A0A077ZGS5_TRITR Loading...

ACR tran domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGS5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 732 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
1M81.4Confident88.4Confident102 Ų10269.6 Ų69.650%0.50234%0.337SS..  0-61.30-171173.7177.800111.1N3 Y4 F5 F483 M486M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.27Å; M1-Y4 VanDerWaalsContact O-CB 3.32Å; M1-Y4 WeakPolarHBondContact O-CB 3.12Å; M1-Y4 PolarHBondContact O-N 3.03Å; M1-F5 HydrophobicContact CE-CE2 3.57Å; M1-F5 HydrophobicContact CE-CZ 4.22Å; M1-F5 HydrophobicContact CG-CD2 3.96Å; M1-F5 HydrophobicContact CG-CE2 3.63Å; M1-F5 PolarHBondContact O-N 3.41Å; M1-F5 HydrophobicContact SD-CE2 4.45Å; M1-F483 HydrophobicContact CE-CD2 3.81Å; M1-F483 HydrophobicContact CE-CE2 3.43Å; M1-F483 VanDerWaalsContact CE-CE2 3.43Å; M1-F483 HydrophobicContact CE-CZ 4.23Å; M1-M486 HydrophobicContact CB-CE 4.26Å; M1-M486 HydrophobicContact SD-CE 4.45Å
2A80.6Confident88.7Confident0 Ų063.9 Ų63.90%031%0.31CS..Hα-helixtrans-53.1-44.9-178.200000114.3Y4 F5 I6 M435 M486 P490A2-Y4 PolarHBondContact O-N 3Å; A2-Y4 VanDerWaalsContact O-N 3.17Å; A2-F5 PolarHBondContact O-N 3.48Å; A2-I6 VanDerWaalsContact O-CG1 3.29Å; A2-I6 WeakPolarHBondContact O-CG1 3.32Å; A2-I6 PolarHBondContact O-N 3.02Å; A2-M435 HydrophobicContact CB-CB 3.93Å; A2-M435 HydrophobicContact CB-CE 3.48Å; A2-M435 VanDerWaalsContact CB-CE 3.48Å; A2-M435 HydrophobicContact CB-CG 3.75Å; A2-M435 HydrophobicContact CB-SD 4.32Å; A2-M486 VanDerWaalsContact CA-O 3.22Å; A2-M486 WeakPolarHBondContact CA-O 3.21Å; A2-M486 WeakPolarHBondContact CB-O 3.35Å; A2-P490 HydrophobicContact CB-CG 4.3Å
3N86.6Confident89.1Confident80 Ų8065.9 Ų65.943%0.42831%0.312SS..Hα-helixtrans-53.8-37.4175.1-68.4-18.7000113.7M1 D7 H432M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.27Å; N3-D7 PolarHBondContact O-N 3.16Å; N3-H432 PolarHBondContact OD1-ND1 3.39Å
4Y90Very high89.5Confident105 Ų10565.8 Ų65.841%0.41232%0.318SS..Hα-helixtrans-68.4-39.1178.9176.2-95.4000112.4M1 A2 D7 R8 F11M1-Y4 VanDerWaalsContact O-CB 3.32Å; M1-Y4 WeakPolarHBondContact O-CB 3.12Å; M1-Y4 PolarHBondContact O-N 3.03Å; A2-Y4 PolarHBondContact O-N 3Å; A2-Y4 VanDerWaalsContact O-N 3.17Å; Y4-D7 PolarHBondContact O-N 3.28Å; Y4-R8 WeakPolarHBondContact O-CB 3.25Å; Y4-R8 PolarHBondContact O-N 2.98Å; Y4-R8 VanDerWaalsContact O-N 3.16Å; Y4-R8 PolarHBondContact OH-NH1 3.24Å; Y4-F11 AromaticContact CE1-CD1 3.86Å; Y4-F11 HydrophobicContact CE1-CD1 3.86Å; Y4-F11 HydrophobicContact CE1-CE1 4.08Å
5F90.6Very high89.8Confident11 Ų1164.3 Ų64.35%0.04831%0.312CS..Hα-helixtrans-76.2-29.4178.1-72.1-73.5000113M1 A2 D7 R8 F11 A12 L15 S487M1-F5 HydrophobicContact CE-CE2 3.57Å; M1-F5 HydrophobicContact CE-CZ 4.22Å; M1-F5 HydrophobicContact CG-CD2 3.96Å; M1-F5 HydrophobicContact CG-CE2 3.63Å; M1-F5 PolarHBondContact O-N 3.41Å; M1-F5 HydrophobicContact SD-CE2 4.45Å; A2-F5 PolarHBondContact O-N 3.48Å; F5-D7 VanDerWaalsContact C-N 3.26Å; F5-D7 PolarHBondContact O-N 2.81Å; F5-R8 CarbonylContact O-C 3.13Å; F5-R8 PolarHBondContact O-N 3.47Å; F5-R8 VanDerWaalsContact O-N 3.12Å; F5-F11 HydrophobicContact CD1-CD1 4.01Å; F5-F11 AromaticContact CE1-CD1 3.37Å; F5-F11 HydrophobicContact CE1-CD1 3.37Å; F5-F11 AromaticContact CE1-CE1 3.7Å; F5-F11 HydrophobicContact CE1-CE1 3.7Å; F5-F11 HydrophobicContact CE1-CG 4.38Å; F5-F11 HydrophobicContact CZ-CD1 4.19Å; F5-F11 HydrophobicContact CZ-CE1 4.1Å; F5-A12 HydrophobicContact CB-CB 4.32Å; F5-A12 HydrophobicContact CD1-CB 3.8Å; F5-A12 HydrophobicContact CG-CB 4.43Å; F5-L15 HydrophobicContact CE1-CD1 3.65Å; F5-L15 HydrophobicContact CZ-CD1 3.79Å; F5-S487 WeakPolarHBondContact CB-O 3.42Å
6I88.9Confident90.1Very high4 Ų460.3 Ų60.32%0.02129%0.293CS..Hα-helixtrans-59.5-40.9171.5-66.3165.7000110.5A2 R8 K428 T431 H432 M435 P490 A494A2-I6 VanDerWaalsContact O-CG1 3.29Å; A2-I6 WeakPolarHBondContact O-CG1 3.32Å; A2-I6 PolarHBondContact O-N 3.02Å; I6-R8 VanDerWaalsContact C-N 3.35Å; I6-K428 HydrophobicContact CG2-CG 3.85Å; I6-T431 HydrophobicContact CD1-CG2 3.53Å; I6-T431 HydrophobicContact CG1-CG2 3.88Å; I6-H432 WeakPolarHBondContact CG2-NE2 3.48Å; I6-M435 HydrophobicContact CD1-CG 4.24Å; I6-P490 HydrophobicContact CD1-CB 3.98Å; I6-P490 HydrophobicContact CG1-CB 3.64Å; I6-A494 HydrophobicContact CG2-CB 3.88Å
7D89.9Confident90.4Very high88 Ų8862 Ų6247%0.47130%0.302SS..Hα-helixtrans-78.1-19176.5-71.5-44.4000113.7N3 Y4 F5 P9 K428 H432N3-D7 PolarHBondContact O-N 3.16Å; Y4-D7 PolarHBondContact O-N 3.28Å; F5-D7 VanDerWaalsContact C-N 3.26Å; F5-D7 PolarHBondContact O-N 2.81Å; D7-P9 VanDerWaalsContact C-CD 3.47Å; D7-P9 WeakPolarHBondContact O-CD 3.17Å; D7-K428 WeakPolarHBondContact OD1-CE 3.39Å; D7-K428 IonicContact OD1-NZ 3.16Å; D7-K428 PolarHBondContact OD1-NZ 2.62Å; D7-H432 IonicContact OD1-NE2 3.43Å; D7-H432 IonicContact OD2-CE1 3.46Å
8R91.2Very high90.7Very high138 Ų13863.9 Ų63.952%0.52131%0.313SS..  trans-126.966.9-177.5-61.3-169.9-178-158.6-2.2111.8Y4 F5 I6 V10 F11 A12Y4-R8 WeakPolarHBondContact O-CB 3.25Å; Y4-R8 PolarHBondContact O-N 2.98Å; Y4-R8 VanDerWaalsContact O-N 3.16Å; Y4-R8 PolarHBondContact OH-NH1 3.24Å; F5-R8 CarbonylContact O-C 3.13Å; F5-R8 PolarHBondContact O-N 3.47Å; F5-R8 VanDerWaalsContact O-N 3.12Å; I6-R8 VanDerWaalsContact C-N 3.35Å; R8-V10 VanDerWaalsContact C-N 3.28Å; R8-V10 PolarHBondContact O-N 2.91Å; R8-F11 HydrophobicContact CB-CB 4.09Å; R8-F11 PolarHBondContact O-N 3.35Å; R8-F11 VanDerWaalsContact O-N 3.07Å; R8-A12 PolarHBondContact O-N 3.48Å
9P88.4Confident90.9Very high39 Ų3962.2 Ų62.225%0.25330%0.304SS..Hα-helixtrans-63.3-32.9-17525-34.6000113D7 F11 A12 W13 A491 T495D7-P9 VanDerWaalsContact C-CD 3.47Å; D7-P9 WeakPolarHBondContact O-CD 3.17Å; P9-F11 VanDerWaalsContact C-N 3.31Å; P9-F11 PolarHBondContact O-N 2.86Å; P9-A12 PolarHBondContact O-N 3.09Å; P9-W13 PolarHBondContact O-N 2.95Å; P9-A491 HydrophobicContact CB-CB 4.17Å; P9-T495 HydrophobicContact CB-CG2 3.85Å; P9-T495 HydrophobicContact CG-CG2 4.07Å
10V91.7Very high91.2Very high109 Ų10961.7 Ų61.766%0.66130%0.302SS*.Hα-helixtrans-62.9-39.1176.4-178.70000111.1R8 A12 W13 V14R8-V10 VanDerWaalsContact C-N 3.28Å; R8-V10 PolarHBondContact O-N 2.91Å; V10-A12 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 2.81Å; V10-W13 PolarHBondContact O-N 3.11Å; V10-V14 HydrophobicContact CG1-CG2 4.4Å; V10-V14 VanDerWaalsContact O-CG2 3.3Å; V10-V14 WeakPolarHBondContact O-CG2 3.46Å; V10-V14 PolarHBondContact O-N 2.63Å
11F92.8Very high91.4Very high90 Ų9064 Ų6440%0.39532%0.315SS..Hα-helixtrans-67.9-37.1179.5-171.7-122.1000111.7Y4 F5 R8 P9 V14 L15Y4-F11 AromaticContact CE1-CD1 3.86Å; Y4-F11 HydrophobicContact CE1-CD1 3.86Å; Y4-F11 HydrophobicContact CE1-CE1 4.08Å; F5-F11 HydrophobicContact CD1-CD1 4.01Å; F5-F11 AromaticContact CE1-CD1 3.37Å; F5-F11 HydrophobicContact CE1-CD1 3.37Å; F5-F11 AromaticContact CE1-CE1 3.7Å; F5-F11 HydrophobicContact CE1-CE1 3.7Å; F5-F11 HydrophobicContact CE1-CG 4.38Å; F5-F11 HydrophobicContact CZ-CD1 4.19Å; F5-F11 HydrophobicContact CZ-CE1 4.1Å; R8-F11 HydrophobicContact CB-CB 4.09Å; R8-F11 PolarHBondContact O-N 3.35Å; R8-F11 VanDerWaalsContact O-N 3.07Å; P9-F11 VanDerWaalsContact C-N 3.31Å; P9-F11 PolarHBondContact O-N 2.86Å; F11-V14 PolarHBondContact O-N 2.94Å; F11-L15 HydrophobicContact CE1-CD1 4.11Å; F11-L15 HydrophobicContact CZ-CD1 4.3Å; F11-L15 HydrophobicContact CZ-CG 4.49Å; F11-L15 PolarHBondContact O-N 3.02Å; F11-L15 VanDerWaalsContact O-N 3.16Å
12A92.6Very high92Very high1 Ų161.2 Ų61.21%0.00831%0.308CS..Hα-helixtrans-62.3-4417300000111.8F5 R8 P9 V10 L15 A16 L488 A491F5-A12 HydrophobicContact CB-CB 4.32Å; F5-A12 HydrophobicContact CD1-CB 3.8Å; F5-A12 HydrophobicContact CG-CB 4.43Å; R8-A12 PolarHBondContact O-N 3.48Å; P9-A12 PolarHBondContact O-N 3.09Å; V10-A12 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 2.81Å; A12-L15 PolarHBondContact O-N 2.97Å; A12-A16 PolarHBondContact O-N 3.46Å; A12-A16 VanDerWaalsContact O-N 3.09Å; A12-L488 HydrophobicContact CB-CD1 4.36Å; A12-A491 HydrophobicContact CB-CB 3.8Å
13W93.6Very high92.7Very high90 Ų9061.2 Ų61.234%0.34131%0.308SS..Hα-helixtrans-61.1-42.9174.2-88.5107.2000112.9P9 V10 L15 A16 I17 I370 L488 L492P9-W13 PolarHBondContact O-N 2.95Å; V10-W13 PolarHBondContact O-N 3.11Å; W13-L15 VanDerWaalsContact C-N 3.34Å; W13-L15 PolarHBondContact O-N 3.08Å; W13-A16 PolarHBondContact O-N 3.07Å; W13-I17 WeakPolarHBondContact O-CB 3.25Å; W13-I17 VanDerWaalsContact O-CG1 3.27Å; W13-I17 WeakPolarHBondContact O-CG1 3.49Å; W13-I17 PolarHBondContact O-N 3.17Å; W13-I370 HydrophobicContact CH2-CD1 4.27Å; W13-I370 HydrophobicContact CH2-CG2 4.17Å; W13-I370 HydrophobicContact CZ3-CG2 4.49Å; W13-L488 HydrophobicContact CD2-CD1 4.25Å; W13-L488 HydrophobicContact CG-CD1 4.41Å; W13-L492 HydrophobicContact CH2-CD2 4.35Å; W13-L492 HydrophobicContact CZ2-CD2 3.4Å; W13-L492 VanDerWaalsContact CZ2-CD2 3.4Å
14V95.3Very high93Very high64 Ų6458.8 Ų58.839%0.38830%0.302SS..Hα-helixtrans-59.5-45.7178.4168.60000110.9V10 F11 A16 I17 I18V10-V14 HydrophobicContact CG1-CG2 4.4Å; V10-V14 VanDerWaalsContact O-CG2 3.3Å; V10-V14 WeakPolarHBondContact O-CG2 3.46Å; V10-V14 PolarHBondContact O-N 2.63Å; F11-V14 PolarHBondContact O-N 2.94Å; V14-A16 VanDerWaalsContact C-N 3.35Å; V14-A16 PolarHBondContact O-N 2.81Å; V14-I17 PolarHBondContact O-N 3.44Å; V14-I18 HydrophobicContact CG1-CD1 3.77Å; V14-I18 HydrophobicContact CG1-CG1 4.45Å; V14-I18 VanDerWaalsContact O-CG1 3.27Å; V14-I18 WeakPolarHBondContact O-CG1 3.13Å; V14-I18 PolarHBondContact O-N 3.38Å
15L93.9Very high93.2Very high43 Ų4358.4 Ų58.423%0.22531%0.307CS..Hα-helixtrans-63.4-41.3177.3-67.6177.4000112.2F5 F11 A12 W13 I18 M19 F483F5-L15 HydrophobicContact CE1-CD1 3.65Å; F5-L15 HydrophobicContact CZ-CD1 3.79Å; F11-L15 HydrophobicContact CE1-CD1 4.11Å; F11-L15 HydrophobicContact CZ-CD1 4.3Å; F11-L15 HydrophobicContact CZ-CG 4.49Å; F11-L15 PolarHBondContact O-N 3.02Å; F11-L15 VanDerWaalsContact O-N 3.16Å; A12-L15 PolarHBondContact O-N 2.97Å; W13-L15 VanDerWaalsContact C-N 3.34Å; W13-L15 PolarHBondContact O-N 3.08Å; L15-I18 PolarHBondContact O-N 3.27Å; L15-M19 WeakPolarHBondContact O-CG 3.38Å; L15-M19 PolarHBondContact O-N 2.81Å; L15-F483 HydrophobicContact CD1-CZ 4.2Å
16A94.5Very high93.3Very high1 Ų158.2 Ų58.21%0.00831%0.307CS..Hα-helixtrans-63.1-43.4176.100000112.4A12 W13 V14 M19 M20 V374 L488A12-A16 PolarHBondContact O-N 3.46Å; A12-A16 VanDerWaalsContact O-N 3.09Å; W13-A16 PolarHBondContact O-N 3.07Å; V14-A16 VanDerWaalsContact C-N 3.35Å; V14-A16 PolarHBondContact O-N 2.81Å; A16-M19 PolarHBondContact O-N 3.12Å; A16-M20 WeakPolarHBondContact O-CG 3.47Å; A16-M20 PolarHBondContact O-N 2.94Å; A16-V374 HydrophobicContact CB-CG1 3.99Å; A16-V374 HydrophobicContact CB-CG2 4.1Å; A16-L488 HydrophobicContact CB-CD1 4.24Å; A16-L488 HydrophobicContact CB-CD2 3.78Å; A16-L488 HydrophobicContact CB-CG 4.48Å
17I94.9Very high93.4Very high89 Ų8961.1 Ų61.146%0.45632%0.322SS..Hα-helixtrans-63.9-42.1176.5-68.4166.4000110.7W13 V14 M20 L21W13-I17 WeakPolarHBondContact O-CB 3.25Å; W13-I17 VanDerWaalsContact O-CG1 3.27Å; W13-I17 WeakPolarHBondContact O-CG1 3.49Å; W13-I17 PolarHBondContact O-N 3.17Å; V14-I17 PolarHBondContact O-N 3.44Å; I17-M20 HydrophobicContact CG1-CE 4.22Å; I17-M20 PolarHBondContact O-N 3.11Å; I17-L21 VanDerWaalsContact O-CB 3.26Å; I17-L21 WeakPolarHBondContact O-CB 3.15Å; I17-L21 PolarHBondContact O-N 3.19Å
18I95.9Very high93.3Very high97 Ų9764.2 Ų64.250%0.49734%0.336SS..Hα-helixtrans-62-44.5176.4-70.4168000110.7V14 L15 L21 A22V14-I18 HydrophobicContact CG1-CD1 3.77Å; V14-I18 HydrophobicContact CG1-CG1 4.45Å; V14-I18 VanDerWaalsContact O-CG1 3.27Å; V14-I18 WeakPolarHBondContact O-CG1 3.13Å; V14-I18 PolarHBondContact O-N 3.38Å; L15-I18 PolarHBondContact O-N 3.27Å; I18-L21 PolarHBondContact O-N 3.47Å; I18-A22 WeakPolarHBondContact O-CB 3.2Å; I18-A22 PolarHBondContact O-N 2.88Å
19M94.9Very high93.1Very high30 Ų3064 Ų6415%0.14834%0.344CS..Hα-helixtrans-61.8-44.8176.4-75.9-173.7-69.700111.8L15 A16 L21 A22 G23 V374 L480 F483 V484L15-M19 WeakPolarHBondContact O-CG 3.38Å; L15-M19 PolarHBondContact O-N 2.81Å; A16-M19 PolarHBondContact O-N 3.12Å; M19-L21 VanDerWaalsContact C-N 3.34Å; M19-L21 PolarHBondContact O-N 3.18Å; M19-A22 PolarHBondContact O-N 2.73Å; M19-G23 PolarHBondContact O-N 2.95Å; M19-V374 HydrophobicContact CB-CG1 4.41Å; M19-V374 HydrophobicContact CE-CG1 3.77Å; M19-L480 HydrophobicContact SD-CD2 3.9Å; M19-F483 HydrophobicContact CE-CD1 4.07Å; M19-F483 HydrophobicContact CE-CE1 3.9Å; M19-F483 HydrophobicContact SD-CD1 4.28Å; M19-F483 HydrophobicContact SD-CE1 4.27Å; M19-V484 HydrophobicContact CE-CG2 3.99Å
20M95.5Very high93Very high52 Ų5262.7 Ų62.726%0.25634%0.335SS..Hα-helixtrans-63.6-39.8176-71.7-169-64.800112.3A16 I17 G23 G24 V374 L377A16-M20 WeakPolarHBondContact O-CG 3.47Å; A16-M20 PolarHBondContact O-N 2.94Å; I17-M20 HydrophobicContact CG1-CE 4.22Å; I17-M20 PolarHBondContact O-N 3.11Å; M20-G23 PolarHBondContact O-N 3.14Å; M20-G24 PolarHBondContact O-N 3.25Å; M20-V374 HydrophobicContact CE-CG2 4.23Å; M20-V374 HydrophobicContact CG-CB 4.27Å; M20-V374 HydrophobicContact CG-CG2 3.87Å; M20-V374 HydrophobicContact SD-CG2 3.68Å; M20-L377 HydrophobicContact CB-CD1 3.77Å; M20-L377 HydrophobicContact CG-CB 4.42Å; M20-L377 HydrophobicContact CG-CD1 3.76Å; M20-L377 HydrophobicContact SD-CD1 4.31Å
21L95.9Very high92.7Very high112 Ų11260.3 Ų60.359%0.58632%0.322SS*.Hα-helixtrans-68.6-44179.2-169.9120.4000111.4I17 I18 M19 G23 G24 L25I17-L21 VanDerWaalsContact O-CB 3.26Å; I17-L21 WeakPolarHBondContact O-CB 3.15Å; I17-L21 PolarHBondContact O-N 3.19Å; I18-L21 PolarHBondContact O-N 3.47Å; M19-L21 VanDerWaalsContact C-N 3.34Å; M19-L21 PolarHBondContact O-N 3.18Å; L21-G23 VanDerWaalsContact C-N 3.31Å; L21-G23 PolarHBondContact O-N 2.97Å; L21-G24 PolarHBondContact O-N 3.35Å; L21-L25 HydrophobicContact CD2-CD1 3.87Å; L21-L25 HydrophobicContact CG-CD1 4.34Å; L21-L25 WeakPolarHBondContact O-CB 3.41Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 2.97Å
22A95.3Very high92.3Very high42 Ų4257.8 Ų57.835%0.34731%0.314SS..Hα-helixtrans-60.6-43.217400000111.1I18 M19 A26 A381I18-A22 WeakPolarHBondContact O-CB 3.2Å; I18-A22 PolarHBondContact O-N 2.88Å; M19-A22 PolarHBondContact O-N 2.73Å; A22-A26 VanDerWaalsContact O-CB 3.25Å; A22-A26 WeakPolarHBondContact O-CB 3.48Å; A22-A26 PolarHBondContact O-N 3.24Å; A22-A381 HydrophobicContact CB-CB 3.99Å
23G93.9Very high91.6Very high0 Ų058.8 Ų58.80%032%0.322CS..Hα-helixtrans-64-4517500000113.9M19 M20 L21 L25 A26 I27 L377M19-G23 PolarHBondContact O-N 2.95Å; M20-G23 PolarHBondContact O-N 3.14Å; L21-G23 VanDerWaalsContact C-N 3.31Å; L21-G23 PolarHBondContact O-N 2.97Å; G23-L25 PolarHBondContact O-N 3.37Å; G23-A26 WeakPolarHBondContact O-CB 3.48Å; G23-A26 PolarHBondContact O-N 2.95Å; G23-I27 WeakPolarHBondContact O-CG1 3.3Å; G23-I27 PolarHBondContact O-N 2.8Å; G23-L377 WeakPolarHBondContact CA-O 3.42Å
24G93.9Very high91Very high29 Ų2955.5 Ų55.530%0.29931%0.311SS..Hα-helixtrans-61.7-43177.200000112.2M20 L21 M28M20-G24 PolarHBondContact O-N 3.25Å; L21-G24 PolarHBondContact O-N 3.35Å; G24-M28 PolarHBondContact O-N 2.83Å
25L94.1Very high90.3Very high97 Ų9753.5 Ų53.551%0.50830%0.296SS..Hα-helixtrans-66.5-38.4173.6-72.7168.8000112.1L21 G23 M28L21-L25 HydrophobicContact CD2-CD1 3.87Å; L21-L25 HydrophobicContact CG-CD1 4.34Å; L21-L25 WeakPolarHBondContact O-CB 3.41Å; L21-L25 WeakPolarHBondContact O-CG 3.38Å; L21-L25 PolarHBondContact O-N 2.97Å; G23-L25 PolarHBondContact O-N 3.37Å; L25-M28 PolarHBondContact O-N 3.47Å
26A93Very high89.8Confident7 Ų751.9 Ų51.96%0.05829%0.289CS..Hα-helixtrans-62-44.8176.600000111.7A22 G23 M28 N29 L30A22-A26 VanDerWaalsContact O-CB 3.25Å; A22-A26 WeakPolarHBondContact O-CB 3.48Å; A22-A26 PolarHBondContact O-N 3.24Å; G23-A26 WeakPolarHBondContact O-CB 3.48Å; G23-A26 PolarHBondContact O-N 2.95Å; A26-M28 PolarHBondContact O-N 3.02Å; A26-N29 PolarHBondContact O-N 3.34Å; A26-L30 HydrophobicContact CB-CD1 4.37Å; A26-L30 WeakPolarHBondContact O-CB 3.35Å; A26-L30 VanDerWaalsContact O-CG 3.22Å; A26-L30 WeakPolarHBondContact O-CG 3.35Å; A26-L30 PolarHBondContact O-N 3.37Å
27I90.5Very high88.9Confident66 Ų6656 Ų5634%0.33831%0.308SS..Hα-helixtrans-56.5-36177.5-70.2166.3000111.8G23 N29 L377 F380 I390G23-I27 WeakPolarHBondContact O-CG1 3.3Å; G23-I27 PolarHBondContact O-N 2.8Å; I27-N29 VanDerWaalsContact C-N 3.29Å; I27-N29 PolarHBondContact O-N 3.45Å; I27-L377 HydrophobicContact CD1-CD2 3.48Å; I27-L377 VanDerWaalsContact CD1-CD2 3.48Å; I27-F380 HydrophobicContact CD1-CB 4.46Å; I27-F380 HydrophobicContact CD1-CD2 3.6Å; I27-F380 HydrophobicContact CD1-CE2 3.93Å; I27-F380 HydrophobicContact CD1-CG 4.07Å; I27-F380 HydrophobicContact CG1-CB 3.93Å; I27-F380 HydrophobicContact CG1-CD1 4.12Å; I27-F380 HydrophobicContact CG1-CD2 3.77Å; I27-F380 HydrophobicContact CG1-CE2 4.24Å; I27-F380 HydrophobicContact CG1-CG 3.68Å; I27-I390 HydrophobicContact CG2-CD1 4.45Å
28M87.9Confident88.2Confident153 Ų15351.8 Ų51.875%0.75429%0.286SS*.Hα-helixtrans-70.6-23.3-179.7-65.6-17969.300113.8G24 L25 A26G24-M28 PolarHBondContact O-N 2.83Å; L25-M28 PolarHBondContact O-N 3.47Å; A26-M28 PolarHBondContact O-N 3.02Å
29N85.8Confident87.4Confident132 Ų13247.9 Ų47.971%0.70627%0.268SS*.Hα-helixtrans-111.2-11.3-175.6-66.7-26.4000113.3A26 I27A26-N29 PolarHBondContact O-N 3.34Å; I27-N29 VanDerWaalsContact C-N 3.29Å; I27-N29 PolarHBondContact O-N 3.45Å
30L87.3Confident86.8Confident12 Ų1247.8 Ų47.86%0.06327%0.27CS..SBendtrans-70.8129.5-178.3-88.3169.5000110.6A26 F380 F388 I390A26-L30 HydrophobicContact CB-CD1 4.37Å; A26-L30 WeakPolarHBondContact O-CB 3.35Å; A26-L30 VanDerWaalsContact O-CG 3.22Å; A26-L30 WeakPolarHBondContact O-CG 3.35Å; A26-L30 PolarHBondContact O-N 3.37Å; L30-F380 HydrophobicContact CD1-CB 4.31Å; L30-F380 HydrophobicContact CD1-CD1 3.95Å; L30-F388 WeakPolarHBondContact CD2-O 3.36Å; L30-I390 HydrophobicContact CB-CD1 3.9Å; L30-I390 HydrophobicContact CB-CG1 3.91Å; L30-I390 HydrophobicContact CD1-CD1 4.19Å; L30-I390 HydrophobicContact CD1-CG1 4Å
31P84.4Confident86.5Confident59 Ų5946 Ų4638%0.38326%0.262SS..  trans-63.4143.7173.1-16.128.2000110.4T389 I390P31-T389 HydrophobicContact CB-CG2 3.84Å; P31-T389 HydrophobicContact CG-CG2 4.12Å; P31-T389 WeakPolarHBondContact O-CA 3.49Å; P31-T389 VanDerWaalsContact O-CB 3.24Å; P31-T389 WeakPolarHBondContact O-CB 3.22Å; P31-I390 PolarHBondContact O-N 3.15Å
32V84.6Confident86.1Confident38 Ų3841.9 Ų41.923%0.2324%0.242CC..BIsolated β-bridgetrans-110.3116.3179.7-174.90000110.9N298 L300 I337 I390V32-N298 VanDerWaalsContact C-ND2 3.32Å; V32-N298 PolarHBondContact N-ND2 3.35Å; V32-N298 PolarHBondContact O-ND2 3.47Å; V32-N298 PolarHBondContact O-OD1 2.82Å; V32-L300 HydrophobicContact CB-CD1 3.85Å; V32-L300 HydrophobicContact CG1-CD1 3.48Å; V32-L300 VanDerWaalsContact CG1-CD1 3.48Å; V32-I337 HydrophobicContact CB-CD1 4.46Å; V32-I337 HydrophobicContact CG1-CD1 2.96Å; V32-I337 HydrophobicContact CG1-CG1 4.45Å; V32-I390 WeakPolarHBondContact CA-O 3.36Å; V32-I390 HydrophobicContact CG2-CB 4.33Å
33A78.8Confident86Confident21 Ų2140 Ų4017%0.17423%0.226CC..  trans-134.3158.4-179.600000110.4Y35 I390 N391A33-Y35 WeakPolarHBondContact CB-O 3.49Å; A33-I390 PolarHBondContact N-O 2.78Å; A33-I390 VanDerWaalsContact O-O 3.12Å; A33-N391 WeakPolarHBondContact O-CA 3.42Å; A33-N391 WeakPolarHBondContact O-CB 3.25Å
34Q80Confident85.8Confident22 Ų2240.9 Ų40.910%0.10323%0.231CC..SBendtrans-66.7-48.4174.5-169.8-175.3-15.200110.8F332 I333 T392 A668Q34-F332 HydrophobicContact CG-CD1 4.32Å; Q34-F332 HydrophobicContact CG-CE1 4.23Å; Q34-I333 HydrophobicContact CB-CD1 4.11Å; Q34-I333 HydrophobicContact CB-CG1 3.98Å; Q34-I333 HydrophobicContact CB-CG2 4.36Å; Q34-T392 WeakPolarHBondContact O-CB 3.33Å; Q34-T392 PolarHBondContact O-N 3.12Å; Q34-T392 PolarHBondContact O-OG1 3.36Å; Q34-T392 VanDerWaalsContact O-OG1 3.08Å; Q34-A668 PolarHBondContact NE2-O 3.29Å
35Y81.9Confident85.8Confident22 Ų2239.6 Ų39.69%0.08622%0.217CC..SBendtrans-129156.1177.2-72.8-75.6000109.3A33 I38 L393 A668 V669A33-Y35 WeakPolarHBondContact CB-O 3.49Å; Y35-I38 HydrophobicContact CD1-CD1 4.16Å; Y35-I38 HydrophobicContact CG-CD1 4.27Å; Y35-L393 HydrophobicContact CD1-CD1 4.01Å; Y35-L393 HydrophobicContact CD1-CD2 4.46Å; Y35-L393 HydrophobicContact CD1-CG 3.98Å; Y35-L393 HydrophobicContact CE1-CD1 4.48Å; Y35-L393 HydrophobicContact CE1-CD2 4.14Å; Y35-L393 HydrophobicContact CE1-CG 4.13Å; Y35-A668 HydrophobicContact CE2-CB 4.35Å; Y35-A668 WeakPolarHBondContact CE2-O 3.44Å; Y35-V669 HydrophobicContact CD1-CG2 4.03Å; Y35-V669 HydrophobicContact CD2-CB 4.49Å; Y35-V669 HydrophobicContact CD2-CG2 3.58Å; Y35-V669 HydrophobicContact CE1-CG2 4.35Å; Y35-V669 HydrophobicContact CE2-CG2 3.94Å; Y35-V669 HydrophobicContact CG-CG2 3.64Å
36P82.2Confident85.7Confident9 Ų937 Ų376%0.05821%0.207CC..  trans-62.5170.8165.333.9-39.6000109.6I38 L393 Q469P36-I38 HydrophobicContact CG-CD1 4.08Å; P36-I38 HydrophobicContact CG-CG1 3.76Å; P36-I38 WeakPolarHBondContact O-CG1 3.46Å; P36-I38 PolarHBondContact O-N 3.03Å; P36-L393 HydrophobicContact CG-CD1 4.07Å; P36-Q469 HydrophobicContact CB-CG 3.86Å; P36-Q469 HydrophobicContact CG-CG 3.56Å
37Q75.9Confident85.8Confident87 Ų8736.9 Ų36.941%0.40721%0.206SC..SBendtrans-72.594.2175.1-155.5169.613.900109.4
38I79.6Confident85.8Confident0 Ų035.9 Ų35.90%020%0.203CC..  trans-94.8-30.5-175.3-60.9158000109.9Y35 P36 A462 I466 V669 L672Y35-I38 HydrophobicContact CD1-CD1 4.16Å; Y35-I38 HydrophobicContact CG-CD1 4.27Å; P36-I38 HydrophobicContact CG-CD1 4.08Å; P36-I38 HydrophobicContact CG-CG1 3.76Å; P36-I38 WeakPolarHBondContact O-CG1 3.46Å; P36-I38 PolarHBondContact O-N 3.03Å; I38-A462 HydrophobicContact CG2-CB 3.53Å; I38-A462 WeakPolarHBondContact CG2-O 3.48Å; I38-I466 HydrophobicContact CD1-CD1 3.99Å; I38-I466 HydrophobicContact CD1-CG1 3.61Å; I38-I466 HydrophobicContact CG1-CG1 3.96Å; I38-I466 HydrophobicContact CG2-CD1 4.45Å; I38-I466 HydrophobicContact CG2-CG1 4.32Å; I38-V669 HydrophobicContact CD1-CG1 4.29Å; I38-V669 HydrophobicContact CD1-CG2 3.78Å; I38-L672 HydrophobicContact CG2-CD1 4.47Å; I38-L672 HydrophobicContact CG2-CD2 4.39Å
39A79.5Confident86.1Confident16 Ų1631.6 Ų31.613%0.13218%0.179CC..SBendtrans-69.1141.1-178.400000111E671 L672A39-E671 HydrophobicContact CB-CB 3.37Å; A39-E671 HydrophobicContact CB-CG 4.48Å; A39-E671 WeakPolarHBondContact CB-O 3.31Å; A39-L672 HydrophobicContact CB-CD2 4.29Å
40P83.8Confident86.1Confident27 Ų2729 Ų2918%0.17517%0.17CC..PPolyproline II helixtrans-62.6145.3171.3-4.617.4000110T42 M76 T93 F94P40-T42 PolarHBondContact O-N 3.34Å; P40-M76 HydrophobicContact CB-SD 4.23Å; P40-M76 HydrophobicContact CG-SD 4.4Å; P40-T93 HydrophobicContact CB-CG2 3.73Å; P40-T93 HydrophobicContact CG-CG2 4Å; P40-F94 WeakPolarHBondContact CB-O 3.49Å
41P87.3Confident86Confident14 Ų1432.4 Ų32.49%0.09121%0.208CC..PPolyproline II helixtrans-65.3135.5-178.921.2-26.6000111.2F94 T98 P100P41-F94 WeakPolarHBondContact CD-O 3.44Å; P41-F94 HydrophobicContact CG-CB 4.07Å; P41-F94 PolarHBondContact O-N 3.41Å; P41-T98 WeakPolarHBondContact CG-O 3.38Å; P41-P100 HydrophobicContact CB-CB 4.44Å; P41-P100 HydrophobicContact CB-CG 4.03Å
42T88.8Confident86.3Confident27 Ų2730.1 Ų30.117%0.16619%0.194CC..EExtended strand (participates in β ladder)trans-121.8135.3-176.752.70000111.6P40 T91 L92 T93 S132P40-T42 PolarHBondContact O-N 3.34Å; T42-T91 HydrophobicContact CG2-CG2 4.37Å; T42-L92 WeakPolarHBondContact CA-O 3.45Å; T42-T93 HydrophobicContact CG2-CG2 4.15Å; T42-S132 PolarHBondContact OG1-O 3.13Å; T42-S132 VanDerWaalsContact OG1-O 3.13Å
43I91.9Very high86.5Confident1 Ų131.4 Ų31.41%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-111.5126.9170-53.1-57.7000108L92 F94 A103 Q104 V107 V129 K131I43-L92 PolarHBondContact N-O 3.19Å; I43-L92 PolarHBondContact O-N 3.35Å; I43-F94 HydrophobicContact CB-CE2 4.22Å; I43-F94 HydrophobicContact CG1-CD2 4.32Å; I43-F94 HydrophobicContact CG1-CE2 3.74Å; I43-A103 HydrophobicContact CD1-CB 4.25Å; I43-A103 HydrophobicContact CG1-CB 3.93Å; I43-Q104 HydrophobicContact CD1-CB 3.84Å; I43-V107 HydrophobicContact CB-CG2 4.2Å; I43-V107 HydrophobicContact CG1-CG2 4.4Å; I43-V107 HydrophobicContact CG2-CB 4.08Å; I43-V107 HydrophobicContact CG2-CG1 3.95Å; I43-V107 HydrophobicContact CG2-CG2 4.09Å; I43-V129 HydrophobicContact CG2-CG1 3.54Å; I43-K131 HydrophobicContact CD1-CG 3.79Å
44T91Very high87Confident20 Ų2032 Ų3212%0.12320%0.204CC..EExtended strand (participates in β ladder)trans-107.7125.8177.3-54.70000109.7S89 I90 V129 D130T44-S89 WeakPolarHBondContact CG2-OG 3.13Å; T44-I90 CarbonylContact C-O 3.53Å; T44-I90 WeakPolarHBondContact CA-O 3.44Å; T44-V129 WeakPolarHBondContact O-CA 3.36Å; T44-D130 PolarHBondContact N-O 3.34Å; T44-D130 PolarHBondContact O-N 3.01Å
45V94.1Very high87.5Confident1 Ų135.6 Ų35.61%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-101.9123170.8-176.80000107.9I65 S89 I90 L92 V107 L111 I127 S128 V129V45-I65 HydrophobicContact CG1-CD1 4.47Å; V45-S89 WeakPolarHBondContact O-CA 3.37Å; V45-I90 HydrophobicContact CB-CB 4.34Å; V45-I90 PolarHBondContact N-O 3.44Å; V45-I90 PolarHBondContact O-N 2.81Å; V45-L92 HydrophobicContact CG2-CD1 4.01Å; V45-V107 HydrophobicContact CG2-CG1 3.51Å; V45-L111 HydrophobicContact CG1-CD1 4.26Å; V45-L111 HydrophobicContact CG1-CD2 4.06Å; V45-I127 HydrophobicContact CG1-CG2 3.48Å; V45-I127 VanDerWaalsContact CG1-CG2 3.48Å; V45-S128 CarbonylContact C-O 3.55Å; V45-S128 WeakPolarHBondContact CA-O 3.36Å; V45-V129 HydrophobicContact CG1-CG2 4.44Å; V45-V129 HydrophobicContact CG2-CG1 4.36Å; V45-V129 HydrophobicContact CG2-CG2 4.25Å
46S92.3Very high88.1Confident42 Ų4236.9 Ų36.929%0.29423%0.231SC..EExtended strand (participates in β ladder)trans-122.2132.9179.7-52.20000111.1A88 I127 S128S46-A88 WeakPolarHBondContact CA-O 3.27Å; S46-I127 WeakPolarHBondContact O-CA 3.47Å; S46-I127 WeakPolarHBondContact O-CG2 3.27Å; S46-S128 PolarHBondContact N-O 3.41Å; S46-S128 PolarHBondContact O-N 3.45Å
47A93.5Very high88.7Confident5 Ų536.4 Ų36.44%0.04123%0.229CC..EExtended strand (participates in β ladder)trans-137.8152177.600000110.4V61 N87 A88 V122 I127A47-V61 HydrophobicContact CB-CG1 4.03Å; A47-N87 WeakPolarHBondContact O-CA 3.38Å; A47-A88 HydrophobicContact CB-CB 4.44Å; A47-A88 PolarHBondContact N-O 3.02Å; A47-A88 PolarHBondContact O-N 2.96Å; A47-V122 HydrophobicContact CB-CG1 3.92Å; A47-I127 HydrophobicContact CB-CG1 4.11Å; A47-I127 HydrophobicContact CB-CG2 4.28Å
48T91.3Very high89.6Confident45 Ų4535.9 Ų35.928%0.27623%0.226SC..EExtended strand (participates in β ladder)trans-126.3130.4175.8-58.10000109.4P50 G86 N87T48-P50 HydrophobicContact CG2-CG 4.39Å; T48-P50 WeakPolarHBondContact O-CD 3.39Å; T48-G86 CarbonylContact C-O 3.5Å; T48-G86 WeakPolarHBondContact CA-O 3.4Å; T48-N87 PolarHBondContact OG1-OD1 2.9Å; T48-N87 VanDerWaalsContact OG1-OD1 3.09Å
49Y93.5Very high90.3Very high63 Ų6339.2 Ų39.225%0.24724%0.244CC..  trans-113.691.8172-166.411.6000109.8G51 A52 T56 V61 G86 P119 A121 V122Y49-G51 PolarHBondContact O-N 3.21Å; Y49-G51 VanDerWaalsContact O-N 3.16Å; Y49-A52 HydrophobicContact CD1-CB 4.47Å; Y49-A52 HydrophobicContact CD2-CB 3.37Å; Y49-A52 HydrophobicContact CE2-CB 3.95Å; Y49-A52 HydrophobicContact CG-CB 3.68Å; Y49-A52 WeakPolarHBondContact O-CB 3.33Å; Y49-A52 PolarHBondContact O-N 3.31Å; Y49-A52 VanDerWaalsContact O-N 3.12Å; Y49-T56 HydrophobicContact CD2-CG2 4.35Å; Y49-T56 HydrophobicContact CE2-CG2 3.9Å; Y49-V61 HydrophobicContact CD2-CG2 4.29Å; Y49-G86 PolarHBondContact N-O 3.14Å; Y49-G86 WeakPolarHBondContact O-CA 3.2Å; Y49-P119 HydrophobicContact CE1-CB 4.21Å; Y49-P119 HydrophobicContact CE2-CB 4.33Å; Y49-P119 HydrophobicContact CE2-CG 4.01Å; Y49-A121 HydrophobicContact CD1-CB 4.04Å; Y49-A121 HydrophobicContact CE1-CB 3.75Å; Y49-V122 HydrophobicContact CD1-CG2 3.74Å; Y49-V122 HydrophobicContact CD2-CG2 4.28Å; Y49-V122 HydrophobicContact CG-CG2 3.61Å
50P87.5Confident91.1Very high79 Ų7940.6 Ų40.651%0.51325%0.252SS..THydrogen-bonded Turntrans-57.5121-170.5-26.735000113.1T48 A52T48-P50 HydrophobicContact CG2-CG 4.39Å; T48-P50 WeakPolarHBondContact O-CD 3.39Å; P50-A52 VanDerWaalsContact C-N 3.33Å
51G84.9Confident91.7Very high83 Ų8339.3 Ų39.386%0.85624%0.244SC*.THydrogen-bonded Turntrans81.82.1176.300000115.6Y49Y49-G51 PolarHBondContact O-N 3.21Å; Y49-G51 VanDerWaalsContact O-N 3.16Å
52A89.2Confident92.1Very high11 Ų1138.7 Ų38.79%0.09124%0.24CC..  trans-76.414317100000110.9Y49 P50 T56 V57Y49-A52 HydrophobicContact CD1-CB 4.47Å; Y49-A52 HydrophobicContact CD2-CB 3.37Å; Y49-A52 HydrophobicContact CE2-CB 3.95Å; Y49-A52 HydrophobicContact CG-CB 3.68Å; Y49-A52 WeakPolarHBondContact O-CB 3.33Å; Y49-A52 PolarHBondContact O-N 3.31Å; Y49-A52 VanDerWaalsContact O-N 3.12Å; P50-A52 VanDerWaalsContact C-N 3.33Å; A52-T56 HydrophobicContact CB-CG2 4Å; A52-V57 HydrophobicContact CB-CG2 3.69Å
53D89.7Confident92.4Very high64 Ų6440.5 Ų40.534%0.34225%0.247SC..  trans-77.2165.5167.866.7-78.9000111.2Q55 T56 V57D53-Q55 VanDerWaalsContact C-N 3.3Å; D53-Q55 PolarHBondContact O-N 3.47Å; D53-Q55 WeakPolarHBondContact OD2-CB 3.46Å; D53-Q55 PolarHBondContact OD2-N 3.25Å; D53-T56 PolarHBondContact O-N 3.2Å; D53-T56 VanDerWaalsContact O-N 3.13Å; D53-T56 WeakPolarHBondContact OD1-CB 3.38Å; D53-T56 PolarHBondContact OD1-OG1 3.24Å; D53-T56 PolarHBondContact OD2-N 3.18Å; D53-V57 WeakPolarHBondContact O-CG2 3.46Å; D53-V57 PolarHBondContact O-N 3.29Å
54A89Confident92.6Very high34 Ų3441.9 Ų41.928%0.28126%0.255SS..Hα-helixtrans-56.5-39.7-174.200000113.4V57 E58A54-V57 PolarHBondContact O-N 2.89Å; A54-E58 WeakPolarHBondContact O-CB 3.42Å; A54-E58 PolarHBondContact O-N 3.1Å
55Q91.4Very high92.8Very high97 Ų9741 Ų4145%0.45325%0.249SC..Hα-helixtrans-67.5-44.7179.2-175.17042.400110.7D53 V57 E58 D59D53-Q55 VanDerWaalsContact C-N 3.3Å; D53-Q55 PolarHBondContact O-N 3.47Å; D53-Q55 WeakPolarHBondContact OD2-CB 3.46Å; D53-Q55 PolarHBondContact OD2-N 3.25Å; Q55-V57 VanDerWaalsContact C-N 3.29Å; Q55-V57 PolarHBondContact O-N 3.13Å; Q55-E58 WeakPolarHBondContact O-CB 3.45Å; Q55-E58 PolarHBondContact O-N 3.39Å; Q55-D59 VanDerWaalsContact NE2-CG 3.34Å; Q55-D59 PolarHBondContact NE2-OD1 3.4Å; Q55-D59 VanDerWaalsContact NE2-OD1 3.11Å; Q55-D59 PolarHBondContact NE2-OD2 2.89Å; Q55-D59 PolarHBondContact O-N 2.91Å
56T93.7Very high92.9Very high49 Ų4943 Ų4330%0.30126%0.259SS..Hα-helixtrans-60.7-40.7176.9-63.10000111.6Y49 A52 D53 S60Y49-T56 HydrophobicContact CD2-CG2 4.35Å; Y49-T56 HydrophobicContact CE2-CG2 3.9Å; A52-T56 HydrophobicContact CB-CG2 4Å; D53-T56 PolarHBondContact O-N 3.2Å; D53-T56 VanDerWaalsContact O-N 3.13Å; D53-T56 WeakPolarHBondContact OD1-CB 3.38Å; D53-T56 PolarHBondContact OD1-OG1 3.24Å; D53-T56 PolarHBondContact OD2-N 3.18Å; T56-S60 WeakPolarHBondContact O-CB 3.43Å; T56-S60 PolarHBondContact O-N 2.98Å; T56-S60 PolarHBondContact O-OG 3.27Å
57V94.2Very high92.9Very high0 Ų047.2 Ų47.20%027%0.274CS..Hα-helixtrans-63.3-46.5174.3176.10000110.9A52 D53 A54 Q55 V61 T62 A88A52-V57 HydrophobicContact CB-CG2 3.69Å; D53-V57 WeakPolarHBondContact O-CG2 3.46Å; D53-V57 PolarHBondContact O-N 3.29Å; A54-V57 PolarHBondContact O-N 2.89Å; Q55-V57 VanDerWaalsContact C-N 3.29Å; Q55-V57 PolarHBondContact O-N 3.13Å; V57-V61 WeakPolarHBondContact O-CA 3.33Å; V57-V61 VanDerWaalsContact O-CB 3.32Å; V57-V61 WeakPolarHBondContact O-CB 3.32Å; V57-V61 PolarHBondContact O-N 3.38Å; V57-T62 PolarHBondContact O-N 3.41Å; V57-A88 HydrophobicContact CG1-CB 3.68Å
58E95.2Very high92.9Very high75 Ų7549.5 Ų49.535%0.3529%0.286SS..Iπ-helixtrans-57.7-54.4179.4-173.6-174.115900111.5A54 Q55 T62 Q63A54-E58 WeakPolarHBondContact O-CB 3.42Å; A54-E58 PolarHBondContact O-N 3.1Å; Q55-E58 WeakPolarHBondContact O-CB 3.45Å; Q55-E58 PolarHBondContact O-N 3.39Å; E58-T62 PolarHBondContact O-N 2.93Å; E58-Q63 HydrophobicContact CG-CG 4.33Å; E58-Q63 WeakPolarHBondContact O-CB 3.33Å; E58-Q63 WeakPolarHBondContact O-CG 3.31Å; E58-Q63 PolarHBondContact O-N 3.15Å; E58-Q63 PolarHBondContact OE1-NE2 2.92Å
59D95.3Very high93.1Very high71 Ų7147.4 Ų47.438%0.3827%0.273SS..Iπ-helixtrans-71.5-36.5-173.9-66.6-26.1000112.4Q55Q55-D59 VanDerWaalsContact NE2-CG 3.34Å; Q55-D59 PolarHBondContact NE2-OD1 3.4Å; Q55-D59 VanDerWaalsContact NE2-OD1 3.11Å; Q55-D59 PolarHBondContact NE2-OD2 2.89Å; Q55-D59 PolarHBondContact O-N 2.91Å
60S95.3Very high92.9Very high44 Ų4449.5 Ų49.531%0.30829%0.288SS..Iπ-helixtrans-96.3-21.5-171.3-50.90000114.2T56 P119T56-S60 WeakPolarHBondContact O-CB 3.43Å; T56-S60 PolarHBondContact O-N 2.98Å; T56-S60 PolarHBondContact O-OG 3.27Å; S60-P119 WeakPolarHBondContact O-CD 3.5Å
61V96Very high93Very high1 Ų149.1 Ų49.11%0.00630%0.298CS..Iπ-helixtrans-124.4-60.9-174.7-175.20000110.3A47 Y49 V57 V64 I65 A88 L118 P119 V122A47-V61 HydrophobicContact CB-CG1 4.03Å; Y49-V61 HydrophobicContact CD2-CG2 4.29Å; V57-V61 WeakPolarHBondContact O-CA 3.33Å; V57-V61 VanDerWaalsContact O-CB 3.32Å; V57-V61 WeakPolarHBondContact O-CB 3.32Å; V57-V61 PolarHBondContact O-N 3.38Å; V61-V64 PolarHBondContact O-N 3.12Å; V61-I65 HydrophobicContact CG1-CD1 3.91Å; V61-I65 WeakPolarHBondContact O-CG1 3.42Å; V61-I65 PolarHBondContact O-N 3.24Å; V61-A88 HydrophobicContact CG1-CB 4.15Å; V61-L118 HydrophobicContact CG1-CD2 4.41Å; V61-P119 HydrophobicContact CG2-CG 4.46Å; V61-V122 HydrophobicContact CG1-CG1 4.36Å; V61-V122 HydrophobicContact CG2-CG2 3.76Å
62T95.9Very high93.5Very high1 Ų145.8 Ų45.81%0.00626%0.261CS..Iπ-helixtrans-62.9-56.8-169.9-52.30000111.4V57 E58 V64 I65 E66 S80 S82 A88 I90V57-T62 PolarHBondContact O-N 3.41Å; E58-T62 PolarHBondContact O-N 2.93Å; T62-V64 VanDerWaalsContact C-N 3.27Å; T62-V64 PolarHBondContact O-N 3.22Å; T62-I65 PolarHBondContact O-N 2.86Å; T62-I65 VanDerWaalsContact O-N 3.15Å; T62-E66 HydrophobicContact CG2-CG 4.38Å; T62-E66 WeakPolarHBondContact O-CG 3.37Å; T62-E66 PolarHBondContact O-N 2.91Å; T62-S80 VanDerWaalsContact CG2-CB 3.48Å; T62-S80 WeakPolarHBondContact CG2-OG 3.48Å; T62-S82 PolarHBondContact OG1-OG 3.26Å; T62-A88 WeakPolarHBondContact OG1-CB 3.46Å; T62-I90 HydrophobicContact CG2-CD1 4.27Å; T62-I90 HydrophobicContact CG2-CG1 4.04Å
63Q95.3Very high93.7Very high65 Ų6550.6 Ų50.630%0.30429%0.285SS..Hα-helixtrans-59.7-37.4-179.9-74.7-178.810.100112.4E58 E66 Q67E58-Q63 HydrophobicContact CG-CG 4.33Å; E58-Q63 WeakPolarHBondContact O-CB 3.33Å; E58-Q63 WeakPolarHBondContact O-CG 3.31Å; E58-Q63 PolarHBondContact O-N 3.15Å; E58-Q63 PolarHBondContact OE1-NE2 2.92Å; Q63-E66 PolarHBondContact O-N 3.32Å; Q63-Q67 WeakPolarHBondContact O-CB 3.5Å; Q63-Q67 WeakPolarHBondContact O-CG 3.49Å; Q63-Q67 PolarHBondContact O-N 3.03Å
64V95.5Very high93.8Very high29 Ų2948.8 Ų48.818%0.17628%0.281CS..Hα-helixtrans-64-43.2179.1178.80000110.8V61 T62 N68 L118V61-V64 PolarHBondContact O-N 3.12Å; T62-V64 VanDerWaalsContact C-N 3.27Å; T62-V64 PolarHBondContact O-N 3.22Å; V64-N68 PolarHBondContact O-ND2 2.83Å; V64-L118 HydrophobicContact CB-CD2 3.91Å; V64-L118 HydrophobicContact CG1-CD2 3.76Å
65I95.8Very high94.1Very high1 Ų149.5 Ų49.51%0.00528%0.28CS..Hα-helixtrans-67.4-49.2176-63.5171.7000109.6V45 V61 T62 Q67 N68 M69 I90 L111 L118 I127V45-I65 HydrophobicContact CG1-CD1 4.47Å; V61-I65 HydrophobicContact CG1-CD1 3.91Å; V61-I65 WeakPolarHBondContact O-CG1 3.42Å; V61-I65 PolarHBondContact O-N 3.24Å; T62-I65 PolarHBondContact O-N 2.86Å; T62-I65 VanDerWaalsContact O-N 3.15Å; I65-Q67 PolarHBondContact O-N 2.94Å; I65-N68 PolarHBondContact O-N 3.27Å; I65-M69 HydrophobicContact CG2-CE 3.95Å; I65-M69 HydrophobicContact CG2-CG 4.27Å; I65-M69 WeakPolarHBondContact O-CG 3.46Å; I65-M69 PolarHBondContact O-N 3.18Å; I65-I90 HydrophobicContact CB-CD1 3.48Å; I65-I90 VanDerWaalsContact CB-CD1 3.48Å; I65-I90 HydrophobicContact CD1-CD1 4.02Å; I65-I90 HydrophobicContact CG1-CD1 4.34Å; I65-I90 HydrophobicContact CG2-CD1 3.39Å; I65-L111 HydrophobicContact CD1-CD1 4.02Å; I65-L111 HydrophobicContact CG1-CD1 3.96Å; I65-L111 HydrophobicContact CG2-CD1 3.95Å; I65-L118 HydrophobicContact CD1-CD1 4.26Å; I65-L118 HydrophobicContact CD1-CD2 4.49Å; I65-L118 HydrophobicContact CG1-CD1 4.2Å; I65-L118 HydrophobicContact CG1-CD2 4.01Å; I65-I127 HydrophobicContact CD1-CD1 4.45Å
66E95.4Very high94.1Very high45 Ų4549.6 Ų49.621%0.2128%0.282CS..Hα-helixtrans-54.4-48-179.6-74.9-172.7154.800113.3T62 Q63 N68 M69 M78 S80 I90T62-E66 HydrophobicContact CG2-CG 4.38Å; T62-E66 WeakPolarHBondContact O-CG 3.37Å; T62-E66 PolarHBondContact O-N 2.91Å; Q63-E66 PolarHBondContact O-N 3.32Å; E66-N68 PolarHBondContact O-N 2.82Å; E66-N68 VanDerWaalsContact O-N 3.14Å; E66-M69 WeakPolarHBondContact O-CB 3.48Å; E66-M69 PolarHBondContact O-N 2.96Å; E66-M78 HydrophobicContact CB-CE 3.56Å; E66-M78 HydrophobicContact CB-SD 4.27Å; E66-M78 HydrophobicContact CG-CE 3.57Å; E66-M78 HydrophobicContact CG-SD 3.96Å; E66-S80 WeakPolarHBondContact OE1-CB 3.45Å; E66-S80 PolarHBondContact OE1-OG 3.01Å; E66-I90 HydrophobicContact CG-CD1 4.42Å
67Q94Very high94Very high129 Ų12953.3 Ų53.360%0.60329%0.291SS*.Hα-helixtrans-60.6-26.7179.4-73.4174.414.200112.7Q63 I65 N70Q63-Q67 WeakPolarHBondContact O-CB 3.5Å; Q63-Q67 WeakPolarHBondContact O-CG 3.49Å; Q63-Q67 PolarHBondContact O-N 3.03Å; I65-Q67 PolarHBondContact O-N 2.94Å; Q67-N70 PolarHBondContact O-ND2 3.02Å
68N93.7Very high94Very high54 Ų5456.4 Ų56.429%0.28931%0.306SS..Hα-helixtrans-87.5-13.7176.5-77.7-80.1000113.5V64 I65 E66 N70 K110 A114V64-N68 PolarHBondContact O-ND2 2.83Å; I65-N68 PolarHBondContact O-N 3.27Å; E66-N68 PolarHBondContact O-N 2.82Å; E66-N68 VanDerWaalsContact O-N 3.14Å; N68-N70 PolarHBondContact O-N 3.17Å; N68-K110 WeakPolarHBondContact O-CD 3.37Å; N68-A114 HydrophobicContact CB-CB 3.87Å
69M94Very high93.9Very high1 Ų155.1 Ų55.11%0.00531%0.306CS..  trans-79.513.2178.3-66.6-56.8120.400114.2I65 E66 L72 M78 L92 V107 K110 L111I65-M69 HydrophobicContact CG2-CE 3.95Å; I65-M69 HydrophobicContact CG2-CG 4.27Å; I65-M69 WeakPolarHBondContact O-CG 3.46Å; I65-M69 PolarHBondContact O-N 3.18Å; E66-M69 WeakPolarHBondContact O-CB 3.48Å; E66-M69 PolarHBondContact O-N 2.96Å; M69-L72 HydrophobicContact CB-CD1 4.16Å; M69-L72 WeakPolarHBondContact O-CD1 3.48Å; M69-L72 WeakPolarHBondContact O-CG 3.3Å; M69-L72 HydrophobicContact SD-CD1 4.17Å; M69-M78 HydrophobicContact CB-SD 3.86Å; M69-M78 HydrophobicContact CG-SD 4.21Å; M69-L92 HydrophobicContact CB-CD2 3.84Å; M69-L92 HydrophobicContact CG-CD2 3.86Å; M69-L92 HydrophobicContact SD-CD2 4.1Å; M69-V107 HydrophobicContact SD-CG1 4.03Å; M69-K110 HydrophobicContact CE-CB 3.56Å; M69-K110 HydrophobicContact SD-CB 4.01Å; M69-L111 HydrophobicContact CE-CB 4.07Å
70N89.6Confident93.8Very high107 Ų10753.9 Ų53.957%0.57230%0.302SS*.THydrogen-bonded Turntrans-76.1142.7177.8-71.6-49.6000112.9Q67 N68 K110Q67-N70 PolarHBondContact O-ND2 3.02Å; N68-N70 PolarHBondContact O-N 3.17Å; N70-K110 PolarHBondContact O-NZ 3.14Å
71G90.2Very high93.6Very high70 Ų7056.1 Ų56.172%0.72231%0.314SS*.THydrogen-bonded Turntrans74.732175.400000114.2
72L94.6Very high93.4Very high14 Ų1457.5 Ų57.57%0.07332%0.324CS..  trans-79.2136.2168.2-64.8171.1000109.3M69 G74 L75 L92 F94 Q106 V107 K110M69-L72 HydrophobicContact CB-CD1 4.16Å; M69-L72 WeakPolarHBondContact O-CD1 3.48Å; M69-L72 WeakPolarHBondContact O-CG 3.3Å; M69-L72 HydrophobicContact SD-CD1 4.17Å; L72-G74 PolarHBondContact O-N 3.37Å; L72-L75 HydrophobicContact CB-CB 4.08Å; L72-L75 HydrophobicContact CB-CD2 4.49Å; L72-L75 HydrophobicContact CD1-CD2 4.46Å; L72-L92 HydrophobicContact CD1-CD2 3.4Å; L72-F94 HydrophobicContact CB-CE1 4.08Å; L72-F94 HydrophobicContact CB-CZ 4.46Å; L72-F94 HydrophobicContact CD1-CZ 4.19Å; L72-Q106 HydrophobicContact CD2-CB 3.59Å; L72-V107 HydrophobicContact CD1-CG2 3.89Å; L72-V107 HydrophobicContact CD2-CG2 4.45Å; L72-K110 HydrophobicContact CD2-CG 3.8Å
73D94Very high92.9Very high111 Ų11158.7 Ų58.759%0.59433%0.331SS*.THydrogen-bonded Turntrans-73.3131.6-177.4-63.8-44.3000110.1L75 F94 Q106D73-L75 PolarHBondContact O-N 2.92Å; D73-F94 WeakPolarHBondContact O-CD1 3.43Å; D73-Q106 PolarHBondContact OD2-NE2 3.06Å
74G92.2Very high92.2Very high26 Ų2659 Ų5927%0.26835%0.345SS..THydrogen-bonded Turntrans7113.4179.200000114.4L72 M76 F94 E95L72-G74 PolarHBondContact O-N 3.37Å; G74-M76 PolarHBondContact O-N 3.17Å; G74-F94 CarbonylContact O-C 3.55Å; G74-F94 WeakPolarHBondContact O-CA 3.46Å; G74-F94 WeakPolarHBondContact O-CB 3.35Å; G74-E95 PolarHBondContact O-N 2.91Å
75L94.2Very high91.5Very high50 Ų5059.9 Ų59.926%0.26236%0.355SS..EExtended strand (participates in β ladder)trans-66.4121.2173.6-176.871.2000110.2L72 D73 L92 F94L72-L75 HydrophobicContact CB-CB 4.08Å; L72-L75 HydrophobicContact CB-CD2 4.49Å; L72-L75 HydrophobicContact CD1-CD2 4.46Å; D73-L75 PolarHBondContact O-N 2.92Å; L75-L92 HydrophobicContact CD1-CB 3.88Å; L75-L92 HydrophobicContact CD1-CD2 4.01Å; L75-L92 HydrophobicContact CD1-CG 4.46Å; L75-F94 HydrophobicContact CB-CD1 4.48Å; L75-F94 HydrophobicContact CB-CE1 4.36Å; L75-F94 HydrophobicContact CD1-CE1 4.39Å; L75-F94 HydrophobicContact CD1-CE2 4.44Å; L75-F94 HydrophobicContact CD1-CZ 4.26Å
76M91.4Very high91.1Very high98 Ų9859.8 Ų59.848%0.48335%0.354SS..EExtended strand (participates in β ladder)trans-85.3-52.3174.7-70.2178.661.700111.4P40 G74 T93 E95P40-M76 HydrophobicContact CB-SD 4.23Å; P40-M76 HydrophobicContact CG-SD 4.4Å; G74-M76 PolarHBondContact O-N 3.17Å; M76-T93 WeakPolarHBondContact CB-O 3.41Å; M76-T93 PolarHBondContact N-O 3.43Å; M76-E95 HydrophobicContact CG-CB 4.2Å; M76-E95 HydrophobicContact CG-CG 3.45Å; M76-E95 VanDerWaalsContact CG-CG 3.45Å; M76-E95 HydrophobicContact SD-CB 4.48Å; M76-E95 HydrophobicContact SD-CG 4.19Å
77Y93Very high90.8Very high128 Ų12859.3 Ų59.350%0.50235%0.353SS..EExtended strand (participates in β ladder)trans-158.2164.5179.862.4-94.8000110.3T93Y77-T93 HydrophobicContact CD1-CG2 4.36Å; Y77-T93 HydrophobicContact CE1-CG2 3.64Å; Y77-T93 HydrophobicContact CE2-CG2 4.31Å; Y77-T93 WeakPolarHBondContact CE2-OG1 3.5Å; Y77-T93 VanDerWaalsContact CZ-CB 3.48Å; Y77-T93 VanDerWaalsContact CZ-OG1 3.28Å; Y77-T93 PolarHBondContact N-O 2.8Å; Y77-T93 PolarHBondContact O-N 3.34Å; Y77-T93 PolarHBondContact OH-OG1 2.97Å
78M93.9Very high90.8Very high64 Ų6453.3 Ų53.332%0.31533%0.325SS..EExtended strand (participates in β ladder)trans-130.3136.4175.4177.5173.766.900107.7E66 M69 I90 T91 L92E66-M78 HydrophobicContact CB-CE 3.56Å; E66-M78 HydrophobicContact CB-SD 4.27Å; E66-M78 HydrophobicContact CG-CE 3.57Å; E66-M78 HydrophobicContact CG-SD 3.96Å; M69-M78 HydrophobicContact CB-SD 3.86Å; M69-M78 HydrophobicContact CG-SD 4.21Å; M78-I90 HydrophobicContact CG-CG2 3.81Å; M78-I90 HydrophobicContact SD-CG2 3.84Å; M78-T91 WeakPolarHBondContact CA-O 3.04Å; M78-L92 HydrophobicContact CG-CG 4.24Å; M78-L92 HydrophobicContact SD-CD2 4.13Å; M78-L92 HydrophobicContact SD-CG 4.37Å
79S92.4Very high90.7Very high49 Ų4952.3 Ų52.334%0.34332%0.323SS..EExtended strand (participates in β ladder)trans-126.8152.4169.660.30000109.3I90 T91S79-I90 CarbonylContact O-C 3.44Å; S79-I90 WeakPolarHBondContact O-CA 3.45Å; S79-T91 PolarHBondContact N-O 3.33Å; S79-T91 PolarHBondContact O-N 2.91Å
80S92.9Very high90.7Very high44 Ų4452.3 Ų52.331%0.30832%0.323SS..EExtended strand (participates in β ladder)trans-141.7156.5178.466.10000111.9T62 E66 S89T62-S80 VanDerWaalsContact CG2-CB 3.48Å; T62-S80 WeakPolarHBondContact CG2-OG 3.48Å; E66-S80 WeakPolarHBondContact OE1-CB 3.45Å; E66-S80 PolarHBondContact OE1-OG 3.01Å; S80-S89 CarbonylContact C-O 3.54Å; S80-S89 VanDerWaalsContact CA-O 3.26Å; S80-S89 WeakPolarHBondContact CA-O 3.47Å
81T90.8Very high90.8Very high91 Ų9149 Ų4956%0.55831%0.307SS*.EExtended strand (participates in β ladder)trans-137.5133.1177.250.40000108.6A88 S89T81-A88 WeakPolarHBondContact O-CA 3.45Å; T81-S89 PolarHBondContact N-O 2.93Å; T81-S89 PolarHBondContact O-N 3.41Å; T81-S89 PolarHBondContact OG1-O 2.9Å
82S92Very high91Very high31 Ų3145.7 Ų45.722%0.21727%0.272CS..EExtended strand (participates in β ladder)trans-122.4123174.1-52.90000107.3T62 N87T62-S82 PolarHBondContact OG1-OG 3.26Å; S82-N87 WeakPolarHBondContact CA-O 3.28Å
83D85.5Confident90.8Very high25 Ų2545.1 Ų45.113%0.13427%0.27CS..  trans-111.5162.6-176.475.428.6000113.3A85 G86 N87D83-A85 PolarHBondContact O-N 3.16Å; D83-A85 WeakPolarHBondContact OD1-CA 3.33Å; D83-A85 WeakPolarHBondContact OD1-CB 3.33Å; D83-A85 PolarHBondContact OD1-N 2.99Å; D83-G86 PolarHBondContact O-N 3.41Å; D83-G86 VanDerWaalsContact O-N 3.16Å; D83-G86 PolarHBondContact OD1-N 2.9Å; D83-G86 VanDerWaalsContact OD1-N 3.16Å; D83-N87 PolarHBondContact N-O 3.27Å; D83-N87 WeakPolarHBondContact OD1-CB 3.47Å; D83-N87 PolarHBondContact OD1-N 3.24Å; D83-N87 PolarHBondContact OD1-ND2 3.07Å; D83-N87 WeakPolarHBondContact OD2-CB 3.48Å; D83-N87 PolarHBondContact OD2-ND2 2.98Å
84A81.8Confident90.8Very high73 Ų7339.9 Ų39.960%0.60324%0.241SC*.THydrogen-bonded Turntrans-74.8-3.5-18000000113.6G86A84-G86 VanDerWaalsContact C-N 3.25Å
85A80.1Confident90.6Very high46 Ų4644 Ų4438%0.3825%0.254SS..THydrogen-bonded Turntrans-85.6-3170.600000111.8D83D83-A85 PolarHBondContact O-N 3.16Å; D83-A85 WeakPolarHBondContact OD1-CA 3.33Å; D83-A85 WeakPolarHBondContact OD1-CB 3.33Å; D83-A85 PolarHBondContact OD1-N 2.99Å
86G87.5Confident90.1Very high0 Ų044 Ų440%026%0.256CS..SBendtrans94.46.6-179.600000113.1T48 Y49 D83 A84T48-G86 CarbonylContact C-O 3.5Å; T48-G86 WeakPolarHBondContact CA-O 3.4Å; Y49-G86 PolarHBondContact N-O 3.14Å; Y49-G86 WeakPolarHBondContact O-CA 3.2Å; D83-G86 PolarHBondContact O-N 3.41Å; D83-G86 VanDerWaalsContact O-N 3.16Å; D83-G86 PolarHBondContact OD1-N 2.9Å; D83-G86 VanDerWaalsContact OD1-N 3.16Å; A84-G86 VanDerWaalsContact C-N 3.25Å
87N89.8Confident89.7Confident34 Ų3443 Ų4318%0.18227%0.271CS..EExtended strand (participates in β ladder)trans-89.7138.9-178.5-50.4-58.2000111.3A47 T48 S82 D83 Q618A47-N87 WeakPolarHBondContact O-CA 3.38Å; T48-N87 PolarHBondContact OG1-OD1 2.9Å; T48-N87 VanDerWaalsContact OG1-OD1 3.09Å; S82-N87 WeakPolarHBondContact CA-O 3.28Å; D83-N87 PolarHBondContact N-O 3.27Å; D83-N87 WeakPolarHBondContact OD1-CB 3.47Å; D83-N87 PolarHBondContact OD1-N 3.24Å; D83-N87 PolarHBondContact OD1-ND2 3.07Å; D83-N87 WeakPolarHBondContact OD2-CB 3.48Å; D83-N87 PolarHBondContact OD2-ND2 2.98Å; N87-Q618 PolarHBondContact ND2-OE1 3.29Å; N87-Q618 VanDerWaalsContact ND2-OE1 3.12Å
88A92.5Very high89.4Confident3 Ų338.6 Ų38.63%0.02526%0.257CS..EExtended strand (participates in β ladder)trans-113.7131.2165.900000108.9S46 A47 V57 V61 T62 T81S46-A88 WeakPolarHBondContact CA-O 3.27Å; A47-A88 HydrophobicContact CB-CB 4.44Å; A47-A88 PolarHBondContact N-O 3.02Å; A47-A88 PolarHBondContact O-N 2.96Å; V57-A88 HydrophobicContact CG1-CB 3.68Å; V61-A88 HydrophobicContact CG1-CB 4.15Å; T62-A88 WeakPolarHBondContact OG1-CB 3.46Å; T81-A88 WeakPolarHBondContact O-CA 3.45Å
89S92.2Very high89.3Confident33 Ų3338 Ų3823%0.23126%0.259CS..EExtended strand (participates in β ladder)trans-130.4122.8171.2-1680000109.6T44 V45 S80 T81T44-S89 WeakPolarHBondContact CG2-OG 3.13Å; V45-S89 WeakPolarHBondContact O-CA 3.37Å; S80-S89 CarbonylContact C-O 3.54Å; S80-S89 VanDerWaalsContact CA-O 3.26Å; S80-S89 WeakPolarHBondContact CA-O 3.47Å; T81-S89 PolarHBondContact N-O 2.93Å; T81-S89 PolarHBondContact O-N 3.41Å; T81-S89 PolarHBondContact OG1-O 2.9Å
90I93.9Very high89.1Confident1 Ų137.2 Ų37.21%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-117.1119.2179.5-58.3159.2000107.4T44 V45 T62 I65 E66 M78 S79 L92T44-I90 CarbonylContact C-O 3.53Å; T44-I90 WeakPolarHBondContact CA-O 3.44Å; V45-I90 HydrophobicContact CB-CB 4.34Å; V45-I90 PolarHBondContact N-O 3.44Å; V45-I90 PolarHBondContact O-N 2.81Å; T62-I90 HydrophobicContact CG2-CD1 4.27Å; T62-I90 HydrophobicContact CG2-CG1 4.04Å; I65-I90 HydrophobicContact CB-CD1 3.48Å; I65-I90 VanDerWaalsContact CB-CD1 3.48Å; I65-I90 HydrophobicContact CD1-CD1 4.02Å; I65-I90 HydrophobicContact CG1-CD1 4.34Å; I65-I90 HydrophobicContact CG2-CD1 3.39Å; E66-I90 HydrophobicContact CG-CD1 4.42Å; M78-I90 HydrophobicContact CG-CG2 3.81Å; M78-I90 HydrophobicContact SD-CG2 3.84Å; S79-I90 CarbonylContact O-C 3.44Å; S79-I90 WeakPolarHBondContact O-CA 3.45Å; I90-L92 HydrophobicContact CG2-CD1 4.04Å; I90-L92 HydrophobicContact CG2-CG 4.42Å
91T92.1Very high89Confident38 Ų3839.6 Ų39.623%0.23326%0.262CS..EExtended strand (participates in β ladder)trans-105.3119.9177.7-59.20000109.5T42 M78 S79T42-T91 HydrophobicContact CG2-CG2 4.37Å; M78-T91 WeakPolarHBondContact CA-O 3.04Å; S79-T91 PolarHBondContact N-O 3.33Å; S79-T91 PolarHBondContact O-N 2.91Å
92L94.2Very high89.2Confident0 Ų039.9 Ų39.90%026%0.259CS..EExtended strand (participates in β ladder)trans-105.4118175.4-60.4103.1000109T42 I43 V45 M69 L72 L75 M78 I90 F94 V107T42-L92 WeakPolarHBondContact CA-O 3.45Å; I43-L92 PolarHBondContact N-O 3.19Å; I43-L92 PolarHBondContact O-N 3.35Å; V45-L92 HydrophobicContact CG2-CD1 4.01Å; M69-L92 HydrophobicContact CB-CD2 3.84Å; M69-L92 HydrophobicContact CG-CD2 3.86Å; M69-L92 HydrophobicContact SD-CD2 4.1Å; L72-L92 HydrophobicContact CD1-CD2 3.4Å; L75-L92 HydrophobicContact CD1-CB 3.88Å; L75-L92 HydrophobicContact CD1-CD2 4.01Å; L75-L92 HydrophobicContact CD1-CG 4.46Å; M78-L92 HydrophobicContact CG-CG 4.24Å; M78-L92 HydrophobicContact SD-CD2 4.13Å; M78-L92 HydrophobicContact SD-CG 4.37Å; I90-L92 HydrophobicContact CG2-CD1 4.04Å; I90-L92 HydrophobicContact CG2-CG 4.42Å; L92-F94 HydrophobicContact CB-CE2 3.73Å; L92-F94 HydrophobicContact CB-CZ 4.29Å; L92-F94 WeakPolarHBondContact O-CD2 3.21Å; L92-V107 HydrophobicContact CD1-CG1 4.15Å; L92-V107 HydrophobicContact CD1-CG2 4.2Å; L92-V107 HydrophobicContact CD2-CG2 4.17Å
93T91.7Very high89.2Confident3 Ų338.4 Ų38.42%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-103.6127.5-179.6-56.30000109.8P40 T42 M76 Y77P40-T93 HydrophobicContact CB-CG2 3.73Å; P40-T93 HydrophobicContact CG-CG2 4Å; T42-T93 HydrophobicContact CG2-CG2 4.15Å; M76-T93 WeakPolarHBondContact CB-O 3.41Å; M76-T93 PolarHBondContact N-O 3.43Å; Y77-T93 HydrophobicContact CD1-CG2 4.36Å; Y77-T93 HydrophobicContact CE1-CG2 3.64Å; Y77-T93 HydrophobicContact CE2-CG2 4.31Å; Y77-T93 WeakPolarHBondContact CE2-OG1 3.5Å; Y77-T93 VanDerWaalsContact CZ-CB 3.48Å; Y77-T93 VanDerWaalsContact CZ-OG1 3.28Å; Y77-T93 PolarHBondContact N-O 2.8Å; Y77-T93 PolarHBondContact O-N 3.34Å; Y77-T93 PolarHBondContact OH-OG1 2.97Å
94F92.3Very high89.6Confident0 Ų039.2 Ų39.20%025%0.252CS..EExtended strand (participates in β ladder)trans-109160.3-175.9-67.1-99.3000111.8P40 P41 I43 L72 D73 G74 L75 L92 T98 A103 V107P40-F94 WeakPolarHBondContact CB-O 3.49Å; P41-F94 WeakPolarHBondContact CD-O 3.44Å; P41-F94 HydrophobicContact CG-CB 4.07Å; P41-F94 PolarHBondContact O-N 3.41Å; I43-F94 HydrophobicContact CB-CE2 4.22Å; I43-F94 HydrophobicContact CG1-CD2 4.32Å; I43-F94 HydrophobicContact CG1-CE2 3.74Å; L72-F94 HydrophobicContact CB-CE1 4.08Å; L72-F94 HydrophobicContact CB-CZ 4.46Å; L72-F94 HydrophobicContact CD1-CZ 4.19Å; D73-F94 WeakPolarHBondContact O-CD1 3.43Å; G74-F94 CarbonylContact O-C 3.55Å; G74-F94 WeakPolarHBondContact O-CA 3.46Å; G74-F94 WeakPolarHBondContact O-CB 3.35Å; L75-F94 HydrophobicContact CB-CD1 4.48Å; L75-F94 HydrophobicContact CB-CE1 4.36Å; L75-F94 HydrophobicContact CD1-CE1 4.39Å; L75-F94 HydrophobicContact CD1-CE2 4.44Å; L75-F94 HydrophobicContact CD1-CZ 4.26Å; L92-F94 HydrophobicContact CB-CE2 3.73Å; L92-F94 HydrophobicContact CB-CZ 4.29Å; L92-F94 WeakPolarHBondContact O-CD2 3.21Å; F94-T98 HydrophobicContact CB-CG2 4.1Å; F94-T98 HydrophobicContact CD1-CG2 4.09Å; F94-T98 HydrophobicContact CG-CG2 4.36Å; F94-A103 HydrophobicContact CD1-CB 4.04Å; F94-A103 HydrophobicContact CD2-CB 3.94Å; F94-A103 HydrophobicContact CE1-CB 3.88Å; F94-A103 HydrophobicContact CE2-CB 3.81Å; F94-A103 HydrophobicContact CG-CB 4.06Å; F94-A103 HydrophobicContact CZ-CB 3.78Å; F94-V107 HydrophobicContact CE2-CG2 4.31Å; F94-V107 HydrophobicContact CZ-CG2 3.89Å
95E89.5Confident90.3Very high114 Ų11439 Ų3953%0.53324%0.244SC..  trans-61.3143178.3-70.5-177177.700111.5G74 M76 G97 T98G74-E95 PolarHBondContact O-N 2.91Å; M76-E95 HydrophobicContact CG-CB 4.2Å; M76-E95 HydrophobicContact CG-CG 3.45Å; M76-E95 VanDerWaalsContact CG-CG 3.45Å; M76-E95 HydrophobicContact SD-CB 4.48Å; M76-E95 HydrophobicContact SD-CG 4.19Å; E95-G97 PolarHBondContact O-N 3.26Å; E95-T98 VanDerWaalsContact O-CB 3.27Å; E95-T98 WeakPolarHBondContact O-CB 3.4Å; E95-T98 PolarHBondContact O-N 3.44Å; E95-T98 PolarHBondContact O-OG1 3.36Å
96T82.9Confident91Very high49 Ų4938.8 Ų38.830%0.30123%0.234SC..THydrogen-bonded Turntrans-55.8123.1174.2-49.90000110.3E465T96-E465 HydrophobicContact CG2-CG 3.84Å
97G82.1Confident91.4Very high78 Ų7838.8 Ų38.880%0.80423%0.234SC*.THydrogen-bonded Turntrans104.1-12.5-175.200000114.5E95E95-G97 PolarHBondContact O-N 3.26Å
98T88.5Confident91.6Very high34 Ų3442 Ų4221%0.20925%0.248CC..  trans-64.5134.8170.5-54.40000110P41 F94 E95 P100 A103P41-T98 WeakPolarHBondContact CG-O 3.38Å; F94-T98 HydrophobicContact CB-CG2 4.1Å; F94-T98 HydrophobicContact CD1-CG2 4.09Å; F94-T98 HydrophobicContact CG-CG2 4.36Å; E95-T98 VanDerWaalsContact O-CB 3.27Å; E95-T98 WeakPolarHBondContact O-CB 3.4Å; E95-T98 PolarHBondContact O-N 3.44Å; E95-T98 PolarHBondContact O-OG1 3.36Å; T98-P100 WeakPolarHBondContact O-CD 3.43Å; T98-A103 HydrophobicContact CG2-CB 4.3Å
99S90.5Very high91.8Very high52 Ų5246.6 Ų46.636%0.36427%0.272SS..  trans-67.9121.9175.4171.70000110.1D101 I102 A103S99-D101 PolarHBondContact O-N 2.74Å; S99-D101 PolarHBondContact OG-N 3.06Å; S99-I102 PolarHBondContact O-N 3.18Å; S99-I102 PolarHBondContact OG-N 3.02Å; S99-A103 WeakPolarHBondContact O-CB 3.16Å; S99-A103 PolarHBondContact O-N 2.81Å
100P88.4Confident91.9Very high32 Ų3248.2 Ų48.221%0.20828%0.276CS..Hα-helixtrans-60.1-32.7176.8-2131.4000112.4P41 T98 Q104 K131 T295P41-P100 HydrophobicContact CB-CB 4.44Å; P41-P100 HydrophobicContact CB-CG 4.03Å; T98-P100 WeakPolarHBondContact O-CD 3.43Å; P100-Q104 WeakPolarHBondContact O-CB 3.35Å; P100-Q104 PolarHBondContact O-N 3.46Å; P100-K131 HydrophobicContact CB-CD 4.27Å; P100-K131 VanDerWaalsContact O-CE 3.22Å; P100-K131 WeakPolarHBondContact O-CE 3.4Å; P100-T295 HydrophobicContact CB-CG2 3.99Å; P100-T295 HydrophobicContact CG-CG2 3.59Å
101D91.5Very high91.9Very high95 Ų9548.5 Ų48.551%0.50828%0.277SS..Hα-helixtrans-65-46.5177.7-61.3-34.2000111.8S99 Q104 V105 K131S99-D101 PolarHBondContact O-N 2.74Å; S99-D101 PolarHBondContact OG-N 3.06Å; D101-Q104 PolarHBondContact O-N 2.9Å; D101-V105 VanDerWaalsContact O-CG2 3.31Å; D101-V105 WeakPolarHBondContact O-CG2 3.47Å; D101-V105 PolarHBondContact O-N 3.47Å; D101-V105 VanDerWaalsContact O-N 3.07Å; D101-K131 VanDerWaalsContact OD1-CE 3.27Å; D101-K131 WeakPolarHBondContact OD1-CE 3.44Å; D101-K131 IonicContact OD1-NZ 3.35Å; D101-K131 PolarHBondContact OD1-NZ 3.5Å
102I93.5Very high92.1Very high96 Ų9652.6 Ų52.649%0.49229%0.293SS..Hα-helixtrans-68.2-44177.6-59.1-57.7000110.4S99 Q104 V105 Q106S99-I102 PolarHBondContact O-N 3.18Å; S99-I102 PolarHBondContact OG-N 3.02Å; I102-Q104 VanDerWaalsContact C-N 3.33Å; I102-Q104 PolarHBondContact O-N 3.22Å; I102-V105 PolarHBondContact O-N 3.15Å; I102-Q106 HydrophobicContact CG2-CG 4.23Å; I102-Q106 WeakPolarHBondContact O-CG 3.4Å; I102-Q106 PolarHBondContact O-N 3.06Å
103A93.7Very high92Very high1 Ų158.4 Ų58.41%0.00832%0.324CS..Hα-helixtrans-56-46.9176.200000111.6I43 F94 T98 S99 V105 Q106 V107I43-A103 HydrophobicContact CD1-CB 4.25Å; I43-A103 HydrophobicContact CG1-CB 3.93Å; F94-A103 HydrophobicContact CD1-CB 4.04Å; F94-A103 HydrophobicContact CD2-CB 3.94Å; F94-A103 HydrophobicContact CE1-CB 3.88Å; F94-A103 HydrophobicContact CE2-CB 3.81Å; F94-A103 HydrophobicContact CG-CB 4.06Å; F94-A103 HydrophobicContact CZ-CB 3.78Å; T98-A103 HydrophobicContact CG2-CB 4.3Å; S99-A103 WeakPolarHBondContact O-CB 3.16Å; S99-A103 PolarHBondContact O-N 2.81Å; A103-V105 PolarHBondContact O-N 2.94Å; A103-Q106 PolarHBondContact O-N 3.23Å; A103-V107 VanDerWaalsContact O-CG2 3.31Å; A103-V107 WeakPolarHBondContact O-CG2 3.37Å; A103-V107 PolarHBondContact O-N 3.48Å
104Q93.8Very high92.1Very high42 Ų4258.2 Ų58.220%0.19632%0.323CS..Hα-helixtrans-60.4-46.3176.4-170.5-167.831.200111.8I43 P100 D101 I102 Q106 V107 Q108 V129 K131I43-Q104 HydrophobicContact CD1-CB 3.84Å; P100-Q104 WeakPolarHBondContact O-CB 3.35Å; P100-Q104 PolarHBondContact O-N 3.46Å; D101-Q104 PolarHBondContact O-N 2.9Å; I102-Q104 VanDerWaalsContact C-N 3.33Å; I102-Q104 PolarHBondContact O-N 3.22Å; Q104-Q106 VanDerWaalsContact C-N 3.32Å; Q104-Q106 PolarHBondContact O-N 3.34Å; Q104-V107 PolarHBondContact O-N 3.46Å; Q104-Q108 VanDerWaalsContact O-CB 3.29Å; Q104-Q108 WeakPolarHBondContact O-CB 3.35Å; Q104-Q108 PolarHBondContact O-N 3.16Å; Q104-V129 HydrophobicContact CG-CG1 4Å; Q104-V129 PolarHBondContact NE2-O 3.24Å; Q104-K131 HydrophobicContact CB-CD 4.46Å; Q104-K131 VanDerWaalsContact CB-CE 3.43Å; Q104-K131 HydrophobicContact CB-CG 4.13Å; Q104-K131 VanDerWaalsContact CD-CE 3.47Å; Q104-K131 HydrophobicContact CG-CG 4.33Å
105V95Very high92.2Very high69 Ų6959.8 Ų59.842%0.41833%0.33SS..Hα-helixtrans-62.6-40.9179.4169.40000110.9D101 I102 A103 Q108 N109D101-V105 VanDerWaalsContact O-CG2 3.31Å; D101-V105 WeakPolarHBondContact O-CG2 3.47Å; D101-V105 PolarHBondContact O-N 3.47Å; D101-V105 VanDerWaalsContact O-N 3.07Å; I102-V105 PolarHBondContact O-N 3.15Å; A103-V105 PolarHBondContact O-N 2.94Å; V105-Q108 PolarHBondContact O-N 2.92Å; V105-N109 VanDerWaalsContact O-CB 3.32Å; V105-N109 WeakPolarHBondContact O-CB 3.43Å; V105-N109 PolarHBondContact O-N 2.52Å; V105-N109 PolarHBondContact O-ND2 2.79Å
106Q95.4Very high92.4Very high40 Ų4059.1 Ų59.119%0.18734%0.336CS..Hα-helixtrans-63.7-47.3176.4-69.6-172.6-3.900111.7L72 D73 I102 A103 Q104 Q108 N109 K110L72-Q106 HydrophobicContact CD2-CB 3.59Å; D73-Q106 PolarHBondContact OD2-NE2 3.06Å; I102-Q106 HydrophobicContact CG2-CG 4.23Å; I102-Q106 WeakPolarHBondContact O-CG 3.4Å; I102-Q106 PolarHBondContact O-N 3.06Å; A103-Q106 PolarHBondContact O-N 3.23Å; Q104-Q106 VanDerWaalsContact C-N 3.32Å; Q104-Q106 PolarHBondContact O-N 3.34Å; Q106-Q108 VanDerWaalsContact C-N 3.35Å; Q106-Q108 PolarHBondContact O-N 2.93Å; Q106-N109 PolarHBondContact O-N 3.38Å; Q106-K110 WeakPolarHBondContact O-CG 3.32Å; Q106-K110 PolarHBondContact O-N 2.78Å
107V95.9Very high93Very high0 Ų060.7 Ų60.70%035%0.349CS..Hα-helixtrans-59.3-46.5176170.70000110.6I43 V45 M69 L72 L92 F94 A103 Q104 N109 K110 L111 V129I43-V107 HydrophobicContact CB-CG2 4.2Å; I43-V107 HydrophobicContact CG1-CG2 4.4Å; I43-V107 HydrophobicContact CG2-CB 4.08Å; I43-V107 HydrophobicContact CG2-CG1 3.95Å; I43-V107 HydrophobicContact CG2-CG2 4.09Å; V45-V107 HydrophobicContact CG2-CG1 3.51Å; M69-V107 HydrophobicContact SD-CG1 4.03Å; L72-V107 HydrophobicContact CD1-CG2 3.89Å; L72-V107 HydrophobicContact CD2-CG2 4.45Å; L92-V107 HydrophobicContact CD1-CG1 4.15Å; L92-V107 HydrophobicContact CD1-CG2 4.2Å; L92-V107 HydrophobicContact CD2-CG2 4.17Å; F94-V107 HydrophobicContact CE2-CG2 4.31Å; F94-V107 HydrophobicContact CZ-CG2 3.89Å; A103-V107 VanDerWaalsContact O-CG2 3.31Å; A103-V107 WeakPolarHBondContact O-CG2 3.37Å; A103-V107 PolarHBondContact O-N 3.48Å; Q104-V107 PolarHBondContact O-N 3.46Å; V107-N109 PolarHBondContact O-N 2.92Å; V107-K110 PolarHBondContact O-N 3.27Å; V107-L111 VanDerWaalsContact O-CB 3.3Å; V107-L111 WeakPolarHBondContact O-CB 3.3Å; V107-L111 PolarHBondContact O-N 3.16Å; V107-V129 HydrophobicContact CB-CG1 4.49Å; V107-V129 HydrophobicContact CG1-CG1 3.9Å
108Q95.1Very high93.6Very high101 Ų10157.3 Ų57.347%0.47231%0.313SS..Hα-helixtrans-64.2-40.7179.8-170.3165.92400112.1Q104 V105 Q106 L111 Q112Q104-Q108 VanDerWaalsContact O-CB 3.29Å; Q104-Q108 WeakPolarHBondContact O-CB 3.35Å; Q104-Q108 PolarHBondContact O-N 3.16Å; V105-Q108 PolarHBondContact O-N 2.92Å; Q106-Q108 VanDerWaalsContact C-N 3.35Å; Q106-Q108 PolarHBondContact O-N 2.93Å; Q108-L111 PolarHBondContact O-N 3.16Å; Q108-Q112 WeakPolarHBondContact O-CB 3.45Å; Q108-Q112 PolarHBondContact O-N 3.25Å
109N95.1Very high94Very high100 Ų10057.1 Ų57.154%0.53531%0.312SS..Hα-helixtrans-62.5-42.6175.4-73.5-22.1000111.7V105 Q106 V107V105-N109 VanDerWaalsContact O-CB 3.32Å; V105-N109 WeakPolarHBondContact O-CB 3.43Å; V105-N109 PolarHBondContact O-N 2.52Å; V105-N109 PolarHBondContact O-ND2 2.79Å; Q106-N109 PolarHBondContact O-N 3.38Å; V107-N109 PolarHBondContact O-N 2.92Å
110K94.4Very high94.1Very high68 Ų6861.6 Ų61.630%0.29633%0.327SS..Hα-helixtrans-67.9-39.2175.7-69.7-65.7-174.9144.60112.1N68 M69 N70 L72 Q106 V107 Q112 L113 A114N68-K110 WeakPolarHBondContact O-CD 3.37Å; M69-K110 HydrophobicContact CE-CB 3.56Å; M69-K110 HydrophobicContact SD-CB 4.01Å; N70-K110 PolarHBondContact O-NZ 3.14Å; L72-K110 HydrophobicContact CD2-CG 3.8Å; Q106-K110 WeakPolarHBondContact O-CG 3.32Å; Q106-K110 PolarHBondContact O-N 2.78Å; V107-K110 PolarHBondContact O-N 3.27Å; K110-Q112 VanDerWaalsContact C-N 3.31Å; K110-Q112 PolarHBondContact O-N 2.81Å; K110-L113 HydrophobicContact CD-CD1 4.49Å; K110-L113 WeakPolarHBondContact O-CB 3.48Å; K110-L113 PolarHBondContact O-N 2.87Å; K110-A114 PolarHBondContact O-N 2.73Å
111L95.2Very high94.3Very high6 Ų662.1 Ų62.13%0.03133%0.334CS..Hα-helixtrans-63.9-38.9178.5178.565.3000111.1V45 I65 M69 V107 Q108 L113 A114 M115 I127 V129V45-L111 HydrophobicContact CG1-CD1 4.26Å; V45-L111 HydrophobicContact CG1-CD2 4.06Å; I65-L111 HydrophobicContact CD1-CD1 4.02Å; I65-L111 HydrophobicContact CG1-CD1 3.96Å; I65-L111 HydrophobicContact CG2-CD1 3.95Å; M69-L111 HydrophobicContact CE-CB 4.07Å; V107-L111 VanDerWaalsContact O-CB 3.3Å; V107-L111 WeakPolarHBondContact O-CB 3.3Å; V107-L111 PolarHBondContact O-N 3.16Å; Q108-L111 PolarHBondContact O-N 3.16Å; L111-L113 PolarHBondContact O-N 3.5Å; L111-A114 WeakPolarHBondContact O-CB 3.22Å; L111-A114 PolarHBondContact O-N 2.93Å; L111-M115 HydrophobicContact CD2-CE 4.47Å; L111-M115 HydrophobicContact CG-CE 4.14Å; L111-M115 PolarHBondContact O-N 2.84Å; L111-I127 HydrophobicContact CD1-CD1 4.17Å; L111-I127 HydrophobicContact CD1-CG2 4.35Å; L111-I127 HydrophobicContact CD2-CB 4.21Å; L111-I127 HydrophobicContact CD2-CG2 3.68Å; L111-V129 HydrophobicContact CD2-CG2 3.44Å; L111-V129 VanDerWaalsContact CD2-CG2 3.44Å
112Q94.5Very high94.4Very high124 Ų12457.6 Ų57.658%0.57931%0.31SS*.Hα-helixtrans-63.2-28177.9-168.558.64600112.8Q108 K110Q108-Q112 WeakPolarHBondContact O-CB 3.45Å; Q108-Q112 PolarHBondContact O-N 3.25Å; K110-Q112 VanDerWaalsContact C-N 3.31Å; K110-Q112 PolarHBondContact O-N 2.81Å
113L93.1Very high94.4Very high122 Ų12256.7 Ų56.764%0.63930%0.304SS*.Hα-helixtrans-74-31.3173.2-61174.2000112.2K110 L111 P116K110-L113 HydrophobicContact CD-CD1 4.49Å; K110-L113 WeakPolarHBondContact O-CB 3.48Å; K110-L113 PolarHBondContact O-N 2.87Å; L111-L113 PolarHBondContact O-N 3.5Å; L113-P116 WeakPolarHBondContact O-CD 3.48Å
114A93.9Very high94.3Very high0 Ų064.2 Ų64.20%034%0.338CS..Hα-helixtrans-78.8-27.5177.500000112.8N68 K110 L111 P116 S117N68-A114 HydrophobicContact CB-CB 3.87Å; K110-A114 PolarHBondContact O-N 2.73Å; L111-A114 WeakPolarHBondContact O-CB 3.22Å; L111-A114 PolarHBondContact O-N 2.93Å; A114-P116 VanDerWaalsContact C-CD 3.4Å; A114-P116 VanDerWaalsContact O-N 3.14Å; A114-S117 WeakPolarHBondContact O-CB 3.3Å; A114-S117 PolarHBondContact O-N 2.82Å
115M93.3Very high94.1Very high32 Ų3267.5 Ų67.516%0.15835%0.354CS..G310 helixtrans-47-45.3-172.6-161.767.862.800114.9L111 S117 L118 Q123 I127L111-M115 HydrophobicContact CD2-CE 4.47Å; L111-M115 HydrophobicContact CG-CE 4.14Å; L111-M115 PolarHBondContact O-N 2.84Å; M115-S117 PolarHBondContact O-N 3.33Å; M115-L118 WeakPolarHBondContact O-CB 3.38Å; M115-L118 PolarHBondContact O-N 3.26Å; M115-L118 VanDerWaalsContact O-N 3.12Å; M115-L118 HydrophobicContact SD-CD1 4.06Å; M115-Q123 HydrophobicContact CG-CG 4.25Å; M115-Q123 PolarHBondContact O-NE2 2.82Å; M115-Q123 VanDerWaalsContact O-NE2 3.11Å; M115-Q123 HydrophobicContact SD-CG 4.07Å; M115-I127 HydrophobicContact CE-CD1 3.73Å; M115-I127 HydrophobicContact CE-CG1 4.31Å; M115-I127 HydrophobicContact SD-CD1 3.67Å; M115-I127 HydrophobicContact SD-CG1 4.38Å
116P95.2Very high93.9Very high100 Ų10066 Ų6665%0.64935%0.353SS*.G310 helixtrans-66-18.6-179.6-20.734.7000114.5L113 A114L113-P116 WeakPolarHBondContact O-CD 3.48Å; A114-P116 VanDerWaalsContact C-CD 3.4Å; A114-P116 VanDerWaalsContact O-N 3.14Å
117S94.8Very high93.8Very high83 Ų8365.6 Ų65.658%0.5835%0.351SS*.G310 helixtrans-88.5-10.6178.6-53.40000112.5A114 M115A114-S117 WeakPolarHBondContact O-CB 3.3Å; A114-S117 PolarHBondContact O-N 2.82Å; M115-S117 PolarHBondContact O-N 3.33Å
118L95.5Very high93.6Very high7 Ų767.9 Ų67.94%0.03737%0.367CS..SBendtrans-83.5150.6180-58178.4000111V61 V64 I65 M115 Q123 I127V61-L118 HydrophobicContact CG1-CD2 4.41Å; V64-L118 HydrophobicContact CB-CD2 3.91Å; V64-L118 HydrophobicContact CG1-CD2 3.76Å; I65-L118 HydrophobicContact CD1-CD1 4.26Å; I65-L118 HydrophobicContact CD1-CD2 4.49Å; I65-L118 HydrophobicContact CG1-CD1 4.2Å; I65-L118 HydrophobicContact CG1-CD2 4.01Å; M115-L118 WeakPolarHBondContact O-CB 3.38Å; M115-L118 PolarHBondContact O-N 3.26Å; M115-L118 VanDerWaalsContact O-N 3.12Å; M115-L118 HydrophobicContact SD-CD1 4.06Å; L118-Q123 HydrophobicContact CB-CG 4.34Å; L118-Q123 PolarHBondContact O-NE2 3.46Å; L118-I127 HydrophobicContact CD1-CD1 3.28Å
119P95.9Very high93.5Very high29 Ų2963.8 Ų63.819%0.18835%0.349CS..  trans-55.6140.6174.7-24.433000112.7Y49 S60 V61 A121 V122 Q123Y49-P119 HydrophobicContact CE1-CB 4.21Å; Y49-P119 HydrophobicContact CE2-CB 4.33Å; Y49-P119 HydrophobicContact CE2-CG 4.01Å; S60-P119 WeakPolarHBondContact O-CD 3.5Å; V61-P119 HydrophobicContact CG2-CG 4.46Å; P119-A121 PolarHBondContact O-N 3.08Å; P119-A121 VanDerWaalsContact O-N 3.14Å; P119-V122 HydrophobicContact CB-CG2 4.24Å; P119-V122 HydrophobicContact CG-CG2 4.39Å; P119-V122 WeakPolarHBondContact O-CB 3.32Å; P119-V122 PolarHBondContact O-N 2.93Å; P119-Q123 PolarHBondContact O-N 3.32Å; P119-Q123 VanDerWaalsContact O-N 3.16Å
120E93.9Very high93.1Very high147 Ų14761.7 Ų61.769%0.68734%0.338SS*.Hα-helixtrans-56.5-34.3-179.4-74.1-170172.500113.1V122 Q123 Q124E120-V122 VanDerWaalsContact C-N 3.3Å; E120-V122 PolarHBondContact O-N 3.14Å; E120-Q123 PolarHBondContact O-N 3.47Å; E120-Q124 WeakPolarHBondContact O-CB 3.42Å; E120-Q124 VanDerWaalsContact O-CG 3.3Å; E120-Q124 WeakPolarHBondContact O-CG 3.46Å; E120-Q124 PolarHBondContact O-N 3.2Å
121A92.1Very high92.8Very high43 Ų4360.9 Ų60.936%0.35533%0.334SS..Hα-helixtrans-62.2-37.4177.800000112.3Y49 P119 Q125Y49-A121 HydrophobicContact CD1-CB 4.04Å; Y49-A121 HydrophobicContact CE1-CB 3.75Å; P119-A121 PolarHBondContact O-N 3.08Å; P119-A121 VanDerWaalsContact O-N 3.14Å; A121-Q125 PolarHBondContact O-N 3.36Å
122V94.1Very high91.7Very high0 Ų060.9 Ų60.90%034%0.335CS..Hα-helixtrans-71.2-42.8175.9179.60000110.2A47 Y49 V61 P119 E120 Q124 Q125 G126 I127A47-V122 HydrophobicContact CB-CG1 3.92Å; Y49-V122 HydrophobicContact CD1-CG2 3.74Å; Y49-V122 HydrophobicContact CD2-CG2 4.28Å; Y49-V122 HydrophobicContact CG-CG2 3.61Å; V61-V122 HydrophobicContact CG1-CG1 4.36Å; V61-V122 HydrophobicContact CG2-CG2 3.76Å; P119-V122 HydrophobicContact CB-CG2 4.24Å; P119-V122 HydrophobicContact CG-CG2 4.39Å; P119-V122 WeakPolarHBondContact O-CB 3.32Å; P119-V122 PolarHBondContact O-N 2.93Å; E120-V122 VanDerWaalsContact C-N 3.3Å; E120-V122 PolarHBondContact O-N 3.14Å; V122-Q124 VanDerWaalsContact C-N 3.28Å; V122-Q124 PolarHBondContact O-N 3.14Å; V122-Q125 PolarHBondContact O-N 3.21Å; V122-G126 PolarHBondContact O-N 2.99Å; V122-G126 VanDerWaalsContact O-N 3.08Å; V122-I127 HydrophobicContact CG1-CD1 4.32Å; V122-I127 HydrophobicContact CG1-CG1 4.3Å
123Q93.4Very high90.6Very high77 Ų7755.7 Ų55.736%0.3631%0.312SS..Hα-helixtrans-60-39.5176.7-62-177.541.200111.9M115 L118 P119 E120 G126M115-Q123 HydrophobicContact CG-CG 4.25Å; M115-Q123 PolarHBondContact O-NE2 2.82Å; M115-Q123 VanDerWaalsContact O-NE2 3.11Å; M115-Q123 HydrophobicContact SD-CG 4.07Å; L118-Q123 HydrophobicContact CB-CG 4.34Å; L118-Q123 PolarHBondContact O-NE2 3.46Å; P119-Q123 PolarHBondContact O-N 3.32Å; P119-Q123 VanDerWaalsContact O-N 3.16Å; E120-Q123 PolarHBondContact O-N 3.47Å; Q123-G126 PolarHBondContact O-N 2.89Å
124Q91.2Very high89.5Confident158 Ų15852.8 Ų52.874%0.73830%0.302SS*.Hα-helixtrans-67-35177.8-75.7174.421.200112.9E120 V122 G126E120-Q124 WeakPolarHBondContact O-CB 3.42Å; E120-Q124 VanDerWaalsContact O-CG 3.3Å; E120-Q124 WeakPolarHBondContact O-CG 3.46Å; E120-Q124 PolarHBondContact O-N 3.2Å; V122-Q124 VanDerWaalsContact C-N 3.28Å; V122-Q124 PolarHBondContact O-N 3.14Å; Q124-G126 VanDerWaalsContact C-N 3.26Å
125Q89.3Confident88.8Confident112 Ų11254 Ų5452%0.52331%0.309SS..Hα-helixtrans-71.9-26.1175.5-164.861.917.600112A121 V122A121-Q125 PolarHBondContact O-N 3.36Å; V122-Q125 PolarHBondContact O-N 3.21Å
126G91.1Very high88.6Confident38 Ų3852.9 Ų52.939%0.39230%0.303SS..  trans83.1155.6-175.300000112V122 Q123 Q124V122-G126 PolarHBondContact O-N 2.99Å; V122-G126 VanDerWaalsContact O-N 3.08Å; Q123-G126 PolarHBondContact O-N 2.89Å; Q124-G126 VanDerWaalsContact C-N 3.26Å
127I93.2Very high88.3Confident31 Ų3148.4 Ų48.416%0.15927%0.274CS..  trans-117.5125.8179.3-54.5-180000107.2V45 S46 A47 I65 L111 M115 L118 V122V45-I127 HydrophobicContact CG1-CG2 3.48Å; V45-I127 VanDerWaalsContact CG1-CG2 3.48Å; S46-I127 WeakPolarHBondContact O-CA 3.47Å; S46-I127 WeakPolarHBondContact O-CG2 3.27Å; A47-I127 HydrophobicContact CB-CG1 4.11Å; A47-I127 HydrophobicContact CB-CG2 4.28Å; I65-I127 HydrophobicContact CD1-CD1 4.45Å; L111-I127 HydrophobicContact CD1-CD1 4.17Å; L111-I127 HydrophobicContact CD1-CG2 4.35Å; L111-I127 HydrophobicContact CD2-CB 4.21Å; L111-I127 HydrophobicContact CD2-CG2 3.68Å; M115-I127 HydrophobicContact CE-CD1 3.73Å; M115-I127 HydrophobicContact CE-CG1 4.31Å; M115-I127 HydrophobicContact SD-CD1 3.67Å; M115-I127 HydrophobicContact SD-CG1 4.38Å; L118-I127 HydrophobicContact CD1-CD1 3.28Å; V122-I127 HydrophobicContact CG1-CD1 4.32Å; V122-I127 HydrophobicContact CG1-CG1 4.3Å
128S91.4Very high88.3Confident48 Ų4844.4 Ų44.434%0.33625%0.246SC..EExtended strand (participates in β ladder)trans-90.2145.4176.585.50000110.5V45 S46 D130V45-S128 CarbonylContact C-O 3.55Å; V45-S128 WeakPolarHBondContact CA-O 3.36Å; S46-S128 PolarHBondContact N-O 3.41Å; S46-S128 PolarHBondContact O-N 3.45Å; S128-D130 WeakPolarHBondContact CB-OD2 3.24Å; S128-D130 PolarHBondContact OG-OD2 2.83Å
129V92.8Very high88.3Confident15 Ų1544.1 Ų44.19%0.09124%0.244CC..EExtended strand (participates in β ladder)trans-133.6101.4176.4-175.10000107.8I43 T44 V45 Q104 V107 L111I43-V129 HydrophobicContact CG2-CG1 3.54Å; T44-V129 WeakPolarHBondContact O-CA 3.36Å; V45-V129 HydrophobicContact CG1-CG2 4.44Å; V45-V129 HydrophobicContact CG2-CG1 4.36Å; V45-V129 HydrophobicContact CG2-CG2 4.25Å; Q104-V129 HydrophobicContact CG-CG1 4Å; Q104-V129 PolarHBondContact NE2-O 3.24Å; V107-V129 HydrophobicContact CB-CG1 4.49Å; V107-V129 HydrophobicContact CG1-CG1 3.9Å; L111-V129 HydrophobicContact CD2-CG2 3.44Å; L111-V129 VanDerWaalsContact CD2-CG2 3.44Å
130D87.8Confident88.3Confident55 Ų5542.7 Ų42.729%0.29424%0.235SC..EExtended strand (participates in β ladder)trans-117.6144.7-166.9-61.2-61.2000112.5T44 S128 S132T44-D130 PolarHBondContact N-O 3.34Å; T44-D130 PolarHBondContact O-N 3.01Å; S128-D130 WeakPolarHBondContact CB-OD2 3.24Å; S128-D130 PolarHBondContact OG-OD2 2.83Å; D130-S132 VanDerWaalsContact C-N 3.32Å; D130-S132 PolarHBondContact O-N 2.85Å
131K86.9Confident88.4Confident51 Ų5135.7 Ų35.722%0.22220%0.203CC..  trans-92.358.6173.3-63.6170.7-177.7145.10111I43 P100 D101 Q104 T295I43-K131 HydrophobicContact CD1-CG 3.79Å; P100-K131 HydrophobicContact CB-CD 4.27Å; P100-K131 VanDerWaalsContact O-CE 3.22Å; P100-K131 WeakPolarHBondContact O-CE 3.4Å; D101-K131 VanDerWaalsContact OD1-CE 3.27Å; D101-K131 WeakPolarHBondContact OD1-CE 3.44Å; D101-K131 IonicContact OD1-NZ 3.35Å; D101-K131 PolarHBondContact OD1-NZ 3.5Å; Q104-K131 HydrophobicContact CB-CD 4.46Å; Q104-K131 VanDerWaalsContact CB-CE 3.43Å; Q104-K131 HydrophobicContact CB-CG 4.13Å; Q104-K131 VanDerWaalsContact CD-CE 3.47Å; Q104-K131 HydrophobicContact CG-CG 4.33Å; K131-T295 PolarHBondContact O-N 3.41Å; K131-T295 PolarHBondContact O-OG1 3.36Å
132S73.1Confident88.6Confident7 Ų733.7 Ų33.75%0.04919%0.186CC..EExtended strand (participates in β ladder)trans-107.5137.3179.665.60000110.6T42 D130T42-S132 PolarHBondContact OG1-O 3.13Å; T42-S132 VanDerWaalsContact OG1-O 3.13Å; D130-S132 VanDerWaalsContact C-N 3.32Å; D130-S132 PolarHBondContact O-N 2.85Å
133S71.4Confident88.6Confident14 Ų1434.3 Ų34.310%0.09819%0.189CC..EExtended strand (participates in β ladder)trans-68.7160.3157.553.40000109.9N135 K292S133-N135 VanDerWaalsContact C-N 3.25Å; S133-N135 WeakPolarHBondContact CB-OD1 3.42Å; S133-N135 PolarHBondContact O-N 3.03Å; S133-N135 PolarHBondContact OG-OD1 3.11Å; S133-K292 WeakPolarHBondContact O-CD 3.46Å
134S69.9Low88.7Confident61 Ų6131.1 Ų31.143%0.42718%0.175SC..EExtended strand (participates in β ladder)trans-73.1-17.1-179.450.90000113.4
135N78.2Confident88.5Confident26 Ų2628.2 Ų28.214%0.13917%0.165CC..EExtended strand (participates in β ladder)trans-80.6143.8-176.164.5-29.7000114S133 A670S133-N135 VanDerWaalsContact C-N 3.25Å; S133-N135 WeakPolarHBondContact CB-OD1 3.42Å; S133-N135 PolarHBondContact O-N 3.03Å; S133-N135 PolarHBondContact OG-OD1 3.11Å; N135-A670 HydrophobicContact CB-CB 3.87Å; N135-A670 WeakPolarHBondContact CB-O 3.28Å
136I89.1Confident88.4Confident8 Ų828.2 Ų28.24%0.04117%0.168CC..EExtended strand (participates in β ladder)trans-88.5124.7173.5-58.7172.1000107.2M138 V139 A290 Y327 F626I136-M138 VanDerWaalsContact CG2-O 3.26Å; I136-M138 WeakPolarHBondContact CG2-O 3.33Å; I136-V139 HydrophobicContact CG2-CG2 3.78Å; I136-A290 HydrophobicContact CD1-CB 3.94Å; I136-A290 HydrophobicContact CG1-CB 4.23Å; I136-A290 HydrophobicContact CG2-CB 3.94Å; I136-Y327 HydrophobicContact CB-CE1 4.29Å; I136-Y327 HydrophobicContact CG2-CD1 4.15Å; I136-Y327 HydrophobicContact CG2-CE1 4.24Å; I136-Y327 WeakPolarHBondContact O-CE1 3.34Å; I136-F626 HydrophobicContact CD1-CE1 3.87Å; I136-F626 HydrophobicContact CD1-CZ 3.8Å
137L89.6Confident88.1Confident6 Ų629.2 Ų29.23%0.03118%0.178CC..EExtended strand (participates in β ladder)trans-70.3-51.2173.1171.967.5000109.9I291 L293 A299 T302 T329 T330L137-I291 WeakPolarHBondContact CB-O 3.35Å; L137-I291 PolarHBondContact N-O 3.4Å; L137-L293 HydrophobicContact CB-CB 4.41Å; L137-L293 HydrophobicContact CD2-CD1 4.11Å; L137-A299 HydrophobicContact CD1-CB 3.69Å; L137-T302 HydrophobicContact CD2-CG2 3.82Å; L137-T329 PolarHBondContact O-N 3.31Å; L137-T329 PolarHBondContact O-OG1 3.07Å; L137-T330 HydrophobicContact CD1-CG2 4.07Å
138M93.6Very high87.9Confident0 Ų031.1 Ų31.10%019%0.194CC..EExtended strand (participates in β ladder)trans-153.4158178.762.7170.156.300111.4I136 I291 S303 V306 Y327 D328I136-M138 VanDerWaalsContact CG2-O 3.26Å; I136-M138 WeakPolarHBondContact CG2-O 3.33Å; M138-I291 HydrophobicContact CG-CB 4.15Å; M138-I291 HydrophobicContact CG-CD1 3.74Å; M138-I291 PolarHBondContact N-O 3.32Å; M138-I291 PolarHBondContact O-N 2.98Å; M138-I291 HydrophobicContact SD-CD1 4.11Å; M138-S303 VanDerWaalsContact CE-CB 3.41Å; M138-S303 WeakPolarHBondContact CE-OG 3.34Å; M138-V306 HydrophobicContact SD-CB 4.31Å; M138-V306 HydrophobicContact SD-CG1 3.73Å; M138-Y327 CarbonylContact C-O 3.53Å; M138-Y327 WeakPolarHBondContact CA-O 3.24Å; M138-Y327 WeakPolarHBondContact CB-O 3.32Å; M138-D328 HydrophobicContact CB-CB 4.43Å
139V96Very high87.8Confident0 Ų030.5 Ų30.50%019%0.187CC..EExtended strand (participates in β ladder)trans-115119.7166.5-1780000107.4I136 F178 I289 A290 P326 Y327 F608 F626I136-V139 HydrophobicContact CG2-CG2 3.78Å; V139-F178 HydrophobicContact CG1-CD2 4.45Å; V139-F178 HydrophobicContact CG1-CE2 4.15Å; V139-F178 HydrophobicContact CG2-CE2 4.44Å; V139-I289 WeakPolarHBondContact CA-O 3.45Å; V139-A290 HydrophobicContact CG2-CB 4.1Å; V139-P326 HydrophobicContact CB-CG 4.32Å; V139-P326 HydrophobicContact CG1-CG 4.2Å; V139-P326 VanDerWaalsContact O-CD 3.24Å; V139-P326 WeakPolarHBondContact O-CD 3.45Å; V139-Y327 HydrophobicContact CG2-CD1 4.22Å; V139-Y327 HydrophobicContact CG2-CG 4.38Å; V139-Y327 PolarHBondContact N-O 2.88Å; V139-F608 HydrophobicContact CG1-CD1 4.14Å; V139-F608 HydrophobicContact CG1-CE1 3.9Å; V139-F626 HydrophobicContact CG2-CD1 4.29Å; V139-F626 HydrophobicContact CG2-CE1 4.06Å; V139-F626 HydrophobicContact CG2-CE2 4.49Å; V139-F626 HydrophobicContact CG2-CZ 4.15Å
140A96.3Very high87.8Confident0 Ų033.3 Ų33.30%020%0.202CC..EExtended strand (participates in β ladder)trans-93.3118.3167.100000108.1F142 G288 I289 I291 L310 T323 Y325A140-F142 HydrophobicContact CB-CE2 4.43Å; A140-F142 HydrophobicContact CB-CZ 4.38Å; A140-G288 CarbonylContact O-C 3.53Å; A140-G288 VanDerWaalsContact O-CA 3.3Å; A140-G288 WeakPolarHBondContact O-CA 3.32Å; A140-I289 HydrophobicContact CB-CG2 4.05Å; A140-I289 PolarHBondContact N-O 3.17Å; A140-I289 PolarHBondContact O-N 3.31Å; A140-I291 HydrophobicContact CB-CD1 4.36Å; A140-L310 HydrophobicContact CB-CD1 3.85Å; A140-T323 HydrophobicContact CB-CG2 4.34Å; A140-Y325 HydrophobicContact CB-CD1 4.22Å; A140-Y325 HydrophobicContact CB-CE1 4.17Å
141A96.1Very high88Confident0 Ų031.2 Ų31.20%019%0.19CC..EExtended strand (participates in β ladder)trans-105149.9175.500000111.1A287 T323 V324 P326 F608A141-A287 CarbonylContact C-O 3.58Å; A141-A287 WeakPolarHBondContact CA-O 3.41Å; A141-T323 CarbonylContact O-C 3.55Å; A141-T323 WeakPolarHBondContact O-CA 3.49Å; A141-V324 HydrophobicContact CB-CG2 3.94Å; A141-V324 PolarHBondContact N-O 2.92Å; A141-V324 WeakPolarHBondContact O-CG2 3.26Å; A141-V324 PolarHBondContact O-N 2.91Å; A141-V324 VanDerWaalsContact O-O 3.08Å; A141-P326 HydrophobicContact CB-CG 3.73Å; A141-F608 HydrophobicContact CB-CD2 3.76Å; A141-F608 HydrophobicContact CB-CE2 3.63Å; A141-F608 HydrophobicContact CB-CZ 4.34Å
142F96.1Very high88.2Confident0 Ų032.3 Ų32.30%019%0.193CC..EExtended strand (participates in β ladder)trans-122.5128.3-176.2-56.5-89.7000108.6A140 I154 V158 I162 A286 A287 I289 L310 F317 L321 K322 T323A140-F142 HydrophobicContact CB-CE2 4.43Å; A140-F142 HydrophobicContact CB-CZ 4.38Å; F142-I154 HydrophobicContact CB-CG2 3.61Å; F142-V158 HydrophobicContact CB-CG2 4.08Å; F142-V158 HydrophobicContact CD1-CG2 4.22Å; F142-V158 HydrophobicContact CD2-CB 4.41Å; F142-V158 HydrophobicContact CD2-CG1 4.15Å; F142-V158 HydrophobicContact CD2-CG2 3.31Å; F142-V158 HydrophobicContact CE2-CB 4.46Å; F142-V158 HydrophobicContact CE2-CG1 3.78Å; F142-V158 HydrophobicContact CE2-CG2 3.7Å; F142-V158 HydrophobicContact CG-CG2 3.6Å; F142-V158 HydrophobicContact CZ-CG1 4.44Å; F142-V158 HydrophobicContact CZ-CG2 4.31Å; F142-I162 HydrophobicContact CD1-CD1 4.1Å; F142-I162 HydrophobicContact CE1-CD1 3.51Å; F142-I162 HydrophobicContact CZ-CD1 3.83Å; F142-I162 HydrophobicContact CZ-CG2 3.97Å; F142-A286 VanDerWaalsContact O-CA 3.25Å; F142-A286 WeakPolarHBondContact O-CA 3.46Å; F142-A286 WeakPolarHBondContact O-CB 3.34Å; F142-A287 PolarHBondContact N-O 3.35Å; F142-A287 PolarHBondContact O-N 2.84Å; F142-I289 HydrophobicContact CE2-CG2 4.01Å; F142-L310 HydrophobicContact CE1-CD2 3.99Å; F142-L310 HydrophobicContact CZ-CD2 3.82Å; F142-F317 HydrophobicContact CD1-CE2 4.44Å; F142-F317 HydrophobicContact CE1-CE2 4.38Å; F142-F317 HydrophobicContact CE1-CZ 4.15Å; F142-L321 HydrophobicContact CB-CD1 4.07Å; F142-K322 WeakPolarHBondContact CA-O 3.47Å; F142-T323 HydrophobicContact CD1-CG2 4.4Å; F142-T323 HydrophobicContact CE1-CG2 3.99Å; F142-T323 WeakPolarHBondContact CE1-OG1 3.41Å; F142-T323 HydrophobicContact CZ-CG2 4.48Å
143I94.9Very high89.2Confident13 Ų1334.2 Ų34.27%0.06720%0.203CC..EExtended strand (participates in β ladder)trans-129.5151.5-175.761.3171.1000110.8Y281 A286 K322 V324I143-Y281 HydrophobicContact CD1-CD1 4.18Å; I143-Y281 HydrophobicContact CD1-CE1 4.33Å; I143-Y281 HydrophobicContact CG2-CD1 3.89Å; I143-Y281 HydrophobicContact CG2-CG 4.01Å; I143-A286 HydrophobicContact CG2-CB 3.89Å; I143-K322 HydrophobicContact CG1-CB 4.35Å; I143-K322 PolarHBondContact N-O 3.01Å; I143-K322 PolarHBondContact O-N 3.31Å; I143-V324 HydrophobicContact CD1-CG1 4.01Å; I143-V324 HydrophobicContact CG1-CG1 4.38Å; I143-V324 HydrophobicContact CG2-CG2 4.32Å
144S94.8Very high90.3Very high10 Ų1033.6 Ų33.67%0.0720%0.198CC..EExtended strand (participates in β ladder)trans-95116.7171.5-174.40000110.3N146 G147 S148 L149 S320S144-N146 VanDerWaalsContact C-N 3.35Å; S144-N146 PolarHBondContact O-N 2.93Å; S144-N146 PolarHBondContact OG-OD1 3.15Å; S144-N146 VanDerWaalsContact OG-OD1 3.09Å; S144-G147 PolarHBondContact O-N 2.92Å; S144-G147 PolarHBondContact OG-N 3.49Å; S144-S148 PolarHBondContact OG-N 3.36Å; S144-L149 PolarHBondContact OG-N 2.8Å; S144-S320 CarbonylContact C-O 3.21Å; S144-S320 VanDerWaalsContact CA-O 3.27Å; S144-S320 WeakPolarHBondContact CA-O 3.42Å
145D86.9Confident91.5Very high98 Ų9830.7 Ų30.752%0.52418%0.178SC..SBendtrans-65.9-36.8-177.5-87.5-20.2000112.3S320D145-S320 PolarHBondContact N-O 3.43Å
146N87Confident92.3Very high112 Ų11231 Ų3160%0.59918%0.18SC*.SBendtrans-96.8-3-179.869.3-3.5000113.8S144 S148 S320S144-N146 VanDerWaalsContact C-N 3.35Å; S144-N146 PolarHBondContact O-N 2.93Å; S144-N146 PolarHBondContact OG-OD1 3.15Å; S144-N146 VanDerWaalsContact OG-OD1 3.09Å; N146-S148 VanDerWaalsContact C-N 3.26Å; N146-S148 PolarHBondContact O-N 2.95Å; N146-S148 WeakPolarHBondContact OD1-CB 3.48Å; N146-S148 PolarHBondContact OD1-N 3.49Å; N146-S148 PolarHBondContact OD1-OG 3.48Å; N146-S320 VanDerWaalsContact CG-CB 3.47Å; N146-S320 WeakPolarHBondContact OD1-CB 3.49Å
147G84.7Confident92.6Very high58 Ų5832.5 Ų32.560%0.59819%0.185SC*.SBendtrans68.717.4-176.600000114.9S144 L149S144-G147 PolarHBondContact O-N 2.92Å; S144-G147 PolarHBondContact OG-N 3.49Å; G147-L149 VanDerWaalsContact C-N 3.26Å; G147-L149 PolarHBondContact O-N 3.47Å
148S89Confident92.9Very high71 Ų7132.2 Ų32.250%0.49718%0.184SC..  trans-71.2-24.1179.271.10000113.1S144 N146 S320S144-S148 PolarHBondContact OG-N 3.36Å; N146-S148 VanDerWaalsContact C-N 3.26Å; N146-S148 PolarHBondContact O-N 2.95Å; N146-S148 WeakPolarHBondContact OD1-CB 3.48Å; N146-S148 PolarHBondContact OD1-N 3.49Å; N146-S148 PolarHBondContact OD1-OG 3.48Å; S148-S320 PolarHBondContact OG-OG 2.84Å
149L90.8Very high93Very high36 Ų3632.8 Ų32.819%0.18819%0.188CC..SBendtrans-106.8131.9-179.8-55.6175.8000109S144 G147 D153 I154 P318 L321S144-L149 PolarHBondContact OG-N 2.8Å; G147-L149 VanDerWaalsContact C-N 3.26Å; G147-L149 PolarHBondContact O-N 3.47Å; L149-D153 HydrophobicContact CB-CB 3.94Å; L149-D153 HydrophobicContact CD2-CB 4.05Å; L149-I154 HydrophobicContact CB-CD1 4.29Å; L149-I154 HydrophobicContact CB-CG1 3.76Å; L149-I154 HydrophobicContact CD1-CG1 4.34Å; L149-P318 HydrophobicContact CD1-CB 4.4Å; L149-L321 HydrophobicContact CD1-CB 4.47Å; L149-L321 HydrophobicContact CD1-CD1 4.3Å
150N91.4Very high92.9Very high73 Ų7335.7 Ų35.739%0.3921%0.209SC..  trans-80.7177170.471.948.1000110.4Y152 D153 I154N150-Y152 VanDerWaalsContact C-N 3.28Å; N150-Y152 PolarHBondContact O-N 2.79Å; N150-Y152 WeakPolarHBondContact OD1-CA 3.35Å; N150-Y152 WeakPolarHBondContact OD1-CB 3.5Å; N150-Y152 PolarHBondContact OD1-N 2.82Å; N150-D153 PolarHBondContact N-OD2 3.04Å; N150-D153 PolarHBondContact ND2-OD2 3.31Å; N150-D153 PolarHBondContact O-N 3.45Å; N150-D153 PolarHBondContact OD1-N 2.82Å; N150-D153 PolarHBondContact OD1-OD2 3.34Å; N150-I154 WeakPolarHBondContact O-CD1 3.33Å; N150-I154 VanDerWaalsContact O-CG1 3.24Å; N150-I154 WeakPolarHBondContact O-CG1 3.47Å; N150-I154 PolarHBondContact O-N 2.93Å; N150-I154 VanDerWaalsContact O-N 3.16Å
151Q91.6Very high92.8Very high11 Ų1139.4 Ų39.45%0.05123%0.229CC..Hα-helixtrans-56.8-41.2179.6171-178-13.500112.7I154 A155 T277 A279 P285 A286Q151-I154 PolarHBondContact O-N 2.96Å; Q151-A155 WeakPolarHBondContact O-CB 3.14Å; Q151-A155 PolarHBondContact O-N 2.95Å; Q151-T277 PolarHBondContact NE2-O 2.93Å; Q151-A279 VanDerWaalsContact NE2-N 3.12Å; Q151-P285 HydrophobicContact CB-CB 4.26Å; Q151-A286 WeakPolarHBondContact CG-O 3.42Å
152Y92.5Very high92.8Very high75 Ų7539.5 Ų39.529%0.29423%0.229SC..Hα-helixtrans-72.8-39.2-175.6-48.1-62.9000111.4N150 I154 A155 D156 A272 Y275N150-Y152 VanDerWaalsContact C-N 3.28Å; N150-Y152 PolarHBondContact O-N 2.79Å; N150-Y152 WeakPolarHBondContact OD1-CA 3.35Å; N150-Y152 WeakPolarHBondContact OD1-CB 3.5Å; N150-Y152 PolarHBondContact OD1-N 2.82Å; Y152-I154 VanDerWaalsContact C-N 3.27Å; Y152-I154 PolarHBondContact O-N 3.36Å; Y152-A155 PolarHBondContact O-N 2.89Å; Y152-D156 WeakPolarHBondContact O-CB 3.4Å; Y152-D156 PolarHBondContact O-N 2.74Å; Y152-A272 HydrophobicContact CD1-CB 3.61Å; Y152-A272 HydrophobicContact CE1-CB 4.15Å; Y152-A272 HydrophobicContact CG-CB 4.16Å; Y152-Y275 AromaticContact CE1-CD1 3.8Å; Y152-Y275 HydrophobicContact CE1-CD1 3.8Å; Y152-Y275 HydrophobicContact CE1-CE1 4.06Å; Y152-Y275 HydrophobicContact CE2-CE1 4.23Å; Y152-Y275 AromaticContact CZ-CD1 3.74Å; Y152-Y275 AromaticContact CZ-CE1 3.87Å
153D93.8Very high92.7Very high47 Ų4743.1 Ų43.125%0.25125%0.245SC..Hα-helixtrans-57.4-43.3171.9-64.3-57.6000111.1L149 N150 Y157 Y182L149-D153 HydrophobicContact CB-CB 3.94Å; L149-D153 HydrophobicContact CD2-CB 4.05Å; N150-D153 PolarHBondContact N-OD2 3.04Å; N150-D153 PolarHBondContact ND2-OD2 3.31Å; N150-D153 PolarHBondContact O-N 3.45Å; N150-D153 PolarHBondContact OD1-N 2.82Å; N150-D153 PolarHBondContact OD1-OD2 3.34Å; D153-Y157 PolarHBondContact O-N 3.03Å; D153-Y182 VanDerWaalsContact CA-OH 3.27Å; D153-Y182 WeakPolarHBondContact CA-OH 3.3Å; D153-Y182 VanDerWaalsContact CG-OH 3.32Å; D153-Y182 PolarHBondContact N-OH 3.39Å; D153-Y182 PolarHBondContact OD1-OH 3.05Å
154I94.8Very high92.7Very high0 Ų046.4 Ų46.40%026%0.262CS..Hα-helixtrans-68.3-46.1179.3-61.7164.6000110.1F142 L149 N150 Q151 Y152 D156 Y157 V158 A287 L321F142-I154 HydrophobicContact CB-CG2 3.61Å; L149-I154 HydrophobicContact CB-CD1 4.29Å; L149-I154 HydrophobicContact CB-CG1 3.76Å; L149-I154 HydrophobicContact CD1-CG1 4.34Å; N150-I154 WeakPolarHBondContact O-CD1 3.33Å; N150-I154 VanDerWaalsContact O-CG1 3.24Å; N150-I154 WeakPolarHBondContact O-CG1 3.47Å; N150-I154 PolarHBondContact O-N 2.93Å; N150-I154 VanDerWaalsContact O-N 3.16Å; Q151-I154 PolarHBondContact O-N 2.96Å; Y152-I154 VanDerWaalsContact C-N 3.27Å; Y152-I154 PolarHBondContact O-N 3.36Å; I154-D156 VanDerWaalsContact C-N 3.35Å; I154-D156 PolarHBondContact O-N 2.87Å; I154-Y157 PolarHBondContact O-N 3.35Å; I154-V158 HydrophobicContact CG2-CG2 4.38Å; I154-V158 WeakPolarHBondContact O-CG2 3.37Å; I154-V158 PolarHBondContact O-N 2.87Å; I154-A287 HydrophobicContact CB-CB 4.3Å; I154-A287 HydrophobicContact CG2-CB 3.73Å; I154-L321 HydrophobicContact CB-CD1 4.44Å; I154-L321 HydrophobicContact CG1-CD1 4.03Å; I154-L321 HydrophobicContact CG2-CD1 3.79Å
155A95.3Very high92.7Very high0 Ų047.1 Ų47.10%027%0.267CS..Hα-helixtrans-62.7-40.8-17900000112.2Q151 Y152 V158 A159 S180 A287Q151-A155 WeakPolarHBondContact O-CB 3.14Å; Q151-A155 PolarHBondContact O-N 2.95Å; Y152-A155 PolarHBondContact O-N 2.89Å; A155-V158 PolarHBondContact O-N 3.12Å; A155-A159 WeakPolarHBondContact O-CB 3.31Å; A155-A159 PolarHBondContact O-N 3.34Å; A155-S180 CarbonylContact C-O 3.38Å; A155-S180 WeakPolarHBondContact CB-O 3.35Å; A155-A287 HydrophobicContact CB-CB 3.86Å
156D95.1Very high93Very high33 Ų3342.4 Ų42.418%0.17624%0.242CC..Hα-helixtrans-61.6-46.4175.5176.568.7000112.2Y152 I154 V158 A159 S160 S180 Y182Y152-D156 WeakPolarHBondContact O-CB 3.4Å; Y152-D156 PolarHBondContact O-N 2.74Å; I154-D156 VanDerWaalsContact C-N 3.35Å; I154-D156 PolarHBondContact O-N 2.87Å; D156-V158 VanDerWaalsContact C-N 3.3Å; D156-V158 PolarHBondContact O-N 2.93Å; D156-A159 PolarHBondContact O-N 2.94Å; D156-S160 VanDerWaalsContact O-CB 3.27Å; D156-S160 WeakPolarHBondContact O-CB 3.38Å; D156-S160 PolarHBondContact O-N 3.09Å; D156-S160 PolarHBondContact O-OG 3.04Å; D156-S160 VanDerWaalsContact O-OG 3.1Å; D156-S180 PolarHBondContact N-O 2.83Å; D156-Y182 HydrophobicContact CB-CD1 4.09Å; D156-Y182 HydrophobicContact CB-CD2 3.59Å; D156-Y182 HydrophobicContact CB-CE1 4.24Å; D156-Y182 HydrophobicContact CB-CE2 3.76Å; D156-Y182 HydrophobicContact CB-CG 3.77Å; D156-Y182 WeakPolarHBondContact OD1-CB 3.47Å; D156-Y182 WeakPolarHBondContact OD1-CD2 3.32Å; D156-Y182 PolarHBondContact OD1-N 3.23Å; D156-Y182 WeakPolarHBondContact OD2-CD2 3.49Å
157Y94.9Very high93.3Very high40 Ų4039.4 Ų39.416%0.15723%0.229CC..Hα-helixtrans-60.8-42.4177.2-172.7-90.1000111.8D153 I154 N161 I162 Y316 F317 P318 L321D153-Y157 PolarHBondContact O-N 3.03Å; I154-Y157 PolarHBondContact O-N 3.35Å; Y157-N161 WeakPolarHBondContact CD2-ND2 3.37Å; Y157-N161 HydrophobicContact CE1-CB 4.23Å; Y157-N161 HydrophobicContact CE2-CB 4.42Å; Y157-N161 WeakPolarHBondContact O-CB 3.33Å; Y157-N161 PolarHBondContact O-N 2.85Å; Y157-N161 PolarHBondContact O-ND2 3.33Å; Y157-I162 HydrophobicContact CD1-CD1 4.1Å; Y157-I162 HydrophobicContact CD1-CG1 4.48Å; Y157-I162 HydrophobicContact CE1-CD1 4.02Å; Y157-I162 HydrophobicContact CE1-CG1 4.27Å; Y157-Y316 VanDerWaalsContact OH-C 3.31Å; Y157-Y316 PolarHBondContact OH-O 2.82Å; Y157-F317 AromaticContact CE1-CD1 3.61Å; Y157-F317 HydrophobicContact CE1-CD1 3.61Å; Y157-F317 AromaticContact CE1-CE1 3.95Å; Y157-F317 HydrophobicContact CE1-CE1 3.95Å; Y157-F317 HydrophobicContact CE1-CG 4.35Å; Y157-F317 WeakPolarHBondContact OH-CA 3.41Å; Y157-P318 HydrophobicContact CD2-CG 4.08Å; Y157-P318 HydrophobicContact CE2-CG 4.03Å; Y157-L321 HydrophobicContact CD1-CD2 3.51Å; Y157-L321 HydrophobicContact CE1-CD2 3.87Å; Y157-L321 HydrophobicContact CG-CD2 4.26Å
158V95.6Very high93.7Very high0 Ų044.8 Ų44.80%023%0.232CC..Hα-helixtrans-64.6-46177.81770000110.6F142 I154 A155 D156 I162 K163 L177 A287F142-V158 HydrophobicContact CB-CG2 4.08Å; F142-V158 HydrophobicContact CD1-CG2 4.22Å; F142-V158 HydrophobicContact CD2-CB 4.41Å; F142-V158 HydrophobicContact CD2-CG1 4.15Å; F142-V158 HydrophobicContact CD2-CG2 3.31Å; F142-V158 HydrophobicContact CE2-CB 4.46Å; F142-V158 HydrophobicContact CE2-CG1 3.78Å; F142-V158 HydrophobicContact CE2-CG2 3.7Å; F142-V158 HydrophobicContact CG-CG2 3.6Å; F142-V158 HydrophobicContact CZ-CG1 4.44Å; F142-V158 HydrophobicContact CZ-CG2 4.31Å; I154-V158 HydrophobicContact CG2-CG2 4.38Å; I154-V158 WeakPolarHBondContact O-CG2 3.37Å; I154-V158 PolarHBondContact O-N 2.87Å; A155-V158 PolarHBondContact O-N 3.12Å; D156-V158 VanDerWaalsContact C-N 3.3Å; D156-V158 PolarHBondContact O-N 2.93Å; V158-I162 HydrophobicContact CG1-CB 4.25Å; V158-I162 HydrophobicContact CG2-CD1 4.19Å; V158-I162 CarbonylContact O-C 3.57Å; V158-I162 WeakPolarHBondContact O-CA 3.39Å; V158-I162 WeakPolarHBondContact O-CB 3.32Å; V158-I162 PolarHBondContact O-N 2.76Å; V158-K163 PolarHBondContact O-N 2.85Å; V158-L177 HydrophobicContact CB-CD1 4.11Å; V158-L177 HydrophobicContact CG1-CD1 3.57Å; V158-A287 HydrophobicContact CG2-CB 4.47Å
159A95.1Very high94Very high11 Ų1142.2 Ų42.29%0.09121%0.213CC..Iπ-helixtrans-61.3-46.9178.400000111.9A155 D156 L177 E181A155-A159 WeakPolarHBondContact O-CB 3.31Å; A155-A159 PolarHBondContact O-N 3.34Å; D156-A159 PolarHBondContact O-N 2.94Å; A159-L177 HydrophobicContact CB-CD2 3.67Å; A159-E181 HydrophobicContact CB-CB 3.66Å
160S94.1Very high94.1Very high62 Ų6244.3 Ų44.343%0.43424%0.235SC..Iπ-helixtrans-75.5-36.3-173.3-66.80000113.9D156D156-S160 VanDerWaalsContact O-CB 3.27Å; D156-S160 WeakPolarHBondContact O-CB 3.38Å; D156-S160 PolarHBondContact O-N 3.09Å; D156-S160 PolarHBondContact O-OG 3.04Å; D156-S160 VanDerWaalsContact O-OG 3.1Å
161N94.8Very high94Very high78 Ų7841.9 Ų41.942%0.41723%0.228SC..Iπ-helixtrans-118-19.8-168.8-59.8-79.1000114.4Y157 P165Y157-N161 WeakPolarHBondContact CD2-ND2 3.37Å; Y157-N161 HydrophobicContact CE1-CB 4.23Å; Y157-N161 HydrophobicContact CE2-CB 4.42Å; Y157-N161 WeakPolarHBondContact O-CB 3.33Å; Y157-N161 PolarHBondContact O-N 2.85Å; Y157-N161 PolarHBondContact O-ND2 3.33Å; N161-P165 WeakPolarHBondContact O-CG 3.38Å
162I95.3Very high94Very high1 Ų142.1 Ų42.11%0.00523%0.23CC..Iπ-helixtrans-116.3-43.3-169.7-55.9-179.2000112.1F142 Y157 V158 D164 P165 L166 L310 L313 F317F142-I162 HydrophobicContact CD1-CD1 4.1Å; F142-I162 HydrophobicContact CE1-CD1 3.51Å; F142-I162 HydrophobicContact CZ-CD1 3.83Å; F142-I162 HydrophobicContact CZ-CG2 3.97Å; Y157-I162 HydrophobicContact CD1-CD1 4.1Å; Y157-I162 HydrophobicContact CD1-CG1 4.48Å; Y157-I162 HydrophobicContact CE1-CD1 4.02Å; Y157-I162 HydrophobicContact CE1-CG1 4.27Å; V158-I162 HydrophobicContact CG1-CB 4.25Å; V158-I162 HydrophobicContact CG2-CD1 4.19Å; V158-I162 CarbonylContact O-C 3.57Å; V158-I162 WeakPolarHBondContact O-CA 3.39Å; V158-I162 WeakPolarHBondContact O-CB 3.32Å; V158-I162 PolarHBondContact O-N 2.76Å; I162-D164 VanDerWaalsContact C-N 3.32Å; I162-D164 PolarHBondContact O-N 3.5Å; I162-P165 WeakPolarHBondContact O-CD 3.29Å; I162-L166 HydrophobicContact CG2-CD1 3.53Å; I162-L166 HydrophobicContact CG2-CG 3.87Å; I162-L166 WeakPolarHBondContact O-CB 3.19Å; I162-L166 WeakPolarHBondContact O-CG 3.44Å; I162-L166 PolarHBondContact O-N 3.49Å; I162-L310 HydrophobicContact CG2-CD2 3.68Å; I162-L313 HydrophobicContact CG1-CD1 4.46Å; I162-L313 HydrophobicContact CG2-CD1 4.3Å; I162-F317 HydrophobicContact CD1-CE1 3.59Å; I162-F317 HydrophobicContact CD1-CZ 3.62Å; I162-F317 HydrophobicContact CG1-CE1 4.17Å
163K94.4Very high93.7Very high76 Ų7639.8 Ų39.833%0.3323%0.229SC..Iπ-helixtrans-54.1-48.2-175.4-178.6-170.2172.2-160.60111.7V158 L166 S167 V175 I289V158-K163 PolarHBondContact O-N 2.85Å; K163-L166 PolarHBondContact O-N 2.94Å; K163-S167 WeakPolarHBondContact O-CB 3.39Å; K163-S167 PolarHBondContact O-N 3.33Å; K163-S167 PolarHBondContact O-OG 2.82Å; K163-V175 HydrophobicContact CG-CG2 3.81Å; K163-I289 HydrophobicContact CB-CD1 4.15Å; K163-I289 HydrophobicContact CG-CD1 4.13Å
164D94.1Very high93.5Very high82 Ų8238.8 Ų38.844%0.43923%0.226SC..Hα-helixtrans-67.2-51.9-176.1-101.836.1000113.9I162 L166 S167 R168I162-D164 VanDerWaalsContact C-N 3.32Å; I162-D164 PolarHBondContact O-N 3.5Å; D164-L166 VanDerWaalsContact C-N 3.29Å; D164-L166 PolarHBondContact O-N 3.4Å; D164-S167 PolarHBondContact O-N 2.92Å; D164-R168 PolarHBondContact O-N 2.96Å; D164-R168 IonicContact OD2-NH1 3.53Å; D164-R168 PolarHBondContact OD2-NH1 3.06Å
165P95.1Very high93.4Very high25 Ų2540 Ų4016%0.16223%0.233CC..Hα-helixtrans-56.7-41.7172.1-27.234.9000113.3N161 I162 R168 T169 E309 L313N161-P165 WeakPolarHBondContact O-CG 3.38Å; I162-P165 WeakPolarHBondContact O-CD 3.29Å; P165-R168 PolarHBondContact O-N 2.87Å; P165-T169 PolarHBondContact O-N 3.1Å; P165-T169 PolarHBondContact O-OG1 2.86Å; P165-T169 VanDerWaalsContact O-OG1 3.11Å; P165-E309 HydrophobicContact CB-CG 4.44Å; P165-E309 WeakPolarHBondContact CB-OE1 3.47Å; P165-L313 HydrophobicContact CB-CD1 4.09Å; P165-L313 HydrophobicContact CG-CD1 4.36Å
166L93.8Very high93.2Very high0 Ų042.1 Ų42.10%024%0.243CC..Hα-helixtrans-64.8-41.8177.4-77.7-173.5000112.8I162 K163 D164 R168 T169 I289 V306 E309 L310I162-L166 HydrophobicContact CG2-CD1 3.53Å; I162-L166 HydrophobicContact CG2-CG 3.87Å; I162-L166 WeakPolarHBondContact O-CB 3.19Å; I162-L166 WeakPolarHBondContact O-CG 3.44Å; I162-L166 PolarHBondContact O-N 3.49Å; K163-L166 PolarHBondContact O-N 2.94Å; D164-L166 VanDerWaalsContact C-N 3.29Å; D164-L166 PolarHBondContact O-N 3.4Å; L166-R168 PolarHBondContact O-N 3.3Å; L166-R168 VanDerWaalsContact O-N 3.15Å; L166-T169 VanDerWaalsContact O-CB 3.3Å; L166-T169 WeakPolarHBondContact O-CB 3.43Å; L166-T169 PolarHBondContact O-N 3.46Å; L166-T169 PolarHBondContact O-OG1 2.93Å; L166-I289 HydrophobicContact CD1-CD1 4.18Å; L166-I289 HydrophobicContact CD1-CG2 3.87Å; L166-V306 HydrophobicContact CD2-CG1 3.93Å; L166-E309 HydrophobicContact CD2-CG 4.43Å; L166-L310 HydrophobicContact CD1-CD2 4.05Å; L166-L310 HydrophobicContact CD1-CG 4.48Å; L166-L310 HydrophobicContact CD2-CD2 4.32Å; L166-L310 HydrophobicContact CD2-CG 4.07Å; L166-L310 HydrophobicContact CG-CD2 4.45Å
167S93Very high93.1Very high48 Ų4841.9 Ų41.934%0.33624%0.241SC..Hα-helixtrans-60.8-24.5177.7-57.80000112.4K163 D164 V175K163-S167 WeakPolarHBondContact O-CB 3.39Å; K163-S167 PolarHBondContact O-N 3.33Å; K163-S167 PolarHBondContact O-OG 2.82Å; D164-S167 PolarHBondContact O-N 2.92Å; S167-V175 WeakPolarHBondContact OG-CG2 3.38Å
168R93.6Very high93.1Very high171 Ų17140 Ų4065%0.64523%0.234SC*.THydrogen-bonded Turntrans-97.1-2.4177.9-64.7-174.5-66.9-97.71113.5D164 P165 L166D164-R168 PolarHBondContact O-N 2.96Å; D164-R168 IonicContact OD2-NH1 3.53Å; D164-R168 PolarHBondContact OD2-NH1 3.06Å; P165-R168 PolarHBondContact O-N 2.87Å; L166-R168 PolarHBondContact O-N 3.3Å; L166-R168 VanDerWaalsContact O-N 3.15Å
169T94.9Very high92.8Very high17 Ų1740.7 Ų40.710%0.10424%0.242CC..SBendtrans-66.2135.6176.6-60.70000109.6P165 L166 G171 V172 A305 V306P165-T169 PolarHBondContact O-N 3.1Å; P165-T169 PolarHBondContact O-OG1 2.86Å; P165-T169 VanDerWaalsContact O-OG1 3.11Å; L166-T169 VanDerWaalsContact O-CB 3.3Å; L166-T169 WeakPolarHBondContact O-CB 3.43Å; L166-T169 PolarHBondContact O-N 3.46Å; L166-T169 PolarHBondContact O-OG1 2.93Å; T169-G171 PolarHBondContact O-N 3.44Å; T169-V172 HydrophobicContact CG2-CG2 4.43Å; T169-V172 WeakPolarHBondContact O-CB 3.33Å; T169-V172 PolarHBondContact O-N 3.18Å; T169-V172 VanDerWaalsContact O-N 3.1Å; T169-A305 HydrophobicContact CG2-CB 3.57Å; T169-V306 HydrophobicContact CG2-CG2 4.04Å
170A92.3Very high92.6Very high80 Ų8040.7 Ų40.766%0.66124%0.241SC*.THydrogen-bonded Turntrans-56.2130.3-176.900000111.3V172A170-V172 VanDerWaalsContact C-N 3.33Å
171G89.3Confident92.5Very high23 Ų2342 Ų4224%0.23724%0.24CC..THydrogen-bonded Turntrans86.7-8.118000000115.6T169 G173 A294 T302T169-G171 PolarHBondContact O-N 3.44Å; G171-G173 PolarHBondContact O-N 3.07Å; G171-A294 WeakPolarHBondContact O-CB 3.37Å; G171-A294 PolarHBondContact O-N 3.23Å; G171-T302 VanDerWaalsContact C-CG2 3.49Å; G171-T302 WeakPolarHBondContact CA-OG1 3.3Å
172V92Very high92.5Very high15 Ų1540.9 Ų40.99%0.09123%0.23CC..EExtended strand (participates in β ladder)trans-74.8124.8170.7175.60000109.4T169 A170 V175 I291 T302 V306T169-V172 HydrophobicContact CG2-CG2 4.43Å; T169-V172 WeakPolarHBondContact O-CB 3.33Å; T169-V172 PolarHBondContact O-N 3.18Å; T169-V172 VanDerWaalsContact O-N 3.1Å; A170-V172 VanDerWaalsContact C-N 3.33Å; V172-V175 HydrophobicContact CG1-CG1 3.66Å; V172-I291 HydrophobicContact CB-CG2 4.46Å; V172-I291 HydrophobicContact CG1-CG2 4.03Å; V172-I291 HydrophobicContact CG2-CG2 3.86Å; V172-T302 HydrophobicContact CG2-CG2 3.97Å; V172-V306 HydrophobicContact CG2-CG2 3.65Å
173G86.7Confident92.4Very high27 Ų2742.1 Ų42.128%0.27824%0.24SC..EExtended strand (participates in β ladder)trans-88.3-55.5178.300000111.7G171 K292G171-G173 PolarHBondContact O-N 3.07Å; G173-K292 PolarHBondContact N-O 3.4Å
174S89.6Confident92.5Very high25 Ų2540.5 Ų40.518%0.17524%0.235CC..EExtended strand (participates in β ladder)trans-148.3154176.167.90000110K292S174-K292 PolarHBondContact O-N 3.37Å
175V91.7Very high92.5Very high25 Ų2539.9 Ų39.915%0.15223%0.226CC..EExtended strand (participates in β ladder)trans-119.7139.8173-58.60000110.5K163 S167 V172 I289 A290 I291K163-V175 HydrophobicContact CG-CG2 3.81Å; S167-V175 WeakPolarHBondContact OG-CG2 3.38Å; V172-V175 HydrophobicContact CG1-CG1 3.66Å; V175-I289 HydrophobicContact CB-CD1 3.76Å; V175-I289 HydrophobicContact CB-CG1 3.89Å; V175-I289 HydrophobicContact CG1-CD1 4.24Å; V175-I289 HydrophobicContact CG2-CD1 3.94Å; V175-I289 HydrophobicContact CG2-CG1 4.48Å; V175-A290 CarbonylContact C-O 3.5Å; V175-A290 WeakPolarHBondContact CA-O 3.26Å; V175-I291 HydrophobicContact CG1-CG1 4.23Å
176Q91.2Very high92.6Very high45 Ų4540.6 Ų40.621%0.2123%0.228CC..EExtended strand (participates in β ladder)trans-119.5117174.5-178.5179.2-4.400109F178 I289 A290Q176-F178 HydrophobicContact CG-CE1 4.17Å; Q176-I289 CarbonylContact O-C 3.55Å; Q176-I289 WeakPolarHBondContact O-CA 3.41Å; Q176-A290 HydrophobicContact CB-CB 4.33Å; Q176-A290 PolarHBondContact N-O 3.31Å; Q176-A290 PolarHBondContact O-N 3.17Å
177L94Very high92.7Very high28 Ų2845.1 Ų45.115%0.14725%0.245CC..EExtended strand (participates in β ladder)trans-82.4130.4175.2-177.765.7000109.8V158 A159 G179V158-L177 HydrophobicContact CB-CD1 4.11Å; V158-L177 HydrophobicContact CG1-CD1 3.57Å; A159-L177 HydrophobicContact CB-CD2 3.67Å; L177-G179 WeakPolarHBondContact CD2-O 3.16Å; L177-G179 WeakPolarHBondContact CG-O 3.05Å; L177-G179 PolarHBondContact O-N 3.15Å
178F94Very high92.8Very high1 Ų145.9 Ų45.90%0.00425%0.246CC..EExtended strand (participates in β ladder)trans-9478.8169-57.1-50.2000109V139 Q176 A279 G288 A290 F608 V610 F613 F626V139-F178 HydrophobicContact CG1-CD2 4.45Å; V139-F178 HydrophobicContact CG1-CE2 4.15Å; V139-F178 HydrophobicContact CG2-CE2 4.44Å; Q176-F178 HydrophobicContact CG-CE1 4.17Å; F178-A279 HydrophobicContact CB-CB 4.13Å; F178-G288 WeakPolarHBondContact CB-O 3.11Å; F178-G288 PolarHBondContact N-O 3.49Å; F178-A290 HydrophobicContact CE2-CB 3.69Å; F178-A290 HydrophobicContact CZ-CB 3.65Å; F178-F608 AromaticContact CD2-CE1 3.69Å; F178-F608 HydrophobicContact CD2-CE1 3.69Å; F178-F608 HydrophobicContact CD2-CZ 4.04Å; F178-F608 HydrophobicContact CE2-CE1 4.08Å; F178-V610 HydrophobicContact CB-CG1 4.15Å; F178-V610 HydrophobicContact CB-CG2 4.31Å; F178-V610 HydrophobicContact CD1-CG1 3.84Å; F178-V610 HydrophobicContact CD1-CG2 4.26Å; F178-V610 HydrophobicContact CD2-CG2 3.87Å; F178-V610 HydrophobicContact CE1-CG1 4.44Å; F178-V610 HydrophobicContact CE2-CG2 4.17Å; F178-V610 HydrophobicContact CG-CG1 4.04Å; F178-V610 HydrophobicContact CG-CG2 3.9Å; F178-F613 AromaticContact CE1-CD1 3.87Å; F178-F613 HydrophobicContact CE1-CD1 3.87Å; F178-F613 HydrophobicContact CE1-CE1 4.03Å; F178-F613 HydrophobicContact CE1-CG 4.22Å; F178-F613 HydrophobicContact CZ-CD1 4.43Å; F178-F613 HydrophobicContact CZ-CE1 4.32Å; F178-F626 HydrophobicContact CE2-CE2 4.24Å; F178-F626 HydrophobicContact CE2-CZ 4.5Å; F178-F626 HydrophobicContact CZ-CE2 4.34Å; F178-F626 HydrophobicContact CZ-CZ 4.36Å
179G90.6Very high93Very high15 Ų1540.1 Ų40.116%0.15523%0.227CC..SBendtrans145.4-176.9-171.500000109.4L177 T277L177-G179 WeakPolarHBondContact CD2-O 3.16Å; L177-G179 WeakPolarHBondContact CG-O 3.05Å; L177-G179 PolarHBondContact O-N 3.15Å; G179-T277 PolarHBondContact N-OG1 3.5Å
180S89.4Confident93Very high11 Ų1144 Ų448%0.07725%0.253CS..  trans-137.2164.6177.277.30000111.4A155 D156 A272 E273 D274A155-S180 CarbonylContact C-O 3.38Å; A155-S180 WeakPolarHBondContact CB-O 3.35Å; D156-S180 PolarHBondContact N-O 2.83Å; S180-A272 WeakPolarHBondContact OG-CB 2.99Å; S180-E273 PolarHBondContact OG-N 3.1Å; S180-E273 VanDerWaalsContact OG-N 3.09Å; S180-D274 PolarHBondContact OG-N 3.02Å; S180-D274 PolarHBondContact OG-O 3.29Å
181E93.2Very high93.1Very high89 Ų8947.8 Ų47.842%0.41626%0.257SS..  trans-68.2170.9165.564.5-171.2125.100111.9A159 E273A159-E181 HydrophobicContact CB-CB 3.66Å; E181-E273 WeakPolarHBondContact O-CB 3.42Å; E181-E273 PolarHBondContact O-N 2.94Å
182Y94.3Very high93.4Very high55 Ų5551.2 Ų51.222%0.21627%0.265CS..EExtended strand (participates in β ladder)trans-72.2138.5170.7-77.3-33.2000112.8D153 D156 L270 G271D153-Y182 VanDerWaalsContact CA-OH 3.27Å; D153-Y182 WeakPolarHBondContact CA-OH 3.3Å; D153-Y182 VanDerWaalsContact CG-OH 3.32Å; D153-Y182 PolarHBondContact N-OH 3.39Å; D153-Y182 PolarHBondContact OD1-OH 3.05Å; D156-Y182 HydrophobicContact CB-CD1 4.09Å; D156-Y182 HydrophobicContact CB-CD2 3.59Å; D156-Y182 HydrophobicContact CB-CE1 4.24Å; D156-Y182 HydrophobicContact CB-CE2 3.76Å; D156-Y182 HydrophobicContact CB-CG 3.77Å; D156-Y182 WeakPolarHBondContact OD1-CB 3.47Å; D156-Y182 WeakPolarHBondContact OD1-CD2 3.32Å; D156-Y182 PolarHBondContact OD1-N 3.23Å; D156-Y182 WeakPolarHBondContact OD2-CD2 3.49Å; Y182-L270 HydrophobicContact CD1-CG 4.5Å; Y182-L270 HydrophobicContact CD2-CD2 3.46Å; Y182-L270 VanDerWaalsContact CD2-CD2 3.46Å; Y182-L270 HydrophobicContact CD2-CG 4.07Å; Y182-L270 HydrophobicContact CE2-CD2 3.98Å; Y182-L270 HydrophobicContact CG-CD2 3.87Å; Y182-L270 HydrophobicContact CG-CG 3.94Å; Y182-G271 CarbonylContact C-O 3.51Å; Y182-G271 WeakPolarHBondContact CA-O 3.26Å; Y182-G271 WeakPolarHBondContact CD1-O 3.45Å
183A93.9Very high93.5Very high26 Ų2650.9 Ų50.922%0.21526%0.263CS..EExtended strand (participates in β ladder)trans-124.4150.8167.300000110.2R185 G271 E273A183-R185 PolarHBondContact O-N 3.31Å; A183-R185 VanDerWaalsContact O-N 3.1Å; A183-G271 PolarHBondContact N-O 3.03Å; A183-G271 PolarHBondContact O-N 3.05Å; A183-G271 VanDerWaalsContact O-N 3.1Å; A183-E273 HydrophobicContact CB-CB 3.82Å; A183-E273 HydrophobicContact CB-CG 4.2Å
184M95.2Very high93.9Very high43 Ų4355.1 Ų55.121%0.21228%0.279CS..EExtended strand (participates in β ladder)trans-70.9105.4169.1-172.458.157.800109.3I186 P243 F246 V268 L270M184-I186 HydrophobicContact CG-CG1 4.44Å; M184-P243 HydrophobicContact CE-CB 4.43Å; M184-P243 HydrophobicContact CE-CG 3.93Å; M184-P243 HydrophobicContact SD-CB 4.2Å; M184-P243 HydrophobicContact SD-CG 4.17Å; M184-F246 HydrophobicContact CB-CE2 4.26Å; M184-F246 HydrophobicContact CB-CZ 4.24Å; M184-F246 HydrophobicContact CE-CD2 3.72Å; M184-F246 HydrophobicContact CE-CE2 3.93Å; M184-F246 HydrophobicContact CG-CB 4.33Å; M184-F246 HydrophobicContact CG-CD1 3.9Å; M184-F246 HydrophobicContact CG-CD2 3.66Å; M184-F246 HydrophobicContact CG-CE1 4.04Å; M184-F246 HydrophobicContact CG-CE2 3.8Å; M184-F246 HydrophobicContact CG-CG 3.7Å; M184-F246 HydrophobicContact CG-CZ 3.99Å; M184-F246 HydrophobicContact SD-CB 4.38Å; M184-F246 HydrophobicContact SD-CD2 3.97Å; M184-F246 HydrophobicContact SD-CE2 4.48Å; M184-F246 HydrophobicContact SD-CG 4.21Å; M184-V268 HydrophobicContact CG-CG1 4.3Å; M184-V268 HydrophobicContact SD-CG1 3.56Å; M184-V268 VanDerWaalsContact SD-CG1 3.56Å; M184-L270 HydrophobicContact CE-CD1 3.95Å
185R95Very high94Very high68 Ų6861 Ų6126%0.25730%0.302SS..EExtended strand (participates in β ladder)trans-91.6118.1-177.8-60.7-58.3-65.3-166.70.1110.1A183 W187 V268 E269 A272 E273A183-R185 PolarHBondContact O-N 3.31Å; A183-R185 VanDerWaalsContact O-N 3.1Å; R185-W187 HydrophobicContact CB-CZ2 4.23Å; R185-W187 HydrophobicContact CG-CZ2 4.32Å; R185-W187 VanDerWaalsContact NH2-CH2 3.31Å; R185-V268 WeakPolarHBondContact O-CA 3.38Å; R185-E269 HydrophobicContact CB-CG 4.22Å; R185-E269 PolarHBondContact N-O 3.29Å; R185-E269 PolarHBondContact O-N 3.3Å; R185-A272 WeakPolarHBondContact CD-O 3.26Å; R185-E273 PolarHBondContact NH1-O 2.95Å
186I96Very high94Very high41 Ų4162 Ų6221%0.2130%0.303CS..EExtended strand (participates in β ladder)trans-110.792.8177.8-59.7166000107.8M184 L188 I207 F246 L262 A266 V268M184-I186 HydrophobicContact CG-CG1 4.44Å; I186-L188 HydrophobicContact CG2-CD2 4Å; I186-L188 PolarHBondContact O-N 3.26Å; I186-I207 HydrophobicContact CD1-CD1 3.46Å; I186-I207 VanDerWaalsContact CD1-CD1 3.46Å; I186-I207 HydrophobicContact CD1-CG1 4.22Å; I186-F246 HydrophobicContact CD1-CD1 4.07Å; I186-L262 HydrophobicContact CD1-CD2 3.81Å; I186-L262 HydrophobicContact CG1-CD2 4.11Å; I186-L262 HydrophobicContact CG2-CD1 3.8Å; I186-L262 HydrophobicContact CG2-CD2 3.89Å; I186-L262 HydrophobicContact CG2-CG 4.16Å; I186-A266 HydrophobicContact CG2-CB 3.71Å; I186-V268 HydrophobicContact CG1-CG1 4.39Å; I186-V268 HydrophobicContact CG1-CG2 4.42Å
187W96Very high94.1Very high94 Ų9465.8 Ų65.836%0.35633%0.325SS..EExtended strand (participates in β ladder)trans-8497.3-179-57103.2000110.1R185 A266 R267 E269 Y275R185-W187 HydrophobicContact CB-CZ2 4.23Å; R185-W187 HydrophobicContact CG-CZ2 4.32Å; R185-W187 VanDerWaalsContact NH2-CH2 3.31Å; W187-A266 CarbonylContact O-C 3.5Å; W187-A266 WeakPolarHBondContact O-CA 3.39Å; W187-A266 WeakPolarHBondContact O-CB 3.31Å; W187-R267 HydrophobicContact CB-CB 4.2Å; W187-R267 PolarHBondContact N-O 3.41Å; W187-R267 PolarHBondContact O-N 2.86Å; W187-E269 PolarHBondContact NE1-OE1 2.87Å; W187-Y275 HydrophobicContact CH2-CE2 4.37Å; W187-Y275 HydrophobicContact CZ2-CE2 4.11Å
188L96.6Very high94.1Very high65 Ų6565 Ų6534%0.3432%0.321SS..EExtended strand (participates in β ladder)trans-64.8132-179.5-59.4-179.4000111.5I186 L193 P200 V203 A266I186-L188 HydrophobicContact CG2-CD2 4Å; I186-L188 PolarHBondContact O-N 3.26Å; L188-L193 HydrophobicContact CB-CD1 3.98Å; L188-L193 HydrophobicContact CD1-CD1 4.24Å; L188-L193 HydrophobicContact CD2-CD1 4.45Å; L188-L193 HydrophobicContact CG-CD1 4.46Å; L188-P200 HydrophobicContact CD1-CB 3.84Å; L188-P200 HydrophobicContact CD1-CG 4.21Å; L188-V203 HydrophobicContact CD2-CB 4.29Å; L188-V203 HydrophobicContact CD2-CG1 3.91Å; L188-V203 HydrophobicContact CD2-CG2 4.14Å; L188-A266 HydrophobicContact CD2-CB 3.99Å
189D96.7Very high94.1Very high49 Ų4968.5 Ų68.526%0.26234%0.342SS..  trans-97.4110.3171.3-177.2-29.9000109Q191 K192 L193 V265D189-Q191 PolarHBondContact O-N 3.45Å; D189-Q191 WeakPolarHBondContact OD1-CB 3.41Å; D189-Q191 PolarHBondContact OD1-N 2.95Å; D189-K192 HydrophobicContact CB-CB 4.02Å; D189-K192 HydrophobicContact CB-CD 3.96Å; D189-K192 HydrophobicContact CB-CG 4.03Å; D189-K192 PolarHBondContact O-N 3.16Å; D189-K192 PolarHBondContact OD1-N 3.1Å; D189-K192 WeakPolarHBondContact OD2-CD 3.2Å; D189-K192 WeakPolarHBondContact OD2-CE 3.2Å; D189-K192 WeakPolarHBondContact OD2-CG 3Å; D189-K192 IonicContact OD2-NZ 3.55Å; D189-L193 PolarHBondContact O-N 3.44Å; D189-V265 WeakPolarHBondContact CB-O 3.43Å; D189-V265 PolarHBondContact N-O 2.67Å
190P95.2Very high94.3Very high98 Ų9871 Ų7164%0.63636%0.355SS*.Hα-helixtrans-64.3-29-175.425.7-33.7000112.7N194P190-N194 WeakPolarHBondContact O-CB 3.49Å; P190-N194 PolarHBondContact O-N 3.3Å; P190-N194 VanDerWaalsContact O-N 3.07Å
191Q95.5Very high94.5Very high161 Ų16173.5 Ų73.575%0.75237%0.373SS*.Hα-helixtrans-72.6-41.5178.5-61.6-173.9-4.900110.8D189 N194 K195D189-Q191 PolarHBondContact O-N 3.45Å; D189-Q191 WeakPolarHBondContact OD1-CB 3.41Å; D189-Q191 PolarHBondContact OD1-N 2.95Å; Q191-N194 PolarHBondContact O-N 2.95Å; Q191-K195 PolarHBondContact O-N 2.99Å; Q191-K195 VanDerWaalsContact O-N 3.08Å
192K94Very high94.6Very high95 Ų9572.2 Ų72.241%0.41337%0.369SS..Hα-helixtrans-69.4-39.7176.5-64-178.8-172.1177.30111.8D189 N194 K195 Y196 D264 V265D189-K192 HydrophobicContact CB-CB 4.02Å; D189-K192 HydrophobicContact CB-CD 3.96Å; D189-K192 HydrophobicContact CB-CG 4.03Å; D189-K192 PolarHBondContact O-N 3.16Å; D189-K192 PolarHBondContact OD1-N 3.1Å; D189-K192 WeakPolarHBondContact OD2-CD 3.2Å; D189-K192 WeakPolarHBondContact OD2-CE 3.2Å; D189-K192 WeakPolarHBondContact OD2-CG 3Å; D189-K192 IonicContact OD2-NZ 3.55Å; K192-N194 VanDerWaalsContact C-N 3.34Å; K192-N194 PolarHBondContact O-N 3Å; K192-K195 WeakPolarHBondContact O-CB 3.27Å; K192-K195 PolarHBondContact O-N 2.6Å; K192-Y196 WeakPolarHBondContact O-CD2 3.48Å; K192-Y196 PolarHBondContact O-N 3.16Å; K192-D264 VanDerWaalsContact CD-O 3.31Å; K192-D264 WeakPolarHBondContact CD-O 3.49Å; K192-V265 HydrophobicContact CB-CB 4.39Å; K192-V265 HydrophobicContact CB-CG1 4.44Å
193L94.8Very high94.6Very high7 Ų769.7 Ų69.74%0.03736%0.359CS..Hα-helixtrans-57.2-48172.8-80173.2000111.7L188 D189 K195 Y196 N197 L198 P200 V203 V265L188-L193 HydrophobicContact CB-CD1 3.98Å; L188-L193 HydrophobicContact CD1-CD1 4.24Å; L188-L193 HydrophobicContact CD2-CD1 4.45Å; L188-L193 HydrophobicContact CG-CD1 4.46Å; D189-L193 PolarHBondContact O-N 3.44Å; L193-K195 VanDerWaalsContact C-N 3.32Å; L193-K195 PolarHBondContact O-N 3.31Å; L193-Y196 PolarHBondContact O-N 2.92Å; L193-Y196 VanDerWaalsContact O-N 3.17Å; L193-N197 PolarHBondContact O-N 3.07Å; L193-L198 HydrophobicContact CD2-CB 3.69Å; L193-L198 HydrophobicContact CD2-CD1 4.45Å; L193-L198 PolarHBondContact O-N 3.46Å; L193-P200 HydrophobicContact CD1-CG 4.39Å; L193-V203 HydrophobicContact CD2-CG2 3.82Å; L193-V265 HydrophobicContact CD2-CB 3.89Å; L193-V265 HydrophobicContact CD2-CG1 4.33Å; L193-V265 HydrophobicContact CD2-CG2 3.91Å; L193-V265 HydrophobicContact CG-CB 4.19Å
194N94.5Very high94.6Very high116 Ų11672.7 Ų72.762%0.6237%0.371SS*.Hα-helixtrans-61.3-39.7178.6-168.529.7000112.2P190 Q191 K192 Y196 N197P190-N194 WeakPolarHBondContact O-CB 3.49Å; P190-N194 PolarHBondContact O-N 3.3Å; P190-N194 VanDerWaalsContact O-N 3.07Å; Q191-N194 PolarHBondContact O-N 2.95Å; K192-N194 VanDerWaalsContact C-N 3.34Å; K192-N194 PolarHBondContact O-N 3Å; N194-Y196 PolarHBondContact O-N 3.11Å; N194-Y196 VanDerWaalsContact O-N 3.16Å; N194-N197 PolarHBondContact O-N 3.26Å
195K92.4Very high94.5Very high150 Ų15073.6 Ų73.665%0.65238%0.381SS*.Hα-helixtrans-55.2-33.9176.9-174.7-174.4175.3-169.40113.2Q191 K192 L193Q191-K195 PolarHBondContact O-N 2.99Å; Q191-K195 VanDerWaalsContact O-N 3.08Å; K192-K195 WeakPolarHBondContact O-CB 3.27Å; K192-K195 PolarHBondContact O-N 2.6Å; L193-K195 VanDerWaalsContact C-N 3.32Å; L193-K195 PolarHBondContact O-N 3.31Å
196Y92Very high94.5Very high44 Ų4473.2 Ų73.217%0.17338%0.383CS..THydrogen-bonded Turntrans-99.97.9-179.5-62.4-71.9000113.6K192 L193 N194 L198 K252 V260 V265K192-Y196 WeakPolarHBondContact O-CD2 3.48Å; K192-Y196 PolarHBondContact O-N 3.16Å; L193-Y196 PolarHBondContact O-N 2.92Å; L193-Y196 VanDerWaalsContact O-N 3.17Å; N194-Y196 PolarHBondContact O-N 3.11Å; N194-Y196 VanDerWaalsContact O-N 3.16Å; Y196-L198 VanDerWaalsContact C-N 3.32Å; Y196-L198 PolarHBondContact O-N 3.24Å; Y196-K252 PolarHBondContact O-NZ 2.87Å; Y196-V260 HydrophobicContact CD1-CB 4.47Å; Y196-V260 HydrophobicContact CD1-CG1 4.09Å; Y196-V260 HydrophobicContact CD1-CG2 3.5Å; Y196-V260 HydrophobicContact CD2-CG1 3.95Å; Y196-V260 HydrophobicContact CE1-CG1 4.45Å; Y196-V260 HydrophobicContact CE1-CG2 3.92Å; Y196-V260 HydrophobicContact CE2-CG1 4.35Å; Y196-V260 HydrophobicContact CG-CG1 3.82Å; Y196-V260 HydrophobicContact CG-CG2 4.01Å; Y196-V265 HydrophobicContact CD2-CG1 3.61Å; Y196-V265 HydrophobicContact CE2-CG1 4.11Å
197N92Very high94.4Very high126 Ų12672.9 Ų72.967%0.67438%0.381SS*.THydrogen-bonded Turntrans50.253.4-172.6-59.5-51000111.1L193 N194 K252L193-N197 PolarHBondContact O-N 3.07Å; N194-N197 PolarHBondContact O-N 3.26Å; N197-K252 PolarHBondContact O-NZ 3.3Å
198L94.2Very high94.2Very high12 Ų1275.7 Ų75.76%0.06340%0.396CS..  trans-117.1146.7176.7-69.3173.3000109.9L193 Y196 D202 L251 K252 V260 V265L193-L198 HydrophobicContact CD2-CB 3.69Å; L193-L198 HydrophobicContact CD2-CD1 4.45Å; L193-L198 PolarHBondContact O-N 3.46Å; Y196-L198 VanDerWaalsContact C-N 3.32Å; Y196-L198 PolarHBondContact O-N 3.24Å; L198-D202 HydrophobicContact CD2-CB 4.15Å; L198-L251 HydrophobicContact CD1-CB 4Å; L198-L251 HydrophobicContact CD1-CD1 3.97Å; L198-K252 HydrophobicContact CD2-CB 4.22Å; L198-K252 HydrophobicContact CD2-CD 3.92Å; L198-V260 HydrophobicContact CD1-CG1 4.04Å; L198-V265 HydrophobicContact CD1-CG1 4.26Å
199V94.7Very high93.9Very high73 Ų7376.9 Ų76.944%0.44241%0.405SS..  trans-114159.5172.3-69.60000110.8S201 D202V199-S201 WeakPolarHBondContact CG2-OG 3.33Å; V199-S201 PolarHBondContact O-N 3.41Å; V199-S201 VanDerWaalsContact O-N 3.14Å; V199-D202 HydrophobicContact CG2-CB 4.5Å; V199-D202 VanDerWaalsContact CG2-OD2 3.25Å; V199-D202 WeakPolarHBondContact CG2-OD2 3.47Å; V199-D202 PolarHBondContact N-OD2 3.08Å; V199-D202 WeakPolarHBondContact O-CB 3.46Å; V199-D202 PolarHBondContact O-N 2.58Å
200P94.7Very high93.7Very high67 Ų6776.6 Ų76.644%0.43540%0.402SS..Hα-helixtrans-53.7-34.1178.5-29.336.7000114.2L188 L193 D202 V203 I204L188-P200 HydrophobicContact CD1-CB 3.84Å; L188-P200 HydrophobicContact CD1-CG 4.21Å; L193-P200 HydrophobicContact CD1-CG 4.39Å; P200-D202 VanDerWaalsContact C-N 3.27Å; P200-D202 PolarHBondContact O-N 2.85Å; P200-V203 PolarHBondContact O-N 3.23Å; P200-I204 WeakPolarHBondContact O-CG1 3.05Å; P200-I204 PolarHBondContact O-N 2.97Å
201S94.3Very high93.5Very high64 Ų6473.8 Ų73.845%0.44838%0.382SS..Hα-helixtrans-63.6-30.4177540000113.4V199 S205V199-S201 WeakPolarHBondContact CG2-OG 3.33Å; V199-S201 PolarHBondContact O-N 3.41Å; V199-S201 VanDerWaalsContact O-N 3.14Å; S201-S205 VanDerWaalsContact O-CB 3.3Å; S201-S205 WeakPolarHBondContact O-CB 3.44Å; S201-S205 PolarHBondContact O-N 3.36Å; S201-S205 PolarHBondContact O-OG 3.23Å
202D93.9Very high93Very high62 Ų6269.8 Ų69.833%0.33237%0.366SS..Hα-helixtrans-65.9-44.9175.1-59.8-31.1000109.7L198 V199 P200 S205 Q206L198-D202 HydrophobicContact CD2-CB 4.15Å; V199-D202 HydrophobicContact CG2-CB 4.5Å; V199-D202 VanDerWaalsContact CG2-OD2 3.25Å; V199-D202 WeakPolarHBondContact CG2-OD2 3.47Å; V199-D202 PolarHBondContact N-OD2 3.08Å; V199-D202 WeakPolarHBondContact O-CB 3.46Å; V199-D202 PolarHBondContact O-N 2.58Å; P200-D202 VanDerWaalsContact C-N 3.27Å; P200-D202 PolarHBondContact O-N 2.85Å; D202-S205 PolarHBondContact O-N 2.85Å; D202-Q206 WeakPolarHBondContact O-CG 3.48Å; D202-Q206 PolarHBondContact O-N 3.46Å
203V95.5Very high92.6Very high3 Ų371.3 Ų71.32%0.01837%0.374CS..Hα-helixtrans-62.9-48.2177.8179.90000110.9L188 L193 P200 S205 Q206 I207 L251 L262L188-V203 HydrophobicContact CD2-CB 4.29Å; L188-V203 HydrophobicContact CD2-CG1 3.91Å; L188-V203 HydrophobicContact CD2-CG2 4.14Å; L193-V203 HydrophobicContact CD2-CG2 3.82Å; P200-V203 PolarHBondContact O-N 3.23Å; V203-S205 VanDerWaalsContact C-N 3.29Å; V203-S205 PolarHBondContact O-N 2.99Å; V203-Q206 PolarHBondContact O-N 3Å; V203-I207 HydrophobicContact CG1-CD1 3.7Å; V203-I207 HydrophobicContact CG1-CG1 4.36Å; V203-I207 WeakPolarHBondContact O-CD1 3.4Å; V203-I207 VanDerWaalsContact O-CG1 3.28Å; V203-I207 WeakPolarHBondContact O-CG1 3.22Å; V203-I207 PolarHBondContact O-N 3.29Å; V203-L251 HydrophobicContact CB-CD2 4.44Å; V203-L251 HydrophobicContact CG1-CD2 4.44Å; V203-L251 HydrophobicContact CG2-CD1 4.04Å; V203-L251 HydrophobicContact CG2-CD2 4.17Å; V203-L262 HydrophobicContact CG1-CD1 3.53Å
204I93.7Very high92Very high89 Ų8974.9 Ų74.946%0.45639%0.392SS..Hα-helixtrans-57.3-45.3177.4-67.1165.4000110.6P200 I207 K208P200-I204 WeakPolarHBondContact O-CG1 3.05Å; P200-I204 PolarHBondContact O-N 2.97Å; I204-I207 PolarHBondContact O-N 3.03Å; I204-K208 HydrophobicContact CG2-CD 4.45Å; I204-K208 WeakPolarHBondContact O-CG 3.27Å; I204-K208 PolarHBondContact O-N 3.09Å
205S94Very high91.5Very high62 Ų6274.9 Ų74.943%0.43440%0.401SS..Hα-helixtrans-63.3-44.1-180-59.80000111.6S201 D202 V203 K208 V209S201-S205 VanDerWaalsContact O-CB 3.3Å; S201-S205 WeakPolarHBondContact O-CB 3.44Å; S201-S205 PolarHBondContact O-N 3.36Å; S201-S205 PolarHBondContact O-OG 3.23Å; D202-S205 PolarHBondContact O-N 2.85Å; V203-S205 VanDerWaalsContact C-N 3.29Å; V203-S205 PolarHBondContact O-N 2.99Å; S205-K208 PolarHBondContact O-N 2.92Å; S205-V209 WeakPolarHBondContact O-CG2 3.32Å; S205-V209 PolarHBondContact O-N 2.94Å
206Q93.6Very high91.1Very high60 Ų6068.9 Ų68.928%0.2838%0.382SS..Hα-helixtrans-68.4-35.9179.3-69.3-56.6-32.900112.9D202 V203 V209 Q210 I249 L251D202-Q206 WeakPolarHBondContact O-CG 3.48Å; D202-Q206 PolarHBondContact O-N 3.46Å; V203-Q206 PolarHBondContact O-N 3Å; Q206-V209 PolarHBondContact O-N 3.12Å; Q206-Q210 WeakPolarHBondContact O-CB 3.34Å; Q206-Q210 PolarHBondContact O-N 3.22Å; Q206-I249 HydrophobicContact CB-CG2 4.06Å; Q206-L251 HydrophobicContact CB-CD2 3.85Å; Q206-L251 HydrophobicContact CG-CD2 4.13Å
207I93.8Very high90.8Very high34 Ų3468.9 Ų68.917%0.17440%0.396CS..Hα-helixtrans-61.5-46.5171.4-66.2160.8000110I186 V203 I204 V209 Q210 N211 I249I186-I207 HydrophobicContact CD1-CD1 3.46Å; I186-I207 VanDerWaalsContact CD1-CD1 3.46Å; I186-I207 HydrophobicContact CD1-CG1 4.22Å; V203-I207 HydrophobicContact CG1-CD1 3.7Å; V203-I207 HydrophobicContact CG1-CG1 4.36Å; V203-I207 WeakPolarHBondContact O-CD1 3.4Å; V203-I207 VanDerWaalsContact O-CG1 3.28Å; V203-I207 WeakPolarHBondContact O-CG1 3.22Å; V203-I207 PolarHBondContact O-N 3.29Å; I204-I207 PolarHBondContact O-N 3.03Å; I207-V209 VanDerWaalsContact C-N 3.28Å; I207-V209 PolarHBondContact O-N 2.94Å; I207-Q210 PolarHBondContact O-N 3.26Å; I207-N211 HydrophobicContact CG2-CB 4.27Å; I207-N211 WeakPolarHBondContact O-CA 3.36Å; I207-N211 WeakPolarHBondContact O-CB 3.31Å; I207-N211 PolarHBondContact O-N 3.33Å; I207-I249 HydrophobicContact CG1-CD1 3.95Å
208K91.4Very high90.7Very high153 Ų15367.4 Ų67.467%0.66539%0.385SS*.Hα-helixtrans-61.6-35.2178.5-74.5-177.5178.7-174.80113.1I204 S205I204-K208 HydrophobicContact CG2-CD 4.45Å; I204-K208 WeakPolarHBondContact O-CG 3.27Å; I204-K208 PolarHBondContact O-N 3.09Å; S205-K208 PolarHBondContact O-N 2.92Å
209V90.7Very high90.5Very high89 Ų8971.4 Ų71.454%0.53941%0.406SS..Hα-helixtrans-76-45.7179.31720000111.6S205 Q206 I207S205-V209 WeakPolarHBondContact O-CG2 3.32Å; S205-V209 PolarHBondContact O-N 2.94Å; Q206-V209 PolarHBondContact O-N 3.12Å; I207-V209 VanDerWaalsContact C-N 3.28Å; I207-V209 PolarHBondContact O-N 2.94Å
210Q92Very high90.1Very high43 Ų4368.7 Ų68.720%0.20139%0.393CS..Hα-helixtrans-91.1-27-171-66.7177.156.100113.7Q206 I207 N212 Q237 L250Q206-Q210 WeakPolarHBondContact O-CB 3.34Å; Q206-Q210 PolarHBondContact O-N 3.22Å; I207-Q210 PolarHBondContact O-N 3.26Å; Q210-N212 VanDerWaalsContact C-N 3.32Å; Q210-N212 PolarHBondContact O-N 2.79Å; Q210-Q237 PolarHBondContact O-NE2 3.42Å; Q210-L250 PolarHBondContact NE2-O 3.28Å; Q210-L250 VanDerWaalsContact OE1-N 3.09Å
211N91.9Very high89.7Confident40 Ų4066.6 Ų66.621%0.21438%0.383CS..SBendtrans-96.454.2171-171.329.5000110.8I207 R239 L240 F246I207-N211 HydrophobicContact CG2-CB 4.27Å; I207-N211 WeakPolarHBondContact O-CA 3.36Å; I207-N211 WeakPolarHBondContact O-CB 3.31Å; I207-N211 PolarHBondContact O-N 3.33Å; N211-R239 VanDerWaalsContact OD1-CA 3.3Å; N211-R239 WeakPolarHBondContact OD1-CA 3.44Å; N211-R239 WeakPolarHBondContact OD1-CB 3.24Å; N211-L240 HydrophobicContact CB-CD1 4.04Å; N211-L240 HydrophobicContact CB-CG 4.32Å; N211-L240 PolarHBondContact OD1-N 2.89Å; N211-F246 HydrophobicContact CB-CE1 4.38Å; N211-F246 WeakPolarHBondContact ND2-CZ 3.32Å
212N85.7Confident89.3Confident76 Ų7671 Ų7141%0.40640%0.399SS..  trans-116.2153.8178.3-163.74.6000110.9Q210Q210-N212 VanDerWaalsContact C-N 3.32Å; Q210-N212 PolarHBondContact O-N 2.79Å
213Q84.5Confident88.8Confident128 Ų12874.4 Ų74.460%0.59842%0.424SS*.  trans-108.4104.2171.8-171.4164.314.900109.1R239Q213-R239 HydrophobicContact CB-CG 4.41Å
214I83.1Confident88.2Confident81 Ų8178.2 Ų78.242%0.41544%0.442SS..EExtended strand (participates in β ladder)trans-96.1133.5-175.8-53.7177.5000109.4G216I214-G216 PolarHBondContact O-N 2.85Å
215S83.9Confident87.7Confident116 Ų11676.6 Ų76.681%0.81144%0.442SS*.EExtended strand (participates in β ladder)trans-72.3111.8172.1-174.50000110.1G217S215-G217 VanDerWaalsContact C-N 3.32Å
216G82.7Confident87.1Confident24 Ų2479.2 Ų79.225%0.24747%0.467CS..EExtended strand (participates in β ladder)trans-79.9-9.9-179.800000115.4I214 I234I214-G216 PolarHBondContact O-N 2.85Å; G216-I234 WeakPolarHBondContact CA-O 3.44Å; G216-I234 WeakPolarHBondContact O-CB 3.35Å; G216-I234 WeakPolarHBondContact O-CD1 3.44Å
217G86.6Confident86.8Confident44 Ų4482.3 Ų82.345%0.45449%0.486SS..EExtended strand (participates in β ladder)trans69.5-151.6-167.500000112.3S215 I234S215-G217 VanDerWaalsContact C-N 3.32Å; G217-I234 PolarHBondContact O-N 3.02Å
218Q90.7Very high86.5Confident95 Ų9584.6 Ų84.644%0.44450%0.496SS..EExtended strand (participates in β ladder)trans-147.4140.7-177.759.4-175.30.500110.8G221 A232Q218-G221 PolarHBondContact O-N 3.47Å; Q218-A232 CarbonylContact C-O 3.57Å; Q218-A232 VanDerWaalsContact CA-O 3.27Å; Q218-A232 WeakPolarHBondContact CA-O 3.36Å; Q218-A232 WeakPolarHBondContact CB-O 3.25Å
219L88.2Confident86.2Confident96 Ų9686 Ų8650%0.50350%0.504SS..EExtended strand (participates in β ladder)trans-66.4135.9167-65.6173.5000108.8G221 N231 A232 I234L219-G221 PolarHBondContact O-N 3.44Å; L219-N231 CarbonylContact O-C 3.6Å; L219-N231 VanDerWaalsContact O-CA 3.24Å; L219-N231 WeakPolarHBondContact O-CA 2.94Å; L219-A232 HydrophobicContact CB-CB 4.43Å; L219-A232 PolarHBondContact N-O 3.1Å; L219-A232 PolarHBondContact O-N 3.07Å; L219-I234 HydrophobicContact CD2-CD1 4.02Å; L219-I234 HydrophobicContact CD2-CG1 4.48Å; L219-I234 HydrophobicContact CG-CD1 3.99Å; L219-I234 HydrophobicContact CG-CG1 3.94Å
220G87.4Confident86Confident17 Ų1786.7 Ų86.718%0.17551%0.505CS..THydrogen-bonded Turntrans62.729.6-176.500000113.7Q224 L230 N231G220-Q224 PolarHBondContact O-OE1 2.61Å; G220-L230 WeakPolarHBondContact CA-O 3.44Å; G220-N231 PolarHBondContact O-ND2 3.24Å
221G86.6Confident85.9Confident23 Ų2389 Ų8924%0.23752%0.519CS..PPolyproline II helixtrans-70.5146.1170.900000112.1Q218 L219 P223Q218-G221 PolarHBondContact O-N 3.47Å; L219-G221 PolarHBondContact O-N 3.44Å; G221-P223 CarbonylContact O-C 3.52Å
222M85.6Confident85.8Confident156 Ų15688.9 Ų88.977%0.76852%0.523SS*.SBendtrans-64.5143177.6-75.1-175.7179.800112.2Q224M222-Q224 VanDerWaalsContact CE-NE2 3.31Å
223P84.2Confident86Confident134 Ų13489.8 Ų89.887%0.8754%0.535SS*.SBendcis-78.1125-2.430.7-32.1000112G221G221-P223 CarbonylContact O-C 3.52Å
224Q82.6Confident86.2Confident83 Ų8386.9 Ų86.939%0.38852%0.523SS..PPolyproline II helixtrans-101.3163.8179.666.1-102.6-12.500112.7G220 M222 Q228G220-Q224 PolarHBondContact O-OE1 2.61Å; M222-Q224 VanDerWaalsContact CE-NE2 3.31Å; Q224-Q228 HydrophobicContact CB-CB 3.89Å; Q224-Q228 HydrophobicContact CB-CG 3.97Å; Q224-Q228 HydrophobicContact CG-CB 3.95Å; Q224-Q228 HydrophobicContact CG-CG 4.3Å
225A83Confident86.3Confident55 Ų5589.9 Ų89.946%0.45554%0.538SS..PPolyproline II helixtrans-62.1150.3170.400000111.5D227 Q228A225-D227 WeakPolarHBondContact CB-OD1 3.35Å; A225-D227 PolarHBondContact O-N 2.83Å; A225-D227 VanDerWaalsContact O-N 3.15Å; A225-Q228 HydrophobicContact CB-CB 4.46Å; A225-Q228 VanDerWaalsContact O-CB 3.27Å; A225-Q228 WeakPolarHBondContact O-CB 3.3Å; A225-Q228 PolarHBondContact O-N 3.02Å
226A80.6Confident86.2Confident117 Ų11788.5 Ų88.597%0.96753%0.525SS*.THydrogen-bonded Turntrans-63-22.4-17400000113.9
227D88Confident85.8Confident124 Ų12490.6 Ų90.666%0.66353%0.528SS*.THydrogen-bonded Turntrans-103.34.5178.763.3-28.3000113.5A225 Q229A225-D227 WeakPolarHBondContact CB-OD1 3.35Å; A225-D227 PolarHBondContact O-N 2.83Å; A225-D227 VanDerWaalsContact O-N 3.15Å; D227-Q229 PolarHBondContact O-N 3.45Å
228Q86.6Confident85.6Confident83 Ų8392.5 Ų92.539%0.38853%0.531SS..  trans-64.4106-179.8-176.469.230.800111.1Q224 A225 L230Q224-Q228 HydrophobicContact CB-CB 3.89Å; Q224-Q228 HydrophobicContact CB-CG 3.97Å; Q224-Q228 HydrophobicContact CG-CB 3.95Å; Q224-Q228 HydrophobicContact CG-CG 4.3Å; A225-Q228 HydrophobicContact CB-CB 4.46Å; A225-Q228 VanDerWaalsContact O-CB 3.27Å; A225-Q228 WeakPolarHBondContact O-CB 3.3Å; A225-Q228 PolarHBondContact O-N 3.02Å; Q228-L230 PolarHBondContact NE2-O 3.21Å
229Q86.3Confident85.5Confident181 Ų18195.7 Ų95.785%0.84654%0.539SS*.  trans-91.4-13.1179.4-63.5-61.5-48.200114.2D227D227-Q229 PolarHBondContact O-N 3.45Å
230L86.6Confident85.7Confident104 Ų10493.2 Ų93.255%0.54553%0.526SS..  trans-112.2124-175.3-179.266.4000110.8G220 Q228G220-L230 WeakPolarHBondContact CA-O 3.44Å; Q228-L230 PolarHBondContact NE2-O 3.21Å
231N89.5Confident85.9Confident93 Ų9399.8 Ų99.850%0.49755%0.552SS.*  trans-122.7126.3164.4-178-77.5000108.9L219 G220L219-N231 CarbonylContact O-C 3.6Å; L219-N231 VanDerWaalsContact O-CA 3.24Å; L219-N231 WeakPolarHBondContact O-CA 2.94Å; G220-N231 PolarHBondContact O-ND2 3.24Å
232A90.3Very high86.3Confident36 Ų36101.2 Ų101.230%0.29856%0.556SS.*EExtended strand (participates in β ladder)trans-149.8131.8-179.400000111.5Q218 L219Q218-A232 CarbonylContact C-O 3.57Å; Q218-A232 VanDerWaalsContact CA-O 3.27Å; Q218-A232 WeakPolarHBondContact CA-O 3.36Å; Q218-A232 WeakPolarHBondContact CB-O 3.25Å; L219-A232 HydrophobicContact CB-CB 4.43Å; L219-A232 PolarHBondContact N-O 3.1Å; L219-A232 PolarHBondContact O-N 3.07Å
233S90Very high86.7Confident95 Ų9595.4 Ų95.466%0.66453%0.53SS*.EExtended strand (participates in β ladder)trans-68.9136.3177-52.50000111.5
234I87.8Confident87.2Confident68 Ų6895 Ų9535%0.34952%0.517SS..EExtended strand (participates in β ladder)trans-92.9115.6177.5-59.6167.1000108G216 G217 L219 V236G216-I234 WeakPolarHBondContact CA-O 3.44Å; G216-I234 WeakPolarHBondContact O-CB 3.35Å; G216-I234 WeakPolarHBondContact O-CD1 3.44Å; G217-I234 PolarHBondContact O-N 3.02Å; L219-I234 HydrophobicContact CD2-CD1 4.02Å; L219-I234 HydrophobicContact CD2-CG1 4.48Å; L219-I234 HydrophobicContact CG-CD1 3.99Å; L219-I234 HydrophobicContact CG-CG1 3.94Å; I234-V236 HydrophobicContact CG2-CG2 3.8Å
235I85.3Confident87.7Confident143 Ų14394.8 Ų94.873%0.73352%0.516SS*.EExtended strand (participates in β ladder)trans-95.6110.8171.2-55.8174.1000106.9T238I235-T238 HydrophobicContact CG2-CG2 4Å
236V81.1Confident88.3Confident87 Ų8792.9 Ų92.953%0.52750%0.497SS..EExtended strand (participates in β ladder)trans-91.4-70-176.4-178.90000110.8I234I234-V236 HydrophobicContact CG2-CG2 3.8Å
237Q75.6Confident89Confident69 Ų6987.5 Ų87.532%0.32245%0.453SS..EExtended strand (participates in β ladder)trans-136.8125.9-173.5-167.6164.6-4.600108.7Q210Q210-Q237 PolarHBondContact O-NE2 3.42Å
238T81.4Confident89.3Confident84 Ų8487.8 Ų87.852%0.51545%0.449SS..PPolyproline II helixtrans-101.6156175.152.50000109.5I235I235-T238 HydrophobicContact CG2-CG2 4Å
239R89.6Confident89.7Confident162 Ų16284 Ų8461%0.61143%0.431SS*.PPolyproline II helixtrans-58.2143.5172.2-70.4-177.3175.9-176.4-1.3110.6N211 Q213N211-R239 VanDerWaalsContact OD1-CA 3.3Å; N211-R239 WeakPolarHBondContact OD1-CA 3.44Å; N211-R239 WeakPolarHBondContact OD1-CB 3.24Å; Q213-R239 HydrophobicContact CB-CG 4.41Å
240L92Very high90.1Very high43 Ų4378 Ų7823%0.22540%0.404CS..PPolyproline II helixtrans-69.4145.9173.5-54.4169.9000108.7N211 E245 F246 I249N211-L240 HydrophobicContact CB-CD1 4.04Å; N211-L240 HydrophobicContact CB-CG 4.32Å; N211-L240 PolarHBondContact OD1-N 2.89Å; L240-E245 HydrophobicContact CB-CB 4.22Å; L240-E245 HydrophobicContact CD2-CB 4.03Å; L240-F246 HydrophobicContact CB-CD2 3.77Å; L240-F246 HydrophobicContact CB-CE1 4.49Å; L240-F246 HydrophobicContact CB-CE2 3.51Å; L240-F246 HydrophobicContact CB-CG 4.39Å; L240-F246 HydrophobicContact CB-CZ 3.91Å; L240-F246 HydrophobicContact CD1-CD1 4.23Å; L240-F246 HydrophobicContact CD1-CD2 4.49Å; L240-F246 HydrophobicContact CD1-CE1 4.38Å; L240-F246 HydrophobicContact CD1-CG 4.3Å; L240-F246 WeakPolarHBondContact O-CE2 3.36Å; L240-I249 HydrophobicContact CD1-CD1 3.73Å; L240-I249 HydrophobicContact CD1-CG1 3.77Å
241Q91.1Very high90.5Very high156 Ų15673.8 Ų73.873%0.72938%0.382SS*.  trans-123.8-30.1-174.2-62.8-176.12.600113E245Q241-E245 PolarHBondContact N-OE2 3.37Å
242T94.2Very high90.6Very high53 Ų5373.1 Ų73.133%0.32538%0.375SS..SBendtrans-108.1148.2-172.260.70000112.7E244 E245 F246T242-E244 WeakPolarHBondContact CB-OE2 3.49Å; T242-E244 PolarHBondContact O-N 3.36Å; T242-E244 VanDerWaalsContact O-N 3.15Å; T242-E245 PolarHBondContact N-OE2 2.88Å; T242-E245 WeakPolarHBondContact O-CB 3.41Å; T242-E245 PolarHBondContact O-N 3.3Å; T242-E245 WeakPolarHBondContact OG1-CB 3.4Å; T242-E245 VanDerWaalsContact OG1-CD 3.26Å; T242-E245 WeakPolarHBondContact OG1-CG 3.39Å; T242-E245 PolarHBondContact OG1-N 2.93Å; T242-E245 PolarHBondContact OG1-OE2 2.84Å; T242-F246 WeakPolarHBondContact O-CD2 3.34Å; T242-F246 PolarHBondContact O-N 3.07Å; T242-F246 VanDerWaalsContact O-N 3.1Å
243P94.4Very high90.7Very high33 Ų3375.3 Ų75.321%0.21439%0.385CS..Hα-helixtrans-54-33.6174.6-25.734.7000113M184 F246 G247 V268 L270M184-P243 HydrophobicContact CE-CB 4.43Å; M184-P243 HydrophobicContact CE-CG 3.93Å; M184-P243 HydrophobicContact SD-CB 4.2Å; M184-P243 HydrophobicContact SD-CG 4.17Å; P243-F246 PolarHBondContact O-N 2.81Å; P243-G247 PolarHBondContact O-N 2.83Å; P243-V268 HydrophobicContact CB-CG1 4.14Å; P243-L270 HydrophobicContact CG-CB 4.4Å
244E95Very high90.6Very high126 Ų12674.2 Ų74.259%0.58937%0.369SS*.Hα-helixtrans-68.5-37.4178.2-63.273.2-159.600112.6T242 G247 K248T242-E244 WeakPolarHBondContact CB-OE2 3.49Å; T242-E244 PolarHBondContact O-N 3.36Å; T242-E244 VanDerWaalsContact O-N 3.15Å; E244-G247 PolarHBondContact O-N 2.84Å; E244-K248 VanDerWaalsContact O-CG 3.32Å; E244-K248 WeakPolarHBondContact O-CG 3.08Å; E244-K248 PolarHBondContact O-N 2.87Å
245E94Very high90.6Very high79 Ų7981 Ų8137%0.36940%0.399SS..Hα-helixtrans-66.7-46.9173.8-81.9168.8-179.900111.4L240 Q241 T242 G247 K248L240-E245 HydrophobicContact CB-CB 4.22Å; L240-E245 HydrophobicContact CD2-CB 4.03Å; Q241-E245 PolarHBondContact N-OE2 3.37Å; T242-E245 PolarHBondContact N-OE2 2.88Å; T242-E245 WeakPolarHBondContact O-CB 3.41Å; T242-E245 PolarHBondContact O-N 3.3Å; T242-E245 WeakPolarHBondContact OG1-CB 3.4Å; T242-E245 VanDerWaalsContact OG1-CD 3.26Å; T242-E245 WeakPolarHBondContact OG1-CG 3.39Å; T242-E245 PolarHBondContact OG1-N 2.93Å; T242-E245 PolarHBondContact OG1-OE2 2.84Å; E245-G247 VanDerWaalsContact C-N 3.29Å; E245-G247 PolarHBondContact O-N 2.79Å; E245-K248 WeakPolarHBondContact O-CB 3.37Å; E245-K248 PolarHBondContact O-N 3.4Å; E245-K248 VanDerWaalsContact O-N 3.07Å
246F95.2Very high90.7Very high14 Ų1480 Ų806%0.06140%0.395CS..Hα-helixtrans-60.2-41.4173.9-84-91000111.3M184 I186 N211 L240 T242 P243 K248 I249 L262 V268M184-F246 HydrophobicContact CB-CE2 4.26Å; M184-F246 HydrophobicContact CB-CZ 4.24Å; M184-F246 HydrophobicContact CE-CD2 3.72Å; M184-F246 HydrophobicContact CE-CE2 3.93Å; M184-F246 HydrophobicContact CG-CB 4.33Å; M184-F246 HydrophobicContact CG-CD1 3.9Å; M184-F246 HydrophobicContact CG-CD2 3.66Å; M184-F246 HydrophobicContact CG-CE1 4.04Å; M184-F246 HydrophobicContact CG-CE2 3.8Å; M184-F246 HydrophobicContact CG-CG 3.7Å; M184-F246 HydrophobicContact CG-CZ 3.99Å; M184-F246 HydrophobicContact SD-CB 4.38Å; M184-F246 HydrophobicContact SD-CD2 3.97Å; M184-F246 HydrophobicContact SD-CE2 4.48Å; M184-F246 HydrophobicContact SD-CG 4.21Å; I186-F246 HydrophobicContact CD1-CD1 4.07Å; N211-F246 HydrophobicContact CB-CE1 4.38Å; N211-F246 WeakPolarHBondContact ND2-CZ 3.32Å; L240-F246 HydrophobicContact CB-CD2 3.77Å; L240-F246 HydrophobicContact CB-CE1 4.49Å; L240-F246 HydrophobicContact CB-CE2 3.51Å; L240-F246 HydrophobicContact CB-CG 4.39Å; L240-F246 HydrophobicContact CB-CZ 3.91Å; L240-F246 HydrophobicContact CD1-CD1 4.23Å; L240-F246 HydrophobicContact CD1-CD2 4.49Å; L240-F246 HydrophobicContact CD1-CE1 4.38Å; L240-F246 HydrophobicContact CD1-CG 4.3Å; L240-F246 WeakPolarHBondContact O-CE2 3.36Å; T242-F246 WeakPolarHBondContact O-CD2 3.34Å; T242-F246 PolarHBondContact O-N 3.07Å; T242-F246 VanDerWaalsContact O-N 3.1Å; P243-F246 PolarHBondContact O-N 2.81Å; F246-K248 PolarHBondContact O-N 3.47Å; F246-K248 VanDerWaalsContact O-N 3.11Å; F246-I249 HydrophobicContact CB-CD1 4.43Å; F246-I249 HydrophobicContact CD1-CD1 3.76Å; F246-I249 HydrophobicContact CG-CD1 4.41Å; F246-I249 WeakPolarHBondContact O-CB 3.38Å; F246-I249 WeakPolarHBondContact O-CD1 3.21Å; F246-I249 VanDerWaalsContact O-CG1 3.22Å; F246-I249 WeakPolarHBondContact O-CG1 3.34Å; F246-I249 PolarHBondContact O-N 3.16Å; F246-L262 WeakPolarHBondContact O-CB 3.4Å; F246-L262 WeakPolarHBondContact O-CD2 3.47Å; F246-V268 HydrophobicContact CB-CG1 3.71Å
247G94.2Very high91.1Very high4 Ų478.2 Ų78.24%0.04140%0.395CS..Hα-helixtrans-60.2-20.8176.100000114.4P243 E244 E245 R263P243-G247 PolarHBondContact O-N 2.83Å; E244-G247 PolarHBondContact O-N 2.84Å; E245-G247 VanDerWaalsContact C-N 3.29Å; E245-G247 PolarHBondContact O-N 2.79Å; G247-R263 WeakPolarHBondContact O-CB 3.33Å; G247-R263 WeakPolarHBondContact O-CG 3.37Å; G247-R263 PolarHBondContact O-N 3.38Å; G247-R263 VanDerWaalsContact O-N 3.14Å
248K95.4Very high91.8Very high131 Ų13177 Ų7757%0.5739%0.394SS*.THydrogen-bonded Turntrans-90.40.9176.8-70167.5-174.6172.30113.9E244 E245 F246 L250E244-K248 VanDerWaalsContact O-CG 3.32Å; E244-K248 WeakPolarHBondContact O-CG 3.08Å; E244-K248 PolarHBondContact O-N 2.87Å; E245-K248 WeakPolarHBondContact O-CB 3.37Å; E245-K248 PolarHBondContact O-N 3.4Å; E245-K248 VanDerWaalsContact O-N 3.07Å; F246-K248 PolarHBondContact O-N 3.47Å; F246-K248 VanDerWaalsContact O-N 3.11Å; K248-L250 PolarHBondContact O-N 3.45Å
249I94.7Very high92.4Very high2 Ų278.9 Ų78.91%0.0140%0.397CS..  trans-57.7123.7175-70.7170.2000108.9Q206 I207 L240 F246 L251 L261 L262Q206-I249 HydrophobicContact CB-CG2 4.06Å; I207-I249 HydrophobicContact CG1-CD1 3.95Å; L240-I249 HydrophobicContact CD1-CD1 3.73Å; L240-I249 HydrophobicContact CD1-CG1 3.77Å; F246-I249 HydrophobicContact CB-CD1 4.43Å; F246-I249 HydrophobicContact CD1-CD1 3.76Å; F246-I249 HydrophobicContact CG-CD1 4.41Å; F246-I249 WeakPolarHBondContact O-CB 3.38Å; F246-I249 WeakPolarHBondContact O-CD1 3.21Å; F246-I249 VanDerWaalsContact O-CG1 3.22Å; F246-I249 WeakPolarHBondContact O-CG1 3.34Å; F246-I249 PolarHBondContact O-N 3.16Å; I249-L251 HydrophobicContact CG2-CD2 4.17Å; I249-L251 PolarHBondContact O-N 2.76Å; I249-L261 CarbonylContact O-C 3.57Å; I249-L261 WeakPolarHBondContact O-CA 3.37Å; I249-L262 HydrophobicContact CB-CB 4.04Å; I249-L262 HydrophobicContact CD1-CD2 4.13Å; I249-L262 PolarHBondContact O-N 3.47Å
250L95.4Very high92.6Very high56 Ų5671.2 Ų71.229%0.29337%0.368SS..EExtended strand (participates in β ladder)trans-78.3119.4179.818065.9000109.5Q210 K248 V253 Q259 L261Q210-L250 PolarHBondContact NE2-O 3.28Å; Q210-L250 VanDerWaalsContact OE1-N 3.09Å; K248-L250 PolarHBondContact O-N 3.45Å; L250-V253 HydrophobicContact CD1-CG2 4.4Å; L250-V253 HydrophobicContact CD2-CG2 4.3Å; L250-Q259 HydrophobicContact CD1-CB 3.63Å; L250-Q259 HydrophobicContact CD1-CG 3.84Å; L250-L261 HydrophobicContact CD1-CD2 4.21Å
251L94.6Very high92.7Very high15 Ų1570.3 Ų70.38%0.07936%0.363CS..EExtended strand (participates in β ladder)trans-93.8-45.6179.3-62.7-179.1000112.2L198 V203 Q206 I249 V260 L262 V265L198-L251 HydrophobicContact CD1-CB 4Å; L198-L251 HydrophobicContact CD1-CD1 3.97Å; V203-L251 HydrophobicContact CB-CD2 4.44Å; V203-L251 HydrophobicContact CG1-CD2 4.44Å; V203-L251 HydrophobicContact CG2-CD1 4.04Å; V203-L251 HydrophobicContact CG2-CD2 4.17Å; Q206-L251 HydrophobicContact CB-CD2 3.85Å; Q206-L251 HydrophobicContact CG-CD2 4.13Å; I249-L251 HydrophobicContact CG2-CD2 4.17Å; I249-L251 PolarHBondContact O-N 2.76Å; L251-V260 WeakPolarHBondContact CB-O 3.48Å; L251-V260 PolarHBondContact N-O 3.2Å; L251-L262 HydrophobicContact CD1-CD1 4.24Å; L251-V265 HydrophobicContact CD1-CG2 3.26Å
252K91.4Very high92.9Very high79 Ų7962.9 Ų62.934%0.34333%0.328SS..EExtended strand (participates in β ladder)trans-158.8151.7-175-169.8169.2179.5178.90110.9Y196 N197 L198 V260Y196-K252 PolarHBondContact O-NZ 2.87Å; N197-K252 PolarHBondContact O-NZ 3.3Å; L198-K252 HydrophobicContact CD2-CB 4.22Å; L198-K252 HydrophobicContact CD2-CD 3.92Å; K252-V260 HydrophobicContact CB-CB 4.41Å; K252-V260 PolarHBondContact N-O 2.81Å; K252-V260 PolarHBondContact O-N 2.89Å
253V91.4Very high93Very high83 Ų8367.3 Ų67.350%0.50334%0.339SS..EExtended strand (participates in β ladder)trans-107.9129.3167.7-173.30000108.1L250 S258 Q259L250-V253 HydrophobicContact CD1-CG2 4.4Å; L250-V253 HydrophobicContact CD2-CG2 4.3Å; V253-S258 WeakPolarHBondContact CA-O 3.39Å; V253-Q259 HydrophobicContact CG2-CG 4.34Å
254Q88.9Confident93Very high72 Ų7268.3 Ų68.334%0.33634%0.343SS..  trans-82.2167.5179.6-65.1-138.889.700111.9D256 G257 S258 V260Q254-D256 WeakPolarHBondContact CB-OD1 3.27Å; Q254-D256 PolarHBondContact O-N 3.13Å; Q254-G257 PolarHBondContact O-N 2.74Å; Q254-S258 WeakPolarHBondContact CB-OG 3.37Å; Q254-S258 PolarHBondContact N-O 2.97Å; Q254-S258 PolarHBondContact NE2-OG 3.4Å; Q254-V260 HydrophobicContact CG-CG2 3.97Å
255Q88Confident93Very high210 Ų21062.3 Ų62.398%0.98132%0.315SS*.THydrogen-bonded Turntrans-62.7-26-179.8-70.8-177.3-10.100113.3G257Q255-G257 PolarHBondContact O-N 3.47Å
256D88.3Confident93.1Very high122 Ų12258.9 Ų58.965%0.65230%0.3SS*.THydrogen-bonded Turntrans-82.21.5175.465.7-4.9000113.4Q254 S258Q254-D256 WeakPolarHBondContact CB-OD1 3.27Å; Q254-D256 PolarHBondContact O-N 3.13Å; D256-S258 VanDerWaalsContact C-N 3.3Å; D256-S258 VanDerWaalsContact OD1-CB 3.25Å; D256-S258 WeakPolarHBondContact OD1-CB 3.27Å; D256-S258 PolarHBondContact OD1-N 2.88Å; D256-S258 PolarHBondContact OD1-OG 3.38Å; D256-S258 PolarHBondContact OD2-OG 2.85Å
257G88.3Confident93.1Very high50 Ų5065.2 Ų65.252%0.51532%0.323SS..SBendtrans82.9-1.3-176.500000114.5Q254 Q255Q254-G257 PolarHBondContact O-N 2.74Å; Q255-G257 PolarHBondContact O-N 3.47Å
258S90.2Very high93.2Very high44 Ų4466.2 Ų66.231%0.30833%0.329SS..PPolyproline II helixtrans-68.2141.1175.165.40000111.3V253 Q254 D256V253-S258 WeakPolarHBondContact CA-O 3.39Å; Q254-S258 WeakPolarHBondContact CB-OG 3.37Å; Q254-S258 PolarHBondContact N-O 2.97Å; Q254-S258 PolarHBondContact NE2-OG 3.4Å; D256-S258 VanDerWaalsContact C-N 3.3Å; D256-S258 VanDerWaalsContact OD1-CB 3.25Å; D256-S258 WeakPolarHBondContact OD1-CB 3.27Å; D256-S258 PolarHBondContact OD1-N 2.88Å; D256-S258 PolarHBondContact OD1-OG 3.38Å; D256-S258 PolarHBondContact OD2-OG 2.85Å
259Q93.5Very high93.2Very high122 Ų12262.6 Ų62.657%0.5731%0.314SS*.EExtended strand (participates in β ladder)trans-97.8132.4178.7-66.7-179.3-0.500109.6L250 V253L250-Q259 HydrophobicContact CD1-CB 3.63Å; L250-Q259 HydrophobicContact CD1-CG 3.84Å; V253-Q259 HydrophobicContact CG2-CG 4.34Å
260V94.3Very high93.1Very high2 Ų266.8 Ų66.81%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-96.2117.8172.1-174.50000107.7Y196 L198 L251 K252 Q254 D264 V265Y196-V260 HydrophobicContact CD1-CB 4.47Å; Y196-V260 HydrophobicContact CD1-CG1 4.09Å; Y196-V260 HydrophobicContact CD1-CG2 3.5Å; Y196-V260 HydrophobicContact CD2-CG1 3.95Å; Y196-V260 HydrophobicContact CE1-CG1 4.45Å; Y196-V260 HydrophobicContact CE1-CG2 3.92Å; Y196-V260 HydrophobicContact CE2-CG1 4.35Å; Y196-V260 HydrophobicContact CG-CG1 3.82Å; Y196-V260 HydrophobicContact CG-CG2 4.01Å; L198-V260 HydrophobicContact CD1-CG1 4.04Å; L251-V260 WeakPolarHBondContact CB-O 3.48Å; L251-V260 PolarHBondContact N-O 3.2Å; K252-V260 HydrophobicContact CB-CB 4.41Å; K252-V260 PolarHBondContact N-O 2.81Å; K252-V260 PolarHBondContact O-N 2.89Å; Q254-V260 HydrophobicContact CG-CG2 3.97Å; V260-D264 HydrophobicContact CG1-CB 4.44Å; V260-V265 HydrophobicContact CG1-CG1 4.08Å
261L95.3Very high93Very high23 Ų2364.4 Ų64.412%0.1232%0.324CS..EExtended strand (participates in β ladder)trans-100.9162.6-180-57.8176.2000110.8I249 L250 R263 D264I249-L261 CarbonylContact O-C 3.57Å; I249-L261 WeakPolarHBondContact O-CA 3.37Å; L250-L261 HydrophobicContact CD1-CD2 4.21Å; L261-R263 VanDerWaalsContact C-N 3.27Å; L261-R263 HydrophobicContact CB-CG 4.1Å; L261-R263 PolarHBondContact O-N 3.3Å; L261-D264 PolarHBondContact N-OD2 2.57Å; L261-D264 WeakPolarHBondContact O-CB 3.43Å; L261-D264 PolarHBondContact O-N 2.88Å
262L95.2Very high92.8Very high0 Ų063.7 Ų63.70%032%0.321CS..Hα-helixtrans-57.9-39.8178.4-177.960.8000112.8I186 V203 F246 I249 L251 D264 V265 A266 V268I186-L262 HydrophobicContact CD1-CD2 3.81Å; I186-L262 HydrophobicContact CG1-CD2 4.11Å; I186-L262 HydrophobicContact CG2-CD1 3.8Å; I186-L262 HydrophobicContact CG2-CD2 3.89Å; I186-L262 HydrophobicContact CG2-CG 4.16Å; V203-L262 HydrophobicContact CG1-CD1 3.53Å; F246-L262 WeakPolarHBondContact O-CB 3.4Å; F246-L262 WeakPolarHBondContact O-CD2 3.47Å; I249-L262 HydrophobicContact CB-CB 4.04Å; I249-L262 HydrophobicContact CD1-CD2 4.13Å; I249-L262 PolarHBondContact O-N 3.47Å; L251-L262 HydrophobicContact CD1-CD1 4.24Å; L262-D264 PolarHBondContact O-N 3.27Å; L262-D264 VanDerWaalsContact O-N 3.14Å; L262-V265 HydrophobicContact CD1-CG2 4.23Å; L262-V265 WeakPolarHBondContact O-CG2 3.45Å; L262-V265 PolarHBondContact O-N 3.37Å; L262-V265 VanDerWaalsContact O-N 3.07Å; L262-A266 HydrophobicContact CD1-CB 4Å; L262-A266 HydrophobicContact CG-CB 4.4Å; L262-A266 PolarHBondContact O-N 3.1Å; L262-V268 HydrophobicContact CD2-CG2 3.93Å; L262-V268 HydrophobicContact CG-CG2 4.01Å
263R95.3Very high92.7Very high147 Ų14764.6 Ų64.656%0.55533%0.326SS*.Hα-helixtrans-60.9-21.5176.470-175.3-177.7-170.1-3.4114G247 L261 V265G247-R263 WeakPolarHBondContact O-CB 3.33Å; G247-R263 WeakPolarHBondContact O-CG 3.37Å; G247-R263 PolarHBondContact O-N 3.38Å; G247-R263 VanDerWaalsContact O-N 3.14Å; L261-R263 VanDerWaalsContact C-N 3.27Å; L261-R263 HydrophobicContact CB-CG 4.1Å; L261-R263 PolarHBondContact O-N 3.3Å; R263-V265 VanDerWaalsContact C-N 3.29Å
264D94.3Very high92.5Very high54 Ų5464.2 Ų64.229%0.28932%0.322SS..Hα-helixtrans-79.7-16.9-179.9-56.4-34.3000111.7K192 V260 L261 L262K192-D264 VanDerWaalsContact CD-O 3.31Å; K192-D264 WeakPolarHBondContact CD-O 3.49Å; V260-D264 HydrophobicContact CG1-CB 4.44Å; L261-D264 PolarHBondContact N-OD2 2.57Å; L261-D264 WeakPolarHBondContact O-CB 3.43Å; L261-D264 PolarHBondContact O-N 2.88Å; L262-D264 PolarHBondContact O-N 3.27Å; L262-D264 VanDerWaalsContact O-N 3.14Å
265V95.1Very high92.5Very high0 Ų064.6 Ų64.60%032%0.32CS..Hα-helixtrans-124.4-5.8-177.4-57.60000114.4D189 K192 L193 Y196 L198 L251 V260 L262 R263D189-V265 WeakPolarHBondContact CB-O 3.43Å; D189-V265 PolarHBondContact N-O 2.67Å; K192-V265 HydrophobicContact CB-CB 4.39Å; K192-V265 HydrophobicContact CB-CG1 4.44Å; L193-V265 HydrophobicContact CD2-CB 3.89Å; L193-V265 HydrophobicContact CD2-CG1 4.33Å; L193-V265 HydrophobicContact CD2-CG2 3.91Å; L193-V265 HydrophobicContact CG-CB 4.19Å; Y196-V265 HydrophobicContact CD2-CG1 3.61Å; Y196-V265 HydrophobicContact CE2-CG1 4.11Å; L198-V265 HydrophobicContact CD1-CG1 4.26Å; L251-V265 HydrophobicContact CD1-CG2 3.26Å; V260-V265 HydrophobicContact CG1-CG1 4.08Å; L262-V265 HydrophobicContact CD1-CG2 4.23Å; L262-V265 WeakPolarHBondContact O-CG2 3.45Å; L262-V265 PolarHBondContact O-N 3.37Å; L262-V265 VanDerWaalsContact O-N 3.07Å; R263-V265 VanDerWaalsContact C-N 3.29Å
266A95.7Very high92.5Very high6 Ų656 Ų565%0.0528%0.284CS..EExtended strand (participates in β ladder)trans-148.7150.9-178.200000112.5I186 W187 L188 L262I186-A266 HydrophobicContact CG2-CB 3.71Å; W187-A266 CarbonylContact O-C 3.5Å; W187-A266 WeakPolarHBondContact O-CA 3.39Å; W187-A266 WeakPolarHBondContact O-CB 3.31Å; L188-A266 HydrophobicContact CD2-CB 3.99Å; L262-A266 HydrophobicContact CD1-CB 4Å; L262-A266 HydrophobicContact CG-CB 4.4Å; L262-A266 PolarHBondContact O-N 3.1Å
267R96.6Very high92.6Very high147 Ų14750.9 Ų50.956%0.55526%0.257SS*.EExtended strand (participates in β ladder)trans-82.9122.3163.9-175.9178.687.8-154.70.1108.2W187 E269W187-R267 HydrophobicContact CB-CB 4.2Å; W187-R267 PolarHBondContact N-O 3.41Å; W187-R267 PolarHBondContact O-N 2.86Å; R267-E269 IonicContact CZ-OE1 3.48Å; R267-E269 IonicContact CZ-OE2 2.84Å; R267-E269 IonicContact NE-OE1 3.8Å; R267-E269 PolarHBondContact NE-OE1 3.28Å; R267-E269 IonicContact NE-OE2 3.72Å; R267-E269 PolarHBondContact NE-OE2 3.09Å; R267-E269 IonicContact NH2-OE1 2.8Å; R267-E269 PolarHBondContact NH2-OE1 3.47Å; R267-E269 IonicContact NH2-OE2 3.78Å; R267-E269 PolarHBondContact NH2-OE2 3.29Å
268V95.7Very high92.9Very high26 Ų2649.3 Ų49.316%0.15824%0.237CC..EExtended strand (participates in β ladder)trans-109.5122.5178.1-173.60000108.3M184 R185 I186 P243 F246 L262M184-V268 HydrophobicContact CG-CG1 4.3Å; M184-V268 HydrophobicContact SD-CG1 3.56Å; M184-V268 VanDerWaalsContact SD-CG1 3.56Å; R185-V268 WeakPolarHBondContact O-CA 3.38Å; I186-V268 HydrophobicContact CG1-CG1 4.39Å; I186-V268 HydrophobicContact CG1-CG2 4.42Å; P243-V268 HydrophobicContact CB-CG1 4.14Å; F246-V268 HydrophobicContact CB-CG1 3.71Å; L262-V268 HydrophobicContact CD2-CG2 3.93Å; L262-V268 HydrophobicContact CG-CG2 4.01Å
269E94.4Very high93.1Very high55 Ų5547.2 Ų47.226%0.25722%0.222SC..EExtended strand (participates in β ladder)trans-147.8159178.371.4-165.3175.500110.9R185 W187 R267R185-E269 HydrophobicContact CB-CG 4.22Å; R185-E269 PolarHBondContact N-O 3.29Å; R185-E269 PolarHBondContact O-N 3.3Å; W187-E269 PolarHBondContact NE1-OE1 2.87Å; R267-E269 IonicContact CZ-OE1 3.48Å; R267-E269 IonicContact CZ-OE2 2.84Å; R267-E269 IonicContact NE-OE1 3.8Å; R267-E269 PolarHBondContact NE-OE1 3.28Å; R267-E269 IonicContact NE-OE2 3.72Å; R267-E269 PolarHBondContact NE-OE2 3.09Å; R267-E269 IonicContact NH2-OE1 2.8Å; R267-E269 PolarHBondContact NH2-OE1 3.47Å; R267-E269 IonicContact NH2-OE2 3.78Å; R267-E269 PolarHBondContact NH2-OE2 3.29Å
270L93.1Very high93.3Very high89 Ų8944.4 Ų44.447%0.46621%0.207SC..EExtended strand (participates in β ladder)trans-81.4116.2165.2-15676.9000107.6Y182 M184 P243Y182-L270 HydrophobicContact CD1-CG 4.5Å; Y182-L270 HydrophobicContact CD2-CD2 3.46Å; Y182-L270 VanDerWaalsContact CD2-CD2 3.46Å; Y182-L270 HydrophobicContact CD2-CG 4.07Å; Y182-L270 HydrophobicContact CE2-CD2 3.98Å; Y182-L270 HydrophobicContact CG-CD2 3.87Å; Y182-L270 HydrophobicContact CG-CG 3.94Å; M184-L270 HydrophobicContact CE-CD1 3.95Å; P243-L270 HydrophobicContact CG-CB 4.4Å
271G92.6Very high93.4Very high6 Ų646 Ų466%0.06221%0.213CC..EExtended strand (participates in β ladder)trans-138.7178.3-178.100000110.7Y182 A183 Y275Y182-G271 CarbonylContact C-O 3.51Å; Y182-G271 WeakPolarHBondContact CA-O 3.26Å; Y182-G271 WeakPolarHBondContact CD1-O 3.45Å; A183-G271 PolarHBondContact N-O 3.03Å; A183-G271 PolarHBondContact O-N 3.05Å; A183-G271 VanDerWaalsContact O-N 3.1Å; G271-Y275 WeakPolarHBondContact CA-OH 3.08Å
272A90.9Very high93.3Very high1 Ų147.4 Ų47.41%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-64.7140.4176.100000110.5Y152 S180 R185 D274 Y275Y152-A272 HydrophobicContact CD1-CB 3.61Å; Y152-A272 HydrophobicContact CE1-CB 4.15Å; Y152-A272 HydrophobicContact CG-CB 4.16Å; S180-A272 WeakPolarHBondContact OG-CB 2.99Å; R185-A272 WeakPolarHBondContact CD-O 3.26Å; A272-D274 VanDerWaalsContact C-N 3.3Å; A272-Y275 HydrophobicContact CB-CD1 4.19Å; A272-Y275 HydrophobicContact CB-CD2 4.31Å; A272-Y275 HydrophobicContact CB-CE1 3.86Å; A272-Y275 HydrophobicContact CB-CE2 4Å; A272-Y275 HydrophobicContact CB-CG 4.41Å; A272-Y275 PolarHBondContact N-OH 2.92Å; A272-Y275 VanDerWaalsContact N-OH 3.12Å; A272-Y275 WeakPolarHBondContact O-CE2 3.46Å
273E89.4Confident93.2Very high97 Ų9748.2 Ų48.245%0.45323%0.228SC..SBendtrans-56.3-47.7167.7-174.7-177.2-164.200111.1S180 E181 A183 R185S180-E273 PolarHBondContact OG-N 3.1Å; S180-E273 VanDerWaalsContact OG-N 3.09Å; E181-E273 WeakPolarHBondContact O-CB 3.42Å; E181-E273 PolarHBondContact O-N 2.94Å; A183-E273 HydrophobicContact CB-CB 3.82Å; A183-E273 HydrophobicContact CB-CG 4.2Å; R185-E273 PolarHBondContact NH1-O 2.95Å
274D87.5Confident93.1Very high76 Ų7646.4 Ų46.441%0.40622%0.224SC..  trans-126.6134.4179.7-172.611.7000111.7S180 A272 S276S180-D274 PolarHBondContact OG-N 3.02Å; S180-D274 PolarHBondContact OG-O 3.29Å; A272-D274 VanDerWaalsContact C-N 3.3Å; D274-S276 WeakPolarHBondContact OD1-CB 3.46Å; D274-S276 PolarHBondContact OD1-N 3.13Å; D274-S276 PolarHBondContact OD1-OG 3.08Å; D274-S276 WeakPolarHBondContact OD2-CB 3.4Å; D274-S276 PolarHBondContact OD2-OG 3.39Å
275Y89.4Confident93.1Very high79 Ų7946.1 Ų46.131%0.3123%0.226SC..  trans-109.28.1179-67.5-91.7000112.3Y152 W187 G271 A272 T277Y152-Y275 AromaticContact CE1-CD1 3.8Å; Y152-Y275 HydrophobicContact CE1-CD1 3.8Å; Y152-Y275 HydrophobicContact CE1-CE1 4.06Å; Y152-Y275 HydrophobicContact CE2-CE1 4.23Å; Y152-Y275 AromaticContact CZ-CD1 3.74Å; Y152-Y275 AromaticContact CZ-CE1 3.87Å; W187-Y275 HydrophobicContact CH2-CE2 4.37Å; W187-Y275 HydrophobicContact CZ2-CE2 4.11Å; G271-Y275 WeakPolarHBondContact CA-OH 3.08Å; A272-Y275 HydrophobicContact CB-CD1 4.19Å; A272-Y275 HydrophobicContact CB-CD2 4.31Å; A272-Y275 HydrophobicContact CB-CE1 3.86Å; A272-Y275 HydrophobicContact CB-CE2 4Å; A272-Y275 HydrophobicContact CB-CG 4.41Å; A272-Y275 PolarHBondContact N-OH 2.92Å; A272-Y275 VanDerWaalsContact N-OH 3.12Å; A272-Y275 WeakPolarHBondContact O-CE2 3.46Å; Y275-T277 VanDerWaalsContact C-N 3.26Å; Y275-T277 PolarHBondContact O-N 2.79Å
276S87.1Confident93.2Very high31 Ų3146.1 Ų46.122%0.21723%0.226CC..SBendtrans-68.6-21.5-176.372.10000113.6D274 M582 G612D274-S276 WeakPolarHBondContact OD1-CB 3.46Å; D274-S276 PolarHBondContact OD1-N 3.13Å; D274-S276 PolarHBondContact OD1-OG 3.08Å; D274-S276 WeakPolarHBondContact OD2-CB 3.4Å; D274-S276 PolarHBondContact OD2-OG 3.39Å; S276-M582 WeakPolarHBondContact O-CE 3.49Å; S276-G612 VanDerWaalsContact O-CA 3.31Å; S276-G612 WeakPolarHBondContact O-CA 3.27Å
277T91.1Very high93.2Very high13 Ų1345.9 Ų45.98%0.0822%0.223CC..  trans-119.3135.9-175.1580000113.4Q151 G179 Y275 G611Q151-T277 PolarHBondContact NE2-O 2.93Å; G179-T277 PolarHBondContact N-OG1 3.5Å; Y275-T277 VanDerWaalsContact C-N 3.26Å; Y275-T277 PolarHBondContact O-N 2.79Å; T277-G611 CarbonylContact C-O 3.58Å; T277-G611 VanDerWaalsContact CA-O 3.3Å; T277-G611 WeakPolarHBondContact CA-O 3.5Å
278V94Very high93.1Very high17 Ų1738.9 Ų38.910%0.10320%0.197CC..EExtended strand (participates in β ladder)trans-125.1104.2178179.40000109.4M582 T586 V610 G611V278-M582 HydrophobicContact CB-CG 4.43Å; V278-M582 HydrophobicContact CB-SD 4.05Å; V278-M582 HydrophobicContact CG2-CE 4.35Å; V278-M582 HydrophobicContact CG2-CG 3.62Å; V278-M582 HydrophobicContact CG2-SD 3.82Å; V278-T586 HydrophobicContact CG1-CG2 4.48Å; V278-V610 WeakPolarHBondContact O-CA 3.35Å; V278-G611 PolarHBondContact N-O 3.06Å; V278-G611 PolarHBondContact O-N 2.97Å
279A95.4Very high93.1Very high0 Ų037.6 Ų37.60%019%0.19CC..EExtended strand (participates in β ladder)trans-99.2137.4179.300000112Q151 F178 A286 F608 T609Q151-A279 VanDerWaalsContact NE2-N 3.12Å; F178-A279 HydrophobicContact CB-CB 4.13Å; A279-A286 CarbonylContact C-O 3.54Å; A279-A286 WeakPolarHBondContact CB-O 3.49Å; A279-A286 PolarHBondContact O-N 2.89Å; A279-F608 HydrophobicContact CB-CE2 4.18Å; A279-F608 HydrophobicContact CB-CZ 3.87Å; A279-T609 CarbonylContact C-O 3.6Å; A279-T609 WeakPolarHBondContact CA-O 3.35Å
280R96Very high93.1Very high64 Ų6435 Ų3524%0.24218%0.177CC..EExtended strand (participates in β ladder)trans-141.1143.9176.3-51.4-169.689.883.5-2.5111.1G283 K284 F608 T609R280-G283 PolarHBondContact NE-O 3.5Å; R280-G283 PolarHBondContact NH2-O 3.05Å; R280-K284 CarbonylContact C-O 3.54Å; R280-K284 WeakPolarHBondContact CA-O 3.33Å; R280-K284 VanDerWaalsContact CB-O 3.31Å; R280-K284 WeakPolarHBondContact CB-O 3.25Å; R280-F608 CarbonylContact O-C 3.57Å; R280-F608 WeakPolarHBondContact O-CA 3.29Å; R280-F608 WeakPolarHBondContact O-CD2 3.44Å; R280-T609 PolarHBondContact N-O 3.42Å; R280-T609 PolarHBondContact O-N 3.41Å; R280-T609 PolarHBondContact O-OG1 2.83Å
281Y96.3Very high93.1Very high36 Ų3630.8 Ų30.814%0.14116%0.155CC..EExtended strand (participates in β ladder)trans-116.6118.7173.8178.4-97.7000109.4I143 G283 K284 V324 P326 S606 F608I143-Y281 HydrophobicContact CD1-CD1 4.18Å; I143-Y281 HydrophobicContact CD1-CE1 4.33Å; I143-Y281 HydrophobicContact CG2-CD1 3.89Å; I143-Y281 HydrophobicContact CG2-CG 4.01Å; Y281-G283 PolarHBondContact O-N 3.32Å; Y281-G283 VanDerWaalsContact O-N 3.14Å; Y281-K284 PolarHBondContact N-O 3.32Å; Y281-K284 WeakPolarHBondContact O-CB 3.41Å; Y281-K284 PolarHBondContact O-N 3.11Å; Y281-V324 HydrophobicContact CD1-CG2 4.23Å; Y281-V324 HydrophobicContact CD2-CG2 3.96Å; Y281-V324 HydrophobicContact CE1-CG2 4.1Å; Y281-V324 HydrophobicContact CE2-CB 4.45Å; Y281-V324 HydrophobicContact CE2-CG2 3.83Å; Y281-V324 HydrophobicContact CG-CG2 4.15Å; Y281-P326 HydrophobicContact CD2-CB 4.07Å; Y281-P326 HydrophobicContact CD2-CG 4.47Å; Y281-P326 HydrophobicContact CE2-CB 3.91Å; Y281-S606 VanDerWaalsContact OH-CB 3.24Å; Y281-S606 WeakPolarHBondContact OH-CB 2.94Å; Y281-F608 HydrophobicContact CD2-CB 4.29Å; Y281-F608 HydrophobicContact CD2-CD2 4.33Å
282N95.3Very high93Very high52 Ų5232.5 Ų32.528%0.27816%0.161SC..THydrogen-bonded Turntrans4741.3-174.3-65.7-16.6000112.6K284 L597 S606 V607N282-K284 VanDerWaalsContact C-N 3.27Å; N282-K284 PolarHBondContact O-N 2.76Å; N282-L597 HydrophobicContact CB-CD1 3.87Å; N282-S606 WeakPolarHBondContact OD1-CA 3.45Å; N282-V607 PolarHBondContact N-O 3.26Å; N282-V607 PolarHBondContact OD1-N 3.26Å; N282-V607 PolarHBondContact OD1-O 2.94Å
283G92.4Very high92.8Very high16 Ų1633.1 Ų33.117%0.16516%0.164CC..THydrogen-bonded Turntrans80.1-12.1-177.900000116.1R280 Y281R280-G283 PolarHBondContact NE-O 3.5Å; R280-G283 PolarHBondContact NH2-O 3.05Å; Y281-G283 PolarHBondContact O-N 3.32Å; Y281-G283 VanDerWaalsContact O-N 3.14Å
284K93.3Very high92.5Very high109 Ų10929.7 Ų29.747%0.47415%0.153SC..EExtended strand (participates in β ladder)trans-82.4147.2176.6-61.8-176-179.9-175.80111.3R280 Y281 N282 A286R280-K284 CarbonylContact C-O 3.54Å; R280-K284 WeakPolarHBondContact CA-O 3.33Å; R280-K284 VanDerWaalsContact CB-O 3.31Å; R280-K284 WeakPolarHBondContact CB-O 3.25Å; Y281-K284 PolarHBondContact N-O 3.32Å; Y281-K284 WeakPolarHBondContact O-CB 3.41Å; Y281-K284 PolarHBondContact O-N 3.11Å; N282-K284 VanDerWaalsContact C-N 3.27Å; N282-K284 PolarHBondContact O-N 2.76Å; K284-A286 PolarHBondContact O-N 3.49Å
285P94.5Very high92.1Very high49 Ų4927.8 Ų27.832%0.31814%0.143SC..EExtended strand (participates in β ladder)trans-53.6133.5170.9-2232.5000111Q151Q151-P285 HydrophobicContact CB-CB 4.26Å
286A95.7Very high91.4Very high0 Ų026.8 Ų26.80%016%0.157CC..EExtended strand (participates in β ladder)trans-148159.5-179.700000109.7F142 I143 Q151 A279 K284 F608F142-A286 VanDerWaalsContact O-CA 3.25Å; F142-A286 WeakPolarHBondContact O-CA 3.46Å; F142-A286 WeakPolarHBondContact O-CB 3.34Å; I143-A286 HydrophobicContact CG2-CB 3.89Å; Q151-A286 WeakPolarHBondContact CG-O 3.42Å; A279-A286 CarbonylContact C-O 3.54Å; A279-A286 WeakPolarHBondContact CB-O 3.49Å; A279-A286 PolarHBondContact O-N 2.89Å; K284-A286 PolarHBondContact O-N 3.49Å; A286-F608 HydrophobicContact CB-CE2 4.13Å
287A95.6Very high91.2Very high0 Ų026.7 Ų26.70%016%0.158CC..EExtended strand (participates in β ladder)trans-113.2157.8155.600000108.2A141 F142 I154 A155 V158A141-A287 CarbonylContact C-O 3.58Å; A141-A287 WeakPolarHBondContact CA-O 3.41Å; F142-A287 PolarHBondContact N-O 3.35Å; F142-A287 PolarHBondContact O-N 2.84Å; I154-A287 HydrophobicContact CB-CB 4.3Å; I154-A287 HydrophobicContact CG2-CB 3.73Å; A155-A287 HydrophobicContact CB-CB 3.86Å; V158-A287 HydrophobicContact CG2-CB 4.47Å
288G94.8Very high90.8Very high0 Ų027 Ų270%016%0.16CC..EExtended strand (participates in β ladder)trans-138.9152.2174.700000111.5A140 F178A140-G288 CarbonylContact O-C 3.53Å; A140-G288 VanDerWaalsContact O-CA 3.3Å; A140-G288 WeakPolarHBondContact O-CA 3.32Å; F178-G288 WeakPolarHBondContact CB-O 3.11Å; F178-G288 PolarHBondContact N-O 3.49Å
289I95.7Very high90.5Very high0 Ų026.8 Ų26.80%016%0.159CC..EExtended strand (participates in β ladder)trans-120.6115.8171-162169.7000108.3V139 A140 F142 K163 L166 V175 Q176 I291V139-I289 WeakPolarHBondContact CA-O 3.45Å; A140-I289 HydrophobicContact CB-CG2 4.05Å; A140-I289 PolarHBondContact N-O 3.17Å; A140-I289 PolarHBondContact O-N 3.31Å; F142-I289 HydrophobicContact CE2-CG2 4.01Å; K163-I289 HydrophobicContact CB-CD1 4.15Å; K163-I289 HydrophobicContact CG-CD1 4.13Å; L166-I289 HydrophobicContact CD1-CD1 4.18Å; L166-I289 HydrophobicContact CD1-CG2 3.87Å; V175-I289 HydrophobicContact CB-CD1 3.76Å; V175-I289 HydrophobicContact CB-CG1 3.89Å; V175-I289 HydrophobicContact CG1-CD1 4.24Å; V175-I289 HydrophobicContact CG2-CD1 3.94Å; V175-I289 HydrophobicContact CG2-CG1 4.48Å; Q176-I289 CarbonylContact O-C 3.55Å; Q176-I289 WeakPolarHBondContact O-CA 3.41Å; I289-I291 HydrophobicContact CG2-CD1 4.14Å
290A94.5Very high90.1Very high0 Ų027.6 Ų27.60%016%0.164CC..EExtended strand (participates in β ladder)trans-81.412517100000108.6I136 V139 V175 Q176 F178I136-A290 HydrophobicContact CD1-CB 3.94Å; I136-A290 HydrophobicContact CG1-CB 4.23Å; I136-A290 HydrophobicContact CG2-CB 3.94Å; V139-A290 HydrophobicContact CG2-CB 4.1Å; V175-A290 CarbonylContact C-O 3.5Å; V175-A290 WeakPolarHBondContact CA-O 3.26Å; Q176-A290 HydrophobicContact CB-CB 4.33Å; Q176-A290 PolarHBondContact N-O 3.31Å; Q176-A290 PolarHBondContact O-N 3.17Å; F178-A290 HydrophobicContact CE2-CB 3.69Å; F178-A290 HydrophobicContact CZ-CB 3.65Å
291I94.3Very high89.8Confident0 Ų028.4 Ų28.40%017%0.173CC..EExtended strand (participates in β ladder)trans-105.5121.6179.3-63.3124000107.7L137 M138 A140 V172 V175 I289 V306L137-I291 WeakPolarHBondContact CB-O 3.35Å; L137-I291 PolarHBondContact N-O 3.4Å; M138-I291 HydrophobicContact CG-CB 4.15Å; M138-I291 HydrophobicContact CG-CD1 3.74Å; M138-I291 PolarHBondContact N-O 3.32Å; M138-I291 PolarHBondContact O-N 2.98Å; M138-I291 HydrophobicContact SD-CD1 4.11Å; A140-I291 HydrophobicContact CB-CD1 4.36Å; V172-I291 HydrophobicContact CB-CG2 4.46Å; V172-I291 HydrophobicContact CG1-CG2 4.03Å; V172-I291 HydrophobicContact CG2-CG2 3.86Å; V175-I291 HydrophobicContact CG1-CG1 4.23Å; I289-I291 HydrophobicContact CG2-CD1 4.14Å; I291-V306 HydrophobicContact CD1-CG1 3.94Å; I291-V306 HydrophobicContact CG2-CG2 4.49Å
292K90.3Very high89.6Confident42 Ų4226.9 Ų26.918%0.18317%0.167CC..EExtended strand (participates in β ladder)trans-97.1140.8172.1-56.8-169.5-177175.50109.5S133 G173 S174S133-K292 WeakPolarHBondContact O-CD 3.46Å; G173-K292 PolarHBondContact N-O 3.4Å; S174-K292 PolarHBondContact O-N 3.37Å
293L86.7Confident89.5Confident14 Ų1424.6 Ų24.67%0.07316%0.155CC..EExtended strand (participates in β ladder)trans-71.3138.9179.2-17066.6000109.4L137 A297 A299 T302L137-L293 HydrophobicContact CB-CB 4.41Å; L137-L293 HydrophobicContact CD2-CD1 4.11Å; L293-A297 HydrophobicContact CD1-CB 3.71Å; L293-A297 WeakPolarHBondContact CD2-O 3.3Å; L293-A297 HydrophobicContact CG-CB 4.05Å; L293-A299 HydrophobicContact CD2-CB 4.24Å; L293-T302 HydrophobicContact CD1-CG2 4.07Å; L293-T302 WeakPolarHBondContact CD1-OG1 3.41Å
294A83.5Confident89.6Confident26 Ų2630.1 Ų30.122%0.21517%0.171CC..EExtended strand (participates in β ladder)trans-67.3146.5169.700000110G171 G296 A297G171-A294 WeakPolarHBondContact O-CB 3.37Å; G171-A294 PolarHBondContact O-N 3.23Å; A294-G296 PolarHBondContact O-N 3.06Å; A294-G296 VanDerWaalsContact O-N 3.08Å; A294-A297 HydrophobicContact CB-CB 4Å; A294-A297 WeakPolarHBondContact O-CB 3.48Å; A294-A297 PolarHBondContact O-N 2.92Å
295T78.2Confident89.7Confident35 Ų3526.2 Ų26.222%0.21516%0.159CC..THydrogen-bonded Turntrans-54.3117.2175.4-58.30000110.2P100 K131P100-T295 HydrophobicContact CB-CG2 3.99Å; P100-T295 HydrophobicContact CG-CG2 3.59Å; K131-T295 PolarHBondContact O-N 3.41Å; K131-T295 PolarHBondContact O-OG1 3.36Å
296G75.4Confident89.8Confident58 Ų5823.9 Ų23.960%0.59814%0.144SC*.THydrogen-bonded Turntrans84.90.9179.300000115.6A294A294-G296 PolarHBondContact O-N 3.06Å; A294-G296 VanDerWaalsContact O-N 3.08Å
297A81.6Confident89.8Confident29 Ų2926.6 Ų26.624%0.2416%0.156CC..  trans-76.2157.9176.100000112.3L293 A294L293-A297 HydrophobicContact CD1-CB 3.71Å; L293-A297 WeakPolarHBondContact CD2-O 3.3Å; L293-A297 HydrophobicContact CG-CB 4.05Å; A294-A297 HydrophobicContact CB-CB 4Å; A294-A297 WeakPolarHBondContact O-CB 3.48Å; A294-A297 PolarHBondContact O-N 2.92Å
298N84.2Confident89.9Confident21 Ų2132.1 Ų32.111%0.11218%0.182CC..  trans-85.6122.1177.5-174.2-74.4000111V32 L300 D301 T302V32-N298 VanDerWaalsContact C-ND2 3.32Å; V32-N298 PolarHBondContact N-ND2 3.35Å; V32-N298 PolarHBondContact O-ND2 3.47Å; V32-N298 PolarHBondContact O-OD1 2.82Å; N298-L300 PolarHBondContact O-N 2.92Å; N298-L300 WeakPolarHBondContact OD1-CA 3.42Å; N298-L300 WeakPolarHBondContact OD1-CB 3.45Å; N298-L300 PolarHBondContact OD1-N 2.86Å; N298-D301 HydrophobicContact CB-CB 4.02Å; N298-D301 WeakPolarHBondContact CB-OD2 3.37Å; N298-D301 VanDerWaalsContact CG-OD2 3.29Å; N298-D301 PolarHBondContact OD1-N 2.85Å; N298-D301 PolarHBondContact OD1-OD2 2.82Å; N298-T302 WeakPolarHBondContact O-CB 3.38Å; N298-T302 PolarHBondContact O-N 2.53Å; N298-T302 PolarHBondContact O-OG1 2.92Å
299A86Confident89.9Confident11 Ų1134 Ų349%0.09119%0.191CC..Hα-helixtrans-60.7-42-178.100000113.6L137 L293 S303 I333L137-A299 HydrophobicContact CD1-CB 3.69Å; L293-A299 HydrophobicContact CD2-CB 4.24Å; A299-S303 WeakPolarHBondContact O-CB 3.24Å; A299-S303 PolarHBondContact O-N 2.89Å; A299-I333 HydrophobicContact CB-CD1 3.76Å
300L88.7Confident89.9Confident18 Ų1834 Ų349%0.09419%0.191CC..Hα-helixtrans-71.8-45.1-178.5-73167.6000111.9V32 N298 S303 R304 T330 I333 E334V32-L300 HydrophobicContact CB-CD1 3.85Å; V32-L300 HydrophobicContact CG1-CD1 3.48Å; V32-L300 VanDerWaalsContact CG1-CD1 3.48Å; N298-L300 PolarHBondContact O-N 2.92Å; N298-L300 WeakPolarHBondContact OD1-CA 3.42Å; N298-L300 WeakPolarHBondContact OD1-CB 3.45Å; N298-L300 PolarHBondContact OD1-N 2.86Å; L300-S303 PolarHBondContact O-N 3.16Å; L300-R304 WeakPolarHBondContact O-CB 3.36Å; L300-R304 PolarHBondContact O-N 3Å; L300-T330 HydrophobicContact CD2-CG2 4.42Å; L300-I333 HydrophobicContact CD1-CG2 3.87Å; L300-I333 HydrophobicContact CD2-CB 4.36Å; L300-I333 HydrophobicContact CG-CB 4.46Å; L300-I333 HydrophobicContact CG-CG2 4.19Å; L300-E334 HydrophobicContact CD2-CG 3.46Å; L300-E334 VanDerWaalsContact CD2-CG 3.46Å
301D89.5Confident89.9Confident81 Ų8138.9 Ų38.943%0.43322%0.217SC..Hα-helixtrans-67.1-39.4178.1-62.2-37.6000111.1N298 R304 A305N298-D301 HydrophobicContact CB-CB 4.02Å; N298-D301 WeakPolarHBondContact CB-OD2 3.37Å; N298-D301 VanDerWaalsContact CG-OD2 3.29Å; N298-D301 PolarHBondContact OD1-N 2.85Å; N298-D301 PolarHBondContact OD1-OD2 2.82Å; D301-R304 PolarHBondContact O-N 2.82Å; D301-R304 IonicContact OD1-NH1 3.31Å; D301-A305 VanDerWaalsContact O-CB 3.29Å; D301-A305 WeakPolarHBondContact O-CB 3.22Å; D301-A305 PolarHBondContact O-N 3.18Å
302T91.6Very high90Very high3 Ų345.2 Ų45.22%0.01824%0.241CC..Hα-helixtrans-64.4-45.8175.7-53.90000110.8L137 G171 V172 L293 N298 R304 A305 V306L137-T302 HydrophobicContact CD2-CG2 3.82Å; G171-T302 VanDerWaalsContact C-CG2 3.49Å; G171-T302 WeakPolarHBondContact CA-OG1 3.3Å; V172-T302 HydrophobicContact CG2-CG2 3.97Å; L293-T302 HydrophobicContact CD1-CG2 4.07Å; L293-T302 WeakPolarHBondContact CD1-OG1 3.41Å; N298-T302 WeakPolarHBondContact O-CB 3.38Å; N298-T302 PolarHBondContact O-N 2.53Å; N298-T302 PolarHBondContact O-OG1 2.92Å; T302-R304 VanDerWaalsContact C-N 3.34Å; T302-R304 PolarHBondContact O-N 3.32Å; T302-A305 PolarHBondContact O-N 2.79Å; T302-V306 HydrophobicContact CG2-CG2 4.31Å; T302-V306 WeakPolarHBondContact O-CB 3.5Å; T302-V306 VanDerWaalsContact O-CG2 3.26Å; T302-V306 WeakPolarHBondContact O-CG2 3.31Å; T302-V306 PolarHBondContact O-N 3.4Å
303S93.5Very high90.2Very high4 Ų444 Ų443%0.02824%0.236CC..Hα-helixtrans-58.9-44.5175.5171.20000112.1M138 A299 L300 V306 K307 T330M138-S303 VanDerWaalsContact CE-CB 3.41Å; M138-S303 WeakPolarHBondContact CE-OG 3.34Å; A299-S303 WeakPolarHBondContact O-CB 3.24Å; A299-S303 PolarHBondContact O-N 2.89Å; L300-S303 PolarHBondContact O-N 3.16Å; S303-V306 PolarHBondContact O-N 3.41Å; S303-K307 WeakPolarHBondContact O-CB 3.33Å; S303-K307 VanDerWaalsContact O-CG 3.27Å; S303-K307 WeakPolarHBondContact O-CG 3.36Å; S303-K307 PolarHBondContact O-N 3.28Å; S303-K307 PolarHBondContact OG-NZ 2.93Å; S303-T330 WeakPolarHBondContact OG-CG2 3.41Å; S303-T330 PolarHBondContact OG-OG1 3.29Å; S303-T330 VanDerWaalsContact OG-OG1 3.08Å
304R94.6Very high90.4Very high132 Ų13246 Ų4650%0.49825%0.251SS..Hα-helixtrans-61.8-49.4175.6-171.2-176.5-59.9138.26.4111.1L300 D301 T302 V306 K307 E308L300-R304 WeakPolarHBondContact O-CB 3.36Å; L300-R304 PolarHBondContact O-N 3Å; D301-R304 PolarHBondContact O-N 2.82Å; D301-R304 IonicContact OD1-NH1 3.31Å; T302-R304 VanDerWaalsContact C-N 3.34Å; T302-R304 PolarHBondContact O-N 3.32Å; R304-V306 PolarHBondContact O-N 2.89Å; R304-K307 PolarHBondContact O-N 2.95Å; R304-E308 HydrophobicContact CG-CG 4.41Å; R304-E308 WeakPolarHBondContact CG-OE1 3.46Å; R304-E308 WeakPolarHBondContact O-CB 3.39Å; R304-E308 VanDerWaalsContact O-CG 3.3Å; R304-E308 WeakPolarHBondContact O-CG 3.42Å; R304-E308 PolarHBondContact O-N 2.88Å
305A95.7Very high90.8Very high28 Ų2848.7 Ų48.723%0.23127%0.273CS..Hα-helixtrans-61.4-41.9179.800000112.2T169 D301 T302 E308 E309T169-A305 HydrophobicContact CG2-CB 3.57Å; D301-A305 VanDerWaalsContact O-CB 3.29Å; D301-A305 WeakPolarHBondContact O-CB 3.22Å; D301-A305 PolarHBondContact O-N 3.18Å; T302-A305 PolarHBondContact O-N 2.79Å; A305-E308 PolarHBondContact O-N 2.98Å; A305-E309 WeakPolarHBondContact O-CB 3.41Å; A305-E309 PolarHBondContact O-N 3.08Å
306V96.1Very high91.6Very high0 Ų054.8 Ų54.80%029%0.293CS..Hα-helixtrans-64.2-46.5175.81670000111.2M138 L166 T169 V172 I291 T302 S303 R304 E309 L310M138-V306 HydrophobicContact SD-CB 4.31Å; M138-V306 HydrophobicContact SD-CG1 3.73Å; L166-V306 HydrophobicContact CD2-CG1 3.93Å; T169-V306 HydrophobicContact CG2-CG2 4.04Å; V172-V306 HydrophobicContact CG2-CG2 3.65Å; I291-V306 HydrophobicContact CD1-CG1 3.94Å; I291-V306 HydrophobicContact CG2-CG2 4.49Å; T302-V306 HydrophobicContact CG2-CG2 4.31Å; T302-V306 WeakPolarHBondContact O-CB 3.5Å; T302-V306 VanDerWaalsContact O-CG2 3.26Å; T302-V306 WeakPolarHBondContact O-CG2 3.31Å; T302-V306 PolarHBondContact O-N 3.4Å; S303-V306 PolarHBondContact O-N 3.41Å; R304-V306 PolarHBondContact O-N 2.89Å; V306-E309 PolarHBondContact O-N 3.04Å; V306-L310 HydrophobicContact CG1-CD1 3.9Å; V306-L310 WeakPolarHBondContact O-CB 3.49Å; V306-L310 WeakPolarHBondContact O-CG 3.27Å; V306-L310 PolarHBondContact O-N 3.1Å
307K96.1Very high92.4Very high56 Ų5653.2 Ų53.224%0.24327%0.27CS..Hα-helixtrans-64.2-40.1177.5-73.5172.4-179167.80111.7S303 R304 N311 Y325 D328S303-K307 WeakPolarHBondContact O-CB 3.33Å; S303-K307 VanDerWaalsContact O-CG 3.27Å; S303-K307 WeakPolarHBondContact O-CG 3.36Å; S303-K307 PolarHBondContact O-N 3.28Å; S303-K307 PolarHBondContact OG-NZ 2.93Å; R304-K307 PolarHBondContact O-N 2.95Å; K307-N311 VanDerWaalsContact O-CB 3.3Å; K307-N311 WeakPolarHBondContact O-CB 3.46Å; K307-N311 PolarHBondContact O-N 2.92Å; K307-N311 PolarHBondContact O-ND2 3.49Å; K307-Y325 HydrophobicContact CG-CE1 4.02Å; K307-D328 WeakPolarHBondContact CE-OD2 3.23Å; K307-D328 IonicContact NZ-OD2 3Å; K307-D328 PolarHBondContact NZ-OD2 3.31Å
308E96.3Very high92.8Very high117 Ų11754 Ų5455%0.54727%0.273SS..Hα-helixtrans-63.4-45175.1-77.6175.7-176.100111.7R304 A305 N311 R312R304-E308 HydrophobicContact CG-CG 4.41Å; R304-E308 WeakPolarHBondContact CG-OE1 3.46Å; R304-E308 WeakPolarHBondContact O-CB 3.39Å; R304-E308 VanDerWaalsContact O-CG 3.3Å; R304-E308 WeakPolarHBondContact O-CG 3.42Å; R304-E308 PolarHBondContact O-N 2.88Å; A305-E308 PolarHBondContact O-N 2.98Å; E308-N311 PolarHBondContact O-N 3.38Å; E308-R312 WeakPolarHBondContact O-CB 3.44Å; E308-R312 PolarHBondContact O-N 3.27Å
309E95.7Very high92.9Very high39 Ų3958.8 Ų58.818%0.18232%0.315CS..Hα-helixtrans-66.2-41.7177.8-174.961.8-174.800111.5P165 L166 A305 V306 N311 R312 L313P165-E309 HydrophobicContact CB-CG 4.44Å; P165-E309 WeakPolarHBondContact CB-OE1 3.47Å; L166-E309 HydrophobicContact CD2-CG 4.43Å; A305-E309 WeakPolarHBondContact O-CB 3.41Å; A305-E309 PolarHBondContact O-N 3.08Å; V306-E309 PolarHBondContact O-N 3.04Å; E309-N311 VanDerWaalsContact C-N 3.34Å; E309-N311 PolarHBondContact O-N 3Å; E309-R312 WeakPolarHBondContact O-CB 3.2Å; E309-R312 PolarHBondContact O-N 3.15Å; E309-R312 IonicContact OE1-CZ 3.6Å; E309-R312 IonicContact OE1-NE 3.72Å; E309-R312 PolarHBondContact OE1-NE 3.37Å; E309-R312 IonicContact OE1-NH2 2.9Å; E309-R312 PolarHBondContact OE1-NH2 3.34Å; E309-R312 IonicContact OE2-CZ 3.57Å; E309-R312 IonicContact OE2-NE 3.43Å; E309-R312 PolarHBondContact OE2-NE 3.22Å; E309-R312 IonicContact OE2-NH2 2.76Å; E309-L313 HydrophobicContact CG-CD1 4.24Å; E309-L313 WeakPolarHBondContact O-CB 3.2Å; E309-L313 VanDerWaalsContact O-CG 3.28Å; E309-L313 WeakPolarHBondContact O-CG 3.3Å; E309-L313 PolarHBondContact O-N 2.85Å
310L94.9Very high93.1Very high1 Ų158.8 Ų58.81%0.00532%0.315CS..Hα-helixtrans-62.1-40.2172.8-75.8170000112.3A140 F142 I162 L166 V306 L313 S314 T323 Y325A140-L310 HydrophobicContact CB-CD1 3.85Å; F142-L310 HydrophobicContact CE1-CD2 3.99Å; F142-L310 HydrophobicContact CZ-CD2 3.82Å; I162-L310 HydrophobicContact CG2-CD2 3.68Å; L166-L310 HydrophobicContact CD1-CD2 4.05Å; L166-L310 HydrophobicContact CD1-CG 4.48Å; L166-L310 HydrophobicContact CD2-CD2 4.32Å; L166-L310 HydrophobicContact CD2-CG 4.07Å; L166-L310 HydrophobicContact CG-CD2 4.45Å; V306-L310 HydrophobicContact CG1-CD1 3.9Å; V306-L310 WeakPolarHBondContact O-CB 3.49Å; V306-L310 WeakPolarHBondContact O-CG 3.27Å; V306-L310 PolarHBondContact O-N 3.1Å; L310-L313 PolarHBondContact O-N 3.3Å; L310-S314 WeakPolarHBondContact O-CB 3.47Å; L310-S314 PolarHBondContact O-N 3.31Å; L310-T323 HydrophobicContact CD1-CG2 4.15Å; L310-Y325 HydrophobicContact CD1-CE1 3.91Å
311N95.4Very high93.3Very high102 Ų10258.6 Ų58.655%0.54531%0.314SS..Hα-helixtrans-64.7-40.9175.1-73.8-22.6000111.1K307 E308 E309 S314K307-N311 VanDerWaalsContact O-CB 3.3Å; K307-N311 WeakPolarHBondContact O-CB 3.46Å; K307-N311 PolarHBondContact O-N 2.92Å; K307-N311 PolarHBondContact O-ND2 3.49Å; E308-N311 PolarHBondContact O-N 3.38Å; E309-N311 VanDerWaalsContact C-N 3.34Å; E309-N311 PolarHBondContact O-N 3Å; N311-S314 WeakPolarHBondContact O-CB 3.36Å; N311-S314 PolarHBondContact O-N 3.45Å; N311-S314 PolarHBondContact O-OG 3.31Å
312R95.5Very high93.5Very high132 Ų13259.9 Ų59.950%0.49832%0.315SS..Hα-helixtrans-61.6-44.4174.6-170-173.974.581.40.7111.5E308 E309 S314E308-R312 WeakPolarHBondContact O-CB 3.44Å; E308-R312 PolarHBondContact O-N 3.27Å; E309-R312 WeakPolarHBondContact O-CB 3.2Å; E309-R312 PolarHBondContact O-N 3.15Å; E309-R312 IonicContact OE1-CZ 3.6Å; E309-R312 IonicContact OE1-NE 3.72Å; E309-R312 PolarHBondContact OE1-NE 3.37Å; E309-R312 IonicContact OE1-NH2 2.9Å; E309-R312 PolarHBondContact OE1-NH2 3.34Å; E309-R312 IonicContact OE2-CZ 3.57Å; E309-R312 IonicContact OE2-NE 3.43Å; E309-R312 PolarHBondContact OE2-NE 3.22Å; E309-R312 IonicContact OE2-NH2 2.76Å; R312-S314 VanDerWaalsContact C-N 3.33Å
313L94.2Very high93.7Very high18 Ų1860.9 Ų60.99%0.09432%0.321CS..Hα-helixtrans-70.7-28.3178.8-67.4173000112.6I162 P165 E309 L310 A315 Y316 F317I162-L313 HydrophobicContact CG1-CD1 4.46Å; I162-L313 HydrophobicContact CG2-CD1 4.3Å; P165-L313 HydrophobicContact CB-CD1 4.09Å; P165-L313 HydrophobicContact CG-CD1 4.36Å; E309-L313 HydrophobicContact CG-CD1 4.24Å; E309-L313 WeakPolarHBondContact O-CB 3.2Å; E309-L313 VanDerWaalsContact O-CG 3.28Å; E309-L313 WeakPolarHBondContact O-CG 3.3Å; E309-L313 PolarHBondContact O-N 2.85Å; L310-L313 PolarHBondContact O-N 3.3Å; L313-A315 PolarHBondContact O-N 2.8Å; L313-A315 VanDerWaalsContact O-N 3.07Å; L313-Y316 PolarHBondContact O-N 3Å; L313-F317 HydrophobicContact CB-CE1 3.93Å; L313-F317 HydrophobicContact CB-CZ 4.47Å; L313-F317 WeakPolarHBondContact O-CD1 3.46Å; L313-F317 WeakPolarHBondContact O-CE1 3.45Å
314S92.2Very high93.8Very high54 Ų5461.6 Ų61.638%0.37833%0.326SS..Hα-helixtrans-58.1-25.4-178.576.20000113.9L310 N311 R312 Y316 F317L310-S314 WeakPolarHBondContact O-CB 3.47Å; L310-S314 PolarHBondContact O-N 3.31Å; N311-S314 WeakPolarHBondContact O-CB 3.36Å; N311-S314 PolarHBondContact O-N 3.45Å; N311-S314 PolarHBondContact O-OG 3.31Å; R312-S314 VanDerWaalsContact C-N 3.33Å; S314-Y316 PolarHBondContact O-N 3.41Å; S314-F317 WeakPolarHBondContact O-CB 3.44Å; S314-F317 PolarHBondContact O-N 3.02Å
315A92.1Very high93.8Very high83 Ų8358.5 Ų58.569%0.68632%0.315SS*.THydrogen-bonded Turntrans-64.5-21.1174.800000113.7L313L313-A315 PolarHBondContact O-N 2.8Å; L313-A315 VanDerWaalsContact O-N 3.07Å
316Y93.8Very high93.7Very high163 Ų16357.2 Ų57.264%0.63930%0.304SS*.THydrogen-bonded Turntrans-103.41.9-179.6-55.7-74.9000113Y157 L313 S314Y157-Y316 VanDerWaalsContact OH-C 3.31Å; Y157-Y316 PolarHBondContact OH-O 2.82Å; L313-Y316 PolarHBondContact O-N 3Å; S314-Y316 PolarHBondContact O-N 3.41Å
317F92.2Very high93.6Very high26 Ų2657.3 Ų57.311%0.11430%0.304CS..SBendtrans-67.5149.3-178.4-73.25.5000111.3F142 Y157 I162 L313 S314 A319 L321 T323F142-F317 HydrophobicContact CD1-CE2 4.44Å; F142-F317 HydrophobicContact CE1-CE2 4.38Å; F142-F317 HydrophobicContact CE1-CZ 4.15Å; Y157-F317 AromaticContact CE1-CD1 3.61Å; Y157-F317 HydrophobicContact CE1-CD1 3.61Å; Y157-F317 AromaticContact CE1-CE1 3.95Å; Y157-F317 HydrophobicContact CE1-CE1 3.95Å; Y157-F317 HydrophobicContact CE1-CG 4.35Å; Y157-F317 WeakPolarHBondContact OH-CA 3.41Å; I162-F317 HydrophobicContact CD1-CE1 3.59Å; I162-F317 HydrophobicContact CD1-CZ 3.62Å; I162-F317 HydrophobicContact CG1-CE1 4.17Å; L313-F317 HydrophobicContact CB-CE1 3.93Å; L313-F317 HydrophobicContact CB-CZ 4.47Å; L313-F317 WeakPolarHBondContact O-CD1 3.46Å; L313-F317 WeakPolarHBondContact O-CE1 3.45Å; S314-F317 WeakPolarHBondContact O-CB 3.44Å; S314-F317 PolarHBondContact O-N 3.02Å; F317-A319 PolarHBondContact O-N 3.3Å; F317-L321 HydrophobicContact CB-CB 4.3Å; F317-L321 HydrophobicContact CB-CD2 4.49Å; F317-L321 HydrophobicContact CD2-CB 4.45Å; F317-L321 HydrophobicContact CD2-CD2 4.14Å; F317-L321 HydrophobicContact CD2-CG 4.31Å; F317-L321 HydrophobicContact CG-CD2 4.16Å; F317-T323 WeakPolarHBondContact CE2-OG1 3.26Å
318P91.4Very high93.4Very high46 Ų4655.5 Ų55.530%0.29930%0.297SS..  trans-52.9141.8162.5-21.732.5000109.5L149 Y157 S320 L321L149-P318 HydrophobicContact CD1-CB 4.4Å; Y157-P318 HydrophobicContact CD2-CG 4.08Å; Y157-P318 HydrophobicContact CE2-CG 4.03Å; P318-S320 PolarHBondContact O-N 2.96Å; P318-L321 HydrophobicContact CB-CB 4.46Å; P318-L321 PolarHBondContact O-N 3.19Å
319A85.7Confident92.9Very high120 Ų12050.6 Ų50.699%0.99228%0.275SS*.THydrogen-bonded Turntrans-56.6-19.1-172.100000115F317F317-A319 PolarHBondContact O-N 3.3Å
320S89.9Confident92.6Very high12 Ų1248.8 Ų48.88%0.08427%0.267CS..THydrogen-bonded Turntrans-94.3-9.2177.759.20000115.1S144 D145 N146 S148 P318S144-S320 CarbonylContact C-O 3.21Å; S144-S320 VanDerWaalsContact CA-O 3.27Å; S144-S320 WeakPolarHBondContact CA-O 3.42Å; D145-S320 PolarHBondContact N-O 3.43Å; N146-S320 VanDerWaalsContact CG-CB 3.47Å; N146-S320 WeakPolarHBondContact OD1-CB 3.49Å; S148-S320 PolarHBondContact OG-OG 2.84Å; P318-S320 PolarHBondContact O-N 2.96Å
321L94Very high92.4Very high14 Ų1451.2 Ų51.27%0.07328%0.283CS..EExtended strand (participates in β ladder)trans-91.1131.4-173.2-169.171.5000111.4F142 L149 I154 Y157 F317 P318F142-L321 HydrophobicContact CB-CD1 4.07Å; L149-L321 HydrophobicContact CD1-CB 4.47Å; L149-L321 HydrophobicContact CD1-CD1 4.3Å; I154-L321 HydrophobicContact CB-CD1 4.44Å; I154-L321 HydrophobicContact CG1-CD1 4.03Å; I154-L321 HydrophobicContact CG2-CD1 3.79Å; Y157-L321 HydrophobicContact CD1-CD2 3.51Å; Y157-L321 HydrophobicContact CE1-CD2 3.87Å; Y157-L321 HydrophobicContact CG-CD2 4.26Å; F317-L321 HydrophobicContact CB-CB 4.3Å; F317-L321 HydrophobicContact CB-CD2 4.49Å; F317-L321 HydrophobicContact CD2-CB 4.45Å; F317-L321 HydrophobicContact CD2-CD2 4.14Å; F317-L321 HydrophobicContact CD2-CG 4.31Å; F317-L321 HydrophobicContact CG-CD2 4.16Å; P318-L321 HydrophobicContact CB-CB 4.46Å; P318-L321 PolarHBondContact O-N 3.19Å
322K93.5Very high92Very high108 Ų10847.2 Ų47.247%0.4726%0.26SS..EExtended strand (participates in β ladder)trans-133.6140.8178.9-177.6177.6178.4-179.50111.6F142 I143F142-K322 WeakPolarHBondContact CA-O 3.47Å; I143-K322 HydrophobicContact CG1-CB 4.35Å; I143-K322 PolarHBondContact N-O 3.01Å; I143-K322 PolarHBondContact O-N 3.31Å
323T95Very high91.5Very high23 Ų2341.2 Ų41.214%0.14124%0.238CC..EExtended strand (participates in β ladder)trans-85.1137.3171.1-47.70000111.3A140 A141 F142 L310 F317 Y325A140-T323 HydrophobicContact CB-CG2 4.34Å; A141-T323 CarbonylContact O-C 3.55Å; A141-T323 WeakPolarHBondContact O-CA 3.49Å; F142-T323 HydrophobicContact CD1-CG2 4.4Å; F142-T323 HydrophobicContact CE1-CG2 3.99Å; F142-T323 WeakPolarHBondContact CE1-OG1 3.41Å; F142-T323 HydrophobicContact CZ-CG2 4.48Å; L310-T323 HydrophobicContact CD1-CG2 4.15Å; F317-T323 WeakPolarHBondContact CE2-OG1 3.26Å; T323-Y325 HydrophobicContact CG2-CE1 4.06Å; T323-Y325 HydrophobicContact CG2-CE2 4.45Å
324V94.8Very high91.2Very high20 Ų2045.5 Ų45.512%0.12126%0.258CS..EExtended strand (participates in β ladder)trans-134.6156.2170.5-64.80000109.5A141 I143 Y281 P326A141-V324 HydrophobicContact CB-CG2 3.94Å; A141-V324 PolarHBondContact N-O 2.92Å; A141-V324 WeakPolarHBondContact O-CG2 3.26Å; A141-V324 PolarHBondContact O-N 2.91Å; A141-V324 VanDerWaalsContact O-O 3.08Å; I143-V324 HydrophobicContact CD1-CG1 4.01Å; I143-V324 HydrophobicContact CG1-CG1 4.38Å; I143-V324 HydrophobicContact CG2-CG2 4.32Å; Y281-V324 HydrophobicContact CD1-CG2 4.23Å; Y281-V324 HydrophobicContact CD2-CG2 3.96Å; Y281-V324 HydrophobicContact CE1-CG2 4.1Å; Y281-V324 HydrophobicContact CE2-CB 4.45Å; Y281-V324 HydrophobicContact CE2-CG2 3.83Å; Y281-V324 HydrophobicContact CG-CG2 4.15Å; V324-P326 VanDerWaalsContact O-CD 3.23Å; V324-P326 WeakPolarHBondContact O-CD 3.44Å
325Y95.6Very high91Very high67 Ų6745.9 Ų45.926%0.26326%0.255SS..EExtended strand (participates in β ladder)trans-11880.2-175.7-55.3-80.1000110A140 K307 L310 T323 Y327A140-Y325 HydrophobicContact CB-CD1 4.22Å; A140-Y325 HydrophobicContact CB-CE1 4.17Å; K307-Y325 HydrophobicContact CG-CE1 4.02Å; L310-Y325 HydrophobicContact CD1-CE1 3.91Å; T323-Y325 HydrophobicContact CG2-CE1 4.06Å; T323-Y325 HydrophobicContact CG2-CE2 4.45Å; Y325-Y327 PolarHBondContact O-N 3.23Å
326P93Very high90.7Very high0 Ų042.9 Ų42.90%023%0.228CC..EExtended strand (participates in β ladder)trans-69.3-13.1-178.326.5-37.4000114.9V139 A141 Y281 V324 F608 S628V139-P326 HydrophobicContact CB-CG 4.32Å; V139-P326 HydrophobicContact CG1-CG 4.2Å; V139-P326 VanDerWaalsContact O-CD 3.24Å; V139-P326 WeakPolarHBondContact O-CD 3.45Å; A141-P326 HydrophobicContact CB-CG 3.73Å; Y281-P326 HydrophobicContact CD2-CB 4.07Å; Y281-P326 HydrophobicContact CD2-CG 4.47Å; Y281-P326 HydrophobicContact CE2-CB 3.91Å; V324-P326 VanDerWaalsContact O-CD 3.23Å; V324-P326 WeakPolarHBondContact O-CD 3.44Å; P326-F608 HydrophobicContact CB-CB 3.35Å; P326-F608 HydrophobicContact CB-CG 4.1Å; P326-F608 HydrophobicContact CG-CB 3.63Å; P326-F608 HydrophobicContact CG-CD1 4.26Å; P326-F608 HydrophobicContact CG-CD2 4.2Å; P326-F608 HydrophobicContact CG-CG 3.79Å; P326-S628 WeakPolarHBondContact O-CB 3.29Å
327Y93.7Very high90.3Very high3 Ų336.7 Ų36.71%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-148118.9178.4-175.5-94.5000108.1I136 M138 V139 Y325 T329 V569 M571 F626 L666I136-Y327 HydrophobicContact CB-CE1 4.29Å; I136-Y327 HydrophobicContact CG2-CD1 4.15Å; I136-Y327 HydrophobicContact CG2-CE1 4.24Å; I136-Y327 WeakPolarHBondContact O-CE1 3.34Å; M138-Y327 CarbonylContact C-O 3.53Å; M138-Y327 WeakPolarHBondContact CA-O 3.24Å; M138-Y327 WeakPolarHBondContact CB-O 3.32Å; V139-Y327 HydrophobicContact CG2-CD1 4.22Å; V139-Y327 HydrophobicContact CG2-CG 4.38Å; V139-Y327 PolarHBondContact N-O 2.88Å; Y325-Y327 PolarHBondContact O-N 3.23Å; Y327-T329 HydrophobicContact CE1-CG2 3.86Å; Y327-V569 HydrophobicContact CD2-CB 3.95Å; Y327-V569 HydrophobicContact CD2-CG1 4.06Å; Y327-V569 HydrophobicContact CD2-CG2 4.28Å; Y327-V569 HydrophobicContact CE2-CB 3.78Å; Y327-V569 HydrophobicContact CE2-CG1 4.31Å; Y327-V569 HydrophobicContact CE2-CG2 3.69Å; Y327-M571 HydrophobicContact CD2-CE 4.14Å; Y327-M571 HydrophobicContact CE1-CE 4.19Å; Y327-M571 HydrophobicContact CE2-CE 3.36Å; Y327-M571 WeakPolarHBondContact OH-CE 3.32Å; Y327-F626 HydrophobicContact CD1-CD1 4.38Å; Y327-F626 HydrophobicContact CD2-CB 4.32Å; Y327-F626 AromaticContact CD2-CD1 3.69Å; Y327-F626 HydrophobicContact CD2-CD1 3.69Å; Y327-F626 HydrophobicContact CD2-CG 4.48Å; Y327-F626 HydrophobicContact CE2-CD1 4.27Å; Y327-F626 AromaticContact CG-CD1 3.74Å; Y327-F626 HydrophobicContact CG-CD1 3.74Å; Y327-F626 HydrophobicContact CG-CE1 4.43Å; Y327-L666 HydrophobicContact CE2-CD1 4.01Å; Y327-L666 WeakPolarHBondContact OH-CD1 3.34Å; Y327-L666 WeakPolarHBondContact OH-CD2 3.4Å
328D92.3Very high90.1Very high18 Ų1841.8 Ų41.810%0.09623%0.23CC..EExtended strand (participates in β ladder)trans-151.7117.9179.7-173.9-5.6000108.3M138 K307 T330 P331M138-D328 HydrophobicContact CB-CB 4.43Å; K307-D328 WeakPolarHBondContact CE-OD2 3.23Å; K307-D328 IonicContact NZ-OD2 3Å; K307-D328 PolarHBondContact NZ-OD2 3.31Å; D328-T330 VanDerWaalsContact C-N 3.33Å; D328-T330 WeakPolarHBondContact OD1-CB 3.44Å; D328-T330 WeakPolarHBondContact OD1-CG2 3.38Å; D328-T330 PolarHBondContact OD1-N 3.1Å; D328-T330 PolarHBondContact OD1-OG1 3Å; D328-T330 PolarHBondContact OD2-OG1 3.41Å; D328-P331 WeakPolarHBondContact O-CD 3.19Å
329T87.1Confident90Very high14 Ų1443.7 Ų43.79%0.08624%0.235CC..SBendtrans-83.2-11.8179.553.60000112.6L137 Y327 F332L137-T329 PolarHBondContact O-N 3.31Å; L137-T329 PolarHBondContact O-OG1 3.07Å; Y327-T329 HydrophobicContact CE1-CG2 3.86Å; T329-F332 PolarHBondContact O-N 3.46Å
330T88.7Confident90Very high1 Ų138.6 Ų38.61%0.00619%0.192CC..Hα-helixtrans-68.7-35-173.460.90000116.5L137 L300 S303 D328 F332 I333 E334L137-T330 HydrophobicContact CD1-CG2 4.07Å; L300-T330 HydrophobicContact CD2-CG2 4.42Å; S303-T330 WeakPolarHBondContact OG-CG2 3.41Å; S303-T330 PolarHBondContact OG-OG1 3.29Å; S303-T330 VanDerWaalsContact OG-OG1 3.08Å; D328-T330 VanDerWaalsContact C-N 3.33Å; D328-T330 WeakPolarHBondContact OD1-CB 3.44Å; D328-T330 WeakPolarHBondContact OD1-CG2 3.38Å; D328-T330 PolarHBondContact OD1-N 3.1Å; D328-T330 PolarHBondContact OD1-OG1 3Å; D328-T330 PolarHBondContact OD2-OG1 3.41Å; T330-F332 PolarHBondContact O-N 3.5Å; T330-I333 WeakPolarHBondContact O-CB 3.33Å; T330-I333 PolarHBondContact O-N 3.45Å; T330-E334 PolarHBondContact O-N 3.32Å; T330-E334 VanDerWaalsContact O-N 3.12Å
331P89.7Confident89.8Confident52 Ų5243.8 Ų43.834%0.33821%0.213SC..Hα-helixtrans-58.6-34.4176.6-25.935.9000113.2D328 E334 I335D328-P331 WeakPolarHBondContact O-CD 3.19Å; P331-E334 PolarHBondContact O-N 2.67Å; P331-I335 WeakPolarHBondContact O-CB 3.15Å; P331-I335 WeakPolarHBondContact O-CG1 3.38Å; P331-I335 PolarHBondContact O-N 3.46Å
332F87.3Confident89.6Confident18 Ų1847.7 Ų47.78%0.07923%0.229CC..Hα-helixtrans-64.8-40.4176.3-177.6-102.4000111.8Q34 T329 T330 S336 E565 D566 Q567 W632Q34-F332 HydrophobicContact CG-CD1 4.32Å; Q34-F332 HydrophobicContact CG-CE1 4.23Å; T329-F332 PolarHBondContact O-N 3.46Å; T330-F332 PolarHBondContact O-N 3.5Å; F332-S336 WeakPolarHBondContact CE1-OG 3.31Å; F332-S336 WeakPolarHBondContact CZ-OG 3.47Å; F332-S336 VanDerWaalsContact O-CB 3.22Å; F332-S336 WeakPolarHBondContact O-CB 3.42Å; F332-S336 PolarHBondContact O-N 2.68Å; F332-S336 PolarHBondContact O-OG 3.43Å; F332-E565 WeakPolarHBondContact CE1-OE2 3.31Å; F332-E565 HydrophobicContact CZ-CB 4.11Å; F332-E565 WeakPolarHBondContact CZ-OE2 3.46Å; F332-D566 WeakPolarHBondContact CE2-O 3.43Å; F332-Q567 HydrophobicContact CD1-CG 4.13Å; F332-Q567 HydrophobicContact CD2-CB 4.38Å; F332-Q567 HydrophobicContact CD2-CG 4.42Å; F332-Q567 HydrophobicContact CE1-CG 4.24Å; F332-Q567 HydrophobicContact CE2-CG 4.46Å; F332-Q567 HydrophobicContact CG-CB 4.24Å; F332-Q567 HydrophobicContact CG-CG 4.22Å; F332-Q567 HydrophobicContact CZ-CG 4.37Å; F332-W632 HydrophobicContact CB-CH2 4.07Å; F332-W632 HydrophobicContact CB-CZ2 4.4Å; F332-W632 AromaticContact CD2-CH2 3.99Å; F332-W632 HydrophobicContact CD2-CH2 3.99Å; F332-W632 AromaticContact CD2-CZ2 3.57Å; F332-W632 HydrophobicContact CD2-CZ2 3.57Å; F332-W632 HydrophobicContact CE2-CZ2 4.37Å; F332-W632 HydrophobicContact CG-CZ2 4.47Å
333I86.2Confident89.5Confident6 Ų645.3 Ų45.33%0.03122%0.224CC..Hα-helixtrans-63.9-46.5178.3-48.2-172.4000110.3Q34 A299 L300 T330 S336 I337Q34-I333 HydrophobicContact CB-CD1 4.11Å; Q34-I333 HydrophobicContact CB-CG1 3.98Å; Q34-I333 HydrophobicContact CB-CG2 4.36Å; A299-I333 HydrophobicContact CB-CD1 3.76Å; L300-I333 HydrophobicContact CD1-CG2 3.87Å; L300-I333 HydrophobicContact CD2-CB 4.36Å; L300-I333 HydrophobicContact CG-CB 4.46Å; L300-I333 HydrophobicContact CG-CG2 4.19Å; T330-I333 WeakPolarHBondContact O-CB 3.33Å; T330-I333 PolarHBondContact O-N 3.45Å; I333-S336 PolarHBondContact O-N 2.94Å; I333-I337 HydrophobicContact CG2-CD1 4.14Å; I333-I337 WeakPolarHBondContact O-CG1 3.26Å; I333-I337 PolarHBondContact O-N 3.11Å; I333-I337 VanDerWaalsContact O-N 3.13Å
334E87.5Confident89.1Confident108 Ų10844.8 Ų44.851%0.50522%0.221SC..Hα-helixtrans-60.5-48179-65.6-175.9172.300111.5L300 T330 P331 I337 Q338L300-E334 HydrophobicContact CD2-CG 3.46Å; L300-E334 VanDerWaalsContact CD2-CG 3.46Å; T330-E334 PolarHBondContact O-N 3.32Å; T330-E334 VanDerWaalsContact O-N 3.12Å; P331-E334 PolarHBondContact O-N 2.67Å; E334-I337 PolarHBondContact O-N 3.37Å; E334-Q338 WeakPolarHBondContact O-CB 3.49Å; E334-Q338 PolarHBondContact O-N 3.18Å
335I87.4Confident88.8Confident62 Ų6246.7 Ų46.732%0.31823%0.232SC..Hα-helixtrans-68.6-40.9-178.8-73.5163.7000111.5P331 I337 Q338 E339 W632P331-I335 WeakPolarHBondContact O-CB 3.15Å; P331-I335 WeakPolarHBondContact O-CG1 3.38Å; P331-I335 PolarHBondContact O-N 3.46Å; I335-I337 VanDerWaalsContact C-N 3.26Å; I335-I337 PolarHBondContact O-N 3.14Å; I335-Q338 PolarHBondContact O-N 3.28Å; I335-E339 HydrophobicContact CG2-CG 4.32Å; I335-E339 WeakPolarHBondContact O-CB 3.44Å; I335-E339 PolarHBondContact O-N 3.43Å; I335-W632 HydrophobicContact CD1-CE3 3.44Å; I335-W632 VanDerWaalsContact CD1-CE3 3.44Å; I335-W632 HydrophobicContact CD1-CH2 4.3Å; I335-W632 HydrophobicContact CD1-CZ3 3.26Å
336S86.5Confident88.7Confident19 Ų1948 Ų4813%0.13324%0.24CC..Hα-helixtrans-56.3-45.1176.3-65.50000110.7F332 I333 V340F332-S336 WeakPolarHBondContact CE1-OG 3.31Å; F332-S336 WeakPolarHBondContact CZ-OG 3.47Å; F332-S336 VanDerWaalsContact O-CB 3.22Å; F332-S336 WeakPolarHBondContact O-CB 3.42Å; F332-S336 PolarHBondContact O-N 2.68Å; F332-S336 PolarHBondContact O-OG 3.43Å; I333-S336 PolarHBondContact O-N 2.94Å; S336-V340 WeakPolarHBondContact O-CG2 3.34Å; S336-V340 PolarHBondContact O-N 2.74Å
337I84.5Confident88.5Confident34 Ų3449 Ų4917%0.17425%0.249CC..Hα-helixtrans-71.5-40.4179.6-66.9175000111.5V32 I333 E334 I335 V340 F341V32-I337 HydrophobicContact CB-CD1 4.46Å; V32-I337 HydrophobicContact CG1-CD1 2.96Å; V32-I337 HydrophobicContact CG1-CG1 4.45Å; I333-I337 HydrophobicContact CG2-CD1 4.14Å; I333-I337 WeakPolarHBondContact O-CG1 3.26Å; I333-I337 PolarHBondContact O-N 3.11Å; I333-I337 VanDerWaalsContact O-N 3.13Å; E334-I337 PolarHBondContact O-N 3.37Å; I335-I337 VanDerWaalsContact C-N 3.26Å; I335-I337 PolarHBondContact O-N 3.14Å; I337-V340 PolarHBondContact O-N 2.79Å; I337-F341 WeakPolarHBondContact O-CB 3.08Å; I337-F341 PolarHBondContact O-N 3.43Å
338Q88.6Confident88.1Confident132 Ų13250.5 Ų50.562%0.61726%0.257SS*.Hα-helixtrans-62.4-43.3177.2-174.6176.8-7.600112E334 I335 F341 K342E334-Q338 WeakPolarHBondContact O-CB 3.49Å; E334-Q338 PolarHBondContact O-N 3.18Å; I335-Q338 PolarHBondContact O-N 3.28Å; Q338-F341 PolarHBondContact O-N 3.43Å; Q338-K342 WeakPolarHBondContact O-CB 3.17Å; Q338-K342 PolarHBondContact O-N 2.95Å
339E88.5Confident88Confident87 Ų8753.9 Ų53.941%0.40727%0.274SS..Hα-helixtrans-69.6-36.9177.3-77.5-61.6153.200111.9I335 K342 T343I335-E339 HydrophobicContact CG2-CG 4.32Å; I335-E339 WeakPolarHBondContact O-CB 3.44Å; I335-E339 PolarHBondContact O-N 3.43Å; E339-K342 PolarHBondContact O-N 2.78Å; E339-K342 IonicContact OE1-NZ 2.66Å; E339-K342 PolarHBondContact OE1-NZ 2.81Å; E339-K342 IonicContact OE2-NZ 2.69Å; E339-K342 PolarHBondContact OE2-NZ 3.23Å; E339-T343 WeakPolarHBondContact O-CB 3.41Å; E339-T343 PolarHBondContact O-N 3.19Å; E339-T343 PolarHBondContact O-OG1 3.2Å
340V86Confident88.3Confident13 Ų1358.4 Ų58.48%0.07930%0.297CS..Hα-helixtrans-68.2-37.8173.8-176.60000111.2S336 I337 T343 L344 M395 F396 V399S336-V340 WeakPolarHBondContact O-CG2 3.34Å; S336-V340 PolarHBondContact O-N 2.74Å; I337-V340 PolarHBondContact O-N 2.79Å; V340-T343 WeakPolarHBondContact O-CB 3.37Å; V340-T343 PolarHBondContact O-N 2.91Å; V340-L344 WeakPolarHBondContact O-CB 3.19Å; V340-L344 PolarHBondContact O-N 2.9Å; V340-M395 HydrophobicContact CB-CB 4.3Å; V340-M395 HydrophobicContact CG1-CB 3.57Å; V340-M395 HydrophobicContact CG1-CE 4.03Å; V340-F396 HydrophobicContact CG2-CD1 4.22Å; V340-F396 HydrophobicContact CG2-CE1 3.84Å; V340-V399 HydrophobicContact CG1-CG2 3.76Å
341F86.3Confident88.2Confident121 Ų12160 Ų6053%0.53131%0.307SS..Hα-helixtrans-62.5-42.8172.6177.1-97.2000112.1I337 Q338 T343 L344 V345I337-F341 WeakPolarHBondContact O-CB 3.08Å; I337-F341 PolarHBondContact O-N 3.43Å; Q338-F341 PolarHBondContact O-N 3.43Å; F341-T343 VanDerWaalsContact C-N 3.35Å; F341-L344 VanDerWaalsContact O-CB 3.32Å; F341-L344 WeakPolarHBondContact O-CB 3.42Å; F341-L344 PolarHBondContact O-N 2.8Å; F341-V345 HydrophobicContact CD1-CG2 4.43Å; F341-V345 HydrophobicContact CE1-CG2 3.94Å; F341-V345 HydrophobicContact CZ-CG2 3.98Å; F341-V345 WeakPolarHBondContact O-CG2 3.38Å; F341-V345 PolarHBondContact O-N 3.2Å
342K90Very high88.2Confident95 Ų9559.8 Ų59.841%0.41330%0.3SS..Hα-helixtrans-61.3-44.8174.2178.4177.8153.8-144.40111.3Q338 E339 L344 V345 E346Q338-K342 WeakPolarHBondContact O-CB 3.17Å; Q338-K342 PolarHBondContact O-N 2.95Å; E339-K342 PolarHBondContact O-N 2.78Å; E339-K342 IonicContact OE1-NZ 2.66Å; E339-K342 PolarHBondContact OE1-NZ 2.81Å; E339-K342 IonicContact OE2-NZ 2.69Å; E339-K342 PolarHBondContact OE2-NZ 3.23Å; K342-L344 VanDerWaalsContact C-N 3.28Å; K342-L344 PolarHBondContact O-N 2.81Å; K342-V345 PolarHBondContact O-N 3.42Å; K342-V345 VanDerWaalsContact O-N 3.16Å; K342-E346 VanDerWaalsContact CE-OE1 3.29Å; K342-E346 WeakPolarHBondContact CE-OE1 3.16Å; K342-E346 WeakPolarHBondContact O-CG 3.34Å; K342-E346 PolarHBondContact O-N 3.09Å
343T90.1Very high88.4Confident58 Ų5863.4 Ų63.436%0.35632%0.32SS..Hα-helixtrans-60.1-39.1174.6-56.20000111.4E339 V340 F341 E346 A347 V399E339-T343 WeakPolarHBondContact O-CB 3.41Å; E339-T343 PolarHBondContact O-N 3.19Å; E339-T343 PolarHBondContact O-OG1 3.2Å; V340-T343 WeakPolarHBondContact O-CB 3.37Å; V340-T343 PolarHBondContact O-N 2.91Å; F341-T343 VanDerWaalsContact C-N 3.35Å; T343-E346 PolarHBondContact O-N 2.89Å; T343-A347 VanDerWaalsContact O-CB 3.26Å; T343-A347 WeakPolarHBondContact O-CB 3.24Å; T343-A347 PolarHBondContact O-N 2.83Å; T343-V399 HydrophobicContact CG2-CG1 4.22Å
344L86.6Confident88.6Confident13 Ų1366.8 Ų66.87%0.06834%0.341CS..Hα-helixtrans-60.7-47.2175-170.7164.9000110.7V340 F341 K342 A347 I348 I376 M395 V399 I402V340-L344 WeakPolarHBondContact O-CB 3.19Å; V340-L344 PolarHBondContact O-N 2.9Å; F341-L344 VanDerWaalsContact O-CB 3.32Å; F341-L344 WeakPolarHBondContact O-CB 3.42Å; F341-L344 PolarHBondContact O-N 2.8Å; K342-L344 VanDerWaalsContact C-N 3.28Å; K342-L344 PolarHBondContact O-N 2.81Å; L344-A347 PolarHBondContact O-N 2.9Å; L344-I348 HydrophobicContact CD2-CD1 3.54Å; L344-I348 HydrophobicContact CD2-CG1 4.3Å; L344-I348 WeakPolarHBondContact O-CG1 3.15Å; L344-I348 PolarHBondContact O-N 3.14Å; L344-I376 HydrophobicContact CD1-CD1 4.42Å; L344-I376 HydrophobicContact CD2-CD1 4.01Å; L344-I376 HydrophobicContact CG-CD1 4.38Å; L344-M395 HydrophobicContact CD1-CE 4.26Å; L344-V399 HydrophobicContact CB-CG2 4.36Å; L344-I402 HydrophobicContact CB-CD1 4.49Å; L344-I402 HydrophobicContact CD2-CD1 4.13Å; L344-I402 HydrophobicContact CG-CD1 3.72Å
345V90.3Very high88.5Confident60 Ų6062.2 Ų62.236%0.36432%0.32SS..Hα-helixtrans-63.9-44.8176.5174.30000111.5F341 K342 A347 I348 I349F341-V345 HydrophobicContact CD1-CG2 4.43Å; F341-V345 HydrophobicContact CE1-CG2 3.94Å; F341-V345 HydrophobicContact CZ-CG2 3.98Å; F341-V345 WeakPolarHBondContact O-CG2 3.38Å; F341-V345 PolarHBondContact O-N 3.2Å; K342-V345 PolarHBondContact O-N 3.42Å; K342-V345 VanDerWaalsContact O-N 3.16Å; V345-A347 VanDerWaalsContact C-N 3.34Å; V345-A347 PolarHBondContact O-N 2.77Å; V345-I348 PolarHBondContact O-N 3.29Å; V345-I349 HydrophobicContact CG1-CD1 3.92Å; V345-I349 WeakPolarHBondContact O-CG1 3.34Å; V345-I349 PolarHBondContact O-N 2.87Å
346E92.1Very high88.5Confident93 Ų9363.3 Ų63.344%0.43532%0.32SS..Hα-helixtrans-59.6-44176.1-72.9175.5-174.100111.5K342 T343 I348 I349 L350K342-E346 VanDerWaalsContact CE-OE1 3.29Å; K342-E346 WeakPolarHBondContact CE-OE1 3.16Å; K342-E346 WeakPolarHBondContact O-CG 3.34Å; K342-E346 PolarHBondContact O-N 3.09Å; T343-E346 PolarHBondContact O-N 2.89Å; E346-I348 PolarHBondContact O-N 2.9Å; E346-I349 PolarHBondContact O-N 3.26Å; E346-L350 WeakPolarHBondContact O-CB 3.25Å; E346-L350 VanDerWaalsContact O-CG 3.29Å; E346-L350 WeakPolarHBondContact O-CG 3.38Å; E346-L350 PolarHBondContact O-N 2.9Å
347A88.4Confident88.6Confident21 Ų2165.4 Ų65.417%0.17433%0.33CS..Hα-helixtrans-61.2-43.9176.500000111.9T343 L344 V345 I349 L350 V351 I402T343-A347 VanDerWaalsContact O-CB 3.26Å; T343-A347 WeakPolarHBondContact O-CB 3.24Å; T343-A347 PolarHBondContact O-N 2.83Å; L344-A347 PolarHBondContact O-N 2.9Å; V345-A347 VanDerWaalsContact C-N 3.34Å; V345-A347 PolarHBondContact O-N 2.77Å; A347-I349 VanDerWaalsContact C-N 3.34Å; A347-I349 PolarHBondContact O-N 3.21Å; A347-L350 PolarHBondContact O-N 2.83Å; A347-V351 WeakPolarHBondContact O-CG2 3.5Å; A347-V351 PolarHBondContact O-N 3.36Å; A347-I402 HydrophobicContact CB-CD1 4.25Å; A347-I402 HydrophobicContact CB-CG2 4.41Å
348I86.2Confident88.6Confident36 Ų3668.5 Ų68.519%0.18534%0.342CS..Hα-helixtrans-60.7-44.2175.6-69.3174.5000111L344 V345 E346 V351 F352 T369 V372 I376 I402L344-I348 HydrophobicContact CD2-CD1 3.54Å; L344-I348 HydrophobicContact CD2-CG1 4.3Å; L344-I348 WeakPolarHBondContact O-CG1 3.15Å; L344-I348 PolarHBondContact O-N 3.14Å; V345-I348 PolarHBondContact O-N 3.29Å; E346-I348 PolarHBondContact O-N 2.9Å; I348-V351 PolarHBondContact O-N 3.18Å; I348-F352 WeakPolarHBondContact O-CB 3.45Å; I348-F352 PolarHBondContact O-N 3.33Å; I348-T369 HydrophobicContact CG2-CG2 4.46Å; I348-V372 HydrophobicContact CD1-CG1 3.91Å; I348-V372 HydrophobicContact CG1-CG1 3.85Å; I348-I376 HydrophobicContact CD1-CD1 4.36Å; I348-I402 HydrophobicContact CG1-CD1 4.22Å
349I91Very high88.3Confident89 Ų8964 Ų6446%0.45632%0.322SS..Hα-helixtrans-64-45178.1-67.5167.5000110.5V345 E346 A347 F352 L353V345-I349 HydrophobicContact CG1-CD1 3.92Å; V345-I349 WeakPolarHBondContact O-CG1 3.34Å; V345-I349 PolarHBondContact O-N 2.87Å; E346-I349 PolarHBondContact O-N 3.26Å; A347-I349 VanDerWaalsContact C-N 3.34Å; A347-I349 PolarHBondContact O-N 3.21Å; I349-F352 WeakPolarHBondContact O-CB 3.45Å; I349-F352 PolarHBondContact O-N 2.83Å; I349-L353 HydrophobicContact CG2-CD1 4.08Å; I349-L353 HydrophobicContact CG2-CG 4.38Å; I349-L353 VanDerWaalsContact O-CG 3.31Å; I349-L353 WeakPolarHBondContact O-CG 3.33Å; I349-L353 PolarHBondContact O-N 2.68Å
350L91.5Very high88Confident108 Ų10862 Ų6257%0.56531%0.313SS*.Hα-helixtrans-61.8-45.5178.8-75.2169.8000111.6E346 A347 F352 L353 V354E346-L350 WeakPolarHBondContact O-CB 3.25Å; E346-L350 VanDerWaalsContact O-CG 3.29Å; E346-L350 WeakPolarHBondContact O-CG 3.38Å; E346-L350 PolarHBondContact O-N 2.9Å; A347-L350 PolarHBondContact O-N 2.83Å; L350-F352 VanDerWaalsContact C-N 3.34Å; L350-F352 PolarHBondContact O-N 3.36Å; L350-L353 PolarHBondContact O-N 2.83Å; L350-V354 WeakPolarHBondContact O-CG2 3.21Å; L350-V354 PolarHBondContact O-N 3.3Å
351V87.4Confident87.9Confident35 Ų3563.8 Ų63.821%0.21232%0.322CS..Hα-helixtrans-61.8-43.5175.4173.40000110.9A347 I348 L353 V354 M355 I402 V406A347-V351 WeakPolarHBondContact O-CG2 3.5Å; A347-V351 PolarHBondContact O-N 3.36Å; I348-V351 PolarHBondContact O-N 3.18Å; V351-L353 VanDerWaalsContact C-N 3.32Å; V351-L353 PolarHBondContact O-N 3.39Å; V351-V354 PolarHBondContact O-N 3.01Å; V351-M355 HydrophobicContact CG1-CG 4.24Å; V351-M355 WeakPolarHBondContact O-CB 3.44Å; V351-M355 VanDerWaalsContact O-CG 3.32Å; V351-M355 WeakPolarHBondContact O-CG 3.26Å; V351-M355 PolarHBondContact O-N 3.26Å; V351-I402 HydrophobicContact CG2-CG2 4.21Å; V351-V406 HydrophobicContact CG1-CB 4.14Å; V351-V406 HydrophobicContact CG1-CG1 3.96Å; V351-V406 HydrophobicContact CG1-CG2 3.92Å
352F90Very high87.9Confident47 Ų4763.6 Ų63.621%0.20632%0.321CS..Hα-helixtrans-56.8-45.3174.4174.2-87.4000111.7I348 I349 L350 M355 Y356 F362 T365 T369I348-F352 WeakPolarHBondContact O-CB 3.45Å; I348-F352 PolarHBondContact O-N 3.33Å; I349-F352 WeakPolarHBondContact O-CB 3.45Å; I349-F352 PolarHBondContact O-N 2.83Å; L350-F352 VanDerWaalsContact C-N 3.34Å; L350-F352 PolarHBondContact O-N 3.36Å; F352-M355 PolarHBondContact O-N 2.9Å; F352-Y356 VanDerWaalsContact O-CB 3.29Å; F352-Y356 WeakPolarHBondContact O-CB 3.21Å; F352-Y356 PolarHBondContact O-N 3.36Å; F352-F362 HydrophobicContact CE2-CE2 4.33Å; F352-F362 AromaticContact CZ-CD2 3.93Å; F352-F362 HydrophobicContact CZ-CD2 3.93Å; F352-F362 AromaticContact CZ-CE2 3.72Å; F352-F362 HydrophobicContact CZ-CE2 3.72Å; F352-T365 HydrophobicContact CD2-CG2 3.49Å; F352-T365 VanDerWaalsContact CD2-CG2 3.49Å; F352-T365 HydrophobicContact CE2-CG2 3.48Å; F352-T365 VanDerWaalsContact CE2-CG2 3.48Å; F352-T365 HydrophobicContact CG-CG2 4.07Å; F352-T365 HydrophobicContact CZ-CG2 4.04Å; F352-T365 WeakPolarHBondContact O-CG2 3.42Å; F352-T369 HydrophobicContact CD2-CG2 4.23Å; F352-T369 WeakPolarHBondContact CD2-OG1 3.44Å
353L91.7Very high87.7Confident94 Ų9464.2 Ų64.249%0.49232%0.321SS..Hα-helixtrans-65.2-42.9179.7-70.9174.1000112.4I349 L350 V351 Y356 L357I349-L353 HydrophobicContact CG2-CD1 4.08Å; I349-L353 HydrophobicContact CG2-CG 4.38Å; I349-L353 VanDerWaalsContact O-CG 3.31Å; I349-L353 WeakPolarHBondContact O-CG 3.33Å; I349-L353 PolarHBondContact O-N 2.68Å; L350-L353 PolarHBondContact O-N 2.83Å; V351-L353 VanDerWaalsContact C-N 3.32Å; V351-L353 PolarHBondContact O-N 3.39Å; L353-Y356 PolarHBondContact O-N 3.22Å; L353-L357 PolarHBondContact O-N 2.85Å
354V89.6Confident87.6Confident78 Ų7861.4 Ų61.447%0.47330%0.304SS..Hα-helixtrans-62.8-46.8176.1173.20000110L350 V351 Y356 L357 F358L350-V354 WeakPolarHBondContact O-CG2 3.21Å; L350-V354 PolarHBondContact O-N 3.3Å; V351-V354 PolarHBondContact O-N 3.01Å; V354-Y356 VanDerWaalsContact C-N 3.33Å; V354-Y356 PolarHBondContact O-N 3.39Å; V354-L357 WeakPolarHBondContact O-CB 3.46Å; V354-L357 PolarHBondContact O-N 3.35Å; V354-L357 VanDerWaalsContact O-N 3.14Å; V354-F358 HydrophobicContact CG1-CD2 4.02Å; V354-F358 HydrophobicContact CG1-CE2 3.95Å; V354-F358 VanDerWaalsContact O-CD2 3.31Å; V354-F358 WeakPolarHBondContact O-CD2 3.2Å; V354-F358 PolarHBondContact O-N 3.38Å
355M85.4Confident87.7Confident12 Ų1260.8 Ų60.86%0.05930%0.301CS..Hα-helixtrans-62.3-39.9177.2-74.7-52.6-5700112.9V351 F352 L357 F358 L359 T365 I410V351-M355 HydrophobicContact CG1-CG 4.24Å; V351-M355 WeakPolarHBondContact O-CB 3.44Å; V351-M355 VanDerWaalsContact O-CG 3.32Å; V351-M355 WeakPolarHBondContact O-CG 3.26Å; V351-M355 PolarHBondContact O-N 3.26Å; F352-M355 PolarHBondContact O-N 2.9Å; M355-L357 VanDerWaalsContact C-N 3.3Å; M355-L357 PolarHBondContact O-N 3.39Å; M355-F358 PolarHBondContact O-N 2.8Å; M355-L359 HydrophobicContact CE-CD1 3.36Å; M355-L359 HydrophobicContact CE-CG 3.78Å; M355-L359 WeakPolarHBondContact O-CB 3.47Å; M355-L359 PolarHBondContact O-N 2.79Å; M355-T365 HydrophobicContact CB-CG2 3.82Å; M355-I410 HydrophobicContact CE-CB 4.18Å; M355-I410 HydrophobicContact CE-CD1 4.26Å; M355-I410 HydrophobicContact CE-CG1 3.64Å; M355-I410 HydrophobicContact CE-CG2 3.75Å; M355-I410 HydrophobicContact CG-CD1 4.01Å; M355-I410 HydrophobicContact CG-CG1 4.18Å; M355-I410 HydrophobicContact SD-CB 4.24Å; M355-I410 HydrophobicContact SD-CD1 3.3Å; M355-I410 WeakPolarHBondContact SD-CD1 2.96Å; M355-I410 HydrophobicContact SD-CG1 3.39Å; M355-I410 WeakPolarHBondContact SD-CG1 3.27Å; M355-I410 HydrophobicContact SD-CG2 3.84Å
356Y88.6Confident87.7Confident84 Ų8460.3 Ų60.333%0.32930%0.295SS..Hα-helixtrans-64.2-35.9175.7-173.4-113.1000112.2F352 L353 V354 Q360 F362 T365 F511F352-Y356 VanDerWaalsContact O-CB 3.29Å; F352-Y356 WeakPolarHBondContact O-CB 3.21Å; F352-Y356 PolarHBondContact O-N 3.36Å; L353-Y356 PolarHBondContact O-N 3.22Å; V354-Y356 VanDerWaalsContact C-N 3.33Å; V354-Y356 PolarHBondContact O-N 3.39Å; Y356-Q360 VanDerWaalsContact O-CA 3.27Å; Y356-Q360 WeakPolarHBondContact O-CA 3.33Å; Y356-Q360 PolarHBondContact O-N 3.24Å; Y356-F362 HydrophobicContact CE2-CB 4.19Å; Y356-T365 WeakPolarHBondContact CA-OG1 3.38Å; Y356-F511 HydrophobicContact CE1-CZ 4.08Å
357L87.7Confident87.6Confident64 Ų6455.9 Ų55.934%0.33527%0.274SS..Hα-helixtrans-63.4-42.9176.6-179.165.7000112L353 V354 M355 Q360 F511 F514L353-L357 PolarHBondContact O-N 2.85Å; V354-L357 WeakPolarHBondContact O-CB 3.46Å; V354-L357 PolarHBondContact O-N 3.35Å; V354-L357 VanDerWaalsContact O-N 3.14Å; M355-L357 VanDerWaalsContact C-N 3.3Å; M355-L357 PolarHBondContact O-N 3.39Å; L357-Q360 WeakPolarHBondContact O-CG 3.35Å; L357-F511 HydrophobicContact CD1-CE1 4.23Å; L357-F514 HydrophobicContact CD1-CD2 4.47Å; L357-F514 HydrophobicContact CD2-CE2 4.12Å; L357-F514 HydrophobicContact CD2-CZ 4.28Å; L357-F514 HydrophobicContact CG-CE1 4.46Å; L357-F514 HydrophobicContact CG-CE2 4.26Å; L357-F514 HydrophobicContact CG-CZ 4.18Å
358F84.6Confident87.6Confident99 Ų9955 Ų5543%0.43427%0.267SS..Hα-helixtrans-77.6-47.9-179.8-79.1-79.3000112.9V354 M355 F514 F518V354-F358 HydrophobicContact CG1-CD2 4.02Å; V354-F358 HydrophobicContact CG1-CE2 3.95Å; V354-F358 VanDerWaalsContact O-CD2 3.31Å; V354-F358 WeakPolarHBondContact O-CD2 3.2Å; V354-F358 PolarHBondContact O-N 3.38Å; M355-F358 PolarHBondContact O-N 2.8Å; F358-F514 HydrophobicContact CD1-CE1 4.08Å; F358-F514 HydrophobicContact CD1-CZ 4.17Å; F358-F514 HydrophobicContact CE1-CE1 4.18Å; F358-F514 AromaticContact CE1-CZ 3.85Å; F358-F514 HydrophobicContact CE1-CZ 3.85Å; F358-F514 HydrophobicContact CZ-CZ 4.15Å; F358-F518 HydrophobicContact CE1-CD2 4.18Å; F358-F518 AromaticContact CE1-CE2 3.72Å; F358-F518 HydrophobicContact CE1-CE2 3.72Å; F358-F518 HydrophobicContact CE1-CZ 4.1Å
359L81.5Confident87.8Confident36 Ų3654.9 Ų54.919%0.18827%0.268CS..Hα-helixtrans-82.5-23.1-174.7-63.3179.5000113.3M355 N361 A364 V413M355-L359 HydrophobicContact CE-CD1 3.36Å; M355-L359 HydrophobicContact CE-CG 3.78Å; M355-L359 WeakPolarHBondContact O-CB 3.47Å; M355-L359 PolarHBondContact O-N 2.79Å; L359-N361 PolarHBondContact O-N 2.8Å; L359-A364 HydrophobicContact CB-CB 4.28Å; L359-A364 HydrophobicContact CD1-CB 3.81Å; L359-V413 HydrophobicContact CD1-CG1 3.8Å
360Q83.9Confident87.8Confident45 Ų4552.8 Ų52.821%0.2126%0.257CS..  trans5515.7178.5-57.3173.7-0.200114.2Y356 L357 F511 N515Y356-Q360 VanDerWaalsContact O-CA 3.27Å; Y356-Q360 WeakPolarHBondContact O-CA 3.33Å; Y356-Q360 PolarHBondContact O-N 3.24Å; L357-Q360 WeakPolarHBondContact O-CG 3.35Å; Q360-F511 HydrophobicContact CB-CG 4.49Å; Q360-F511 VanDerWaalsContact CD-CB 3.48Å; Q360-F511 HydrophobicContact CG-CB 4.24Å; Q360-F511 HydrophobicContact CG-CD1 3.71Å; Q360-F511 HydrophobicContact CG-CD2 4.32Å; Q360-F511 HydrophobicContact CG-CE1 4.12Å; Q360-F511 HydrophobicContact CG-CG 3.85Å; Q360-N515 PolarHBondContact NE2-OD1 3.07Å; Q360-N515 PolarHBondContact OE1-ND2 3.4Å; Q360-N515 VanDerWaalsContact OE1-ND2 3.13Å
361N82.1Confident87.8Confident51 Ų5147.8 Ų47.827%0.27323%0.232SC..  trans-134.5113.7-175.2-177.2-9.4000108.7L359 R363 A364 T365L359-N361 PolarHBondContact O-N 2.8Å; N361-R363 PolarHBondContact O-N 2.79Å; N361-R363 WeakPolarHBondContact OD1-CB 3.28Å; N361-R363 PolarHBondContact OD1-N 3.47Å; N361-A364 HydrophobicContact CB-CB 4.05Å; N361-A364 PolarHBondContact O-N 3.46Å; N361-T365 PolarHBondContact O-N 3.29Å; N361-T365 PolarHBondContact O-OG1 2.95Å
362F86.4Confident88Confident117 Ų11746.2 Ų46.251%0.51322%0.222SC..Hα-helixtrans-56.6-35.6179.9-174.7-105.3000112.3F352 Y356 T365 I366F352-F362 HydrophobicContact CE2-CE2 4.33Å; F352-F362 AromaticContact CZ-CD2 3.93Å; F352-F362 HydrophobicContact CZ-CD2 3.93Å; F352-F362 AromaticContact CZ-CE2 3.72Å; F352-F362 HydrophobicContact CZ-CE2 3.72Å; Y356-F362 HydrophobicContact CE2-CB 4.19Å; F362-T365 PolarHBondContact O-N 2.9Å; F362-I366 HydrophobicContact CD1-CD1 3.65Å; F362-I366 HydrophobicContact CE1-CD1 3.16Å; F362-I366 HydrophobicContact CE1-CG1 4.2Å; F362-I366 HydrophobicContact CE2-CD1 4.37Å; F362-I366 HydrophobicContact CG-CD1 4.44Å; F362-I366 HydrophobicContact CZ-CD1 3.58Å; F362-I366 HydrophobicContact CZ-CG1 4.27Å; F362-I366 WeakPolarHBondContact O-CG1 3.48Å; F362-I366 PolarHBondContact O-N 2.93Å
363R87.4Confident88Confident108 Ų10846.4 Ų46.441%0.40823%0.228SC..Hα-helixtrans-69.2-42.8-180-67-175.8176.7-146.7-3.9112.4N361 T365 I367 I496 K498N361-R363 PolarHBondContact O-N 2.79Å; N361-R363 WeakPolarHBondContact OD1-CB 3.28Å; N361-R363 PolarHBondContact OD1-N 3.47Å; R363-T365 VanDerWaalsContact C-N 3.3Å; R363-I367 WeakPolarHBondContact O-CG1 3.5Å; R363-I496 HydrophobicContact CB-CG2 3.83Å; R363-I496 HydrophobicContact CG-CG2 4.39Å; R363-K498 VanDerWaalsContact CZ-CE 3.48Å; R363-K498 VanDerWaalsContact NH1-CE 3.31Å
364A86.4Confident88.2Confident0 Ų042 Ų420%021%0.205CC..Hα-helixtrans-68-36.1177.500000110.7L359 N361 I367 P368 V413L359-A364 HydrophobicContact CB-CB 4.28Å; L359-A364 HydrophobicContact CD1-CB 3.81Å; N361-A364 HydrophobicContact CB-CB 4.05Å; N361-A364 PolarHBondContact O-N 3.46Å; A364-I367 PolarHBondContact O-N 3.38Å; A364-P368 WeakPolarHBondContact O-CD 3.38Å; A364-V413 HydrophobicContact CB-CG1 4Å
365T89.8Confident88.4Confident0 Ų038.3 Ų38.30%018%0.183CC..Hα-helixtrans-68.3-36.8178.8-48.70000112.8F352 M355 Y356 N361 F362 R363 I367 P368 T369F352-T365 HydrophobicContact CD2-CG2 3.49Å; F352-T365 VanDerWaalsContact CD2-CG2 3.49Å; F352-T365 HydrophobicContact CE2-CG2 3.48Å; F352-T365 VanDerWaalsContact CE2-CG2 3.48Å; F352-T365 HydrophobicContact CG-CG2 4.07Å; F352-T365 HydrophobicContact CZ-CG2 4.04Å; F352-T365 WeakPolarHBondContact O-CG2 3.42Å; M355-T365 HydrophobicContact CB-CG2 3.82Å; Y356-T365 WeakPolarHBondContact CA-OG1 3.38Å; N361-T365 PolarHBondContact O-N 3.29Å; N361-T365 PolarHBondContact O-OG1 2.95Å; F362-T365 PolarHBondContact O-N 2.9Å; R363-T365 VanDerWaalsContact C-N 3.3Å; T365-I367 PolarHBondContact O-N 3.43Å; T365-P368 WeakPolarHBondContact O-CD 3.4Å; T365-T369 PolarHBondContact O-OG1 3.3Å
366I90.8Very high88.8Confident49 Ų4938.4 Ų38.425%0.25118%0.183SC..Hα-helixtrans-61.6-29.6177.7-84.6171.2000112.4F362 T369 I370F362-I366 HydrophobicContact CD1-CD1 3.65Å; F362-I366 HydrophobicContact CE1-CD1 3.16Å; F362-I366 HydrophobicContact CE1-CG1 4.2Å; F362-I366 HydrophobicContact CE2-CD1 4.37Å; F362-I366 HydrophobicContact CG-CD1 4.44Å; F362-I366 HydrophobicContact CZ-CD1 3.58Å; F362-I366 HydrophobicContact CZ-CG1 4.27Å; F362-I366 WeakPolarHBondContact O-CG1 3.48Å; F362-I366 PolarHBondContact O-N 2.93Å; I366-T369 PolarHBondContact O-N 3.08Å; I366-I370 HydrophobicContact CG2-CD1 3.44Å; I366-I370 VanDerWaalsContact CG2-CD1 3.44Å; I366-I370 HydrophobicContact CG2-CG1 3.95Å; I366-I370 WeakPolarHBondContact O-CG1 3.42Å; I366-I370 PolarHBondContact O-N 3.45Å
367I90Very high89Confident0 Ų036.3 Ų36.30%018%0.178CC..Hα-helixtrans-64-53.8-172.4-64167.9000111.4R363 A364 T365 T369 I370 A371 V413 T489 L492 I496 L497R363-I367 WeakPolarHBondContact O-CG1 3.5Å; A364-I367 PolarHBondContact O-N 3.38Å; T365-I367 PolarHBondContact O-N 3.43Å; I367-T369 VanDerWaalsContact C-N 3.28Å; I367-T369 PolarHBondContact O-N 2.85Å; I367-I370 PolarHBondContact O-N 2.65Å; I367-A371 PolarHBondContact O-N 3.11Å; I367-V413 HydrophobicContact CB-CG2 3.94Å; I367-V413 HydrophobicContact CD1-CG2 4.48Å; I367-V413 HydrophobicContact CG2-CG2 3.6Å; I367-T489 HydrophobicContact CG2-CG2 3.78Å; I367-L492 HydrophobicContact CB-CB 4.5Å; I367-L492 HydrophobicContact CD1-CB 4.48Å; I367-L492 HydrophobicContact CG1-CB 4.09Å; I367-L492 HydrophobicContact CG2-CB 3.81Å; I367-L492 HydrophobicContact CG2-CD1 4.12Å; I367-I496 HydrophobicContact CD1-CB 4.19Å; I367-I496 HydrophobicContact CD1-CG2 4.25Å; I367-I496 HydrophobicContact CG1-CB 4.41Å; I367-I496 HydrophobicContact CG1-CD1 4.39Å; I367-I496 HydrophobicContact CG1-CG2 4.31Å; I367-L497 HydrophobicContact CD1-CD1 3.29Å; I367-L497 HydrophobicContact CD1-CG 4.34Å
368P88.1Confident89.3Confident2 Ų233.4 Ų33.41%0.01316%0.164CC..Hα-helixtrans-62.4-34.4172.4-23.935.9000112.6A364 T365 I370 A371 V372 A409 I410 V413A364-P368 WeakPolarHBondContact O-CD 3.38Å; T365-P368 WeakPolarHBondContact O-CD 3.4Å; P368-I370 VanDerWaalsContact C-N 3.33Å; P368-I370 PolarHBondContact O-N 2.98Å; P368-A371 WeakPolarHBondContact O-CB 3.39Å; P368-A371 PolarHBondContact O-N 2.97Å; P368-V372 WeakPolarHBondContact O-CG2 3.45Å; P368-V372 PolarHBondContact O-N 3.14Å; P368-A409 HydrophobicContact CB-CB 3.99Å; P368-A409 HydrophobicContact CG-CB 4.38Å; P368-I410 HydrophobicContact CB-CG1 4.27Å; P368-I410 HydrophobicContact CG-CG1 4.24Å; P368-V413 HydrophobicContact CG-CG2 4.07Å
369T90.2Very high89.8Confident35 Ų3528.7 Ų28.722%0.21514%0.143CC..Hα-helixtrans-64.7-34.4179.7-530000113.1I348 F352 T365 I366 I367 A371 P373I348-T369 HydrophobicContact CG2-CG2 4.46Å; F352-T369 HydrophobicContact CD2-CG2 4.23Å; F352-T369 WeakPolarHBondContact CD2-OG1 3.44Å; T365-T369 PolarHBondContact O-OG1 3.3Å; I366-T369 PolarHBondContact O-N 3.08Å; I367-T369 VanDerWaalsContact C-N 3.28Å; I367-T369 PolarHBondContact O-N 2.85Å; T369-A371 VanDerWaalsContact C-N 3.32Å; T369-P373 WeakPolarHBondContact O-CD 3.41Å
370I91.5Very high90.4Very high44 Ų4427.7 Ų27.723%0.22614%0.137CC..Hα-helixtrans-70.2-31.8173.5-68.8170.2000111.1W13 I366 I367 P368 V372 P373 V374 L488 L492W13-I370 HydrophobicContact CH2-CD1 4.27Å; W13-I370 HydrophobicContact CH2-CG2 4.17Å; W13-I370 HydrophobicContact CZ3-CG2 4.49Å; I366-I370 HydrophobicContact CG2-CD1 3.44Å; I366-I370 VanDerWaalsContact CG2-CD1 3.44Å; I366-I370 HydrophobicContact CG2-CG1 3.95Å; I366-I370 WeakPolarHBondContact O-CG1 3.42Å; I366-I370 PolarHBondContact O-N 3.45Å; I367-I370 PolarHBondContact O-N 2.65Å; P368-I370 VanDerWaalsContact C-N 3.33Å; P368-I370 PolarHBondContact O-N 2.98Å; I370-V372 VanDerWaalsContact C-N 3.28Å; I370-V372 PolarHBondContact O-N 2.82Å; I370-P373 WeakPolarHBondContact O-CD 3.32Å; I370-V374 VanDerWaalsContact O-CG2 3.31Å; I370-V374 WeakPolarHBondContact O-CG2 3.43Å; I370-L488 HydrophobicContact CG2-CD2 4.22Å; I370-L492 HydrophobicContact CB-CD1 4.34Å; I370-L492 HydrophobicContact CG2-CD1 4.2Å
371A90.1Very high90.9Very high3 Ų326.9 Ų26.93%0.02514%0.138CC..Hα-helixtrans-64.8-33.8178.300000112I367 P368 T369 V374 V375 A409 V484I367-A371 PolarHBondContact O-N 3.11Å; P368-A371 WeakPolarHBondContact O-CB 3.39Å; P368-A371 PolarHBondContact O-N 2.97Å; T369-A371 VanDerWaalsContact C-N 3.32Å; A371-V374 PolarHBondContact O-N 2.82Å; A371-V375 WeakPolarHBondContact O-CG2 3.32Å; A371-V375 PolarHBondContact O-N 2.68Å; A371-A409 HydrophobicContact CB-CB 4.15Å; A371-V484 HydrophobicContact CB-CG1 3.76Å
372V91.4Very high91.5Very high3 Ų326.9 Ų26.92%0.01814%0.137CC..Hα-helixtrans-60.8-55.8-176.1-173.60000113.1I348 P368 I370 V374 V375 I376 I402 L405 V406I348-V372 HydrophobicContact CD1-CG1 3.91Å; I348-V372 HydrophobicContact CG1-CG1 3.85Å; P368-V372 WeakPolarHBondContact O-CG2 3.45Å; P368-V372 PolarHBondContact O-N 3.14Å; I370-V372 VanDerWaalsContact C-N 3.28Å; I370-V372 PolarHBondContact O-N 2.82Å; V372-V374 VanDerWaalsContact C-N 3.25Å; V372-V374 PolarHBondContact O-N 3.43Å; V372-V375 PolarHBondContact O-N 3.41Å; V372-I376 HydrophobicContact CG1-CD1 3.52Å; V372-I376 HydrophobicContact CG1-CG1 4.18Å; V372-I376 WeakPolarHBondContact O-CB 3.49Å; V372-I376 VanDerWaalsContact O-CG1 3.31Å; V372-I376 WeakPolarHBondContact O-CG1 3.27Å; V372-I376 PolarHBondContact O-N 3.33Å; V372-I402 HydrophobicContact CG1-CG1 4.24Å; V372-L405 HydrophobicContact CB-CD1 3.98Å; V372-L405 HydrophobicContact CG1-CD1 3.97Å; V372-L405 HydrophobicContact CG1-CD2 4.49Å; V372-L405 HydrophobicContact CG2-CD1 3.68Å; V372-V406 HydrophobicContact CG2-CG1 3.27Å
373P91.5Very high91.9Very high51 Ų5121.3 Ų21.333%0.33111%0.113SC..Hα-helixtrans-58.7-35.9176.3-24.934.1000113.3T369 I370 L377T369-P373 WeakPolarHBondContact O-CD 3.41Å; I370-P373 WeakPolarHBondContact O-CD 3.32Å; P373-L377 VanDerWaalsContact O-CB 3.23Å; P373-L377 WeakPolarHBondContact O-CB 3.31Å; P373-L377 VanDerWaalsContact O-CG 3.23Å; P373-L377 WeakPolarHBondContact O-CG 3.42Å; P373-L377 PolarHBondContact O-N 3.45Å
374V94.6Very high92.1Very high0 Ų018.6 Ų18.60%011%0.11CC..Hα-helixtrans-64.1-46-179.8177.60000110.9A16 M19 M20 I370 A371 V372 G378 V484 L488A16-V374 HydrophobicContact CB-CG1 3.99Å; A16-V374 HydrophobicContact CB-CG2 4.1Å; M19-V374 HydrophobicContact CB-CG1 4.41Å; M19-V374 HydrophobicContact CE-CG1 3.77Å; M20-V374 HydrophobicContact CE-CG2 4.23Å; M20-V374 HydrophobicContact CG-CB 4.27Å; M20-V374 HydrophobicContact CG-CG2 3.87Å; M20-V374 HydrophobicContact SD-CG2 3.68Å; I370-V374 VanDerWaalsContact O-CG2 3.31Å; I370-V374 WeakPolarHBondContact O-CG2 3.43Å; A371-V374 PolarHBondContact O-N 2.82Å; V372-V374 VanDerWaalsContact C-N 3.25Å; V372-V374 PolarHBondContact O-N 3.43Å; V374-G378 PolarHBondContact O-N 2.95Å; V374-V484 HydrophobicContact CG1-CG2 3.87Å; V374-L488 HydrophobicContact CG2-CD2 4.2Å
375V94.6Very high92.4Very high2 Ų222.9 Ų22.91%0.01215%0.146CC..Hα-helixtrans-70.4-43.4179.8175.30000111.3A371 V372 G378 T379 L405 S477 L480 V484A371-V375 WeakPolarHBondContact O-CG2 3.32Å; A371-V375 PolarHBondContact O-N 2.68Å; V372-V375 PolarHBondContact O-N 3.41Å; V375-G378 PolarHBondContact O-N 2.89Å; V375-T379 WeakPolarHBondContact O-CB 3.24Å; V375-T379 PolarHBondContact O-N 3.45Å; V375-T379 PolarHBondContact O-OG1 2.96Å; V375-L405 HydrophobicContact CB-CD1 4.5Å; V375-L405 HydrophobicContact CB-CD2 4.34Å; V375-L405 HydrophobicContact CG1-CB 4.22Å; V375-L405 HydrophobicContact CG1-CD2 3.98Å; V375-S477 WeakPolarHBondContact CG1-O 3.25Å; V375-L480 HydrophobicContact CG1-CB 4.04Å; V375-V484 HydrophobicContact CG2-CB 4.11Å; V375-V484 HydrophobicContact CG2-CG1 4.45Å; V375-V484 HydrophobicContact CG2-CG2 3.86Å
376I92.9Very high92.5Very high13 Ų1326.4 Ų26.47%0.06717%0.167CC..Hα-helixtrans-61.3-52.4178.6-71.6179000110.3L344 I348 V372 G378 T379 F380 M398 I402 L405L344-I376 HydrophobicContact CD1-CD1 4.42Å; L344-I376 HydrophobicContact CD2-CD1 4.01Å; L344-I376 HydrophobicContact CG-CD1 4.38Å; I348-I376 HydrophobicContact CD1-CD1 4.36Å; V372-I376 HydrophobicContact CG1-CD1 3.52Å; V372-I376 HydrophobicContact CG1-CG1 4.18Å; V372-I376 WeakPolarHBondContact O-CB 3.49Å; V372-I376 VanDerWaalsContact O-CG1 3.31Å; V372-I376 WeakPolarHBondContact O-CG1 3.27Å; V372-I376 PolarHBondContact O-N 3.33Å; I376-G378 VanDerWaalsContact C-N 3.34Å; I376-G378 PolarHBondContact O-N 3.01Å; I376-T379 WeakPolarHBondContact O-CB 3.17Å; I376-T379 PolarHBondContact O-N 3.49Å; I376-T379 VanDerWaalsContact O-N 3.08Å; I376-F380 HydrophobicContact CG2-CD2 4.22Å; I376-F380 HydrophobicContact CG2-CE2 3.84Å; I376-F380 WeakPolarHBondContact O-CD2 3.28Å; I376-F380 PolarHBondContact O-N 2.98Å; I376-F380 VanDerWaalsContact O-N 3.08Å; I376-M398 HydrophobicContact CB-CE 4.06Å; I376-M398 HydrophobicContact CG1-CE 4.43Å; I376-M398 HydrophobicContact CG2-CE 3.42Å; I376-M398 VanDerWaalsContact CG2-CE 3.42Å; I376-M398 WeakPolarHBondContact O-CE 3.17Å; I376-I402 HydrophobicContact CD1-CD1 3.93Å; I376-I402 HydrophobicContact CD1-CG1 3.86Å; I376-L405 HydrophobicContact CG1-CD2 4.29Å
377L93.8Very high92.3Very high40 Ų4026.9 Ų26.921%0.20918%0.184CC..Hα-helixtrans-62.3-43.4178-69.6172.7000111M20 G23 I27 P373 T379 F380 A381M20-L377 HydrophobicContact CB-CD1 3.77Å; M20-L377 HydrophobicContact CG-CB 4.42Å; M20-L377 HydrophobicContact CG-CD1 3.76Å; M20-L377 HydrophobicContact SD-CD1 4.31Å; G23-L377 WeakPolarHBondContact CA-O 3.42Å; I27-L377 HydrophobicContact CD1-CD2 3.48Å; I27-L377 VanDerWaalsContact CD1-CD2 3.48Å; P373-L377 VanDerWaalsContact O-CB 3.23Å; P373-L377 WeakPolarHBondContact O-CB 3.31Å; P373-L377 VanDerWaalsContact O-CG 3.23Å; P373-L377 WeakPolarHBondContact O-CG 3.42Å; P373-L377 PolarHBondContact O-N 3.45Å; L377-T379 PolarHBondContact O-N 3.27Å; L377-F380 WeakPolarHBondContact O-CB 3.34Å; L377-F380 PolarHBondContact O-N 3.09Å; L377-F380 VanDerWaalsContact O-N 3.15Å; L377-A381 PolarHBondContact O-N 3.44Å; L377-A381 VanDerWaalsContact O-N 3.13Å
378G94.5Very high92.3Very high4 Ų428 Ų284%0.04119%0.189CC..Hα-helixtrans-58.1-36.3173.900000112.9V374 V375 I376 A381 I382V374-G378 PolarHBondContact O-N 2.95Å; V375-G378 PolarHBondContact O-N 2.89Å; I376-G378 VanDerWaalsContact C-N 3.34Å; I376-G378 PolarHBondContact O-N 3.01Å; G378-A381 WeakPolarHBondContact O-CB 3.44Å; G378-A381 PolarHBondContact O-N 3.25Å; G378-I382 PolarHBondContact O-N 2.85Å; G378-I382 VanDerWaalsContact O-N 3.14Å
379T94.5Very high92.3Very high0 Ų029.2 Ų29.20%020%0.197CC..Hα-helixtrans-66.9-41.2177.6-56.10000110.7V375 I376 L377 A381 I382 L383 M398 T473 S477 L480V375-T379 WeakPolarHBondContact O-CB 3.24Å; V375-T379 PolarHBondContact O-N 3.45Å; V375-T379 PolarHBondContact O-OG1 2.96Å; I376-T379 WeakPolarHBondContact O-CB 3.17Å; I376-T379 PolarHBondContact O-N 3.49Å; I376-T379 VanDerWaalsContact O-N 3.08Å; L377-T379 PolarHBondContact O-N 3.27Å; T379-A381 VanDerWaalsContact C-N 3.26Å; T379-A381 PolarHBondContact O-N 3.31Å; T379-I382 PolarHBondContact O-N 2.99Å; T379-L383 HydrophobicContact CG2-CD1 4.46Å; T379-L383 HydrophobicContact CG2-CG 4.41Å; T379-L383 WeakPolarHBondContact O-CG 3.43Å; T379-L383 PolarHBondContact O-N 2.85Å; T379-M398 HydrophobicContact CG2-CE 4.43Å; T379-M398 HydrophobicContact CG2-SD 3.56Å; T379-M398 VanDerWaalsContact CG2-SD 3.56Å; T379-T473 HydrophobicContact CG2-CG2 4.13Å; T379-S477 WeakPolarHBondContact OG1-CA 3.45Å; T379-L480 VanDerWaalsContact N-CD1 3.33Å
380F94.4Very high92.3Very high15 Ų1528.1 Ų28.17%0.06619%0.189CC..Hα-helixtrans-59.2-36.2171.9-75.8-64.7000113I27 L30 I376 L377 I382 L383 S384 I390 M395 M398I27-F380 HydrophobicContact CD1-CB 4.46Å; I27-F380 HydrophobicContact CD1-CD2 3.6Å; I27-F380 HydrophobicContact CD1-CE2 3.93Å; I27-F380 HydrophobicContact CD1-CG 4.07Å; I27-F380 HydrophobicContact CG1-CB 3.93Å; I27-F380 HydrophobicContact CG1-CD1 4.12Å; I27-F380 HydrophobicContact CG1-CD2 3.77Å; I27-F380 HydrophobicContact CG1-CE2 4.24Å; I27-F380 HydrophobicContact CG1-CG 3.68Å; L30-F380 HydrophobicContact CD1-CB 4.31Å; L30-F380 HydrophobicContact CD1-CD1 3.95Å; I376-F380 HydrophobicContact CG2-CD2 4.22Å; I376-F380 HydrophobicContact CG2-CE2 3.84Å; I376-F380 WeakPolarHBondContact O-CD2 3.28Å; I376-F380 PolarHBondContact O-N 2.98Å; I376-F380 VanDerWaalsContact O-N 3.08Å; L377-F380 WeakPolarHBondContact O-CB 3.34Å; L377-F380 PolarHBondContact O-N 3.09Å; L377-F380 VanDerWaalsContact O-N 3.15Å; F380-I382 VanDerWaalsContact C-N 3.33Å; F380-I382 PolarHBondContact O-N 3.32Å; F380-L383 HydrophobicContact CD1-CD1 4.17Å; F380-L383 PolarHBondContact O-N 3.4Å; F380-S384 WeakPolarHBondContact O-CB 3.38Å; F380-S384 PolarHBondContact O-N 3.03Å; F380-I390 HydrophobicContact CD1-CD1 4.43Å; F380-I390 HydrophobicContact CD1-CG1 4.29Å; F380-I390 HydrophobicContact CE1-CD1 4.12Å; F380-I390 HydrophobicContact CE1-CG1 3.94Å; F380-M395 HydrophobicContact CE1-SD 4.13Å; F380-M395 HydrophobicContact CZ-SD 3.8Å; F380-M398 HydrophobicContact CD1-CE 4.4Å; F380-M398 HydrophobicContact CD2-CE 3.61Å; F380-M398 HydrophobicContact CE1-CE 4.12Å; F380-M398 HydrophobicContact CE2-CE 3.3Å; F380-M398 HydrophobicContact CG-CE 4.17Å; F380-M398 HydrophobicContact CZ-CE 3.59Å
381A94.7Very high92.2Very high27 Ų2726 Ų2622%0.22318%0.179CC..Hα-helixtrans-62.8-40.6174.100000111.9A22 L377 G378 T379 S384 A385A22-A381 HydrophobicContact CB-CB 3.99Å; L377-A381 PolarHBondContact O-N 3.44Å; L377-A381 VanDerWaalsContact O-N 3.13Å; G378-A381 WeakPolarHBondContact O-CB 3.44Å; G378-A381 PolarHBondContact O-N 3.25Å; T379-A381 VanDerWaalsContact C-N 3.26Å; T379-A381 PolarHBondContact O-N 3.31Å; A381-S384 PolarHBondContact O-N 3.48Å; A381-A385 WeakPolarHBondContact O-CB 3.2Å; A381-A385 PolarHBondContact O-N 2.85Å
382I94.7Very high92Very high52 Ų5226.3 Ų26.327%0.26718%0.18SC..Hα-helixtrans-68.5-43175.9-63.2173.6000111G378 T379 F380 S384 A385 V386 S476 L480G378-I382 PolarHBondContact O-N 2.85Å; G378-I382 VanDerWaalsContact O-N 3.14Å; T379-I382 PolarHBondContact O-N 2.99Å; F380-I382 VanDerWaalsContact C-N 3.33Å; F380-I382 PolarHBondContact O-N 3.32Å; I382-S384 VanDerWaalsContact C-N 3.27Å; I382-S384 PolarHBondContact O-N 3.47Å; I382-A385 PolarHBondContact O-N 3.27Å; I382-A385 VanDerWaalsContact O-N 3.09Å; I382-V386 HydrophobicContact CG2-CG2 4.22Å; I382-V386 WeakPolarHBondContact O-CG2 3.34Å; I382-V386 PolarHBondContact O-N 3.5Å; I382-S476 WeakPolarHBondContact CG2-OG 3.37Å; I382-L480 HydrophobicContact CD1-CD1 3.57Å; I382-L480 HydrophobicContact CD1-CD2 4.28Å; I382-L480 HydrophobicContact CD1-CG 3.86Å; I382-L480 HydrophobicContact CG1-CD1 4.42Å
383L93.7Very high91.9Very high0 Ų027.1 Ų27.10%018%0.184CC..Hα-helixtrans-57.6-43.3176.1-67.7177.1000111.1T379 F380 V386 G387 F388 T394T379-L383 HydrophobicContact CG2-CD1 4.46Å; T379-L383 HydrophobicContact CG2-CG 4.41Å; T379-L383 WeakPolarHBondContact O-CG 3.43Å; T379-L383 PolarHBondContact O-N 2.85Å; F380-L383 HydrophobicContact CD1-CD1 4.17Å; F380-L383 PolarHBondContact O-N 3.4Å; L383-V386 PolarHBondContact O-N 3.3Å; L383-G387 PolarHBondContact O-N 2.85Å; L383-G387 VanDerWaalsContact O-N 3.08Å; L383-F388 HydrophobicContact CB-CB 4.26Å; L383-F388 HydrophobicContact CD2-CB 4.08Å; L383-F388 HydrophobicContact CD2-CD2 3.87Å; L383-F388 HydrophobicContact CD2-CG 4.43Å; L383-F388 PolarHBondContact O-N 3.41Å; L383-T394 HydrophobicContact CD2-CG2 4.49Å
384S92.5Very high91.9Very high50 Ų5024.7 Ų24.735%0.3517%0.169SC..Hα-helixtrans-63.7-41.1174.3178.70000112.7F380 A381 I382 V386 G387F380-S384 WeakPolarHBondContact O-CB 3.38Å; F380-S384 PolarHBondContact O-N 3.03Å; A381-S384 PolarHBondContact O-N 3.48Å; I382-S384 VanDerWaalsContact C-N 3.27Å; I382-S384 PolarHBondContact O-N 3.47Å; S384-V386 VanDerWaalsContact C-N 3.3Å; S384-V386 PolarHBondContact O-N 3.47Å; S384-G387 PolarHBondContact O-N 3.27Å; S384-G387 VanDerWaalsContact O-N 3.14Å
385A92.9Very high91.7Very high90 Ų9025 Ų2574%0.74417%0.17SC*.Hα-helixtrans-65.5-31.8177.900000113.3A381 I382 G387A381-A385 WeakPolarHBondContact O-CB 3.2Å; A381-A385 PolarHBondContact O-N 2.85Å; I382-A385 PolarHBondContact O-N 3.27Å; I382-A385 VanDerWaalsContact O-N 3.09Å; A385-G387 VanDerWaalsContact C-N 3.33Å
386V91.2Very high91.3Very high74 Ų7429.8 Ų29.845%0.44819%0.191SC..Hα-helixtrans-84.3-10.7176.7-179.50000111.9I382 L383 S384 F388 I472I382-V386 HydrophobicContact CG2-CG2 4.22Å; I382-V386 WeakPolarHBondContact O-CG2 3.34Å; I382-V386 PolarHBondContact O-N 3.5Å; L383-V386 PolarHBondContact O-N 3.3Å; S384-V386 VanDerWaalsContact C-N 3.3Å; S384-V386 PolarHBondContact O-N 3.47Å; V386-F388 HydrophobicContact CG1-CD1 3.93Å; V386-F388 HydrophobicContact CG1-CE1 3.84Å; V386-F388 HydrophobicContact CG1-CG 4.38Å; V386-F388 HydrophobicContact CG1-CZ 4.2Å; V386-I472 HydrophobicContact CG1-CD1 4.34Å
387G87.5Confident91.1Very high60 Ų6029.1 Ų29.162%0.61919%0.187SC*.THydrogen-bonded Turntrans80.624.7-178.700000113.9L383 S384 A385L383-G387 PolarHBondContact O-N 2.85Å; L383-G387 VanDerWaalsContact O-N 3.08Å; S384-G387 PolarHBondContact O-N 3.27Å; S384-G387 VanDerWaalsContact O-N 3.14Å; A385-G387 VanDerWaalsContact C-N 3.33Å
388F89.7Confident90.9Very high23 Ų2327.3 Ų27.310%0.10118%0.178CC..  trans-82.9168175.8-77.89.4000111.6L30 L383 V386 R468 I472L30-F388 WeakPolarHBondContact CD2-O 3.36Å; L383-F388 HydrophobicContact CB-CB 4.26Å; L383-F388 HydrophobicContact CD2-CB 4.08Å; L383-F388 HydrophobicContact CD2-CD2 3.87Å; L383-F388 HydrophobicContact CD2-CG 4.43Å; L383-F388 PolarHBondContact O-N 3.41Å; V386-F388 HydrophobicContact CG1-CD1 3.93Å; V386-F388 HydrophobicContact CG1-CE1 3.84Å; V386-F388 HydrophobicContact CG1-CG 4.38Å; V386-F388 HydrophobicContact CG1-CZ 4.2Å; F388-R468 HydrophobicContact CE2-CG 4.44Å; F388-R468 HydrophobicContact CZ-CG 3.88Å; F388-I472 HydrophobicContact CD2-CG2 4.46Å; F388-I472 HydrophobicContact CE2-CB 3.86Å; F388-I472 HydrophobicContact CE2-CD1 3.73Å; F388-I472 HydrophobicContact CE2-CG1 4.21Å; F388-I472 HydrophobicContact CE2-CG2 4.13Å; F388-I472 HydrophobicContact CZ-CD1 3.64Å
389T88.2Confident90.6Very high27 Ų2728.6 Ų28.617%0.16619%0.185CC..  trans-113.1159.2-177.660.90000111.1P31 N391 T394P31-T389 HydrophobicContact CB-CG2 3.84Å; P31-T389 HydrophobicContact CG-CG2 4.12Å; P31-T389 WeakPolarHBondContact O-CA 3.49Å; P31-T389 VanDerWaalsContact O-CB 3.24Å; P31-T389 WeakPolarHBondContact O-CB 3.22Å; T389-N391 PolarHBondContact O-N 3.35Å; T389-N391 PolarHBondContact O-ND2 3.48Å; T389-N391 PolarHBondContact OG1-ND2 2.82Å; T389-T394 PolarHBondContact O-OG1 3.23Å
390I89.9Confident90.4Very high13 Ų1333.4 Ų33.47%0.06721%0.21CC..BIsolated β-bridgetrans-77109.5165.4-59.9176.1000106.3I27 L30 P31 V32 A33 F380 M395I27-I390 HydrophobicContact CG2-CD1 4.45Å; L30-I390 HydrophobicContact CB-CD1 3.9Å; L30-I390 HydrophobicContact CB-CG1 3.91Å; L30-I390 HydrophobicContact CD1-CD1 4.19Å; L30-I390 HydrophobicContact CD1-CG1 4Å; P31-I390 PolarHBondContact O-N 3.15Å; V32-I390 WeakPolarHBondContact CA-O 3.36Å; V32-I390 HydrophobicContact CG2-CB 4.33Å; A33-I390 PolarHBondContact N-O 2.78Å; A33-I390 VanDerWaalsContact O-O 3.12Å; F380-I390 HydrophobicContact CD1-CD1 4.43Å; F380-I390 HydrophobicContact CD1-CG1 4.29Å; F380-I390 HydrophobicContact CE1-CD1 4.12Å; F380-I390 HydrophobicContact CE1-CG1 3.94Å; I390-M395 HydrophobicContact CG2-CG 3.96Å; I390-M395 HydrophobicContact CG2-SD 4Å
391N88.6Confident90Very high0 Ų032.8 Ų32.80%021%0.207CC..  trans-142.4171.2-179.264.460.2000111.2A33 T389 L393 T394 M395 Q469A33-N391 WeakPolarHBondContact O-CA 3.42Å; A33-N391 WeakPolarHBondContact O-CB 3.25Å; T389-N391 PolarHBondContact O-N 3.35Å; T389-N391 PolarHBondContact O-ND2 3.48Å; T389-N391 PolarHBondContact OG1-ND2 2.82Å; N391-L393 PolarHBondContact O-N 3.37Å; N391-L393 WeakPolarHBondContact OD1-CA 3.36Å; N391-L393 WeakPolarHBondContact OD1-CB 3.46Å; N391-L393 PolarHBondContact OD1-N 2.6Å; N391-T394 PolarHBondContact N-OG1 2.93Å; N391-T394 PolarHBondContact O-N 3.02Å; N391-T394 PolarHBondContact O-OG1 3.44Å; N391-T394 VanDerWaalsContact O-OG1 3.13Å; N391-T394 PolarHBondContact OD1-N 3.37Å; N391-T394 PolarHBondContact OD1-OG1 3.46Å; N391-M395 VanDerWaalsContact O-CB 3.32Å; N391-M395 WeakPolarHBondContact O-CB 3.43Å; N391-M395 VanDerWaalsContact O-CG 3.24Å; N391-M395 WeakPolarHBondContact O-CG 3.47Å; N391-M395 PolarHBondContact O-N 3.17Å; N391-Q469 PolarHBondContact ND2-OE1 2.98Å
392T86.5Confident89.6Confident8 Ų831.6 Ų31.65%0.04920%0.197CC..Hα-helixtrans-57.2-37.4-176.4-570000111.6Q34 F396Q34-T392 WeakPolarHBondContact O-CB 3.33Å; Q34-T392 PolarHBondContact O-N 3.12Å; Q34-T392 PolarHBondContact O-OG1 3.36Å; Q34-T392 VanDerWaalsContact O-OG1 3.08Å; T392-F396 HydrophobicContact CG2-CD2 4.11Å; T392-F396 HydrophobicContact CG2-CE1 4.23Å; T392-F396 HydrophobicContact CG2-CE2 3.72Å; T392-F396 HydrophobicContact CG2-CZ 3.79Å; T392-F396 WeakPolarHBondContact O-CB 3.24Å; T392-F396 VanDerWaalsContact O-CG 3.26Å; T392-F396 WeakPolarHBondContact O-CG 3.44Å; T392-F396 PolarHBondContact O-N 2.95Å
393L88.3Confident88.9Confident20 Ų2031.6 Ų31.611%0.10521%0.21CC..Hα-helixtrans-73-44.5-178.8-58.2175000112.8Y35 P36 N391 M395 F396 G397 I466 Q469Y35-L393 HydrophobicContact CD1-CD1 4.01Å; Y35-L393 HydrophobicContact CD1-CD2 4.46Å; Y35-L393 HydrophobicContact CD1-CG 3.98Å; Y35-L393 HydrophobicContact CE1-CD1 4.48Å; Y35-L393 HydrophobicContact CE1-CD2 4.14Å; Y35-L393 HydrophobicContact CE1-CG 4.13Å; P36-L393 HydrophobicContact CG-CD1 4.07Å; N391-L393 PolarHBondContact O-N 3.37Å; N391-L393 WeakPolarHBondContact OD1-CA 3.36Å; N391-L393 WeakPolarHBondContact OD1-CB 3.46Å; N391-L393 PolarHBondContact OD1-N 2.6Å; L393-M395 VanDerWaalsContact C-N 3.32Å; L393-F396 PolarHBondContact O-N 3.31Å; L393-G397 PolarHBondContact O-N 2.83Å; L393-I466 HydrophobicContact CD1-CB 4.05Å; L393-I466 HydrophobicContact CD1-CG1 4.02Å; L393-I466 HydrophobicContact CD1-CG2 3.73Å; L393-I466 HydrophobicContact CD2-CG2 4.2Å; L393-Q469 HydrophobicContact CB-CB 4.09Å
394T92.2Very high88.5Confident1 Ų134.5 Ų34.51%0.00623%0.226CC..Hα-helixtrans-65.6-39.1175.753.20000110.5L383 T389 N391 G397 M398 Q469L383-T394 HydrophobicContact CD2-CG2 4.49Å; T389-T394 PolarHBondContact O-OG1 3.23Å; N391-T394 PolarHBondContact N-OG1 2.93Å; N391-T394 PolarHBondContact O-N 3.02Å; N391-T394 PolarHBondContact O-OG1 3.44Å; N391-T394 VanDerWaalsContact O-OG1 3.13Å; N391-T394 PolarHBondContact OD1-N 3.37Å; N391-T394 PolarHBondContact OD1-OG1 3.46Å; T394-G397 PolarHBondContact O-N 3.11Å; T394-M398 VanDerWaalsContact O-CG 3.24Å; T394-M398 WeakPolarHBondContact O-CG 3.36Å; T394-M398 PolarHBondContact O-N 2.99Å; T394-Q469 HydrophobicContact CG2-CB 3.96Å; T394-Q469 HydrophobicContact CG2-CG 4.4Å
395M90Very high88.2Confident7 Ų732.2 Ų32.23%0.03421%0.209CC..Hα-helixtrans-69-37.9176.7-67.8-65.4-66.600112.8V340 L344 F380 I390 N391 L393 M398 V399V340-M395 HydrophobicContact CB-CB 4.3Å; V340-M395 HydrophobicContact CG1-CB 3.57Å; V340-M395 HydrophobicContact CG1-CE 4.03Å; L344-M395 HydrophobicContact CD1-CE 4.26Å; F380-M395 HydrophobicContact CE1-SD 4.13Å; F380-M395 HydrophobicContact CZ-SD 3.8Å; I390-M395 HydrophobicContact CG2-CG 3.96Å; I390-M395 HydrophobicContact CG2-SD 4Å; N391-M395 VanDerWaalsContact O-CB 3.32Å; N391-M395 WeakPolarHBondContact O-CB 3.43Å; N391-M395 VanDerWaalsContact O-CG 3.24Å; N391-M395 WeakPolarHBondContact O-CG 3.47Å; N391-M395 PolarHBondContact O-N 3.17Å; L393-M395 VanDerWaalsContact C-N 3.32Å; M395-M398 WeakPolarHBondContact O-CB 3.37Å; M395-M398 PolarHBondContact O-N 3.06Å; M395-V399 WeakPolarHBondContact O-CG2 3.4Å; M395-V399 PolarHBondContact O-N 3.17Å
396F86.9Confident87.9Confident101 Ų10128.3 Ų28.344%0.44318%0.176SC..Hα-helixtrans-63.5-41.7170.2-77.5-10.6000112.4V340 T392 L393 M398 V399 L400V340-F396 HydrophobicContact CG2-CD1 4.22Å; V340-F396 HydrophobicContact CG2-CE1 3.84Å; T392-F396 HydrophobicContact CG2-CD2 4.11Å; T392-F396 HydrophobicContact CG2-CE1 4.23Å; T392-F396 HydrophobicContact CG2-CE2 3.72Å; T392-F396 HydrophobicContact CG2-CZ 3.79Å; T392-F396 WeakPolarHBondContact O-CB 3.24Å; T392-F396 VanDerWaalsContact O-CG 3.26Å; T392-F396 WeakPolarHBondContact O-CG 3.44Å; T392-F396 PolarHBondContact O-N 2.95Å; L393-F396 PolarHBondContact O-N 3.31Å; F396-M398 VanDerWaalsContact C-N 3.26Å; F396-M398 PolarHBondContact O-N 2.84Å; F396-V399 PolarHBondContact O-N 3.45Å; F396-L400 WeakPolarHBondContact O-CG 3.13Å; F396-L400 PolarHBondContact O-N 2.83Å
397G89.3Confident87.8Confident0 Ų028.2 Ų28.20%017%0.173CC..Hα-helixtrans-55.7-42.7171.500000111.8L393 T394 A401L393-G397 PolarHBondContact O-N 2.83Å; T394-G397 PolarHBondContact O-N 3.11Å; G397-A401 VanDerWaalsContact O-CB 3.28Å; G397-A401 WeakPolarHBondContact O-CB 3.41Å; G397-A401 PolarHBondContact O-N 3.28Å
398M89.3Confident87.9Confident1 Ų125.6 Ų25.61%0.00515%0.145CC..Hα-helixtrans-65.8-43.7176.5-70.6-78.7-95.500113.1I376 T379 F380 T394 M395 F396 A401 I402 T473I376-M398 HydrophobicContact CB-CE 4.06Å; I376-M398 HydrophobicContact CG1-CE 4.43Å; I376-M398 HydrophobicContact CG2-CE 3.42Å; I376-M398 VanDerWaalsContact CG2-CE 3.42Å; I376-M398 WeakPolarHBondContact O-CE 3.17Å; T379-M398 HydrophobicContact CG2-CE 4.43Å; T379-M398 HydrophobicContact CG2-SD 3.56Å; T379-M398 VanDerWaalsContact CG2-SD 3.56Å; F380-M398 HydrophobicContact CD1-CE 4.4Å; F380-M398 HydrophobicContact CD2-CE 3.61Å; F380-M398 HydrophobicContact CE1-CE 4.12Å; F380-M398 HydrophobicContact CE2-CE 3.3Å; F380-M398 HydrophobicContact CG-CE 4.17Å; F380-M398 HydrophobicContact CZ-CE 3.59Å; T394-M398 VanDerWaalsContact O-CG 3.24Å; T394-M398 WeakPolarHBondContact O-CG 3.36Å; T394-M398 PolarHBondContact O-N 2.99Å; M395-M398 WeakPolarHBondContact O-CB 3.37Å; M395-M398 PolarHBondContact O-N 3.06Å; F396-M398 VanDerWaalsContact C-N 3.26Å; F396-M398 PolarHBondContact O-N 2.84Å; M398-A401 WeakPolarHBondContact O-CB 3.4Å; M398-A401 PolarHBondContact O-N 3.36Å; M398-I402 PolarHBondContact O-N 3.42Å; M398-I402 VanDerWaalsContact O-N 3.12Å; M398-T473 HydrophobicContact CG-CG2 3.62Å; M398-T473 HydrophobicContact SD-CG2 3.92Å
399V88.4Confident87.9Confident32 Ų3224.6 Ų24.619%0.19414%0.141CC..Hα-helixtrans-63.7-43.4178171.50000110.8V340 T343 L344 M395 F396 A401 I402V340-V399 HydrophobicContact CG1-CG2 3.76Å; T343-V399 HydrophobicContact CG2-CG1 4.22Å; L344-V399 HydrophobicContact CB-CG2 4.36Å; M395-V399 WeakPolarHBondContact O-CG2 3.4Å; M395-V399 PolarHBondContact O-N 3.17Å; F396-V399 PolarHBondContact O-N 3.45Å; V399-A401 VanDerWaalsContact C-N 3.31Å; V399-A401 PolarHBondContact O-N 3.35Å; V399-I402 WeakPolarHBondContact O-CB 3.38Å; V399-I402 PolarHBondContact O-N 3.24Å
400L88.7Confident88Confident101 Ų10124.6 Ų24.653%0.52914%0.14SC..Hα-helixtrans-66.9-35.1175.1-71.8169.4000112F396 I402 G403 F470F396-L400 WeakPolarHBondContact O-CG 3.13Å; F396-L400 PolarHBondContact O-N 2.83Å; L400-I402 PolarHBondContact O-N 3.32Å; L400-G403 PolarHBondContact O-N 2.93Å; L400-F470 HydrophobicContact CD1-CE2 3.63Å; L400-F470 HydrophobicContact CD1-CZ 3.4Å
401A87.3Confident88.1Confident1 Ų125.9 Ų25.91%0.00815%0.148CC..Hα-helixtrans-61-30.6173.900000112.6G397 M398 V399 G403 L404 L405 L474 S477 M478G397-A401 VanDerWaalsContact O-CB 3.28Å; G397-A401 WeakPolarHBondContact O-CB 3.41Å; G397-A401 PolarHBondContact O-N 3.28Å; M398-A401 WeakPolarHBondContact O-CB 3.4Å; M398-A401 PolarHBondContact O-N 3.36Å; V399-A401 VanDerWaalsContact C-N 3.31Å; V399-A401 PolarHBondContact O-N 3.35Å; A401-G403 VanDerWaalsContact C-N 3.31Å; A401-G403 PolarHBondContact O-N 3.43Å; A401-L404 CarbonylContact O-C 3.29Å; A401-L404 PolarHBondContact O-N 3.04Å; A401-L405 HydrophobicContact CB-CD2 4.38Å; A401-L405 WeakPolarHBondContact O-CB 3.34Å; A401-L405 WeakPolarHBondContact O-CD2 3.06Å; A401-L405 WeakPolarHBondContact O-CG 3.13Å; A401-L405 PolarHBondContact O-N 3.5Å; A401-L474 HydrophobicContact CB-CD2 3.92Å; A401-S477 VanDerWaalsContact CB-OG 3.23Å; A401-S477 WeakPolarHBondContact CB-OG 3.41Å; A401-M478 HydrophobicContact CB-CE 4.25Å
402I84.9Confident88.2Confident2 Ų225.9 Ų25.91%0.0115%0.148CC..Hα-helixtrans-56.4-45.4-179.1-73168.6000111.9L344 A347 I348 V351 V372 I376 M398 V399 L400 L404 L405 V406L344-I402 HydrophobicContact CB-CD1 4.49Å; L344-I402 HydrophobicContact CD2-CD1 4.13Å; L344-I402 HydrophobicContact CG-CD1 3.72Å; A347-I402 HydrophobicContact CB-CD1 4.25Å; A347-I402 HydrophobicContact CB-CG2 4.41Å; I348-I402 HydrophobicContact CG1-CD1 4.22Å; V351-I402 HydrophobicContact CG2-CG2 4.21Å; V372-I402 HydrophobicContact CG1-CG1 4.24Å; I376-I402 HydrophobicContact CD1-CD1 3.93Å; I376-I402 HydrophobicContact CD1-CG1 3.86Å; M398-I402 PolarHBondContact O-N 3.42Å; M398-I402 VanDerWaalsContact O-N 3.12Å; V399-I402 WeakPolarHBondContact O-CB 3.38Å; V399-I402 PolarHBondContact O-N 3.24Å; L400-I402 PolarHBondContact O-N 3.32Å; I402-L404 VanDerWaalsContact C-N 3.26Å; I402-L404 PolarHBondContact O-N 3.02Å; I402-L405 HydrophobicContact CG1-CD2 4.35Å; I402-V406 WeakPolarHBondContact O-CG2 3.42Å; I402-V406 PolarHBondContact O-N 3.21Å
403G81.6Confident88.4Confident52 Ų5225.5 Ų25.554%0.53615%0.146SC..Hα-helixtrans-66.6-30.7179.100000112.8L400 A401 V406L400-G403 PolarHBondContact O-N 2.93Å; A401-G403 VanDerWaalsContact C-N 3.31Å; A401-G403 PolarHBondContact O-N 3.43Å; G403-V406 WeakPolarHBondContact O-CG2 3.49Å
404L85.4Confident88.4Confident62 Ų6230.1 Ų30.133%0.32517%0.167SC..Hα-helixtrans-85-38.3-178.3-64.7172.6000112.6A401 I402 V406 D407 L449 L474 M478A401-L404 CarbonylContact O-C 3.29Å; A401-L404 PolarHBondContact O-N 3.04Å; I402-L404 VanDerWaalsContact C-N 3.26Å; I402-L404 PolarHBondContact O-N 3.02Å; L404-V406 VanDerWaalsContact C-N 3.34Å; L404-V406 PolarHBondContact O-N 3.08Å; L404-D407 WeakPolarHBondContact O-CB 3.33Å; L404-D407 PolarHBondContact O-N 2.97Å; L404-L449 HydrophobicContact CD2-CD1 4.38Å; L404-L474 HydrophobicContact CD1-CD2 4.16Å; L404-M478 HydrophobicContact CB-CE 3.33Å; L404-M478 HydrophobicContact CB-SD 3.75Å; L404-M478 HydrophobicContact CD1-CE 4.14Å; L404-M478 HydrophobicContact CD1-SD 4.43Å; L404-M478 HydrophobicContact CG-CE 4.39Å
405L85Confident88.3Confident2 Ų231 Ų311%0.0117%0.172CC..Hα-helixtrans-73.4-28-176.370.386.1000112.4V372 V375 I376 A401 I402 D407 M478 S481V372-L405 HydrophobicContact CB-CD1 3.98Å; V372-L405 HydrophobicContact CG1-CD1 3.97Å; V372-L405 HydrophobicContact CG1-CD2 4.49Å; V372-L405 HydrophobicContact CG2-CD1 3.68Å; V375-L405 HydrophobicContact CB-CD1 4.5Å; V375-L405 HydrophobicContact CB-CD2 4.34Å; V375-L405 HydrophobicContact CG1-CB 4.22Å; V375-L405 HydrophobicContact CG1-CD2 3.98Å; I376-L405 HydrophobicContact CG1-CD2 4.29Å; A401-L405 HydrophobicContact CB-CD2 4.38Å; A401-L405 WeakPolarHBondContact O-CB 3.34Å; A401-L405 WeakPolarHBondContact O-CD2 3.06Å; A401-L405 WeakPolarHBondContact O-CG 3.13Å; A401-L405 PolarHBondContact O-N 3.5Å; I402-L405 HydrophobicContact CG1-CD2 4.35Å; L405-D407 VanDerWaalsContact C-N 3.3Å; L405-M478 HydrophobicContact CB-CE 4.4Å; L405-S481 WeakPolarHBondContact CA-OG 3.49Å; L405-S481 PolarHBondContact O-OG 2.99Å
406V86.6Confident88.3Confident7 Ų730.7 Ų30.74%0.04217%0.17CC..Hα-helixtrans-73.4-27.3177.6-71.90000111.6V351 V372 I402 G403 L404 D408 A409 I410V351-V406 HydrophobicContact CG1-CB 4.14Å; V351-V406 HydrophobicContact CG1-CG1 3.96Å; V351-V406 HydrophobicContact CG1-CG2 3.92Å; V372-V406 HydrophobicContact CG2-CG1 3.27Å; I402-V406 WeakPolarHBondContact O-CG2 3.42Å; I402-V406 PolarHBondContact O-N 3.21Å; G403-V406 WeakPolarHBondContact O-CG2 3.49Å; L404-V406 VanDerWaalsContact C-N 3.34Å; L404-V406 PolarHBondContact O-N 3.08Å; V406-D408 VanDerWaalsContact C-N 3.34Å; V406-D408 PolarHBondContact O-N 3.49Å; V406-A409 PolarHBondContact O-N 2.92Å; V406-A409 VanDerWaalsContact O-N 3.11Å; V406-I410 HydrophobicContact CB-CD1 3.83Å; V406-I410 HydrophobicContact CB-CG1 4.41Å; V406-I410 HydrophobicContact CG2-CD1 3.9Å; V406-I410 WeakPolarHBondContact O-CB 3.23Å; V406-I410 WeakPolarHBondContact O-CD1 3.24Å; V406-I410 WeakPolarHBondContact O-CG1 3.39Å; V406-I410 PolarHBondContact O-N 2.87Å
407D88.9Confident88.2Confident73 Ų7328.2 Ų28.239%0.3916%0.16SC..Hα-helixtrans-56.1-47-177-163.528.5000111.8L404 L405 A409 I410 V411L404-D407 WeakPolarHBondContact O-CB 3.33Å; L404-D407 PolarHBondContact O-N 2.97Å; L405-D407 VanDerWaalsContact C-N 3.3Å; D407-A409 PolarHBondContact O-N 3.43Å; D407-I410 PolarHBondContact O-N 3.29Å; D407-V411 WeakPolarHBondContact O-CB 3.39Å; D407-V411 VanDerWaalsContact O-CG2 3.29Å; D407-V411 WeakPolarHBondContact O-CG2 3.5Å; D407-V411 PolarHBondContact O-N 3.38Å
408D91.1Very high88.1Confident4 Ų432.6 Ų32.62%0.02118%0.176CC..Hα-helixtrans-60.1-44.1178-69.6-31.9000112.3V406 I410 V412 L442 S481 V482 A485V406-D408 VanDerWaalsContact C-N 3.34Å; V406-D408 PolarHBondContact O-N 3.49Å; D408-I410 VanDerWaalsContact C-N 3.35Å; D408-V412 VanDerWaalsContact O-CG2 3.26Å; D408-V412 WeakPolarHBondContact O-CG2 3.19Å; D408-V412 PolarHBondContact O-N 3.44Å; D408-L442 HydrophobicContact CB-CD2 3.95Å; D408-S481 PolarHBondContact OD2-OG 3.28Å; D408-V482 PolarHBondContact OD2-N 2.66Å; D408-A485 HydrophobicContact CB-CB 3.59Å
409A88.6Confident88Confident2 Ų232.6 Ų32.62%0.01718%0.176CC..Hα-helixtrans-69.5-35.3179.400000111.9P368 A371 V406 D407 V413 T489P368-A409 HydrophobicContact CB-CB 3.99Å; P368-A409 HydrophobicContact CG-CB 4.38Å; A371-A409 HydrophobicContact CB-CB 4.15Å; V406-A409 PolarHBondContact O-N 2.92Å; V406-A409 VanDerWaalsContact O-N 3.11Å; D407-A409 PolarHBondContact O-N 3.43Å; A409-V413 VanDerWaalsContact O-CG2 3.31Å; A409-V413 WeakPolarHBondContact O-CG2 3.32Å; A409-V413 PolarHBondContact O-N 2.96Å; A409-V413 VanDerWaalsContact O-N 3.07Å; A409-T489 HydrophobicContact CB-CG2 4.18Å
410I90.3Very high87.9Confident27 Ų2731.1 Ų31.114%0.13817%0.167CC..Hα-helixtrans-65.7-50.9176.5-68166000110M355 P368 V406 D407 D408 V412 V413 E414M355-I410 HydrophobicContact CE-CB 4.18Å; M355-I410 HydrophobicContact CE-CD1 4.26Å; M355-I410 HydrophobicContact CE-CG1 3.64Å; M355-I410 HydrophobicContact CE-CG2 3.75Å; M355-I410 HydrophobicContact CG-CD1 4.01Å; M355-I410 HydrophobicContact CG-CG1 4.18Å; M355-I410 HydrophobicContact SD-CB 4.24Å; M355-I410 HydrophobicContact SD-CD1 3.3Å; M355-I410 WeakPolarHBondContact SD-CD1 2.96Å; M355-I410 HydrophobicContact SD-CG1 3.39Å; M355-I410 WeakPolarHBondContact SD-CG1 3.27Å; M355-I410 HydrophobicContact SD-CG2 3.84Å; P368-I410 HydrophobicContact CB-CG1 4.27Å; P368-I410 HydrophobicContact CG-CG1 4.24Å; V406-I410 HydrophobicContact CB-CD1 3.83Å; V406-I410 HydrophobicContact CB-CG1 4.41Å; V406-I410 HydrophobicContact CG2-CD1 3.9Å; V406-I410 WeakPolarHBondContact O-CB 3.23Å; V406-I410 WeakPolarHBondContact O-CD1 3.24Å; V406-I410 WeakPolarHBondContact O-CG1 3.39Å; V406-I410 PolarHBondContact O-N 2.87Å; D407-I410 PolarHBondContact O-N 3.29Å; D408-I410 VanDerWaalsContact C-N 3.35Å; I410-V412 PolarHBondContact O-N 3.4Å; I410-V413 PolarHBondContact O-N 2.9Å; I410-E414 VanDerWaalsContact O-CB 3.29Å; I410-E414 WeakPolarHBondContact O-CB 3.05Å; I410-E414 PolarHBondContact O-N 2.95Å
411V91.6Very high87.7Confident40 Ų4029.2 Ų29.224%0.24217%0.166CC..Hα-helixtrans-57.3-39178.9170.50000111.1D407 N415 I438 L442D407-V411 WeakPolarHBondContact O-CB 3.39Å; D407-V411 VanDerWaalsContact O-CG2 3.29Å; D407-V411 WeakPolarHBondContact O-CG2 3.5Å; D407-V411 PolarHBondContact O-N 3.38Å; V411-N415 WeakPolarHBondContact O-CB 3.48Å; V411-N415 PolarHBondContact O-N 2.67Å; V411-I438 HydrophobicContact CG1-CD1 4.38Å; V411-I438 HydrophobicContact CG1-CG2 4.36Å; V411-L442 HydrophobicContact CB-CD2 4.39Å; V411-L442 HydrophobicContact CG1-CD2 4.3Å
412V92Very high87.6Confident0 Ų035 Ų350%019%0.193CC..Hα-helixtrans-63.2-52.8174.3174.90000110.9D408 I410 N415 V416 M435 I438 L442 A485 T489 P490D408-V412 VanDerWaalsContact O-CG2 3.26Å; D408-V412 WeakPolarHBondContact O-CG2 3.19Å; D408-V412 PolarHBondContact O-N 3.44Å; I410-V412 PolarHBondContact O-N 3.4Å; V412-N415 PolarHBondContact O-N 3.08Å; V412-V416 HydrophobicContact CG1-CG2 4.48Å; V412-V416 WeakPolarHBondContact O-CB 3.36Å; V412-V416 WeakPolarHBondContact O-CG2 3.38Å; V412-V416 PolarHBondContact O-N 2.88Å; V412-M435 HydrophobicContact CG1-SD 4.05Å; V412-M435 HydrophobicContact CG2-SD 4.13Å; V412-I438 HydrophobicContact CB-CD1 4.1Å; V412-I438 HydrophobicContact CG2-CD1 3.66Å; V412-L442 HydrophobicContact CG2-CD1 3.74Å; V412-A485 HydrophobicContact CG2-CB 4.37Å; V412-T489 HydrophobicContact CB-CG2 3.84Å; V412-T489 HydrophobicContact CG1-CG2 3.7Å; V412-T489 HydrophobicContact CG2-CG2 4.5Å; V412-P490 HydrophobicContact CG1-CG 4.33Å
413V90.7Very high87.6Confident0 Ų038 Ų380%021%0.209CC..Hα-helixtrans-64.7-44.7-176.5172.40000111.5L359 A364 I367 P368 A409 I410 V416 E417 T489L359-V413 HydrophobicContact CD1-CG1 3.8Å; A364-V413 HydrophobicContact CB-CG1 4Å; I367-V413 HydrophobicContact CB-CG2 3.94Å; I367-V413 HydrophobicContact CD1-CG2 4.48Å; I367-V413 HydrophobicContact CG2-CG2 3.6Å; P368-V413 HydrophobicContact CG-CG2 4.07Å; A409-V413 VanDerWaalsContact O-CG2 3.31Å; A409-V413 WeakPolarHBondContact O-CG2 3.32Å; A409-V413 PolarHBondContact O-N 2.96Å; A409-V413 VanDerWaalsContact O-N 3.07Å; I410-V413 PolarHBondContact O-N 2.9Å; V413-V416 PolarHBondContact O-N 3.43Å; V413-E417 PolarHBondContact O-N 3.3Å; V413-T489 HydrophobicContact CG2-CG2 4.13Å
414E87.9Confident87.7Confident117 Ų11744 Ų4455%0.54722%0.221SC..Hα-helixtrans-63.2-46.2178.4-174.7-177.2173.400111.1I410 V416 E417 R418I410-E414 VanDerWaalsContact O-CB 3.29Å; I410-E414 WeakPolarHBondContact O-CB 3.05Å; I410-E414 PolarHBondContact O-N 2.95Å; E414-V416 VanDerWaalsContact C-N 3.3Å; E414-V416 PolarHBondContact O-N 2.9Å; E414-E417 PolarHBondContact O-N 3.14Å; E414-R418 WeakPolarHBondContact O-CB 3.38Å; E414-R418 PolarHBondContact O-N 2.6Å
415N90Very high87.7Confident21 Ų2143.2 Ų43.211%0.11222%0.216CC..Hα-helixtrans-68.2-32.2178.9-164.964.7000111.9V411 V412 R418 V419 S434 Q437 I438V411-N415 WeakPolarHBondContact O-CB 3.48Å; V411-N415 PolarHBondContact O-N 2.67Å; V412-N415 PolarHBondContact O-N 3.08Å; N415-R418 PolarHBondContact OD1-NE 2.87Å; N415-R418 VanDerWaalsContact OD1-NE 3.17Å; N415-R418 PolarHBondContact OD1-NH2 2.94Å; N415-V419 WeakPolarHBondContact O-CB 3.27Å; N415-V419 VanDerWaalsContact O-CG2 3.24Å; N415-V419 WeakPolarHBondContact O-CG2 3.47Å; N415-V419 PolarHBondContact O-N 2.69Å; N415-S434 WeakPolarHBondContact ND2-CA 3.49Å; N415-S434 PolarHBondContact ND2-OG 2.9Å; N415-Q437 PolarHBondContact ND2-OE1 2.64Å; N415-Q437 VanDerWaalsContact ND2-OE1 3.07Å; N415-I438 HydrophobicContact CB-CD1 4.34Å; N415-I438 HydrophobicContact CB-CG2 4.03Å
416V90Very high87.8Confident0 Ų046 Ų460%024%0.235CC..Hα-helixtrans-66.2-47.7171.5173.40000111.1V412 V413 E414 R418 V419 I420 T431 S434 C493 L497V412-V416 HydrophobicContact CG1-CG2 4.48Å; V412-V416 WeakPolarHBondContact O-CB 3.36Å; V412-V416 WeakPolarHBondContact O-CG2 3.38Å; V412-V416 PolarHBondContact O-N 2.88Å; V413-V416 PolarHBondContact O-N 3.43Å; E414-V416 VanDerWaalsContact C-N 3.3Å; E414-V416 PolarHBondContact O-N 2.9Å; V416-R418 VanDerWaalsContact C-N 3.32Å; V416-R418 PolarHBondContact O-N 2.91Å; V416-V419 PolarHBondContact O-N 2.88Å; V416-I420 HydrophobicContact CG1-CD1 3.72Å; V416-I420 HydrophobicContact CG1-CG1 4.23Å; V416-I420 VanDerWaalsContact O-CG1 3.29Å; V416-I420 WeakPolarHBondContact O-CG1 3.01Å; V416-I420 PolarHBondContact O-N 2.9Å; V416-T431 HydrophobicContact CG2-CG2 4.13Å; V416-S434 WeakPolarHBondContact CG2-OG 3.49Å; V416-S434 PolarHBondContact N-OG 3.45Å; V416-C493 HydrophobicContact CG1-CB 4.31Å; V416-C493 HydrophobicContact CG2-CB 4.31Å; V416-L497 HydrophobicContact CG1-CD2 4.29Å
417E85.8Confident87.8Confident49 Ų4946.6 Ų46.623%0.22924%0.238CC..Hα-helixtrans-58.4-43.3175.9-79.6-75.5-178.100111.3V413 E414 V419 I420 A421 L497V413-E417 PolarHBondContact O-N 3.3Å; E414-E417 PolarHBondContact O-N 3.14Å; E417-V419 PolarHBondContact O-N 3.35Å; E417-I420 PolarHBondContact O-N 2.95Å; E417-A421 VanDerWaalsContact O-CB 3.3Å; E417-A421 WeakPolarHBondContact O-CB 3.29Å; E417-A421 PolarHBondContact O-N 3.46Å; E417-L497 VanDerWaalsContact CD-CD2 3.45Å; E417-L497 HydrophobicContact CG-CD2 3.72Å; E417-L497 WeakPolarHBondContact OE1-CD2 3.37Å
418R85.9Confident87.8Confident92 Ų9247.6 Ų47.635%0.34724%0.239SC..Hα-helixtrans-57.9-48174.5-174.7-175.364.982.3-0.6111.6E414 N415 V416 A421 E422E414-R418 WeakPolarHBondContact O-CB 3.38Å; E414-R418 PolarHBondContact O-N 2.6Å; N415-R418 PolarHBondContact OD1-NE 2.87Å; N415-R418 VanDerWaalsContact OD1-NE 3.17Å; N415-R418 PolarHBondContact OD1-NH2 2.94Å; V416-R418 VanDerWaalsContact C-N 3.32Å; V416-R418 PolarHBondContact O-N 2.91Å; R418-A421 PolarHBondContact O-N 3.32Å; R418-E422 HydrophobicContact CG-CG 4.19Å; R418-E422 WeakPolarHBondContact CG-OE1 3.36Å; R418-E422 IonicContact CZ-OE2 3.65Å; R418-E422 IonicContact NH1-OE2 3.62Å; R418-E422 PolarHBondContact NH1-OE2 2.87Å; R418-E422 WeakPolarHBondContact O-CB 3.35Å; R418-E422 WeakPolarHBondContact O-CG 3.3Å; R418-E422 PolarHBondContact O-N 3.09Å
419V88.4Confident87.7Confident0 Ų052.7 Ų52.70%026%0.263CS..Hα-helixtrans-66.2-38.2178.7170.80000111.6N415 V416 E417 A421 D423 L425 A430 K433N415-V419 WeakPolarHBondContact O-CB 3.27Å; N415-V419 VanDerWaalsContact O-CG2 3.24Å; N415-V419 WeakPolarHBondContact O-CG2 3.47Å; N415-V419 PolarHBondContact O-N 2.69Å; V416-V419 PolarHBondContact O-N 2.88Å; E417-V419 PolarHBondContact O-N 3.35Å; V419-A421 VanDerWaalsContact C-N 3.34Å; V419-D423 HydrophobicContact CG1-CB 4.43Å; V419-D423 WeakPolarHBondContact O-CA 3.49Å; V419-D423 VanDerWaalsContact O-CB 3.28Å; V419-D423 WeakPolarHBondContact O-CB 3.3Å; V419-D423 PolarHBondContact O-N 3.44Å; V419-L425 HydrophobicContact CG1-CD1 4.11Å; V419-A430 HydrophobicContact CB-CB 4.38Å; V419-A430 HydrophobicContact CG1-CB 3.76Å; V419-K433 HydrophobicContact CG1-CB 4.33Å; V419-K433 HydrophobicContact CG1-CD 4.12Å
420I86.2Confident87.8Confident1 Ų152.6 Ų52.61%0.00526%0.262CS..Hα-helixtrans-63.6-41.6174.1-68.1171.2000110.4V416 E417 K424 P427 A430 L497 A500V416-I420 HydrophobicContact CG1-CD1 3.72Å; V416-I420 HydrophobicContact CG1-CG1 4.23Å; V416-I420 VanDerWaalsContact O-CG1 3.29Å; V416-I420 WeakPolarHBondContact O-CG1 3.01Å; V416-I420 PolarHBondContact O-N 2.9Å; E417-I420 PolarHBondContact O-N 2.95Å; I420-K424 WeakPolarHBondContact O-CA 3.4Å; I420-K424 PolarHBondContact O-N 3.41Å; I420-K424 VanDerWaalsContact O-N 3.17Å; I420-P427 HydrophobicContact CD1-CB 4.22Å; I420-P427 HydrophobicContact CD1-CG 4.32Å; I420-A430 HydrophobicContact CD1-CB 4.29Å; I420-A430 HydrophobicContact CG1-CB 3.39Å; I420-L497 HydrophobicContact CD1-CB 4.33Å; I420-L497 HydrophobicContact CD1-CD2 3.83Å; I420-A500 HydrophobicContact CG2-CB 3.99Å
421A82.9Confident87.9Confident62 Ų6251.3 Ų51.351%0.51226%0.256SS..Hα-helixtrans-74.2-45.6-177.500000113E417 R418 V419E417-A421 VanDerWaalsContact O-CB 3.3Å; E417-A421 WeakPolarHBondContact O-CB 3.29Å; E417-A421 PolarHBondContact O-N 3.46Å; R418-A421 PolarHBondContact O-N 3.32Å; V419-A421 VanDerWaalsContact C-N 3.34Å
422E86.2Confident87.9Confident122 Ų12251.7 Ų51.757%0.5726%0.255SS*.Hα-helixtrans-78.8-49.9-176.7-69.2177.6174.100112.1R418R418-E422 HydrophobicContact CG-CG 4.19Å; R418-E422 WeakPolarHBondContact CG-OE1 3.36Å; R418-E422 IonicContact CZ-OE2 3.65Å; R418-E422 IonicContact NH1-OE2 3.62Å; R418-E422 PolarHBondContact NH1-OE2 2.87Å; R418-E422 WeakPolarHBondContact O-CB 3.35Å; R418-E422 WeakPolarHBondContact O-CG 3.3Å; R418-E422 PolarHBondContact O-N 3.09Å
423D84.7Confident87.9Confident65 Ų6556 Ų5635%0.34827%0.273SS..Hα-helixtrans-90.9-9.2-174.5-61.4-54000113.1V419 L425 K433V419-D423 HydrophobicContact CG1-CB 4.43Å; V419-D423 WeakPolarHBondContact O-CA 3.49Å; V419-D423 VanDerWaalsContact O-CB 3.28Å; V419-D423 WeakPolarHBondContact O-CB 3.3Å; V419-D423 PolarHBondContact O-N 3.44Å; D423-L425 HydrophobicContact CB-CD1 3.8Å; D423-L425 HydrophobicContact CB-CG 3.89Å; D423-L425 PolarHBondContact O-N 2.71Å; D423-K433 IonicContact OD1-NZ 2.69Å; D423-K433 PolarHBondContact OD1-NZ 3.48Å; D423-K433 VanDerWaalsContact OD1-NZ 3.16Å; D423-K433 WeakPolarHBondContact OD2-CE 3.43Å; D423-K433 IonicContact OD2-NZ 2.68Å; D423-K433 PolarHBondContact OD2-NZ 2.95Å
424K83.1Confident88Confident179 Ų17956 Ų5678%0.77827%0.273SS*.  trans5433.6-178.1-59.2-173.9179.7-1790114I420I420-K424 WeakPolarHBondContact O-CA 3.4Å; I420-K424 PolarHBondContact O-N 3.41Å; I420-K424 VanDerWaalsContact O-N 3.17Å
425L85.2Confident88.2Confident45 Ų4550.4 Ų50.424%0.23625%0.247CC..  trans-82.1149.9178.5-70.3167.7000111.4V419 D423 E429 A430 K433V419-L425 HydrophobicContact CG1-CD1 4.11Å; D423-L425 HydrophobicContact CB-CD1 3.8Å; D423-L425 HydrophobicContact CB-CG 3.89Å; D423-L425 PolarHBondContact O-N 2.71Å; L425-E429 HydrophobicContact CB-CB 4.49Å; L425-A430 HydrophobicContact CB-CB 4.03Å; L425-K433 HydrophobicContact CD1-CD 3.87Å
426P87.2Confident88.2Confident61 Ų6152.5 Ų52.540%0.39627%0.274SS..  trans-62.4149.617125.5-31.6000110.6K428 E429 A430P426-K428 PolarHBondContact O-N 2.94Å; P426-E429 HydrophobicContact CG-CB 4.05Å; P426-E429 HydrophobicContact CG-CG 3.98Å; P426-E429 PolarHBondContact O-N 2.9Å; P426-A430 PolarHBondContact O-N 3.49Å
427P86.7Confident88.3Confident18 Ų1856.7 Ų56.712%0.11729%0.293CS..Hα-helixtrans-51-38.8-170.7-30.534.6000114.8I420 T431 L497 A499I420-P427 HydrophobicContact CD1-CB 4.22Å; I420-P427 HydrophobicContact CD1-CG 4.32Å; P427-T431 WeakPolarHBondContact O-CB 3.43Å; P427-T431 PolarHBondContact O-N 2.94Å; P427-T431 PolarHBondContact O-OG1 2.88Å; P427-L497 HydrophobicContact CB-CB 4.28Å; P427-L497 WeakPolarHBondContact CG-O 3.37Å; P427-A499 HydrophobicContact CG-CB 4.5Å
428K89.9Confident88.7Confident95 Ų9555 Ų5541%0.41329%0.286SS..Hα-helixtrans-64.9-48.2178.6-169.1179.4-179.9-171.10112.6I6 D7 P426 T431 H432 A494I6-K428 HydrophobicContact CG2-CG 3.85Å; D7-K428 WeakPolarHBondContact OD1-CE 3.39Å; D7-K428 IonicContact OD1-NZ 3.16Å; D7-K428 PolarHBondContact OD1-NZ 2.62Å; P426-K428 PolarHBondContact O-N 2.94Å; K428-T431 PolarHBondContact O-N 2.88Å; K428-H432 PolarHBondContact O-CD2 2.94Å; K428-H432 PolarHBondContact O-N 3.4Å; K428-H432 VanDerWaalsContact O-N 3.15Å; K428-A494 HydrophobicContact CB-CB 4.28Å; K428-A494 HydrophobicContact CG-CB 4.25Å
429E89.6Confident88.9Confident111 Ų11154.1 Ų54.152%0.51929%0.286SS..Hα-helixtrans-70.5-39.2179.3-67.9-177.1-178.700111.8L425 P426 T431 H432 K433L425-E429 HydrophobicContact CB-CB 4.49Å; P426-E429 HydrophobicContact CG-CB 4.05Å; P426-E429 HydrophobicContact CG-CG 3.98Å; P426-E429 PolarHBondContact O-N 2.9Å; E429-T431 PolarHBondContact O-N 3.41Å; E429-H432 PolarHBondContact O-N 3.35Å; E429-K433 PolarHBondContact O-N 3.09Å
430A90.5Very high89.1Confident0 Ų065 Ų650%033%0.327CS..Hα-helixtrans-57.6-40.9172.900000111.4V419 I420 L425 P426 K433 S434V419-A430 HydrophobicContact CB-CB 4.38Å; V419-A430 HydrophobicContact CG1-CB 3.76Å; I420-A430 HydrophobicContact CD1-CB 4.29Å; I420-A430 HydrophobicContact CG1-CB 3.39Å; L425-A430 HydrophobicContact CB-CB 4.03Å; P426-A430 PolarHBondContact O-N 3.49Å; A430-K433 PolarHBondContact O-N 3.01Å; A430-S434 WeakPolarHBondContact O-CB 3.41Å; A430-S434 PolarHBondContact O-N 2.84Å
431T91.5Very high89.4Confident0 Ų067.5 Ų67.50%035%0.347CS..Hα-helixtrans-65.6-42.2176.9-520000112.1I6 V416 P427 K428 E429 K433 S434 M435 P490 C493I6-T431 HydrophobicContact CD1-CG2 3.53Å; I6-T431 HydrophobicContact CG1-CG2 3.88Å; V416-T431 HydrophobicContact CG2-CG2 4.13Å; P427-T431 WeakPolarHBondContact O-CB 3.43Å; P427-T431 PolarHBondContact O-N 2.94Å; P427-T431 PolarHBondContact O-OG1 2.88Å; K428-T431 PolarHBondContact O-N 2.88Å; E429-T431 PolarHBondContact O-N 3.41Å; T431-K433 PolarHBondContact O-N 3.36Å; T431-S434 PolarHBondContact O-N 3.38Å; T431-M435 HydrophobicContact CG2-CG 4.4Å; T431-M435 WeakPolarHBondContact O-CG 3.48Å; T431-M435 PolarHBondContact O-N 2.82Å; T431-P490 HydrophobicContact CG2-CB 3.68Å; T431-P490 WeakPolarHBondContact CG2-O 3.49Å; T431-C493 HydrophobicContact CG2-CB 4.06Å
432H92Very high89.8Confident47 Ų4764.6 Ų64.622%0.21832%0.323CS..Hα-helixtrans-60.4-45.6174.9-77.2-66.6000112.3N3 I6 D7 K428 E429 G436N3-H432 PolarHBondContact OD1-ND1 3.39Å; I6-H432 WeakPolarHBondContact CG2-NE2 3.48Å; D7-H432 IonicContact OD1-NE2 3.43Å; D7-H432 IonicContact OD2-CE1 3.46Å; K428-H432 PolarHBondContact O-CD2 2.94Å; K428-H432 PolarHBondContact O-N 3.4Å; K428-H432 VanDerWaalsContact O-N 3.15Å; E429-H432 PolarHBondContact O-N 3.35Å; H432-G436 PolarHBondContact O-N 3.27Å
433K92.2Very high90.1Very high90 Ų9061.8 Ų61.839%0.39131%0.314SS..Hα-helixtrans-65.1-44.8178.2-171.5179-176.9-172.90111.3V419 D423 L425 E429 A430 T431 G436 Q437V419-K433 HydrophobicContact CG1-CB 4.33Å; V419-K433 HydrophobicContact CG1-CD 4.12Å; D423-K433 IonicContact OD1-NZ 2.69Å; D423-K433 PolarHBondContact OD1-NZ 3.48Å; D423-K433 VanDerWaalsContact OD1-NZ 3.16Å; D423-K433 WeakPolarHBondContact OD2-CE 3.43Å; D423-K433 IonicContact OD2-NZ 2.68Å; D423-K433 PolarHBondContact OD2-NZ 2.95Å; L425-K433 HydrophobicContact CD1-CD 3.87Å; E429-K433 PolarHBondContact O-N 3.09Å; A430-K433 PolarHBondContact O-N 3.01Å; T431-K433 PolarHBondContact O-N 3.36Å; K433-G436 PolarHBondContact O-N 2.89Å; K433-Q437 PolarHBondContact O-N 3.38Å
434S92.5Very high90.6Very high0 Ų060.2 Ų60.20%031%0.313CS..Hα-helixtrans-58.5-49.9178.3175.10000111.5N415 V416 A430 T431 G436 Q437 I438N415-S434 WeakPolarHBondContact ND2-CA 3.49Å; N415-S434 PolarHBondContact ND2-OG 2.9Å; V416-S434 WeakPolarHBondContact CG2-OG 3.49Å; V416-S434 PolarHBondContact N-OG 3.45Å; A430-S434 WeakPolarHBondContact O-CB 3.41Å; A430-S434 PolarHBondContact O-N 2.84Å; T431-S434 PolarHBondContact O-N 3.38Å; S434-G436 VanDerWaalsContact C-N 3.25Å; S434-G436 PolarHBondContact O-N 3.43Å; S434-Q437 WeakPolarHBondContact O-CA 3.25Å; S434-Q437 WeakPolarHBondContact O-CB 3.25Å; S434-Q437 PolarHBondContact O-N 3.19Å; S434-I438 WeakPolarHBondContact O-CG1 3.48Å; S434-I438 PolarHBondContact O-N 2.84Å; S434-I438 VanDerWaalsContact O-N 3.13Å
435M92.4Very high90.9Very high1 Ų154.7 Ų54.71%0.00529%0.292CS..Hα-helixtrans-62.1-33179.7-71.8-53.1-60.400112.8A2 I6 V412 T431 Q437 I438 Q439 L442 M486 P490A2-M435 HydrophobicContact CB-CB 3.93Å; A2-M435 HydrophobicContact CB-CE 3.48Å; A2-M435 VanDerWaalsContact CB-CE 3.48Å; A2-M435 HydrophobicContact CB-CG 3.75Å; A2-M435 HydrophobicContact CB-SD 4.32Å; I6-M435 HydrophobicContact CD1-CG 4.24Å; V412-M435 HydrophobicContact CG1-SD 4.05Å; V412-M435 HydrophobicContact CG2-SD 4.13Å; T431-M435 HydrophobicContact CG2-CG 4.4Å; T431-M435 WeakPolarHBondContact O-CG 3.48Å; T431-M435 PolarHBondContact O-N 2.82Å; M435-Q437 PolarHBondContact O-N 2.87Å; M435-I438 HydrophobicContact SD-CD1 4.05Å; M435-I438 HydrophobicContact SD-CG1 4.2Å; M435-Q439 WeakPolarHBondContact O-CB 3.42Å; M435-Q439 PolarHBondContact O-N 3.32Å; M435-Q439 VanDerWaalsContact O-N 3.09Å; M435-L442 HydrophobicContact CE-CD1 4.16Å; M435-M486 HydrophobicContact CE-CG 4.36Å; M435-P490 HydrophobicContact CE-CG 4.02Å; M435-P490 HydrophobicContact CG-CB 4.01Å; M435-P490 HydrophobicContact CG-CG 4.01Å; M435-P490 HydrophobicContact SD-CB 4.23Å; M435-P490 HydrophobicContact SD-CG 3.62Å
436G90.1Very high91.1Very high64 Ų6452.8 Ų52.866%0.6628%0.282SS*.Hα-helixtrans-61.7-28.7172.400000114H432 K433 S434H432-G436 PolarHBondContact O-N 3.27Å; K433-G436 PolarHBondContact O-N 2.89Å; S434-G436 VanDerWaalsContact C-N 3.25Å; S434-G436 PolarHBondContact O-N 3.43Å
437Q92Very high91.3Very high89 Ų8954.1 Ų54.142%0.41629%0.289SS..Hα-helixtrans-82.6-46.4179.6-64.4170.2-7.600112N415 K433 S434 M435N415-Q437 PolarHBondContact ND2-OE1 2.64Å; N415-Q437 VanDerWaalsContact ND2-OE1 3.07Å; K433-Q437 PolarHBondContact O-N 3.38Å; S434-Q437 WeakPolarHBondContact O-CA 3.25Å; S434-Q437 WeakPolarHBondContact O-CB 3.25Å; S434-Q437 PolarHBondContact O-N 3.19Å; M435-Q437 PolarHBondContact O-N 2.87Å
438I92.9Very high91.7Very high14 Ų1457.7 Ų57.77%0.07231%0.31CS..Hα-helixtrans-97.8-15.7-16765.3-178.4000114.6V411 V412 N415 S434 M435 R440 A441 L442V411-I438 HydrophobicContact CG1-CD1 4.38Å; V411-I438 HydrophobicContact CG1-CG2 4.36Å; V412-I438 HydrophobicContact CB-CD1 4.1Å; V412-I438 HydrophobicContact CG2-CD1 3.66Å; N415-I438 HydrophobicContact CB-CD1 4.34Å; N415-I438 HydrophobicContact CB-CG2 4.03Å; S434-I438 WeakPolarHBondContact O-CG1 3.48Å; S434-I438 PolarHBondContact O-N 2.84Å; S434-I438 VanDerWaalsContact O-N 3.13Å; M435-I438 HydrophobicContact SD-CD1 4.05Å; M435-I438 HydrophobicContact SD-CG1 4.2Å; I438-R440 PolarHBondContact O-N 3.46Å; I438-A441 WeakPolarHBondContact O-CA 3.46Å; I438-A441 WeakPolarHBondContact O-CB 3.5Å; I438-A441 PolarHBondContact O-N 3.37Å; I438-L442 HydrophobicContact CD1-CD1 4.13Å; I438-L442 HydrophobicContact CG1-CD1 4.02Å; I438-L442 HydrophobicContact CG1-CG 4.49Å; I438-L442 PolarHBondContact O-N 3.48Å
439Q90.7Very high91.7Very high73 Ų7355.3 Ų55.334%0.34130%0.302SS..Hα-helixtrans-54.4-36.6-173.1179.4178.4-20.800113.2M435 V443 M486M435-Q439 WeakPolarHBondContact O-CB 3.42Å; M435-Q439 PolarHBondContact O-N 3.32Å; M435-Q439 VanDerWaalsContact O-N 3.09Å; Q439-V443 WeakPolarHBondContact O-CG2 3.27Å; Q439-V443 PolarHBondContact O-N 2.86Å; Q439-M486 HydrophobicContact CG-CE 3.74Å; Q439-M486 HydrophobicContact CG-SD 4.35Å
440R92Very high91.8Very high229 Ų22950.6 Ų50.686%0.86428%0.281SS*.Hα-helixtrans-71.9-34.9177.6-65-178.2-177.6179.80.7112.7I438 G444I438-R440 PolarHBondContact O-N 3.46Å; R440-G444 PolarHBondContact O-N 3.27Å
441A92.6Very high91.9Very high53 Ų5353.3 Ų53.344%0.43830%0.303SS..Hα-helixtrans-68.6-45.9178.100000110.9I438 V443 G444 I445I438-A441 WeakPolarHBondContact O-CA 3.46Å; I438-A441 WeakPolarHBondContact O-CB 3.5Å; I438-A441 PolarHBondContact O-N 3.37Å; A441-V443 PolarHBondContact O-N 3.25Å; A441-G444 WeakPolarHBondContact O-CA 3.41Å; A441-G444 PolarHBondContact O-N 3.26Å; A441-G444 VanDerWaalsContact O-N 3.07Å; A441-I445 WeakPolarHBondContact O-CG1 3.38Å; A441-I445 PolarHBondContact O-N 3.31Å
442L92.4Very high92Very high0 Ų057.6 Ų57.60%033%0.329CS..Hα-helixtrans-57.2-49.2178-66.6172.9000111.9D408 V411 V412 M435 I438 G444 I445 A446 V482D408-L442 HydrophobicContact CB-CD2 3.95Å; V411-L442 HydrophobicContact CB-CD2 4.39Å; V411-L442 HydrophobicContact CG1-CD2 4.3Å; V412-L442 HydrophobicContact CG2-CD1 3.74Å; M435-L442 HydrophobicContact CE-CD1 4.16Å; I438-L442 HydrophobicContact CD1-CD1 4.13Å; I438-L442 HydrophobicContact CG1-CD1 4.02Å; I438-L442 HydrophobicContact CG1-CG 4.49Å; I438-L442 PolarHBondContact O-N 3.48Å; L442-G444 VanDerWaalsContact C-N 3.3Å; L442-G444 PolarHBondContact O-N 3.22Å; L442-I445 PolarHBondContact O-N 2.93Å; L442-A446 PolarHBondContact O-N 2.97Å; L442-A446 VanDerWaalsContact O-N 3.11Å; L442-V482 HydrophobicContact CB-CG2 4.14Å
443V92.8Very high92Very high64 Ų6456.9 Ų56.939%0.38833%0.326SS..Hα-helixtrans-64-38.1176.3177.10000111.2Q439 A441 A446 V447 V482 M486Q439-V443 WeakPolarHBondContact O-CG2 3.27Å; Q439-V443 PolarHBondContact O-N 2.86Å; A441-V443 PolarHBondContact O-N 3.25Å; V443-A446 PolarHBondContact O-N 2.88Å; V443-V447 HydrophobicContact CG1-CG2 4.26Å; V443-V447 WeakPolarHBondContact O-CB 3.34Å; V443-V447 VanDerWaalsContact O-CG2 3.25Å; V443-V447 WeakPolarHBondContact O-CG2 3.43Å; V443-V447 PolarHBondContact O-N 3.29Å; V443-V482 HydrophobicContact CG2-CG2 4.48Å; V443-M486 HydrophobicContact CG2-SD 3.79Å
444G93.5Very high92.1Very high32 Ų3257.2 Ų57.233%0.3333%0.33SS..Hα-helixtrans-60.6-46.8177.100000113R440 A441 L442 V447 V448R440-G444 PolarHBondContact O-N 3.27Å; A441-G444 WeakPolarHBondContact O-CA 3.41Å; A441-G444 PolarHBondContact O-N 3.26Å; A441-G444 VanDerWaalsContact O-N 3.07Å; L442-G444 VanDerWaalsContact C-N 3.3Å; L442-G444 PolarHBondContact O-N 3.22Å; G444-V447 PolarHBondContact O-N 2.91Å; G444-V448 VanDerWaalsContact O-CG2 3.29Å; G444-V448 WeakPolarHBondContact O-CG2 3.35Å; G444-V448 PolarHBondContact O-N 3.07Å
445I90Very high92.1Very high63 Ų6361 Ų6132%0.32336%0.355SS..Hα-helixtrans-62-49.3178.3-65.8164.3000110.1A441 L442 V447 V448 L449A441-I445 WeakPolarHBondContact O-CG1 3.38Å; A441-I445 PolarHBondContact O-N 3.31Å; L442-I445 PolarHBondContact O-N 2.93Å; I445-V447 VanDerWaalsContact C-N 3.31Å; I445-V447 PolarHBondContact O-N 3.48Å; I445-V448 PolarHBondContact O-N 3.25Å; I445-L449 HydrophobicContact CG2-CD1 3.89Å; I445-L449 HydrophobicContact CG2-CG 4.35Å; I445-L449 WeakPolarHBondContact O-CG 3.4Å; I445-L449 PolarHBondContact O-N 3.35Å
446A89Confident92.1Very high4 Ų463.4 Ų63.43%0.03337%0.366CS..Hα-helixtrans-58.8-41.4179.600000112.6L442 V443 S450 V482L442-A446 PolarHBondContact O-N 2.97Å; L442-A446 VanDerWaalsContact O-N 3.11Å; V443-A446 PolarHBondContact O-N 2.88Å; A446-S450 VanDerWaalsContact O-CB 3.24Å; A446-S450 WeakPolarHBondContact O-CB 3.32Å; A446-S450 PolarHBondContact O-N 3.11Å; A446-S450 PolarHBondContact O-OG 3.5Å; A446-V482 HydrophobicContact CB-CB 3.83Å; A446-V482 HydrophobicContact CB-CG1 3.88Å; A446-V482 HydrophobicContact CB-CG2 4.11Å
447V92.9Very high92.1Very high90 Ų9060.9 Ų60.955%0.54534%0.34SS..Hα-helixtrans-67.5-44.8177.4170.50000111.3V443 G444 I445 S450 A451V443-V447 HydrophobicContact CG1-CG2 4.26Å; V443-V447 WeakPolarHBondContact O-CB 3.34Å; V443-V447 VanDerWaalsContact O-CG2 3.25Å; V443-V447 WeakPolarHBondContact O-CG2 3.43Å; V443-V447 PolarHBondContact O-N 3.29Å; G444-V447 PolarHBondContact O-N 2.91Å; I445-V447 VanDerWaalsContact C-N 3.31Å; I445-V447 PolarHBondContact O-N 3.48Å; V447-S450 PolarHBondContact O-N 2.98Å; V447-A451 WeakPolarHBondContact O-CB 3.29Å; V447-A451 PolarHBondContact O-N 3.35Å
448V93.2Very high92.1Very high93 Ų9364.2 Ų64.256%0.56435%0.353SS*.Hα-helixtrans-63.7-46.6-179.8170.80000110.9G444 I445 A451 V452G444-V448 VanDerWaalsContact O-CG2 3.29Å; G444-V448 WeakPolarHBondContact O-CG2 3.35Å; G444-V448 PolarHBondContact O-N 3.07Å; I445-V448 PolarHBondContact O-N 3.25Å; V448-A451 PolarHBondContact O-N 3.21Å; V448-V452 WeakPolarHBondContact O-CG2 3.1Å; V448-V452 PolarHBondContact O-N 3.44Å; V448-V452 VanDerWaalsContact O-N 3.11Å
449L90.3Very high91.9Very high44 Ų4467.5 Ų67.523%0.2337%0.369CS..Hα-helixtrans-62.2-46.5177.2-69.2177.8000110.8L404 I445 A451 V452 F453 M478L404-L449 HydrophobicContact CD2-CD1 4.38Å; I445-L449 HydrophobicContact CG2-CD1 3.89Å; I445-L449 HydrophobicContact CG2-CG 4.35Å; I445-L449 WeakPolarHBondContact O-CG 3.4Å; I445-L449 PolarHBondContact O-N 3.35Å; L449-A451 VanDerWaalsContact C-N 3.27Å; L449-A451 PolarHBondContact O-N 3.39Å; L449-V452 PolarHBondContact O-N 2.93Å; L449-V452 VanDerWaalsContact O-N 3.17Å; L449-F453 WeakPolarHBondContact O-CD2 3.35Å; L449-F453 PolarHBondContact O-N 3.41Å; L449-M478 HydrophobicContact CB-CG 4.32Å; L449-M478 HydrophobicContact CD1-CG 4.48Å; L449-M478 HydrophobicContact CD1-SD 3.73Å
450S91.5Very high91.6Very high12 Ų1269.4 Ų69.48%0.08439%0.39CS..Hα-helixtrans-60.4-38.1176.8-58.70000112.2A446 V447 V452 F453 M454A446-S450 VanDerWaalsContact O-CB 3.24Å; A446-S450 WeakPolarHBondContact O-CB 3.32Å; A446-S450 PolarHBondContact O-N 3.11Å; A446-S450 PolarHBondContact O-OG 3.5Å; V447-S450 PolarHBondContact O-N 2.98Å; S450-V452 VanDerWaalsContact C-N 3.33Å; S450-V452 PolarHBondContact O-N 2.84Å; S450-F453 PolarHBondContact O-N 2.7Å; S450-M454 VanDerWaalsContact O-CB 3.25Å; S450-M454 WeakPolarHBondContact O-CB 3.28Å; S450-M454 PolarHBondContact O-N 3.31Å
451A94.1Very high91.2Very high57 Ų5760.1 Ų60.147%0.47137%0.366SS..Hα-helixtrans-67.7-29.3178.800000113.3V447 V448 L449 P455V447-A451 WeakPolarHBondContact O-CB 3.29Å; V447-A451 PolarHBondContact O-N 3.35Å; V448-A451 PolarHBondContact O-N 3.21Å; L449-A451 VanDerWaalsContact C-N 3.27Å; L449-A451 PolarHBondContact O-N 3.39Å; A451-P455 WeakPolarHBondContact O-CD 3.46Å
452V92.4Very high90.6Very high90 Ų9059 Ų5955%0.54536%0.356SS..Hα-helixtrans-70.5-40.7175.1172.10000111.1V448 L449 S450V448-V452 WeakPolarHBondContact O-CG2 3.1Å; V448-V452 PolarHBondContact O-N 3.44Å; V448-V452 VanDerWaalsContact O-N 3.11Å; L449-V452 PolarHBondContact O-N 2.93Å; L449-V452 VanDerWaalsContact O-N 3.17Å; S450-V452 VanDerWaalsContact C-N 3.33Å; S450-V452 PolarHBondContact O-N 2.84Å
453F92.1Very high90.2Very high33 Ų3361.5 Ų61.515%0.14537%0.372CS..Hα-helixtrans-85-24.3-177.1-63.9-72.2000113.6L449 S450 M456 F470 S471 L474 I475L449-F453 WeakPolarHBondContact O-CD2 3.35Å; L449-F453 PolarHBondContact O-N 3.41Å; S450-F453 PolarHBondContact O-N 2.7Å; F453-M456 HydrophobicContact CB-CE 4.29Å; F453-M456 HydrophobicContact CD1-CE 3.25Å; F453-M456 HydrophobicContact CE1-CE 3.86Å; F453-M456 HydrophobicContact CG-CE 4.15Å; F453-M456 PolarHBondContact O-N 2.96Å; F453-F470 HydrophobicContact CE1-CE1 4.06Å; F453-S471 WeakPolarHBondContact O-CB 3.26Å; F453-S471 PolarHBondContact O-OG 2.76Å; F453-L474 HydrophobicContact CD1-CD1 3.78Å; F453-L474 HydrophobicContact CD2-CB 4.32Å; F453-L474 HydrophobicContact CD2-CD1 4.29Å; F453-L474 HydrophobicContact CE1-CD1 3.53Å; F453-L474 HydrophobicContact CE2-CD1 4.04Å; F453-L474 HydrophobicContact CG-CB 4.43Å; F453-L474 HydrophobicContact CG-CD1 4.22Å; F453-L474 HydrophobicContact CZ-CD1 3.69Å; F453-I475 HydrophobicContact CB-CD1 4.07Å; F453-I475 HydrophobicContact CB-CG1 3.93Å
454M93.9Very high89.9Confident97 Ų9758.4 Ų58.448%0.47835%0.353SS..THydrogen-bonded Turntrans-60.3-44.2-175178.4165-79.500114.4S450 M456 A457 F458 I475S450-M454 VanDerWaalsContact O-CB 3.25Å; S450-M454 WeakPolarHBondContact O-CB 3.28Å; S450-M454 PolarHBondContact O-N 3.31Å; M454-M456 PolarHBondContact O-N 3.12Å; M454-A457 WeakPolarHBondContact O-CB 3.32Å; M454-A457 PolarHBondContact O-N 3.2Å; M454-F458 HydrophobicContact CG-CE2 3.84Å; M454-F458 VanDerWaalsContact O-CD2 3.26Å; M454-F458 WeakPolarHBondContact O-CD2 3.22Å; M454-I475 HydrophobicContact CB-CD1 4.15Å
455P94.2Very high89.6Confident80 Ų8058.8 Ų58.852%0.51935%0.346SS..G310 helixtrans-58.8-34.3177-26.735.8000113.6A451 A457 F458A451-P455 WeakPolarHBondContact O-CD 3.46Å; P455-A457 VanDerWaalsContact C-N 3.27Å; P455-A457 PolarHBondContact O-N 2.66Å; P455-F458 PolarHBondContact O-N 3.11Å; P455-F458 VanDerWaalsContact O-N 3.17Å
456M91.8Very high89.5Confident50 Ų5056.7 Ų56.725%0.24634%0.336CS..G310 helixtrans-67.6-27.1-178.9-66.9-168.5-71.500112.5F453 M454 F458 M459 S471F453-M456 HydrophobicContact CB-CE 4.29Å; F453-M456 HydrophobicContact CD1-CE 3.25Å; F453-M456 HydrophobicContact CE1-CE 3.86Å; F453-M456 HydrophobicContact CG-CE 4.15Å; F453-M456 PolarHBondContact O-N 2.96Å; M454-M456 PolarHBondContact O-N 3.12Å; M456-F458 PolarHBondContact O-N 2.97Å; M456-M459 PolarHBondContact O-N 3.16Å; M456-S471 WeakPolarHBondContact CB-OG 3.47Å
457A90.7Very high89.6Confident12 Ų1260.9 Ų60.910%0.09935%0.351CS..G310 helixtrans-69.7-16.9175.600000114.1M454 P455 R468M454-A457 WeakPolarHBondContact O-CB 3.32Å; M454-A457 PolarHBondContact O-N 3.2Å; P455-A457 VanDerWaalsContact C-N 3.27Å; P455-A457 PolarHBondContact O-N 2.66Å; A457-R468 HydrophobicContact CB-CG 4.37Å; A457-R468 PolarHBondContact O-NE 2.9Å; A457-R468 PolarHBondContact O-NH2 3.15Å
458F91.4Very high89.5Confident159 Ų15960.5 Ų60.570%0.69734%0.34SS*.G310 helixtrans-97.5-0.4178.9-66.1-72.8000113.6M454 P455 M456M454-F458 HydrophobicContact CG-CE2 3.84Å; M454-F458 VanDerWaalsContact O-CD2 3.26Å; M454-F458 WeakPolarHBondContact O-CD2 3.22Å; P455-F458 PolarHBondContact O-N 3.11Å; P455-F458 VanDerWaalsContact O-N 3.17Å; M456-F458 PolarHBondContact O-N 2.97Å
459M89Confident89.4Confident83 Ų8356.4 Ų56.441%0.40932%0.315SS..  trans-65.4142.6172.3-67.1-177.166.200110M456 G464 Y467M456-M459 PolarHBondContact O-N 3.16Å; M459-G464 VanDerWaalsContact O-CA 3.25Å; M459-G464 WeakPolarHBondContact O-CA 3.25Å; M459-Y467 HydrophobicContact CE-CD2 3.97Å; M459-Y467 HydrophobicContact CE-CE2 3.83Å; M459-Y467 HydrophobicContact SD-CD2 3.52Å; M459-Y467 VanDerWaalsContact SD-CD2 3.52Å; M459-Y467 HydrophobicContact SD-CE2 3.79Å
460S84.4Confident89.4Confident112 Ų11256.8 Ų56.878%0.78332%0.315SS*.  trans-100.2166.4-179560000112.3
461G82.3Confident89.5Confident35 Ų3556.2 Ų56.236%0.36131%0.311SS..Hα-helixtrans76.6-172.2-18000000113.7T463 G464 E465G461-T463 VanDerWaalsContact C-N 3.33Å; G461-T463 PolarHBondContact O-N 3.35Å; G461-G464 WeakPolarHBondContact O-CA 3.28Å; G461-G464 PolarHBondContact O-N 3.43Å; G461-E465 PolarHBondContact O-N 2.76Å
462A80.1Confident89.4Confident28 Ų2855.1 Ų55.123%0.23130%0.297CS..Hα-helixtrans-54.7-44.8-177.200000113.2I38 G464 E465 I466I38-A462 HydrophobicContact CG2-CB 3.53Å; I38-A462 WeakPolarHBondContact CG2-O 3.48Å; A462-G464 VanDerWaalsContact C-N 3.28Å; A462-G464 PolarHBondContact O-N 3Å; A462-E465 PolarHBondContact O-N 2.77Å; A462-I466 PolarHBondContact O-N 2.96Å
463T84.2Confident89.5Confident53 Ų5350.9 Ų50.933%0.32527%0.271SS..Hα-helixtrans-63.5-36.3176.7-400000111.9G461 I466 Y467 F561G461-T463 VanDerWaalsContact C-N 3.33Å; G461-T463 PolarHBondContact O-N 3.35Å; T463-I466 PolarHBondContact O-N 3.42Å; T463-Y467 HydrophobicContact CG2-CD2 3.86Å; T463-Y467 HydrophobicContact CG2-CE2 3.42Å; T463-Y467 VanDerWaalsContact CG2-CE2 3.42Å; T463-Y467 WeakPolarHBondContact O-CD2 3.45Å; T463-Y467 PolarHBondContact O-N 3.32Å; T463-F561 HydrophobicContact CG2-CE2 4.08Å; T463-F561 WeakPolarHBondContact OG1-CE2 3.24Å
464G86.9Confident89.5Confident0 Ų049.4 Ų49.40%026%0.264CS..Hα-helixtrans-60.7-42.7176.200000112.9M459 G461 A462 Y467 R468M459-G464 VanDerWaalsContact O-CA 3.25Å; M459-G464 WeakPolarHBondContact O-CA 3.25Å; G461-G464 WeakPolarHBondContact O-CA 3.28Å; G461-G464 PolarHBondContact O-N 3.43Å; A462-G464 VanDerWaalsContact C-N 3.28Å; A462-G464 PolarHBondContact O-N 3Å; G464-Y467 PolarHBondContact O-N 3.01Å; G464-R468 WeakPolarHBondContact O-CB 3.31Å; G464-R468 PolarHBondContact O-N 3Å
465E86.9Confident89.5Confident39 Ų3945.8 Ų45.818%0.18225%0.247CC..Hα-helixtrans-65.4-40177.7-70.2-54.9141.900112.5T96 G461 A462 R468 Q469T96-E465 HydrophobicContact CG2-CG 3.84Å; G461-E465 PolarHBondContact O-N 2.76Å; A462-E465 PolarHBondContact O-N 2.77Å; E465-R468 PolarHBondContact O-N 3.38Å; E465-R468 IonicContact OE1-CZ 3.33Å; E465-R468 IonicContact OE1-NH1 2.85Å; E465-R468 PolarHBondContact OE1-NH1 3.47Å; E465-R468 IonicContact OE2-NH1 2.76Å; E465-Q469 PolarHBondContact O-N 2.82Å
466I88Confident89.5Confident19 Ų1942.5 Ų42.510%0.09723%0.226CC..Hα-helixtrans-58.6-51.3172.4-66.5176.9000110.3I38 L393 A462 T463 R468 Q469 F470 F561 L562I38-I466 HydrophobicContact CD1-CD1 3.99Å; I38-I466 HydrophobicContact CD1-CG1 3.61Å; I38-I466 HydrophobicContact CG1-CG1 3.96Å; I38-I466 HydrophobicContact CG2-CD1 4.45Å; I38-I466 HydrophobicContact CG2-CG1 4.32Å; L393-I466 HydrophobicContact CD1-CB 4.05Å; L393-I466 HydrophobicContact CD1-CG1 4.02Å; L393-I466 HydrophobicContact CD1-CG2 3.73Å; L393-I466 HydrophobicContact CD2-CG2 4.2Å; A462-I466 PolarHBondContact O-N 2.96Å; T463-I466 PolarHBondContact O-N 3.42Å; I466-R468 VanDerWaalsContact C-N 3.3Å; I466-R468 PolarHBondContact O-N 2.9Å; I466-Q469 PolarHBondContact O-N 2.83Å; I466-F470 PolarHBondContact O-N 2.82Å; I466-F561 HydrophobicContact CD1-CE1 4.01Å; I466-F561 HydrophobicContact CD1-CE2 4.1Å; I466-F561 HydrophobicContact CD1-CZ 3.45Å; I466-F561 VanDerWaalsContact CD1-CZ 3.45Å; I466-L562 HydrophobicContact CD1-CD2 4.43Å
467Y90.6Very high89.6Confident92 Ų9240.2 Ų40.236%0.36122%0.215SC..Hα-helixtrans-66.5-31.7-178.5-74.3-37.9000113.1M459 T463 G464 F470 S471M459-Y467 HydrophobicContact CE-CD2 3.97Å; M459-Y467 HydrophobicContact CE-CE2 3.83Å; M459-Y467 HydrophobicContact SD-CD2 3.52Å; M459-Y467 VanDerWaalsContact SD-CD2 3.52Å; M459-Y467 HydrophobicContact SD-CE2 3.79Å; T463-Y467 HydrophobicContact CG2-CD2 3.86Å; T463-Y467 HydrophobicContact CG2-CE2 3.42Å; T463-Y467 VanDerWaalsContact CG2-CE2 3.42Å; T463-Y467 WeakPolarHBondContact O-CD2 3.45Å; T463-Y467 PolarHBondContact O-N 3.32Å; G464-Y467 PolarHBondContact O-N 3.01Å; Y467-F470 PolarHBondContact O-N 2.94Å; Y467-S471 WeakPolarHBondContact O-CB 3.46Å; Y467-S471 PolarHBondContact O-N 3.2Å; Y467-S471 PolarHBondContact O-OG 3.04Å
468R91.7Very high89.7Confident82 Ų8239.8 Ų39.831%0.30921%0.21SC..Hα-helixtrans-65.8-41.6177.5-167.5-177.4-79.4156.1-2.4111.7F388 A457 G464 E465 I466 F470 S471 I472F388-R468 HydrophobicContact CE2-CG 4.44Å; F388-R468 HydrophobicContact CZ-CG 3.88Å; A457-R468 HydrophobicContact CB-CG 4.37Å; A457-R468 PolarHBondContact O-NE 2.9Å; A457-R468 PolarHBondContact O-NH2 3.15Å; G464-R468 WeakPolarHBondContact O-CB 3.31Å; G464-R468 PolarHBondContact O-N 3Å; E465-R468 PolarHBondContact O-N 3.38Å; E465-R468 IonicContact OE1-CZ 3.33Å; E465-R468 IonicContact OE1-NH1 2.85Å; E465-R468 PolarHBondContact OE1-NH1 3.47Å; E465-R468 IonicContact OE2-NH1 2.76Å; I466-R468 VanDerWaalsContact C-N 3.3Å; I466-R468 PolarHBondContact O-N 2.9Å; R468-F470 VanDerWaalsContact C-N 3.31Å; R468-F470 PolarHBondContact O-N 3.4Å; R468-S471 PolarHBondContact O-N 3.22Å; R468-I472 HydrophobicContact CG-CD1 3.61Å; R468-I472 HydrophobicContact CG-CG1 4.08Å; R468-I472 WeakPolarHBondContact O-CB 3.24Å; R468-I472 WeakPolarHBondContact O-CG1 3.24Å; R468-I472 PolarHBondContact O-N 3.44Å
469Q91Very high89.8Confident8 Ų836.7 Ų36.74%0.03720%0.201CC..Hα-helixtrans-56-48.7174-65.8-54.8-4800111.3P36 N391 L393 T394 E465 I466 T473P36-Q469 HydrophobicContact CB-CG 3.86Å; P36-Q469 HydrophobicContact CG-CG 3.56Å; N391-Q469 PolarHBondContact ND2-OE1 2.98Å; L393-Q469 HydrophobicContact CB-CB 4.09Å; T394-Q469 HydrophobicContact CG2-CB 3.96Å; T394-Q469 HydrophobicContact CG2-CG 4.4Å; E465-Q469 PolarHBondContact O-N 2.82Å; I466-Q469 PolarHBondContact O-N 2.83Å; Q469-T473 WeakPolarHBondContact O-CB 3.36Å; Q469-T473 PolarHBondContact O-N 2.87Å; Q469-T473 PolarHBondContact O-OG1 3.41Å
470F89.9Confident90Very high52 Ų5233.8 Ų33.823%0.22819%0.187CC..Hα-helixtrans-66.8-47.1-178.2-165.3-101.6000112.1L400 F453 I466 Y467 R468 T473 L474L400-F470 HydrophobicContact CD1-CE2 3.63Å; L400-F470 HydrophobicContact CD1-CZ 3.4Å; F453-F470 HydrophobicContact CE1-CE1 4.06Å; I466-F470 PolarHBondContact O-N 2.82Å; Y467-F470 PolarHBondContact O-N 2.94Å; R468-F470 VanDerWaalsContact C-N 3.31Å; R468-F470 PolarHBondContact O-N 3.4Å; F470-T473 PolarHBondContact O-N 2.98Å; F470-L474 HydrophobicContact CD1-CD1 3.59Å; F470-L474 HydrophobicContact CE1-CD1 3.19Å; F470-L474 HydrophobicContact CE1-CG 4.41Å; F470-L474 HydrophobicContact CE2-CD1 4.49Å; F470-L474 HydrophobicContact CG-CD1 4.4Å; F470-L474 HydrophobicContact CZ-CD1 3.71Å; F470-L474 PolarHBondContact O-N 2.93Å
471S93.4Very high90.4Very high0 Ų028.6 Ų28.60%015%0.151CC..Hα-helixtrans-67.3-46.6-175-57.50000112.2F453 M456 Y467 R468 T473 L474 I475F453-S471 WeakPolarHBondContact O-CB 3.26Å; F453-S471 PolarHBondContact O-OG 2.76Å; M456-S471 WeakPolarHBondContact CB-OG 3.47Å; Y467-S471 WeakPolarHBondContact O-CB 3.46Å; Y467-S471 PolarHBondContact O-N 3.2Å; Y467-S471 PolarHBondContact O-OG 3.04Å; R468-S471 PolarHBondContact O-N 3.22Å; S471-T473 VanDerWaalsContact C-N 3.34Å; S471-T473 PolarHBondContact O-N 3.23Å; S471-L474 PolarHBondContact O-N 3.3Å; S471-I475 WeakPolarHBondContact O-CB 3.34Å; S471-I475 WeakPolarHBondContact O-CD1 3.35Å; S471-I475 WeakPolarHBondContact O-CG1 3.36Å; S471-I475 PolarHBondContact O-N 2.93Å
472I93.2Very high91Very high34 Ų3427.8 Ų27.817%0.17414%0.138CC..Hα-helixtrans-66.5-40.2-179.8-67.3-175.3000110.5V386 F388 R468 S476V386-I472 HydrophobicContact CG1-CD1 4.34Å; F388-I472 HydrophobicContact CD2-CG2 4.46Å; F388-I472 HydrophobicContact CE2-CB 3.86Å; F388-I472 HydrophobicContact CE2-CD1 3.73Å; F388-I472 HydrophobicContact CE2-CG1 4.21Å; F388-I472 HydrophobicContact CE2-CG2 4.13Å; F388-I472 HydrophobicContact CZ-CD1 3.64Å; R468-I472 HydrophobicContact CG-CD1 3.61Å; R468-I472 HydrophobicContact CG-CG1 4.08Å; R468-I472 WeakPolarHBondContact O-CB 3.24Å; R468-I472 WeakPolarHBondContact O-CG1 3.24Å; R468-I472 PolarHBondContact O-N 3.44Å; I472-S476 WeakPolarHBondContact O-CB 3.32Å; I472-S476 PolarHBondContact O-N 2.87Å; I472-S476 PolarHBondContact O-OG 2.74Å
473T93.8Very high91.6Very high0 Ų029.7 Ų29.70%014%0.142CC..Hα-helixtrans-59-50175.9-57.10000110.9T379 M398 Q469 F470 S471 S477T379-T473 HydrophobicContact CG2-CG2 4.13Å; M398-T473 HydrophobicContact CG-CG2 3.62Å; M398-T473 HydrophobicContact SD-CG2 3.92Å; Q469-T473 WeakPolarHBondContact O-CB 3.36Å; Q469-T473 PolarHBondContact O-N 2.87Å; Q469-T473 PolarHBondContact O-OG1 3.41Å; F470-T473 PolarHBondContact O-N 2.98Å; S471-T473 VanDerWaalsContact C-N 3.34Å; S471-T473 PolarHBondContact O-N 3.23Å; T473-S477 WeakPolarHBondContact O-CB 3.38Å; T473-S477 PolarHBondContact O-N 3.05Å; T473-S477 PolarHBondContact O-OG 3.47Å
474L92.5Very high92.1Very high2 Ų227.2 Ų27.21%0.0113%0.127CC..Hα-helixtrans-64.5-50.9179.4-79.5170.8000112.2A401 L404 F453 F470 S471 S476 S477 M478A401-L474 HydrophobicContact CB-CD2 3.92Å; L404-L474 HydrophobicContact CD1-CD2 4.16Å; F453-L474 HydrophobicContact CD1-CD1 3.78Å; F453-L474 HydrophobicContact CD2-CB 4.32Å; F453-L474 HydrophobicContact CD2-CD1 4.29Å; F453-L474 HydrophobicContact CE1-CD1 3.53Å; F453-L474 HydrophobicContact CE2-CD1 4.04Å; F453-L474 HydrophobicContact CG-CB 4.43Å; F453-L474 HydrophobicContact CG-CD1 4.22Å; F453-L474 HydrophobicContact CZ-CD1 3.69Å; F470-L474 HydrophobicContact CD1-CD1 3.59Å; F470-L474 HydrophobicContact CE1-CD1 3.19Å; F470-L474 HydrophobicContact CE1-CG 4.41Å; F470-L474 HydrophobicContact CE2-CD1 4.49Å; F470-L474 HydrophobicContact CG-CD1 4.4Å; F470-L474 HydrophobicContact CZ-CD1 3.71Å; F470-L474 PolarHBondContact O-N 2.93Å; S471-L474 PolarHBondContact O-N 3.3Å; L474-S476 VanDerWaalsContact C-N 3.29Å; L474-S476 PolarHBondContact O-N 3.01Å; L474-S477 WeakPolarHBondContact CA-OG 3.47Å; L474-S477 PolarHBondContact O-N 2.72Å; L474-S477 VanDerWaalsContact O-N 3.16Å; L474-S477 PolarHBondContact O-OG 3.29Å; L474-M478 VanDerWaalsContact O-CG 3.28Å; L474-M478 WeakPolarHBondContact O-CG 3.4Å; L474-M478 PolarHBondContact O-N 2.93Å
475I93.9Very high92.4Very high21 Ų2127.3 Ų27.311%0.10813%0.127CC..Hα-helixtrans-58-44.6179.9-66.5164.1000110.5F453 M454 S471 S477 M478 L479F453-I475 HydrophobicContact CB-CD1 4.07Å; F453-I475 HydrophobicContact CB-CG1 3.93Å; M454-I475 HydrophobicContact CB-CD1 4.15Å; S471-I475 WeakPolarHBondContact O-CB 3.34Å; S471-I475 WeakPolarHBondContact O-CD1 3.35Å; S471-I475 WeakPolarHBondContact O-CG1 3.36Å; S471-I475 PolarHBondContact O-N 2.93Å; I475-S477 PolarHBondContact O-N 3.5Å; I475-M478 PolarHBondContact O-N 2.7Å; I475-L479 HydrophobicContact CG2-CD1 3.89Å; I475-L479 HydrophobicContact CG2-CG 4.33Å; I475-L479 WeakPolarHBondContact O-CB 3.34Å; I475-L479 VanDerWaalsContact O-CG 3.31Å; I475-L479 WeakPolarHBondContact O-CG 3.38Å; I475-L479 PolarHBondContact O-N 3.16Å
476S94Very high92.7Very high12 Ų1226.3 Ų26.38%0.08412%0.123CC..Hα-helixtrans-61.3-46.5178-59.70000111.4I382 I472 L474 M478 L479 L480I382-S476 WeakPolarHBondContact CG2-OG 3.37Å; I472-S476 WeakPolarHBondContact O-CB 3.32Å; I472-S476 PolarHBondContact O-N 2.87Å; I472-S476 PolarHBondContact O-OG 2.74Å; L474-S476 VanDerWaalsContact C-N 3.29Å; L474-S476 PolarHBondContact O-N 3.01Å; S476-M478 PolarHBondContact O-N 2.85Å; S476-L479 PolarHBondContact O-N 2.9Å; S476-L480 WeakPolarHBondContact O-CB 3.48Å; S476-L480 WeakPolarHBondContact O-CG 3.22Å; S476-L480 PolarHBondContact O-N 3.32Å
477S93.4Very high92.9Very high1 Ų125.5 Ų25.51%0.00712%0.119CC..Hα-helixtrans-63.5-38177.1720000112.6V375 T379 A401 T473 L474 I475 S481V375-S477 WeakPolarHBondContact CG1-O 3.25Å; T379-S477 WeakPolarHBondContact OG1-CA 3.45Å; A401-S477 VanDerWaalsContact CB-OG 3.23Å; A401-S477 WeakPolarHBondContact CB-OG 3.41Å; T473-S477 WeakPolarHBondContact O-CB 3.38Å; T473-S477 PolarHBondContact O-N 3.05Å; T473-S477 PolarHBondContact O-OG 3.47Å; L474-S477 WeakPolarHBondContact CA-OG 3.47Å; L474-S477 PolarHBondContact O-N 2.72Å; L474-S477 VanDerWaalsContact O-N 3.16Å; L474-S477 PolarHBondContact O-OG 3.29Å; I475-S477 PolarHBondContact O-N 3.5Å; S477-S481 WeakPolarHBondContact O-CB 3.41Å; S477-S481 PolarHBondContact O-N 2.94Å
478M92.2Very high93.1Very high3 Ų321.1 Ų21.12%0.01510%0.102CC..Hα-helixtrans-69.5-42.8178.1-68.3-55105.800111.8A401 L404 L405 L449 L474 I475 S476 L480 S481 V482A401-M478 HydrophobicContact CB-CE 4.25Å; L404-M478 HydrophobicContact CB-CE 3.33Å; L404-M478 HydrophobicContact CB-SD 3.75Å; L404-M478 HydrophobicContact CD1-CE 4.14Å; L404-M478 HydrophobicContact CD1-SD 4.43Å; L404-M478 HydrophobicContact CG-CE 4.39Å; L405-M478 HydrophobicContact CB-CE 4.4Å; L449-M478 HydrophobicContact CB-CG 4.32Å; L449-M478 HydrophobicContact CD1-CG 4.48Å; L449-M478 HydrophobicContact CD1-SD 3.73Å; L474-M478 VanDerWaalsContact O-CG 3.28Å; L474-M478 WeakPolarHBondContact O-CG 3.4Å; L474-M478 PolarHBondContact O-N 2.93Å; I475-M478 PolarHBondContact O-N 2.7Å; S476-M478 PolarHBondContact O-N 2.85Å; M478-L480 VanDerWaalsContact C-N 3.35Å; M478-S481 WeakPolarHBondContact O-CB 3.38Å; M478-S481 PolarHBondContact O-N 3.27Å; M478-V482 PolarHBondContact O-N 2.95Å
479L93.4Very high93.2Very high94 Ų9417.2 Ų17.249%0.4929%0.087SC..Hα-helixtrans-65.9-39176.9-70.4176000111.7I475 S476 V482 F483I475-L479 HydrophobicContact CG2-CD1 3.89Å; I475-L479 HydrophobicContact CG2-CG 4.33Å; I475-L479 WeakPolarHBondContact O-CB 3.34Å; I475-L479 VanDerWaalsContact O-CG 3.31Å; I475-L479 WeakPolarHBondContact O-CG 3.38Å; I475-L479 PolarHBondContact O-N 3.16Å; S476-L479 PolarHBondContact O-N 2.9Å; L479-V482 WeakPolarHBondContact O-CG1 3.48Å; L479-F483 WeakPolarHBondContact O-CB 3.49Å; L479-F483 PolarHBondContact O-N 2.93Å; L479-F483 VanDerWaalsContact O-N 3.14Å
480L94.2Very high93.2Very high23 Ų2316.9 Ų16.912%0.129%0.085CC..Hα-helixtrans-69.6-38.7173.5-73.6174.8000111.9M19 V375 T379 I382 S476 M478 F483 V484M19-L480 HydrophobicContact SD-CD2 3.9Å; V375-L480 HydrophobicContact CG1-CB 4.04Å; T379-L480 VanDerWaalsContact N-CD1 3.33Å; I382-L480 HydrophobicContact CD1-CD1 3.57Å; I382-L480 HydrophobicContact CD1-CD2 4.28Å; I382-L480 HydrophobicContact CD1-CG 3.86Å; I382-L480 HydrophobicContact CG1-CD1 4.42Å; S476-L480 WeakPolarHBondContact O-CB 3.48Å; S476-L480 WeakPolarHBondContact O-CG 3.22Å; S476-L480 PolarHBondContact O-N 3.32Å; M478-L480 VanDerWaalsContact C-N 3.35Å; L480-F483 PolarHBondContact O-N 3.32Å; L480-V484 WeakPolarHBondContact O-CB 3.32Å; L480-V484 VanDerWaalsContact O-CG2 3.27Å; L480-V484 WeakPolarHBondContact O-CG2 3.37Å; L480-V484 PolarHBondContact O-N 3.13Å
481S93.6Very high93.4Very high3 Ų314.4 Ų14.42%0.0217%0.074CC..Hα-helixtrans-55.6-55175.2176.40000111.3L405 D408 S477 M478 F483 V484 A485L405-S481 WeakPolarHBondContact CA-OG 3.49Å; L405-S481 PolarHBondContact O-OG 2.99Å; D408-S481 PolarHBondContact OD2-OG 3.28Å; S477-S481 WeakPolarHBondContact O-CB 3.41Å; S477-S481 PolarHBondContact O-N 2.94Å; M478-S481 WeakPolarHBondContact O-CB 3.38Å; M478-S481 PolarHBondContact O-N 3.27Å; S481-F483 VanDerWaalsContact C-N 3.28Å; S481-F483 PolarHBondContact O-N 3.29Å; S481-V484 PolarHBondContact O-N 3.13Å; S481-V484 VanDerWaalsContact O-N 3.16Å; S481-A485 WeakPolarHBondContact O-CB 3.38Å; S481-A485 PolarHBondContact O-N 3.08Å
482V93.3Very high93.3Very high17 Ų1714.4 Ų14.410%0.1037%0.074CC..Hα-helixtrans-64.8-35.6-179.674.60000111.6D408 L442 V443 A446 M478 L479 A485 M486D408-V482 PolarHBondContact OD2-N 2.66Å; L442-V482 HydrophobicContact CB-CG2 4.14Å; V443-V482 HydrophobicContact CG2-CG2 4.48Å; A446-V482 HydrophobicContact CB-CB 3.83Å; A446-V482 HydrophobicContact CB-CG1 3.88Å; A446-V482 HydrophobicContact CB-CG2 4.11Å; M478-V482 PolarHBondContact O-N 2.95Å; L479-V482 WeakPolarHBondContact O-CG1 3.48Å; V482-A485 PolarHBondContact O-N 3.15Å; V482-M486 HydrophobicContact CG2-CG 4.44Å; V482-M486 HydrophobicContact CG2-SD 4.21Å; V482-M486 WeakPolarHBondContact O-CB 3.37Å; V482-M486 VanDerWaalsContact O-CG 3.31Å; V482-M486 WeakPolarHBondContact O-CG 3.44Å; V482-M486 PolarHBondContact O-N 2.85Å
483F94.2Very high93.2Very high68 Ų6812.8 Ų12.830%0.2987%0.066SC..Hα-helixtrans-62.1-46.3174.6179.4-94.2000111.6M1 L15 M19 L479 L480 S481 M486 S487M1-F483 HydrophobicContact CE-CD2 3.81Å; M1-F483 HydrophobicContact CE-CE2 3.43Å; M1-F483 VanDerWaalsContact CE-CE2 3.43Å; M1-F483 HydrophobicContact CE-CZ 4.23Å; L15-F483 HydrophobicContact CD1-CZ 4.2Å; M19-F483 HydrophobicContact CE-CD1 4.07Å; M19-F483 HydrophobicContact CE-CE1 3.9Å; M19-F483 HydrophobicContact SD-CD1 4.28Å; M19-F483 HydrophobicContact SD-CE1 4.27Å; L479-F483 WeakPolarHBondContact O-CB 3.49Å; L479-F483 PolarHBondContact O-N 2.93Å; L479-F483 VanDerWaalsContact O-N 3.14Å; L480-F483 PolarHBondContact O-N 3.32Å; S481-F483 VanDerWaalsContact C-N 3.28Å; S481-F483 PolarHBondContact O-N 3.29Å; F483-M486 PolarHBondContact O-N 3.06Å; F483-S487 VanDerWaalsContact O-CB 3.31Å; F483-S487 WeakPolarHBondContact O-CB 3.28Å; F483-S487 PolarHBondContact O-N 3.14Å; F483-S487 PolarHBondContact O-OG 3.19Å
484V94.1Very high92.9Very high2 Ų213.7 Ų13.71%0.0127%0.074CC..Hα-helixtrans-65-43.1177170.70000110.6M19 A371 V374 V375 L480 S481 M486 S487 L488 T489M19-V484 HydrophobicContact CE-CG2 3.99Å; A371-V484 HydrophobicContact CB-CG1 3.76Å; V374-V484 HydrophobicContact CG1-CG2 3.87Å; V375-V484 HydrophobicContact CG2-CB 4.11Å; V375-V484 HydrophobicContact CG2-CG1 4.45Å; V375-V484 HydrophobicContact CG2-CG2 3.86Å; L480-V484 WeakPolarHBondContact O-CB 3.32Å; L480-V484 VanDerWaalsContact O-CG2 3.27Å; L480-V484 WeakPolarHBondContact O-CG2 3.37Å; L480-V484 PolarHBondContact O-N 3.13Å; S481-V484 PolarHBondContact O-N 3.13Å; S481-V484 VanDerWaalsContact O-N 3.16Å; V484-M486 VanDerWaalsContact C-N 3.26Å; V484-M486 PolarHBondContact O-N 3.32Å; V484-S487 PolarHBondContact O-N 3.12Å; V484-S487 VanDerWaalsContact O-N 3.15Å; V484-L488 HydrophobicContact CG1-CB 4.11Å; V484-L488 HydrophobicContact CG1-CD2 4.27Å; V484-L488 PolarHBondContact O-N 3.05Å; V484-T489 PolarHBondContact O-N 3.43Å; V484-T489 PolarHBondContact O-OG1 2.96Å
485A92.6Very high92.8Very high1 Ų117.3 Ų17.31%0.00810%0.096CC..Hα-helixtrans-65.1-26.3176.800000113.7D408 V412 S481 V482 T489 P490D408-A485 HydrophobicContact CB-CB 3.59Å; V412-A485 HydrophobicContact CG2-CB 4.37Å; S481-A485 WeakPolarHBondContact O-CB 3.38Å; S481-A485 PolarHBondContact O-N 3.08Å; V482-A485 PolarHBondContact O-N 3.15Å; A485-T489 WeakPolarHBondContact CA-OG1 3.46Å; A485-P490 WeakPolarHBondContact O-CD 3.46Å; A485-P490 VanDerWaalsContact O-CG 3.23Å; A485-P490 WeakPolarHBondContact O-CG 3.46Å
486M92.8Very high92.5Very high18 Ų1818.3 Ų18.39%0.08910%0.101CC..Hα-helixtrans-92.8-8.9175-71.6-173.958.400114.2M1 A2 M435 Q439 V443 V482 F483 V484M1-M486 HydrophobicContact CB-CE 4.26Å; M1-M486 HydrophobicContact SD-CE 4.45Å; A2-M486 VanDerWaalsContact CA-O 3.22Å; A2-M486 WeakPolarHBondContact CA-O 3.21Å; A2-M486 WeakPolarHBondContact CB-O 3.35Å; M435-M486 HydrophobicContact CE-CG 4.36Å; Q439-M486 HydrophobicContact CG-CE 3.74Å; Q439-M486 HydrophobicContact CG-SD 4.35Å; V443-M486 HydrophobicContact CG2-SD 3.79Å; V482-M486 HydrophobicContact CG2-CG 4.44Å; V482-M486 HydrophobicContact CG2-SD 4.21Å; V482-M486 WeakPolarHBondContact O-CB 3.37Å; V482-M486 VanDerWaalsContact O-CG 3.31Å; V482-M486 WeakPolarHBondContact O-CG 3.44Å; V482-M486 PolarHBondContact O-N 2.85Å; F483-M486 PolarHBondContact O-N 3.06Å; V484-M486 VanDerWaalsContact C-N 3.26Å; V484-M486 PolarHBondContact O-N 3.32Å
487S93.6Very high92Very high2 Ų218.2 Ų18.21%0.01410%0.1CC..Hα-helixtrans-121-70.6-176.360.60000112.6F5 F483 V484F5-S487 WeakPolarHBondContact CB-O 3.42Å; F483-S487 VanDerWaalsContact O-CB 3.31Å; F483-S487 WeakPolarHBondContact O-CB 3.28Å; F483-S487 PolarHBondContact O-N 3.14Å; F483-S487 PolarHBondContact O-OG 3.19Å; V484-S487 PolarHBondContact O-N 3.12Å; V484-S487 VanDerWaalsContact O-N 3.15Å
488L93.8Very high91.3Very high1 Ų124.1 Ų24.11%0.00513%0.125CC..Hα-helixtrans-73.5-47.5-175.9-179.166.8000112A12 W13 A16 I370 V374 V484 A491 L492A12-L488 HydrophobicContact CB-CD1 4.36Å; W13-L488 HydrophobicContact CD2-CD1 4.25Å; W13-L488 HydrophobicContact CG-CD1 4.41Å; A16-L488 HydrophobicContact CB-CD1 4.24Å; A16-L488 HydrophobicContact CB-CD2 3.78Å; A16-L488 HydrophobicContact CB-CG 4.48Å; I370-L488 HydrophobicContact CG2-CD2 4.22Å; V374-L488 HydrophobicContact CG2-CD2 4.2Å; V484-L488 HydrophobicContact CG1-CB 4.11Å; V484-L488 HydrophobicContact CG1-CD2 4.27Å; V484-L488 PolarHBondContact O-N 3.05Å; L488-A491 WeakPolarHBondContact O-CB 3.4Å; L488-A491 PolarHBondContact O-N 3.37Å; L488-A491 VanDerWaalsContact O-N 3.13Å; L488-L492 HydrophobicContact CD1-CD1 4.08Å; L488-L492 HydrophobicContact CD1-CD2 4.23Å; L488-L492 HydrophobicContact CD1-CG 3.92Å; L488-L492 HydrophobicContact CD2-CD1 4.1Å; L488-L492 HydrophobicContact CG-CD1 3.71Å; L488-L492 HydrophobicContact CG-CG 3.98Å; L488-L492 WeakPolarHBondContact O-CG 3.22Å; L488-L492 PolarHBondContact O-N 3.49Å
489T93.4Very high90.1Very high0 Ų026.7 Ų26.70%015%0.147CC..Hα-helixtrans-58.7-45.2-174.3-51.30000113I367 A409 V412 V413 V484 A485 A491 L492 C493I367-T489 HydrophobicContact CG2-CG2 3.78Å; A409-T489 HydrophobicContact CB-CG2 4.18Å; V412-T489 HydrophobicContact CB-CG2 3.84Å; V412-T489 HydrophobicContact CG1-CG2 3.7Å; V412-T489 HydrophobicContact CG2-CG2 4.5Å; V413-T489 HydrophobicContact CG2-CG2 4.13Å; V484-T489 PolarHBondContact O-N 3.43Å; V484-T489 PolarHBondContact O-OG1 2.96Å; A485-T489 WeakPolarHBondContact CA-OG1 3.46Å; T489-A491 PolarHBondContact O-N 3.13Å; T489-L492 PolarHBondContact O-N 3.2Å; T489-C493 WeakPolarHBondContact O-CB 3.37Å; T489-C493 PolarHBondContact O-N 3.05Å; T489-C493 PolarHBondContact O-SG 2.93Å
490P92.3Very high88.6Confident0 Ų024.7 Ų24.70%014%0.144CC..Hα-helixtrans-67.1-36.9177.2-20.936000112A2 I6 V412 T431 M435 A485 C493 A494A2-P490 HydrophobicContact CB-CG 4.3Å; I6-P490 HydrophobicContact CD1-CB 3.98Å; I6-P490 HydrophobicContact CG1-CB 3.64Å; V412-P490 HydrophobicContact CG1-CG 4.33Å; T431-P490 HydrophobicContact CG2-CB 3.68Å; T431-P490 WeakPolarHBondContact CG2-O 3.49Å; M435-P490 HydrophobicContact CE-CG 4.02Å; M435-P490 HydrophobicContact CG-CB 4.01Å; M435-P490 HydrophobicContact CG-CG 4.01Å; M435-P490 HydrophobicContact SD-CB 4.23Å; M435-P490 HydrophobicContact SD-CG 3.62Å; A485-P490 WeakPolarHBondContact O-CD 3.46Å; A485-P490 VanDerWaalsContact O-CG 3.23Å; A485-P490 WeakPolarHBondContact O-CG 3.46Å; P490-C493 WeakPolarHBondContact O-CB 3.37Å; P490-C493 PolarHBondContact O-N 2.88Å; P490-A494 PolarHBondContact O-N 3.48Å
491A92.8Very high86.8Confident0 Ų026.7 Ų26.70%016%0.158CC..Hα-helixtrans-64.1-41.9175.400000112P9 A12 L488 T489 C493 T495P9-A491 HydrophobicContact CB-CB 4.17Å; A12-A491 HydrophobicContact CB-CB 3.8Å; L488-A491 WeakPolarHBondContact O-CB 3.4Å; L488-A491 PolarHBondContact O-N 3.37Å; L488-A491 VanDerWaalsContact O-N 3.13Å; T489-A491 PolarHBondContact O-N 3.13Å; A491-C493 VanDerWaalsContact C-N 3.33Å; A491-T495 WeakPolarHBondContact O-CB 3.41Å; A491-T495 WeakPolarHBondContact O-CG2 3.19Å; A491-T495 PolarHBondContact O-N 2.9Å; A491-T495 PolarHBondContact O-OG1 3.41Å
492L91.9Very high84.4Confident0 Ų036.4 Ų36.40%020%0.203CC..Hα-helixtrans-64.8-39.5172.8-67.6178.7000111W13 I367 I370 L488 T489 A494 T495 I496W13-L492 HydrophobicContact CH2-CD2 4.35Å; W13-L492 HydrophobicContact CZ2-CD2 3.4Å; W13-L492 VanDerWaalsContact CZ2-CD2 3.4Å; I367-L492 HydrophobicContact CB-CB 4.5Å; I367-L492 HydrophobicContact CD1-CB 4.48Å; I367-L492 HydrophobicContact CG1-CB 4.09Å; I367-L492 HydrophobicContact CG2-CB 3.81Å; I367-L492 HydrophobicContact CG2-CD1 4.12Å; I370-L492 HydrophobicContact CB-CD1 4.34Å; I370-L492 HydrophobicContact CG2-CD1 4.2Å; L488-L492 HydrophobicContact CD1-CD1 4.08Å; L488-L492 HydrophobicContact CD1-CD2 4.23Å; L488-L492 HydrophobicContact CD1-CG 3.92Å; L488-L492 HydrophobicContact CD2-CD1 4.1Å; L488-L492 HydrophobicContact CG-CD1 3.71Å; L488-L492 HydrophobicContact CG-CG 3.98Å; L488-L492 WeakPolarHBondContact O-CG 3.22Å; L488-L492 PolarHBondContact O-N 3.49Å; T489-L492 PolarHBondContact O-N 3.2Å; L492-A494 PolarHBondContact O-N 3.28Å; L492-T495 WeakPolarHBondContact CA-OG1 3.23Å; L492-T495 PolarHBondContact O-N 3.42Å; L492-T495 PolarHBondContact O-OG1 3.16Å; L492-I496 HydrophobicContact CB-CD1 4.35Å; L492-I496 HydrophobicContact CD2-CD1 3.8Å; L492-I496 VanDerWaalsContact O-CB 3.28Å; L492-I496 WeakPolarHBondContact O-CB 3.45Å; L492-I496 PolarHBondContact O-N 3.14Å
493C91Very high82.3Confident0 Ų039.5 Ų39.50%024%0.239CC..Hα-helixtrans-59.6-49.3177.4-71.90000111.9V416 T431 T489 P490 A491 T495 L497V416-C493 HydrophobicContact CG1-CB 4.31Å; V416-C493 HydrophobicContact CG2-CB 4.31Å; T431-C493 HydrophobicContact CG2-CB 4.06Å; T489-C493 WeakPolarHBondContact O-CB 3.37Å; T489-C493 PolarHBondContact O-N 3.05Å; T489-C493 PolarHBondContact O-SG 2.93Å; P490-C493 WeakPolarHBondContact O-CB 3.37Å; P490-C493 PolarHBondContact O-N 2.88Å; A491-C493 VanDerWaalsContact C-N 3.33Å; C493-T495 PolarHBondContact O-N 3.38Å; C493-L497 HydrophobicContact CB-CD1 3.75Å; C493-L497 WeakPolarHBondContact O-CB 3.37Å; C493-L497 VanDerWaalsContact O-CD1 3.32Å; C493-L497 WeakPolarHBondContact O-CD1 3.33Å; C493-L497 PolarHBondContact O-N 2.86Å
494A88.9Confident80.2Confident20 Ų2038.5 Ų38.517%0.16525%0.248CC..Hα-helixtrans-66.1-23.6-179.800000114.1I6 K428 P490 L492I6-A494 HydrophobicContact CG2-CB 3.88Å; K428-A494 HydrophobicContact CB-CB 4.28Å; K428-A494 HydrophobicContact CG-CB 4.25Å; P490-A494 PolarHBondContact O-N 3.48Å; L492-A494 PolarHBondContact O-N 3.28Å
495T89Confident78.3Confident78 Ų7846.1 Ų46.148%0.47928%0.283SS..Hα-helixtrans-102.9-31.9-174.852.40000114.2P9 A491 L492 C493P9-T495 HydrophobicContact CB-CG2 3.85Å; P9-T495 HydrophobicContact CG-CG2 4.07Å; A491-T495 WeakPolarHBondContact O-CB 3.41Å; A491-T495 WeakPolarHBondContact O-CG2 3.19Å; A491-T495 PolarHBondContact O-N 2.9Å; A491-T495 PolarHBondContact O-OG1 3.41Å; L492-T495 WeakPolarHBondContact CA-OG1 3.23Å; L492-T495 PolarHBondContact O-N 3.42Å; L492-T495 PolarHBondContact O-OG1 3.16Å; C493-T495 PolarHBondContact O-N 3.38Å
496I88.3Confident76.7Confident41 Ų4155.5 Ų55.521%0.2132%0.323CS..Hα-helixtrans-100.7-36.4-173-65-179.9000112.3R363 I367 L492R363-I496 HydrophobicContact CB-CG2 3.83Å; R363-I496 HydrophobicContact CG-CG2 4.39Å; I367-I496 HydrophobicContact CD1-CB 4.19Å; I367-I496 HydrophobicContact CD1-CG2 4.25Å; I367-I496 HydrophobicContact CG1-CB 4.41Å; I367-I496 HydrophobicContact CG1-CD1 4.39Å; I367-I496 HydrophobicContact CG1-CG2 4.31Å; L492-I496 HydrophobicContact CB-CD1 4.35Å; L492-I496 HydrophobicContact CD2-CD1 3.8Å; L492-I496 VanDerWaalsContact O-CB 3.28Å; L492-I496 WeakPolarHBondContact O-CB 3.45Å; L492-I496 PolarHBondContact O-N 3.14Å
497L83.8Confident75.3Confident10 Ų1057.1 Ų57.15%0.05234%0.335CS..PPolyproline II helixtrans-66146178.9-82.397.3000111.1I367 V416 E417 I420 P427 C493I367-L497 HydrophobicContact CD1-CD1 3.29Å; I367-L497 HydrophobicContact CD1-CG 4.34Å; V416-L497 HydrophobicContact CG1-CD2 4.29Å; E417-L497 VanDerWaalsContact CD-CD2 3.45Å; E417-L497 HydrophobicContact CG-CD2 3.72Å; E417-L497 WeakPolarHBondContact OE1-CD2 3.37Å; I420-L497 HydrophobicContact CD1-CB 4.33Å; I420-L497 HydrophobicContact CD1-CD2 3.83Å; P427-L497 HydrophobicContact CB-CB 4.28Å; P427-L497 WeakPolarHBondContact CG-O 3.37Å; C493-L497 HydrophobicContact CB-CD1 3.75Å; C493-L497 WeakPolarHBondContact O-CB 3.37Å; C493-L497 VanDerWaalsContact O-CD1 3.32Å; C493-L497 WeakPolarHBondContact O-CD1 3.33Å; C493-L497 PolarHBondContact O-N 2.86Å
498K77.7Confident74.3Confident126 Ų12662.6 Ų62.655%0.54836%0.364SS..PPolyproline II helixtrans-97.5147.9171.3-77.3-178.2165.6178.80109R363R363-K498 VanDerWaalsContact CZ-CE 3.48Å; R363-K498 VanDerWaalsContact NH1-CE 3.31Å
499A68Low73.6Confident56 Ų5666.3 Ų66.346%0.46340%0.395SS..PPolyproline II helixtrans-58.6146167.200000109.9P427P427-A499 HydrophobicContact CG-CB 4.5Å
500A62.3Low73.1Confident53 Ų5372.1 Ų72.144%0.43843%0.426SS..PPolyproline II helixtrans-56.4125.9173.600000109.3I420 E502I420-A500 HydrophobicContact CG2-CB 3.99Å; A500-E502 PolarHBondContact O-N 3.25Å
501P56.2Low72.8Confident64 Ų6473.6 Ų73.642%0.41643%0.432SS..PPolyproline II helixtrans-64.9139177.220-24.4000109.9G503 G504 H505P501-G503 PolarHBondContact O-N 3.21Å; P501-G504 PolarHBondContact O-N 3.26Å; P501-H505 VanDerWaalsContact CG-ND1 3.28Å; P501-H505 WeakPolarHBondContact CG-ND1 3.43Å
502E42.9Very low72.3Confident208 Ų20875.2 Ų75.297%0.97245%0.445SS*.THydrogen-bonded Turntrans-59.6101172.1-68-167.1158.200109.1A500A500-E502 PolarHBondContact O-N 3.25Å
503G48.8Very low72Confident82 Ų8284.7 Ų84.785%0.84548%0.481SS*.THydrogen-bonded Turntrans126.2-9-17600000115.6P501P501-G503 PolarHBondContact O-N 3.21Å
504G50.3Low72Confident47 Ų4787.2 Ų87.249%0.48549%0.492SS..  trans75.2141.2-179.800000113P501 K506P501-G504 PolarHBondContact O-N 3.26Å; G504-K506 PolarHBondContact O-N 3.25Å
505H53.7Low71.9Confident162 Ų16288.9 Ų88.975%0.7550%0.498SS*.  trans-62126.2167.4-102.246.5000108.3P501 P507P501-H505 VanDerWaalsContact CG-ND1 3.28Å; P501-H505 WeakPolarHBondContact CG-ND1 3.43Å; H505-P507 WeakPolarHBondContact O-CD 3.27Å
506K58.6Low71.7Confident197 Ų19788.4 Ų88.486%0.85750%0.496SS*.  trans-76.7105.6167-75.6-174.2178.3179.60107.6G504G504-K506 PolarHBondContact O-N 3.25Å
507P63.8Low71.9Confident53 Ų5391.9 Ų91.934%0.34451%0.514SS..  trans-66.4149.7-179.327.3-31.2000109.8H505 F511 A512H505-P507 WeakPolarHBondContact O-CD 3.27Å; P507-F511 HydrophobicContact CB-CB 3.86Å; P507-A512 HydrophobicContact CG-CB 3.94Å
508N73.9Confident72.2Confident116 Ų11696.1 Ų96.162%0.6253%0.532SS*.  trans-54.7150.8172.1-68.5-15.6000109.8L510 F511 A512N508-L510 PolarHBondContact O-N 2.88Å; N508-F511 HydrophobicContact CB-CD2 4Å; N508-F511 CarbonylContact O-C 3.6Å; N508-F511 WeakPolarHBondContact O-CA 3.36Å; N508-F511 WeakPolarHBondContact O-CB 3.33Å; N508-F511 PolarHBondContact O-N 3.08Å; N508-A512 PolarHBondContact O-N 3.08Å
509A78.4Confident72.6Confident79 Ų7996.7 Ų96.765%0.65354%0.537SS*.Hα-helixtrans-52.7-32.9-172.400000114.4R513A509-R513 WeakPolarHBondContact O-CG 3.42Å; A509-R513 PolarHBondContact O-N 2.87Å; A509-R513 VanDerWaalsContact O-N 3.14Å
510L83.8Confident73.7Confident123 Ų123100.9 Ų100.964%0.64454%0.544SS*.Hα-helixtrans-67.8-46.6175.4-170.8143.1000112.1N508 R513 F514N508-L510 PolarHBondContact O-N 2.88Å; L510-R513 PolarHBondContact O-N 2.97Å; L510-F514 PolarHBondContact O-N 2.81Å
511F84.5Confident75.2Confident30 Ų30101.4 Ų101.413%0.13255%0.545CS..Hα-helixtrans-67.3-37.6175.9-72-40.9000112.7Y356 L357 Q360 P507 N508 R513 F514 N515Y356-F511 HydrophobicContact CE1-CZ 4.08Å; L357-F511 HydrophobicContact CD1-CE1 4.23Å; Q360-F511 HydrophobicContact CB-CG 4.49Å; Q360-F511 VanDerWaalsContact CD-CB 3.48Å; Q360-F511 HydrophobicContact CG-CB 4.24Å; Q360-F511 HydrophobicContact CG-CD1 3.71Å; Q360-F511 HydrophobicContact CG-CD2 4.32Å; Q360-F511 HydrophobicContact CG-CE1 4.12Å; Q360-F511 HydrophobicContact CG-CG 3.85Å; P507-F511 HydrophobicContact CB-CB 3.86Å; N508-F511 HydrophobicContact CB-CD2 4Å; N508-F511 CarbonylContact O-C 3.6Å; N508-F511 WeakPolarHBondContact O-CA 3.36Å; N508-F511 WeakPolarHBondContact O-CB 3.33Å; N508-F511 PolarHBondContact O-N 3.08Å; F511-R513 VanDerWaalsContact C-N 3.33Å; F511-R513 PolarHBondContact O-N 2.87Å; F511-F514 PolarHBondContact O-N 2.93Å; F511-N515 VanDerWaalsContact O-CG 3.22Å; F511-N515 PolarHBondContact O-N 3.07Å; F511-N515 PolarHBondContact O-OD1 3.44Å
512A82Confident77Confident34 Ų34101.2 Ų101.228%0.28154%0.543SS..Hα-helixtrans-59.4-44.4173.100000111.6P507 N508 N515 T516P507-A512 HydrophobicContact CG-CB 3.94Å; N508-A512 PolarHBondContact O-N 3.08Å; A512-N515 PolarHBondContact O-N 2.9Å; A512-T516 PolarHBondContact O-N 3.33Å; A512-T516 PolarHBondContact O-OG1 2.74Å
513R87.3Confident79.2Confident200 Ų20096.4 Ų96.476%0.75552%0.52SS*.Hα-helixtrans-63.3-44175.3-78.1-179.4176.7-176.30.1112A509 L510 F511 T516 L517A509-R513 WeakPolarHBondContact O-CG 3.42Å; A509-R513 PolarHBondContact O-N 2.87Å; A509-R513 VanDerWaalsContact O-N 3.14Å; L510-R513 PolarHBondContact O-N 2.97Å; F511-R513 VanDerWaalsContact C-N 3.33Å; F511-R513 PolarHBondContact O-N 2.87Å; R513-T516 PolarHBondContact O-N 3.05Å; R513-L517 WeakPolarHBondContact O-CB 3.34Å; R513-L517 PolarHBondContact O-N 3.23Å
514F89.6Confident81.3Confident52 Ų5298.9 Ų98.923%0.22851%0.509CS..Hα-helixtrans-57.9-50.2176.3-179.5-97.7000111.1L357 F358 L510 F511 T516 L517 F518L357-F514 HydrophobicContact CD1-CD2 4.47Å; L357-F514 HydrophobicContact CD2-CE2 4.12Å; L357-F514 HydrophobicContact CD2-CZ 4.28Å; L357-F514 HydrophobicContact CG-CE1 4.46Å; L357-F514 HydrophobicContact CG-CE2 4.26Å; L357-F514 HydrophobicContact CG-CZ 4.18Å; F358-F514 HydrophobicContact CD1-CE1 4.08Å; F358-F514 HydrophobicContact CD1-CZ 4.17Å; F358-F514 HydrophobicContact CE1-CE1 4.18Å; F358-F514 AromaticContact CE1-CZ 3.85Å; F358-F514 HydrophobicContact CE1-CZ 3.85Å; F358-F514 HydrophobicContact CZ-CZ 4.15Å; L510-F514 PolarHBondContact O-N 2.81Å; F511-F514 PolarHBondContact O-N 2.93Å; F514-T516 VanDerWaalsContact C-N 3.33Å; F514-T516 PolarHBondContact O-N 3.33Å; F514-L517 PolarHBondContact O-N 3.49Å; F514-L517 VanDerWaalsContact O-N 3.16Å; F514-F518 VanDerWaalsContact O-CB 3.32Å; F514-F518 WeakPolarHBondContact O-CB 3.42Å; F514-F518 PolarHBondContact O-N 3.46Å
515N86.3Confident83.5Confident55 Ų55104.1 Ų104.129%0.29452%0.516SS..Hα-helixtrans-60.1-43.6179.6-64.5-6.2000111.6Q360 F511 A512 L517 F518 E519Q360-N515 PolarHBondContact NE2-OD1 3.07Å; Q360-N515 PolarHBondContact OE1-ND2 3.4Å; Q360-N515 VanDerWaalsContact OE1-ND2 3.13Å; F511-N515 VanDerWaalsContact O-CG 3.22Å; F511-N515 PolarHBondContact O-N 3.07Å; F511-N515 PolarHBondContact O-OD1 3.44Å; A512-N515 PolarHBondContact O-N 2.9Å; N515-L517 VanDerWaalsContact C-N 3.33Å; N515-L517 PolarHBondContact O-N 2.87Å; N515-F518 PolarHBondContact O-N 3.31Å; N515-E519 WeakPolarHBondContact O-CB 3.34Å; N515-E519 PolarHBondContact O-N 3.22Å
516T86.5Confident85.4Confident69 Ų6999.3 Ų99.342%0.42350%0.498SS..Hα-helixtrans-65-38.1178.9-41.60000111.9A512 R513 F514 K520A512-T516 PolarHBondContact O-N 3.33Å; A512-T516 PolarHBondContact O-OG1 2.74Å; R513-T516 PolarHBondContact O-N 3.05Å; F514-T516 VanDerWaalsContact C-N 3.33Å; F514-T516 PolarHBondContact O-N 3.33Å; T516-K520 VanDerWaalsContact O-CG 3.28Å; T516-K520 WeakPolarHBondContact O-CG 3.49Å; T516-K520 PolarHBondContact O-N 3.38Å
517L92.1Very high86.9Confident114 Ų11493.3 Ų93.360%0.59748%0.475SS*.Hα-helixtrans-70.9-40.5176.9-173.571.6000111.2R513 F514 N515 K520 S521R513-L517 WeakPolarHBondContact O-CB 3.34Å; R513-L517 PolarHBondContact O-N 3.23Å; F514-L517 PolarHBondContact O-N 3.49Å; F514-L517 VanDerWaalsContact O-N 3.16Å; N515-L517 VanDerWaalsContact C-N 3.33Å; N515-L517 PolarHBondContact O-N 2.87Å; L517-K520 PolarHBondContact O-N 3.22Å; L517-S521 WeakPolarHBondContact O-CB 3.34Å; L517-S521 PolarHBondContact O-N 3.38Å; L517-S521 PolarHBondContact O-OG 3.22Å
518F89.7Confident88Confident99 Ų9992.9 Ų92.943%0.43447%0.473SS..Hα-helixtrans-64.2-48.2177.9-170.8-101.6000110.9F358 F514 N515 K520 S521 T522F358-F518 HydrophobicContact CE1-CD2 4.18Å; F358-F518 AromaticContact CE1-CE2 3.72Å; F358-F518 HydrophobicContact CE1-CE2 3.72Å; F358-F518 HydrophobicContact CE1-CZ 4.1Å; F514-F518 VanDerWaalsContact O-CB 3.32Å; F514-F518 WeakPolarHBondContact O-CB 3.42Å; F514-F518 PolarHBondContact O-N 3.46Å; N515-F518 PolarHBondContact O-N 3.31Å; F518-K520 VanDerWaalsContact C-N 3.34Å; F518-K520 PolarHBondContact O-N 3.02Å; F518-S521 CarbonylContact O-C 3.56Å; F518-S521 WeakPolarHBondContact O-CA 2.96Å; F518-S521 WeakPolarHBondContact O-CB 3.45Å; F518-S521 PolarHBondContact O-N 2.83Å; F518-T522 PolarHBondContact O-N 3.34Å; F518-T522 PolarHBondContact O-OG1 2.96Å; F518-T522 VanDerWaalsContact O-OG1 3.08Å
519E87Confident88.8Confident137 Ų13789.6 Ų89.664%0.6446%0.458SS*.Hα-helixtrans-57.2-44.9174.3-82.9179.4171.700112.5N515 S521 T522 Q523N515-E519 WeakPolarHBondContact O-CB 3.34Å; N515-E519 PolarHBondContact O-N 3.22Å; E519-S521 VanDerWaalsContact C-N 3.27Å; E519-S521 PolarHBondContact O-N 3.27Å; E519-T522 PolarHBondContact O-N 2.91Å; E519-Q523 WeakPolarHBondContact O-CB 3.34Å; E519-Q523 PolarHBondContact O-N 3.41Å
520K91Very high89.3Confident144 Ų14493.4 Ų93.463%0.62646%0.455SS*.Hα-helixtrans-59.8-40.2174.5-76.4176.1-178.6-177.80111.9T516 L517 F518 H524T516-K520 VanDerWaalsContact O-CG 3.28Å; T516-K520 WeakPolarHBondContact O-CG 3.49Å; T516-K520 PolarHBondContact O-N 3.38Å; L517-K520 PolarHBondContact O-N 3.22Å; F518-K520 VanDerWaalsContact C-N 3.34Å; F518-K520 PolarHBondContact O-N 3.02Å; K520-H524 WeakPolarHBondContact O-CB 3.36Å; K520-H524 PolarHBondContact O-N 3.48Å
521S93.8Very high89.3Confident65 Ų6590.9 Ų90.946%0.45545%0.447SS..Hα-helixtrans-68.2-41.4178.4-56.60000111.4L517 F518 E519 H524 Y525L517-S521 WeakPolarHBondContact O-CB 3.34Å; L517-S521 PolarHBondContact O-N 3.38Å; L517-S521 PolarHBondContact O-OG 3.22Å; F518-S521 CarbonylContact O-C 3.56Å; F518-S521 WeakPolarHBondContact O-CA 2.96Å; F518-S521 WeakPolarHBondContact O-CB 3.45Å; F518-S521 PolarHBondContact O-N 2.83Å; E519-S521 VanDerWaalsContact C-N 3.27Å; E519-S521 PolarHBondContact O-N 3.27Å; S521-H524 PolarHBondContact O-N 3.47Å; S521-Y525 WeakPolarHBondContact O-CB 3.44Å; S521-Y525 PolarHBondContact O-N 3.33Å
522T92.4Very high89.5Confident59 Ų5992.6 Ų92.636%0.36246%0.458SS..Hα-helixtrans-63.7-43.5175-58.70000111.6F518 E519 H524 Y525 T526F518-T522 PolarHBondContact O-N 3.34Å; F518-T522 PolarHBondContact O-OG1 2.96Å; F518-T522 VanDerWaalsContact O-OG1 3.08Å; E519-T522 PolarHBondContact O-N 2.91Å; T522-H524 VanDerWaalsContact C-N 3.34Å; T522-H524 PolarHBondContact O-N 3.04Å; T522-Y525 PolarHBondContact O-N 3.11Å; T522-T526 WeakPolarHBondContact O-CG2 3.36Å; T522-T526 PolarHBondContact O-N 3.31Å; T522-T526 PolarHBondContact O-OG1 2.86Å
523Q90.7Very high89.7Confident107 Ų10796.9 Ų96.950%0.548%0.475SS..Hα-helixtrans-62.8-43.6175.2-169.86040.200110.8E519 Y525 T526 D527E519-Q523 WeakPolarHBondContact O-CB 3.34Å; E519-Q523 PolarHBondContact O-N 3.41Å; Q523-Y525 PolarHBondContact O-N 3.02Å; Q523-T526 WeakPolarHBondContact CA-OG1 3.4Å; Q523-T526 PolarHBondContact O-N 3.46Å; Q523-T526 PolarHBondContact O-OG1 3.39Å; Q523-D527 PolarHBondContact NE2-OD1 3.38Å; Q523-D527 PolarHBondContact NE2-OD2 3.33Å; Q523-D527 VanDerWaalsContact NE2-OD2 3.08Å; Q523-D527 WeakPolarHBondContact O-CB 3.39Å; Q523-D527 PolarHBondContact O-N 2.92Å
524H92.9Very high89.7Confident134 Ų13497.1 Ų97.162%0.6248%0.476SS*.Hα-helixtrans-63-41.5176.2-17166.2000112.8K520 S521 T522 S528K520-H524 WeakPolarHBondContact O-CB 3.36Å; K520-H524 PolarHBondContact O-N 3.48Å; S521-H524 PolarHBondContact O-N 3.47Å; T522-H524 VanDerWaalsContact C-N 3.34Å; T522-H524 PolarHBondContact O-N 3.04Å; H524-S528 WeakPolarHBondContact O-CB 3.43Å; H524-S528 PolarHBondContact O-N 3.28Å; H524-S528 PolarHBondContact O-OG 2.79Å
525Y95.2Very high89.4Confident158 Ų15897.8 Ų97.862%0.6249%0.487SS*.Hα-helixtrans-63.4-45.7176168.6-105.2000112.1S521 T522 Q523 S528 T529S521-Y525 WeakPolarHBondContact O-CB 3.44Å; S521-Y525 PolarHBondContact O-N 3.33Å; T522-Y525 PolarHBondContact O-N 3.11Å; Q523-Y525 PolarHBondContact O-N 3.02Å; Y525-S528 PolarHBondContact O-N 3.14Å; Y525-T529 WeakPolarHBondContact O-CB 3.41Å; Y525-T529 PolarHBondContact O-N 2.86Å; Y525-T529 PolarHBondContact O-OG1 3.39Å
526T93Very high89.4Confident60 Ų6099.4 Ų99.437%0.36850%0.499SS..Hα-helixtrans-66.1-42.4179.349.70000112T522 Q523 T529 R530T522-T526 WeakPolarHBondContact O-CG2 3.36Å; T522-T526 PolarHBondContact O-N 3.31Å; T522-T526 PolarHBondContact O-OG1 2.86Å; Q523-T526 WeakPolarHBondContact CA-OG1 3.4Å; Q523-T526 PolarHBondContact O-N 3.46Å; Q523-T526 PolarHBondContact O-OG1 3.39Å; T526-T529 PolarHBondContact O-N 2.73Å; T526-R530 WeakPolarHBondContact O-CB 3.42Å; T526-R530 PolarHBondContact O-N 2.82Å
527D90.1Very high89.5Confident72 Ų7298.4 Ų98.439%0.38550%0.502SS..Hα-helixtrans-65.9-38.9175.4-71.6-33.7000111.8Q523 R530 S531Q523-D527 PolarHBondContact NE2-OD1 3.38Å; Q523-D527 PolarHBondContact NE2-OD2 3.33Å; Q523-D527 VanDerWaalsContact NE2-OD2 3.08Å; Q523-D527 WeakPolarHBondContact O-CB 3.39Å; Q523-D527 PolarHBondContact O-N 2.92Å; D527-R530 PolarHBondContact O-N 3.08Å; D527-S531 PolarHBondContact O-N 2.92Å
528S88.7Confident89.3Confident43 Ų43102.1 Ų102.130%0.30151%0.508SS..Hα-helixtrans-64.2-45174.7-640000111.7H524 Y525 R530 S531 L532H524-S528 WeakPolarHBondContact O-CB 3.43Å; H524-S528 PolarHBondContact O-N 3.28Å; H524-S528 PolarHBondContact O-OG 2.79Å; Y525-S528 PolarHBondContact O-N 3.14Å; S528-R530 VanDerWaalsContact C-N 3.31Å; S528-R530 PolarHBondContact O-N 3.27Å; S528-S531 WeakPolarHBondContact O-CA 3.13Å; S528-S531 WeakPolarHBondContact O-CB 3.26Å; S528-S531 PolarHBondContact O-N 3.44Å; S528-S531 VanDerWaalsContact O-N 3.08Å; S528-L532 WeakPolarHBondContact O-CD1 3.48Å; S528-L532 PolarHBondContact O-N 3.49Å
529T90.3Very high89.3Confident48 Ų48102 Ų10229%0.29451%0.505SS..Hα-helixtrans-62.7-39.8177.4-54.60000111.1Y525 T526 S531 L532 L533Y525-T529 WeakPolarHBondContact O-CB 3.41Å; Y525-T529 PolarHBondContact O-N 2.86Å; Y525-T529 PolarHBondContact O-OG1 3.39Å; T526-T529 PolarHBondContact O-N 2.73Å; T529-S531 VanDerWaalsContact C-N 3.3Å; T529-S531 PolarHBondContact O-N 2.93Å; T529-L532 WeakPolarHBondContact O-CB 3.49Å; T529-L532 PolarHBondContact O-N 3.21Å; T529-L533 HydrophobicContact CG2-CD1 4.48Å; T529-L533 WeakPolarHBondContact O-CG 3.38Å; T529-L533 PolarHBondContact O-N 3.48Å
530R88.3Confident89.5Confident159 Ų159101.3 Ų101.360%0.650%0.503SS*.Hα-helixtrans-61.7-37.7173.2-176.8-176.8-76.4175.5-4.4112.1T526 D527 S528T526-R530 WeakPolarHBondContact O-CB 3.42Å; T526-R530 PolarHBondContact O-N 2.82Å; D527-R530 PolarHBondContact O-N 3.08Å; S528-R530 VanDerWaalsContact C-N 3.31Å; S528-R530 PolarHBondContact O-N 3.27Å
531S84.5Confident89.6Confident69 Ų6998.5 Ų98.548%0.48350%0.498SS..Hα-helixtrans-68.5-43.5174.6-1670000111.9D527 S528 T529 L533 R534D527-S531 PolarHBondContact O-N 2.92Å; S528-S531 WeakPolarHBondContact O-CA 3.13Å; S528-S531 WeakPolarHBondContact O-CB 3.26Å; S528-S531 PolarHBondContact O-N 3.44Å; S528-S531 VanDerWaalsContact O-N 3.08Å; T529-S531 VanDerWaalsContact C-N 3.3Å; T529-S531 PolarHBondContact O-N 2.93Å; S531-L533 VanDerWaalsContact C-N 3.31Å; S531-L533 PolarHBondContact O-N 2.93Å; S531-R534 WeakPolarHBondContact O-CB 3.39Å; S531-R534 PolarHBondContact O-N 3.3Å
532L87.2Confident89.6Confident66 Ų6698.4 Ų98.435%0.34650%0.495SS..Hα-helixtrans-55-44.4175.5-101.2123.9000112.4S528 T529 R534 C535 Y539S528-L532 WeakPolarHBondContact O-CD1 3.48Å; S528-L532 PolarHBondContact O-N 3.49Å; T529-L532 WeakPolarHBondContact O-CB 3.49Å; T529-L532 PolarHBondContact O-N 3.21Å; L532-R534 PolarHBondContact O-N 3.3Å; L532-C535 CarbonylContact O-C 3.49Å; L532-C535 PolarHBondContact O-N 2.85Å; L532-Y539 HydrophobicContact CB-CD2 4.38Å; L532-Y539 HydrophobicContact CB-CE2 4.21Å; L532-Y539 HydrophobicContact CD1-CE1 4.42Å; L532-Y539 HydrophobicContact CD2-CD1 3.35Å; L532-Y539 HydrophobicContact CD2-CD2 3.58Å; L532-Y539 HydrophobicContact CD2-CE1 3.54Å; L532-Y539 HydrophobicContact CD2-CE2 3.79Å; L532-Y539 HydrophobicContact CD2-CG 3.36Å; L532-Y539 HydrophobicContact CG-CD1 4.11Å; L532-Y539 HydrophobicContact CG-CD2 3.87Å; L532-Y539 HydrophobicContact CG-CE1 3.8Å; L532-Y539 HydrophobicContact CG-CE2 3.58Å; L532-Y539 HydrophobicContact CG-CG 4.13Å
533L88Confident89.7Confident125 Ų125102.4 Ų102.465%0.65451%0.505SS*.THydrogen-bonded Turntrans-62.5-20.7178.8-75.4163.4000113.7T529 S531 T536T529-L533 HydrophobicContact CG2-CD1 4.48Å; T529-L533 WeakPolarHBondContact O-CG 3.38Å; T529-L533 PolarHBondContact O-N 3.48Å; S531-L533 VanDerWaalsContact C-N 3.31Å; S531-L533 PolarHBondContact O-N 2.93Å; L533-T536 WeakPolarHBondContact O-CG2 3.35Å
534R85.6Confident90Very high204 Ų204102.8 Ų102.877%0.7751%0.509SS*.THydrogen-bonded Turntrans-82-19175.6-65.8178175.9177-1.9113.1S531 L532S531-R534 WeakPolarHBondContact O-CB 3.39Å; S531-R534 PolarHBondContact O-N 3.3Å; L532-R534 PolarHBondContact O-N 3.3Å
535C84Confident90.2Very high67 Ų67102 Ų10245%0.45351%0.509SS..  trans-126.842-172.6-69.60000112.1L532 G537 R538 Y539L532-C535 CarbonylContact O-C 3.49Å; L532-C535 PolarHBondContact O-N 2.85Å; C535-G537 VanDerWaalsContact C-N 3.27Å; C535-G537 PolarHBondContact O-N 3.48Å; C535-G537 VanDerWaalsContact O-N 3.14Å; C535-R538 PolarHBondContact O-N 2.92Å; C535-R538 VanDerWaalsContact O-N 3.16Å; C535-Y539 HydrophobicContact CB-CD2 4.37Å; C535-Y539 HydrophobicContact CB-CE2 4.21Å; C535-Y539 WeakPolarHBondContact O-CD2 3.43Å
536T86Confident90.3Very high89 Ų8999.8 Ų99.855%0.54651%0.507SS..Hα-helixtrans-52.8-39.1-172.453.30000113.9L533 R538 Y539 M540L533-T536 WeakPolarHBondContact O-CG2 3.35Å; T536-R538 PolarHBondContact O-N 3.44Å; T536-Y539 PolarHBondContact O-N 3.49Å; T536-M540 PolarHBondContact O-N 3.37Å
537G88.7Confident90.5Very high47 Ų4798.8 Ų98.849%0.48550%0.502SS..Hα-helixtrans-60.2-42.6-179.600000113.9C535 Y539 M540 V541C535-G537 VanDerWaalsContact C-N 3.27Å; C535-G537 PolarHBondContact O-N 3.48Å; C535-G537 VanDerWaalsContact O-N 3.14Å; G537-Y539 PolarHBondContact O-N 2.94Å; G537-M540 PolarHBondContact O-N 3.48Å; G537-V541 PolarHBondContact O-N 3.04Å
538R88.3Confident90.8Very high192 Ų19297.8 Ų97.873%0.72550%0.504SS*.Hα-helixtrans-65-41.3178.6179177.3169131.2-1.7111.3C535 T536 V541 V542C535-R538 PolarHBondContact O-N 2.92Å; C535-R538 VanDerWaalsContact O-N 3.16Å; T536-R538 PolarHBondContact O-N 3.44Å; R538-V541 WeakPolarHBondContact O-CB 3.39Å; R538-V541 PolarHBondContact O-N 3.05Å; R538-V542 PolarHBondContact O-N 3.47Å
539Y88.6Confident91.2Very high96 Ų9697.3 Ų97.338%0.37651%0.505SS..Hα-helixtrans-75-27.2-179.4-69.6-76.7000112.8L532 C535 T536 G537 V541 V542 Y543L532-Y539 HydrophobicContact CB-CD2 4.38Å; L532-Y539 HydrophobicContact CB-CE2 4.21Å; L532-Y539 HydrophobicContact CD1-CE1 4.42Å; L532-Y539 HydrophobicContact CD2-CD1 3.35Å; L532-Y539 HydrophobicContact CD2-CD2 3.58Å; L532-Y539 HydrophobicContact CD2-CE1 3.54Å; L532-Y539 HydrophobicContact CD2-CE2 3.79Å; L532-Y539 HydrophobicContact CD2-CG 3.36Å; L532-Y539 HydrophobicContact CG-CD1 4.11Å; L532-Y539 HydrophobicContact CG-CD2 3.87Å; L532-Y539 HydrophobicContact CG-CE1 3.8Å; L532-Y539 HydrophobicContact CG-CE2 3.58Å; L532-Y539 HydrophobicContact CG-CG 4.13Å; C535-Y539 HydrophobicContact CB-CD2 4.37Å; C535-Y539 HydrophobicContact CB-CE2 4.21Å; C535-Y539 WeakPolarHBondContact O-CD2 3.43Å; T536-Y539 PolarHBondContact O-N 3.49Å; G537-Y539 PolarHBondContact O-N 2.94Å; Y539-V541 VanDerWaalsContact C-N 3.32Å; Y539-V541 PolarHBondContact O-N 3.18Å; Y539-V542 PolarHBondContact O-N 3.29Å; Y539-Y543 PolarHBondContact O-N 3.38Å
540M91.5Very high91.5Very high123 Ų123101 Ų10161%0.60652%0.521SS*.Hα-helixtrans-63-37.1168.1-85.4-65.4-175.500112.5T536 G537 Y543 L544T536-M540 PolarHBondContact O-N 3.37Å; G537-M540 PolarHBondContact O-N 3.48Å; M540-Y543 PolarHBondContact O-N 2.8Å; M540-Y543 HydrophobicContact SD-CD1 4.39Å; M540-L544 WeakPolarHBondContact O-CG 3.36Å; M540-L544 PolarHBondContact O-N 3.4Å
541V94.2Very high91.9Very high85 Ų8595.6 Ų95.652%0.51551%0.51SS..Hα-helixtrans-64.6-42.5172.9176.30000110.9G537 R538 Y539 Y543 L544 L545G537-V541 PolarHBondContact O-N 3.04Å; R538-V541 WeakPolarHBondContact O-CB 3.39Å; R538-V541 PolarHBondContact O-N 3.05Å; Y539-V541 VanDerWaalsContact C-N 3.32Å; Y539-V541 PolarHBondContact O-N 3.18Å; V541-Y543 VanDerWaalsContact C-N 3.33Å; V541-Y543 PolarHBondContact O-N 3.03Å; V541-L544 PolarHBondContact O-N 3.12Å; V541-L545 HydrophobicContact CG1-CD1 4.4Å; V541-L545 WeakPolarHBondContact O-CG 3.48Å; V541-L545 PolarHBondContact O-N 3.15Å
542V93.5Very high92.5Very high64 Ų6496.1 Ų96.139%0.38851%0.51SS..Hα-helixtrans-61.7-42.8175.3176.90000111R538 Y539 L545 I546R538-V542 PolarHBondContact O-N 3.47Å; Y539-V542 PolarHBondContact O-N 3.29Å; V542-L545 WeakPolarHBondContact O-CB 3.32Å; V542-L545 PolarHBondContact O-N 3.22Å; V542-I546 HydrophobicContact CG1-CD1 4.16Å; V542-I546 WeakPolarHBondContact O-CG1 3.12Å; V542-I546 PolarHBondContact O-N 2.82Å
543Y95Very high93Very high143 Ų14398.6 Ų98.656%0.56152%0.523SS*.Hα-helixtrans-59.5-46.6175.2174.8-103000111.9Y539 M540 V541 L545 I546 C547Y539-Y543 PolarHBondContact O-N 3.38Å; M540-Y543 PolarHBondContact O-N 2.8Å; M540-Y543 HydrophobicContact SD-CD1 4.39Å; V541-Y543 VanDerWaalsContact C-N 3.33Å; V541-Y543 PolarHBondContact O-N 3.03Å; Y543-L545 VanDerWaalsContact C-N 3.29Å; Y543-L545 PolarHBondContact O-N 2.82Å; Y543-I546 PolarHBondContact O-N 3.39Å; Y543-I546 VanDerWaalsContact O-N 3.11Å; Y543-C547 VanDerWaalsContact CZ-SG 3.54Å; Y543-C547 PolarHBondContact O-N 3.49Å; Y543-C547 PolarHBondContact O-SG 3.41Å
544L96.2Very high93.3Very high114 Ų114100.6 Ų100.660%0.59753%0.527SS*.Hα-helixtrans-59.7-38.6175.4-78.7169.5000112.4M540 V541 C547 A548M540-L544 WeakPolarHBondContact O-CG 3.36Å; M540-L544 PolarHBondContact O-N 3.4Å; V541-L544 PolarHBondContact O-N 3.12Å; L544-C547 PolarHBondContact O-N 3.38Å; L544-A548 WeakPolarHBondContact O-CB 3.31Å; L544-A548 PolarHBondContact O-N 2.77Å
545L96.7Very high93.7Very high117 Ų11798 Ų9861%0.61353%0.527SS*.Hα-helixtrans-65.7-38.3175.2-73172.3000112.3V541 V542 Y543 A548 G549V541-L545 HydrophobicContact CG1-CD1 4.4Å; V541-L545 WeakPolarHBondContact O-CG 3.48Å; V541-L545 PolarHBondContact O-N 3.15Å; V542-L545 WeakPolarHBondContact O-CB 3.32Å; V542-L545 PolarHBondContact O-N 3.22Å; Y543-L545 VanDerWaalsContact C-N 3.29Å; Y543-L545 PolarHBondContact O-N 2.82Å; L545-A548 PolarHBondContact O-N 3.31Å; L545-G549 PolarHBondContact O-N 3.31Å
546I97Very high94.2Very high112 Ų112104.6 Ų104.657%0.57454%0.543SS*.Hα-helixtrans-65.3-44.7174.7-66.6168.4000110.3V542 Y543 A548 G549 M550V542-I546 HydrophobicContact CG1-CD1 4.16Å; V542-I546 WeakPolarHBondContact O-CG1 3.12Å; V542-I546 PolarHBondContact O-N 2.82Å; Y543-I546 PolarHBondContact O-N 3.39Å; Y543-I546 VanDerWaalsContact O-N 3.11Å; I546-A548 VanDerWaalsContact C-N 3.34Å; I546-A548 PolarHBondContact O-N 2.83Å; I546-G549 PolarHBondContact O-N 2.9Å; I546-M550 WeakPolarHBondContact O-CB 3.35Å; I546-M550 PolarHBondContact O-N 3.09Å
547C97.4Very high94.5Very high40 Ų40104.7 Ų104.727%0.2754%0.543SS..Hα-helixtrans-60.6-42.3175.3-68.20000112.1Y543 L544 M550 A551Y543-C547 VanDerWaalsContact CZ-SG 3.54Å; Y543-C547 PolarHBondContact O-N 3.49Å; Y543-C547 PolarHBondContact O-SG 3.41Å; L544-C547 PolarHBondContact O-N 3.38Å; C547-M550 PolarHBondContact O-N 3.01Å; C547-A551 PolarHBondContact O-N 3.42Å
548A96.5Very high94.4Very high51 Ų51108.1 Ų108.142%0.42156%0.557SS.*Hα-helixtrans-64.2-43.6175.500000111.6L544 L545 I546 M550 A551 V552L544-A548 WeakPolarHBondContact O-CB 3.31Å; L544-A548 PolarHBondContact O-N 2.77Å; L545-A548 PolarHBondContact O-N 3.31Å; I546-A548 VanDerWaalsContact C-N 3.34Å; I546-A548 PolarHBondContact O-N 2.83Å; A548-M550 PolarHBondContact O-N 3.34Å; A548-A551 PolarHBondContact O-N 3Å; A548-V552 WeakPolarHBondContact O-CG2 3.48Å; A548-V552 PolarHBondContact O-N 3.34Å
549G97.2Very high94.4Very high32 Ų32105.9 Ų105.933%0.3357%0.565SS.*Hα-helixtrans-60.5-43.5175.100000112.5L545 I546 V552 L553L545-G549 PolarHBondContact O-N 3.31Å; I546-G549 PolarHBondContact O-N 2.9Å; G549-V552 PolarHBondContact O-N 3Å; G549-L553 WeakPolarHBondContact O-CG 3.33Å; G549-L553 PolarHBondContact O-N 3.06Å
550M97.2Very high94.1Very high127 Ų127106 Ų10663%0.62658%0.58SS**Hα-helixtrans-59.4-46.3174.2-179-163.174.600111.4I546 C547 A548 V552 L553 F554I546-M550 WeakPolarHBondContact O-CB 3.35Å; I546-M550 PolarHBondContact O-N 3.09Å; C547-M550 PolarHBondContact O-N 3.01Å; A548-M550 PolarHBondContact O-N 3.34Å; M550-V552 VanDerWaalsContact C-N 3.34Å; M550-V552 PolarHBondContact O-N 2.89Å; M550-L553 PolarHBondContact O-N 3.32Å; M550-F554 WeakPolarHBondContact O-CB 3.38Å; M550-F554 PolarHBondContact O-N 3.42Å
551A96.6Very high93.6Very high45 Ų45104.9 Ų104.937%0.37257%0.572SS.*Hα-helixtrans-61.4-42.1178.400000112.1C547 A548 F554 L555C547-A551 PolarHBondContact O-N 3.42Å; A548-A551 PolarHBondContact O-N 3Å; A551-F554 PolarHBondContact O-N 2.8Å; A551-L555 VanDerWaalsContact O-CG 3.31Å; A551-L555 WeakPolarHBondContact O-CG 3.31Å; A551-L555 PolarHBondContact O-N 2.98Å; A551-L555 VanDerWaalsContact O-N 3.1Å
552V97.3Very high92.9Very high79 Ų79102.6 Ų102.648%0.47956%0.556SS.*Hα-helixtrans-64.7-42.9177172.30000111.6A548 G549 M550 R556A548-V552 WeakPolarHBondContact O-CG2 3.48Å; A548-V552 PolarHBondContact O-N 3.34Å; G549-V552 PolarHBondContact O-N 3Å; M550-V552 VanDerWaalsContact C-N 3.34Å; M550-V552 PolarHBondContact O-N 2.89Å; V552-R556 WeakPolarHBondContact O-CG 3.23Å; V552-R556 PolarHBondContact O-N 3.03Å
553L96.7Very high92.4Very high119 Ų119103.6 Ų103.662%0.62356%0.564SS**Hα-helixtrans-65.4-45.5177-72.7173.1000111.1G549 M550 L555 R556 T557G549-L553 WeakPolarHBondContact O-CG 3.33Å; G549-L553 PolarHBondContact O-N 3.06Å; M550-L553 PolarHBondContact O-N 3.32Å; L553-L555 VanDerWaalsContact C-N 3.3Å; L553-L555 PolarHBondContact O-N 2.81Å; L553-R556 PolarHBondContact O-N 2.89Å; L553-T557 PolarHBondContact O-N 2.91Å; L553-T557 PolarHBondContact O-OG1 3.33Å
554F95.4Very high91.8Very high166 Ų166101.8 Ų101.873%0.72856%0.561SS**Hα-helixtrans-58-41.3179.3-171-93.9000112.4M550 A551 R556M550-F554 WeakPolarHBondContact O-CB 3.38Å; M550-F554 PolarHBondContact O-N 3.42Å; A551-F554 PolarHBondContact O-N 2.8Å; F554-R556 VanDerWaalsContact C-N 3.28Å; F554-R556 PolarHBondContact O-N 3.15Å
555L94.3Very high91.4Very high150 Ų15098.2 Ų98.279%0.78554%0.541SS*.Hα-helixtrans-72.4-17.7177.2-68.7170.6000114A551 L553A551-L555 VanDerWaalsContact O-CG 3.31Å; A551-L555 WeakPolarHBondContact O-CG 3.31Å; A551-L555 PolarHBondContact O-N 2.98Å; A551-L555 VanDerWaalsContact O-N 3.1Å; L553-L555 VanDerWaalsContact C-N 3.3Å; L553-L555 PolarHBondContact O-N 2.81Å
556R93.6Very high91.1Very high205 Ų20594.2 Ų94.277%0.77452%0.52SS*.Hα-helixtrans-98.8-16.3179-76.6-171.5175.5-167.7-0.6113.7V552 L553 F554 P558V552-R556 WeakPolarHBondContact O-CG 3.23Å; V552-R556 PolarHBondContact O-N 3.03Å; L553-R556 PolarHBondContact O-N 2.89Å; F554-R556 VanDerWaalsContact C-N 3.28Å; F554-R556 PolarHBondContact O-N 3.15Å; R556-P558 WeakPolarHBondContact O-CD 3.43Å
557T92.4Very high90.7Very high91 Ų9189.1 Ų89.156%0.55849%0.494SS*.SBendtrans-70.1124.5179.8-58.10000109.8L553L553-T557 PolarHBondContact O-N 2.91Å; L553-T557 PolarHBondContact O-OG1 3.33Å
558P87.7Confident90.5Very high120 Ų12087.6 Ų87.678%0.77949%0.485SS*.PPolyproline II helixtrans-61.5139.6175.3-20.932.4000111.3R556R556-P558 WeakPolarHBondContact O-CD 3.43Å
559T87.1Confident90.3Very high145 Ų14585.3 Ų85.389%0.8947%0.466SS*.PPolyproline II helixtrans-84.2134.8173.855.10000110
560S82.3Confident90.1Very high99 Ų9983.8 Ų83.869%0.69245%0.45SS*.  trans-138.1152.3166.5-1770000108.9L562S560-L562 PolarHBondContact OG-O 3.4Å
561F80.5Confident89.9Confident98 Ų9878 Ų7843%0.4342%0.422SS..SBendtrans-83-55.2176.8-175.2-119.6000111.3T463 I466 L672T463-F561 HydrophobicContact CG2-CE2 4.08Å; T463-F561 WeakPolarHBondContact OG1-CE2 3.24Å; I466-F561 HydrophobicContact CD1-CE1 4.01Å; I466-F561 HydrophobicContact CD1-CE2 4.1Å; I466-F561 HydrophobicContact CD1-CZ 3.45Å; I466-F561 VanDerWaalsContact CD1-CZ 3.45Å; F561-L672 HydrophobicContact CD1-CD1 4.4Å; F561-L672 HydrophobicContact CE1-CD1 3.7Å
562L80.3Confident89.8Confident37 Ų3775.9 Ų75.919%0.19440%0.404CS..SBendtrans-138.2146.2176.7-71.5171.3000109.6I466 S560 A668 V669I466-L562 HydrophobicContact CD1-CD2 4.43Å; S560-L562 PolarHBondContact OG-O 3.4Å; L562-A668 HydrophobicContact CB-CB 4.07Å; L562-A668 HydrophobicContact CD1-CB 4.22Å; L562-V669 HydrophobicContact CD1-CB 4.32Å; L562-V669 HydrophobicContact CD1-CG2 3.42Å; L562-V669 VanDerWaalsContact CD1-CG2 3.42Å
563P84.1Confident89.6Confident85 Ų8573.7 Ų73.755%0.55239%0.391SS*.  trans-68.1150.1174.330.3-34.2000110.6
564E82.1Confident89.4Confident105 Ų10568 Ų6849%0.49136%0.362SS..  trans-73.4139.9168.4-62.7-169.1156.800109.9S676E564-S676 VanDerWaalsContact OE1-CB 3.3Å; E564-S676 WeakPolarHBondContact OE1-CB 3.23Å; E564-S676 PolarHBondContact OE1-OG 3.16Å
565E87Confident89.2Confident39 Ų3962.8 Ų62.818%0.18234%0.339CS..  trans-122.4149.2-176.8-65.7-175.5156.500111.2F332 Q567 N665F332-E565 WeakPolarHBondContact CE1-OE2 3.31Å; F332-E565 HydrophobicContact CZ-CB 4.11Å; F332-E565 WeakPolarHBondContact CZ-OE2 3.46Å; E565-Q567 HydrophobicContact CB-CG 4.37Å; E565-Q567 PolarHBondContact O-N 3.01Å; E565-N665 PolarHBondContact O-ND2 2.94Å
566D91.1Very high89.1Confident33 Ų3356 Ų5618%0.17630%0.304CS..  trans-81.992.9168-176.3-34.1000108.7F332 G568 W632 R635 S641 V642F332-D566 WeakPolarHBondContact CE2-O 3.43Å; D566-G568 PolarHBondContact O-N 3.41Å; D566-G568 PolarHBondContact OD1-N 2.95Å; D566-W632 WeakPolarHBondContact O-CZ2 3.45Å; D566-W632 PolarHBondContact O-NE1 3.38Å; D566-W632 PolarHBondContact OD1-NE1 3.33Å; D566-R635 IonicContact OD1-CZ 2.92Å; D566-R635 IonicContact OD1-NH1 2.82Å; D566-R635 IonicContact OD1-NH2 3.91Å; D566-R635 PolarHBondContact OD1-NH2 3.28Å; D566-R635 IonicContact OD2-CZ 2.78Å; D566-R635 IonicContact OD2-NH1 3.88Å; D566-R635 PolarHBondContact OD2-NH1 3.27Å; D566-R635 IonicContact OD2-NH2 3.87Å; D566-R635 PolarHBondContact OD2-NH2 3.27Å; D566-S641 WeakPolarHBondContact OD2-CA 3.24Å; D566-V642 HydrophobicContact CB-CB 4.37Å; D566-V642 HydrophobicContact CB-CG2 4.17Å; D566-V642 WeakPolarHBondContact OD1-CG2 3.49Å; D566-V642 PolarHBondContact OD2-N 2.98Å
567Q88.9Confident88.9Confident5 Ų550.3 Ų50.32%0.02329%0.294CS..  trans-82.26.8179-62.8-174.713.600113.6F332 E565 V569 P667 A668F332-Q567 HydrophobicContact CD1-CG 4.13Å; F332-Q567 HydrophobicContact CD2-CB 4.38Å; F332-Q567 HydrophobicContact CD2-CG 4.42Å; F332-Q567 HydrophobicContact CE1-CG 4.24Å; F332-Q567 HydrophobicContact CE2-CG 4.46Å; F332-Q567 HydrophobicContact CG-CB 4.24Å; F332-Q567 HydrophobicContact CG-CG 4.22Å; F332-Q567 HydrophobicContact CZ-CG 4.37Å; E565-Q567 HydrophobicContact CB-CG 4.37Å; E565-Q567 PolarHBondContact O-N 3.01Å; Q567-V569 HydrophobicContact CB-CG2 4.38Å; Q567-V569 PolarHBondContact O-N 2.64Å; Q567-V569 VanDerWaalsContact O-N 3.17Å; Q567-P667 PolarHBondContact NE2-O 2.86Å; Q567-P667 VanDerWaalsContact NE2-O 3.09Å; Q567-A668 PolarHBondContact NE2-O 3.05Å
568G91.5Very high88.5Confident8 Ų847.9 Ų47.98%0.08228%0.28CS..SBendtrans72.30.1-178.700000114.9D566 L629D566-G568 PolarHBondContact O-N 3.41Å; D566-G568 PolarHBondContact OD1-N 2.95Å; G568-L629 VanDerWaalsContact O-CB 3.28Å; G568-L629 WeakPolarHBondContact O-CB 3.31Å; G568-L629 PolarHBondContact O-N 3.09Å
569V92.7Very high88.4Confident3 Ų345 Ų452%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-137.3150.9175.6-72.30000109.2Y327 Q567 I627 L666Y327-V569 HydrophobicContact CD2-CB 3.95Å; Y327-V569 HydrophobicContact CD2-CG1 4.06Å; Y327-V569 HydrophobicContact CD2-CG2 4.28Å; Y327-V569 HydrophobicContact CE2-CB 3.78Å; Y327-V569 HydrophobicContact CE2-CG1 4.31Å; Y327-V569 HydrophobicContact CE2-CG2 3.69Å; Q567-V569 HydrophobicContact CB-CG2 4.38Å; Q567-V569 PolarHBondContact O-N 2.64Å; Q567-V569 VanDerWaalsContact O-N 3.17Å; V569-I627 WeakPolarHBondContact CA-O 3.22Å; V569-L666 HydrophobicContact CB-CD1 4.36Å; V569-L666 HydrophobicContact CG2-CD1 3.53Å
570F93.4Very high88.6Confident0 Ų039 Ų390%024%0.238CC..EExtended strand (participates in β ladder)trans-152.8173.6168.672.6-81.9000109.5Y596 I627 L629 V642 I645 I646 P663F570-Y596 HydrophobicContact CE2-CE1 4.07Å; F570-Y596 AromaticContact CE2-CZ 3.82Å; F570-Y596 WeakPolarHBondContact CE2-OH 3.14Å; F570-Y596 HydrophobicContact CZ-CD1 4.3Å; F570-Y596 AromaticContact CZ-CE1 3.65Å; F570-Y596 HydrophobicContact CZ-CE1 3.65Å; F570-Y596 AromaticContact CZ-CZ 3.84Å; F570-I627 HydrophobicContact CD1-CB 3.94Å; F570-I627 HydrophobicContact CD1-CG2 4.04Å; F570-I627 HydrophobicContact CD2-CB 4.42Å; F570-I627 HydrophobicContact CD2-CD1 4.29Å; F570-I627 HydrophobicContact CE1-CB 3.56Å; F570-I627 HydrophobicContact CE1-CG1 4.25Å; F570-I627 HydrophobicContact CE1-CG2 3.28Å; F570-I627 HydrophobicContact CE2-CB 4.09Å; F570-I627 HydrophobicContact CE2-CD1 3.96Å; F570-I627 HydrophobicContact CE2-CG1 3.97Å; F570-I627 HydrophobicContact CE2-CG2 4.46Å; F570-I627 HydrophobicContact CG-CB 4.35Å; F570-I627 HydrophobicContact CZ-CB 3.65Å; F570-I627 HydrophobicContact CZ-CD1 4.31Å; F570-I627 HydrophobicContact CZ-CG1 3.79Å; F570-I627 HydrophobicContact CZ-CG2 3.54Å; F570-I627 PolarHBondContact N-O 3.23Å; F570-I627 PolarHBondContact O-N 2.91Å; F570-L629 HydrophobicContact CD1-CD1 4.34Å; F570-L629 HydrophobicContact CD1-CD2 4.33Å; F570-L629 HydrophobicContact CD1-CG 4.25Å; F570-L629 HydrophobicContact CE1-CD2 3.8Å; F570-L629 HydrophobicContact CE1-CG 4.22Å; F570-V642 HydrophobicContact CB-CG1 3.98Å; F570-V642 HydrophobicContact CG-CG1 4.44Å; F570-I645 HydrophobicContact CE1-CG2 4.15Å; F570-I645 HydrophobicContact CZ-CG2 4.06Å; F570-I646 HydrophobicContact CB-CD1 4.1Å; F570-I646 HydrophobicContact CD2-CD1 4.19Å; F570-I646 HydrophobicContact CD2-CG1 3.8Å; F570-I646 HydrophobicContact CE2-CG1 4.18Å; F570-I646 HydrophobicContact CG-CD1 4.26Å; F570-I646 HydrophobicContact CG-CG1 4.18Å; F570-P663 HydrophobicContact CE2-CB 4.24Å
571M93.5Very high89Confident5 Ų537.3 Ų37.33%0.02522%0.223CC..EExtended strand (participates in β ladder)trans-125.1158.1-177.2-63.9-177.3-159.200111.7Y327 F615 L624 A625 F626 P663 F664 L666Y327-M571 HydrophobicContact CD2-CE 4.14Å; Y327-M571 HydrophobicContact CE1-CE 4.19Å; Y327-M571 HydrophobicContact CE2-CE 3.36Å; Y327-M571 WeakPolarHBondContact OH-CE 3.32Å; M571-F615 HydrophobicContact CE-CZ 4.27Å; M571-F615 HydrophobicContact SD-CE2 3.46Å; M571-F615 WeakPolarHBondContact SD-CE2 3.48Å; M571-F615 HydrophobicContact SD-CZ 3.55Å; M571-F615 VanDerWaalsContact SD-CZ 3.55Å; M571-L624 HydrophobicContact CB-CD1 4.25Å; M571-L624 HydrophobicContact SD-CD1 4.44Å; M571-L624 HydrophobicContact SD-CD2 4.45Å; M571-A625 CarbonylContact C-O 3.5Å; M571-A625 VanDerWaalsContact CA-O 3.26Å; M571-A625 WeakPolarHBondContact CA-O 3.37Å; M571-F626 HydrophobicContact CE-CD1 3.75Å; M571-F626 HydrophobicContact CE-CE1 3.61Å; M571-F626 HydrophobicContact CG-CD1 4.11Å; M571-F626 HydrophobicContact SD-CD1 3.96Å; M571-F626 HydrophobicContact SD-CE1 3.79Å; M571-P663 WeakPolarHBondContact O-CA 3.32Å; M571-F664 HydrophobicContact CB-CE1 3.76Å; M571-F664 HydrophobicContact CB-CE2 4.08Å; M571-F664 HydrophobicContact CB-CZ 3.54Å; M571-F664 HydrophobicContact CG-CZ 4.5Å; M571-F664 PolarHBondContact N-O 3.44Å; M571-F664 PolarHBondContact O-N 3.08Å; M571-F664 HydrophobicContact SD-CZ 4.36Å; M571-L666 HydrophobicContact CE-CD2 4Å
572T94.5Very high89.6Confident1 Ų133.7 Ų33.71%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-132121172.5-60.70000109.1V592 Y596 A625 I627 L653 V661 F662 P663T572-V592 HydrophobicContact CG2-CG1 4.04Å; T572-Y596 PolarHBondContact OG1-OH 3.33Å; T572-A625 PolarHBondContact N-O 3.47Å; T572-A625 PolarHBondContact O-N 3.4Å; T572-I627 WeakPolarHBondContact OG1-CD1 3.32Å; T572-L653 HydrophobicContact CG2-CD1 4.28Å; T572-V661 HydrophobicContact CG2-CG1 3.51Å; T572-F662 WeakPolarHBondContact CA-O 3.45Å; T572-P663 HydrophobicContact CG2-CG 4.12Å
573T92.8Very high90.3Very high33 Ų3336.2 Ų36.220%0.20223%0.225CC..EExtended strand (participates in β ladder)trans-83.5147.216978.80000109.5L624 V661 F662 F664T573-L624 HydrophobicContact CG2-CD1 4.33Å; T573-V661 CarbonylContact O-C 3.53Å; T573-V661 WeakPolarHBondContact O-CA 3.44Å; T573-F662 PolarHBondContact N-O 2.69Å; T573-F662 PolarHBondContact O-N 3.23Å; T573-F664 HydrophobicContact CG2-CD1 4.06Å; T573-F664 HydrophobicContact CG2-CE1 3.32Å; T573-F664 HydrophobicContact CG2-CZ 4.09Å
574A92.7Very high90.8Very high1 Ų135.5 Ų35.51%0.00822%0.216CC..EExtended strand (participates in β ladder)trans-130.7110.8167.500000108.3V588 L589 G623 V661A574-V588 HydrophobicContact CB-CG1 4.07Å; A574-L589 HydrophobicContact CB-CD2 3.9Å; A574-G623 PolarHBondContact N-O 3.05Å; A574-G623 PolarHBondContact O-N 3.42Å; A574-V661 HydrophobicContact CB-CG2 4.18Å
575Q91Very high91.4Very high55 Ų5530.5 Ų30.526%0.25719%0.193SC..EExtended strand (participates in β ladder)trans-114.3114179.9-173.9163.362.200109.8N622 A659 V660Q575-N622 PolarHBondContact NE2-OD1 3.12Å; Q575-N622 VanDerWaalsContact NE2-OD1 3.16Å; Q575-A659 CarbonylContact O-C 3.48Å; Q575-A659 WeakPolarHBondContact O-CA 3.38Å; Q575-V660 PolarHBondContact N-O 2.76Å; Q575-V660 PolarHBondContact O-N 3.23Å
576L91.9Very high91.7Very high8 Ų830.2 Ų30.24%0.04219%0.194CC..PPolyproline II helixtrans-87.5157.2176-7774.6000109.9A580 N584 T585 V588 N621 A659L576-A580 HydrophobicContact CB-CB 3.56Å; L576-A580 HydrophobicContact CD2-CB 3.88Å; L576-A580 HydrophobicContact CG-CB 4.38Å; L576-N584 HydrophobicContact CD2-CB 3.7Å; L576-T585 HydrophobicContact CD1-CG2 4.06Å; L576-V588 HydrophobicContact CD1-CB 4.21Å; L576-V588 HydrophobicContact CD1-CG1 4.43Å; L576-V588 HydrophobicContact CD1-CG2 4.15Å; L576-V588 HydrophobicContact CD2-CG2 4.19Å; L576-V588 HydrophobicContact CG-CG2 4.37Å; L576-N621 HydrophobicContact CB-CB 4.06Å; L576-N621 PolarHBondContact N-O 3.16Å; L576-N621 PolarHBondContact O-ND2 3.44Å; L576-A659 HydrophobicContact CD1-CB 3.79Å; L576-A659 HydrophobicContact CG-CB 3.87Å
577P89Confident91.9Very high86 Ų8634.9 Ų34.956%0.55821%0.212SC*.PPolyproline II helixtrans-50.9150.2172.5-27.133.6000112.5G579 A580 K658P577-G579 PolarHBondContact O-N 3.34Å; P577-A580 WeakPolarHBondContact O-CB 3.26Å; P577-A580 PolarHBondContact O-N 2.96Å; P577-K658 WeakPolarHBondContact CD-O 3.27Å
578S84.7Confident92.2Very high39 Ų3935 Ų3527%0.27321%0.213SC..THydrogen-bonded Turntrans-48.5133.9175.3-178.60000112.6A580 D721 T722 P723S578-A580 VanDerWaalsContact C-N 3.32Å; S578-A580 PolarHBondContact O-N 3.37Å; S578-D721 PolarHBondContact OG-O 2.89Å; S578-T722 WeakPolarHBondContact OG-CA 3.1Å; S578-T722 WeakPolarHBondContact OG-CB 3.45Å; S578-T722 VanDerWaalsContact OG-CG2 3.24Å; S578-T722 WeakPolarHBondContact OG-CG2 3.35Å; S578-P723 WeakPolarHBondContact OG-CD 3.46Å
579G85Confident92.5Very high60 Ų6034.8 Ų34.862%0.61921%0.21SC*.THydrogen-bonded Turntrans80.8-1-175.900000115.7P577P577-G579 PolarHBondContact O-N 3.34Å
580A90.9Very high92.6Very high20 Ų2037.5 Ų37.517%0.16522%0.223CC..  trans-64.3139.2172.100000111.6L576 P577 S578 N621L576-A580 HydrophobicContact CB-CB 3.56Å; L576-A580 HydrophobicContact CD2-CB 3.88Å; L576-A580 HydrophobicContact CG-CB 4.38Å; P577-A580 WeakPolarHBondContact O-CB 3.26Å; P577-A580 PolarHBondContact O-N 2.96Å; S578-A580 VanDerWaalsContact C-N 3.32Å; S578-A580 PolarHBondContact O-N 3.37Å; A580-N621 HydrophobicContact CB-CB 4Å
581T92.6Very high92.7Very high62 Ų6242.3 Ų42.338%0.3825%0.245SC..  trans-86.5159.4-177.266.50000112.3V583 N584 T585T581-V583 PolarHBondContact O-N 2.91Å; T581-V583 VanDerWaalsContact O-N 3.07Å; T581-N584 PolarHBondContact O-N 2.85Å; T581-T585 PolarHBondContact O-N 3.34Å; T581-T585 VanDerWaalsContact O-N 3.16Å; T581-T585 PolarHBondContact O-OG1 2.93Å
582M92.9Very high92.8Very high22 Ų2242 Ų4211%0.10824%0.244CC..Hα-helixtrans-53.3-32.7176.2-177.455.874.100113.1S276 V278 N584 T585 T586 G611 G612 Q620S276-M582 WeakPolarHBondContact O-CE 3.49Å; V278-M582 HydrophobicContact CB-CG 4.43Å; V278-M582 HydrophobicContact CB-SD 4.05Å; V278-M582 HydrophobicContact CG2-CE 4.35Å; V278-M582 HydrophobicContact CG2-CG 3.62Å; V278-M582 HydrophobicContact CG2-SD 3.82Å; M582-N584 VanDerWaalsContact C-N 3.34Å; M582-N584 PolarHBondContact O-N 2.9Å; M582-T585 PolarHBondContact O-N 3.42Å; M582-T586 WeakPolarHBondContact O-CB 3.44Å; M582-T586 PolarHBondContact O-N 3.01Å; M582-T586 PolarHBondContact O-OG1 2.82Å; M582-G611 VanDerWaalsContact CE-C 3.48Å; M582-G612 VanDerWaalsContact CE-N 3.27Å; M582-Q620 HydrophobicContact CB-CB 4.43Å; M582-Q620 HydrophobicContact CB-CG 4.37Å; M582-Q620 VanDerWaalsContact N-OE1 3.12Å
583V94Very high92.9Very high90 Ų9042 Ų4255%0.54524%0.244SC..Hα-helixtrans-62.3-40.8177.2177.80000111.6T581 K587T581-V583 PolarHBondContact O-N 2.91Å; T581-V583 VanDerWaalsContact O-N 3.07Å; V583-K587 WeakPolarHBondContact O-CG 3.42Å; V583-K587 PolarHBondContact O-N 3.34Å
584N94.7Very high93.1Very high71 Ų7144 Ų4438%0.3825%0.253SS..Hα-helixtrans-73.4-41.8178.7-70.8-27.4000111L576 T581 M582 T586 K587 V588L576-N584 HydrophobicContact CD2-CB 3.7Å; T581-N584 PolarHBondContact O-N 2.85Å; M582-N584 VanDerWaalsContact C-N 3.34Å; M582-N584 PolarHBondContact O-N 2.9Å; N584-T586 VanDerWaalsContact C-N 3.35Å; N584-T586 PolarHBondContact O-N 3.36Å; N584-K587 WeakPolarHBondContact O-CB 3.45Å; N584-K587 PolarHBondContact O-N 3.27Å; N584-K587 VanDerWaalsContact O-N 3.16Å; N584-V588 PolarHBondContact O-N 2.87Å; N584-V588 VanDerWaalsContact O-N 3.07Å
585T94.5Very high93.2Very high0 Ų045.6 Ų45.60%026%0.259CS..Hα-helixtrans-59.9-45.8176.9-53.40000111.4L576 T581 M582 K587 V588 L589 Q620 N621 N622L576-T585 HydrophobicContact CD1-CG2 4.06Å; T581-T585 PolarHBondContact O-N 3.34Å; T581-T585 VanDerWaalsContact O-N 3.16Å; T581-T585 PolarHBondContact O-OG1 2.93Å; M582-T585 PolarHBondContact O-N 3.42Å; T585-K587 VanDerWaalsContact C-N 3.28Å; T585-K587 PolarHBondContact O-N 3.08Å; T585-V588 PolarHBondContact O-N 2.96Å; T585-V588 VanDerWaalsContact O-N 3.13Å; T585-L589 HydrophobicContact CG2-CD1 4.25Å; T585-L589 WeakPolarHBondContact O-CG 3.3Å; T585-L589 PolarHBondContact O-N 2.85Å; T585-Q620 VanDerWaalsContact CB-O 3.3Å; T585-Q620 WeakPolarHBondContact CB-O 3.4Å; T585-Q620 PolarHBondContact OG1-O 3.33Å; T585-N621 WeakPolarHBondContact OG1-CA 3.38Å; T585-N622 WeakPolarHBondContact CG2-O 3.37Å
586T94Very high93.5Very high33 Ų3343 Ų4320%0.20225%0.247CC..Hα-helixtrans-61.2-36.4176.7-54.80000112V278 M582 N584 L589 Q590V278-T586 HydrophobicContact CG1-CG2 4.48Å; M582-T586 WeakPolarHBondContact O-CB 3.44Å; M582-T586 PolarHBondContact O-N 3.01Å; M582-T586 PolarHBondContact O-OG1 2.82Å; N584-T586 VanDerWaalsContact C-N 3.35Å; N584-T586 PolarHBondContact O-N 3.36Å; T586-L589 PolarHBondContact O-N 3.18Å; T586-Q590 WeakPolarHBondContact O-CB 3.22Å; T586-Q590 PolarHBondContact O-N 3.35Å
587K95.3Very high93.7Very high130 Ų13045.3 Ų45.357%0.56526%0.259SS*.Hα-helixtrans-65.8-40.8174.8-75.2173.7-177.9175.60112.4V583 N584 T585 Q590 Q591V583-K587 WeakPolarHBondContact O-CG 3.42Å; V583-K587 PolarHBondContact O-N 3.34Å; N584-K587 WeakPolarHBondContact O-CB 3.45Å; N584-K587 PolarHBondContact O-N 3.27Å; N584-K587 VanDerWaalsContact O-N 3.16Å; T585-K587 VanDerWaalsContact C-N 3.28Å; T585-K587 PolarHBondContact O-N 3.08Å; K587-Q590 PolarHBondContact O-N 3.42Å; K587-Q591 WeakPolarHBondContact O-CG 3.42Å; K587-Q591 PolarHBondContact O-N 3.39Å; K587-Q591 VanDerWaalsContact O-N 3.08Å
588V95.7Very high93.9Very high7 Ų745.3 Ų45.34%0.04226%0.258CS..Hα-helixtrans-66.1-45.9175.9171.60000110.4A574 L576 N584 T585 Q590 Q591 V592 I656 A659 V661A574-V588 HydrophobicContact CB-CG1 4.07Å; L576-V588 HydrophobicContact CD1-CB 4.21Å; L576-V588 HydrophobicContact CD1-CG1 4.43Å; L576-V588 HydrophobicContact CD1-CG2 4.15Å; L576-V588 HydrophobicContact CD2-CG2 4.19Å; L576-V588 HydrophobicContact CG-CG2 4.37Å; N584-V588 PolarHBondContact O-N 2.87Å; N584-V588 VanDerWaalsContact O-N 3.07Å; T585-V588 PolarHBondContact O-N 2.96Å; T585-V588 VanDerWaalsContact O-N 3.13Å; V588-Q590 PolarHBondContact O-N 3.39Å; V588-Q591 WeakPolarHBondContact O-CA 3.29Å; V588-Q591 WeakPolarHBondContact O-CB 3.29Å; V588-Q591 PolarHBondContact O-N 2.86Å; V588-V592 WeakPolarHBondContact O-CG2 3.5Å; V588-V592 PolarHBondContact O-N 2.8Å; V588-I656 HydrophobicContact CG1-CG2 4.21Å; V588-I656 HydrophobicContact CG2-CG2 4.29Å; V588-A659 HydrophobicContact CG1-CB 3.8Å; V588-A659 HydrophobicContact CG2-CB 4.14Å; V588-V661 HydrophobicContact CG1-CG2 3.89Å
589L96Very high94.3Very high4 Ų450.9 Ų50.92%0.02128%0.277CS..Hα-helixtrans-60.4-34175.8-70.8174.5000112.5A574 T585 T586 V592 T593 T609A574-L589 HydrophobicContact CB-CD2 3.9Å; T585-L589 HydrophobicContact CG2-CD1 4.25Å; T585-L589 WeakPolarHBondContact O-CG 3.3Å; T585-L589 PolarHBondContact O-N 2.85Å; T586-L589 PolarHBondContact O-N 3.18Å; L589-V592 PolarHBondContact O-N 3.24Å; L589-T593 WeakPolarHBondContact O-CB 3.07Å; L589-T593 PolarHBondContact O-N 3.29Å; L589-T593 PolarHBondContact O-OG1 3.48Å; L589-T609 HydrophobicContact CB-CG2 4.24Å; L589-T609 HydrophobicContact CD2-CG2 4.45Å
590Q96Very high94.8Very high60 Ų6048.7 Ų48.728%0.2825%0.251SS..Hα-helixtrans-65.6-42.8172.1-171.162.845.600111.6T586 K587 V588 V592 T593 D594T586-Q590 WeakPolarHBondContact O-CB 3.22Å; T586-Q590 PolarHBondContact O-N 3.35Å; K587-Q590 PolarHBondContact O-N 3.42Å; V588-Q590 PolarHBondContact O-N 3.39Å; Q590-V592 VanDerWaalsContact C-N 3.32Å; Q590-V592 PolarHBondContact O-N 2.94Å; Q590-T593 WeakPolarHBondContact O-CB 3.39Å; Q590-T593 PolarHBondContact O-N 3.03Å; Q590-D594 PolarHBondContact NE2-OD1 2.9Å; Q590-D594 WeakPolarHBondContact O-CB 3.29Å; Q590-D594 PolarHBondContact O-N 3.49Å
591Q95.3Very high94.8Very high101 Ų10153.7 Ų53.747%0.47227%0.269SS..Hα-helixtrans-60.9-40.6174.7-69.3175.6-18.800112.3K587 V588 D594 Y595 I656K587-Q591 WeakPolarHBondContact O-CG 3.42Å; K587-Q591 PolarHBondContact O-N 3.39Å; K587-Q591 VanDerWaalsContact O-N 3.08Å; V588-Q591 WeakPolarHBondContact O-CA 3.29Å; V588-Q591 WeakPolarHBondContact O-CB 3.29Å; V588-Q591 PolarHBondContact O-N 2.86Å; Q591-D594 PolarHBondContact O-N 3.46Å; Q591-Y595 WeakPolarHBondContact O-CB 3.38Å; Q591-Y595 PolarHBondContact O-N 3.01Å; Q591-I656 HydrophobicContact CB-CD1 4.27Å
592V95.8Very high94.8Very high0 Ų055.8 Ų55.80%028%0.278CS..Hα-helixtrans-61.4-46.9174.2174.50000110.6T572 V588 L589 Q590 Y595 Y596 A625 L653 I656 V661T572-V592 HydrophobicContact CG2-CG1 4.04Å; V588-V592 WeakPolarHBondContact O-CG2 3.5Å; V588-V592 PolarHBondContact O-N 2.8Å; L589-V592 PolarHBondContact O-N 3.24Å; Q590-V592 VanDerWaalsContact C-N 3.32Å; Q590-V592 PolarHBondContact O-N 2.94Å; V592-Y595 PolarHBondContact O-N 3.4Å; V592-Y596 HydrophobicContact CG1-CD2 3.77Å; V592-Y596 HydrophobicContact CG1-CE2 3.45Å; V592-Y596 VanDerWaalsContact CG1-CE2 3.45Å; V592-Y596 WeakPolarHBondContact O-CD2 3.39Å; V592-Y596 PolarHBondContact O-N 2.91Å; V592-Y596 VanDerWaalsContact O-N 3.15Å; V592-A625 HydrophobicContact CG1-CB 4.49Å; V592-L653 HydrophobicContact CG1-CD1 4.49Å; V592-L653 HydrophobicContact CG2-CD2 4.14Å; V592-I656 HydrophobicContact CG2-CD1 4.43Å; V592-V661 HydrophobicContact CG2-CG1 3.77Å; V592-V661 HydrophobicContact CG2-CG2 4.49Å
593T96.7Very high94.9Very high0 Ų055 Ų550%027%0.274CS..Hα-helixtrans-60-47176.7-59.70000111.5L589 Q590 Y595 Y596 L597 V607 T609L589-T593 WeakPolarHBondContact O-CB 3.07Å; L589-T593 PolarHBondContact O-N 3.29Å; L589-T593 PolarHBondContact O-OG1 3.48Å; Q590-T593 WeakPolarHBondContact O-CB 3.39Å; Q590-T593 PolarHBondContact O-N 3.03Å; T593-Y595 VanDerWaalsContact C-N 3.34Å; T593-Y595 PolarHBondContact O-N 2.84Å; T593-Y596 PolarHBondContact O-N 3.39Å; T593-L597 HydrophobicContact CG2-CD1 3.62Å; T593-L597 HydrophobicContact CG2-CG 4.2Å; T593-L597 WeakPolarHBondContact O-CB 3.32Å; T593-L597 WeakPolarHBondContact O-CG 3.34Å; T593-L597 PolarHBondContact O-N 3.25Å; T593-V607 HydrophobicContact CG2-CB 4.25Å; T593-V607 HydrophobicContact CG2-CG1 4.37Å; T593-T609 VanDerWaalsContact OG1-CG2 3.23Å; T593-T609 WeakPolarHBondContact OG1-CG2 3.41Å
594D96.1Very high95Very high74 Ų7451 Ų5140%0.39625%0.25SS..Hα-helixtrans-63.6-40.6-179.4-67-16.9000111.1Q590 Q591 T598Q590-D594 PolarHBondContact NE2-OD1 2.9Å; Q590-D594 WeakPolarHBondContact O-CB 3.29Å; Q590-D594 PolarHBondContact O-N 3.49Å; Q591-D594 PolarHBondContact O-N 3.46Å; D594-T598 VanDerWaalsContact O-CB 3.27Å; D594-T598 WeakPolarHBondContact O-CB 3.37Å; D594-T598 VanDerWaalsContact O-CG2 3.28Å; D594-T598 WeakPolarHBondContact O-CG2 3.37Å; D594-T598 PolarHBondContact O-N 3.32Å; D594-T598 PolarHBondContact O-OG1 3.47Å
595Y96Very high95Very high35 Ų3552.9 Ų52.914%0.13726%0.256CS..Hα-helixtrans-57.9-54.2174.7169.7-101.3000111.2Q591 V592 T593 L597 T598 K599 E600 R648 A649 A652 L653Q591-Y595 WeakPolarHBondContact O-CB 3.38Å; Q591-Y595 PolarHBondContact O-N 3.01Å; V592-Y595 PolarHBondContact O-N 3.4Å; T593-Y595 VanDerWaalsContact C-N 3.34Å; T593-Y595 PolarHBondContact O-N 2.84Å; Y595-L597 PolarHBondContact O-N 2.86Å; Y595-T598 PolarHBondContact O-N 3.16Å; Y595-K599 HydrophobicContact CD2-CB 3.87Å; Y595-K599 HydrophobicContact CD2-CG 3.83Å; Y595-K599 HydrophobicContact CE2-CB 3.77Å; Y595-K599 HydrophobicContact CE2-CG 4.04Å; Y595-K599 WeakPolarHBondContact O-CA 3.49Å; Y595-K599 WeakPolarHBondContact O-CB 3.49Å; Y595-K599 PolarHBondContact O-N 3.13Å; Y595-E600 HydrophobicContact CE1-CG 4.24Å; Y595-R648 PolarHBondContact OH-O 3.03Å; Y595-A649 HydrophobicContact CE1-CB 3.75Å; Y595-A649 WeakPolarHBondContact OH-CA 3.26Å; Y595-A649 PolarHBondContact OH-N 3.36Å; Y595-A652 HydrophobicContact CD2-CB 4Å; Y595-A652 HydrophobicContact CE1-CB 4.45Å; Y595-A652 HydrophobicContact CE2-CB 3.32Å; Y595-L653 HydrophobicContact CD1-CD1 4.45Å; Y595-L653 HydrophobicContact CD1-CD2 4.17Å; Y595-L653 HydrophobicContact CD1-CG 4.33Å; Y595-L653 HydrophobicContact CG-CD2 4.17Å
596Y96.7Very high95Very high0 Ų053 Ų530%026%0.257CS..Hα-helixtrans-65-42.2-177.3-72.9-52.2000112.7F570 T572 V592 T593 T598 E600 K601 V604 V607 I627 A649 L653 P663F570-Y596 HydrophobicContact CE2-CE1 4.07Å; F570-Y596 AromaticContact CE2-CZ 3.82Å; F570-Y596 WeakPolarHBondContact CE2-OH 3.14Å; F570-Y596 HydrophobicContact CZ-CD1 4.3Å; F570-Y596 AromaticContact CZ-CE1 3.65Å; F570-Y596 HydrophobicContact CZ-CE1 3.65Å; F570-Y596 AromaticContact CZ-CZ 3.84Å; T572-Y596 PolarHBondContact OG1-OH 3.33Å; V592-Y596 HydrophobicContact CG1-CD2 3.77Å; V592-Y596 HydrophobicContact CG1-CE2 3.45Å; V592-Y596 VanDerWaalsContact CG1-CE2 3.45Å; V592-Y596 WeakPolarHBondContact O-CD2 3.39Å; V592-Y596 PolarHBondContact O-N 2.91Å; V592-Y596 VanDerWaalsContact O-N 3.15Å; T593-Y596 PolarHBondContact O-N 3.39Å; Y596-T598 VanDerWaalsContact C-N 3.32Å; Y596-T598 PolarHBondContact O-N 3.19Å; Y596-E600 HydrophobicContact CD1-CB 4.49Å; Y596-E600 CarbonylContact O-C 3.49Å; Y596-E600 WeakPolarHBondContact O-CA 3.34Å; Y596-E600 PolarHBondContact O-N 3.24Å; Y596-K601 PolarHBondContact O-N 3.11Å; Y596-V604 HydrophobicContact CD1-CG2 4.17Å; Y596-V604 HydrophobicContact CG-CG2 4.48Å; Y596-V607 HydrophobicContact CD2-CG2 4.38Å; Y596-V607 HydrophobicContact CG-CG2 4.45Å; Y596-I627 HydrophobicContact CD2-CG1 3.89Å; Y596-I627 HydrophobicContact CE2-CD1 4.01Å; Y596-I627 HydrophobicContact CE2-CG1 3.76Å; Y596-I627 HydrophobicContact CG-CG1 4.46Å; Y596-A649 HydrophobicContact CE1-CB 3.72Å; Y596-A649 WeakPolarHBondContact OH-CB 3.31Å; Y596-L653 HydrophobicContact CE2-CD1 4.42Å; Y596-P663 WeakPolarHBondContact OH-CG 3.43Å
597L95.3Very high95.2Very high57 Ų5751.4 Ų51.430%0.29825%0.248SC..Hα-helixtrans-76-16.2-178.6-65.9-177.8000114.1N282 T593 Y595 K601 V604 V607N282-L597 HydrophobicContact CB-CD1 3.87Å; T593-L597 HydrophobicContact CG2-CD1 3.62Å; T593-L597 HydrophobicContact CG2-CG 4.2Å; T593-L597 WeakPolarHBondContact O-CB 3.32Å; T593-L597 WeakPolarHBondContact O-CG 3.34Å; T593-L597 PolarHBondContact O-N 3.25Å; Y595-L597 PolarHBondContact O-N 2.86Å; L597-K601 WeakPolarHBondContact O-CB 3.41Å; L597-V604 HydrophobicContact CD2-CG1 4.38Å; L597-V607 HydrophobicContact CD2-CG2 4.04Å; L597-V607 HydrophobicContact CG-CG2 4.16Å
598T94.2Very high95.3Very high87 Ų8745.2 Ų45.253%0.53422%0.221SC..Hα-helixtrans-110.2-47.7-179.564.40000113.4D594 Y595 Y596D594-T598 VanDerWaalsContact O-CB 3.27Å; D594-T598 WeakPolarHBondContact O-CB 3.37Å; D594-T598 VanDerWaalsContact O-CG2 3.28Å; D594-T598 WeakPolarHBondContact O-CG2 3.37Å; D594-T598 PolarHBondContact O-N 3.32Å; D594-T598 PolarHBondContact O-OG1 3.47Å; Y595-T598 PolarHBondContact O-N 3.16Å; Y596-T598 VanDerWaalsContact C-N 3.32Å; Y596-T598 PolarHBondContact O-N 3.19Å
599K93.6Very high95.4Very high156 Ų15645.1 Ų45.168%0.67822%0.22SC*.Hα-helixtrans-85.9-33.3-176.2-62.2-62.1-174.9178.10112.6Y595Y595-K599 HydrophobicContact CD2-CB 3.87Å; Y595-K599 HydrophobicContact CD2-CG 3.83Å; Y595-K599 HydrophobicContact CE2-CB 3.77Å; Y595-K599 HydrophobicContact CE2-CG 4.04Å; Y595-K599 WeakPolarHBondContact O-CA 3.49Å; Y595-K599 WeakPolarHBondContact O-CB 3.49Å; Y595-K599 PolarHBondContact O-N 3.13Å
600E93.8Very high95.3Very high14 Ų1444.9 Ų44.97%0.06522%0.219CC..SBendtrans-110.923178.7-68.2-69159.900112.2Y595 Y596 D602 N603 V604 I645 R648Y595-E600 HydrophobicContact CE1-CG 4.24Å; Y596-E600 HydrophobicContact CD1-CB 4.49Å; Y596-E600 CarbonylContact O-C 3.49Å; Y596-E600 WeakPolarHBondContact O-CA 3.34Å; Y596-E600 PolarHBondContact O-N 3.24Å; E600-D602 PolarHBondContact O-N 2.98Å; E600-N603 PolarHBondContact O-N 3.07Å; E600-N603 PolarHBondContact OE2-ND2 2.83Å; E600-V604 HydrophobicContact CB-CG2 3.85Å; E600-V604 PolarHBondContact O-N 3.06Å; E600-I645 HydrophobicContact CG-CG2 4.46Å; E600-R648 IonicContact OE1-CZ 3.28Å; E600-R648 IonicContact OE1-NE 3.5Å; E600-R648 PolarHBondContact OE1-NE 3.46Å; E600-R648 IonicContact OE1-NH2 3.73Å; E600-R648 PolarHBondContact OE1-NH2 2.86Å; E600-R648 VanDerWaalsContact OE1-NH2 3.16Å; E600-R648 IonicContact OE2-CZ 2.61Å; E600-R648 IonicContact OE2-NH2 3.77Å; E600-R648 PolarHBondContact OE2-NH2 3.07Å
601K92.4Very high95.3Very high124 Ų12442 Ų4254%0.53921%0.206SC..THydrogen-bonded Turntrans-55.2-25.5-177.474.8178.7-175.81720114.3Y596 L597 N603 K630Y596-K601 PolarHBondContact O-N 3.11Å; L597-K601 WeakPolarHBondContact O-CB 3.41Å; K601-N603 VanDerWaalsContact C-N 3.32Å; K601-K630 WeakPolarHBondContact O-CE 3.38Å; K601-K630 PolarHBondContact O-NZ 2.9Å
602D92.2Very high95.1Very high106 Ų10637.3 Ų37.357%0.56718%0.184SC*.THydrogen-bonded Turntrans-75.2-29.8-178.2-63.3-30.7000110.1E600 K630E600-D602 PolarHBondContact O-N 2.98Å; D602-K630 WeakPolarHBondContact O-CD 3.23Å; D602-K630 WeakPolarHBondContact O-CE 3.14Å; D602-K630 PolarHBondContact O-NZ 3.38Å
603N94.8Very high94.8Very high6 Ų638.3 Ų38.33%0.03219%0.188CC..THydrogen-bonded Turntrans-101.1-40.4-178.8-65.4-43.4000113.6E600 K601 L629 K630 N640 I645E600-N603 PolarHBondContact O-N 3.07Å; E600-N603 PolarHBondContact OE2-ND2 2.83Å; K601-N603 VanDerWaalsContact C-N 3.32Å; N603-L629 HydrophobicContact CB-CD2 4.43Å; N603-L629 CarbonylContact O-C 3.54Å; N603-L629 WeakPolarHBondContact O-CA 3.31Å; N603-K630 PolarHBondContact O-N 3.31Å; N603-N640 PolarHBondContact ND2-OD1 2.78Å; N603-N640 WeakPolarHBondContact OD1-CB 3.47Å; N603-N640 VanDerWaalsContact OD1-CG 3.28Å; N603-N640 PolarHBondContact OD1-OD1 3.17Å; N603-N640 VanDerWaalsContact OD1-OD1 3.08Å; N603-I645 HydrophobicContact CB-CD1 3.69Å; N603-I645 HydrophobicContact CB-CG1 4.43Å
604V95.4Very high94.3Very high7 Ų738.6 Ų38.64%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-83.4129.4-174.1176.30000110.4Y596 L597 E600 V607 I627 L629Y596-V604 HydrophobicContact CD1-CG2 4.17Å; Y596-V604 HydrophobicContact CG-CG2 4.48Å; L597-V604 HydrophobicContact CD2-CG1 4.38Å; E600-V604 HydrophobicContact CB-CG2 3.85Å; E600-V604 PolarHBondContact O-N 3.06Å; V604-V607 HydrophobicContact CG1-CG2 3.85Å; V604-I627 HydrophobicContact CG1-CG2 3.87Å; V604-I627 HydrophobicContact CG2-CG2 3.96Å; V604-L629 HydrophobicContact CG2-CD2 3.9Å
605Q94.7Very high93.5Very high109 Ų10938 Ų3851%0.50919%0.185SC..EExtended strand (participates in β ladder)trans-92-44.1174.7-177.7165.11.900111.8S628 L629 K630Q605-S628 PolarHBondContact N-O 2.9Å; Q605-L629 PolarHBondContact OE1-O 2.74Å; Q605-K630 HydrophobicContact CB-CG 3.89Å
606S95.4Very high92.3Very high3 Ų338.1 Ų38.12%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-156157.4178.969.70000113Y281 N282 S628Y281-S606 VanDerWaalsContact OH-CB 3.24Å; Y281-S606 WeakPolarHBondContact OH-CB 2.94Å; N282-S606 WeakPolarHBondContact OD1-CA 3.45Å; S606-S628 PolarHBondContact N-O 2.95Å; S606-S628 VanDerWaalsContact N-O 3.15Å; S606-S628 PolarHBondContact O-N 3.36Å; S606-S628 WeakPolarHBondContact OG-CB 3.33Å
607V97.4Very high91.3Very high0 Ų039.1 Ų39.10%020%0.201CC..EExtended strand (participates in β ladder)trans-129.9120.4176.7-174.50000108.4N282 T593 Y596 L597 V604 T609 A625 F626N282-V607 PolarHBondContact N-O 3.26Å; N282-V607 PolarHBondContact OD1-N 3.26Å; N282-V607 PolarHBondContact OD1-O 2.94Å; T593-V607 HydrophobicContact CG2-CB 4.25Å; T593-V607 HydrophobicContact CG2-CG1 4.37Å; Y596-V607 HydrophobicContact CD2-CG2 4.38Å; Y596-V607 HydrophobicContact CG-CG2 4.45Å; L597-V607 HydrophobicContact CD2-CG2 4.04Å; L597-V607 HydrophobicContact CG-CG2 4.16Å; V604-V607 HydrophobicContact CG1-CG2 3.85Å; V607-T609 HydrophobicContact CG1-CG2 3.93Å; V607-A625 HydrophobicContact CG1-CB 4.37Å; V607-F626 WeakPolarHBondContact CA-O 3.29Å
608F97.5Very high90.6Very high0 Ų038.9 Ų38.90%020%0.199CC..EExtended strand (participates in β ladder)trans-112.2118.1172.2178.9-104000109.6V139 A141 F178 A279 R280 Y281 A286 P326 V610 A625 F626V139-F608 HydrophobicContact CG1-CD1 4.14Å; V139-F608 HydrophobicContact CG1-CE1 3.9Å; A141-F608 HydrophobicContact CB-CD2 3.76Å; A141-F608 HydrophobicContact CB-CE2 3.63Å; A141-F608 HydrophobicContact CB-CZ 4.34Å; F178-F608 AromaticContact CD2-CE1 3.69Å; F178-F608 HydrophobicContact CD2-CE1 3.69Å; F178-F608 HydrophobicContact CD2-CZ 4.04Å; F178-F608 HydrophobicContact CE2-CE1 4.08Å; A279-F608 HydrophobicContact CB-CE2 4.18Å; A279-F608 HydrophobicContact CB-CZ 3.87Å; R280-F608 CarbonylContact O-C 3.57Å; R280-F608 WeakPolarHBondContact O-CA 3.29Å; R280-F608 WeakPolarHBondContact O-CD2 3.44Å; Y281-F608 HydrophobicContact CD2-CB 4.29Å; Y281-F608 HydrophobicContact CD2-CD2 4.33Å; A286-F608 HydrophobicContact CB-CE2 4.13Å; P326-F608 HydrophobicContact CB-CB 3.35Å; P326-F608 HydrophobicContact CB-CG 4.1Å; P326-F608 HydrophobicContact CG-CB 3.63Å; P326-F608 HydrophobicContact CG-CD1 4.26Å; P326-F608 HydrophobicContact CG-CD2 4.2Å; P326-F608 HydrophobicContact CG-CG 3.79Å; F608-V610 HydrophobicContact CD1-CG2 3.99Å; F608-V610 HydrophobicContact CE1-CG2 3.35Å; F608-V610 HydrophobicContact CZ-CG2 3.99Å; F608-A625 CarbonylContact O-C 3.46Å; F608-A625 WeakPolarHBondContact O-CA 3.43Å; F608-F626 HydrophobicContact CB-CB 4.39Å; F608-F626 AromaticContact CD1-CD2 3.73Å; F608-F626 HydrophobicContact CD1-CD2 3.73Å; F608-F626 HydrophobicContact CD1-CE2 4.32Å; F608-F626 HydrophobicContact CE1-CD2 4.41Å; F608-F626 PolarHBondContact N-O 3.42Å; F608-F626 PolarHBondContact O-N 3.35Å
609T97.1Very high90.1Very high4 Ų435.8 Ų35.83%0.02518%0.184CC..EExtended strand (participates in β ladder)trans-109.6138.3-17761.70000110.8A279 R280 L589 T593 V607 L624 A625A279-T609 CarbonylContact C-O 3.6Å; A279-T609 WeakPolarHBondContact CA-O 3.35Å; R280-T609 PolarHBondContact N-O 3.42Å; R280-T609 PolarHBondContact O-N 3.41Å; R280-T609 PolarHBondContact O-OG1 2.83Å; L589-T609 HydrophobicContact CB-CG2 4.24Å; L589-T609 HydrophobicContact CD2-CG2 4.45Å; T593-T609 VanDerWaalsContact OG1-CG2 3.23Å; T593-T609 WeakPolarHBondContact OG1-CG2 3.41Å; V607-T609 HydrophobicContact CG1-CG2 3.93Å; T609-L624 CarbonylContact C-O 3.58Å; T609-L624 WeakPolarHBondContact CA-O 3.35Å; T609-A625 HydrophobicContact CG2-CB 3.95Å
610V95.7Very high89.9Confident0 Ų033.5 Ų33.50%018%0.175CC..EExtended strand (participates in β ladder)trans-124.5108173.7-170.80000107.8F178 V278 F608 F613 G623 L624 F626F178-V610 HydrophobicContact CB-CG1 4.15Å; F178-V610 HydrophobicContact CB-CG2 4.31Å; F178-V610 HydrophobicContact CD1-CG1 3.84Å; F178-V610 HydrophobicContact CD1-CG2 4.26Å; F178-V610 HydrophobicContact CD2-CG2 3.87Å; F178-V610 HydrophobicContact CE1-CG1 4.44Å; F178-V610 HydrophobicContact CE2-CG2 4.17Å; F178-V610 HydrophobicContact CG-CG1 4.04Å; F178-V610 HydrophobicContact CG-CG2 3.9Å; V278-V610 WeakPolarHBondContact O-CA 3.35Å; F608-V610 HydrophobicContact CD1-CG2 3.99Å; F608-V610 HydrophobicContact CE1-CG2 3.35Å; F608-V610 HydrophobicContact CZ-CG2 3.99Å; V610-F613 HydrophobicContact CG1-CB 3.81Å; V610-G623 CarbonylContact O-C 3.56Å; V610-G623 VanDerWaalsContact O-CA 3.25Å; V610-G623 WeakPolarHBondContact O-CA 3.31Å; V610-L624 PolarHBondContact N-O 3.29Å; V610-L624 PolarHBondContact O-N 3.25Å; V610-F626 HydrophobicContact CG2-CE2 4.27Å
611G94.8Very high89.8Confident0 Ų033.9 Ų33.90%018%0.178CC..EExtended strand (participates in β ladder)trans-82.2145.7166.400000110.1T277 V278 M582T277-G611 CarbonylContact C-O 3.58Å; T277-G611 VanDerWaalsContact CA-O 3.3Å; T277-G611 WeakPolarHBondContact CA-O 3.5Å; V278-G611 PolarHBondContact N-O 3.06Å; V278-G611 PolarHBondContact O-N 2.97Å; M582-G611 VanDerWaalsContact CE-C 3.48Å
612G90.8Very high89.7Confident1 Ų128 Ų281%0.0115%0.153CC..EExtended strand (participates in β ladder)trans96-13.9-176.900000114.4S276 M582 Q618 G619 N622S276-G612 VanDerWaalsContact O-CA 3.31Å; S276-G612 WeakPolarHBondContact O-CA 3.27Å; M582-G612 VanDerWaalsContact CE-N 3.27Å; G612-Q618 WeakPolarHBondContact O-CA 3.3Å; G612-G619 CarbonylContact C-O 3.6Å; G612-G619 VanDerWaalsContact CA-O 3.26Å; G612-G619 WeakPolarHBondContact CA-O 3.38Å; G612-G619 PolarHBondContact O-N 3.33Å; G612-N622 PolarHBondContact N-O 3.26Å
613F89.9Confident89.7Confident21 Ų2123.1 Ų23.19%0.09213%0.127CC..EExtended strand (participates in β ladder)trans-130.5139.1-174.8177.1-101.1000110.8F178 V610 Q618 G623 L624F178-F613 AromaticContact CE1-CD1 3.87Å; F178-F613 HydrophobicContact CE1-CD1 3.87Å; F178-F613 HydrophobicContact CE1-CE1 4.03Å; F178-F613 HydrophobicContact CE1-CG 4.22Å; F178-F613 HydrophobicContact CZ-CD1 4.43Å; F178-F613 HydrophobicContact CZ-CE1 4.32Å; V610-F613 HydrophobicContact CG1-CB 3.81Å; F613-Q618 HydrophobicContact CD2-CG 4.25Å; F613-G623 CarbonylContact O-C 3.57Å; F613-G623 VanDerWaalsContact O-C 3.29Å; F613-G623 WeakPolarHBondContact O-CA 3.35Å; F613-L624 HydrophobicContact CD1-CB 4.46Å; F613-L624 HydrophobicContact CD1-CD2 4.14Å; F613-L624 HydrophobicContact CE1-CD2 3.88Å; F613-L624 PolarHBondContact O-N 3.17Å
614G86.7Confident89.7Confident6 Ų622.8 Ų22.86%0.06213%0.125CC..EExtended strand (participates in β ladder)trans-153.6167.9166.800000109.8S616 G617G614-S616 PolarHBondContact O-N 3.13Å; G614-G617 PolarHBondContact N-O 3.48Å; G614-G617 PolarHBondContact O-N 3.16Å; G614-G617 VanDerWaalsContact O-N 3.08Å
615F78Confident89.7Confident63 Ų6322.5 Ų22.528%0.27612%0.123SC..THydrogen-bonded Turntrans-64.9-22.3176.7-65.4-58000113.3M571 G617 L624 F664 T674M571-F615 HydrophobicContact CE-CZ 4.27Å; M571-F615 HydrophobicContact SD-CE2 3.46Å; M571-F615 WeakPolarHBondContact SD-CE2 3.48Å; M571-F615 HydrophobicContact SD-CZ 3.55Å; M571-F615 VanDerWaalsContact SD-CZ 3.55Å; F615-G617 VanDerWaalsContact C-N 3.26Å; F615-G617 PolarHBondContact O-N 2.85Å; F615-L624 HydrophobicContact CD2-CD1 4.23Å; F615-L624 HydrophobicContact CD2-CD2 4.41Å; F615-L624 HydrophobicContact CE1-CD2 4.45Å; F615-L624 HydrophobicContact CE2-CD1 3.95Å; F615-L624 HydrophobicContact CE2-CD2 3.86Å; F615-L624 HydrophobicContact CZ-CD2 3.88Å; F615-F664 HydrophobicContact CD2-CZ 4.02Å; F615-F664 HydrophobicContact CE2-CE2 4.39Å; F615-F664 AromaticContact CE2-CZ 3.86Å; F615-F664 HydrophobicContact CE2-CZ 3.86Å; F615-T674 HydrophobicContact CD1-CG2 4.03Å; F615-T674 HydrophobicContact CE1-CG2 4.04Å; F615-T674 HydrophobicContact CG-CG2 4.33Å; F615-T674 HydrophobicContact CZ-CG2 4.33Å
616S71.1Confident89.8Confident37 Ų3717.3 Ų17.326%0.25910%0.099SC..THydrogen-bonded Turntrans-78.2-3.2174.254.20000114.3G614 N717G614-S616 PolarHBondContact O-N 3.13Å; S616-N717 WeakPolarHBondContact CB-O 3.37Å
617G75.7Confident89.8Confident21 Ų2117.1 Ų17.122%0.21610%0.098CC..EExtended strand (participates in β ladder)trans125.6175.3-179.300000114.5G614 F615 N622G614-G617 PolarHBondContact N-O 3.48Å; G614-G617 PolarHBondContact O-N 3.16Å; G614-G617 VanDerWaalsContact O-N 3.08Å; F615-G617 VanDerWaalsContact C-N 3.26Å; F615-G617 PolarHBondContact O-N 2.85Å; G617-N622 PolarHBondContact O-ND2 3.07Å; G617-N622 VanDerWaalsContact O-ND2 3.1Å
618Q81.2Confident89.8Confident52 Ų5218 Ų1824%0.24310%0.103CC..EExtended strand (participates in β ladder)trans-90.3137.8178.3-65.3-173.65.900111.5N87 G612 F613N87-Q618 PolarHBondContact ND2-OE1 3.29Å; N87-Q618 VanDerWaalsContact ND2-OE1 3.12Å; G612-Q618 WeakPolarHBondContact O-CA 3.3Å; F613-Q618 HydrophobicContact CD2-CG 4.25Å
619G84.5Confident89.7Confident21 Ų2118.2 Ų18.222%0.21611%0.105CC..EExtended strand (participates in β ladder)trans175.8147.6-178.700000112.4G612 N621 N622G612-G619 CarbonylContact C-O 3.6Å; G612-G619 VanDerWaalsContact CA-O 3.26Å; G612-G619 WeakPolarHBondContact CA-O 3.38Å; G612-G619 PolarHBondContact O-N 3.33Å; G619-N621 PolarHBondContact O-N 3.49Å; G619-N621 VanDerWaalsContact O-N 3.11Å; G619-N622 PolarHBondContact O-N 3.29Å
620Q89.7Confident89.6Confident109 Ų10920.3 Ų20.351%0.50911%0.114SC..EExtended strand (participates in β ladder)trans-60.5-25.1-177.9-71.4-167.536.400113.8M582 T585M582-Q620 HydrophobicContact CB-CB 4.43Å; M582-Q620 HydrophobicContact CB-CG 4.37Å; M582-Q620 VanDerWaalsContact N-OE1 3.12Å; T585-Q620 VanDerWaalsContact CB-O 3.3Å; T585-Q620 WeakPolarHBondContact CB-O 3.4Å; T585-Q620 PolarHBondContact OG1-O 3.33Å
621N89.8Confident89.4Confident21 Ų2123 Ų2311%0.11213%0.131CC..EExtended strand (participates in β ladder)trans-87.6-6.1179.167.8-43.3000113.5L576 A580 T585 G619L576-N621 HydrophobicContact CB-CB 4.06Å; L576-N621 PolarHBondContact N-O 3.16Å; L576-N621 PolarHBondContact O-ND2 3.44Å; A580-N621 HydrophobicContact CB-CB 4Å; T585-N621 WeakPolarHBondContact OG1-CA 3.38Å; G619-N621 PolarHBondContact O-N 3.49Å; G619-N621 VanDerWaalsContact O-N 3.11Å
622N90.7Very high89.2Confident2 Ų226.6 Ų26.61%0.01115%0.145CC..EExtended strand (participates in β ladder)trans-98.9145.3178.5-74.1-21.2000111.3Q575 T585 G612 G617 G619 L719Q575-N622 PolarHBondContact NE2-OD1 3.12Å; Q575-N622 VanDerWaalsContact NE2-OD1 3.16Å; T585-N622 WeakPolarHBondContact CG2-O 3.37Å; G612-N622 PolarHBondContact N-O 3.26Å; G617-N622 PolarHBondContact O-ND2 3.07Å; G617-N622 VanDerWaalsContact O-ND2 3.1Å; G619-N622 PolarHBondContact O-N 3.29Å; N622-L719 VanDerWaalsContact ND2-CD2 3.32Å; N622-L719 WeakPolarHBondContact ND2-CD2 3.43Å; N622-L719 WeakPolarHBondContact OD1-CD2 3.4Å
623G93.3Very high89.1Confident2 Ų231.3 Ų31.32%0.02118%0.177CC..EExtended strand (participates in β ladder)trans-149.4151.1170.700000111.9A574 V610 F613A574-G623 PolarHBondContact N-O 3.05Å; A574-G623 PolarHBondContact O-N 3.42Å; V610-G623 CarbonylContact O-C 3.56Å; V610-G623 VanDerWaalsContact O-CA 3.25Å; V610-G623 WeakPolarHBondContact O-CA 3.31Å; F613-G623 CarbonylContact O-C 3.57Å; F613-G623 VanDerWaalsContact O-C 3.29Å; F613-G623 WeakPolarHBondContact O-CA 3.35Å
624L94.4Very high89.2Confident0 Ų036.2 Ų36.20%020%0.201CC..EExtended strand (participates in β ladder)trans-127.8138.2175.9-174.865.6000109.2M571 T573 T609 V610 F613 F615 F626M571-L624 HydrophobicContact CB-CD1 4.25Å; M571-L624 HydrophobicContact SD-CD1 4.44Å; M571-L624 HydrophobicContact SD-CD2 4.45Å; T573-L624 HydrophobicContact CG2-CD1 4.33Å; T609-L624 CarbonylContact C-O 3.58Å; T609-L624 WeakPolarHBondContact CA-O 3.35Å; V610-L624 PolarHBondContact N-O 3.29Å; V610-L624 PolarHBondContact O-N 3.25Å; F613-L624 HydrophobicContact CD1-CB 4.46Å; F613-L624 HydrophobicContact CD1-CD2 4.14Å; F613-L624 HydrophobicContact CE1-CD2 3.88Å; F613-L624 PolarHBondContact O-N 3.17Å; F615-L624 HydrophobicContact CD2-CD1 4.23Å; F615-L624 HydrophobicContact CD2-CD2 4.41Å; F615-L624 HydrophobicContact CE1-CD2 4.45Å; F615-L624 HydrophobicContact CE2-CD1 3.95Å; F615-L624 HydrophobicContact CE2-CD2 3.86Å; F615-L624 HydrophobicContact CZ-CD2 3.88Å; L624-F626 HydrophobicContact CD2-CE1 4.14Å; L624-F626 HydrophobicContact CD2-CE2 3.7Å; L624-F626 HydrophobicContact CD2-CZ 3.48Å; L624-F626 VanDerWaalsContact CD2-CZ 3.48Å; L624-F626 HydrophobicContact CG-CE2 4.15Å; L624-F626 HydrophobicContact CG-CZ 4.32Å
625A95.9Very high89.5Confident0 Ų036.6 Ų36.60%020%0.2CC..EExtended strand (participates in β ladder)trans-117.2132.3169.300000109.4M571 T572 V592 V607 F608 T609 I627M571-A625 CarbonylContact C-O 3.5Å; M571-A625 VanDerWaalsContact CA-O 3.26Å; M571-A625 WeakPolarHBondContact CA-O 3.37Å; T572-A625 PolarHBondContact N-O 3.47Å; T572-A625 PolarHBondContact O-N 3.4Å; V592-A625 HydrophobicContact CG1-CB 4.49Å; V607-A625 HydrophobicContact CG1-CB 4.37Å; F608-A625 CarbonylContact O-C 3.46Å; F608-A625 WeakPolarHBondContact O-CA 3.43Å; T609-A625 HydrophobicContact CG2-CB 3.95Å; A625-I627 HydrophobicContact CB-CD1 3.9Å; A625-I627 WeakPolarHBondContact O-CD1 3.36Å
626F96.2Very high90Very high0 Ų038.9 Ų38.90%022%0.219CC..EExtended strand (participates in β ladder)trans-97.6121.3168.4-60.8-93.4000107.9I136 V139 F178 Y327 M571 V607 F608 V610 L624I136-F626 HydrophobicContact CD1-CE1 3.87Å; I136-F626 HydrophobicContact CD1-CZ 3.8Å; V139-F626 HydrophobicContact CG2-CD1 4.29Å; V139-F626 HydrophobicContact CG2-CE1 4.06Å; V139-F626 HydrophobicContact CG2-CE2 4.49Å; V139-F626 HydrophobicContact CG2-CZ 4.15Å; F178-F626 HydrophobicContact CE2-CE2 4.24Å; F178-F626 HydrophobicContact CE2-CZ 4.5Å; F178-F626 HydrophobicContact CZ-CE2 4.34Å; F178-F626 HydrophobicContact CZ-CZ 4.36Å; Y327-F626 HydrophobicContact CD1-CD1 4.38Å; Y327-F626 HydrophobicContact CD2-CB 4.32Å; Y327-F626 AromaticContact CD2-CD1 3.69Å; Y327-F626 HydrophobicContact CD2-CD1 3.69Å; Y327-F626 HydrophobicContact CD2-CG 4.48Å; Y327-F626 HydrophobicContact CE2-CD1 4.27Å; Y327-F626 AromaticContact CG-CD1 3.74Å; Y327-F626 HydrophobicContact CG-CD1 3.74Å; Y327-F626 HydrophobicContact CG-CE1 4.43Å; M571-F626 HydrophobicContact CE-CD1 3.75Å; M571-F626 HydrophobicContact CE-CE1 3.61Å; M571-F626 HydrophobicContact CG-CD1 4.11Å; M571-F626 HydrophobicContact SD-CD1 3.96Å; M571-F626 HydrophobicContact SD-CE1 3.79Å; V607-F626 WeakPolarHBondContact CA-O 3.29Å; F608-F626 HydrophobicContact CB-CB 4.39Å; F608-F626 AromaticContact CD1-CD2 3.73Å; F608-F626 HydrophobicContact CD1-CD2 3.73Å; F608-F626 HydrophobicContact CD1-CE2 4.32Å; F608-F626 HydrophobicContact CE1-CD2 4.41Å; F608-F626 PolarHBondContact N-O 3.42Å; F608-F626 PolarHBondContact O-N 3.35Å; V610-F626 HydrophobicContact CG2-CE2 4.27Å; L624-F626 HydrophobicContact CD2-CE1 4.14Å; L624-F626 HydrophobicContact CD2-CE2 3.7Å; L624-F626 HydrophobicContact CD2-CZ 3.48Å; L624-F626 VanDerWaalsContact CD2-CZ 3.48Å; L624-F626 HydrophobicContact CG-CE2 4.15Å; L624-F626 HydrophobicContact CG-CZ 4.32Å
627I96.2Very high90.8Very high0 Ų039.3 Ų39.30%023%0.23CC..EExtended strand (participates in β ladder)trans-111.7115.1-178-58.777.9000107.8V569 F570 T572 Y596 V604 A625 L629V569-I627 WeakPolarHBondContact CA-O 3.22Å; F570-I627 HydrophobicContact CD1-CB 3.94Å; F570-I627 HydrophobicContact CD1-CG2 4.04Å; F570-I627 HydrophobicContact CD2-CB 4.42Å; F570-I627 HydrophobicContact CD2-CD1 4.29Å; F570-I627 HydrophobicContact CE1-CB 3.56Å; F570-I627 HydrophobicContact CE1-CG1 4.25Å; F570-I627 HydrophobicContact CE1-CG2 3.28Å; F570-I627 HydrophobicContact CE2-CB 4.09Å; F570-I627 HydrophobicContact CE2-CD1 3.96Å; F570-I627 HydrophobicContact CE2-CG1 3.97Å; F570-I627 HydrophobicContact CE2-CG2 4.46Å; F570-I627 HydrophobicContact CG-CB 4.35Å; F570-I627 HydrophobicContact CZ-CB 3.65Å; F570-I627 HydrophobicContact CZ-CD1 4.31Å; F570-I627 HydrophobicContact CZ-CG1 3.79Å; F570-I627 HydrophobicContact CZ-CG2 3.54Å; F570-I627 PolarHBondContact N-O 3.23Å; F570-I627 PolarHBondContact O-N 2.91Å; T572-I627 WeakPolarHBondContact OG1-CD1 3.32Å; Y596-I627 HydrophobicContact CD2-CG1 3.89Å; Y596-I627 HydrophobicContact CE2-CD1 4.01Å; Y596-I627 HydrophobicContact CE2-CG1 3.76Å; Y596-I627 HydrophobicContact CG-CG1 4.46Å; V604-I627 HydrophobicContact CG1-CG2 3.87Å; V604-I627 HydrophobicContact CG2-CG2 3.96Å; A625-I627 HydrophobicContact CB-CD1 3.9Å; A625-I627 WeakPolarHBondContact O-CD1 3.36Å; I627-L629 HydrophobicContact CG2-CD2 4.38Å
628S95.6Very high91.4Very high17 Ų1746.8 Ų46.812%0.11926%0.259CS..EExtended strand (participates in β ladder)trans-91.7127.6169-174.60000109.1P326 Q605 S606P326-S628 WeakPolarHBondContact O-CB 3.29Å; Q605-S628 PolarHBondContact N-O 2.9Å; S606-S628 PolarHBondContact N-O 2.95Å; S606-S628 VanDerWaalsContact N-O 3.15Å; S606-S628 PolarHBondContact O-N 3.36Å; S606-S628 WeakPolarHBondContact OG-CB 3.33Å
629L95.9Very high91.9Very high6 Ų650.5 Ų50.53%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-87.4162.8170.5-59.9179.9000110.7G568 F570 N603 V604 Q605 I627 V642 I645G568-L629 VanDerWaalsContact O-CB 3.28Å; G568-L629 WeakPolarHBondContact O-CB 3.31Å; G568-L629 PolarHBondContact O-N 3.09Å; F570-L629 HydrophobicContact CD1-CD1 4.34Å; F570-L629 HydrophobicContact CD1-CD2 4.33Å; F570-L629 HydrophobicContact CD1-CG 4.25Å; F570-L629 HydrophobicContact CE1-CD2 3.8Å; F570-L629 HydrophobicContact CE1-CG 4.22Å; N603-L629 HydrophobicContact CB-CD2 4.43Å; N603-L629 CarbonylContact O-C 3.54Å; N603-L629 WeakPolarHBondContact O-CA 3.31Å; V604-L629 HydrophobicContact CG2-CD2 3.9Å; Q605-L629 PolarHBondContact OE1-O 2.74Å; I627-L629 HydrophobicContact CG2-CD2 4.38Å; L629-V642 HydrophobicContact CD1-CB 4.44Å; L629-V642 HydrophobicContact CD1-CG2 3.32Å; L629-I645 HydrophobicContact CD1-CD1 3.87Å; L629-I645 HydrophobicContact CD2-CD1 3.95Å
630K94.8Very high92.3Very high48 Ų4851.1 Ų51.121%0.20927%0.274CS..PPolyproline II helixtrans-67.9160.7167.9-65.8-175.3-163.9160.40110.7K601 D602 N603 Q605 E634 R635K601-K630 WeakPolarHBondContact O-CE 3.38Å; K601-K630 PolarHBondContact O-NZ 2.9Å; D602-K630 WeakPolarHBondContact O-CD 3.23Å; D602-K630 WeakPolarHBondContact O-CE 3.14Å; D602-K630 PolarHBondContact O-NZ 3.38Å; N603-K630 PolarHBondContact O-N 3.31Å; Q605-K630 HydrophobicContact CB-CG 3.89Å; K630-E634 HydrophobicContact CB-CB 4.4Å; K630-E634 WeakPolarHBondContact CD-OE2 3.43Å; K630-R635 HydrophobicContact CB-CG 4.39Å; K630-R635 PolarHBondContact O-NE 3.3Å
631P91.7Very high92.4Very high56 Ų5647.4 Ų47.436%0.36426%0.26SS..PPolyproline II helixtrans-55.3148.3176.7-2534.6000113S633 E634 R635P631-S633 PolarHBondContact O-N 2.95Å; P631-E634 PolarHBondContact O-N 2.9Å; P631-R635 PolarHBondContact O-N 2.83Å
632W90.8Very high92.5Very high75 Ų7546.4 Ų46.428%0.28426%0.255SS..G310 helixtrans-54-29.7-179.4-61.4-95.7000114F332 I335 D566 E634 R635F332-W632 HydrophobicContact CB-CH2 4.07Å; F332-W632 HydrophobicContact CB-CZ2 4.4Å; F332-W632 AromaticContact CD2-CH2 3.99Å; F332-W632 HydrophobicContact CD2-CH2 3.99Å; F332-W632 AromaticContact CD2-CZ2 3.57Å; F332-W632 HydrophobicContact CD2-CZ2 3.57Å; F332-W632 HydrophobicContact CE2-CZ2 4.37Å; F332-W632 HydrophobicContact CG-CZ2 4.47Å; I335-W632 HydrophobicContact CD1-CE3 3.44Å; I335-W632 VanDerWaalsContact CD1-CE3 3.44Å; I335-W632 HydrophobicContact CD1-CH2 4.3Å; I335-W632 HydrophobicContact CD1-CZ3 3.26Å; D566-W632 WeakPolarHBondContact O-CZ2 3.45Å; D566-W632 PolarHBondContact O-NE1 3.38Å; D566-W632 PolarHBondContact OD1-NE1 3.33Å; W632-E634 PolarHBondContact O-N 3.46Å; W632-R635 CarbonylContact O-C 3.57Å; W632-R635 PolarHBondContact O-N 3.49Å; W632-R635 VanDerWaalsContact O-N 3.15Å
633S89.3Confident92.5Very high100 Ų10048.9 Ų48.970%0.69927%0.271SS*.G310 helixtrans-64.3-24.7176.356.10000114.1P631P631-S633 PolarHBondContact O-N 2.95Å
634E91.6Very high92.5Very high125 Ų12549.6 Ų49.658%0.58428%0.276SS*.G310 helixtrans-94.3-13.4176.5-65.5-178.2-140.800112.3K630 P631 W632K630-E634 HydrophobicContact CB-CB 4.4Å; K630-E634 WeakPolarHBondContact CD-OE2 3.43Å; P631-E634 PolarHBondContact O-N 2.9Å; W632-E634 PolarHBondContact O-N 3.46Å
635R92.6Very high92.5Very high13 Ų1349.6 Ų49.65%0.04928%0.276CS..SBendtrans-11270-177.5-65.5-168.9-63.3114.9-5.4111.2D566 K630 P631 W632 N640D566-R635 IonicContact OD1-CZ 2.92Å; D566-R635 IonicContact OD1-NH1 2.82Å; D566-R635 IonicContact OD1-NH2 3.91Å; D566-R635 PolarHBondContact OD1-NH2 3.28Å; D566-R635 IonicContact OD2-CZ 2.78Å; D566-R635 IonicContact OD2-NH1 3.88Å; D566-R635 PolarHBondContact OD2-NH1 3.27Å; D566-R635 IonicContact OD2-NH2 3.87Å; D566-R635 PolarHBondContact OD2-NH2 3.27Å; K630-R635 HydrophobicContact CB-CG 4.39Å; K630-R635 PolarHBondContact O-NE 3.3Å; P631-R635 PolarHBondContact O-N 2.83Å; W632-R635 CarbonylContact O-C 3.57Å; W632-R635 PolarHBondContact O-N 3.49Å; W632-R635 VanDerWaalsContact O-N 3.15Å; R635-N640 HydrophobicContact CB-CB 4.01Å; R635-N640 PolarHBondContact NH1-O 3.14Å
636V89.2Confident92.4Very high112 Ų11250.6 Ų50.668%0.67928%0.281SS*.  trans-80.9136-178.2-172.40000110.6N640V636-N640 PolarHBondContact O-ND2 2.75Å
637G88.2Confident92.2Very high46 Ų4656.4 Ų56.447%0.47431%0.309SS..SBendtrans98.9153.817400000114.4E639 N640G637-E639 PolarHBondContact O-N 3.34Å; G637-N640 PolarHBondContact O-N 3.4Å; G637-N640 VanDerWaalsContact O-N 3.08Å
638E88.7Confident92.1Very high177 Ų17760.2 Ų60.283%0.82732%0.323SS*.G310 helixtrans-61.3-30.5-178.7-72-171.3167.900112.9N640 S641 A644E638-N640 PolarHBondContact O-N 3.2Å; E638-S641 VanDerWaalsContact O-CB 3.25Å; E638-S641 WeakPolarHBondContact O-CB 3.45Å; E638-S641 PolarHBondContact O-N 2.85Å; E638-S641 VanDerWaalsContact O-N 3.12Å; E638-S641 PolarHBondContact O-OG 3.28Å; E638-A644 VanDerWaalsContact O-CB 3.27Å; E638-A644 WeakPolarHBondContact O-CB 3.19Å
639E91Very high92Very high131 Ų13159.4 Ų59.461%0.61232%0.317SS*.G310 helixtrans-63.1-23.417664.9-155-161.400113.7G637 A644 R648G637-E639 PolarHBondContact O-N 3.34Å; E639-A644 WeakPolarHBondContact O-CB 3.12Å; E639-R648 PolarHBondContact O-NH1 2.77Å; E639-R648 PolarHBondContact O-NH2 2.93Å; E639-R648 VanDerWaalsContact O-NH2 3.11Å
640N92.8Very high91.8Very high33 Ų3363.1 Ų63.118%0.17634%0.335CS..G310 helixtrans-1018.4178.8-64.5-42.3000112.5N603 R635 V636 G637 E638 I645N603-N640 PolarHBondContact ND2-OD1 2.78Å; N603-N640 WeakPolarHBondContact OD1-CB 3.47Å; N603-N640 VanDerWaalsContact OD1-CG 3.28Å; N603-N640 PolarHBondContact OD1-OD1 3.17Å; N603-N640 VanDerWaalsContact OD1-OD1 3.08Å; R635-N640 HydrophobicContact CB-CB 4.01Å; R635-N640 PolarHBondContact NH1-O 3.14Å; V636-N640 PolarHBondContact O-ND2 2.75Å; G637-N640 PolarHBondContact O-N 3.4Å; G637-N640 VanDerWaalsContact O-N 3.08Å; E638-N640 PolarHBondContact O-N 3.2Å; N640-I645 WeakPolarHBondContact O-CD1 3.43Å
641S91.9Very high91.6Very high31 Ų3167 Ų6722%0.21736%0.357CS..SBendtrans-70.2154.6171.269.40000111.7D566 E638 T643 A644 I645D566-S641 WeakPolarHBondContact OD2-CA 3.24Å; E638-S641 VanDerWaalsContact O-CB 3.25Å; E638-S641 WeakPolarHBondContact O-CB 3.45Å; E638-S641 PolarHBondContact O-N 2.85Å; E638-S641 VanDerWaalsContact O-N 3.12Å; E638-S641 PolarHBondContact O-OG 3.28Å; S641-T643 VanDerWaalsContact C-N 3.28Å; S641-T643 PolarHBondContact O-N 2.89Å; S641-A644 PolarHBondContact O-N 2.85Å; S641-A644 WeakPolarHBondContact OG-CB 3.44Å; S641-A644 PolarHBondContact OG-N 3.4Å; S641-I645 WeakPolarHBondContact O-CD1 3.18Å; S641-I645 VanDerWaalsContact O-CG1 3.25Å; S641-I645 WeakPolarHBondContact O-CG1 3.37Å; S641-I645 PolarHBondContact O-N 3.21Å
642V92.6Very high91.7Very high0 Ų065.9 Ų65.90%035%0.353CS..Hα-helixtrans-51-46.6174168.20000111.9D566 F570 L629 A644 I645 I646 N665D566-V642 HydrophobicContact CB-CB 4.37Å; D566-V642 HydrophobicContact CB-CG2 4.17Å; D566-V642 WeakPolarHBondContact OD1-CG2 3.49Å; D566-V642 PolarHBondContact OD2-N 2.98Å; F570-V642 HydrophobicContact CB-CG1 3.98Å; F570-V642 HydrophobicContact CG-CG1 4.44Å; L629-V642 HydrophobicContact CD1-CB 4.44Å; L629-V642 HydrophobicContact CD1-CG2 3.32Å; V642-A644 PolarHBondContact O-N 3.41Å; V642-I645 PolarHBondContact O-N 3.41Å; V642-I646 HydrophobicContact CG1-CD1 3.5Å; V642-I646 HydrophobicContact CG1-CG1 4.24Å; V642-I646 WeakPolarHBondContact O-CB 3.38Å; V642-I646 VanDerWaalsContact O-CG1 3.31Å; V642-I646 WeakPolarHBondContact O-CG1 3.48Å; V642-I646 PolarHBondContact O-N 2.9Å; V642-N665 HydrophobicContact CG1-CB 4.22Å; V642-N665 WeakPolarHBondContact CG1-OD1 3.42Å
643T90.6Very high91.7Very high55 Ų5562.6 Ų62.634%0.33734%0.34SS..Hα-helixtrans-61.4-43-178.5-51.10000112S641 I646 Q647S641-T643 VanDerWaalsContact C-N 3.28Å; S641-T643 PolarHBondContact O-N 2.89Å; T643-I646 PolarHBondContact O-N 3.47Å; T643-Q647 WeakPolarHBondContact O-CG 3.48Å; T643-Q647 PolarHBondContact O-N 3.25Å
644A92.9Very high91.7Very high17 Ų1762 Ų6214%0.1434%0.336CS..Hα-helixtrans-68.6-40177.700000112.3E638 E639 S641 V642 Q647 R648E638-A644 VanDerWaalsContact O-CB 3.27Å; E638-A644 WeakPolarHBondContact O-CB 3.19Å; E639-A644 WeakPolarHBondContact O-CB 3.12Å; S641-A644 PolarHBondContact O-N 2.85Å; S641-A644 WeakPolarHBondContact OG-CB 3.44Å; S641-A644 PolarHBondContact OG-N 3.4Å; V642-A644 PolarHBondContact O-N 3.41Å; A644-Q647 PolarHBondContact O-N 3.07Å; A644-R648 WeakPolarHBondContact O-CG 3.35Å; A644-R648 PolarHBondContact O-N 2.82Å; A644-R648 VanDerWaalsContact O-N 3.09Å
645I94.4Very high91.5Very high0 Ų060.2 Ų60.20%034%0.338CS..Hα-helixtrans-62.4-45.2175.6-65.2161.7000110.2F570 E600 N603 L629 N640 S641 V642 Q647 R648 A649F570-I645 HydrophobicContact CE1-CG2 4.15Å; F570-I645 HydrophobicContact CZ-CG2 4.06Å; E600-I645 HydrophobicContact CG-CG2 4.46Å; N603-I645 HydrophobicContact CB-CD1 3.69Å; N603-I645 HydrophobicContact CB-CG1 4.43Å; L629-I645 HydrophobicContact CD1-CD1 3.87Å; L629-I645 HydrophobicContact CD2-CD1 3.95Å; N640-I645 WeakPolarHBondContact O-CD1 3.43Å; S641-I645 WeakPolarHBondContact O-CD1 3.18Å; S641-I645 VanDerWaalsContact O-CG1 3.25Å; S641-I645 WeakPolarHBondContact O-CG1 3.37Å; S641-I645 PolarHBondContact O-N 3.21Å; V642-I645 PolarHBondContact O-N 3.41Å; I645-Q647 PolarHBondContact O-N 3.47Å; I645-R648 PolarHBondContact O-N 3.31Å; I645-A649 VanDerWaalsContact O-CB 3.24Å; I645-A649 WeakPolarHBondContact O-CB 3.39Å; I645-A649 PolarHBondContact O-N 2.98Å
646I92.9Very high91.4Very high20 Ų2060.6 Ų60.610%0.10334%0.34CS..Hα-helixtrans-60-46.2177.2-75.5169.1000111F570 V642 T643 R648 A649 M650 P663 N665F570-I646 HydrophobicContact CB-CD1 4.1Å; F570-I646 HydrophobicContact CD2-CD1 4.19Å; F570-I646 HydrophobicContact CD2-CG1 3.8Å; F570-I646 HydrophobicContact CE2-CG1 4.18Å; F570-I646 HydrophobicContact CG-CD1 4.26Å; F570-I646 HydrophobicContact CG-CG1 4.18Å; V642-I646 HydrophobicContact CG1-CD1 3.5Å; V642-I646 HydrophobicContact CG1-CG1 4.24Å; V642-I646 WeakPolarHBondContact O-CB 3.38Å; V642-I646 VanDerWaalsContact O-CG1 3.31Å; V642-I646 WeakPolarHBondContact O-CG1 3.48Å; V642-I646 PolarHBondContact O-N 2.9Å; T643-I646 PolarHBondContact O-N 3.47Å; I646-R648 PolarHBondContact O-N 2.94Å; I646-A649 PolarHBondContact O-N 3.22Å; I646-M650 VanDerWaalsContact O-CB 3.27Å; I646-M650 WeakPolarHBondContact O-CB 3.36Å; I646-M650 PolarHBondContact O-N 3.26Å; I646-P663 HydrophobicContact CG1-CB 4.35Å; I646-P663 HydrophobicContact CG2-CB 4.24Å; I646-N665 HydrophobicContact CD1-CB 3.65Å
647Q92.3Very high91.1Very high123 Ų12362.7 Ų62.758%0.57535%0.348SS*.Hα-helixtrans-60.3-44.6178.3-76.6179.8-2.300112.1T643 A644 I645 M650 I651T643-Q647 WeakPolarHBondContact O-CG 3.48Å; T643-Q647 PolarHBondContact O-N 3.25Å; A644-Q647 PolarHBondContact O-N 3.07Å; I645-Q647 PolarHBondContact O-N 3.47Å; Q647-M650 PolarHBondContact O-N 2.84Å; Q647-I651 WeakPolarHBondContact O-CG1 3.48Å; Q647-I651 PolarHBondContact O-N 3.41Å
648R93.9Very high90.9Very high80 Ų8068.1 Ų68.130%0.30236%0.359SS..Hα-helixtrans-64.3-43.2175.9-70.8-165.3-58.6-877.2112.1Y595 E600 E639 A644 I645 I646 M650 I651 A652Y595-R648 PolarHBondContact OH-O 3.03Å; E600-R648 IonicContact OE1-CZ 3.28Å; E600-R648 IonicContact OE1-NE 3.5Å; E600-R648 PolarHBondContact OE1-NE 3.46Å; E600-R648 IonicContact OE1-NH2 3.73Å; E600-R648 PolarHBondContact OE1-NH2 2.86Å; E600-R648 VanDerWaalsContact OE1-NH2 3.16Å; E600-R648 IonicContact OE2-CZ 2.61Å; E600-R648 IonicContact OE2-NH2 3.77Å; E600-R648 PolarHBondContact OE2-NH2 3.07Å; E639-R648 PolarHBondContact O-NH1 2.77Å; E639-R648 PolarHBondContact O-NH2 2.93Å; E639-R648 VanDerWaalsContact O-NH2 3.11Å; A644-R648 WeakPolarHBondContact O-CG 3.35Å; A644-R648 PolarHBondContact O-N 2.82Å; A644-R648 VanDerWaalsContact O-N 3.09Å; I645-R648 PolarHBondContact O-N 3.31Å; I646-R648 PolarHBondContact O-N 2.94Å; R648-M650 VanDerWaalsContact C-N 3.34Å; R648-I651 PolarHBondContact O-N 3.4Å; R648-A652 WeakPolarHBondContact O-CB 3.49Å; R648-A652 PolarHBondContact O-N 3.15Å
649A94.1Very high90.9Very high0 Ų060.3 Ų60.30%032%0.324CS..Hα-helixtrans-63.7-41.2178.300000111.4Y595 Y596 I645 I646 I651 A652 L653 P663Y595-A649 HydrophobicContact CE1-CB 3.75Å; Y595-A649 WeakPolarHBondContact OH-CA 3.26Å; Y595-A649 PolarHBondContact OH-N 3.36Å; Y596-A649 HydrophobicContact CE1-CB 3.72Å; Y596-A649 WeakPolarHBondContact OH-CB 3.31Å; I645-A649 VanDerWaalsContact O-CB 3.24Å; I645-A649 WeakPolarHBondContact O-CB 3.39Å; I645-A649 PolarHBondContact O-N 2.98Å; I646-A649 PolarHBondContact O-N 3.22Å; A649-I651 VanDerWaalsContact C-N 3.34Å; A649-I651 PolarHBondContact O-N 3Å; A649-A652 PolarHBondContact O-N 3.36Å; A649-L653 HydrophobicContact CB-CD1 4.26Å; A649-L653 WeakPolarHBondContact O-CB 3.36Å; A649-L653 WeakPolarHBondContact O-CG 3.49Å; A649-L653 PolarHBondContact O-N 3.4Å; A649-P663 HydrophobicContact CB-CB 4.31Å; A649-P663 HydrophobicContact CB-CG 3.78Å
650M91.4Very high90.8Very high84 Ų8459 Ų5941%0.41433%0.325SS..Hα-helixtrans-60.9-43.3177.7-169170.917800111.2I646 Q647 R648 S654 F662I646-M650 VanDerWaalsContact O-CB 3.27Å; I646-M650 WeakPolarHBondContact O-CB 3.36Å; I646-M650 PolarHBondContact O-N 3.26Å; Q647-M650 PolarHBondContact O-N 2.84Å; R648-M650 VanDerWaalsContact C-N 3.34Å; M650-S654 WeakPolarHBondContact O-CB 3.03Å; M650-S654 PolarHBondContact O-N 2.64Å; M650-S654 VanDerWaalsContact O-N 3.14Å; M650-F662 HydrophobicContact CE-CD2 3.81Å; M650-F662 HydrophobicContact CE-CE2 3.45Å; M650-F662 VanDerWaalsContact CE-CE2 3.45Å; M650-F662 HydrophobicContact SD-CD2 4.27Å; M650-F662 HydrophobicContact SD-CE2 3.82Å
651I91.4Very high90.8Very high129 Ų12958 Ų5866%0.66232%0.32SS*.Hα-helixtrans-65-49.7174.7-63.8166.5000110.7Q647 R648 A649 L653 S654Q647-I651 WeakPolarHBondContact O-CG1 3.48Å; Q647-I651 PolarHBondContact O-N 3.41Å; R648-I651 PolarHBondContact O-N 3.4Å; A649-I651 VanDerWaalsContact C-N 3.34Å; A649-I651 PolarHBondContact O-N 3Å; I651-L653 PolarHBondContact O-N 3.49Å; I651-S654 PolarHBondContact O-N 3.2Å; I651-S654 PolarHBondContact O-OG 3.33Å
652A92.2Very high90.7Very high33 Ų3358.5 Ų58.527%0.27332%0.318SS..Hα-helixtrans-65.2-42.6-175.800000112.8Y595 R648 A649 S655Y595-A652 HydrophobicContact CD2-CB 4Å; Y595-A652 HydrophobicContact CE1-CB 4.45Å; Y595-A652 HydrophobicContact CE2-CB 3.32Å; R648-A652 WeakPolarHBondContact O-CB 3.49Å; R648-A652 PolarHBondContact O-N 3.15Å; A649-A652 PolarHBondContact O-N 3.36Å; A652-S655 WeakPolarHBondContact O-CB 3.47Å; A652-S655 PolarHBondContact O-N 3.14Å; A652-S655 PolarHBondContact O-OG 3.48Å
653L92.2Very high90.7Very high5 Ų558.5 Ų58.53%0.02632%0.318CS..Hα-helixtrans-79.4-17.9-176.6-62.2171.5000112.7T572 V592 Y595 Y596 A649 I651 S655 I656 V661 P663T572-L653 HydrophobicContact CG2-CD1 4.28Å; V592-L653 HydrophobicContact CG1-CD1 4.49Å; V592-L653 HydrophobicContact CG2-CD2 4.14Å; Y595-L653 HydrophobicContact CD1-CD1 4.45Å; Y595-L653 HydrophobicContact CD1-CD2 4.17Å; Y595-L653 HydrophobicContact CD1-CG 4.33Å; Y595-L653 HydrophobicContact CG-CD2 4.17Å; Y596-L653 HydrophobicContact CE2-CD1 4.42Å; A649-L653 HydrophobicContact CB-CD1 4.26Å; A649-L653 WeakPolarHBondContact O-CB 3.36Å; A649-L653 WeakPolarHBondContact O-CG 3.49Å; A649-L653 PolarHBondContact O-N 3.4Å; I651-L653 PolarHBondContact O-N 3.49Å; L653-S655 PolarHBondContact O-N 2.84Å; L653-S655 VanDerWaalsContact O-N 3.11Å; L653-I656 HydrophobicContact CD2-CD1 3.85Å; L653-I656 WeakPolarHBondContact O-CB 3.35Å; L653-I656 WeakPolarHBondContact O-CG1 3.43Å; L653-I656 PolarHBondContact O-N 3.38Å; L653-V661 HydrophobicContact CB-CB 4.15Å; L653-V661 HydrophobicContact CB-CG1 3.91Å; L653-V661 HydrophobicContact CD1-CG1 3.8Å; L653-V661 HydrophobicContact CG-CG1 4.32Å; L653-P663 HydrophobicContact CD1-CG 3.89Å
654S88.3Confident90.7Very high88 Ų8856.4 Ų56.462%0.61531%0.305SS*.THydrogen-bonded Turntrans-59.7-19.6170.474.30000113.6M650 I651 I656M650-S654 WeakPolarHBondContact O-CB 3.03Å; M650-S654 PolarHBondContact O-N 2.64Å; M650-S654 VanDerWaalsContact O-N 3.14Å; I651-S654 PolarHBondContact O-N 3.2Å; I651-S654 PolarHBondContact O-OG 3.33Å; S654-I656 PolarHBondContact O-N 2.95Å
655S88.5Confident90.5Very high88 Ų8856 Ų5662%0.61530%0.3SS*.THydrogen-bonded Turntrans-69.8-11.5174.768.10000114.1A652 L653 N657A652-S655 WeakPolarHBondContact O-CB 3.47Å; A652-S655 PolarHBondContact O-N 3.14Å; A652-S655 PolarHBondContact O-OG 3.48Å; L653-S655 PolarHBondContact O-N 2.84Å; L653-S655 VanDerWaalsContact O-N 3.11Å; S655-N657 PolarHBondContact O-N 3.34Å; S655-N657 PolarHBondContact O-OD1 2.91Å
656I89.3Confident90.1Very high20 Ų2056.4 Ų56.410%0.10330%0.302CS..  trans-80.286.2178.3-57174.8000109.1V588 Q591 V592 L653 S654 K658 A659 V661V588-I656 HydrophobicContact CG1-CG2 4.21Å; V588-I656 HydrophobicContact CG2-CG2 4.29Å; Q591-I656 HydrophobicContact CB-CD1 4.27Å; V592-I656 HydrophobicContact CG2-CD1 4.43Å; L653-I656 HydrophobicContact CD2-CD1 3.85Å; L653-I656 WeakPolarHBondContact O-CB 3.35Å; L653-I656 WeakPolarHBondContact O-CG1 3.43Å; L653-I656 PolarHBondContact O-N 3.38Å; S654-I656 PolarHBondContact O-N 2.95Å; I656-K658 PolarHBondContact O-N 3.18Å; I656-A659 HydrophobicContact CG2-CB 4.3Å; I656-A659 PolarHBondContact O-N 2.98Å; I656-V661 HydrophobicContact CB-CG2 4.49Å; I656-V661 HydrophobicContact CD1-CG2 4.15Å
657N84.1Confident89.6Confident156 Ų15656.3 Ų56.383%0.83430%0.303SS*.THydrogen-bonded Turntrans-60.9-12.4-176.5-63.5-8.9000115.6S655S655-N657 PolarHBondContact O-N 3.34Å; S655-N657 PolarHBondContact O-OD1 2.91Å
658K84.2Confident89Confident161 Ų16150.8 Ų50.870%0.728%0.278SS*.THydrogen-bonded Turntrans-97.5-4.7-174.2-66.8-172.3178.9-176.90114.1P577 I656P577-K658 WeakPolarHBondContact CD-O 3.27Å; I656-K658 PolarHBondContact O-N 3.18Å
659A88.2Confident88.3Confident12 Ų1247.2 Ų47.210%0.09927%0.265CS..SBendtrans-152.2146.4-177.500000110.1Q575 L576 V588 I656 V661Q575-A659 CarbonylContact O-C 3.48Å; Q575-A659 WeakPolarHBondContact O-CA 3.38Å; L576-A659 HydrophobicContact CD1-CB 3.79Å; L576-A659 HydrophobicContact CG-CB 3.87Å; V588-A659 HydrophobicContact CG1-CB 3.8Å; V588-A659 HydrophobicContact CG2-CB 4.14Å; I656-A659 HydrophobicContact CG2-CB 4.3Å; I656-A659 PolarHBondContact O-N 2.98Å; A659-V661 HydrophobicContact CB-CG2 3.9Å; A659-V661 PolarHBondContact O-N 3.47Å
660V89.4Confident87.2Confident104 Ų10448 Ų4863%0.6327%0.272SS*.EExtended strand (participates in β ladder)trans-81108.3162.7-177.80000106.6Q575Q575-V660 PolarHBondContact N-O 2.76Å; Q575-V660 PolarHBondContact O-N 3.23Å
661V91.8Very high86.3Confident13 Ų1346.2 Ų46.28%0.07926%0.262CS..EExtended strand (participates in β ladder)trans-109118.6178.4-176.60000108.4T572 T573 A574 V588 V592 L653 I656 A659T572-V661 HydrophobicContact CG2-CG1 3.51Å; T573-V661 CarbonylContact O-C 3.53Å; T573-V661 WeakPolarHBondContact O-CA 3.44Å; A574-V661 HydrophobicContact CB-CG2 4.18Å; V588-V661 HydrophobicContact CG1-CG2 3.89Å; V592-V661 HydrophobicContact CG2-CG1 3.77Å; V592-V661 HydrophobicContact CG2-CG2 4.49Å; L653-V661 HydrophobicContact CB-CB 4.15Å; L653-V661 HydrophobicContact CB-CG1 3.91Å; L653-V661 HydrophobicContact CD1-CG1 3.8Å; L653-V661 HydrophobicContact CG-CG1 4.32Å; I656-V661 HydrophobicContact CB-CG2 4.49Å; I656-V661 HydrophobicContact CD1-CG2 4.15Å; A659-V661 HydrophobicContact CB-CG2 3.9Å; A659-V661 PolarHBondContact O-N 3.47Å
662F89.3Confident85.4Confident40 Ų4043.7 Ų43.718%0.17525%0.25CC..EExtended strand (participates in β ladder)trans-130.4106.7-173-174.2-106000110.8T572 T573 M650 F664T572-F662 WeakPolarHBondContact CA-O 3.45Å; T573-F662 PolarHBondContact N-O 2.69Å; T573-F662 PolarHBondContact O-N 3.23Å; M650-F662 HydrophobicContact CE-CD2 3.81Å; M650-F662 HydrophobicContact CE-CE2 3.45Å; M650-F662 VanDerWaalsContact CE-CE2 3.45Å; M650-F662 HydrophobicContact SD-CD2 4.27Å; M650-F662 HydrophobicContact SD-CE2 3.82Å; F662-F664 HydrophobicContact CD1-CB 4.04Å; F662-F664 HydrophobicContact CD1-CD1 4.1Å; F662-F664 HydrophobicContact CD1-CG 4.44Å; F662-F664 HydrophobicContact CE1-CB 3.61Å; F662-F664 HydrophobicContact CE1-CD1 4.48Å; F662-F664 HydrophobicContact CE1-CG 4.37Å; F662-F664 HydrophobicContact CZ-CB 4.47Å
663P92.9Very high84.5Confident0 Ų043.1 Ų43.10%025%0.247CC..EExtended strand (participates in β ladder)trans-74.1139166.4-13.430.4000110.6F570 M571 T572 Y596 I646 A649 L653F570-P663 HydrophobicContact CE2-CB 4.24Å; M571-P663 WeakPolarHBondContact O-CA 3.32Å; T572-P663 HydrophobicContact CG2-CG 4.12Å; Y596-P663 WeakPolarHBondContact OH-CG 3.43Å; I646-P663 HydrophobicContact CG1-CB 4.35Å; I646-P663 HydrophobicContact CG2-CB 4.24Å; A649-P663 HydrophobicContact CB-CB 4.31Å; A649-P663 HydrophobicContact CB-CG 3.78Å; L653-P663 HydrophobicContact CD1-CG 3.89Å
664F90.2Very high83.5Confident12 Ų1245.3 Ų45.35%0.05326%0.261CS..EExtended strand (participates in β ladder)trans-147.7152.4178.561.5-77000111.3M571 T573 F615 F662 T674 A675M571-F664 HydrophobicContact CB-CE1 3.76Å; M571-F664 HydrophobicContact CB-CE2 4.08Å; M571-F664 HydrophobicContact CB-CZ 3.54Å; M571-F664 HydrophobicContact CG-CZ 4.5Å; M571-F664 PolarHBondContact N-O 3.44Å; M571-F664 PolarHBondContact O-N 3.08Å; M571-F664 HydrophobicContact SD-CZ 4.36Å; T573-F664 HydrophobicContact CG2-CD1 4.06Å; T573-F664 HydrophobicContact CG2-CE1 3.32Å; T573-F664 HydrophobicContact CG2-CZ 4.09Å; F615-F664 HydrophobicContact CD2-CZ 4.02Å; F615-F664 HydrophobicContact CE2-CE2 4.39Å; F615-F664 AromaticContact CE2-CZ 3.86Å; F615-F664 HydrophobicContact CE2-CZ 3.86Å; F662-F664 HydrophobicContact CD1-CB 4.04Å; F662-F664 HydrophobicContact CD1-CD1 4.1Å; F662-F664 HydrophobicContact CD1-CG 4.44Å; F662-F664 HydrophobicContact CE1-CB 3.61Å; F662-F664 HydrophobicContact CE1-CD1 4.48Å; F662-F664 HydrophobicContact CE1-CG 4.37Å; F662-F664 HydrophobicContact CZ-CB 4.47Å; F664-T674 VanDerWaalsContact CE2-O 3.26Å; F664-T674 WeakPolarHBondContact CE2-O 3.45Å; F664-A675 HydrophobicContact CD2-CB 4.07Å
665N89.8Confident82.7Confident7 Ų742.7 Ų42.74%0.03725%0.245CC..PPolyproline II helixtrans-87.7157.2177-159.88.1000110.3E565 V642 I646E565-N665 PolarHBondContact O-ND2 2.94Å; V642-N665 HydrophobicContact CG1-CB 4.22Å; V642-N665 WeakPolarHBondContact CG1-OD1 3.42Å; I646-N665 HydrophobicContact CD1-CB 3.65Å
666L85.6Confident82Confident9 Ų940.9 Ų40.95%0.04723%0.232CC..PPolyproline II helixtrans-73.6144.7170-71137000109.9Y327 V569 M571Y327-L666 HydrophobicContact CE2-CD1 4.01Å; Y327-L666 WeakPolarHBondContact OH-CD1 3.34Å; Y327-L666 WeakPolarHBondContact OH-CD2 3.4Å; V569-L666 HydrophobicContact CB-CD1 4.36Å; V569-L666 HydrophobicContact CG2-CD1 3.53Å; M571-L666 HydrophobicContact CE-CD2 4Å
667P82.3Confident81.6Confident19 Ų1943.8 Ų43.812%0.12327%0.267CS..PPolyproline II helixtrans-64.9152.5168.125.7-28.5000110.2Q567 V669 G673Q567-P667 PolarHBondContact NE2-O 2.86Å; Q567-P667 VanDerWaalsContact NE2-O 3.09Å; P667-V669 PolarHBondContact O-N 3.38Å; P667-G673 WeakPolarHBondContact CG-O 3.27Å
668A80.4Confident81.5Confident7 Ų742.2 Ų42.26%0.05825%0.253CS..SBendtrans-53.6-40.1177.900000112Q34 Y35 L562 Q567Q34-A668 PolarHBondContact NE2-O 3.29Å; Y35-A668 HydrophobicContact CE2-CB 4.35Å; Y35-A668 WeakPolarHBondContact CE2-O 3.44Å; L562-A668 HydrophobicContact CB-CB 4.07Å; L562-A668 HydrophobicContact CD1-CB 4.22Å; Q567-A668 PolarHBondContact NE2-O 3.05Å
669V79.3Confident81.5Confident5 Ų541.4 Ų41.43%0.0326%0.256CS..SBendtrans-10799171.6-1790000108.2Y35 I38 L562 P667 E671 L672Y35-V669 HydrophobicContact CD1-CG2 4.03Å; Y35-V669 HydrophobicContact CD2-CB 4.49Å; Y35-V669 HydrophobicContact CD2-CG2 3.58Å; Y35-V669 HydrophobicContact CE1-CG2 4.35Å; Y35-V669 HydrophobicContact CE2-CG2 3.94Å; Y35-V669 HydrophobicContact CG-CG2 3.64Å; I38-V669 HydrophobicContact CD1-CG1 4.29Å; I38-V669 HydrophobicContact CD1-CG2 3.78Å; L562-V669 HydrophobicContact CD1-CB 4.32Å; L562-V669 HydrophobicContact CD1-CG2 3.42Å; L562-V669 VanDerWaalsContact CD1-CG2 3.42Å; P667-V669 PolarHBondContact O-N 3.38Å; V669-E671 HydrophobicContact CG1-CB 4.11Å; V669-E671 PolarHBondContact O-N 2.81Å; V669-E671 VanDerWaalsContact O-N 3.11Å; V669-L672 HydrophobicContact CB-CD1 3.95Å; V669-L672 HydrophobicContact CB-CG 4.09Å; V669-L672 HydrophobicContact CG1-CD1 4.12Å; V669-L672 HydrophobicContact CG1-CG 3.83Å; V669-L672 PolarHBondContact O-N 2.78Å
670A69.9Low81.6Confident16 Ų1646.2 Ų46.213%0.13228%0.278CS..G310 helixtrans-58.8-23.5179.600000113.2N135 L672 G673N135-A670 HydrophobicContact CB-CB 3.87Å; N135-A670 WeakPolarHBondContact CB-O 3.28Å; A670-L672 PolarHBondContact O-N 3.02Å; A670-G673 PolarHBondContact O-N 2.94Å
671E72.6Confident81.6Confident47 Ų4747.5 Ų47.522%0.2228%0.277CS..G310 helixtrans-70.6-18.7177.7-52.4-174.7157.900113.5A39 V669A39-E671 HydrophobicContact CB-CB 3.37Å; A39-E671 HydrophobicContact CB-CG 4.48Å; A39-E671 WeakPolarHBondContact CB-O 3.31Å; V669-E671 HydrophobicContact CG1-CB 4.11Å; V669-E671 PolarHBondContact O-N 2.81Å; V669-E671 VanDerWaalsContact O-N 3.11Å
672L73.9Confident81.7Confident75 Ų7550.3 Ų50.339%0.39329%0.291SS..G310 helixtrans-86.7-10-179.3-66.6177.4000113.5I38 A39 F561 V669 A670I38-L672 HydrophobicContact CG2-CD1 4.47Å; I38-L672 HydrophobicContact CG2-CD2 4.39Å; A39-L672 HydrophobicContact CB-CD2 4.29Å; F561-L672 HydrophobicContact CD1-CD1 4.4Å; F561-L672 HydrophobicContact CE1-CD1 3.7Å; V669-L672 HydrophobicContact CB-CD1 3.95Å; V669-L672 HydrophobicContact CB-CG 4.09Å; V669-L672 HydrophobicContact CG1-CD1 4.12Å; V669-L672 HydrophobicContact CG1-CG 3.83Å; V669-L672 PolarHBondContact O-N 2.78Å; A670-L672 PolarHBondContact O-N 3.02Å
673G73.4Confident81.8Confident22 Ų2254.2 Ų54.223%0.22731%0.313CS..  trans160.9177.3-179.600000113.2P667 A670P667-G673 WeakPolarHBondContact CG-O 3.27Å; A670-G673 PolarHBondContact O-N 2.94Å
674T69.4Low81.9Confident50 Ų5056.3 Ų56.331%0.30732%0.324SS..SBendtrans-98.6-17.1-179.454.80000113.4F615 F664F615-T674 HydrophobicContact CD1-CG2 4.03Å; F615-T674 HydrophobicContact CE1-CG2 4.04Å; F615-T674 HydrophobicContact CG-CG2 4.33Å; F615-T674 HydrophobicContact CZ-CG2 4.33Å; F664-T674 VanDerWaalsContact CE2-O 3.26Å; F664-T674 WeakPolarHBondContact CE2-O 3.45Å
675A72.9Confident81.9Confident33 Ų3362.6 Ų62.627%0.27336%0.358SS..SBendtrans-134.8153.3179.100000111.4F664F664-A675 HydrophobicContact CD2-CB 4.07Å
676S73.3Confident81.9Confident51 Ų5164.8 Ų64.836%0.35738%0.383SS..SBendtrans-76.7153.9170.865.20000111.9E564E564-S676 VanDerWaalsContact OE1-CB 3.3Å; E564-S676 WeakPolarHBondContact OE1-CB 3.23Å; E564-S676 PolarHBondContact OE1-OG 3.16Å
677G80.4Confident82.1Confident80 Ų8071.4 Ų71.483%0.82542%0.419SS*.SBendtrans121.1-145.2177.900000113.4
678F82.7Confident82.5Confident124 Ų12476.3 Ų76.354%0.54444%0.443SS..  trans-109155.7173.769.3-93.6000110.4M680 V711 V714F678-M680 HydrophobicContact CE2-SD 4.32Å; F678-V711 HydrophobicContact CE1-CG1 4.32Å; F678-V714 HydrophobicContact CE1-CG2 4.21Å; F678-V714 HydrophobicContact CZ-CG1 4.15Å; F678-V714 HydrophobicContact CZ-CG2 3.89Å
679D84.1Confident83.1Confident143 Ų14377.6 Ų77.677%0.76546%0.457SS*.  trans-126.3139.4171.2-164.83.9000108.9
680M89Confident83.6Confident113 Ų11382.4 Ų82.456%0.55748%0.479SS*.  trans-149.8142.5179.388.8-176.2-62.300111.4F678 L700F678-M680 HydrophobicContact CE2-SD 4.32Å; M680-L700 HydrophobicContact SD-CD2 4.12Å
681E90.9Very high84.6Confident132 Ų13288.6 Ų88.662%0.61751%0.505SS*.  trans-105.2133.1175.4-65.2-66.3178.500110.9L683E681-L683 HydrophobicContact CB-CD2 4.26Å
682L92.7Very high85.7Confident71 Ų7191.8 Ų91.837%0.37252%0.518SS..  trans-98.2113.6172.8-170.670.1000108.7L693 A696 R697L682-L693 HydrophobicContact CB-CD1 4.43Å; L682-L693 HydrophobicContact CD2-CD1 3.86Å; L682-L693 HydrophobicContact CG-CD1 3.83Å; L682-A696 HydrophobicContact CD2-CB 4.01Å; L682-R697 HydrophobicContact CD2-CB 4.18Å
683L92.9Very high86.7Confident122 Ų12290.9 Ų90.964%0.63951%0.513SS*.  trans-102.8137.1-173.7-56.8178.2000112.2E681 N685E681-L683 HydrophobicContact CB-CD2 4.26Å; L683-N685 PolarHBondContact O-N 3.37Å
684D93.9Very high87.6Confident44 Ų4490.8 Ų90.824%0.23551%0.508CS..  trans-8979.7169.6-177.817000111.6G686 N687 L688 G689 L693D684-G686 PolarHBondContact O-N 3.43Å; D684-G686 PolarHBondContact OD1-N 3.19Å; D684-N687 PolarHBondContact OD1-N 3.08Å; D684-N687 VanDerWaalsContact OD1-N 3.09Å; D684-N687 WeakPolarHBondContact OD2-CA 3.49Å; D684-L688 VanDerWaalsContact CG-N 3.3Å; D684-L688 PolarHBondContact OD1-N 2.8Å; D684-L688 PolarHBondContact OD2-N 2.85Å; D684-G689 PolarHBondContact OD2-N 2.83Å; D684-L693 HydrophobicContact CB-CD1 4.24Å; D684-L693 HydrophobicContact CB-CD2 4.25Å
685N90.6Very high88.7Confident144 Ų14493.3 Ų93.377%0.7752%0.517SS*.THydrogen-bonded Turntrans-75.2-13.3175.3-68.4-26.8000113.4L683L683-N685 PolarHBondContact O-N 3.37Å
686G90.5Very high89.8Confident54 Ų5493.7 Ų93.756%0.55752%0.52SS*.THydrogen-bonded Turntrans-91-4.6-176.500000113.8D684 L688D684-G686 PolarHBondContact O-N 3.43Å; D684-G686 PolarHBondContact OD1-N 3.19Å; G686-L688 PolarHBondContact O-N 3.35Å
687N89.5Confident90.7Very high148 Ų14893.3 Ų93.379%0.79151%0.511SS*.  trans50.441.8-166.6-62.9-37.6000111.6D684 G689D684-N687 PolarHBondContact OD1-N 3.08Å; D684-N687 VanDerWaalsContact OD1-N 3.09Å; D684-N687 WeakPolarHBondContact OD2-CA 3.49Å; N687-G689 PolarHBondContact O-N 3.3Å
688L91.2Very high91.4Very high122 Ų12292.8 Ų92.864%0.63949%0.489SS*.  trans-71.7-20.6177.9-61.3177.7000112.2D684 G686 K692D684-L688 VanDerWaalsContact CG-N 3.3Å; D684-L688 PolarHBondContact OD1-N 2.8Å; D684-L688 PolarHBondContact OD2-N 2.85Å; G686-L688 PolarHBondContact O-N 3.35Å; L688-K692 HydrophobicContact CB-CB 3.68Å; L688-K692 HydrophobicContact CB-CG 4.18Å
689G91.5Very high91.9Very high34 Ų3493 Ų9335%0.35149%0.492SS..  trans89.9167.2178.100000113.9D684 N687 E691 K692 L693D684-G689 PolarHBondContact OD2-N 2.83Å; N687-G689 PolarHBondContact O-N 3.3Å; G689-E691 PolarHBondContact O-N 3.27Å; G689-K692 PolarHBondContact O-N 2.91Å; G689-K692 VanDerWaalsContact O-N 3.13Å; G689-L693 PolarHBondContact O-N 2.98Å; G689-L693 VanDerWaalsContact O-N 3.12Å
690H90.7Very high92.3Very high106 Ų10689.7 Ų89.749%0.49147%0.473SS..Hα-helixtrans-52.6-46.6-172.3-178.162.5000114.5K692 L693 T694 D721H690-K692 VanDerWaalsContact C-N 3.31Å; H690-K692 PolarHBondContact O-N 3.38Å; H690-L693 PolarHBondContact O-N 3.27Å; H690-T694 WeakPolarHBondContact O-CB 3.29Å; H690-T694 PolarHBondContact O-N 2.84Å; H690-T694 PolarHBondContact O-OG1 3.42Å; H690-D721 IonicContact CD2-OD1 3.85Å; H690-D721 IonicContact CD2-OD2 3.79Å; H690-D721 IonicContact CE1-OD1 3.62Å; H690-D721 IonicContact NE2-OD1 2.78Å; H690-D721 PolarHBondContact NE2-OD1 2.88Å; H690-D721 IonicContact NE2-OD2 3.38Å; H690-D721 PolarHBondContact NE2-OD2 3.44Å
691E91.2Very high92.4Very high146 Ų14686.2 Ų86.268%0.68246%0.457SS*.Hα-helixtrans-62.2-38.8-178.5-71.6-174.8169.500112.4G689 Q695G689-E691 PolarHBondContact O-N 3.27Å; E691-Q695 VanDerWaalsContact O-CG 3.31Å; E691-Q695 WeakPolarHBondContact O-CG 3.11Å; E691-Q695 PolarHBondContact O-N 2.98Å
692K94.2Very high92.5Very high114 Ų11482.9 Ų82.950%0.49645%0.448SS..Hα-helixtrans-73.8-39.4-179.1-74.2-70.4176.4-168.30111.7L688 G689 H690 T694 Q695 A696L688-K692 HydrophobicContact CB-CB 3.68Å; L688-K692 HydrophobicContact CB-CG 4.18Å; G689-K692 PolarHBondContact O-N 2.91Å; G689-K692 VanDerWaalsContact O-N 3.13Å; H690-K692 VanDerWaalsContact C-N 3.31Å; H690-K692 PolarHBondContact O-N 3.38Å; K692-T694 VanDerWaalsContact C-N 3.33Å; K692-Q695 PolarHBondContact O-N 2.66Å; K692-A696 PolarHBondContact O-N 3.16Å
693L94.8Very high92.5Very high55 Ų5583.8 Ų83.829%0.28845%0.453SS..Hα-helixtrans-62.7-42.4173.6-174.562.6000111.2L682 D684 G689 H690 Q695 A696 R697L682-L693 HydrophobicContact CB-CD1 4.43Å; L682-L693 HydrophobicContact CD2-CD1 3.86Å; L682-L693 HydrophobicContact CG-CD1 3.83Å; D684-L693 HydrophobicContact CB-CD1 4.24Å; D684-L693 HydrophobicContact CB-CD2 4.25Å; G689-L693 PolarHBondContact O-N 2.98Å; G689-L693 VanDerWaalsContact O-N 3.12Å; H690-L693 PolarHBondContact O-N 3.27Å; L693-Q695 PolarHBondContact O-N 2.84Å; L693-A696 PolarHBondContact O-N 3.2Å; L693-R697 PolarHBondContact O-N 2.79Å
694T92.5Very high92.4Very high20 Ų2078.8 Ų78.812%0.12343%0.429CS..Hα-helixtrans-63.4-40176.6-61.20000112.1H690 K692 R697 N698H690-T694 WeakPolarHBondContact O-CB 3.29Å; H690-T694 PolarHBondContact O-N 2.84Å; H690-T694 PolarHBondContact O-OG1 3.42Å; K692-T694 VanDerWaalsContact C-N 3.33Å; T694-R697 PolarHBondContact O-N 3.04Å; T694-N698 VanDerWaalsContact O-CG 3.24Å; T694-N698 PolarHBondContact O-N 3.45Å; T694-N698 PolarHBondContact O-ND2 3.19Å
695Q93.6Very high92.1Very high103 Ų10380.5 Ų80.548%0.48145%0.45SS..Hα-helixtrans-60.4-47.3172.6-76.2169.614.900111.6E691 K692 L693 R697 N698 E699E691-Q695 VanDerWaalsContact O-CG 3.31Å; E691-Q695 WeakPolarHBondContact O-CG 3.11Å; E691-Q695 PolarHBondContact O-N 2.98Å; K692-Q695 PolarHBondContact O-N 2.66Å; L693-Q695 PolarHBondContact O-N 2.84Å; Q695-R697 PolarHBondContact O-N 3Å; Q695-N698 PolarHBondContact O-N 3.44Å; Q695-E699 PolarHBondContact O-N 3.19Å
696A94.7Very high92.1Very high41 Ų4180.1 Ų80.134%0.33944%0.443SS..Hα-helixtrans-63.3-40.4179.100000112.5L682 K692 L693 N698 E699 L700L682-A696 HydrophobicContact CD2-CB 4.01Å; K692-A696 PolarHBondContact O-N 3.16Å; L693-A696 PolarHBondContact O-N 3.2Å; A696-N698 PolarHBondContact O-N 3.01Å; A696-E699 PolarHBondContact O-N 3.26Å; A696-L700 WeakPolarHBondContact O-CB 3.32Å; A696-L700 PolarHBondContact O-N 3.16Å
697R94.1Very high92.1Very high44 Ų4479.8 Ų79.817%0.16643%0.432CS..Hα-helixtrans-56.7-48.9172.5-179.3-159.472.4-1731.7111.3L682 L693 T694 Q695 E699 L700 L701 E720L682-R697 HydrophobicContact CD2-CB 4.18Å; L693-R697 PolarHBondContact O-N 2.79Å; T694-R697 PolarHBondContact O-N 3.04Å; Q695-R697 PolarHBondContact O-N 3Å; R697-E699 VanDerWaalsContact C-N 3.34Å; R697-E699 PolarHBondContact O-N 2.82Å; R697-L700 PolarHBondContact O-N 2.95Å; R697-L701 HydrophobicContact CG-CD1 4.2Å; R697-L701 WeakPolarHBondContact O-CG 3.49Å; R697-L701 PolarHBondContact O-N 3.37Å; R697-E720 IonicContact CZ-OE1 3.93Å; R697-E720 IonicContact CZ-OE2 2.97Å; R697-E720 IonicContact NH1-OE1 3.38Å; R697-E720 IonicContact NH1-OE2 3.16Å; R697-E720 IonicContact NH2-OE1 2.76Å; R697-E720 PolarHBondContact NH2-OE1 2.86Å; R697-E720 IonicContact NH2-OE2 3.98Å; R697-E720 PolarHBondContact NH2-OE2 2.92Å
698N93.1Very high91.6Very high69 Ų6976.6 Ų76.637%0.36942%0.42SS..Hα-helixtrans-67.8-35.5-178.3-67.7-17.5000112.2T694 Q695 A696 L701 S702T694-N698 VanDerWaalsContact O-CG 3.24Å; T694-N698 PolarHBondContact O-N 3.45Å; T694-N698 PolarHBondContact O-ND2 3.19Å; Q695-N698 PolarHBondContact O-N 3.44Å; A696-N698 PolarHBondContact O-N 3.01Å; N698-L701 PolarHBondContact O-N 3.03Å; N698-S702 WeakPolarHBondContact O-CB 3.28Å; N698-S702 PolarHBondContact O-N 3.26Å
699E93.8Very high91.1Very high129 Ų12978.5 Ų78.560%0.60343%0.43SS*.Hα-helixtrans-63-47.1172.3-174.4174.9179.900111.2Q695 A696 R697 L701 S702 L703Q695-E699 PolarHBondContact O-N 3.19Å; A696-E699 PolarHBondContact O-N 3.26Å; R697-E699 VanDerWaalsContact C-N 3.34Å; R697-E699 PolarHBondContact O-N 2.82Å; E699-L701 PolarHBondContact O-N 3.28Å; E699-S702 WeakPolarHBondContact O-CB 3.28Å; E699-S702 PolarHBondContact O-N 3.24Å; E699-S702 VanDerWaalsContact O-N 3.15Å; E699-L703 HydrophobicContact CG-CD1 4.29Å; E699-L703 WeakPolarHBondContact O-CG 3.4Å; E699-L703 PolarHBondContact O-N 3.43Å
700L93.1Very high90.7Very high72 Ų7284.9 Ų84.938%0.37745%0.451SS..Hα-helixtrans-58.7-45.4176-17966.2000111.9M680 A696 R697 S702 L703 A704M680-L700 HydrophobicContact SD-CD2 4.12Å; A696-L700 WeakPolarHBondContact O-CB 3.32Å; A696-L700 PolarHBondContact O-N 3.16Å; R697-L700 PolarHBondContact O-N 2.95Å; L700-S702 VanDerWaalsContact C-N 3.32Å; L700-S702 PolarHBondContact O-N 3.02Å; L700-L703 PolarHBondContact O-N 3.36Å; L700-A704 WeakPolarHBondContact O-CB 3.46Å; L700-A704 PolarHBondContact O-N 3.01Å
701L91.2Very high90.4Very high40 Ų4081.9 Ų81.921%0.20944%0.44CS..Hα-helixtrans-63.3-37.8176.6-70.4171000112R697 N698 E699 A704 A705 V714 P716R697-L701 HydrophobicContact CG-CD1 4.2Å; R697-L701 WeakPolarHBondContact O-CG 3.49Å; R697-L701 PolarHBondContact O-N 3.37Å; N698-L701 PolarHBondContact O-N 3.03Å; E699-L701 PolarHBondContact O-N 3.28Å; L701-A704 PolarHBondContact O-N 3.35Å; L701-A705 WeakPolarHBondContact O-CB 3.36Å; L701-A705 PolarHBondContact O-N 3.46Å; L701-V714 HydrophobicContact CD2-CG1 3.83Å; L701-P716 HydrophobicContact CD1-CB 4.28Å; L701-P716 HydrophobicContact CD1-CG 4.02Å
702S92.2Very high89.9Confident63 Ų6380.9 Ų80.944%0.44144%0.444SS..Hα-helixtrans-65.6-42.3175.4-1720000112N698 E699 L700 A705 Q706N698-S702 WeakPolarHBondContact O-CB 3.28Å; N698-S702 PolarHBondContact O-N 3.26Å; E699-S702 WeakPolarHBondContact O-CB 3.28Å; E699-S702 PolarHBondContact O-N 3.24Å; E699-S702 VanDerWaalsContact O-N 3.15Å; L700-S702 VanDerWaalsContact C-N 3.32Å; L700-S702 PolarHBondContact O-N 3.02Å; S702-A705 PolarHBondContact O-N 2.91Å; S702-Q706 WeakPolarHBondContact O-CG 3.3Å; S702-Q706 PolarHBondContact O-N 3.25Å; S702-Q706 PolarHBondContact O-NE2 2.75Å
703L92.7Very high89.2Confident90 Ų9077.3 Ų77.347%0.47144%0.44SS..Hα-helixtrans-65.7-40175.7-69.1170.7000111.7E699 L700 Q706 S707E699-L703 HydrophobicContact CG-CD1 4.29Å; E699-L703 WeakPolarHBondContact O-CG 3.4Å; E699-L703 PolarHBondContact O-N 3.43Å; L700-L703 PolarHBondContact O-N 3.36Å; L703-Q706 PolarHBondContact O-N 3.13Å; L703-S707 PolarHBondContact O-OG 2.99Å
704A90.8Very high88.8Confident17 Ų1777 Ų7714%0.1444%0.441CS..Hα-helixtrans-62.5-44.2175.200000111.6L700 L701 Q706 S707 V711 V714L700-A704 WeakPolarHBondContact O-CB 3.46Å; L700-A704 PolarHBondContact O-N 3.01Å; L701-A704 PolarHBondContact O-N 3.35Å; A704-Q706 PolarHBondContact O-N 3.32Å; A704-S707 PolarHBondContact O-N 2.86Å; A704-V711 HydrophobicContact CB-CG2 3.94Å; A704-V711 WeakPolarHBondContact O-CG2 3.19Å; A704-V714 HydrophobicContact CB-CB 4.06Å; A704-V714 HydrophobicContact CB-CG1 4.11Å; A704-V714 HydrophobicContact CB-CG2 3.97Å
705A87.8Confident88.3Confident80 Ų8081.7 Ų81.766%0.66146%0.456SS*.Hα-helixtrans-63.2-23.8177.400000113.5L701 S702 S707L701-A705 WeakPolarHBondContact O-CB 3.36Å; L701-A705 PolarHBondContact O-N 3.46Å; S702-A705 PolarHBondContact O-N 2.91Å; A705-S707 VanDerWaalsContact C-N 3.31Å
706Q90.6Very high88Confident135 Ų13578.9 Ų78.963%0.63145%0.446SS*.THydrogen-bonded Turntrans-79.8-11.7175.5-69.2169.144.300113.4S702 L703 A704 P708S702-Q706 WeakPolarHBondContact O-CG 3.3Å; S702-Q706 PolarHBondContact O-N 3.25Å; S702-Q706 PolarHBondContact O-NE2 2.75Å; L703-Q706 PolarHBondContact O-N 3.13Å; A704-Q706 PolarHBondContact O-N 3.32Å; Q706-P708 VanDerWaalsContact O-CD 3.24Å; Q706-P708 WeakPolarHBondContact O-CD 3.45Å
707S89.9Confident87.5Confident47 Ų4781.8 Ų81.833%0.32946%0.457SS..  trans-119.556.1-175.4-54.60000112.8L703 A704 A705 D709 Q710 V711L703-S707 PolarHBondContact O-OG 2.99Å; A704-S707 PolarHBondContact O-N 2.86Å; A705-S707 VanDerWaalsContact C-N 3.31Å; S707-D709 PolarHBondContact O-N 2.68Å; S707-D709 VanDerWaalsContact O-N 3.09Å; S707-Q710 PolarHBondContact O-N 3.2Å; S707-V711 PolarHBondContact O-N 3.17Å; S707-V711 VanDerWaalsContact O-N 3.07Å
708P79.6Confident86.8Confident81 Ų8181.7 Ų81.753%0.52647%0.469SS..THydrogen-bonded Turntrans-63.2-19.8-175.728.4-35.8000113.4Q706 Q710Q706-P708 VanDerWaalsContact O-CD 3.24Å; Q706-P708 WeakPolarHBondContact O-CD 3.45Å; P708-Q710 VanDerWaalsContact C-N 3.26Å; P708-Q710 PolarHBondContact O-N 3.14Å
709D81.1Confident86.1Confident162 Ų16281.2 Ų81.287%0.86647%0.466SS*.THydrogen-bonded Turntrans-74.5-18.6178.3-48.8-24.6000112.5S707S707-D709 PolarHBondContact O-N 2.68Å; S707-D709 VanDerWaalsContact O-N 3.09Å
710Q83.3Confident85.5Confident168 Ų16879.5 Ų79.579%0.78546%0.458SS*.THydrogen-bonded Turntrans-113.1-38.1-176.1-63.6-1757.700112.7S707 P708S707-Q710 PolarHBondContact O-N 3.2Å; P708-Q710 VanDerWaalsContact C-N 3.26Å; P708-Q710 PolarHBondContact O-N 3.14Å
711V84.4Confident85Confident44 Ų4480.5 Ų80.527%0.26746%0.464SS..  trans-135.2137.4-177.3-65.90000110.8F678 A704 S707 V714F678-V711 HydrophobicContact CE1-CG1 4.32Å; A704-V711 HydrophobicContact CB-CG2 3.94Å; A704-V711 WeakPolarHBondContact O-CG2 3.19Å; S707-V711 PolarHBondContact O-N 3.17Å; S707-V711 VanDerWaalsContact O-N 3.07Å; V711-V714 HydrophobicContact CB-CG2 3.73Å; V711-V714 HydrophobicContact CG2-CG2 3.9Å
712T80.7Confident84.5Confident124 Ų12481.9 Ų81.976%0.76147%0.474SS*.  trans-133.4138.9-177.7-50.50000109.4V714T712-V714 VanDerWaalsContact C-N 3.3Å; T712-V714 PolarHBondContact O-N 3.44Å
713G78.6Confident84Confident40 Ų4084.2 Ų84.241%0.41249%0.488SS..SBendtrans70.421.6174.300000115.2R715G713-R715 PolarHBondContact O-N 2.97Å
714V86Confident83.5Confident49 Ų4987 Ų8730%0.29750%0.5SS..  trans-63.7128177.1-169.80000109.7F678 L701 A704 V711 T712F678-V714 HydrophobicContact CE1-CG2 4.21Å; F678-V714 HydrophobicContact CZ-CG1 4.15Å; F678-V714 HydrophobicContact CZ-CG2 3.89Å; L701-V714 HydrophobicContact CD2-CG1 3.83Å; A704-V714 HydrophobicContact CB-CB 4.06Å; A704-V714 HydrophobicContact CB-CG1 4.11Å; A704-V714 HydrophobicContact CB-CG2 3.97Å; V711-V714 HydrophobicContact CB-CG2 3.73Å; V711-V714 HydrophobicContact CG2-CG2 3.9Å; T712-V714 VanDerWaalsContact C-N 3.3Å; T712-V714 PolarHBondContact O-N 3.44Å
715R83.4Confident83.3Confident118 Ų11895 Ų9545%0.44553%0.532SS..  trans-146.7151.8-177.464.3-178.3-179.1-86.91.1111.1G713G713-R715 PolarHBondContact O-N 2.97Å
716P87.7Confident83.2Confident43 Ų4399.2 Ų99.228%0.27954%0.535SS..  trans-71.8147.4168.231.6-32.4000110.3L701L701-P716 HydrophobicContact CD1-CB 4.28Å; L701-P716 HydrophobicContact CD1-CG 4.02Å
717N82.9Confident83.1Confident103 Ų10397.6 Ų97.655%0.55154%0.535SS*.SBendtrans-84.4-31.8170.3-168.933.8000112S616S616-N717 WeakPolarHBondContact CB-O 3.37Å
718G80.4Confident83Confident42 Ų42101.6 Ų101.643%0.43355%0.552SS.*SBendtrans-72.4167.8179.800000114.2
719L77.6Confident83.3Confident58 Ų58103.8 Ų103.830%0.30456%0.564SS.*PPolyproline II helixtrans-88.2150.8173.4-62.4169.4000110.9N622N622-L719 VanDerWaalsContact ND2-CD2 3.32Å; N622-L719 WeakPolarHBondContact ND2-CD2 3.43Å; N622-L719 WeakPolarHBondContact OD1-CD2 3.4Å
720E80.4Confident83.4Confident93 Ų93102.7 Ų102.744%0.43556%0.558SS.*PPolyproline II helixtrans-69.8151.9169.5-66.5-60.1156.100111.1R697 T722R697-E720 IonicContact CZ-OE1 3.93Å; R697-E720 IonicContact CZ-OE2 2.97Å; R697-E720 IonicContact NH1-OE1 3.38Å; R697-E720 IonicContact NH1-OE2 3.16Å; R697-E720 IonicContact NH2-OE1 2.76Å; R697-E720 PolarHBondContact NH2-OE1 2.86Å; R697-E720 IonicContact NH2-OE2 3.98Å; R697-E720 PolarHBondContact NH2-OE2 2.92Å; E720-T722 PolarHBondContact O-N 2.88Å
721D83.3Confident83Confident93 Ų9399.7 Ų99.750%0.49756%0.562SS.*PPolyproline II helixtrans-53.4139.2176.9-72.9-7.3000111.3S578 H690S578-D721 PolarHBondContact OG-O 2.89Å; H690-D721 IonicContact CD2-OD1 3.85Å; H690-D721 IonicContact CD2-OD2 3.79Å; H690-D721 IonicContact CE1-OD1 3.62Å; H690-D721 IonicContact NE2-OD1 2.78Å; H690-D721 PolarHBondContact NE2-OD1 2.88Å; H690-D721 IonicContact NE2-OD2 3.38Å; H690-D721 PolarHBondContact NE2-OD2 3.44Å
722T80.9Confident81.1Confident69 Ų69104.5 Ų104.542%0.42361%0.607SS.*  trans-106.9141.5-177.2770000112.8S578 E720 M724S578-T722 WeakPolarHBondContact OG-CA 3.1Å; S578-T722 WeakPolarHBondContact OG-CB 3.45Å; S578-T722 VanDerWaalsContact OG-CG2 3.24Å; S578-T722 WeakPolarHBondContact OG-CG2 3.35Å; E720-T722 PolarHBondContact O-N 2.88Å; T722-M724 PolarHBondContact O-N 3.49Å; T722-M724 VanDerWaalsContact O-N 3.1Å
723P82.8Confident81.1Confident113 Ų113103.6 Ų103.673%0.73460%0.599SS**  trans-60.5116.2171.5-20.231.4000109.8S578S578-P723 WeakPolarHBondContact OG-CD 3.46Å
724M81.4Confident81.2Confident148 Ų148106.9 Ų106.973%0.72961%0.609SS**  trans-104.6145178-65-170-73.100111.2T722T722-M724 PolarHBondContact O-N 3.49Å; T722-M724 VanDerWaalsContact O-N 3.1Å
725F86.6Confident81Confident186 Ų186110.1 Ų110.182%0.81663%0.626SS**  trans-10299173.4-175.7-109.3000110.3V727F725-V727 HydrophobicContact CD1-CG2 3.73Å; F725-V727 HydrophobicContact CE1-CG2 3.47Å; F725-V727 VanDerWaalsContact CE1-CG2 3.47Å; F725-V727 HydrophobicContact CZ-CG2 4.44Å
726K86.6Confident80.8Confident167 Ų167109.6 Ų109.673%0.72664%0.637SS**  trans-83.2115.3179.3-173.3171.1-175.5168.60111N728K726-N728 VanDerWaalsContact CE-OD1 3.32Å; K726-N728 WeakPolarHBondContact CE-OD1 3.28Å
727V87.9Confident80.4Confident101 Ų101113.8 Ų113.861%0.61266%0.659SS**  trans-91.4106.7172.9-177.40000109.2F725 V729F725-V727 HydrophobicContact CD1-CG2 3.73Å; F725-V727 HydrophobicContact CE1-CG2 3.47Å; F725-V727 VanDerWaalsContact CE1-CG2 3.47Å; F725-V727 HydrophobicContact CZ-CG2 4.44Å; V727-V729 HydrophobicContact CG1-CG2 4.21Å
728N87.1Confident80.2Confident131 Ų131114.5 Ų114.570%0.70167%0.666SS**  trans-89.1110171.5-74.4-28.5000109.5K726K726-N728 VanDerWaalsContact CE-OD1 3.32Å; K726-N728 WeakPolarHBondContact CE-OD1 3.28Å
729V87.3Confident80.2Confident128 Ų128119.7 Ų119.778%0.77668%0.683SS**  trans-87117.3171.9-175.20000108.1V727 A731V727-V729 HydrophobicContact CG1-CG2 4.21Å; V729-A731 PolarHBondContact O-N 2.99Å
730N82.3Confident80.4Confident139 Ų139124.5 Ų124.574%0.74371%0.712SS**  trans-76.8118.1174.3-169.4-1000108.8A732N730-A732 PolarHBondContact O-N 3.29Å
731A73.8Confident80.4Confident105 Ų105127.1 Ų127.187%0.86874%0.735SS**  trans-78.627.8-17900000113.4V729V729-A731 PolarHBondContact O-N 2.99Å
732A44.9Very low80.1Confident145 Ų145130.2 Ų130.2100%1.19876%0.757SS**  trans-73.70-174.500000113.4N730N730-A732 PolarHBondContact O-N 3.29Å

Retrieved 732 of 732 residues in 206.1 ms (Link to these results)

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