Å; L273-P275 WeakPolarHBondContact O-CD 3.37Å
276Y96.7Very high94.3Very high42 Ų4251.6 Ų51.617%0.16525%0.249CC..PPolyproline II helixtrans-63.6151166.7-60.7-58.6000111.3F87 L231 D233 H262 R264 R278F87-Y276 WeakPolarHBondContact CE1-O 3.31Å; L231-Y276 WeakPolarHBondContact O-CD2 3.31Å; L231-Y276 PolarHBondContact O-N 2.79Å; D233-Y276 WeakPolarHBondContact OD2-CE2 3.19Å; D233-Y276 VanDerWaalsContact OD2-CZ 3.29Å; D233-Y276 PolarHBondContact OD2-OH 2.87Å; H262-Y276 PolarHBondContact ND1-OH 2.86Å; R264-Y276 HydrophobicContact CB-CD1 4.36Å; R264-Y276 HydrophobicContact CB-CE1 4.36Å; Y276-R278 PolarHBondContact O-N 2.83Å
277R95.7Very high94.7Very high63 Ų6350.1 Ų50.124%0.23824%0.24CC..  trans-80.484.4176.1-72.2174.4170.3-93.9-0109.4R13 T17 Y86R13-R277 PolarHBondContact O-NH2 2.95Å; T17-R277 PolarHBondContact OG1-NH2 3.2Å; Y86-R277 HydrophobicContact CD1-CG 3.99Å; Y86-R277 HydrophobicContact CD2-CG 4.1Å; Y86-R277 HydrophobicContact CE1-CB 4.37Å; Y86-R277 HydrophobicContact CE1-CG 3.53Å; Y86-R277 HydrophobicContact CE2-CG 3.64Å; Y86-R277 VanDerWaalsContact CE2-NE 3.33Å; Y86-R277 HydrophobicContact CG-CG 4.27Å
278R96.3Very high95.2Very high137 Ų13742.4 Ų42.452%0.51721%0.206SC..  trans-120.4145.1178.3-60.2-62.8-173.7178.80.4110.6F87 D230 L231 Y276F87-R278 CarbonylContact C-O 3.49Å; F87-R278 VanDerWaalsContact CA-O 3.29Å; F87-R278 WeakPolarHBondContact CA-O 3.38Å; F87-R278 VanDerWaalsContact O-O 3.05Å; D230-R278 HydrophobicContact CB-CB 4.47Å; D230-R278 HydrophobicContact CB-CG 4.28Å; L231-R278 HydrophobicContact CD2-CB 4.09Å; Y276-R278 PolarHBondContact O-N 2.83Å
279P97.3Very high95.6Very high84 Ų8445.7 Ų45.755%0.54522%0.221SC..  trans-63.1139.5176.427-33.5000111.1F87F87-P279 CarbonylContact O-C 3.31Å; F87-P279 WeakPolarHBondContact O-CA 3.19Å
280I98.3Very high96.1Very high0 Ų043.8 Ų43.80%022%0.215CC..  trans-119.3125.4170.8-56.1169.5000108.7F87 I89 S90 A115 S225 F226 L231F87-I280 HydrophobicContact CB-CD1 3.82Å; F87-I280 HydrophobicContact CB-CG1 4.11Å; F87-I280 HydrophobicContact CD1-CD1 4.07Å; F87-I280 HydrophobicContact CD2-CD1 4.44Å; F87-I280 HydrophobicContact CG-CD1 3.9Å; F87-I280 PolarHBondContact O-N 2.79Å; I89-I280 CarbonylContact C-O 3.54Å; I89-I280 VanDerWaalsContact CA-O 3.27Å; I89-I280 WeakPolarHBondContact CA-O 3.43Å; I89-I280 HydrophobicContact CD1-CD1 4.29Å; I89-I280 HydrophobicContact CG1-CB 4.25Å; I89-I280 HydrophobicContact CG1-CD1 4.29Å; I89-I280 HydrophobicContact CG2-CB 4.36Å; I89-I280 HydrophobicContact CG2-CG2 4.47Å; S90-I280 PolarHBondContact N-O 3.06Å; A115-I280 HydrophobicContact CB-CD1 4.19Å; S225-I280 WeakPolarHBondContact OG-CG2 3.33Å; F226-I280 WeakPolarHBondContact O-CA 3.38Å; L231-I280 HydrophobicContact CD1-CD1 3.73Å; L231-I280 HydrophobicContact CD2-CD1 4Å; L231-I280 HydrophobicContact CD2-CG1 4.06Å; L231-I280 HydrophobicContact CG-CD1 4.38Å
281T98.4Very high96.7Very high17 Ų1749.7 Ų49.710%0.10424%0.238CC..EExtended strand (participates in β ladder)trans-126.2114.2174.3-60.30000110.3S90 V92 F226 V283 F323S90-T281 WeakPolarHBondContact OG-CB 3.36Å; S90-T281 WeakPolarHBondContact OG-CG2 3.44Å; S90-T281 PolarHBondContact OG-OG1 3.12Å; V92-T281 HydrophobicContact CG2-CG2 3.86Å; F226-T281 PolarHBondContact N-O 3.14Å; F226-T281 PolarHBondContact O-N 2.67Å; T281-V283 HydrophobicContact CG2-CG2 4.46Å; T281-F323 HydrophobicContact CG2-CE1 3.69Å; T281-F323 HydrophobicContact CG2-CE2 4.45Å; T281-F323 HydrophobicContact CG2-CZ 3.38Å
282T98.7Very high97.1Very high2 Ų249.5 Ų49.51%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-98.2123.1178.3-58.30000109.9S90 L91 V92 F107 N120 I223 F224 S225S90-T282 PolarHBondContact O-N 3.36Å; L91-T282 CarbonylContact C-O 3.6Å; L91-T282 WeakPolarHBondContact CA-O 3.27Å; L91-T282 HydrophobicContact CD1-CG2 3.99Å; V92-T282 PolarHBondContact N-O 3.29Å; F107-T282 HydrophobicContact CE2-CG2 3.78Å; F107-T282 HydrophobicContact CZ-CG2 4.49Å; N120-T282 WeakPolarHBondContact ND2-CB 3.15Å; N120-T282 PolarHBondContact ND2-OG1 3.2Å; I223-T282 HydrophobicContact CG2-CG2 3.27Å; F224-T282 CarbonylContact O-C 3.44Å; F224-T282 WeakPolarHBondContact O-CA 3.31Å; S225-T282 PolarHBondContact OG-OG1 3.11Å
283V98.7Very high97.3Very high0 Ų050.3 Ų50.30%024%0.238CC..EExtended strand (participates in β ladder)trans-105.4123.5177.2-170.60000109.1V92 T94 I223 F224 F226 T281 L315V92-V283 HydrophobicContact CB-CB 4.48Å; V92-V283 HydrophobicContact CB-CG1 4.31Å; V92-V283 HydrophobicContact CB-CG2 4.2Å; V92-V283 HydrophobicContact CG1-CG1 4.28Å; T94-V283 HydrophobicContact CG2-CG1 3.62Å; I223-V283 WeakPolarHBondContact CA-O 3.41Å; F224-V283 PolarHBondContact N-O 3.38Å; F224-V283 PolarHBondContact O-N 3.04Å; F226-V283 HydrophobicContact CD2-CG2 4.13Å; F226-V283 HydrophobicContact CE2-CG2 3.87Å; T281-V283 HydrophobicContact CG2-CG2 4.46Å; V283-L315 HydrophobicContact CG1-CD1 3.74Å; V283-L315 HydrophobicContact CG1-CG 4.26Å
284V98.8Very high97.2Very high3 Ų351.2 Ų51.22%0.01824%0.243CC..EExtended strand (participates in β ladder)trans-94.7116.3176-175.40000108.7L91 V92 T94 F132 V221 I223L91-V284 HydrophobicContact CD1-CG2 3.66Å; V92-V284 PolarHBondContact O-N 3.14Å; T94-V284 WeakPolarHBondContact CB-O 3.47Å; T94-V284 WeakPolarHBondContact CG2-O 3.07Å; T94-V284 PolarHBondContact N-O 2.99Å; T94-V284 VanDerWaalsContact N-O 3.15Å; T94-V284 PolarHBondContact OG1-O 2.88Å; F132-V284 HydrophobicContact CE1-CG1 4.34Å; F132-V284 HydrophobicContact CE2-CB 4.4Å; F132-V284 HydrophobicContact CE2-CG1 4.44Å; F132-V284 HydrophobicContact CE2-CG2 4.03Å; F132-V284 HydrophobicContact CZ-CB 3.81Å; F132-V284 HydrophobicContact CZ-CG1 3.73Å; F132-V284 HydrophobicContact CZ-CG2 3.96Å; V221-V284 HydrophobicContact CG1-CG1 3.53Å; I223-V284 HydrophobicContact CD1-CG1 4.35Å; I223-V284 HydrophobicContact CD1-CG2 4.2Å; I223-V284 HydrophobicContact CG1-CG1 4.2Å; I223-V284 HydrophobicContact CG1-CG2 4.34Å
285G98.3Very high97.2Very high2 Ų259.2 Ų59.22%0.02128%0.28CS..PPolyproline II helixtrans-75.6173.5-179.100000114.1T94 P222T94-G285 VanDerWaalsContact OG1-CA 3.28Å; T94-G285 WeakPolarHBondContact OG1-CA 3.49Å; P222-G285 WeakPolarHBondContact O-CA 3.47Å; P222-G285 PolarHBondContact O-N 3.39Å
286K98.1Very high97.2Very high151 Ų15160.5 Ų60.566%0.65729%0.288SS*.PPolyproline II helixtrans-68.8139.6175.5-173.2178.9178176.40110.8T94 A95 P222 I288T94-K286 PolarHBondContact OG1-N 2.92Å; A95-K286 HydrophobicContact CB-CB 4.08Å; A95-K286 HydrophobicContact CB-CG 4Å; P222-K286 WeakPolarHBondContact CD-O 3.46Å; K286-I288 PolarHBondContact O-N 3.4Å
287P98.4Very high97.2Very high20 Ų2061.1 Ų61.113%0.1330%0.299CS..PPolyproline II helixtrans-61.7133.1173.824.6-33.9000111.4L97 Y103 P219 L220 V221L97-P287 HydrophobicContact CD2-CB 4.34Å; L97-P287 HydrophobicContact CD2-CG 4.08Å; Y103-P287 HydrophobicContact CD1-CB 4.35Å; Y103-P287 HydrophobicContact CE1-CB 3.95Å; P219-P287 HydrophobicContact CB-CB 4.08Å; L220-P287 CarbonylContact O-C 3.4Å; L220-P287 WeakPolarHBondContact O-CA 3.49Å; V221-P287 HydrophobicContact CG2-CB 4.18Å
288I98.7Very high97.3Very high5 Ų562.7 Ų62.73%0.02631%0.309CS..BIsolated β-bridgetrans-92.3117.3172.4-52.9175.7000107.1P219 L220 K286 L304 R307 Y308 E311P219-I288 VanDerWaalsContact CA-O 3.25Å; P219-I288 WeakPolarHBondContact CA-O 3.25Å; P219-I288 WeakPolarHBondContact CB-O 3.41Å; L220-I288 HydrophobicContact CB-CB 4.23Å; L220-I288 PolarHBondContact N-O 3.22Å; L220-I288 PolarHBondContact O-N 2.96Å; K286-I288 PolarHBondContact O-N 3.4Å; I288-L304 HydrophobicContact CG2-CD1 4.06Å; I288-R307 HydrophobicContact CG2-CG 4.21Å; I288-Y308 HydrophobicContact CD1-CD2 3.96Å; I288-E311 HydrophobicContact CD1-CB 3.8Å; I288-E311 HydrophobicContact CD1-CG 3.76Å; I288-E311 HydrophobicContact CG1-CB 4.39Å; I288-E311 HydrophobicContact CG1-CG 4.08Å
289E98Very high97.4Very high91 Ų9161.3 Ų61.343%0.42531%0.308SS..PPolyproline II helixtrans-65.1136.6179.7-65.9-58.214900111.9R101R101-E289 IonicContact CZ-OE1 3.33Å; R101-E289 IonicContact CZ-OE2 2.62Å; R101-E289 VanDerWaalsContact NH1-CD 3.33Å; R101-E289 IonicContact NH1-OE1 3.6Å; R101-E289 PolarHBondContact NH1-OE1 3.01Å; R101-E289 IonicContact NH1-OE2 3.65Å; R101-E289 PolarHBondContact NH1-OE2 3.12Å; R101-E289 VanDerWaalsContact NH1-OE2 3.11Å; R101-E289 IonicContact NH2-OE1 3.58Å; R101-E289 IonicContact NH2-OE2 3.11Å; R101-E289 PolarHBondContact NH2-OE2 2.66Å
290V98Very high97.4Very high14 Ų1460.5 Ų60.59%0.08530%0.297CS..  trans-130.8123-176.8-178.50000109A213 L214 L220 L304A213-V290 HydrophobicContact CB-CG1 4.37Å; A213-V290 HydrophobicContact CB-CG2 4.34Å; L214-V290 HydrophobicContact CD2-CG1 3.78Å; L214-V290 HydrophobicContact CG-CG1 4.16Å; L220-V290 HydrophobicContact CD1-CG2 4.36Å; L220-V290 HydrophobicContact CG-CG2 4.28Å; V290-L304 HydrophobicContact CB-CD2 4.47Å; V290-L304 HydrophobicContact CG1-CD2 3.89Å; V290-L304 HydrophobicContact CG2-CD1 4.14Å; V290-L304 HydrophobicContact CG2-CD2 3.73Å
291Q96.2Very high97.4Very high167 Ų16760.5 Ų60.578%0.7830%0.297SS*.  trans-80.2135.7171.1-172171.17.500109.5T293Q291-T293 PolarHBondContact O-N 2.97Å
292K96.8Very high97.4Very high118 Ų11861.8 Ų61.851%0.51330%0.303SS..  trans-71.2124.8-178.8-172.1174.1178.7176.30110.9L214 T215L214-K292 CarbonylContact O-C 3.4Å; L214-K292 VanDerWaalsContact O-CA 3.32Å; L214-K292 WeakPolarHBondContact O-CA 3.32Å; T215-K292 WeakPolarHBondContact O-CE 3.16Å
293T95.9Very high97.4Very high37 Ų3766.8 Ų66.823%0.22733%0.327CS..  trans-130.9118.3173.4-56.40000108.8L214 T215 Q291 H295 P296 E300L214-T293 CarbonylContact C-O 3.58Å; L214-T293 PolarHBondContact O-N 3.22Å; T215-T293 WeakPolarHBondContact CA-O 3.11Å; Q291-T293 PolarHBondContact O-N 2.97Å; T293-H295 VanDerWaalsContact C-N 3.31Å; T293-H295 PolarHBondContact O-N 3.12Å; T293-P296 HydrophobicContact CG2-CB 4.48Å; T293-P296 WeakPolarHBondContact O-CD 3.49Å; T293-E300 PolarHBondContact OG1-OE1 2.89Å
294L92.9Very high97.4Very high118 Ų11867.5 Ų67.562%0.61833%0.331SS*.SBendtrans-64.1-36.3-175.8-68.3176.3000112.8
295H94.8Very high97.4Very high171 Ų17167.8 Ų67.879%0.79233%0.331SS*.SBendtrans-126.475.8179.4-59.4-63.9000109.2T293 S297T293-H295 VanDerWaalsContact C-N 3.31Å; T293-H295 PolarHBondContact O-N 3.12Å; H295-S297 PolarHBondContact O-N 3.42Å
296P96.2Very high97.4Very high28 Ų2874.1 Ų74.118%0.18236%0.361CS..  trans-65128.4-176.127.4-33000110.1L214 T293 V301L214-P296 HydrophobicContact CB-CB 3.82Å; L214-P296 HydrophobicContact CB-CG 4.09Å; L214-P296 HydrophobicContact CD1-CB 3.73Å; L214-P296 HydrophobicContact CD1-CG 4.5Å; L214-P296 HydrophobicContact CG-CB 4.34Å; T293-P296 HydrophobicContact CG2-CB 4.48Å; T293-P296 WeakPolarHBondContact O-CD 3.49Å; P296-V301 HydrophobicContact CB-CG2 4.03Å; P296-V301 HydrophobicContact CG-CG2 4.41Å
297S97.6Very high97.5Very high55 Ų5572.8 Ų72.839%0.38535%0.351SS..  trans-67157.1172.764.60000110.9H295 E299 E300 V301H295-S297 PolarHBondContact O-N 3.42Å; S297-E299 PolarHBondContact O-N 3.16Å; S297-E300 WeakPolarHBondContact CB-OE2 3.25Å; S297-E300 PolarHBondContact N-OE2 3.24Å; S297-E300 PolarHBondContact O-N 2.88Å; S297-E300 VanDerWaalsContact OG-CG 3.3Å; S297-E300 WeakPolarHBondContact OG-CG 3.23Å; S297-E300 PolarHBondContact OG-N 3.46Å; S297-E300 PolarHBondContact OG-OE2 2.87Å; S297-V301 VanDerWaalsContact O-CG2 3.27Å; S297-V301 WeakPolarHBondContact O-CG2 3.12Å; S297-V301 PolarHBondContact O-N 2.79Å; S297-V301 VanDerWaalsContact O-N 3.08Å
298E97.8Very high97.5Very high96 Ų9671.8 Ų71.845%0.44935%0.345SS..Hα-helixtrans-59.4-31.3175.5-68.1-60.6151.500112.1R211 V301 N302R211-E298 IonicContact CZ-OE1 3.74Å; R211-E298 IonicContact CZ-OE2 2.71Å; R211-E298 IonicContact NH1-OE1 2.62Å; R211-E298 PolarHBondContact NH1-OE1 2.9Å; R211-E298 IonicContact NH2-OE1 3.48Å; R211-E298 PolarHBondContact NH2-OE1 2.76Å; R211-E298 IonicContact NH2-OE2 3.38Å; R211-E298 PolarHBondContact NH2-OE2 3.36Å; E298-V301 PolarHBondContact O-N 3.46Å; E298-N302 WeakPolarHBondContact O-CB 3.41Å; E298-N302 PolarHBondContact O-N 2.91Å; E298-N302 PolarHBondContact O-ND2 2.82Å; E298-N302 VanDerWaalsContact O-ND2 3.1Å; E298-N302 PolarHBondContact O-OD1 3.28Å
299E97.9Very high97.5Very high109 Ų10973.1 Ų73.151%0.50935%0.352SS..Hα-helixtrans-67.8-48.1178.8-175.855.3-156.700111.8S297 V301 N302 Q303S297-E299 PolarHBondContact O-N 3.16Å; E299-V301 VanDerWaalsContact C-N 3.27Å; E299-V301 PolarHBondContact O-N 3.49Å; E299-N302 PolarHBondContact O-N 3.23Å; E299-N302 VanDerWaalsContact O-N 3.13Å; E299-Q303 VanDerWaalsContact O-CG 3.31Å; E299-Q303 WeakPolarHBondContact O-CG 3.29Å; E299-Q303 PolarHBondContact O-N 3.13Å; E299-Q303 PolarHBondContact OE1-NE2 3.07Å
300E97.7Very high97.5Very high67 Ų6775.1 Ų75.131%0.31336%0.359SS..Hα-helixtrans-58.9-40.7174.1-70.8165.1116.400111.6L214 T293 S297 L304L214-E300 HydrophobicContact CD1-CB 4.45Å; T293-E300 PolarHBondContact OG1-OE1 2.89Å; S297-E300 WeakPolarHBondContact CB-OE2 3.25Å; S297-E300 PolarHBondContact N-OE2 3.24Å; S297-E300 PolarHBondContact O-N 2.88Å; S297-E300 VanDerWaalsContact OG-CG 3.3Å; S297-E300 WeakPolarHBondContact OG-CG 3.23Å; S297-E300 PolarHBondContact OG-N 3.46Å; S297-E300 PolarHBondContact OG-OE2 2.87Å; E300-L304 WeakPolarHBondContact O-CB 3.22Å; E300-L304 PolarHBondContact O-N 3.27Å
301V98.6Very high97.5Very high0 Ų077.7 Ų77.70%037%0.37CS..Hα-helixtrans-63-44.2176.1174.80000110.7K207 I210 R211 L214 P296 S297 E298 E299 H305K207-V301 HydrophobicContact CB-CG1 3.79Å; K207-V301 HydrophobicContact CD-CG1 4.15Å; K207-V301 HydrophobicContact CG-CG1 4.29Å; I210-V301 HydrophobicContact CB-CG1 4.29Å; I210-V301 HydrophobicContact CG2-CG1 4.01Å; I210-V301 WeakPolarHBondContact CG2-O 3.3Å; R211-V301 HydrophobicContact CG-CG1 3.99Å; R211-V301 HydrophobicContact CG-CG2 3.63Å; L214-V301 HydrophobicContact CD1-CB 4.43Å; L214-V301 HydrophobicContact CD1-CG2 3.77Å; P296-V301 HydrophobicContact CB-CG2 4.03Å; P296-V301 HydrophobicContact CG-CG2 4.41Å; S297-V301 VanDerWaalsContact O-CG2 3.27Å; S297-V301 WeakPolarHBondContact O-CG2 3.12Å; S297-V301 PolarHBondContact O-N 2.79Å; S297-V301 VanDerWaalsContact O-N 3.08Å; E298-V301 PolarHBondContact O-N 3.46Å; E299-V301 VanDerWaalsContact C-N 3.27Å; E299-V301 PolarHBondContact O-N 3.49Å; V301-H305 WeakPolarHBondContact O-CB 3.18Å; V301-H305 PolarHBondContact O-N 3.47Å
302N98.4Very high97.6Very high43 Ų4369.7 Ų69.723%0.2333%0.333CS..Hα-helixtrans-65.5-44.9179.5-70.7-25.8000111.9K207 E298 E299 H305 Q306K207-N302 WeakPolarHBondContact CE-OD1 3.29Å; K207-N302 PolarHBondContact NZ-OD1 3.41Å; E298-N302 WeakPolarHBondContact O-CB 3.41Å; E298-N302 PolarHBondContact O-N 2.91Å; E298-N302 PolarHBondContact O-ND2 2.82Å; E298-N302 VanDerWaalsContact O-ND2 3.1Å; E298-N302 PolarHBondContact O-OD1 3.28Å; E299-N302 PolarHBondContact O-N 3.23Å; E299-N302 VanDerWaalsContact O-N 3.13Å; N302-H305 PolarHBondContact O-N 3.24Å; N302-Q306 WeakPolarHBondContact O-CB 3.39Å; N302-Q306 WeakPolarHBondContact O-CG 3.23Å; N302-Q306 PolarHBondContact O-N 2.91Å
303Q98.3Very high97.7Very high107 Ų10765.7 Ų65.750%0.532%0.319SS..Hα-helixtrans-61.7-48.1178.6-71.21766.200111.4E299 H305 Q306 R307E299-Q303 VanDerWaalsContact O-CG 3.31Å; E299-Q303 WeakPolarHBondContact O-CG 3.29Å; E299-Q303 PolarHBondContact O-N 3.13Å; E299-Q303 PolarHBondContact OE1-NE2 3.07Å; Q303-H305 VanDerWaalsContact C-N 3.34Å; Q303-H305 PolarHBondContact O-N 3.01Å; Q303-Q306 PolarHBondContact O-N 2.96Å; Q303-R307 PolarHBondContact O-N 3.44Å
304L98.7Very high97.8Very high16 Ų1667.5 Ų67.58%0.08433%0.328CS..Hα-helixtrans-66.4-37.4177.4-177.658.6000111.9I210 L214 L220 I288 V290 E300 R307 Y308I210-L304 HydrophobicContact CG2-CB 3.86Å; I210-L304 HydrophobicContact CG2-CD2 3.82Å; I210-L304 HydrophobicContact CG2-CG 3.88Å; L214-L304 HydrophobicContact CD1-CD2 4.16Å; L214-L304 HydrophobicContact CD2-CD2 3.84Å; L214-L304 HydrophobicContact CG-CD2 3.71Å; L220-L304 HydrophobicContact CD1-CD1 4.12Å; L220-L304 HydrophobicContact CD1-CD2 3.88Å; L220-L304 HydrophobicContact CD1-CG 3.89Å; I288-L304 HydrophobicContact CG2-CD1 4.06Å; V290-L304 HydrophobicContact CB-CD2 4.47Å; V290-L304 HydrophobicContact CG1-CD2 3.89Å; V290-L304 HydrophobicContact CG2-CD1 4.14Å; V290-L304 HydrophobicContact CG2-CD2 3.73Å; E300-L304 WeakPolarHBondContact O-CB 3.22Å; E300-L304 PolarHBondContact O-N 3.27Å; L304-R307 PolarHBondContact O-N 3.16Å; L304-Y308 WeakPolarHBondContact O-CB 3.4Å; L304-Y308 PolarHBondContact O-N 3.48Å
305H98.7Very high98.1Very high8 Ų862.6 Ų62.64%0.03730%0.302CS..Hα-helixtrans-63.7-43.4175.7-175.5-110.7000112.3L203 R204 K207 I210 V301 N302 Q303 R307 Y308 I309L203-H305 PolarHBondContact O-CE1 3.32Å; L203-H305 PolarHBondContact O-NE2 2.95Å; L203-H305 VanDerWaalsContact O-NE2 3.1Å; R204-H305 PolarHBondContact O-CE1 3.43Å; R204-H305 VanDerWaalsContact O-CE1 3.29Å; K207-H305 HydrophobicContact CG-CB 4.46Å; I210-H305 HydrophobicContact CD1-CB 4.42Å; I210-H305 HydrophobicContact CG1-CB 3.98Å; I210-H305 HydrophobicContact CG2-CB 4.5Å; V301-H305 WeakPolarHBondContact O-CB 3.18Å; V301-H305 PolarHBondContact O-N 3.47Å; N302-H305 PolarHBondContact O-N 3.24Å; Q303-H305 VanDerWaalsContact C-N 3.34Å; Q303-H305 PolarHBondContact O-N 3.01Å; H305-R307 VanDerWaalsContact C-N 3.34Å; H305-Y308 WeakPolarHBondContact O-CB 3.42Å; H305-Y308 PolarHBondContact O-N 3.09Å; H305-I309 WeakPolarHBondContact CE1-CD1 3.46Å; H305-I309 WeakPolarHBondContact O-CG1 3.39Å; H305-I309 PolarHBondContact O-N 3.43Å
306Q98.4Very high98.3Very high135 Ų13554.5 Ų54.563%0.63126%0.264SS*.Hα-helixtrans-62.3-42.7174.9-75.7174.3-10.500111.4N302 Q303 Y308 I309 K310N302-Q306 WeakPolarHBondContact O-CB 3.39Å; N302-Q306 WeakPolarHBondContact O-CG 3.23Å; N302-Q306 PolarHBondContact O-N 2.91Å; Q303-Q306 PolarHBondContact O-N 2.96Å; Q306-Y308 VanDerWaalsContact C-N 3.34Å; Q306-Y308 PolarHBondContact O-N 3.33Å; Q306-I309 PolarHBondContact O-N 2.87Å; Q306-K310 WeakPolarHBondContact O-CB 3.33Å; Q306-K310 PolarHBondContact O-N 2.65Å
307R98.6Very high98.4Very high123 Ų12356.3 Ų56.346%0.46427%0.27SS..Hα-helixtrans-60.4-44.2173.5-174.6177.1-179.7-168.7-1.2111.4I288 Q303 L304 H305 K310 E311I288-R307 HydrophobicContact CG2-CG 4.21Å; Q303-R307 PolarHBondContact O-N 3.44Å; L304-R307 PolarHBondContact O-N 3.16Å; H305-R307 VanDerWaalsContact C-N 3.34Å; R307-K310 PolarHBondContact O-N 3.44Å; R307-E311 WeakPolarHBondContact O-CG 3.47Å; R307-E311 PolarHBondContact O-N 2.85Å
308Y98.8Very high98.4Very high0 Ų056.9 Ų56.90%028%0.279CS..Hα-helixtrans-59-47.9176.5179.3-89.7000112.2G106 H108 L203 F209 I210 L220 P222 I288 L304 H305 Q306 K310 E311 L312G106-Y308 VanDerWaalsContact CA-OH 3.28Å; G106-Y308 WeakPolarHBondContact CA-OH 3.42Å; G106-Y308 PolarHBondContact O-OH 3.09Å; G106-Y308 VanDerWaalsContact O-OH 3.09Å; H108-Y308 PolarHBondContact CD2-OH 2.86Å; H108-Y308 AromaticContact NE2-CE1 3.63Å; H108-Y308 AromaticContact NE2-CZ 3.64Å; H108-Y308 PolarHBondContact NE2-OH 3.43Å; L203-Y308 HydrophobicContact CD1-CE1 4.33Å; L203-Y308 HydrophobicContact CD2-CD1 4.27Å; L203-Y308 HydrophobicContact CD2-CE1 4.01Å; F209-Y308 HydrophobicContact CE2-CD1 4.11Å; F209-Y308 AromaticContact CE2-CD2 3.94Å; F209-Y308 HydrophobicContact CE2-CD2 3.94Å; F209-Y308 AromaticContact CE2-CE1 3.95Å; F209-Y308 HydrophobicContact CE2-CE1 3.95Å; F209-Y308 AromaticContact CE2-CE2 3.79Å; F209-Y308 HydrophobicContact CE2-CE2 3.79Å; F209-Y308 HydrophobicContact CE2-CG 4.1Å; F209-Y308 AromaticContact CE2-CZ 3.79Å; F209-Y308 AromaticContact CZ-CD1 3.63Å; F209-Y308 HydrophobicContact CZ-CD1 3.63Å; F209-Y308 HydrophobicContact CZ-CD2 4.31Å; F209-Y308 AromaticContact CZ-CE1 3.56Å; F209-Y308 HydrophobicContact CZ-CE1 3.56Å; F209-Y308 HydrophobicContact CZ-CE2 4.25Å; F209-Y308 HydrophobicContact CZ-CG 4.02Å; F209-Y308 AromaticContact CZ-CZ 3.89Å; I210-Y308 HydrophobicContact CD1-CG 4.21Å; L220-Y308 HydrophobicContact CB-CD2 4Å; L220-Y308 HydrophobicContact CB-CE2 4.32Å; L220-Y308 HydrophobicContact CD1-CD2 4.09Å; L220-Y308 HydrophobicContact CG-CD2 4.5Å; P222-Y308 HydrophobicContact CB-CE2 3.94Å; I288-Y308 HydrophobicContact CD1-CD2 3.96Å; L304-Y308 WeakPolarHBondContact O-CB 3.4Å; L304-Y308 PolarHBondContact O-N 3.48Å; H305-Y308 WeakPolarHBondContact O-CB 3.42Å; H305-Y308 PolarHBondContact O-N 3.09Å; Q306-Y308 VanDerWaalsContact C-N 3.34Å; Q306-Y308 PolarHBondContact O-N 3.33Å; Y308-K310 VanDerWaalsContact C-N 3.33Å; Y308-K310 PolarHBondContact O-N 2.87Å; Y308-E311 PolarHBondContact O-N 2.88Å; Y308-L312 HydrophobicContact CE1-CD2 4.29Å; Y308-L312 WeakPolarHBondContact O-CB 3.28Å; Y308-L312 PolarHBondContact O-N 3.21Å
309I98.6Very high98.3Very high33 Ų3353.4 Ų53.417%0.16926%0.263CS..Hα-helixtrans-58.8-46.2176.2-73.5174.8000110.6L203 H305 Q306 E311 L312 C313 F333L203-I309 HydrophobicContact CD2-CG1 3.8Å; L203-I309 HydrophobicContact CG-CD1 4.4Å; L203-I309 HydrophobicContact CG-CG1 4.15Å; H305-I309 WeakPolarHBondContact CE1-CD1 3.46Å; H305-I309 WeakPolarHBondContact O-CG1 3.39Å; H305-I309 PolarHBondContact O-N 3.43Å; Q306-I309 PolarHBondContact O-N 2.87Å; I309-E311 PolarHBondContact O-N 2.7Å; I309-L312 PolarHBondContact O-N 3Å; I309-C313 PolarHBondContact O-N 3.43Å; I309-C313 PolarHBondContact O-SG 2.91Å; I309-C313 VanDerWaalsContact O-SG 3.36Å; I309-F333 HydrophobicContact CG2-CD2 4.12Å; I309-F333 HydrophobicContact CG2-CE1 4.28Å; I309-F333 HydrophobicContact CG2-CE2 3.65Å; I309-F333 HydrophobicContact CG2-CZ 3.73Å
310K98.5Very high98.3Very high132 Ų13248.5 Ų48.557%0.57424%0.239SC*.Hα-helixtrans-58.5-47.7178.7-176.6-178.7178.8-179.10111.9Q306 R307 Y308 L312 C313 N314Q306-K310 WeakPolarHBondContact O-CB 3.33Å; Q306-K310 PolarHBondContact O-N 2.65Å; R307-K310 PolarHBondContact O-N 3.44Å; Y308-K310 VanDerWaalsContact C-N 3.33Å; Y308-K310 PolarHBondContact O-N 2.87Å; K310-L312 VanDerWaalsContact C-N 3.34Å; K310-L312 PolarHBondContact O-N 3.32Å; K310-C313 WeakPolarHBondContact O-CB 3.31Å; K310-C313 PolarHBondContact O-N 3.09Å; K310-N314 PolarHBondContact O-N 3.37Å; K310-N314 PolarHBondContact O-ND2 3.42Å; K310-N314 PolarHBondContact O-OD1 3.43Å
311E98.6Very high98.2Very high68 Ų6850.9 Ų50.932%0.31825%0.254SS..Hα-helixtrans-67.5-34178.7-64.9-54149.900112.5P222 I288 R307 Y308 I309 N314 L315P222-E311 HydrophobicContact CG-CB 4.4Å; I288-E311 HydrophobicContact CD1-CB 3.8Å; I288-E311 HydrophobicContact CD1-CG 3.76Å; I288-E311 HydrophobicContact CG1-CB 4.39Å; I288-E311 HydrophobicContact CG1-CG 4.08Å; R307-E311 WeakPolarHBondContact O-CG 3.47Å; R307-E311 PolarHBondContact O-N 2.85Å; Y308-E311 PolarHBondContact O-N 2.88Å; I309-E311 PolarHBondContact O-N 2.7Å; E311-N314 PolarHBondContact O-N 2.93Å; E311-L315 WeakPolarHBondContact O-CB 3.39Å; E311-L315 PolarHBondContact O-N 3.25Å
312L98.7Very high98.1Very high0 Ų057.9 Ų57.90%028%0.284CS..Hα-helixtrans-65.1-43.3172.8-177.564.2000111.7L201 L203 P222 F224 Y308 I309 K310 L315 F316 L331 F333L201-L312 HydrophobicContact CD1-CD2 3.84Å; L203-L312 HydrophobicContact CD2-CD2 3.7Å; P222-L312 HydrophobicContact CB-CB 4.32Å; P222-L312 HydrophobicContact CB-CD1 4.1Å; F224-L312 HydrophobicContact CB-CD1 4.24Å; F224-L312 HydrophobicContact CD2-CD1 4.31Å; Y308-L312 HydrophobicContact CE1-CD2 4.29Å; Y308-L312 WeakPolarHBondContact O-CB 3.28Å; Y308-L312 PolarHBondContact O-N 3.21Å; I309-L312 PolarHBondContact O-N 3Å; K310-L312 VanDerWaalsContact C-N 3.34Å; K310-L312 PolarHBondContact O-N 3.32Å; L312-L315 WeakPolarHBondContact O-CB 3.38Å; L312-L315 PolarHBondContact O-N 2.94Å; L312-F316 PolarHBondContact O-N 3.47Å; L312-L331 HydrophobicContact CD2-CD1 4.47Å; L312-L331 HydrophobicContact CG-CD1 4.04Å; L312-F333 HydrophobicContact CD2-CE1 4.3Å
313C98.4Very high97.8Very high33 Ų3358.8 Ų58.822%0.22329%0.286CS..Hα-helixtrans-59.1-50.8172.3-69.90000111I309 K310 L315 F316 E317 F333I309-C313 PolarHBondContact O-N 3.43Å; I309-C313 PolarHBondContact O-SG 2.91Å; I309-C313 VanDerWaalsContact O-SG 3.36Å; K310-C313 WeakPolarHBondContact O-CB 3.31Å; K310-C313 PolarHBondContact O-N 3.09Å; C313-L315 PolarHBondContact O-N 3.32Å; C313-F316 WeakPolarHBondContact O-CB 3.25Å; C313-F316 PolarHBondContact O-N 3.41Å; C313-F316 VanDerWaalsContact O-N 3.11Å; C313-E317 WeakPolarHBondContact O-CB 3.29Å; C313-E317 VanDerWaalsContact O-CG 3.3Å; C313-E317 WeakPolarHBondContact O-CG 3.4Å; C313-E317 PolarHBondContact O-N 2.83Å; C313-F333 WeakPolarHBondContact SG-CE2 3.47Å; C313-F333 WeakPolarHBondContact SG-CZ 3.32Å
314N98.4Very high97.5Very high75 Ų7561 Ų6140%0.40130%0.302SS..Hα-helixtrans-56.3-41.9178.7-66.8-17.5000111.6K310 E311 A318K310-N314 PolarHBondContact O-N 3.37Å; K310-N314 PolarHBondContact O-ND2 3.42Å; K310-N314 PolarHBondContact O-OD1 3.43Å; E311-N314 PolarHBondContact O-N 2.93Å; N314-A318 VanDerWaalsContact O-CB 3.25Å; N314-A318 WeakPolarHBondContact O-CB 3.48Å; N314-A318 PolarHBondContact O-N 2.87Å
315L98.4Very high97.3Very high16 Ų1661 Ų618%0.08430%0.301CS..Hα-helixtrans-61.7-45.2177.7-172.467.7000111.7T94 P222 F224 V283 E311 L312 C313 H319T94-L315 HydrophobicContact CG2-CD1 4.13Å; P222-L315 HydrophobicContact CB-CD2 4.48Å; F224-L315 HydrophobicContact CB-CD2 4.31Å; V283-L315 HydrophobicContact CG1-CD1 3.74Å; V283-L315 HydrophobicContact CG1-CG 4.26Å; E311-L315 WeakPolarHBondContact O-CB 3.39Å; E311-L315 PolarHBondContact O-N 3.25Å; L312-L315 WeakPolarHBondContact O-CB 3.38Å; L312-L315 PolarHBondContact O-N 2.94Å; C313-L315 PolarHBondContact O-N 3.32Å; L315-H319 PolarHBondContact O-ND1 3.15Å
316F98.4Very high97.1Very high0 Ų063.6 Ų63.60%032%0.319CS..Hα-helixtrans-63-53.6176.1174.7-96.7000111.4F199 F224 F226 L312 C313 A318 H319 K320 I325 L331F199-F316 AromaticContact CD1-CE2 3.56Å; F199-F316 HydrophobicContact CD1-CE2 3.56Å; F199-F316 AromaticContact CD1-CZ 3.94Å; F199-F316 HydrophobicContact CD1-CZ 3.94Å; F199-F316 HydrophobicContact CD2-CZ 4.42Å; F199-F316 AromaticContact CE1-CE2 3.82Å; F199-F316 HydrophobicContact CE1-CE2 3.82Å; F199-F316 HydrophobicContact CE1-CZ 4.27Å; F199-F316 HydrophobicContact CG-CE2 4.11Å; F199-F316 HydrophobicContact CG-CZ 4.02Å; F224-F316 HydrophobicContact CD1-CD2 4.04Å; F224-F316 HydrophobicContact CD2-CD2 4.49Å; F224-F316 AromaticContact CE1-CD2 3.64Å; F224-F316 HydrophobicContact CE1-CD2 3.64Å; F224-F316 AromaticContact CE1-CE2 3.95Å; F224-F316 HydrophobicContact CE1-CE2 3.95Å; F224-F316 HydrophobicContact CE2-CD2 4.12Å; F224-F316 HydrophobicContact CG-CD2 4.46Å; F224-F316 AromaticContact CZ-CD2 3.69Å; F224-F316 HydrophobicContact CZ-CD2 3.69Å; F224-F316 AromaticContact CZ-CE2 3.89Å; F224-F316 HydrophobicContact CZ-CE2 3.89Å; F226-F316 HydrophobicContact CD1-CE2 4.43Å; F226-F316 AromaticContact CE1-CD2 3.58Å; F226-F316 HydrophobicContact CE1-CD2 3.58Å; F226-F316 AromaticContact CE1-CE2 3.61Å; F226-F316 HydrophobicContact CE1-CE2 3.61Å; F226-F316 AromaticContact CZ-CD2 3.83Å; F226-F316 HydrophobicContact CZ-CD2 3.83Å; F226-F316 HydrophobicContact CZ-CE2 4.33Å; L312-F316 PolarHBondContact O-N 3.47Å; C313-F316 WeakPolarHBondContact O-CB 3.25Å; C313-F316 PolarHBondContact O-N 3.41Å; C313-F316 VanDerWaalsContact O-N 3.11Å; F316-A318 VanDerWaalsContact C-N 3.29Å; F316-A318 PolarHBondContact O-N 3.49Å; F316-H319 PolarHBondContact O-N 3.13Å; F316-K320 HydrophobicContact CD1-CB 4.33Å; F316-K320 HydrophobicContact CD1-CD 4.04Å; F316-K320 HydrophobicContact CE1-CB 4Å; F316-K320 HydrophobicContact CE1-CD 3.53Å; F316-K320 HydrophobicContact CE1-CG 4.4Å; F316-K320 HydrophobicContact CE2-CB 4.3Å; F316-K320 HydrophobicContact CZ-CB 3.99Å; F316-K320 HydrophobicContact CZ-CD 4.19Å; F316-K320 WeakPolarHBondContact O-CB 3.17Å; F316-K320 PolarHBondContact O-N 3Å; F316-I325 HydrophobicContact CE2-CD1 4.14Å; F316-I325 HydrophobicContact CZ-CD1 4.32Å; F316-I325 HydrophobicContact CZ-CG2 4.15Å; F316-L331 HydrophobicContact CB-CD1 3.77Å; F316-L331 HydrophobicContact CB-CD2 4.3Å; F316-L331 HydrophobicContact CB-CG 3.92Å; F316-L331 HydrophobicContact CD1-CD2 4.07Å; F316-L331 HydrophobicContact CD1-CG 3.77Å; F316-L331 HydrophobicContact CD2-CD2 3.56Å; F316-L331 HydrophobicContact CD2-CG 4.05Å; F316-L331 HydrophobicContact CE1-CD2 4.25Å; F316-L331 HydrophobicContact CE1-CG 4.27Å; F316-L331 HydrophobicContact CE2-CD2 3.77Å; F316-L331 HydrophobicContact CG-CD1 4.07Å; F316-L331 HydrophobicContact CG-CD2 3.71Å; F316-L331 HydrophobicContact CG-CG 3.64Å; F316-L331 HydrophobicContact CZ-CD2 4.1Å
317E98.2Very high96.8Very high66 Ų6660.4 Ų60.431%0.30832%0.316SS..Hα-helixtrans-56.6-41.9-178.8-69.5-57.1140.900112.3C313 H319 K320 H330C313-E317 WeakPolarHBondContact O-CB 3.29Å; C313-E317 VanDerWaalsContact O-CG 3.3Å; C313-E317 WeakPolarHBondContact O-CG 3.4Å; C313-E317 PolarHBondContact O-N 2.83Å; E317-H319 PolarHBondContact O-N 3.22Å; E317-H319 VanDerWaalsContact O-N 3.16Å; E317-K320 VanDerWaalsContact CD-NZ 3.34Å; E317-K320 IonicContact OE1-NZ 2.66Å; E317-K320 PolarHBondContact OE1-NZ 2.81Å; E317-K320 WeakPolarHBondContact OE2-CE 3.36Å; E317-K320 IonicContact OE2-NZ 3.73Å; E317-K320 PolarHBondContact OE2-NZ 3.11Å; E317-H330 IonicContact OE1-CE1 3.8Å; E317-H330 IonicContact OE1-CG 3Å; E317-H330 IonicContact OE1-ND1 2.78Å; E317-H330 PolarHBondContact OE1-ND1 3.48Å; E317-H330 IonicContact OE2-CE1 3.11Å; E317-H330 IonicContact OE2-ND1 2.77Å
318A97.8Very high96.6Very high68 Ų6860.8 Ų60.856%0.56233%0.327SS*.Hα-helixtrans-65.5-17.3179.400000114.2N314 F316N314-A318 VanDerWaalsContact O-CB 3.25Å; N314-A318 WeakPolarHBondContact O-CB 3.48Å; N314-A318 PolarHBondContact O-N 2.87Å; F316-A318 VanDerWaalsContact C-N 3.29Å; F316-A318 PolarHBondContact O-N 3.49Å
319H97.5Very high96.4Very high23 Ų2363.9 Ų63.911%0.10634%0.342CS..Hα-helixtrans-122-20.4-173.6-65.383.9000114.3F226 L315 F316 E317 L321 K322 F323F226-H319 HydrophobicContact CE2-CB 3.85Å; F226-H319 HydrophobicContact CZ-CB 3.88Å; L315-H319 PolarHBondContact O-ND1 3.15Å; F316-H319 PolarHBondContact O-N 3.13Å; E317-H319 PolarHBondContact O-N 3.22Å; E317-H319 VanDerWaalsContact O-N 3.16Å; H319-L321 VanDerWaalsContact C-N 3.3Å; H319-L321 PolarHBondContact O-N 3.18Å; H319-K322 WeakPolarHBondContact O-CB 3.36Å; H319-K322 PolarHBondContact O-N 3.49Å; H319-F323 HydrophobicContact CB-CE2 4Å; H319-F323 VanDerWaalsContact O-CD2 3.27Å; H319-F323 WeakPolarHBondContact O-CD2 3.31Å
320K96.3Very high96.3Very high5 Ų567.1 Ų67.12%0.02236%0.356CS..Hα-helixtrans-56-39.6-170.176.6-177.6-170-1750113.8F226 F316 E317 K322 F323 I325 P326 A327 Q329 H330F226-K320 HydrophobicContact CE1-CB 4.29Å; F316-K320 HydrophobicContact CD1-CB 4.33Å; F316-K320 HydrophobicContact CD1-CD 4.04Å; F316-K320 HydrophobicContact CE1-CB 4Å; F316-K320 HydrophobicContact CE1-CD 3.53Å; F316-K320 HydrophobicContact CE1-CG 4.4Å; F316-K320 HydrophobicContact CE2-CB 4.3Å; F316-K320 HydrophobicContact CZ-CB 3.99Å; F316-K320 HydrophobicContact CZ-CD 4.19Å; F316-K320 WeakPolarHBondContact O-CB 3.17Å; F316-K320 PolarHBondContact O-N 3Å; E317-K320 VanDerWaalsContact CD-NZ 3.34Å; E317-K320 IonicContact OE1-NZ 2.66Å; E317-K320 PolarHBondContact OE1-NZ 2.81Å; E317-K320 WeakPolarHBondContact OE2-CE 3.36Å; E317-K320 IonicContact OE2-NZ 3.73Å; E317-K320 PolarHBondContact OE2-NZ 3.11Å; K320-K322 VanDerWaalsContact C-N 3.25Å; K320-K322 PolarHBondContact O-N 3.36Å; K320-F323 PolarHBondContact O-N 3.42Å; K320-I325 HydrophobicContact CB-CB 3.91Å; K320-I325 HydrophobicContact CB-CD1 4.11Å; K320-I325 HydrophobicContact CB-CG2 4.05Å; K320-I325 HydrophobicContact CD-CG2 4.3Å; K320-I325 HydrophobicContact CG-CB 4.45Å; K320-I325 HydrophobicContact CG-CG2 4.4Å; K320-I325 WeakPolarHBondContact O-CB 3.36Å; K320-I325 PolarHBondContact O-N 3.14Å; K320-P326 WeakPolarHBondContact CE-O 3.44Å; K320-A327 PolarHBondContact NZ-O 2.99Å; K320-Q329 PolarHBondContact NZ-O 3.22Å; K320-H330 PolarHBondContact NZ-CE1 3.25Å; K320-H330 PolarHBondContact NZ-ND1 2.95Å
321L96.4Very high96.2Very high117 Ų11761.5 Ų61.561%0.61333%0.332SS*.G310 helixtrans-63-30179.8-62.1-179000112.8H319 F323 N324 A327H319-L321 VanDerWaalsContact C-N 3.3Å; H319-L321 PolarHBondContact O-N 3.18Å; L321-F323 PolarHBondContact O-N 2.94Å; L321-N324 PolarHBondContact O-N 3.49Å; L321-A327 HydrophobicContact CD2-CB 4.4Å
322K95.3Very high96.1Very high148 Ų14864.2 Ų64.264%0.64334%0.344SS*.G310 helixtrans-67-17.6176.8-60.6176.8-179.2171.70112.5H319 K320H319-K322 WeakPolarHBondContact O-CB 3.36Å; H319-K322 PolarHBondContact O-N 3.49Å; K320-K322 VanDerWaalsContact C-N 3.25Å; K320-K322 PolarHBondContact O-N 3.36Å
323F92.1Very high95.9Very high61 Ų6165.9 Ų65.927%0.26835%0.352SS..G310 helixtrans-111.320.3-178.4-53.5-65.4000112.2F226 T281 H319 K320 L321 I325F226-F323 HydrophobicContact CB-CD1 4.46Å; F226-F323 HydrophobicContact CB-CD2 3.99Å; F226-F323 HydrophobicContact CB-CE2 4.26Å; F226-F323 HydrophobicContact CB-CG 4.09Å; F226-F323 HydrophobicContact CD1-CB 4.34Å; F226-F323 AromaticContact CD1-CD2 3.54Å; F226-F323 HydrophobicContact CD1-CD2 3.54Å; F226-F323 HydrophobicContact CD1-CE2 4.17Å; F226-F323 HydrophobicContact CD1-CG 4.15Å; F226-F323 AromaticContact CD2-CD2 3.52Å; F226-F323 HydrophobicContact CD2-CD2 3.52Å; F226-F323 AromaticContact CD2-CE2 3.23Å; F226-F323 HydrophobicContact CD2-CE2 3.23Å; F226-F323 HydrophobicContact CD2-CG 4.43Å; F226-F323 AromaticContact CD2-CZ 3.99Å; F226-F323 HydrophobicContact CD2-CZ 3.99Å; F226-F323 AromaticContact CE1-CD2 3.8Å; F226-F323 HydrophobicContact CE1-CD2 3.8Å; F226-F323 HydrophobicContact CE1-CE2 4.34Å; F226-F323 AromaticContact CE2-CD2 3.78Å; F226-F323 HydrophobicContact CE2-CD2 3.78Å; F226-F323 AromaticContact CE2-CE2 3.45Å; F226-F323 HydrophobicContact CE2-CE2 3.45Å; F226-F323 VanDerWaalsContact CE2-CE2 3.45Å; F226-F323 HydrophobicContact CE2-CZ 4.48Å; F226-F323 AromaticContact CG-CD2 3.39Å; F226-F323 HydrophobicContact CG-CD2 3.39Å; F226-F323 AromaticContact CG-CE2 3.63Å; F226-F323 HydrophobicContact CG-CE2 3.63Å; F226-F323 AromaticContact CG-CG 3.98Å; F226-F323 HydrophobicContact CG-CG 3.98Å; F226-F323 HydrophobicContact CG-CZ 4.41Å; F226-F323 AromaticContact CZ-CD2 3.9Å; F226-F323 HydrophobicContact CZ-CD2 3.9Å; F226-F323 HydrophobicContact CZ-CE2 4.01Å; T281-F323 HydrophobicContact CG2-CE1 3.69Å; T281-F323 HydrophobicContact CG2-CE2 4.45Å; T281-F323 HydrophobicContact CG2-CZ 3.38Å; H319-F323 HydrophobicContact CB-CE2 4Å; H319-F323 VanDerWaalsContact O-CD2 3.27Å; H319-F323 WeakPolarHBondContact O-CD2 3.31Å; K320-F323 PolarHBondContact O-N 3.42Å; L321-F323 PolarHBondContact O-N 2.94Å; F323-I325 HydrophobicContact CB-CD1 4.28Å; F323-I325 HydrophobicContact CB-CG1 4.48Å; F323-I325 PolarHBondContact O-N 3.35Å
324N92.6Very high95.4Very high155 Ų15567.3 Ų67.383%0.82936%0.362SS*.THydrogen-bonded Turntrans58.928.2179.9-52.4-52.9000114L321L321-N324 PolarHBondContact O-N 3.49Å
325I94.7Very high95.3Very high15 Ų1567 Ų678%0.07736%0.36CS..  trans-84.6126.7172.8-63.4165.2000108F199 F226 F316 K320 F323 Q329F199-I325 HydrophobicContact CE1-CD1 3.66Å; F199-I325 HydrophobicContact CE2-CD1 4.19Å; F199-I325 HydrophobicContact CE2-CG1 4.23Å; F199-I325 HydrophobicContact CE2-CG2 4.09Å; F199-I325 HydrophobicContact CZ-CD1 3.33Å; F199-I325 HydrophobicContact CZ-CG1 3.7Å; F199-I325 HydrophobicContact CZ-CG2 4.3Å; F226-I325 HydrophobicContact CD1-CD1 3.51Å; F226-I325 HydrophobicContact CE1-CD1 3.61Å; F316-I325 HydrophobicContact CE2-CD1 4.14Å; F316-I325 HydrophobicContact CZ-CD1 4.32Å; F316-I325 HydrophobicContact CZ-CG2 4.15Å; K320-I325 HydrophobicContact CB-CB 3.91Å; K320-I325 HydrophobicContact CB-CD1 4.11Å; K320-I325 HydrophobicContact CB-CG2 4.05Å; K320-I325 HydrophobicContact CD-CG2 4.3Å; K320-I325 HydrophobicContact CG-CB 4.45Å; K320-I325 HydrophobicContact CG-CG2 4.4Å; K320-I325 WeakPolarHBondContact O-CB 3.36Å; K320-I325 PolarHBondContact O-N 3.14Å; F323-I325 HydrophobicContact CB-CD1 4.28Å; F323-I325 HydrophobicContact CB-CG1 4.48Å; F323-I325 PolarHBondContact O-N 3.35Å; I325-Q329 HydrophobicContact CG2-CB 3.9Å; I325-Q329 HydrophobicContact CG2-CG 4.18Å
326P94Very high95.1Very high62 Ų6269.6 Ų69.640%0.40337%0.374SS..  trans-55152179-28.837.1000114.4K320 D328 Q329K320-P326 WeakPolarHBondContact CE-O 3.44Å; P326-D328 VanDerWaalsContact C-N 3.27Å; P326-D328 WeakPolarHBondContact CB-OD1 3.49Å; P326-D328 PolarHBondContact O-N 2.81Å; P326-Q329 HydrophobicContact CB-CB 4.39Å; P326-Q329 PolarHBondContact O-N 3.45Å
327A93.2Very high94.9Very high69 Ų6973.5 Ų73.557%0.5740%0.395SS*.THydrogen-bonded Turntrans-65.8-29.2-177.300000113.3K320 L321K320-A327 PolarHBondContact NZ-O 2.99Å; L321-A327 HydrophobicContact CD2-CB 4.4Å
328D94.4Very high94.7Very high131 Ų13173.9 Ų73.970%0.70140%0.4SS*.THydrogen-bonded Turntrans-81.8-11.7177.660.8-35.6000113.6P326 H330P326-D328 VanDerWaalsContact C-N 3.27Å; P326-D328 WeakPolarHBondContact CB-OD1 3.49Å; P326-D328 PolarHBondContact O-N 2.81Å; D328-H330 PolarHBondContact O-CD2 3.22Å
329Q94Very high94.5Very high65 Ų6574.3 Ų74.330%0.30439%0.39SS..  trans-85.5123.1176.7-166.8165.226.700110.7G197 F199 K320 I325 P326G197-Q329 PolarHBondContact O-NE2 2.88Å; G197-Q329 VanDerWaalsContact O-NE2 3.1Å; F199-Q329 HydrophobicContact CD2-CG 3.73Å; F199-Q329 HydrophobicContact CE2-CG 4.08Å; F199-Q329 VanDerWaalsContact CE2-NE2 3.32Å; K320-Q329 PolarHBondContact NZ-O 3.22Å; I325-Q329 HydrophobicContact CG2-CB 3.9Å; I325-Q329 HydrophobicContact CG2-CG 4.18Å; P326-Q329 HydrophobicContact CB-CB 4.39Å; P326-Q329 PolarHBondContact O-N 3.45Å
330H96.5Very high94.3Very high100 Ų10077.7 Ų77.746%0.46341%0.409SS..  trans-124.7164.5-176.1-63.3-68.2000111.5E317 K320 D328E317-H330 IonicContact OE1-CE1 3.8Å; E317-H330 IonicContact OE1-CG 3Å; E317-H330 IonicContact OE1-ND1 2.78Å; E317-H330 PolarHBondContact OE1-ND1 3.48Å; E317-H330 IonicContact OE2-CE1 3.11Å; E317-H330 IonicContact OE2-ND1 2.77Å; K320-H330 PolarHBondContact NZ-CE1 3.25Å; K320-H330 PolarHBondContact NZ-ND1 2.95Å; D328-H330 PolarHBondContact O-CD2 3.22Å
331L96.7Very high94.2Very high15 Ų1582.9 Ų82.98%0.07944%0.437CS..  trans-66.7133.8169.2-65.1-175000110.2F199 L201 F224 L312 F316 F333F199-L331 HydrophobicContact CB-CD2 4.01Å; L201-L331 HydrophobicContact CD1-CD1 4.04Å; L201-L331 HydrophobicContact CD1-CD2 4.25Å; F224-L331 HydrophobicContact CD2-CD2 4.41Å; F224-L331 HydrophobicContact CE2-CD1 4.48Å; F224-L331 HydrophobicContact CE2-CD2 3.6Å; F224-L331 HydrophobicContact CZ-CD2 3.99Å; L312-L331 HydrophobicContact CD2-CD1 4.47Å; L312-L331 HydrophobicContact CG-CD1 4.04Å; F316-L331 HydrophobicContact CB-CD1 3.77Å; F316-L331 HydrophobicContact CB-CD2 4.3Å; F316-L331 HydrophobicContact CB-CG 3.92Å; F316-L331 HydrophobicContact CD1-CD2 4.07Å; F316-L331 HydrophobicContact CD1-CG 3.77Å; F316-L331 HydrophobicContact CD2-CD2 3.56Å; F316-L331 HydrophobicContact CD2-CG 4.05Å; F316-L331 HydrophobicContact CE1-CD2 4.25Å; F316-L331 HydrophobicContact CE1-CG 4.27Å; F316-L331 HydrophobicContact CE2-CD2 3.77Å; F316-L331 HydrophobicContact CG-CD1 4.07Å; F316-L331 HydrophobicContact CG-CD2 3.71Å; F316-L331 HydrophobicContact CG-CG 3.64Å; F316-L331 HydrophobicContact CZ-CD2 4.1Å; L331-F333 HydrophobicContact CB-CE1 4.28Å; L331-F333 HydrophobicContact CB-CE2 4.12Å; L331-F333 HydrophobicContact CB-CZ 3.73Å; L331-F333 HydrophobicContact CD1-CE1 4.35Å; L331-F333 HydrophobicContact CD1-CZ 4Å
332E95.7Very high94Very high124 Ų12480.3 Ų80.358%0.57942%0.423SS*.EExtended strand (participates in β ladder)trans-109.1142.8171-64.6-178172.100109.5F199 T200 L201F199-E332 PolarHBondContact O-N 3.1Å; F199-E332 VanDerWaalsContact O-N 3.11Å; T200-E332 CarbonylContact C-O 3.57Å; T200-E332 WeakPolarHBondContact CA-O 3.25Å; T200-E332 HydrophobicContact CG2-CB 4.19Å; T200-E332 PolarHBondContact OG1-OE2 3.12Å; L201-E332 PolarHBondContact N-O 2.99Å
333F94.8Very high93.9Very high35 Ų3574.7 Ų74.715%0.15441%0.405CS..EExtended strand (participates in β ladder)trans-119119.9-177.5-56.6-74.6000111.1L201 L203 R204 I309 L312 C313 L331L201-F333 HydrophobicContact CB-CD1 4.12Å; L201-F333 HydrophobicContact CB-CE1 4.39Å; L201-F333 HydrophobicContact CD1-CE1 4.04Å; L201-F333 CarbonylContact O-C 3.36Å; L201-F333 WeakPolarHBondContact O-CA 3.31Å; L203-F333 HydrophobicContact CB-CD1 3.96Å; L203-F333 HydrophobicContact CD2-CD1 4Å; L203-F333 HydrophobicContact CD2-CE1 3.87Å; L203-F333 HydrophobicContact CG-CD1 4.43Å; R204-F333 HydrophobicContact CB-CB 4.48Å; R204-F333 PolarHBondContact NE-O 3.37Å; R204-F333 PolarHBondContact NH2-O 3.05Å; I309-F333 HydrophobicContact CG2-CD2 4.12Å; I309-F333 HydrophobicContact CG2-CE1 4.28Å; I309-F333 HydrophobicContact CG2-CE2 3.65Å; I309-F333 HydrophobicContact CG2-CZ 3.73Å; L312-F333 HydrophobicContact CD2-CE1 4.3Å; C313-F333 WeakPolarHBondContact SG-CE2 3.47Å; C313-F333 WeakPolarHBondContact SG-CZ 3.32Å; L331-F333 HydrophobicContact CB-CE1 4.28Å; L331-F333 HydrophobicContact CB-CE2 4.12Å; L331-F333 HydrophobicContact CB-CZ 3.73Å; L331-F333 HydrophobicContact CD1-CE1 4.35Å; L331-F333 HydrophobicContact CD1-CZ 4Å
334C88.6Confident94.1Very high64 Ų6475.9 Ų75.943%0.43242%0.417SS..  trans-105.7017460.60000113.4T200 L201 L202 L203 R204T200-C334 HydrophobicContact CG2-CB 4.21Å; L201-C334 PolarHBondContact O-N 3.33Å; L202-C334 HydrophobicContact CD1-CB 4.48Å; L203-C334 PolarHBondContact N-O 3.44Å; L203-C334 VanDerWaalsContact N-O 3.12Å; R204-C334 VanDerWaalsContact CB-C 3.48Å; R204-C334 VanDerWaalsContact CB-O 3.25Å; R204-C334 WeakPolarHBondContact CB-O 3.43Å; R204-C334 PolarHBondContact N-O 3.36Å

Retrieved 334 of 334 residues in 178.7 ms (Link to these results)

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