A0A087YIS7_POEFO Loading...

Aromatic-L-amino-acid decarboxylase

Catalyzes the decarboxylation of L-3,4-dihydroxyphenylalanine (DOPA) to dopamine and L-5-hydroxytryptophan to serotonin.

AlphaFold DB , UniProt , Accession A0A087YIS7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 481 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
1M94.9Very high97.8Very high140 Ų14094.4 Ų94.469%0.6948%0.476SS*.  0122.10-171.1178.7-63.400110.5E5 F6 R9 Y53M1-E5 WeakPolarHBondContact CA-OE2 3.12Å; M1-E5 HydrophobicContact CG-CB 3.87Å; M1-E5 HydrophobicContact CG-CG 3.83Å; M1-F6 HydrophobicContact CG-CB 4.34Å; M1-F6 HydrophobicContact SD-CB 4.1Å; M1-F6 HydrophobicContact SD-CD2 4.42Å; M1-R9 HydrophobicContact CE-CB 4.22Å; M1-R9 HydrophobicContact CE-CG 3.82Å; M1-Y53 HydrophobicContact CE-CD2 4.24Å
2D96.9Very high97.9Very high104 Ų10492.2 Ų92.256%0.55646%0.463SS*.  trans-100.7-172.9172.572.312.6000111.7A4 E5 F6D2-A4 PolarHBondContact O-N 3.37Å; D2-A4 PolarHBondContact OD1-N 3.32Å; D2-E5 WeakPolarHBondContact OD1-CB 3.38Å; D2-E5 PolarHBondContact OD1-N 2.91Å; D2-F6 VanDerWaalsContact O-CB 3.26Å; D2-F6 WeakPolarHBondContact O-CB 3.43Å; D2-F6 PolarHBondContact O-N 3.36Å
3A98.1Very high97.9Very high70 Ų7090.3 Ų90.358%0.57945%0.453SS*.Hα-helixtrans-67.5-32.4-178.300000114.1R7A3-R7 VanDerWaalsContact O-CG 3.32Å; A3-R7 WeakPolarHBondContact O-CG 3.41Å; A3-R7 PolarHBondContact O-N 2.86Å; A3-R7 VanDerWaalsContact O-N 3.1Å
4A98.4Very high98Very high69 Ų6989.9 Ų89.957%0.5746%0.458SS*.Hα-helixtrans-72.6-44.5179.400000110.1D2 R7 R8D2-A4 PolarHBondContact O-N 3.37Å; D2-A4 PolarHBondContact OD1-N 3.32Å; A4-R7 PolarHBondContact O-N 2.87Å; A4-R8 PolarHBondContact O-N 3.43Å
5E97.9Very high98Very high56 Ų5690.3 Ų90.326%0.26246%0.461SS..Hα-helixtrans-62.8-45.4173.3-171.5176-162.400111.2M1 D2 R7 R8 R9M1-E5 WeakPolarHBondContact CA-OE2 3.12Å; M1-E5 HydrophobicContact CG-CB 3.87Å; M1-E5 HydrophobicContact CG-CG 3.83Å; D2-E5 WeakPolarHBondContact OD1-CB 3.38Å; D2-E5 PolarHBondContact OD1-N 2.91Å; E5-R7 VanDerWaalsContact C-N 3.3Å; E5-R7 PolarHBondContact O-N 3.23Å; E5-R8 WeakPolarHBondContact O-CB 3.41Å; E5-R8 PolarHBondContact O-N 3.5Å; E5-R9 HydrophobicContact CG-CG 3.96Å; E5-R9 WeakPolarHBondContact O-CG 3.38Å; E5-R9 PolarHBondContact O-N 2.87Å; E5-R9 IonicContact OE1-NE 3.63Å; E5-R9 IonicContact OE1-NH2 3.1Å
6F98.1Very high98Very high123 Ų12387.8 Ų87.854%0.53944%0.444SS..Hα-helixtrans-55-43175.2171.5-104.1000112.5M1 D2 R8 G10M1-F6 HydrophobicContact CG-CB 4.34Å; M1-F6 HydrophobicContact SD-CB 4.1Å; M1-F6 HydrophobicContact SD-CD2 4.42Å; D2-F6 VanDerWaalsContact O-CB 3.26Å; D2-F6 WeakPolarHBondContact O-CB 3.43Å; D2-F6 PolarHBondContact O-N 3.36Å; F6-R8 VanDerWaalsContact C-N 3.31Å; F6-R8 PolarHBondContact O-N 3.01Å; F6-G10 WeakPolarHBondContact O-CA 3.15Å; F6-G10 PolarHBondContact O-N 2.97Å
7R98.6Very high98.1Very high178 Ų17885.1 Ų85.167%0.67243%0.434SS*.Hα-helixtrans-64.3-35.9177-75.1175.3-170.6-76.30.3112.7A3 A4 E5 K11A3-R7 VanDerWaalsContact O-CG 3.32Å; A3-R7 WeakPolarHBondContact O-CG 3.41Å; A3-R7 PolarHBondContact O-N 2.86Å; A3-R7 VanDerWaalsContact O-N 3.1Å; A4-R7 PolarHBondContact O-N 2.87Å; E5-R7 VanDerWaalsContact C-N 3.3Å; E5-R7 PolarHBondContact O-N 3.23Å; R7-K11 WeakPolarHBondContact O-CD 3.29Å; R7-K11 VanDerWaalsContact O-CG 3.26Å; R7-K11 WeakPolarHBondContact O-CG 3.37Å; R7-K11 PolarHBondContact O-N 3.04Å
8R98.5Very high98.1Very high116 Ų11681.9 Ų81.944%0.43842%0.422SS..Hα-helixtrans-70.4-55.4176.7-179.8172.662.6110.7-4.4110.4A4 E5 F6 G10 K11 E12 E54A4-R8 PolarHBondContact O-N 3.43Å; E5-R8 WeakPolarHBondContact O-CB 3.41Å; E5-R8 PolarHBondContact O-N 3.5Å; F6-R8 VanDerWaalsContact C-N 3.31Å; F6-R8 PolarHBondContact O-N 3.01Å; R8-G10 VanDerWaalsContact C-N 3.31Å; R8-G10 PolarHBondContact O-N 2.68Å; R8-K11 WeakPolarHBondContact O-CB 3.42Å; R8-K11 PolarHBondContact O-N 2.91Å; R8-K11 VanDerWaalsContact O-N 3.11Å; R8-E12 WeakPolarHBondContact CG-OE1 3.44Å; R8-E12 IonicContact NH1-OE1 3.67Å; R8-E12 PolarHBondContact O-N 3.35Å; R8-E12 VanDerWaalsContact O-N 3.09Å; R8-E54 IonicContact NH1-OE1 3.07Å
9R98.3Very high98.1Very high13 Ų1382.4 Ų82.45%0.04943%0.425CS..Hα-helixtrans-64.2-34.9-179.2-56.3-40.6-174.2165.97.8113.2M1 E5 K11 E12 M13 Y53 E54M1-R9 HydrophobicContact CE-CB 4.22Å; M1-R9 HydrophobicContact CE-CG 3.82Å; E5-R9 HydrophobicContact CG-CG 3.96Å; E5-R9 WeakPolarHBondContact O-CG 3.38Å; E5-R9 PolarHBondContact O-N 2.87Å; E5-R9 IonicContact OE1-NE 3.63Å; E5-R9 IonicContact OE1-NH2 3.1Å; R9-K11 VanDerWaalsContact C-N 3.3Å; R9-K11 PolarHBondContact O-N 3.05Å; R9-E12 WeakPolarHBondContact CD-OE2 3.34Å; R9-E12 IonicContact CZ-OE2 3.83Å; R9-E12 IonicContact NE-OE2 3.46Å; R9-E12 IonicContact NH1-OE1 3.98Å; R9-E12 PolarHBondContact NH1-OE1 3.37Å; R9-E12 IonicContact NH1-OE2 3.76Å; R9-E12 PolarHBondContact NH1-OE2 2.84Å; R9-E12 PolarHBondContact O-N 3.1Å; R9-M13 WeakPolarHBondContact O-CB 3.03Å; R9-M13 PolarHBondContact O-N 3.45Å; R9-Y53 HydrophobicContact CB-CD2 4.31Å; R9-Y53 HydrophobicContact CB-CE1 4.26Å; R9-Y53 HydrophobicContact CB-CE2 4.05Å; R9-Y53 VanDerWaalsContact CD-CD1 3.44Å; R9-Y53 HydrophobicContact CG-CD1 4.06Å; R9-Y53 HydrophobicContact CG-CD2 4.11Å; R9-Y53 HydrophobicContact CG-CE1 4.26Å; R9-Y53 HydrophobicContact CG-CE2 4.34Å; R9-Y53 HydrophobicContact CG-CG 3.96Å; R9-E54 IonicContact CZ-OE1 2.64Å; R9-E54 IonicContact CZ-OE2 2.88Å; R9-E54 IonicContact NH1-OE1 3.66Å; R9-E54 PolarHBondContact NH1-OE1 3.27Å; R9-E54 IonicContact NH1-OE2 3.73Å; R9-E54 IonicContact NH2-OE1 2.72Å; R9-E54 PolarHBondContact NH2-OE1 2.81Å; R9-E54 IonicContact NH2-OE2 3.88Å; R9-E54 PolarHBondContact NH2-OE2 3.28Å
10G98.1Very high98.1Very high25 Ų2580 Ų8026%0.25841%0.411SS..Hα-helixtrans-61.9-38.2174.800000112.3F6 R8 V14F6-G10 WeakPolarHBondContact O-CA 3.15Å; F6-G10 PolarHBondContact O-N 2.97Å; R8-G10 VanDerWaalsContact C-N 3.31Å; R8-G10 PolarHBondContact O-N 2.68Å; G10-V14 VanDerWaalsContact O-CG2 3.29Å; G10-V14 WeakPolarHBondContact O-CG2 3.48Å; G10-V14 PolarHBondContact O-N 2.96Å
11K98.6Very high98.1Very high144 Ų14477.7 Ų77.763%0.62640%0.399SS*.Hα-helixtrans-69.3-46.7173.6-67.7171.2-168.9-177.10111.3R7 R8 R9 M13 V14 D15R7-K11 WeakPolarHBondContact O-CD 3.29Å; R7-K11 VanDerWaalsContact O-CG 3.26Å; R7-K11 WeakPolarHBondContact O-CG 3.37Å; R7-K11 PolarHBondContact O-N 3.04Å; R8-K11 WeakPolarHBondContact O-CB 3.42Å; R8-K11 PolarHBondContact O-N 2.91Å; R8-K11 VanDerWaalsContact O-N 3.11Å; R9-K11 VanDerWaalsContact C-N 3.3Å; R9-K11 PolarHBondContact O-N 3.05Å; K11-M13 PolarHBondContact O-N 3.22Å; K11-V14 WeakPolarHBondContact O-CB 3.43Å; K11-V14 PolarHBondContact O-N 3.36Å; K11-D15 PolarHBondContact O-N 3.17Å
12E98.3Very high98.2Very high68 Ų6877.8 Ų77.832%0.31840%0.398SS..Hα-helixtrans-54.5-41.9176-68.3168.3-171.400111.4R8 R9 Y16 Y53R8-E12 WeakPolarHBondContact CG-OE1 3.44Å; R8-E12 IonicContact NH1-OE1 3.67Å; R8-E12 PolarHBondContact O-N 3.35Å; R8-E12 VanDerWaalsContact O-N 3.09Å; R9-E12 WeakPolarHBondContact CD-OE2 3.34Å; R9-E12 IonicContact CZ-OE2 3.83Å; R9-E12 IonicContact NE-OE2 3.46Å; R9-E12 IonicContact NH1-OE1 3.98Å; R9-E12 PolarHBondContact NH1-OE1 3.37Å; R9-E12 IonicContact NH1-OE2 3.76Å; R9-E12 PolarHBondContact NH1-OE2 2.84Å; R9-E12 PolarHBondContact O-N 3.1Å; E12-Y16 WeakPolarHBondContact O-CB 3.04Å; E12-Y16 PolarHBondContact O-N 3.32Å; E12-Y53 WeakPolarHBondContact OE2-CE1 3.48Å
13M98.5Very high98.2Very high68 Ų6876 Ų7634%0.33539%0.389SS..Hα-helixtrans-70.2-36.7176.4-177.757.563.300113.1R9 K11 Y16 V17 M57R9-M13 WeakPolarHBondContact O-CB 3.03Å; R9-M13 PolarHBondContact O-N 3.45Å; K11-M13 PolarHBondContact O-N 3.22Å; M13-Y16 PolarHBondContact O-N 3.46Å; M13-Y16 HydrophobicContact SD-CD1 4Å; M13-V17 HydrophobicContact CG-CG2 4.39Å; M13-V17 WeakPolarHBondContact O-CB 3.38Å; M13-V17 VanDerWaalsContact O-CG2 3.28Å; M13-V17 WeakPolarHBondContact O-CG2 3.26Å; M13-V17 PolarHBondContact O-N 2.92Å; M13-V17 HydrophobicContact SD-CG2 3.93Å; M13-M57 HydrophobicContact CE-CE 3.77Å; M13-M57 HydrophobicContact CE-SD 3.47Å; M13-M57 WeakPolarHBondContact CE-SD 3.27Å
14V98.6Very high98.2Very high85 Ų8572.9 Ų72.952%0.51536%0.362SS..Hα-helixtrans-62.5-46.2174.9165.40000110.4G10 K11 V17 A18G10-V14 VanDerWaalsContact O-CG2 3.29Å; G10-V14 WeakPolarHBondContact O-CG2 3.48Å; G10-V14 PolarHBondContact O-N 2.96Å; K11-V14 WeakPolarHBondContact O-CB 3.43Å; K11-V14 PolarHBondContact O-N 3.36Å; V14-V17 PolarHBondContact O-N 2.83Å; V14-A18 WeakPolarHBondContact O-CB 3.11Å; V14-A18 PolarHBondContact O-N 2.74Å
15D98.6Very high98Very high96 Ų9672.7 Ų72.751%0.51335%0.349SS..Hα-helixtrans-62.5-47.3177.4-63.6-23.3000110.1K11 V17 A18 D19K11-D15 PolarHBondContact O-N 3.17Å; D15-V17 PolarHBondContact O-N 3.03Å; D15-A18 PolarHBondContact O-N 2.79Å; D15-D19 WeakPolarHBondContact O-CB 3.43Å; D15-D19 PolarHBondContact O-N 3.44Å
16Y98.5Very high97.9Very high49 Ų4977.3 Ų77.319%0.19237%0.371CS..Hα-helixtrans-56-46.8175.8178-97.8000113.5E12 M13 D19 Y20 M57 E61 M65E12-Y16 WeakPolarHBondContact O-CB 3.04Å; E12-Y16 PolarHBondContact O-N 3.32Å; M13-Y16 PolarHBondContact O-N 3.46Å; M13-Y16 HydrophobicContact SD-CD1 4Å; Y16-D19 PolarHBondContact O-N 2.94Å; Y16-Y20 WeakPolarHBondContact O-CB 3.4Å; Y16-Y20 PolarHBondContact O-N 3.16Å; Y16-M57 HydrophobicContact CD1-CE 4.19Å; Y16-M57 HydrophobicContact CD2-CE 4.25Å; Y16-M57 HydrophobicContact CE1-CE 4.31Å; Y16-M57 HydrophobicContact CE2-CE 4.36Å; Y16-M57 HydrophobicContact CG-CE 4.16Å; Y16-E61 HydrophobicContact CE2-CG 4.34Å; Y16-E61 WeakPolarHBondContact CE2-OE1 3.21Å; Y16-E61 VanDerWaalsContact CZ-OE1 3.26Å; Y16-E61 PolarHBondContact OH-OE1 3.28Å; Y16-M65 HydrophobicContact CE1-CE 4.06Å; Y16-M65 WeakPolarHBondContact OH-CE 3.34Å
17V98.4Very high97.7Very high43 Ų4374.4 Ų74.426%0.26136%0.356SS..Hα-helixtrans-66.8-39.1180168.40000111.3M13 V14 D15 L21 M89M13-V17 HydrophobicContact CG-CG2 4.39Å; M13-V17 WeakPolarHBondContact O-CB 3.38Å; M13-V17 VanDerWaalsContact O-CG2 3.28Å; M13-V17 WeakPolarHBondContact O-CG2 3.26Å; M13-V17 PolarHBondContact O-N 2.92Å; M13-V17 HydrophobicContact SD-CG2 3.93Å; V14-V17 PolarHBondContact O-N 2.83Å; D15-V17 PolarHBondContact O-N 3.03Å; V17-L21 HydrophobicContact CG1-CD1 4.1Å; V17-L21 WeakPolarHBondContact O-CG 3.29Å; V17-L21 PolarHBondContact O-N 2.94Å; V17-L21 VanDerWaalsContact O-N 3.12Å; V17-M89 HydrophobicContact CG1-SD 3.98Å
18A98.4Very high97.5Very high27 Ų2769.8 Ų69.822%0.22335%0.349CS..Hα-helixtrans-61.9-53.1175.400000110.5V14 D15 Y20 L21 E22V14-A18 WeakPolarHBondContact O-CB 3.11Å; V14-A18 PolarHBondContact O-N 2.74Å; D15-A18 PolarHBondContact O-N 2.79Å; A18-Y20 VanDerWaalsContact C-N 3.34Å; A18-Y20 PolarHBondContact O-N 2.93Å; A18-L21 PolarHBondContact O-N 2.69Å; A18-E22 WeakPolarHBondContact O-CG 3.47Å; A18-E22 PolarHBondContact O-N 3.4Å
19D98.4Very high97.4Very high91 Ų9164.3 Ų64.349%0.48733%0.329SS..Hα-helixtrans-60.3-42.3179.7-71.1-15.3000111.9D15 Y16 L21 E22 N23D15-D19 WeakPolarHBondContact O-CB 3.43Å; D15-D19 PolarHBondContact O-N 3.44Å; Y16-D19 PolarHBondContact O-N 2.94Å; D19-L21 PolarHBondContact O-N 3.19Å; D19-E22 PolarHBondContact O-N 2.98Å; D19-N23 VanDerWaalsContact O-CB 3.29Å; D19-N23 WeakPolarHBondContact O-CB 3.36Å; D19-N23 PolarHBondContact O-N 2.86Å; D19-N23 PolarHBondContact O-ND2 3.33Å
20Y98.4Very high97.2Very high35 Ų3568 Ų6814%0.13734%0.343CS..Hα-helixtrans-59.2-46.3176.4165.1-108.9000111.9Y16 A18 I24 M65 H70Y16-Y20 WeakPolarHBondContact O-CB 3.4Å; Y16-Y20 PolarHBondContact O-N 3.16Å; A18-Y20 VanDerWaalsContact C-N 3.34Å; A18-Y20 PolarHBondContact O-N 2.93Å; Y20-I24 HydrophobicContact CE1-CD1 4.06Å; Y20-I24 HydrophobicContact CE2-CD1 4.22Å; Y20-I24 HydrophobicContact CE2-CG1 4.25Å; Y20-I24 WeakPolarHBondContact O-CA 3.47Å; Y20-I24 VanDerWaalsContact O-CB 3.29Å; Y20-I24 WeakPolarHBondContact O-CB 3.45Å; Y20-I24 PolarHBondContact O-N 3.34Å; Y20-M65 HydrophobicContact CD2-CE 4.24Å; Y20-M65 HydrophobicContact CE2-CE 4.19Å; Y20-M65 HydrophobicContact CE2-SD 4.16Å; Y20-H70 AromaticContact CE2-CE1 3.73Å; Y20-H70 AromaticContact CE2-ND1 3.57Å; Y20-H70 AromaticContact CZ-ND1 3.62Å; Y20-H70 PolarHBondContact OH-ND1 3.28Å
21L97.7Very high96.9Very high31 Ų3167.8 Ų67.816%0.16234%0.338CS..Hα-helixtrans-73.9-34.9-178.2-70.3174.5000112.8V17 A18 D19 I24 H72 Y86 M89V17-L21 HydrophobicContact CG1-CD1 4.1Å; V17-L21 WeakPolarHBondContact O-CG 3.29Å; V17-L21 PolarHBondContact O-N 2.94Å; V17-L21 VanDerWaalsContact O-N 3.12Å; A18-L21 PolarHBondContact O-N 2.69Å; D19-L21 PolarHBondContact O-N 3.19Å; L21-I24 HydrophobicContact CD2-CD1 4.49Å; L21-I24 WeakPolarHBondContact O-CG2 3.31Å; L21-H72 HydrophobicContact CD2-CB 4.17Å; L21-Y86 HydrophobicContact CD1-CD1 4.41Å; L21-Y86 HydrophobicContact CD1-CE1 3.67Å; L21-M89 HydrophobicContact CD1-CE 3.68Å; L21-M89 HydrophobicContact CD1-SD 4.09Å
22E96.9Very high96.6Very high143 Ų14365.7 Ų65.767%0.66833%0.333SS*.Hα-helixtrans-70.7-35.7176.5-71.7-171.9175.800111.9A18 D19A18-E22 WeakPolarHBondContact O-CG 3.47Å; A18-E22 PolarHBondContact O-N 3.4Å; D19-E22 PolarHBondContact O-N 2.98Å
23N97.3Very high96.4Very high67 Ų6765.7 Ų65.736%0.35834%0.335SS..SBendtrans-100.710.2-178.6-61.1-72.8000113.8D19 E25 Q26D19-N23 VanDerWaalsContact O-CB 3.29Å; D19-N23 WeakPolarHBondContact O-CB 3.36Å; D19-N23 PolarHBondContact O-N 2.86Å; D19-N23 PolarHBondContact O-ND2 3.33Å; N23-E25 PolarHBondContact O-N 3.24Å; N23-Q26 WeakPolarHBondContact O-CB 3.37Å; N23-Q26 PolarHBondContact O-N 3.36Å; N23-Q26 PolarHBondContact OD1-NE2 3.17Å; N23-Q26 VanDerWaalsContact OD1-NE2 3.1Å
24I97.3Very high96.1Very high4 Ų469.6 Ų69.62%0.02135%0.353CS..G310 helixtrans-59.4-25.9-174-161.1163.6000113.6Y20 L21 Q26 R27 H70 H72Y20-I24 HydrophobicContact CE1-CD1 4.06Å; Y20-I24 HydrophobicContact CE2-CD1 4.22Å; Y20-I24 HydrophobicContact CE2-CG1 4.25Å; Y20-I24 WeakPolarHBondContact O-CA 3.47Å; Y20-I24 VanDerWaalsContact O-CB 3.29Å; Y20-I24 WeakPolarHBondContact O-CB 3.45Å; Y20-I24 PolarHBondContact O-N 3.34Å; L21-I24 HydrophobicContact CD2-CD1 4.49Å; L21-I24 WeakPolarHBondContact O-CG2 3.31Å; I24-Q26 PolarHBondContact O-N 2.85Å; I24-R27 PolarHBondContact O-N 3.35Å; I24-R27 VanDerWaalsContact O-N 3.16Å; I24-H70 HydrophobicContact CD1-CB 4.08Å; I24-H70 HydrophobicContact CG1-CB 4.07Å; I24-H72 HydrophobicContact CD1-CB 3.79Å
25E95.6Very high96Very high64 Ų6471.5 Ų71.530%0.29937%0.367SS..G310 helixtrans-64.1-24.1177.1-170.2176.5173.400112.4N23 R27 P74 R459 H460N23-E25 PolarHBondContact O-N 3.24Å; E25-R27 VanDerWaalsContact C-N 3.26Å; E25-R27 PolarHBondContact O-N 2.87Å; E25-P74 HydrophobicContact CB-CG 4.22Å; E25-P74 HydrophobicContact CG-CG 4.12Å; E25-R459 IonicContact OE1-CZ 3.76Å; E25-R459 IonicContact OE1-NH1 3.79Å; E25-R459 PolarHBondContact OE1-NH1 2.96Å; E25-R459 IonicContact OE1-NH2 3.88Å; E25-R459 IonicContact OE2-CZ 3.02Å; E25-R459 IonicContact OE2-NH1 2.64Å; E25-R459 PolarHBondContact OE2-NH1 3.28Å; E25-R459 VanDerWaalsContact OE2-NH1 3.15Å; E25-R459 IonicContact OE2-NH2 2.78Å; E25-R459 PolarHBondContact OE2-NH2 3.09Å; E25-H460 IonicContact OE1-CD2 4Å; E25-H460 IonicContact OE1-NE2 3.58Å; E25-H460 IonicContact OE2-NE2 3.16Å; E25-H460 PolarHBondContact OE2-NE2 3.23Å
26Q95.1Very high95.9Very high153 Ų15369.7 Ų69.772%0.71537%0.37SS*.G310 helixtrans-77.5-12177.7-58.4171.814.800112.7N23 I24N23-Q26 WeakPolarHBondContact O-CB 3.37Å; N23-Q26 PolarHBondContact O-N 3.36Å; N23-Q26 PolarHBondContact OD1-NE2 3.17Å; N23-Q26 VanDerWaalsContact OD1-NE2 3.1Å; I24-Q26 PolarHBondContact O-N 2.85Å
27R94.7Very high95.8Very high63 Ų6370.4 Ų70.424%0.23837%0.373CS..SBendtrans-96.2142.9-179.2-60.5-172.7179.8-112.46.4111I24 E25 V29 E61 H70I24-R27 PolarHBondContact O-N 3.35Å; I24-R27 VanDerWaalsContact O-N 3.16Å; E25-R27 VanDerWaalsContact C-N 3.26Å; E25-R27 PolarHBondContact O-N 2.87Å; R27-V29 PolarHBondContact O-N 2.94Å; R27-E61 IonicContact CZ-OE1 3.85Å; R27-E61 IonicContact CZ-OE2 2.88Å; R27-E61 IonicContact NH1-OE1 3.95Å; R27-E61 IonicContact NH1-OE2 2.89Å; R27-E61 PolarHBondContact NH1-OE2 3.31Å; R27-E61 IonicContact NH2-OE1 2.84Å; R27-E61 PolarHBondContact NH2-OE1 3.48Å; R27-E61 IonicContact NH2-OE2 3.75Å; R27-E61 PolarHBondContact NH2-OE2 3.49Å; R27-H70 WeakPolarHBondContact CB-NE2 3.19Å; R27-H70 WeakPolarHBondContact CD-NE2 3.42Å
28P93.3Very high95.7Very high80 Ų8071 Ų7152%0.51937%0.374SS..  trans-63.8122.5176.327.1-33.6000109.9Y30 H70P28-Y30 PolarHBondContact O-N 3.28Å; P28-Y30 VanDerWaalsContact O-N 3.14Å; P28-H70 PolarHBondContact O-CD2 3.39Å; P28-H70 VanDerWaalsContact O-CD2 3.26Å
29V96Very high95.6Very high2 Ų278.2 Ų78.21%0.01240%0.396CS..SBendtrans-60.2-31.9-171.9590000113.5R27 H70 N75 F76 R432 H435R27-V29 PolarHBondContact O-N 2.94Å; V29-H70 PolarHBondContact O-N 3.08Å; V29-N75 HydrophobicContact CB-CB 4.33Å; V29-N75 HydrophobicContact CG1-CB 4.37Å; V29-F76 HydrophobicContact CG2-CB 3.64Å; V29-F76 HydrophobicContact CG2-CD2 3.96Å; V29-F76 HydrophobicContact CG2-CG 4.3Å; V29-R432 WeakPolarHBondContact CG1-O 3.44Å; V29-H435 HydrophobicContact CG1-CB 4.01Å; V29-H435 HydrophobicContact CG2-CB 3.97Å
30Y94.1Very high95.4Very high89 Ų8978.8 Ų78.835%0.34941%0.407SS..SBendtrans-125.3131.3179.6-172-106.8000110.3P28 T69 T429 H435P28-Y30 PolarHBondContact O-N 3.28Å; P28-Y30 VanDerWaalsContact O-N 3.14Å; Y30-T69 HydrophobicContact CD2-CG2 4.3Å; Y30-T429 HydrophobicContact CD1-CG2 4.39Å; Y30-T429 HydrophobicContact CE1-CG2 4.35Å; Y30-H435 AromaticContact CD2-CE1 3.5Å; Y30-H435 VanDerWaalsContact CD2-CE1 3.5Å; Y30-H435 WeakPolarHBondContact CD2-CE1 3.14Å; Y30-H435 AromaticContact CD2-ND1 3.62Å; Y30-H435 AromaticContact CD2-NE2 3.94Å; Y30-H435 AromaticContact CE2-CE1 3.72Å; Y30-H435 AromaticContact CG-ND1 3.8Å
31P93.5Very high95.3Very high22 Ų2280.4 Ų80.414%0.14342%0.418CS..  trans-73.9156.3-172.931-37.4000113.1L33 P66 T69P31-L33 HydrophobicContact CB-CD1 4.16Å; P31-L33 HydrophobicContact CB-CG 4.43Å; P31-P66 WeakPolarHBondContact CB-O 3.38Å; P31-T69 WeakPolarHBondContact CD-OG1 3.48Å
32D92Very high95.1Very high100 Ų10082.9 Ų82.954%0.53543%0.43SS..  trans-104.475.3175.8-175.626.4000111.8R432D32-R432 IonicContact OD1-CZ 2.91Å; D32-R432 VanDerWaalsContact OD1-CZ 3.32Å; D32-R432 IonicContact OD1-NE 3.05Å; D32-R432 IonicContact OD1-NH1 2.75Å; D32-R432 IonicContact OD1-NH2 2.99Å; D32-R432 PolarHBondContact OD1-NH2 3.47Å; D32-R432 IonicContact OD2-CZ 3.61Å; D32-R432 IonicContact OD2-NH1 3.32Å; D32-R432 PolarHBondContact OD2-NH1 2.93Å; D32-R432 IonicContact OD2-NH2 3.14Å; D32-R432 PolarHBondContact OD2-NH2 3.37Å
33L92.3Very high95.1Very high68 Ų6880.6 Ų80.636%0.35643%0.428SS..  trans-144149.9-171.9-63.7169.8000111.5P31 Y37 P66P31-L33 HydrophobicContact CB-CD1 4.16Å; P31-L33 HydrophobicContact CB-CG 4.43Å; L33-Y37 HydrophobicContact CB-CD1 3.97Å; L33-Y37 HydrophobicContact CB-CG 4.12Å; L33-Y37 HydrophobicContact CD1-CD1 3.74Å; L33-Y37 HydrophobicContact CD1-CD2 3.72Å; L33-Y37 HydrophobicContact CD1-CE1 3.61Å; L33-Y37 HydrophobicContact CD1-CE2 3.59Å; L33-Y37 HydrophobicContact CD1-CG 3.8Å; L33-Y37 HydrophobicContact CD2-CD2 3.92Å; L33-Y37 HydrophobicContact CD2-CG 3.97Å; L33-Y37 HydrophobicContact CG-CD1 4.34Å; L33-Y37 HydrophobicContact CG-CD2 4.36Å; L33-Y37 HydrophobicContact CG-CG 4.2Å; L33-P66 WeakPolarHBondContact CD1-O 3.23Å
34E93.6Very high95.1Very high150 Ų15082.7 Ų82.770%0.70144%0.443SS*.  trans-91.4151.1171.8-66.6-60.1150.500111.3G36 Y37E34-G36 PolarHBondContact O-N 2.96Å; E34-Y37 PolarHBondContact O-N 3.07Å
35P96.9Very high95.1Very high125 Ų12590.1 Ų90.181%0.81248%0.478SS*.THydrogen-bonded Turntrans-52.3129.7173.3-26.835.5000112.2
36G95.8Very high95.2Very high57 Ų5791.1 Ų91.159%0.58850%0.497SS*.THydrogen-bonded Turntrans95.7-4.6179.600000115.7E34 L38 R39E34-G36 PolarHBondContact O-N 2.96Å; G36-L38 PolarHBondContact O-N 3.3Å; G36-L38 VanDerWaalsContact O-N 3.1Å; G36-R39 PolarHBondContact O-N 3.45Å; G36-R39 VanDerWaalsContact O-N 3.13Å
37Y95.8Very high95.3Very high64 Ų6487.6 Ų87.625%0.25149%0.487SS..G310 helixtrans-47.5-44.9-177.983.1-81.6000113.4L33 E34 R39 S40 L41 G67L33-Y37 HydrophobicContact CB-CD1 3.97Å; L33-Y37 HydrophobicContact CB-CG 4.12Å; L33-Y37 HydrophobicContact CD1-CD1 3.74Å; L33-Y37 HydrophobicContact CD1-CD2 3.72Å; L33-Y37 HydrophobicContact CD1-CE1 3.61Å; L33-Y37 HydrophobicContact CD1-CE2 3.59Å; L33-Y37 HydrophobicContact CD1-CG 3.8Å; L33-Y37 HydrophobicContact CD2-CD2 3.92Å; L33-Y37 HydrophobicContact CD2-CG 3.97Å; L33-Y37 HydrophobicContact CG-CD1 4.34Å; L33-Y37 HydrophobicContact CG-CD2 4.36Å; L33-Y37 HydrophobicContact CG-CG 4.2Å; E34-Y37 PolarHBondContact O-N 3.07Å; Y37-R39 VanDerWaalsContact C-N 3.29Å; Y37-R39 PolarHBondContact O-N 2.98Å; Y37-S40 PolarHBondContact O-N 3.33Å; Y37-S40 PolarHBondContact O-OG 3Å; Y37-L41 HydrophobicContact CD2-CD1 3.99Å; Y37-L41 HydrophobicContact CE2-CD1 4.27Å; Y37-G67 WeakPolarHBondContact OH-CA 3.27Å
38L96.6Very high95.5Very high55 Ų5593 Ų9329%0.28852%0.52SS..G310 helixtrans-63.9-32.3-172.4-169.564.6000113G36 S40 L41 I42 V63 I64G36-L38 PolarHBondContact O-N 3.3Å; G36-L38 VanDerWaalsContact O-N 3.1Å; L38-S40 PolarHBondContact O-N 2.83Å; L38-L41 PolarHBondContact O-N 3.11Å; L38-I42 HydrophobicContact CD1-CD1 3.89Å; L38-I42 HydrophobicContact CD1-CG1 4.27Å; L38-I42 HydrophobicContact CD2-CD1 4.06Å; L38-I42 HydrophobicContact CG-CD1 3.7Å; L38-I42 HydrophobicContact CG-CG1 4.29Å; L38-I42 PolarHBondContact O-N 3.25Å; L38-V63 HydrophobicContact CD1-CG1 3.27Å; L38-I64 HydrophobicContact CD1-CD1 4.39Å
39R95.8Very high95.7Very high180 Ų18096.3 Ų96.368%0.67953%0.529SS*.G310 helixtrans-61.9-30.3-175.8-177.361.9-179.9-169.76.2112.3G36 Y37 L41G36-R39 PolarHBondContact O-N 3.45Å; G36-R39 VanDerWaalsContact O-N 3.13Å; Y37-R39 VanDerWaalsContact C-N 3.29Å; Y37-R39 PolarHBondContact O-N 2.98Å; R39-L41 VanDerWaalsContact C-N 3.34Å
40S94.6Very high95.7Very high103 Ų103101.9 Ų101.972%0.7257%0.565SS**G310 helixtrans-81-14178.368.50000113.8Y37 L38Y37-S40 PolarHBondContact O-N 3.33Å; Y37-S40 PolarHBondContact O-OG 3Å; L38-S40 PolarHBondContact O-N 2.83Å
41L95.6Very high95.9Very high68 Ų68102.6 Ų102.636%0.35657%0.571SS.*THydrogen-bonded Turntrans-100.6-11.9-175-59.2179.9000113.5Y37 L38 R39 V63Y37-L41 HydrophobicContact CD2-CD1 3.99Å; Y37-L41 HydrophobicContact CE2-CD1 4.27Å; L38-L41 PolarHBondContact O-N 3.11Å; R39-L41 VanDerWaalsContact C-N 3.34Å; L41-V63 HydrophobicContact CB-CG1 3.71Å; L41-V63 HydrophobicContact CB-CG2 4.22Å; L41-V63 HydrophobicContact CD1-CG1 4.1Å
42I95.5Very high96.1Very high84 Ų84103.7 Ų103.743%0.43158%0.579SS.*SBendtrans-114.6141.7-177.8-59.8-175.9000108.8L38 V63L38-I42 HydrophobicContact CD1-CD1 3.89Å; L38-I42 HydrophobicContact CD1-CG1 4.27Å; L38-I42 HydrophobicContact CD2-CD1 4.06Å; L38-I42 HydrophobicContact CG-CD1 3.7Å; L38-I42 HydrophobicContact CG-CG1 4.29Å; L38-I42 PolarHBondContact O-N 3.25Å; I42-V63 HydrophobicContact CG1-CG1 4.09Å
43P95.7Very high96.3Very high94 Ų94100.7 Ų100.761%0.6156%0.561SS**  trans-51150.4171.8-27.936.2000113.3E45P43-E45 PolarHBondContact O-N 3.15Å
44T97.4Very high96.6Very high111 Ų111102 Ų10268%0.68157%0.565SS**SBendtrans-72.5-18.6-17949.30000113.5
45E97.8Very high96.7Very high160 Ų16099.9 Ų99.975%0.74856%0.555SS**SBendtrans-133156.6-177.8-61.9-177-177.400109.9P43P43-E45 PolarHBondContact O-N 3.15Å
46A97.8Very high96.8Very high85 Ų8598.1 Ų98.170%0.70254%0.538SS*.  trans-68.8148.4173.500000110.5
47P97.4Very high96.9Very high79 Ų7997 Ų9751%0.51352%0.518SS..  trans-66.6140.7-179.431.6-38000110.7E49 E51P47-E49 WeakPolarHBondContact CB-O 3.36Å; P47-E51 HydrophobicContact CB-CG 4.25Å; P47-E51 HydrophobicContact CG-CG 4.36Å
48L97.9Very high96.9Very high177 Ų17799.6 Ų99.693%0.92753%0.532SS*.SBendtrans-73.4-36.6175.2-68.9175.6000111.8
49E97.9Very high97Very high150 Ų15099.4 Ų99.470%0.70153%0.532SS*.SBendtrans-109.5152.7179.8-64.9-58.9152.600109.9P47 E51P47-E49 WeakPolarHBondContact CB-O 3.36Å; E49-E51 PolarHBondContact O-N 3.26Å
50P96.9Very high97.1Very high119 Ų11992.4 Ų92.477%0.77351%0.508SS*.PPolyproline II helixtrans-65134.4179.127.4-34.7000111.7
51E97.3Very high97.2Very high103 Ų10390.6 Ų90.648%0.48149%0.489SS..PPolyproline II helixtrans-85.8158.4169-63.6178.8106.900110.9P47 E49P47-E51 HydrophobicContact CB-CG 4.25Å; P47-E51 HydrophobicContact CG-CG 4.36Å; E49-E51 PolarHBondContact O-N 3.26Å
52S97.1Very high97.2Very high45 Ų4592.7 Ų92.732%0.31549%0.492SS..PPolyproline II helixtrans-75.3153.7178.8690000112.1E54 E55 I56S52-E54 PolarHBondContact O-N 3.06Å; S52-E55 WeakPolarHBondContact CB-OE2 3.34Å; S52-E55 PolarHBondContact N-OE2 3.47Å; S52-E55 PolarHBondContact O-N 3.14Å; S52-E55 WeakPolarHBondContact OG-CB 3.34Å; S52-E55 WeakPolarHBondContact OG-CG 3.28Å; S52-E55 PolarHBondContact OG-N 2.85Å; S52-E55 PolarHBondContact OG-OE2 3.06Å; S52-I56 WeakPolarHBondContact O-CG1 3.5Å; S52-I56 PolarHBondContact O-N 2.98Å; S52-I56 VanDerWaalsContact O-N 3.16Å
53Y97.1Very high97.2Very high37 Ų3788.9 Ų88.915%0.14547%0.472CS..Hα-helixtrans-60.8-36.3174.1177-93.8000111.9M1 R9 E12 I56 M57M1-Y53 HydrophobicContact CE-CD2 4.24Å; R9-Y53 HydrophobicContact CB-CD2 4.31Å; R9-Y53 HydrophobicContact CB-CE1 4.26Å; R9-Y53 HydrophobicContact CB-CE2 4.05Å; R9-Y53 VanDerWaalsContact CD-CD1 3.44Å; R9-Y53 HydrophobicContact CG-CD1 4.06Å; R9-Y53 HydrophobicContact CG-CD2 4.11Å; R9-Y53 HydrophobicContact CG-CE1 4.26Å; R9-Y53 HydrophobicContact CG-CE2 4.34Å; R9-Y53 HydrophobicContact CG-CG 3.96Å; E12-Y53 WeakPolarHBondContact OE2-CE1 3.48Å; Y53-I56 PolarHBondContact O-N 3.17Å; Y53-M57 HydrophobicContact CD1-CG 3.92Å; Y53-M57 HydrophobicContact CD2-CG 4.4Å; Y53-M57 HydrophobicContact CE1-CB 4.46Å; Y53-M57 HydrophobicContact CE1-CG 3.38Å; Y53-M57 HydrophobicContact CE1-SD 4.47Å; Y53-M57 HydrophobicContact CE2-CG 3.9Å; Y53-M57 HydrophobicContact CE2-SD 4.22Å; Y53-M57 HydrophobicContact CG-CG 4.42Å; Y53-M57 WeakPolarHBondContact O-CG 3.41Å; Y53-M57 PolarHBondContact O-N 2.89Å
54E97.5Very high97.3Very high97 Ų9787.9 Ų87.945%0.45346%0.461SS..Hα-helixtrans-59.3-46176.2-74.577.5-174.900112.4R8 R9 S52 M57 H58R8-E54 IonicContact NH1-OE1 3.07Å; R9-E54 IonicContact CZ-OE1 2.64Å; R9-E54 IonicContact CZ-OE2 2.88Å; R9-E54 IonicContact NH1-OE1 3.66Å; R9-E54 PolarHBondContact NH1-OE1 3.27Å; R9-E54 IonicContact NH1-OE2 3.73Å; R9-E54 IonicContact NH2-OE1 2.72Å; R9-E54 PolarHBondContact NH2-OE1 2.81Å; R9-E54 IonicContact NH2-OE2 3.88Å; R9-E54 PolarHBondContact NH2-OE2 3.28Å; S52-E54 PolarHBondContact O-N 3.06Å; E54-M57 PolarHBondContact O-N 3.19Å; E54-H58 WeakPolarHBondContact O-CB 3.45Å; E54-H58 PolarHBondContact O-N 3.31Å
55E97Very high97.3Very high105 Ų10583.7 Ų83.749%0.49143%0.434SS..Hα-helixtrans-63.4-43.5176.8-73.3159.6150.300110.9S52 M57 H58 D59S52-E55 WeakPolarHBondContact CB-OE2 3.34Å; S52-E55 PolarHBondContact N-OE2 3.47Å; S52-E55 PolarHBondContact O-N 3.14Å; S52-E55 WeakPolarHBondContact OG-CB 3.34Å; S52-E55 WeakPolarHBondContact OG-CG 3.28Å; S52-E55 PolarHBondContact OG-N 2.85Å; S52-E55 PolarHBondContact OG-OE2 3.06Å; E55-M57 PolarHBondContact O-N 2.58Å; E55-H58 PolarHBondContact O-N 3.13Å; E55-D59 PolarHBondContact O-N 3.2Å
56I97.6Very high97.2Very high87 Ų8779.2 Ų79.245%0.44642%0.419SS..Hα-helixtrans-60.1-47176.7-64.9167.7000110.8S52 Y53 D59 V60S52-I56 WeakPolarHBondContact O-CG1 3.5Å; S52-I56 PolarHBondContact O-N 2.98Å; S52-I56 VanDerWaalsContact O-N 3.16Å; Y53-I56 PolarHBondContact O-N 3.17Å; I56-D59 PolarHBondContact O-N 3.18Å; I56-V60 WeakPolarHBondContact O-CG2 3.44Å; I56-V60 PolarHBondContact O-N 3.01Å
57M97.9Very high97.2Very high33 Ų3376.2 Ų76.216%0.16340%0.396CS..Hα-helixtrans-70.4-34-179.4-74.4-54.4-58.600113.1M13 Y16 Y53 E54 E55 D59 V60 E61M13-M57 HydrophobicContact CE-CE 3.77Å; M13-M57 HydrophobicContact CE-SD 3.47Å; M13-M57 WeakPolarHBondContact CE-SD 3.27Å; Y16-M57 HydrophobicContact CD1-CE 4.19Å; Y16-M57 HydrophobicContact CD2-CE 4.25Å; Y16-M57 HydrophobicContact CE1-CE 4.31Å; Y16-M57 HydrophobicContact CE2-CE 4.36Å; Y16-M57 HydrophobicContact CG-CE 4.16Å; Y53-M57 HydrophobicContact CD1-CG 3.92Å; Y53-M57 HydrophobicContact CD2-CG 4.4Å; Y53-M57 HydrophobicContact CE1-CB 4.46Å; Y53-M57 HydrophobicContact CE1-CG 3.38Å; Y53-M57 HydrophobicContact CE1-SD 4.47Å; Y53-M57 HydrophobicContact CE2-CG 3.9Å; Y53-M57 HydrophobicContact CE2-SD 4.22Å; Y53-M57 HydrophobicContact CG-CG 4.42Å; Y53-M57 WeakPolarHBondContact O-CG 3.41Å; Y53-M57 PolarHBondContact O-N 2.89Å; E54-M57 PolarHBondContact O-N 3.19Å; E55-M57 PolarHBondContact O-N 2.58Å; M57-D59 VanDerWaalsContact C-N 3.26Å; M57-D59 PolarHBondContact O-N 3.07Å; M57-V60 WeakPolarHBondContact O-CB 3.34Å; M57-V60 PolarHBondContact O-N 3.25Å; M57-V60 HydrophobicContact SD-CG2 4.2Å; M57-E61 PolarHBondContact O-N 3.35Å
58H97.2Very high97.2Very high120 Ų12074.3 Ų74.356%0.55638%0.383SS*.Hα-helixtrans-59.2-41.7169.8171.8-94.2000110.9E54 E55 E61 R62E54-H58 WeakPolarHBondContact O-CB 3.45Å; E54-H58 PolarHBondContact O-N 3.31Å; E55-H58 PolarHBondContact O-N 3.13Å; H58-E61 PolarHBondContact O-N 3.04Å; H58-R62 VanDerWaalsContact O-CB 3.3Å; H58-R62 WeakPolarHBondContact O-CB 3.4Å; H58-R62 PolarHBondContact O-N 3.1Å
59D97.7Very high97.2Very high51 Ų5167.5 Ų67.527%0.27335%0.349SS..Hα-helixtrans-72.1-27.4177.7-81.15.9000113.8E55 I56 M57 E61 R62 V63 I64E55-D59 PolarHBondContact O-N 3.2Å; I56-D59 PolarHBondContact O-N 3.18Å; M57-D59 VanDerWaalsContact C-N 3.26Å; M57-D59 PolarHBondContact O-N 3.07Å; D59-E61 VanDerWaalsContact C-N 3.34Å; D59-E61 PolarHBondContact O-N 2.98Å; D59-R62 PolarHBondContact O-N 2.99Å; D59-R62 IonicContact OD1-CZ 3.15Å; D59-R62 IonicContact OD1-NE 3.57Å; D59-R62 PolarHBondContact OD1-NE 3.24Å; D59-R62 IonicContact OD1-NH2 2.83Å; D59-R62 PolarHBondContact OD1-NH2 3.3Å; D59-R62 IonicContact OD2-NH2 3.29Å; D59-R62 PolarHBondContact OD2-NH2 3.17Å; D59-V63 HydrophobicContact CB-CG2 4.44Å; D59-V63 WeakPolarHBondContact O-CA 3.26Å; D59-V63 VanDerWaalsContact O-CB 3.24Å; D59-V63 WeakPolarHBondContact O-CB 3.34Å; D59-V63 PolarHBondContact O-N 2.67Å; D59-I64 PolarHBondContact O-N 3.3Å
60V97.9Very high97.2Very high32 Ų3260.5 Ų60.519%0.19432%0.316CS..Iπ-helixtrans-56.5-48.3169.9170.40000110.8I56 M57 I64 M65I56-V60 WeakPolarHBondContact O-CG2 3.44Å; I56-V60 PolarHBondContact O-N 3.01Å; M57-V60 WeakPolarHBondContact O-CB 3.34Å; M57-V60 PolarHBondContact O-N 3.25Å; M57-V60 HydrophobicContact SD-CG2 4.2Å; V60-I64 WeakPolarHBondContact O-CA 3.29Å; V60-I64 WeakPolarHBondContact O-CB 3.29Å; V60-I64 PolarHBondContact O-N 2.97Å; V60-M65 HydrophobicContact CG1-CE 4.22Å; V60-M65 HydrophobicContact CG1-CG 4.33Å; V60-M65 WeakPolarHBondContact O-CG 3.27Å; V60-M65 PolarHBondContact O-N 3.49Å
61E96.3Very high97.2Very high66 Ų6659.6 Ų59.631%0.30830%0.298SS..Iπ-helixtrans-76.5-36.2178.8-74.2-65.3171.600113.3Y16 R27 M57 H58 D59 M65 P66Y16-E61 HydrophobicContact CE2-CG 4.34Å; Y16-E61 WeakPolarHBondContact CE2-OE1 3.21Å; Y16-E61 VanDerWaalsContact CZ-OE1 3.26Å; Y16-E61 PolarHBondContact OH-OE1 3.28Å; R27-E61 IonicContact CZ-OE1 3.85Å; R27-E61 IonicContact CZ-OE2 2.88Å; R27-E61 IonicContact NH1-OE1 3.95Å; R27-E61 IonicContact NH1-OE2 2.89Å; R27-E61 PolarHBondContact NH1-OE2 3.31Å; R27-E61 IonicContact NH2-OE1 2.84Å; R27-E61 PolarHBondContact NH2-OE1 3.48Å; R27-E61 IonicContact NH2-OE2 3.75Å; R27-E61 PolarHBondContact NH2-OE2 3.49Å; M57-E61 PolarHBondContact O-N 3.35Å; H58-E61 PolarHBondContact O-N 3.04Å; D59-E61 VanDerWaalsContact C-N 3.34Å; D59-E61 PolarHBondContact O-N 2.98Å; E61-M65 WeakPolarHBondContact OE2-CG 3.37Å; E61-P66 VanDerWaalsContact O-CD 3.3Å; E61-P66 WeakPolarHBondContact O-CD 3.47Å
62R96.1Very high97.2Very high111 Ų11157 Ų5742%0.41929%0.285SS..Iπ-helixtrans-75-37.2-177.4-178.4-178.267.485.4-4.2113.1H58 D59H58-R62 VanDerWaalsContact O-CB 3.3Å; H58-R62 WeakPolarHBondContact O-CB 3.4Å; H58-R62 PolarHBondContact O-N 3.1Å; D59-R62 PolarHBondContact O-N 2.99Å; D59-R62 IonicContact OD1-CZ 3.15Å; D59-R62 IonicContact OD1-NE 3.57Å; D59-R62 PolarHBondContact OD1-NE 3.24Å; D59-R62 IonicContact OD1-NH2 2.83Å; D59-R62 PolarHBondContact OD1-NH2 3.3Å; D59-R62 IonicContact OD2-NH2 3.29Å; D59-R62 PolarHBondContact OD2-NH2 3.17Å
63V96.8Very high97.3Very high4 Ų454.9 Ų54.92%0.02427%0.27CS..Iπ-helixtrans-119.2-39-164.2-178.60000112.3L38 L41 I42 D59L38-V63 HydrophobicContact CD1-CG1 3.27Å; L41-V63 HydrophobicContact CB-CG1 3.71Å; L41-V63 HydrophobicContact CB-CG2 4.22Å; L41-V63 HydrophobicContact CD1-CG1 4.1Å; I42-V63 HydrophobicContact CG1-CG1 4.09Å; D59-V63 HydrophobicContact CB-CG2 4.44Å; D59-V63 WeakPolarHBondContact O-CA 3.26Å; D59-V63 VanDerWaalsContact O-CB 3.24Å; D59-V63 WeakPolarHBondContact O-CB 3.34Å; D59-V63 PolarHBondContact O-N 2.67Å
64I97.7Very high97.3Very high74 Ų7453.2 Ų53.238%0.37926%0.264SS..Iπ-helixtrans-87-58.2-176.6-54.6-59.4000111.4L38 D59 V60 P66 G67 V68L38-I64 HydrophobicContact CD1-CD1 4.39Å; D59-I64 PolarHBondContact O-N 3.3Å; V60-I64 WeakPolarHBondContact O-CA 3.29Å; V60-I64 WeakPolarHBondContact O-CB 3.29Å; V60-I64 PolarHBondContact O-N 2.97Å; I64-P66 VanDerWaalsContact C-N 3.33Å; I64-G67 PolarHBondContact O-N 3.03Å; I64-V68 HydrophobicContact CG2-CG2 4.02Å; I64-V68 PolarHBondContact O-N 2.87Å
65M97.4Very high97.3Very high23 Ų2349.4 Ų49.411%0.11325%0.247CC..G310 helixtrans-54.8-36.7-174-74.1-59.2178.400114.8Y16 Y20 V60 E61 G67 V68Y16-M65 HydrophobicContact CE1-CE 4.06Å; Y16-M65 WeakPolarHBondContact OH-CE 3.34Å; Y20-M65 HydrophobicContact CD2-CE 4.24Å; Y20-M65 HydrophobicContact CE2-CE 4.19Å; Y20-M65 HydrophobicContact CE2-SD 4.16Å; V60-M65 HydrophobicContact CG1-CE 4.22Å; V60-M65 HydrophobicContact CG1-CG 4.33Å; V60-M65 WeakPolarHBondContact O-CG 3.27Å; V60-M65 PolarHBondContact O-N 3.49Å; E61-M65 WeakPolarHBondContact OE2-CG 3.37Å; M65-G67 PolarHBondContact O-N 3.07Å; M65-G67 VanDerWaalsContact O-N 3.15Å; M65-V68 PolarHBondContact O-N 3.02Å; M65-V68 VanDerWaalsContact O-N 3.12Å; M65-V68 HydrophobicContact SD-CB 4.39Å; M65-V68 HydrophobicContact SD-CG2 4.06Å
66P95.7Very high97.4Very high65 Ų6544.4 Ų44.442%0.42222%0.224SC..G310 helixtrans-61.3-23.4177.2-26.637.5000114.3P31 L33 E61 I64P31-P66 WeakPolarHBondContact CB-O 3.38Å; L33-P66 WeakPolarHBondContact CD1-O 3.23Å; E61-P66 VanDerWaalsContact O-CD 3.3Å; E61-P66 WeakPolarHBondContact O-CD 3.47Å; I64-P66 VanDerWaalsContact C-N 3.33Å
67G96.6Very high97.4Very high22 Ų2240.3 Ų40.323%0.22720%0.203CC..G310 helixtrans-1076.5176.300000115.3Y37 I64 M65Y37-G67 WeakPolarHBondContact OH-CA 3.27Å; I64-G67 PolarHBondContact O-N 3.03Å; M65-G67 PolarHBondContact O-N 3.07Å; M65-G67 VanDerWaalsContact O-N 3.15Å
68V97.7Very high97.4Very high39 Ų3938.7 Ų38.724%0.23620%0.195CC..  trans-76.2125172.2172.70000108.9I64 M65I64-V68 HydrophobicContact CG2-CG2 4.02Å; I64-V68 PolarHBondContact O-N 2.87Å; M65-V68 PolarHBondContact O-N 3.02Å; M65-V68 VanDerWaalsContact O-N 3.12Å; M65-V68 HydrophobicContact SD-CB 4.39Å; M65-V68 HydrophobicContact SD-CG2 4.06Å
69T97.6Very high97.5Very high34 Ų3438.5 Ų38.521%0.20919%0.19CC..  trans-76.1121.7158.3-620000107.9Y30 P31 W71 F76Y30-T69 HydrophobicContact CD2-CG2 4.3Å; P31-T69 WeakPolarHBondContact CD-OG1 3.48Å; T69-W71 PolarHBondContact O-N 3.46Å; T69-F76 HydrophobicContact CG2-CD2 4.06Å; T69-F76 HydrophobicContact CG2-CE2 3.7Å
70H97.8Very high97.5Very high4 Ų436.7 Ų36.72%0.01918%0.179CC..  trans-8580.4-172.7-65.6-62.7000111.7Y20 I24 R27 P28 V29 H72 S73Y20-H70 AromaticContact CE2-CE1 3.73Å; Y20-H70 AromaticContact CE2-ND1 3.57Å; Y20-H70 AromaticContact CZ-ND1 3.62Å; Y20-H70 PolarHBondContact OH-ND1 3.28Å; I24-H70 HydrophobicContact CD1-CB 4.08Å; I24-H70 HydrophobicContact CG1-CB 4.07Å; R27-H70 WeakPolarHBondContact CB-NE2 3.19Å; R27-H70 WeakPolarHBondContact CD-NE2 3.42Å; P28-H70 PolarHBondContact O-CD2 3.39Å; P28-H70 VanDerWaalsContact O-CD2 3.26Å; V29-H70 PolarHBondContact O-N 3.08Å; H70-H72 PolarHBondContact O-N 2.89Å; H70-S73 WeakPolarHBondContact O-CB 3.47Å; H70-S73 PolarHBondContact O-N 2.84Å
71W98Very high97.4Very high99 Ų9935.3 Ų35.338%0.37517%0.171SC..THydrogen-bonded Turntrans-56.5-21.2-178.1-75.178.6000115.4T69 F76 Y79 A82T69-W71 PolarHBondContact O-N 3.46Å; W71-F76 HydrophobicContact CD2-CE1 4.04Å; W71-F76 AromaticContact CD2-CE2 3.85Å; W71-F76 HydrophobicContact CD2-CE2 3.85Å; W71-F76 AromaticContact CD2-CZ 3.42Å; W71-F76 HydrophobicContact CD2-CZ 3.42Å; W71-F76 VanDerWaalsContact CD2-CZ 3.42Å; W71-F76 AromaticContact CE2-CZ 3.84Å; W71-F76 AromaticContact CE3-CE1 3.49Å; W71-F76 HydrophobicContact CE3-CE1 3.49Å; W71-F76 VanDerWaalsContact CE3-CE1 3.49Å; W71-F76 HydrophobicContact CE3-CE2 4.13Å; W71-F76 AromaticContact CE3-CZ 3.24Å; W71-F76 HydrophobicContact CE3-CZ 3.24Å; W71-F76 HydrophobicContact CG-CE2 4.09Å; W71-F76 HydrophobicContact CG-CZ 4.08Å; W71-F76 AromaticContact CH2-CZ 3.92Å; W71-F76 HydrophobicContact CH2-CZ 3.92Å; W71-F76 HydrophobicContact CZ2-CZ 4.08Å; W71-F76 AromaticContact CZ3-CE1 3.85Å; W71-F76 HydrophobicContact CZ3-CE1 3.85Å; W71-F76 AromaticContact CZ3-CZ 3.51Å; W71-F76 HydrophobicContact CZ3-CZ 3.51Å; W71-Y79 AromaticContact CH2-CD2 3.51Å; W71-Y79 HydrophobicContact CH2-CD2 3.51Å; W71-Y79 HydrophobicContact CH2-CE2 4.08Å; W71-Y79 HydrophobicContact CH2-CG 4.11Å; W71-Y79 HydrophobicContact CZ2-CD2 4.12Å; W71-Y79 HydrophobicContact CZ2-CE2 4.26Å; W71-Y79 HydrophobicContact CZ3-CD2 4.09Å; W71-A82 HydrophobicContact CE3-CB 3.88Å; W71-A82 HydrophobicContact CZ3-CB 4.48Å
72H97.6Very high97.4Very high49 Ų4933.6 Ų33.623%0.22717%0.169CC..THydrogen-bonded Turntrans-98.23.4178-59.2-36000113.4L21 I24 H70 A82 S84 A453L21-H72 HydrophobicContact CD2-CB 4.17Å; I24-H72 HydrophobicContact CD1-CB 3.79Å; H70-H72 PolarHBondContact O-N 2.89Å; H72-A82 PolarHBondContact CE1-O 3.16Å; H72-A82 PolarHBondContact ND1-O 2.64Å; H72-S84 WeakPolarHBondContact CE1-CB 3.47Å; H72-S84 VanDerWaalsContact NE2-CB 3.29Å; H72-S84 WeakPolarHBondContact NE2-CB 3.39Å; H72-A453 VanDerWaalsContact O-CB 3.24Å; H72-A453 WeakPolarHBondContact O-CB 3.47Å
73S98.2Very high97.3Very high0 Ų028.8 Ų28.80%015%0.152CC..SBendtrans-65.9137.8173178.30000110.1H70 N75 F76 A453H70-S73 WeakPolarHBondContact O-CB 3.47Å; H70-S73 PolarHBondContact O-N 2.84Å; S73-N75 PolarHBondContact O-N 3.35Å; S73-N75 PolarHBondContact OG-N 3.3Å; S73-F76 WeakPolarHBondContact O-CB 3.33Å; S73-F76 PolarHBondContact O-N 2.91Å; S73-A453 WeakPolarHBondContact O-CB 3.39Å
74P97.8Very high97.2Very high2 Ų229.2 Ų29.21%0.01316%0.156CC..THydrogen-bonded Turntrans-65.8-4.8171.830.9-36.3000113.2E25 F77 H460E25-P74 HydrophobicContact CB-CG 4.22Å; E25-P74 HydrophobicContact CG-CG 4.12Å; P74-F77 WeakPolarHBondContact O-CE2 3.44Å; P74-F77 WeakPolarHBondContact O-CZ 3.36Å; P74-H460 HydrophobicContact CB-CB 4.36Å; P74-H460 WeakPolarHBondContact CG-NE2 3.48Å
75N97.7Very high97.2Very high18 Ų1825.9 Ų25.910%0.09614%0.139CC..THydrogen-bonded Turntrans-100.22.8173.9-64.1-32.4000113.6V29 S73 F77 E433 L434 H435V29-N75 HydrophobicContact CB-CB 4.33Å; V29-N75 HydrophobicContact CG1-CB 4.37Å; S73-N75 PolarHBondContact O-N 3.35Å; S73-N75 PolarHBondContact OG-N 3.3Å; N75-F77 WeakPolarHBondContact O-CD2 3.49Å; N75-E433 VanDerWaalsContact CB-O 3.24Å; N75-E433 WeakPolarHBondContact CB-O 3.44Å; N75-L434 HydrophobicContact CB-CD2 4.2Å; N75-H435 PolarHBondContact O-N 2.78Å
76F98.4Very high97.3Very high0 Ų028.5 Ų28.50%015%0.148CC..BIsolated β-bridgetrans-87.6110.4173.3-175.6-85.4000109.6V29 T69 W71 S73 A78 Y79 H435 C452V29-F76 HydrophobicContact CG2-CB 3.64Å; V29-F76 HydrophobicContact CG2-CD2 3.96Å; V29-F76 HydrophobicContact CG2-CG 4.3Å; T69-F76 HydrophobicContact CG2-CD2 4.06Å; T69-F76 HydrophobicContact CG2-CE2 3.7Å; W71-F76 HydrophobicContact CD2-CE1 4.04Å; W71-F76 AromaticContact CD2-CE2 3.85Å; W71-F76 HydrophobicContact CD2-CE2 3.85Å; W71-F76 AromaticContact CD2-CZ 3.42Å; W71-F76 HydrophobicContact CD2-CZ 3.42Å; W71-F76 VanDerWaalsContact CD2-CZ 3.42Å; W71-F76 AromaticContact CE2-CZ 3.84Å; W71-F76 AromaticContact CE3-CE1 3.49Å; W71-F76 HydrophobicContact CE3-CE1 3.49Å; W71-F76 VanDerWaalsContact CE3-CE1 3.49Å; W71-F76 HydrophobicContact CE3-CE2 4.13Å; W71-F76 AromaticContact CE3-CZ 3.24Å; W71-F76 HydrophobicContact CE3-CZ 3.24Å; W71-F76 HydrophobicContact CG-CE2 4.09Å; W71-F76 HydrophobicContact CG-CZ 4.08Å; W71-F76 AromaticContact CH2-CZ 3.92Å; W71-F76 HydrophobicContact CH2-CZ 3.92Å; W71-F76 HydrophobicContact CZ2-CZ 4.08Å; W71-F76 AromaticContact CZ3-CE1 3.85Å; W71-F76 HydrophobicContact CZ3-CE1 3.85Å; W71-F76 AromaticContact CZ3-CZ 3.51Å; W71-F76 HydrophobicContact CZ3-CZ 3.51Å; S73-F76 WeakPolarHBondContact O-CB 3.33Å; S73-F76 PolarHBondContact O-N 2.91Å; F76-A78 HydrophobicContact CE1-CB 4.17Å; F76-A78 WeakPolarHBondContact CE1-O 3.29Å; F76-A78 HydrophobicContact CE2-CB 4.16Å; F76-A78 HydrophobicContact CZ-CB 3.87Å; F76-Y79 AromaticContact CZ-CD2 3.94Å; F76-Y79 HydrophobicContact CZ-CD2 3.94Å; F76-H435 HydrophobicContact CD2-CB 4.39Å; F76-H435 AromaticContact CD2-CD2 3.94Å; F76-H435 AromaticContact CE2-CD2 3.62Å; F76-C452 HydrophobicContact CD1-CB 3.83Å; F76-C452 HydrophobicContact CE1-CB 4.47Å; F76-C452 WeakPolarHBondContact O-CB 3.31Å
77F98.5Very high97.4Very high0 Ų026 Ų260%013%0.132CC..  trans-121.314.1-179.9-59.7-74.1000113P74 N75 L434 H435 L436 F449 A450 I451 T456 I461 A464P74-F77 WeakPolarHBondContact O-CE2 3.44Å; P74-F77 WeakPolarHBondContact O-CZ 3.36Å; N75-F77 WeakPolarHBondContact O-CD2 3.49Å; F77-L434 HydrophobicContact CD2-CD2 4.12Å; F77-L434 HydrophobicContact CE2-CD2 3.8Å; F77-H435 CarbonylContact C-O 3.6Å; F77-H435 VanDerWaalsContact C-O 3.26Å; F77-H435 WeakPolarHBondContact CA-O 3.49Å; F77-H435 PolarHBondContact N-O 2.92Å; F77-L436 HydrophobicContact CB-CD1 4.31Å; F77-L436 HydrophobicContact CB-CG 4.37Å; F77-F449 HydrophobicContact CB-CD2 3.87Å; F77-F449 HydrophobicContact CB-CE2 4.02Å; F77-F449 HydrophobicContact CB-CG 4.29Å; F77-F449 HydrophobicContact CD1-CD1 4.04Å; F77-F449 HydrophobicContact CD1-CD2 4.12Å; F77-F449 AromaticContact CD1-CE1 3.55Å; F77-F449 HydrophobicContact CD1-CE1 3.55Å; F77-F449 AromaticContact CD1-CE2 3.64Å; F77-F449 HydrophobicContact CD1-CE2 3.64Å; F77-F449 HydrophobicContact CD1-CG 4.31Å; F77-F449 AromaticContact CD1-CZ 3.34Å; F77-F449 HydrophobicContact CD1-CZ 3.34Å; F77-F449 HydrophobicContact CD2-CD2 4.17Å; F77-F449 AromaticContact CD2-CE2 3.46Å; F77-F449 HydrophobicContact CD2-CE2 3.46Å; F77-F449 VanDerWaalsContact CD2-CE2 3.46Å; F77-F449 AromaticContact CD2-CZ 3.83Å; F77-F449 HydrophobicContact CD2-CZ 3.83Å; F77-F449 HydrophobicContact CE1-CD1 4.48Å; F77-F449 AromaticContact CE1-CE1 3.58Å; F77-F449 HydrophobicContact CE1-CE1 3.58Å; F77-F449 AromaticContact CE1-CE2 3.92Å; F77-F449 HydrophobicContact CE1-CE2 3.92Å; F77-F449 AromaticContact CE1-CZ 3.23Å; F77-F449 HydrophobicContact CE1-CZ 3.23Å; F77-F449 AromaticContact CE2-CE2 3.71Å; F77-F449 HydrophobicContact CE2-CE2 3.71Å; F77-F449 AromaticContact CE2-CZ 3.7Å; F77-F449 HydrophobicContact CE2-CZ 3.7Å; F77-F449 AromaticContact CG-CD2 3.79Å; F77-F449 HydrophobicContact CG-CD2 3.79Å; F77-F449 HydrophobicContact CG-CE1 4.2Å; F77-F449 AromaticContact CG-CE2 3.41Å; F77-F449 HydrophobicContact CG-CE2 3.41Å; F77-F449 VanDerWaalsContact CG-CE2 3.41Å; F77-F449 HydrophobicContact CG-CG 4.33Å; F77-F449 AromaticContact CG-CZ 3.65Å; F77-F449 HydrophobicContact CG-CZ 3.65Å; F77-F449 HydrophobicContact CZ-CE1 4.21Å; F77-F449 AromaticContact CZ-CE2 3.94Å; F77-F449 HydrophobicContact CZ-CE2 3.94Å; F77-F449 AromaticContact CZ-CZ 3.41Å; F77-F449 HydrophobicContact CZ-CZ 3.41Å; F77-F449 VanDerWaalsContact CZ-CZ 3.41Å; F77-A450 VanDerWaalsContact CA-O 3.3Å; F77-A450 WeakPolarHBondContact CA-O 3.41Å; F77-A450 WeakPolarHBondContact CD1-O 3.45Å; F77-A450 PolarHBondContact O-N 2.96Å; F77-I451 HydrophobicContact CE1-CD1 4.34Å; F77-T456 HydrophobicContact CE1-CG2 4.46Å; F77-I461 HydrophobicContact CE1-CD1 4.25Å; F77-A464 HydrophobicContact CE2-CB 3.9Å; F77-A464 HydrophobicContact CZ-CB 4.29Å
78A97.3Very high97.5Very high0 Ų025 Ų250%012%0.121CC..SBendtrans-85.4158.6-177.900000112.6F76 F80 H435 V437F76-A78 HydrophobicContact CE1-CB 4.17Å; F76-A78 WeakPolarHBondContact CE1-O 3.29Å; F76-A78 HydrophobicContact CE2-CB 4.16Å; F76-A78 HydrophobicContact CZ-CB 3.87Å; A78-F80 PolarHBondContact O-N 3.08Å; A78-H435 WeakPolarHBondContact CB-CD2 3.4Å; A78-H435 PolarHBondContact N-O 2.94Å; A78-V437 HydrophobicContact CB-CG1 3.89Å; A78-V437 HydrophobicContact CB-CG2 4.24Å
79Y98Very high97.5Very high116 Ų11625.6 Ų25.646%0.45512%0.122SC..SBendtrans53-130.3176.3-50.3-75000113.1W71 F76 V437 R448 A450W71-Y79 AromaticContact CH2-CD2 3.51Å; W71-Y79 HydrophobicContact CH2-CD2 3.51Å; W71-Y79 HydrophobicContact CH2-CE2 4.08Å; W71-Y79 HydrophobicContact CH2-CG 4.11Å; W71-Y79 HydrophobicContact CZ2-CD2 4.12Å; W71-Y79 HydrophobicContact CZ2-CE2 4.26Å; W71-Y79 HydrophobicContact CZ3-CD2 4.09Å; F76-Y79 AromaticContact CZ-CD2 3.94Å; F76-Y79 HydrophobicContact CZ-CD2 3.94Å; Y79-V437 HydrophobicContact CD1-CG2 4.19Å; Y79-V437 HydrophobicContact CE1-CG1 4.07Å; Y79-V437 HydrophobicContact CE1-CG2 4.43Å; Y79-V437 HydrophobicContact CE2-CG1 4.17Å; Y79-V437 HydrophobicContact CG-CG2 4.45Å; Y79-V437 VanDerWaalsContact N-CG2 3.34Å; Y79-R448 PolarHBondContact O-NH1 2.93Å; Y79-R448 PolarHBondContact O-NH2 3.4Å; Y79-A450 WeakPolarHBondContact O-CB 3.45Å
80F98.4Very high97.6Very high12 Ų1227.5 Ų27.55%0.05313%0.134CC..SBendtrans-123.4163162.7-82.8-52.9000107.6A78 C249 Y274 K303 L409A78-F80 PolarHBondContact O-N 3.08Å; F80-C249 HydrophobicContact CZ-CB 4.34Å; F80-Y274 HydrophobicContact CB-CD2 4.12Å; F80-Y274 HydrophobicContact CB-CG 4.48Å; F80-Y274 AromaticContact CD1-CD1 3.7Å; F80-Y274 HydrophobicContact CD1-CD1 3.7Å; F80-Y274 AromaticContact CD1-CD2 3.54Å; F80-Y274 HydrophobicContact CD1-CD2 3.54Å; F80-Y274 AromaticContact CD1-CE1 3.9Å; F80-Y274 HydrophobicContact CD1-CE1 3.9Å; F80-Y274 AromaticContact CD1-CE2 3.77Å; F80-Y274 HydrophobicContact CD1-CE2 3.77Å; F80-Y274 AromaticContact CD1-CG 3.51Å; F80-Y274 HydrophobicContact CD1-CG 3.51Å; F80-Y274 AromaticContact CD1-CZ 3.94Å; F80-Y274 HydrophobicContact CD2-CG 4.07Å; F80-Y274 AromaticContact CE1-CD1 3.24Å; F80-Y274 HydrophobicContact CE1-CD1 3.24Å; F80-Y274 HydrophobicContact CE1-CD2 4.02Å; F80-Y274 AromaticContact CE1-CE1 3.45Å; F80-Y274 HydrophobicContact CE1-CE1 3.45Å; F80-Y274 VanDerWaalsContact CE1-CE1 3.45Å; F80-Y274 HydrophobicContact CE1-CE2 4.2Å; F80-Y274 AromaticContact CE1-CG 3.55Å; F80-Y274 HydrophobicContact CE1-CG 3.55Å; F80-Y274 AromaticContact CE1-CZ 3.93Å; F80-Y274 HydrophobicContact CE2-CD1 4.18Å; F80-Y274 HydrophobicContact CE2-CG 4.06Å; F80-Y274 HydrophobicContact CG-CD1 4.36Å; F80-Y274 AromaticContact CG-CD2 3.85Å; F80-Y274 HydrophobicContact CG-CD2 3.85Å; F80-Y274 HydrophobicContact CG-CE2 4.47Å; F80-Y274 AromaticContact CG-CG 3.79Å; F80-Y274 HydrophobicContact CG-CG 3.79Å; F80-Y274 AromaticContact CZ-CD1 3.51Å; F80-Y274 HydrophobicContact CZ-CD1 3.51Å; F80-Y274 HydrophobicContact CZ-CE1 4.13Å; F80-Y274 AromaticContact CZ-CG 3.83Å; F80-Y274 HydrophobicContact CZ-CG 3.83Å; F80-K303 HydrophobicContact CB-CD 4.38Å; F80-L409 HydrophobicContact CE1-CB 4.15Å; F80-L409 HydrophobicContact CE1-CD2 4.01Å; F80-L409 HydrophobicContact CZ-CD2 4.09Å
81P96.4Very high97.6Very high4 Ų427.3 Ų27.33%0.02613%0.133CC..  trans-64.1149.7-172.8-15.729.6000111.6Y274 K303 F304 I451 C452P81-Y274 HydrophobicContact CG-CE2 4.08Å; P81-K303 CarbonylContact C-O 3.57Å; P81-K303 WeakPolarHBondContact CB-O 3.26Å; P81-K303 WeakPolarHBondContact O-CA 3.49Å; P81-F304 HydrophobicContact CG-CD2 4.41Å; P81-I451 VanDerWaalsContact CG-O 3.27Å; P81-I451 WeakPolarHBondContact CG-O 3.28Å; P81-C452 HydrophobicContact CB-CB 3.86Å; P81-C452 HydrophobicContact CG-CB 4.1Å
82A95.9Very high97.6Very high30 Ų3024.2 Ų24.225%0.24812%0.123CC..  trans-10398.3160.500000106.8W71 H72 H302W71-A82 HydrophobicContact CE3-CB 3.88Å; W71-A82 HydrophobicContact CZ3-CB 4.48Å; H72-A82 PolarHBondContact CE1-O 3.16Å; H72-A82 PolarHBondContact ND1-O 2.64Å; A82-H302 CarbonylContact C-O 3.59Å; A82-H302 WeakPolarHBondContact CA-O 3.25Å
83A93.4Very high97.6Very high9 Ų927.1 Ų27.17%0.07414%0.138CC..  trans-58.7147.7-179.400000111.3H302 K303 L306 V307 N308A83-H302 PolarHBondContact N-O 3.39Å; A83-K303 VanDerWaalsContact CB-O 3.23Å; A83-K303 WeakPolarHBondContact CB-O 3.28Å; A83-K303 PolarHBondContact N-O 2.86Å; A83-L306 VanDerWaalsContact CB-N 3.31Å; A83-V307 CarbonylContact C-O 3.53Å; A83-V307 CarbonylContact O-C 3.56Å; A83-N308 VanDerWaalsContact O-CA 3.3Å; A83-N308 WeakPolarHBondContact O-CA 3.16Å
84S95.3Very high97.6Very high14 Ų1430.6 Ų30.610%0.09816%0.157CC..  trans-162.1152.3174.9-171.20000110.6H72 M89H72-S84 WeakPolarHBondContact CE1-CB 3.47Å; H72-S84 VanDerWaalsContact NE2-CB 3.29Å; H72-S84 WeakPolarHBondContact NE2-CB 3.39Å; S84-M89 WeakPolarHBondContact OG-CE 3.45Å
85S98.3Very high97.7Very high3 Ų331 Ų312%0.02116%0.16CC..  trans-158.3155.9176.966.60000112A88 M89 L306 Y370S85-A88 WeakPolarHBondContact O-CB 3.26Å; S85-A88 PolarHBondContact O-N 2.85Å; S85-A88 VanDerWaalsContact O-N 3.08Å; S85-M89 WeakPolarHBondContact O-CG 3.35Å; S85-M89 PolarHBondContact O-N 3.14Å; S85-L306 VanDerWaalsContact CB-O 3.31Å; S85-L306 WeakPolarHBondContact CB-O 3.43Å; S85-L306 PolarHBondContact N-O 3.13Å; S85-L306 PolarHBondContact OG-O 3.18Å; S85-Y370 WeakPolarHBondContact CB-OH 3.09Å
86Y98.4Very high97.6Very high79 Ų7933 Ų3331%0.3118%0.184SC..Hα-helixtrans-56.3-42.3176.8-59.4-65.4000113.5L21 A88 M89 V90L21-Y86 HydrophobicContact CD1-CD1 4.41Å; L21-Y86 HydrophobicContact CD1-CE1 3.67Å; Y86-A88 VanDerWaalsContact C-N 3.28Å; Y86-A88 PolarHBondContact O-N 2.77Å; Y86-M89 HydrophobicContact CD1-SD 4.26Å; Y86-M89 PolarHBondContact O-N 2.98Å; Y86-V90 WeakPolarHBondContact O-CG2 3.29Å; Y86-V90 PolarHBondContact O-N 3.21Å
87P98.7Very high97.6Very high13 Ų1337 Ų378%0.08422%0.218CC..Hα-helixtrans-55.2-41.5173.2-30.438.6000113.8A91 F365 V366 M369 Y370P87-A91 VanDerWaalsContact O-CB 3.32Å; P87-A91 WeakPolarHBondContact O-CB 3.18Å; P87-A91 PolarHBondContact O-N 3.07Å; P87-A91 VanDerWaalsContact O-N 3.09Å; P87-F365 HydrophobicContact CB-CB 4.35Å; P87-V366 HydrophobicContact CB-CG2 4.23Å; P87-M369 HydrophobicContact CB-CB 4.27Å; P87-M369 HydrophobicContact CB-CG 4.46Å; P87-M369 HydrophobicContact CB-SD 3.63Å; P87-M369 HydrophobicContact CG-CB 4.01Å; P87-M369 HydrophobicContact CG-CE 4.09Å; P87-M369 HydrophobicContact CG-SD 3.79Å; P87-Y370 HydrophobicContact CG-CD2 4.41Å; P87-Y370 HydrophobicContact CG-CE2 3.82Å
88A98.4Very high97.6Very high0 Ų040.9 Ų40.90%024%0.237CC..Hα-helixtrans-70-40-179.800000111.7S85 Y86 A91 D92 N308 K362 V366S85-A88 WeakPolarHBondContact O-CB 3.26Å; S85-A88 PolarHBondContact O-N 2.85Å; S85-A88 VanDerWaalsContact O-N 3.08Å; Y86-A88 VanDerWaalsContact C-N 3.28Å; Y86-A88 PolarHBondContact O-N 2.77Å; A88-A91 PolarHBondContact O-N 3.44Å; A88-D92 PolarHBondContact O-N 2.84Å; A88-N308 WeakPolarHBondContact CB-OD1 3.33Å; A88-N308 PolarHBondContact O-OD1 3.15Å; A88-K362 HydrophobicContact CB-CB 4.32Å; A88-V366 HydrophobicContact CB-CG2 3.73Å
89M98.4Very high97.5Very high51 Ų5143.4 Ų43.425%0.25126%0.263SS..Hα-helixtrans-62.7-47.3177-67.2172.7173.300112.3V17 L21 S84 S85 Y86 A91 D92 M93V17-M89 HydrophobicContact CG1-SD 3.98Å; L21-M89 HydrophobicContact CD1-CE 3.68Å; L21-M89 HydrophobicContact CD1-SD 4.09Å; S84-M89 WeakPolarHBondContact OG-CE 3.45Å; S85-M89 WeakPolarHBondContact O-CG 3.35Å; S85-M89 PolarHBondContact O-N 3.14Å; Y86-M89 HydrophobicContact CD1-SD 4.26Å; Y86-M89 PolarHBondContact O-N 2.98Å; M89-A91 VanDerWaalsContact C-N 3.29Å; M89-A91 PolarHBondContact O-N 2.82Å; M89-D92 PolarHBondContact O-N 2.97Å; M89-M93 PolarHBondContact O-N 3.43Å
90V98.4Very high97.5Very high75 Ų7539.1 Ų39.146%0.45525%0.25SC..Hα-helixtrans-66.1-35.2177.9176.30000111.1Y86 M93 L94 F365Y86-V90 WeakPolarHBondContact O-CG2 3.29Å; Y86-V90 PolarHBondContact O-N 3.21Å; V90-M93 HydrophobicContact CG1-CE 4.24Å; V90-M93 WeakPolarHBondContact O-CB 3.4Å; V90-M93 PolarHBondContact O-N 3.45Å; V90-L94 PolarHBondContact O-N 3.25Å; V90-L94 VanDerWaalsContact O-N 3.1Å; V90-F365 HydrophobicContact CG1-CE1 4.46Å
91A98.6Very high97.4Very high0 Ų042.7 Ų42.70%027%0.269CS..Hα-helixtrans-66.5-40.4173.900000112.6P87 A88 M89 M93 L94 C95 L361 K362 F365P87-A91 VanDerWaalsContact O-CB 3.32Å; P87-A91 WeakPolarHBondContact O-CB 3.18Å; P87-A91 PolarHBondContact O-N 3.07Å; P87-A91 VanDerWaalsContact O-N 3.09Å; A88-A91 PolarHBondContact O-N 3.44Å; M89-A91 VanDerWaalsContact C-N 3.29Å; M89-A91 PolarHBondContact O-N 2.82Å; A91-M93 VanDerWaalsContact C-N 3.33Å; A91-L94 PolarHBondContact O-N 3.29Å; A91-C95 WeakPolarHBondContact O-CB 3.36Å; A91-C95 PolarHBondContact O-N 3.04Å; A91-L361 HydrophobicContact CB-CG 4.46Å; A91-K362 VanDerWaalsContact CB-CA 3.47Å; A91-K362 HydrophobicContact CB-CB 3.71Å; A91-F365 HydrophobicContact CB-CB 3.86Å; A91-F365 HydrophobicContact CB-CD1 3.82Å; A91-F365 HydrophobicContact CB-CD2 3.92Å; A91-F365 HydrophobicContact CB-CE1 4.32Å; A91-F365 HydrophobicContact CB-CE2 4.42Å; A91-F365 HydrophobicContact CB-CG 3.61Å
92D97.9Very high97.4Very high33 Ų3342.5 Ų42.518%0.17627%0.267CS..Hα-helixtrans-69.2-30.8175.8-96.8-11.2000111.7A88 M89 C95 G96 N308 R357 K362A88-D92 PolarHBondContact O-N 2.84Å; M89-D92 PolarHBondContact O-N 2.97Å; D92-C95 WeakPolarHBondContact O-CB 3.5Å; D92-C95 PolarHBondContact O-N 3.4Å; D92-G96 PolarHBondContact O-N 2.89Å; D92-N308 PolarHBondContact OD2-ND2 2.84Å; D92-R357 IonicContact OD1-CZ 3.76Å; D92-R357 IonicContact OD1-NH1 2.75Å; D92-R357 PolarHBondContact OD1-NH1 3.32Å; D92-R357 IonicContact OD1-NH2 3.21Å; D92-R357 IonicContact OD2-NH1 2.76Å; D92-R357 IonicContact OD2-NH2 3.7Å; D92-K362 IonicContact OD1-NZ 3.71Å; D92-K362 IonicContact OD2-NZ 3.69Å; D92-K362 PolarHBondContact OD2-NZ 2.67Å; D92-K362 VanDerWaalsContact OD2-NZ 3.1Å
93M98.2Very high97.3Very high110 Ų11043.6 Ų43.654%0.54227%0.267SS..Hα-helixtrans-60.1-45.3168.4-179.5179.773.800111.4M89 V90 A91 G96 A97M89-M93 PolarHBondContact O-N 3.43Å; V90-M93 HydrophobicContact CG1-CE 4.24Å; V90-M93 WeakPolarHBondContact O-CB 3.4Å; V90-M93 PolarHBondContact O-N 3.45Å; A91-M93 VanDerWaalsContact C-N 3.33Å; M93-G96 PolarHBondContact O-N 2.8Å; M93-A97 PolarHBondContact O-N 3.24Å; M93-A97 VanDerWaalsContact O-N 3.1Å
94L98.4Very high97.2Very high74 Ų7443.4 Ų43.439%0.38727%0.265SS..Hα-helixtrans-67.1-39.2175-179.459.1000112.1V90 A91 G96 A97 I98 L361 F365V90-L94 PolarHBondContact O-N 3.25Å; V90-L94 VanDerWaalsContact O-N 3.1Å; A91-L94 PolarHBondContact O-N 3.29Å; L94-G96 VanDerWaalsContact C-N 3.28Å; L94-G96 PolarHBondContact O-N 3.03Å; L94-A97 PolarHBondContact O-N 3.29Å; L94-I98 HydrophobicContact CD1-CD1 4.2Å; L94-I98 HydrophobicContact CD1-CG1 4.23Å; L94-I98 HydrophobicContact CG-CD1 4.01Å; L94-I98 HydrophobicContact CG-CG1 4.47Å; L94-I98 WeakPolarHBondContact O-CG1 3.02Å; L94-I98 PolarHBondContact O-N 2.97Å; L94-L361 HydrophobicContact CB-CD2 4.09Å; L94-L361 HydrophobicContact CD2-CD2 3.98Å; L94-L361 HydrophobicContact CG-CD2 3.88Å; L94-F365 HydrophobicContact CD2-CZ 4.15Å
95C97.9Very high97.2Very high11 Ų1145.5 Ų45.57%0.07427%0.271CS..Hα-helixtrans-57.9-43.4174.1-178.90000110.9A91 D92 I98 G99 L361A91-C95 WeakPolarHBondContact O-CB 3.36Å; A91-C95 PolarHBondContact O-N 3.04Å; D92-C95 WeakPolarHBondContact O-CB 3.5Å; D92-C95 PolarHBondContact O-N 3.4Å; C95-I98 PolarHBondContact O-N 3.39Å; C95-G99 PolarHBondContact O-N 3.41Å; C95-L361 HydrophobicContact CB-CD2 4.27Å
96G97.3Very high97Very high60 Ų6047.7 Ų47.762%0.61929%0.289SS*.Hα-helixtrans-62.8-40.8176.100000112.7D92 M93 L94D92-G96 PolarHBondContact O-N 2.89Å; M93-G96 PolarHBondContact O-N 2.8Å; L94-G96 VanDerWaalsContact C-N 3.28Å; L94-G96 PolarHBondContact O-N 3.03Å
97A97.8Very high96.8Very high84 Ų8446 Ų4669%0.69429%0.291SS*.Hα-helixtrans-69-38.3177.400000113.5M93 L94M93-A97 PolarHBondContact O-N 3.24Å; M93-A97 VanDerWaalsContact O-N 3.1Å; L94-A97 PolarHBondContact O-N 3.29Å
98I98.1Very high96.7Very high80 Ų8046.4 Ų46.441%0.4129%0.294SS..Hα-helixtrans-67.5-41.4175.8-67.8169.6000110.5L94 C95 C100 F358 L361L94-I98 HydrophobicContact CD1-CD1 4.2Å; L94-I98 HydrophobicContact CD1-CG1 4.23Å; L94-I98 HydrophobicContact CG-CD1 4.01Å; L94-I98 HydrophobicContact CG-CG1 4.47Å; L94-I98 WeakPolarHBondContact O-CG1 3.02Å; L94-I98 PolarHBondContact O-N 2.97Å; C95-I98 PolarHBondContact O-N 3.39Å; I98-C100 HydrophobicContact CG2-CB 3.92Å; I98-C100 PolarHBondContact O-N 2.89Å; I98-F358 HydrophobicContact CD1-CD2 4.25Å; I98-F358 HydrophobicContact CD1-CE2 4.37Å; I98-F358 HydrophobicContact CG2-CD2 4.46Å; I98-L361 HydrophobicContact CD1-CD2 4.27Å
99G96.1Very high96.6Very high53 Ų5348.9 Ų48.955%0.54631%0.31SS..  trans60.718.6171.900000115.5C95C95-G99 PolarHBondContact O-N 3.41Å
100C97Very high96.6Very high26 Ų2649.1 Ų49.118%0.17632%0.321CS..  trans-78.3155.2-176.972.30000112.5I98 S108I98-C100 HydrophobicContact CG2-CB 3.92Å; I98-C100 PolarHBondContact O-N 2.89Å; C100-S108 PolarHBondContact SG-OG 3.17Å; C100-S108 VanDerWaalsContact SG-OG 3.4Å
101I96.9Very high96.5Very high87 Ų8745.6 Ų45.645%0.44630%0.299SS..  trans-117.8109.8175.2-49.4-62.3000109.2F103 A107 R356I101-F103 HydrophobicContact CB-CD1 4.42Å; I101-F103 HydrophobicContact CG2-CD1 3.8Å; I101-F103 HydrophobicContact CG2-CE1 4.49Å; I101-F103 PolarHBondContact O-N 2.87Å; I101-A107 VanDerWaalsContact O-CB 3.28Å; I101-A107 WeakPolarHBondContact O-CB 3.47Å; I101-R356 CarbonylContact C-O 3.59Å; I101-R356 WeakPolarHBondContact CA-O 3.35Å
102G95.3Very high96.4Very high0 Ų045.7 Ų45.70%030%0.3CS..  trans-94.449.7-173.300000114.6S104 R356G102-S104 VanDerWaalsContact C-N 3.3Å; G102-S104 PolarHBondContact O-N 3.33Å; G102-R356 PolarHBondContact N-O 2.77Å; G102-R356 WeakPolarHBondContact O-CD 3.18Å; G102-R356 WeakPolarHBondContact O-CG 3.34Å
103F93.6Very high96.4Very high54 Ų5448.4 Ų48.424%0.23731%0.311CS..SBendtrans-69.8-28.2179.757.1-105.6000113.1I101 A107 L333 R348 L354I101-F103 HydrophobicContact CB-CD1 4.42Å; I101-F103 HydrophobicContact CG2-CD1 3.8Å; I101-F103 HydrophobicContact CG2-CE1 4.49Å; I101-F103 PolarHBondContact O-N 2.87Å; F103-A107 HydrophobicContact CD1-CB 4.25Å; F103-A107 HydrophobicContact CD2-CB 4.18Å; F103-A107 HydrophobicContact CE1-CB 3.89Å; F103-A107 HydrophobicContact CE2-CB 3.8Å; F103-A107 HydrophobicContact CG-CB 4.37Å; F103-A107 HydrophobicContact CZ-CB 3.65Å; F103-L333 HydrophobicContact CD2-CD2 3.98Å; F103-L333 HydrophobicContact CE2-CD2 3.63Å; F103-L333 HydrophobicContact CZ-CD2 4.21Å; F103-R348 HydrophobicContact CB-CB 4.34Å; F103-R348 WeakPolarHBondContact O-CB 3.37Å; F103-R348 VanDerWaalsContact O-CG 3.25Å; F103-R348 WeakPolarHBondContact O-CG 3.18Å; F103-R348 PolarHBondContact O-N 2.89Å; F103-R348 VanDerWaalsContact O-N 3.14Å; F103-L354 HydrophobicContact CB-CD1 3.9Å; F103-L354 HydrophobicContact CB-CG 4.15Å; F103-L354 WeakPolarHBondContact CB-O 3.34Å; F103-L354 HydrophobicContact CD2-CD1 4.47Å; F103-L354 HydrophobicContact CG-CD1 4.23Å; F103-L354 HydrophobicContact CG-CG 4.4Å
104S93.1Very high96.4Very high4 Ų444.7 Ų44.73%0.02829%0.294CS..SBendtrans-132.716217161.60000109.3G102 A106 A107 D346G102-S104 VanDerWaalsContact C-N 3.3Å; G102-S104 PolarHBondContact O-N 3.33Å; S104-A106 PolarHBondContact O-N 2.97Å; S104-A107 PolarHBondContact O-N 2.83Å; S104-A107 VanDerWaalsContact O-N 3.17Å; S104-A107 PolarHBondContact OG-N 2.97Å; S104-D346 WeakPolarHBondContact CA-OD1 3.3Å; S104-D346 WeakPolarHBondContact CB-OD1 3.29Å
105W94.4Very high96.4Very high59 Ų5941.2 Ų41.222%0.22328%0.275CS..G310 helixtrans-56.6-42.6172.7179.897.1000111.5A107 S108 P109 T112 E113 N337 V344 D346W105-A107 PolarHBondContact O-N 3.05Å; W105-S108 CarbonylContact O-C 3.19Å; W105-S108 PolarHBondContact O-N 2.76Å; W105-P109 HydrophobicContact CD2-CB 4.16Å; W105-P109 HydrophobicContact CD2-CG 4.12Å; W105-P109 HydrophobicContact CE3-CG 4.2Å; W105-P109 HydrophobicContact CH2-CB 4.38Å; W105-P109 HydrophobicContact CH2-CG 4.03Å; W105-P109 HydrophobicContact CZ2-CB 3.82Å; W105-P109 HydrophobicContact CZ2-CG 3.98Å; W105-P109 HydrophobicContact CZ3-CG 4.14Å; W105-P109 VanDerWaalsContact O-CA 3.29Å; W105-P109 WeakPolarHBondContact O-CA 3.42Å; W105-P109 WeakPolarHBondContact O-CD 3.45Å; W105-P109 VanDerWaalsContact O-CG 3.32Å; W105-P109 WeakPolarHBondContact O-CG 3.5Å; W105-T112 HydrophobicContact CB-CG2 4.45Å; W105-E113 PolarHBondContact NE1-OE1 2.54Å; W105-N337 VanDerWaalsContact CZ3-ND2 3.26Å; W105-N337 WeakPolarHBondContact CZ3-ND2 3.5Å; W105-V344 HydrophobicContact CB-CG1 3.22Å; W105-V344 HydrophobicContact CD2-CG1 4.22Å; W105-V344 HydrophobicContact CG-CG1 3.51Å; W105-D346 PolarHBondContact N-OD1 3.39Å
106A94.1Very high96.3Very high49 Ų4941.8 Ų41.841%0.40528%0.278SS..G310 helixtrans-64.3-27.4-179.500000113.5S104 H335S104-A106 PolarHBondContact O-N 2.97Å; A106-H335 HydrophobicContact CB-CB 3.72Å
107A95Very high96.3Very high44 Ų4441.9 Ų41.936%0.36427%0.267SS..G310 helixtrans-71.3-34.3178.700000112.5I101 F103 S104 W105I101-A107 VanDerWaalsContact O-CB 3.28Å; I101-A107 WeakPolarHBondContact O-CB 3.47Å; F103-A107 HydrophobicContact CD1-CB 4.25Å; F103-A107 HydrophobicContact CD2-CB 4.18Å; F103-A107 HydrophobicContact CE1-CB 3.89Å; F103-A107 HydrophobicContact CE2-CB 3.8Å; F103-A107 HydrophobicContact CG-CB 4.37Å; F103-A107 HydrophobicContact CZ-CB 3.65Å; S104-A107 PolarHBondContact O-N 2.83Å; S104-A107 VanDerWaalsContact O-N 3.17Å; S104-A107 PolarHBondContact OG-N 2.97Å; W105-A107 PolarHBondContact O-N 3.05Å
108S96.6Very high96.4Very high20 Ų2037.9 Ų37.914%0.1423%0.234CC..  trans-164.295171.3-1710000110.1C100 W105 A110 C111 T112C100-S108 PolarHBondContact SG-OG 3.17Å; C100-S108 VanDerWaalsContact SG-OG 3.4Å; W105-S108 CarbonylContact O-C 3.19Å; W105-S108 PolarHBondContact O-N 2.76Å; S108-A110 VanDerWaalsContact C-N 3.31Å; S108-A110 PolarHBondContact O-N 3.43Å; S108-C111 VanDerWaalsContact O-CB 3.31Å; S108-C111 WeakPolarHBondContact O-CB 3.22Å; S108-C111 PolarHBondContact O-N 3.49Å; S108-T112 PolarHBondContact O-N 2.98Å
109P96Very high96.4Very high52 Ų5234.1 Ų34.134%0.33822%0.215SC..Hα-helixtrans-56.4-44.9-175.7-3136.8000112.6W105 C111 T112 E113W105-P109 HydrophobicContact CD2-CB 4.16Å; W105-P109 HydrophobicContact CD2-CG 4.12Å; W105-P109 HydrophobicContact CE3-CG 4.2Å; W105-P109 HydrophobicContact CH2-CB 4.38Å; W105-P109 HydrophobicContact CH2-CG 4.03Å; W105-P109 HydrophobicContact CZ2-CB 3.82Å; W105-P109 HydrophobicContact CZ2-CG 3.98Å; W105-P109 HydrophobicContact CZ3-CG 4.14Å; W105-P109 VanDerWaalsContact O-CA 3.29Å; W105-P109 WeakPolarHBondContact O-CA 3.42Å; W105-P109 WeakPolarHBondContact O-CD 3.45Å; W105-P109 VanDerWaalsContact O-CG 3.32Å; W105-P109 WeakPolarHBondContact O-CG 3.5Å; P109-C111 VanDerWaalsContact C-N 3.26Å; P109-C111 PolarHBondContact O-N 2.89Å; P109-T112 PolarHBondContact O-N 2.71Å; P109-T112 VanDerWaalsContact O-N 3.16Å; P109-E113 WeakPolarHBondContact O-CB 3.23Å; P109-E113 WeakPolarHBondContact O-CG 3.43Å; P109-E113 PolarHBondContact O-N 2.77Å
110A97.4Very high96.5Very high57 Ų5732.4 Ų32.447%0.47119%0.193SC..Hα-helixtrans-60.5-34.2178.900000113.1S108 L114 F358S108-A110 VanDerWaalsContact C-N 3.31Å; S108-A110 PolarHBondContact O-N 3.43Å; A110-L114 WeakPolarHBondContact O-CB 3.31Å; A110-L114 PolarHBondContact O-N 2.99Å; A110-L114 VanDerWaalsContact O-N 3.11Å; A110-F358 HydrophobicContact CB-CE2 4.34Å; A110-F358 HydrophobicContact CB-CZ 4.14Å; A110-F358 WeakPolarHBondContact O-CE1 3.31Å; A110-F358 WeakPolarHBondContact O-CZ 3.28Å
111C97.7Very high96.6Very high1 Ų136.6 Ų36.61%0.00721%0.205CC..Hα-helixtrans-62.3-45.5177.1-172.80000111.3S108 P109 E115 F358S108-C111 VanDerWaalsContact O-CB 3.31Å; S108-C111 WeakPolarHBondContact O-CB 3.22Å; S108-C111 PolarHBondContact O-N 3.49Å; P109-C111 VanDerWaalsContact C-N 3.26Å; P109-C111 PolarHBondContact O-N 2.89Å; C111-E115 WeakPolarHBondContact O-CB 3.3Å; C111-E115 PolarHBondContact O-N 2.94Å; C111-F358 HydrophobicContact CB-CD1 4.2Å; C111-F358 HydrophobicContact CB-CE1 4.45Å; C111-F358 HydrophobicContact CB-CG 4.26Å
112T96.5Very high96.7Very high2 Ų232.5 Ų32.51%0.01218%0.184CC..Hα-helixtrans-72.7-53.7179.1-66.30000111.6W105 S108 P109 L114 E115 T116 T345 Y347W105-T112 HydrophobicContact CB-CG2 4.45Å; S108-T112 PolarHBondContact O-N 2.98Å; P109-T112 PolarHBondContact O-N 2.71Å; P109-T112 VanDerWaalsContact O-N 3.16Å; T112-L114 PolarHBondContact O-N 3.21Å; T112-E115 PolarHBondContact O-N 3.41Å; T112-E115 VanDerWaalsContact O-N 3.11Å; T112-T116 PolarHBondContact O-N 3.02Å; T112-T116 PolarHBondContact O-OG1 2.67Å; T112-T345 WeakPolarHBondContact CG2-O 3.47Å; T112-Y347 HydrophobicContact CG2-CD2 3.97Å; T112-Y347 HydrophobicContact CG2-CE2 3.94Å
113E96.2Very high96.9Very high89 Ų8932.5 Ų32.542%0.41618%0.184SC..Hα-helixtrans-60.5-45.4-173.4-66.2-76.7-177.600111.6W105 P109 E115 T116 V117W105-E113 PolarHBondContact NE1-OE1 2.54Å; P109-E113 WeakPolarHBondContact O-CB 3.23Å; P109-E113 WeakPolarHBondContact O-CG 3.43Å; P109-E113 PolarHBondContact O-N 2.77Å; E113-E115 VanDerWaalsContact C-N 3.31Å; E113-E115 PolarHBondContact O-N 3.2Å; E113-T116 PolarHBondContact O-N 3.37Å; E113-V117 WeakPolarHBondContact O-CG2 3.31Å; E113-V117 PolarHBondContact O-N 3.14Å
114L98.3Very high97.1Very high33 Ų3335.4 Ų35.417%0.17320%0.196CC..Hα-helixtrans-66.5-35.1178.5-174.364.9000111.5A110 T112 V117 M118 F358 L361 W364A110-L114 WeakPolarHBondContact O-CB 3.31Å; A110-L114 PolarHBondContact O-N 2.99Å; A110-L114 VanDerWaalsContact O-N 3.11Å; T112-L114 PolarHBondContact O-N 3.21Å; L114-V117 PolarHBondContact O-N 2.87Å; L114-M118 HydrophobicContact CD1-CE 4.13Å; L114-M118 HydrophobicContact CD1-CG 4.14Å; L114-M118 HydrophobicContact CG-CG 4.13Å; L114-M118 VanDerWaalsContact O-CB 3.31Å; L114-M118 WeakPolarHBondContact O-CB 3.49Å; L114-M118 WeakPolarHBondContact O-CG 3.36Å; L114-M118 PolarHBondContact O-N 3.38Å; L114-F358 HydrophobicContact CB-CE1 3.92Å; L114-F358 HydrophobicContact CB-CZ 4.25Å; L114-F358 HydrophobicContact CD2-CE1 3.59Å; L114-F358 HydrophobicContact CD2-CZ 3.8Å; L114-F358 HydrophobicContact CG-CE1 4.28Å; L114-L361 HydrophobicContact CD2-CD1 4.22Å; L114-W364 HydrophobicContact CD1-CB 4.28Å; L114-W364 HydrophobicContact CD1-CD2 4.46Å; L114-W364 HydrophobicContact CD1-CG 3.97Å; L114-W364 HydrophobicContact CD2-CB 4.14Å; L114-W364 HydrophobicContact CD2-CG 4.35Å
115E98.5Very high97.4Very high1 Ų136.3 Ų36.31%0.00520%0.201CC..Hα-helixtrans-63.6-46.4175.6-173.8161.1139.200111.8C111 T112 E113 V117 M118 L119 I144 Y347 R356 S360C111-E115 WeakPolarHBondContact O-CB 3.3Å; C111-E115 PolarHBondContact O-N 2.94Å; T112-E115 PolarHBondContact O-N 3.41Å; T112-E115 VanDerWaalsContact O-N 3.11Å; E113-E115 VanDerWaalsContact C-N 3.31Å; E113-E115 PolarHBondContact O-N 3.2Å; E115-V117 PolarHBondContact O-N 3.09Å; E115-M118 PolarHBondContact O-N 3.27Å; E115-L119 HydrophobicContact CG-CD1 4.34Å; E115-L119 WeakPolarHBondContact O-CG 3.2Å; E115-L119 PolarHBondContact O-N 2.93Å; E115-I144 HydrophobicContact CG-CD1 3.77Å; E115-I144 HydrophobicContact CG-CG1 3.8Å; E115-I144 PolarHBondContact OE1-N 3.43Å; E115-Y347 HydrophobicContact CB-CE2 3.92Å; E115-Y347 HydrophobicContact CG-CE2 4.01Å; E115-R356 IonicContact OE1-CZ 3.22Å; E115-R356 IonicContact OE1-NH1 2.67Å; E115-R356 PolarHBondContact OE1-NH1 2.91Å; E115-R356 IonicContact OE2-NH1 3.33Å; E115-R356 PolarHBondContact OE2-NH1 3.19Å; E115-R356 VanDerWaalsContact OE2-NH1 3.11Å; E115-S360 PolarHBondContact N-OG 3.44Å
116T96.9Very high97.6Very high22 Ų2233.6 Ų33.614%0.13519%0.19CC..Hα-helixtrans-55.4-50.8174.5-53.10000111.1T112 E113 M118 L119 D120 A134 Y347T112-T116 PolarHBondContact O-N 3.02Å; T112-T116 PolarHBondContact O-OG1 2.67Å; E113-T116 PolarHBondContact O-N 3.37Å; T116-M118 PolarHBondContact O-N 2.89Å; T116-L119 PolarHBondContact O-N 3.37Å; T116-D120 PolarHBondContact O-N 3.39Å; T116-A134 HydrophobicContact CG2-CB 3.68Å; T116-Y347 PolarHBondContact N-OH 3.25Å; T116-Y347 PolarHBondContact OG1-OH 2.97Å
117V97.6Very high97.8Very high62 Ų6237.2 Ų37.238%0.37620%0.199SC..Hα-helixtrans-64.5-41.4-179177.30000111.7E113 L114 E115 L119 D120 W121E113-V117 WeakPolarHBondContact O-CG2 3.31Å; E113-V117 PolarHBondContact O-N 3.14Å; L114-V117 PolarHBondContact O-N 2.87Å; E115-V117 PolarHBondContact O-N 3.09Å; V117-L119 VanDerWaalsContact C-N 3.34Å; V117-L119 PolarHBondContact O-N 3Å; V117-D120 PolarHBondContact O-N 2.86Å; V117-W121 VanDerWaalsContact O-CD1 3.28Å; V117-W121 PolarHBondContact O-N 2.77Å
118M98.7Very high97.9Very high1 Ų135.8 Ų35.81%0.00519%0.185CC..Hα-helixtrans-66.7-35.4179.3-72.1-5492.800112.6L114 E115 T116 W121 L122 L363 W364 F367L114-M118 HydrophobicContact CD1-CE 4.13Å; L114-M118 HydrophobicContact CD1-CG 4.14Å; L114-M118 HydrophobicContact CG-CG 4.13Å; L114-M118 VanDerWaalsContact O-CB 3.31Å; L114-M118 WeakPolarHBondContact O-CB 3.49Å; L114-M118 WeakPolarHBondContact O-CG 3.36Å; L114-M118 PolarHBondContact O-N 3.38Å; E115-M118 PolarHBondContact O-N 3.27Å; T116-M118 PolarHBondContact O-N 2.89Å; M118-W121 HydrophobicContact CE-CD2 3.72Å; M118-W121 HydrophobicContact CE-CE3 3.61Å; M118-W121 HydrophobicContact CE-CG 4.22Å; M118-W121 HydrophobicContact CE-CH2 4.36Å; M118-W121 HydrophobicContact CE-CZ2 4.44Å; M118-W121 HydrophobicContact CE-CZ3 3.95Å; M118-W121 PolarHBondContact O-N 2.77Å; M118-W121 HydrophobicContact SD-CE3 4.21Å; M118-L122 VanDerWaalsContact O-CB 3.29Å; M118-L122 WeakPolarHBondContact O-CB 3.41Å; M118-L122 PolarHBondContact O-N 3.31Å; M118-L363 HydrophobicContact CB-CB 4.37Å; M118-L363 HydrophobicContact CB-CD1 4.42Å; M118-L363 HydrophobicContact CG-CB 4.32Å; M118-W364 HydrophobicContact CE-CG 4.49Å; M118-W364 HydrophobicContact CG-CB 4.19Å; M118-W364 VanDerWaalsContact SD-CA 3.5Å; M118-W364 HydrophobicContact SD-CB 3.67Å; M118-W364 HydrophobicContact SD-CG 4.07Å; M118-F367 HydrophobicContact SD-CD2 4.05Å
119L98.7Very high98Very high1 Ų136.2 Ų36.21%0.00519%0.187CC..Hα-helixtrans-79.9-25.7177-64.7-168.6000113.6E115 T116 V117 L122 G123 I144 A313 W315 L363E115-L119 HydrophobicContact CG-CD1 4.34Å; E115-L119 WeakPolarHBondContact O-CG 3.2Å; E115-L119 PolarHBondContact O-N 2.93Å; T116-L119 PolarHBondContact O-N 3.37Å; V117-L119 VanDerWaalsContact C-N 3.34Å; V117-L119 PolarHBondContact O-N 3Å; L119-L122 HydrophobicContact CD2-CD2 4.18Å; L119-G123 PolarHBondContact O-N 2.84Å; L119-I144 HydrophobicContact CD1-CG1 3.9Å; L119-I144 HydrophobicContact CD2-CG1 4.08Å; L119-I144 HydrophobicContact CG-CG1 4.22Å; L119-A313 HydrophobicContact CD2-CB 3.93Å; L119-W315 HydrophobicContact CB-CZ2 4.29Å; L119-W315 HydrophobicContact CD2-CH2 4.41Å; L119-W315 HydrophobicContact CD2-CZ2 4.06Å; L119-W315 PolarHBondContact O-NE1 3.46Å; L119-W315 VanDerWaalsContact O-NE1 3.15Å; L119-L363 HydrophobicContact CD2-CD1 4.24Å
120D98.5Very high98Very high16 Ų1640.1 Ų40.19%0.08620%0.201CC..Hα-helixtrans-67.5-44.3165.5-84.711.2000111.3T116 V117 G123 K124 I133 A134 G135T116-D120 PolarHBondContact O-N 3.39Å; V117-D120 PolarHBondContact O-N 2.86Å; D120-G123 PolarHBondContact O-N 3.24Å; D120-K124 WeakPolarHBondContact O-CB 3.49Å; D120-K124 WeakPolarHBondContact O-CD 3.31Å; D120-K124 WeakPolarHBondContact O-CG 3.49Å; D120-K124 PolarHBondContact O-N 2.93Å; D120-I133 HydrophobicContact CB-CG2 4.22Å; D120-I133 VanDerWaalsContact CG-CG2 3.48Å; D120-I133 WeakPolarHBondContact OD1-CG2 3.43Å; D120-I133 WeakPolarHBondContact OD2-CG2 3.45Å; D120-A134 WeakPolarHBondContact OD1-CB 3.48Å; D120-A134 PolarHBondContact OD1-N 3.03Å; D120-G135 PolarHBondContact OD2-N 3.21Å
121W98.8Very high98Very high115 Ų11539.3 Ų39.344%0.43619%0.192SC..Hα-helixtrans-59-48.6174.6-80.222.5000111.2V117 M118 K124 M125 F367V117-W121 VanDerWaalsContact O-CD1 3.28Å; V117-W121 PolarHBondContact O-N 2.77Å; M118-W121 HydrophobicContact CE-CD2 3.72Å; M118-W121 HydrophobicContact CE-CE3 3.61Å; M118-W121 HydrophobicContact CE-CG 4.22Å; M118-W121 HydrophobicContact CE-CH2 4.36Å; M118-W121 HydrophobicContact CE-CZ2 4.44Å; M118-W121 HydrophobicContact CE-CZ3 3.95Å; M118-W121 PolarHBondContact O-N 2.77Å; M118-W121 HydrophobicContact SD-CE3 4.21Å; W121-K124 PolarHBondContact O-N 3.07Å; W121-M125 VanDerWaalsContact O-CG 3.28Å; W121-M125 WeakPolarHBondContact O-CG 3.42Å; W121-M125 PolarHBondContact O-N 3.12Å; W121-F367 HydrophobicContact CE3-CD2 4.42Å
122L98.9Very high98Very high0 Ų039.3 Ų39.30%019%0.192CC..Hα-helixtrans-66.2-43-179.2-173.753.9000111.9M118 L119 K124 M125 L126 F299 P301 L305 A313 W315 F367M118-L122 VanDerWaalsContact O-CB 3.29Å; M118-L122 WeakPolarHBondContact O-CB 3.41Å; M118-L122 PolarHBondContact O-N 3.31Å; L119-L122 HydrophobicContact CD2-CD2 4.18Å; L122-K124 VanDerWaalsContact C-N 3.28Å; L122-K124 PolarHBondContact O-N 3.13Å; L122-M125 HydrophobicContact CD1-SD 4.33Å; L122-M125 WeakPolarHBondContact O-CB 3.36Å; L122-M125 PolarHBondContact O-N 3.36Å; L122-M125 VanDerWaalsContact O-N 3.17Å; L122-L126 VanDerWaalsContact O-CG 3.3Å; L122-L126 WeakPolarHBondContact O-CG 3.4Å; L122-L126 PolarHBondContact O-N 2.69Å; L122-F299 HydrophobicContact CD1-CE1 4.4Å; L122-F299 HydrophobicContact CD1-CZ 3.91Å; L122-F299 HydrophobicContact CD2-CE1 3.85Å; L122-F299 HydrophobicContact CD2-CZ 3.73Å; L122-F299 HydrophobicContact CG-CE1 4.07Å; L122-F299 HydrophobicContact CG-CZ 4.01Å; L122-P301 HydrophobicContact CD2-CG 4.1Å; L122-L305 HydrophobicContact CD1-CD2 3.92Å; L122-A313 HydrophobicContact CD2-CB 4.03Å; L122-W315 HydrophobicContact CB-CH2 4.31Å; L122-W315 HydrophobicContact CB-CZ2 3.99Å; L122-W315 HydrophobicContact CD2-CH2 3.63Å; L122-W315 HydrophobicContact CD2-CZ2 4.09Å; L122-W315 HydrophobicContact CG-CH2 3.76Å; L122-W315 HydrophobicContact CG-CZ2 3.96Å; L122-F367 HydrophobicContact CB-CE2 4.09Å; L122-F367 HydrophobicContact CB-CZ 4.14Å; L122-F367 HydrophobicContact CD1-CE1 4.46Å; L122-F367 HydrophobicContact CD1-CE2 4.39Å; L122-F367 HydrophobicContact CD1-CZ 3.71Å; L122-F367 HydrophobicContact CD2-CZ 4.13Å; L122-F367 HydrophobicContact CG-CZ 4.22Å
123G98.7Very high98.1Very high0 Ų039.3 Ų39.30%019%0.192CC..Hα-helixtrans-58.6-40.4173.900000112.3L119 D120 L126 H127 L128L119-G123 PolarHBondContact O-N 2.84Å; D120-G123 PolarHBondContact O-N 3.24Å; G123-L126 PolarHBondContact O-N 2.86Å; G123-H127 PolarHBondContact O-N 3Å; G123-H127 VanDerWaalsContact O-N 3.12Å; G123-L128 PolarHBondContact O-N 3.18Å
124K98.5Very high98Very high115 Ų11535.6 Ų35.650%0.518%0.176SC..Hα-helixtrans-67.8-38.7174.4-71.7168.5-174.8174.80112.8D120 W121 L122 L126 H127 I133D120-K124 WeakPolarHBondContact O-CB 3.49Å; D120-K124 WeakPolarHBondContact O-CD 3.31Å; D120-K124 WeakPolarHBondContact O-CG 3.49Å; D120-K124 PolarHBondContact O-N 2.93Å; W121-K124 PolarHBondContact O-N 3.07Å; L122-K124 VanDerWaalsContact C-N 3.28Å; L122-K124 PolarHBondContact O-N 3.13Å; K124-L126 PolarHBondContact O-N 3.1Å; K124-H127 PolarHBondContact O-CD2 3.18Å; K124-H127 VanDerWaalsContact O-CD2 3.24Å; K124-H127 PolarHBondContact O-N 3.47Å; K124-H127 VanDerWaalsContact O-N 3.1Å; K124-I133 HydrophobicContact CG-CD1 4.37Å
125M98.6Very high97.5Very high24 Ų2436 Ų3612%0.11819%0.188CC..Hα-helixtrans-60.6-36174.4-70.716666.900111.9W121 L122 H127 I280 R285 F367 L372 L375W121-M125 VanDerWaalsContact O-CG 3.28Å; W121-M125 WeakPolarHBondContact O-CG 3.42Å; W121-M125 PolarHBondContact O-N 3.12Å; L122-M125 HydrophobicContact CD1-SD 4.33Å; L122-M125 WeakPolarHBondContact O-CB 3.36Å; L122-M125 PolarHBondContact O-N 3.36Å; L122-M125 VanDerWaalsContact O-N 3.17Å; M125-H127 VanDerWaalsContact C-N 3.34Å; M125-I280 HydrophobicContact CB-CG2 4.08Å; M125-I280 HydrophobicContact CE-CD1 4.44Å; M125-I280 HydrophobicContact CE-CG2 4.27Å; M125-R285 PolarHBondContact O-NH2 3.15Å; M125-F367 HydrophobicContact SD-CE2 4.44Å; M125-L372 HydrophobicContact CB-CD1 4.34Å; M125-L372 HydrophobicContact CE-CB 4.44Å; M125-L372 HydrophobicContact CE-CD1 3.5Å; M125-L372 HydrophobicContact CG-CD1 4.14Å; M125-L375 HydrophobicContact CE-CD1 3.86Å
126L98.6Very high96.6Very high1 Ų141.4 Ų41.41%0.00522%0.222CC..Hα-helixtrans-79.2-12.7176.6-65.6171.8000114L122 G123 K124 L128 G276 F279 I280 F297 F299 W315L122-L126 VanDerWaalsContact O-CG 3.3Å; L122-L126 WeakPolarHBondContact O-CG 3.4Å; L122-L126 PolarHBondContact O-N 2.69Å; G123-L126 PolarHBondContact O-N 2.86Å; K124-L126 PolarHBondContact O-N 3.1Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 HydrophobicContact CB-CD2 4.27Å; L126-L128 HydrophobicContact CB-CG 3.94Å; L126-L128 HydrophobicContact CD1-CD1 4.11Å; L126-L128 HydrophobicContact CD1-CD2 4.42Å; L126-L128 HydrophobicContact CD1-CG 4.14Å; L126-G276 WeakPolarHBondContact CD2-O 3.19Å; L126-F279 HydrophobicContact CD2-CB 3.82Å; L126-I280 HydrophobicContact CD2-CG2 3.79Å; L126-I280 HydrophobicContact CG-CG2 4.42Å; L126-F297 HydrophobicContact CD1-CE1 3.85Å; L126-F297 HydrophobicContact CD1-CZ 4.43Å; L126-F299 HydrophobicContact CD1-CD1 4.16Å; L126-F299 HydrophobicContact CD1-CE1 3.61Å; L126-F299 HydrophobicContact CD1-CZ 4.4Å; L126-F299 HydrophobicContact CD2-CE1 4.44Å; L126-W315 HydrophobicContact CD1-CH2 4.11Å; L126-W315 HydrophobicContact CD1-CZ3 4.37Å
127H98.2Very high95.8Very high126 Ų12646.9 Ų46.958%0.58325%0.246SC*.THydrogen-bonded Turntrans5841.2-167.5-72.2-145000112.9G123 K124 M125 R285G123-H127 PolarHBondContact O-N 3Å; G123-H127 VanDerWaalsContact O-N 3.12Å; K124-H127 PolarHBondContact O-CD2 3.18Å; K124-H127 VanDerWaalsContact O-CD2 3.24Å; K124-H127 PolarHBondContact O-N 3.47Å; K124-H127 VanDerWaalsContact O-N 3.1Å; M125-H127 VanDerWaalsContact C-N 3.34Å; H127-R285 PolarHBondContact CD2-NH1 2.9Å; H127-R285 PolarHBondContact CD2-NH2 2.9Å; H127-R285 PolarHBondContact CE1-NH1 2.96Å; H127-R285 PolarHBondContact ND1-NH1 3.1Å; H127-R285 PolarHBondContact NE2-NH1 3.29Å; H127-R285 PolarHBondContact NE2-NH2 3.4Å
128L98.6Very high95.2Very high13 Ų1344.7 Ų44.77%0.06824%0.236CC..  trans-63.1148.7171.1-64.9-176.4000110.9G123 L126 F132 L288 I291 F297 W315G123-L128 PolarHBondContact O-N 3.18Å; L126-L128 VanDerWaalsContact C-N 3.33Å; L126-L128 HydrophobicContact CB-CD2 4.27Å; L126-L128 HydrophobicContact CB-CG 3.94Å; L126-L128 HydrophobicContact CD1-CD1 4.11Å; L126-L128 HydrophobicContact CD1-CD2 4.42Å; L126-L128 HydrophobicContact CD1-CG 4.14Å; L128-F132 HydrophobicContact CB-CB 4.3Å; L128-F132 HydrophobicContact CB-CD2 4.42Å; L128-F132 HydrophobicContact CD1-CB 4.39Å; L128-L288 HydrophobicContact CD2-CD2 4.18Å; L128-I291 HydrophobicContact CD2-CD1 4.42Å; L128-I291 HydrophobicContact CD2-CG1 3.97Å; L128-F297 HydrophobicContact CD1-CD1 4.05Å; L128-F297 HydrophobicContact CD1-CE1 4.33Å; L128-F297 HydrophobicContact CD2-CD1 4.06Å; L128-F297 HydrophobicContact CD2-CE1 4.13Å; L128-W315 HydrophobicContact CD1-CB 4.46Å; L128-W315 HydrophobicContact CD1-CD2 3.67Å; L128-W315 HydrophobicContact CD1-CE3 4.06Å; L128-W315 HydrophobicContact CD1-CG 3.87Å; L128-W315 HydrophobicContact CD1-CZ2 4.43Å
129P98.1Very high94.8Very high29 Ų2951.5 Ų51.519%0.18827%0.267CS..  trans-51.5144171.7-26.730.8000112.7S131 F132 I291 E292P129-S131 PolarHBondContact O-N 3.43Å; P129-F132 HydrophobicContact CB-CD2 4.02Å; P129-F132 HydrophobicContact CB-CE2 4.45Å; P129-F132 HydrophobicContact CG-CD2 4Å; P129-F132 HydrophobicContact CG-CE2 4.09Å; P129-F132 WeakPolarHBondContact O-CB 3.48Å; P129-F132 PolarHBondContact O-N 3.23Å; P129-I291 HydrophobicContact CG-CG2 4.08Å; P129-E292 HydrophobicContact CG-CB 4.16Å
130E97.1Very high94.6Very high134 Ų13451.5 Ų51.563%0.62627%0.267SS*.G310 helixtrans-55-27.8179.6-170.861.3-156.900112.4F132 I133E130-F132 PolarHBondContact O-N 3.04Å; E130-F132 VanDerWaalsContact O-N 3.11Å; E130-I133 WeakPolarHBondContact O-CB 3.38Å; E130-I133 PolarHBondContact O-N 3.5Å
131S96.8Very high94.6Very high41 Ų4150.9 Ų50.929%0.28726%0.264SS..G310 helixtrans-62.4-15.5174.958.10000114.7P129 G140 K317P129-S131 PolarHBondContact O-N 3.43Å; S131-G140 VanDerWaalsContact O-CA 3.3Å; S131-G140 WeakPolarHBondContact O-CA 3.49Å; S131-K317 VanDerWaalsContact O-O 3.14Å
132F98.3Very high94.5Very high0 Ų045.5 Ų45.50%025%0.245CC..G310 helixtrans-94.3-12.6172.5-71.1-69.4000113.2L128 P129 E130 G141 I291 A294 W315 K317L128-F132 HydrophobicContact CB-CB 4.3Å; L128-F132 HydrophobicContact CB-CD2 4.42Å; L128-F132 HydrophobicContact CD1-CB 4.39Å; P129-F132 HydrophobicContact CB-CD2 4.02Å; P129-F132 HydrophobicContact CB-CE2 4.45Å; P129-F132 HydrophobicContact CG-CD2 4Å; P129-F132 HydrophobicContact CG-CE2 4.09Å; P129-F132 WeakPolarHBondContact O-CB 3.48Å; P129-F132 PolarHBondContact O-N 3.23Å; E130-F132 PolarHBondContact O-N 3.04Å; E130-F132 VanDerWaalsContact O-N 3.11Å; F132-G141 CarbonylContact O-C 3.48Å; F132-G141 VanDerWaalsContact O-CA 3.22Å; F132-G141 WeakPolarHBondContact O-CA 3.42Å; F132-G141 PolarHBondContact O-N 2.97Å; F132-I291 HydrophobicContact CE2-CD1 4.34Å; F132-I291 HydrophobicContact CE2-CG1 4.26Å; F132-A294 HydrophobicContact CZ-CB 4.23Å; F132-A294 WeakPolarHBondContact CZ-O 3.37Å; F132-W315 HydrophobicContact CB-CB 4.11Å; F132-W315 HydrophobicContact CB-CG 4.37Å; F132-W315 HydrophobicContact CD1-CB 3.6Å; F132-W315 HydrophobicContact CE1-CB 4.34Å; F132-W315 HydrophobicContact CG-CB 4.14Å; F132-W315 VanDerWaalsContact O-CD1 3.32Å; F132-K317 HydrophobicContact CD1-CB 4.36Å; F132-K317 HydrophobicContact CE1-CB 3.88Å; F132-K317 VanDerWaalsContact CE1-N 3.32Å; F132-K317 HydrophobicContact CZ-CB 4.19Å
133I97.3Very high94.5Very high2 Ų245.5 Ų45.51%0.0125%0.245CC..  trans-84133.4-178.8-53.7-55.1000108.5D120 K124 E130D120-I133 HydrophobicContact CB-CG2 4.22Å; D120-I133 VanDerWaalsContact CG-CG2 3.48Å; D120-I133 WeakPolarHBondContact OD1-CG2 3.43Å; D120-I133 WeakPolarHBondContact OD2-CG2 3.45Å; K124-I133 HydrophobicContact CG-CD1 4.37Å; E130-I133 WeakPolarHBondContact O-CB 3.38Å; E130-I133 PolarHBondContact O-N 3.5Å
134A94.2Very high94.5Very high12 Ų1245.5 Ų45.510%0.09925%0.245CC..  trans-69.6-48.6179.800000110.2T116 D120 G138T116-A134 HydrophobicContact CG2-CB 3.68Å; D120-A134 WeakPolarHBondContact OD1-CB 3.48Å; D120-A134 PolarHBondContact OD1-N 3.03Å; A134-G138 WeakPolarHBondContact O-CA 3.23Å; A134-G138 PolarHBondContact O-N 3.11Å
135G88.1Confident94.5Very high41 Ų4140.2 Ų40.242%0.42322%0.222SC..THydrogen-bonded Turntrans50.8-153.5179.500000112.6D120D120-G135 PolarHBondContact OD2-N 3.21Å
136T79.8Confident94.5Very high115 Ų11539.3 Ų39.371%0.70622%0.219SC*.THydrogen-bonded Turntrans-91.7-28.5175.253.20000113
137Q80.5Confident94.5Very high137 Ų13741 Ų4164%0.6423%0.229SC*.THydrogen-bonded Turntrans-130.69.5-174.8-61.7-62.6-40.700112.3
138G84.4Confident94.5Very high16 Ų1635.3 Ų35.317%0.16520%0.204CC..  trans-64.9149.3-178.300000111.8A134 R319A134-G138 WeakPolarHBondContact O-CA 3.23Å; A134-G138 PolarHBondContact O-N 3.11Å; G138-R319 VanDerWaalsContact O-CZ 3.27Å; G138-R319 PolarHBondContact O-NE 3.23Å; G138-R319 PolarHBondContact O-NH2 3.45Å
139H90.1Very high94.6Very high144 Ų14437.1 Ų37.167%0.66722%0.218SC*.SBendtrans-102.3-5.8177.5-59.6-53.9000112.9K318 R319H139-K318 CarbonylContact O-C 3.45Å; H139-K318 WeakPolarHBondContact O-CA 3.32Å; H139-R319 VanDerWaalsContact O-CG 3.31Å; H139-R319 WeakPolarHBondContact O-CG 3.48Å; H139-R319 PolarHBondContact O-N 2.79Å
140G95.8Very high94.6Very high1 Ų139.1 Ų39.11%0.0123%0.225CC..  trans-103.4-154.1169.200000111.8S131 V316 K317S131-G140 VanDerWaalsContact O-CA 3.3Å; S131-G140 WeakPolarHBondContact O-CA 3.49Å; G140-V316 CarbonylContact C-O 3.58Å; G140-V316 WeakPolarHBondContact CA-O 3.32Å; G140-K317 WeakPolarHBondContact CA-O 3.12Å
141G97.1Very high94.7Very high2 Ų232.8 Ų32.82%0.02120%0.195CC..EExtended strand (participates in β ladder)trans154.5169.717400000112.1F132 W315 V316F132-G141 CarbonylContact O-C 3.48Å; F132-G141 VanDerWaalsContact O-CA 3.22Å; F132-G141 WeakPolarHBondContact O-CA 3.42Å; F132-G141 PolarHBondContact O-N 2.97Å; G141-W315 WeakPolarHBondContact O-CA 3.26Å; G141-V316 PolarHBondContact N-O 2.8Å; G141-V316 VanDerWaalsContact N-O 3.12Å; G141-V316 PolarHBondContact O-N 3.17Å
142G98.1Very high94.8Very high2 Ų230.8 Ų30.82%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-103.4153.317400000113.1M314 Y347G142-M314 CarbonylContact C-O 3.53Å; G142-M314 VanDerWaalsContact CA-O 3.22Å; G142-M314 WeakPolarHBondContact CA-O 3.42Å; G142-Y347 VanDerWaalsContact O-CE1 3.28Å; G142-Y347 WeakPolarHBondContact O-CE1 3.45Å; G142-Y347 PolarHBondContact O-OH 3.47Å
143V98.5Very high94.8Very high1 Ų131.6 Ų31.61%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-137.6145.3167.158.90000110.7Q145 M314 Y347 W350V143-Q145 VanDerWaalsContact CG1-NE2 3.28Å; V143-M314 HydrophobicContact CG1-CB 4.23Å; V143-M314 PolarHBondContact N-O 3.05Å; V143-M314 PolarHBondContact O-N 3.36Å; V143-Y347 HydrophobicContact CB-CD1 3.92Å; V143-Y347 HydrophobicContact CB-CE1 3.77Å; V143-Y347 HydrophobicContact CG2-CD1 3.58Å; V143-Y347 HydrophobicContact CG2-CE1 3.91Å; V143-Y347 HydrophobicContact CG2-CG 4.39Å; V143-W350 HydrophobicContact CB-CB 4.17Å; V143-W350 HydrophobicContact CB-CE3 4.19Å; V143-W350 HydrophobicContact CG1-CB 4.25Å; V143-W350 HydrophobicContact CG1-CE3 4.08Å; V143-W350 HydrophobicContact CG2-CB 3.98Å
144I98.8Very high94.8Very high0 Ų031.5 Ų31.50%019%0.185CC..EExtended strand (participates in β ladder)trans-90.3117172.7-52.6172.2000109.4E115 L119 S312 R356 R359 L363E115-I144 HydrophobicContact CG-CD1 3.77Å; E115-I144 HydrophobicContact CG-CG1 3.8Å; E115-I144 PolarHBondContact OE1-N 3.43Å; L119-I144 HydrophobicContact CD1-CG1 3.9Å; L119-I144 HydrophobicContact CD2-CG1 4.08Å; L119-I144 HydrophobicContact CG-CG1 4.22Å; I144-S312 CarbonylContact C-O 3.57Å; I144-S312 WeakPolarHBondContact CA-O 3.23Å; I144-R356 PolarHBondContact O-NH1 3.18Å; I144-R356 PolarHBondContact O-NH2 3.28Å; I144-R359 HydrophobicContact CB-CB 4.41Å; I144-R359 HydrophobicContact CD1-CB 3.98Å; I144-R359 HydrophobicContact CG2-CB 3.95Å; I144-R359 VanDerWaalsContact CG2-CD 3.46Å; I144-R359 HydrophobicContact CG2-CG 4.38Å; I144-R359 PolarHBondContact O-NH1 3.45Å; I144-L363 HydrophobicContact CD1-CD1 3.56Å; I144-L363 HydrophobicContact CG1-CD1 4.27Å
145Q98.5Very high95.1Very high3 Ų330.9 Ų30.91%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-94168.9170.4-54.3-60.5-11.800111.3V143 E150 A151 S312 M314 W350V143-Q145 VanDerWaalsContact CG1-NE2 3.28Å; Q145-E150 HydrophobicContact CB-CB 4.43Å; Q145-A151 HydrophobicContact CG-CB 4.17Å; Q145-S312 PolarHBondContact N-O 3.02Å; Q145-S312 PolarHBondContact O-N 3.49Å; Q145-M314 HydrophobicContact CG-CB 4.19Å; Q145-M314 HydrophobicContact CG-SD 4.4Å; Q145-W350 PolarHBondContact NE2-O 2.71Å
146G98.2Very high95.6Very high5 Ų529 Ų295%0.05216%0.16CC..SBendtrans-71.6-42.3171.900000111.6E150G146-E150 VanDerWaalsContact CA-OE2 3.22Å; G146-E150 WeakPolarHBondContact CA-OE2 3.26Å; G146-E150 PolarHBondContact N-OE2 2.93Å
147T98.8Very high96.5Very high36 Ų3624.6 Ų24.622%0.22113%0.132CC..  trans-141.4160.4-176.567.70000113.5S149 E150 A151 F309 S312T147-S149 PolarHBondContact O-N 3.3Å; T147-S149 PolarHBondContact OG1-N 3Å; T147-E150 PolarHBondContact N-OE2 2.98Å; T147-E150 PolarHBondContact O-N 3.37Å; T147-E150 WeakPolarHBondContact OG1-CG 3.37Å; T147-E150 PolarHBondContact OG1-N 2.91Å; T147-A151 PolarHBondContact O-N 2.76Å; T147-A151 VanDerWaalsContact O-N 3.13Å; T147-F309 HydrophobicContact CG2-CE2 4.18Å; T147-F309 HydrophobicContact CG2-CZ 4.15Å; T147-S312 VanDerWaalsContact C-CB 3.41Å; T147-S312 VanDerWaalsContact C-OG 3.23Å; T147-S312 PolarHBondContact O-OG 3.06Å
148A98.7Very high97.3Very high7 Ų718 Ų186%0.05810%0.101CC..Hα-helixtrans-58.9-36.7167.400000111.3E150 A151 T152 A273 N298 N300 S312A148-E150 VanDerWaalsContact C-N 3.33Å; A148-E150 PolarHBondContact O-N 3.48Å; A148-A151 WeakPolarHBondContact O-CB 3.27Å; A148-A151 PolarHBondContact O-N 3.07Å; A148-A151 VanDerWaalsContact O-N 3.09Å; A148-T152 PolarHBondContact O-N 2.81Å; A148-T152 PolarHBondContact O-OG1 2.96Å; A148-T152 VanDerWaalsContact O-OG1 3.09Å; A148-A273 HydrophobicContact CB-CB 3.83Å; A148-N298 WeakPolarHBondContact CB-ND2 3.46Å; A148-N300 WeakPolarHBondContact CB-OD1 3.37Å; A148-S312 PolarHBondContact N-OG 3.19Å
149S98.8Very high98Very high51 Ų5117.3 Ų17.336%0.3579%0.094SC..Hα-helixtrans-58.4-43.2176.4-52.10000112.5T147 L153 S194T147-S149 PolarHBondContact O-N 3.3Å; T147-S149 PolarHBondContact OG1-N 3Å; S149-L153 WeakPolarHBondContact O-CB 3.27Å; S149-L153 PolarHBondContact O-N 3.38Å; S149-S194 VanDerWaalsContact OG-CB 3.26Å; S149-S194 WeakPolarHBondContact OG-CB 3.36Å
150E98.5Very high98.4Very high72 Ų7213.3 Ų13.334%0.3367%0.073SC..Hα-helixtrans-64.7-42.8173.8-73.3165.3-166.300111.2Q145 G146 T147 A148 T152 L153 M154Q145-E150 HydrophobicContact CB-CB 4.43Å; G146-E150 VanDerWaalsContact CA-OE2 3.22Å; G146-E150 WeakPolarHBondContact CA-OE2 3.26Å; G146-E150 PolarHBondContact N-OE2 2.93Å; T147-E150 PolarHBondContact N-OE2 2.98Å; T147-E150 PolarHBondContact O-N 3.37Å; T147-E150 WeakPolarHBondContact OG1-CG 3.37Å; T147-E150 PolarHBondContact OG1-N 2.91Å; A148-E150 VanDerWaalsContact C-N 3.33Å; A148-E150 PolarHBondContact O-N 3.48Å; E150-T152 PolarHBondContact O-N 3.14Å; E150-L153 PolarHBondContact O-N 3.23Å; E150-M154 WeakPolarHBondContact O-CB 3.43Å; E150-M154 WeakPolarHBondContact O-CG 3.3Å; E150-M154 PolarHBondContact O-N 3.02Å
151A98.8Very high98.5Very high0 Ų014.5 Ų14.50%08%0.081CC..Hα-helixtrans-61-44.3177.500000112.4Q145 T147 A148 M154 A155 N298 M314Q145-A151 HydrophobicContact CG-CB 4.17Å; T147-A151 PolarHBondContact O-N 2.76Å; T147-A151 VanDerWaalsContact O-N 3.13Å; A148-A151 WeakPolarHBondContact O-CB 3.27Å; A148-A151 PolarHBondContact O-N 3.07Å; A148-A151 VanDerWaalsContact O-N 3.09Å; A151-M154 PolarHBondContact O-N 3.33Å; A151-A155 WeakPolarHBondContact O-CB 3.32Å; A151-A155 PolarHBondContact O-N 3.39Å; A151-N298 HydrophobicContact CB-CB 3.82Å; A151-M314 HydrophobicContact CB-CB 3.99Å; A151-M314 HydrophobicContact CB-CG 4.04Å; A151-M314 HydrophobicContact CB-SD 3.77Å; A151-M314 WeakPolarHBondContact O-CE 3.2Å
152T98.9Very high98.5Very high0 Ų017.2 Ų17.20%09%0.092CC..Hα-helixtrans-62.5-45.2175-56.40000111.5A148 E150 A155 L156 V195 A198 H269A148-T152 PolarHBondContact O-N 2.81Å; A148-T152 PolarHBondContact O-OG1 2.96Å; A148-T152 VanDerWaalsContact O-OG1 3.09Å; E150-T152 PolarHBondContact O-N 3.14Å; T152-A155 PolarHBondContact O-N 2.9Å; T152-L156 WeakPolarHBondContact O-CB 3.44Å; T152-L156 PolarHBondContact O-N 2.85Å; T152-V195 HydrophobicContact CG2-CB 4.47Å; T152-V195 HydrophobicContact CG2-CG1 4.45Å; T152-V195 HydrophobicContact CG2-CG2 4.1Å; T152-A198 HydrophobicContact CG2-CB 4.16Å; T152-H269 WeakPolarHBondContact CA-NE2 3.44Å; T152-H269 PolarHBondContact OG1-NE2 2.89Å
153L98.8Very high98.5Very high16 Ų1617.3 Ų17.38%0.0849%0.092CC..Hα-helixtrans-61.6-45.1176.4175.259.8000111.6S149 E150 A155 L156 L157 A198 I201 I352S149-L153 WeakPolarHBondContact O-CB 3.27Å; S149-L153 PolarHBondContact O-N 3.38Å; E150-L153 PolarHBondContact O-N 3.23Å; L153-A155 VanDerWaalsContact C-N 3.34Å; L153-A155 PolarHBondContact O-N 2.87Å; L153-L156 PolarHBondContact O-N 3.01Å; L153-L157 HydrophobicContact CD1-CD1 3.82Å; L153-L157 HydrophobicContact CD1-CD2 4.42Å; L153-L157 HydrophobicContact CD1-CG 3.86Å; L153-L157 HydrophobicContact CG-CD1 3.94Å; L153-L157 HydrophobicContact CG-CG 4.37Å; L153-L157 WeakPolarHBondContact O-CB 3.47Å; L153-L157 VanDerWaalsContact O-CG 3.29Å; L153-L157 WeakPolarHBondContact O-CG 3.17Å; L153-L157 PolarHBondContact O-N 3.41Å; L153-A198 HydrophobicContact CB-CB 4.07Å; L153-A198 HydrophobicContact CD1-CB 4.19Å; L153-I201 HydrophobicContact CD1-CB 4.12Å; L153-I201 HydrophobicContact CD1-CG2 3.96Å; L153-I201 HydrophobicContact CD2-CB 4.49Å; L153-I201 HydrophobicContact CD2-CD1 4.22Å; L153-I201 HydrophobicContact CD2-CG2 3.95Å; L153-I352 HydrophobicContact CD2-CD1 3.56Å; L153-I352 HydrophobicContact CG-CD1 4.13Å
154M98.4Very high98.4Very high0 Ų017.5 Ų17.50%09%0.093CC..Hα-helixtrans-57.4-46.5175.4-76.7-69-60.100111.7E150 A151 L157 A158 M314 I322 F326 W350 I352E150-M154 WeakPolarHBondContact O-CB 3.43Å; E150-M154 WeakPolarHBondContact O-CG 3.3Å; E150-M154 PolarHBondContact O-N 3.02Å; A151-M154 PolarHBondContact O-N 3.33Å; M154-L157 PolarHBondContact O-N 3.49Å; M154-A158 WeakPolarHBondContact O-CB 3.38Å; M154-A158 PolarHBondContact O-N 2.99Å; M154-M314 HydrophobicContact CB-CE 4.23Å; M154-M314 HydrophobicContact CB-SD 4.21Å; M154-I322 HydrophobicContact CE-CG2 4.19Å; M154-F326 HydrophobicContact CE-CD1 4.3Å; M154-F326 HydrophobicContact CE-CD2 3.3Å; M154-F326 HydrophobicContact CE-CE1 4.17Å; M154-F326 HydrophobicContact CE-CE2 3.17Å; M154-F326 HydrophobicContact CE-CG 3.89Å; M154-F326 HydrophobicContact CE-CZ 3.62Å; M154-F326 HydrophobicContact SD-CD1 4.15Å; M154-F326 HydrophobicContact SD-CD2 4.07Å; M154-F326 HydrophobicContact SD-CE1 3.61Å; M154-F326 HydrophobicContact SD-CE2 3.54Å; M154-F326 VanDerWaalsContact SD-CE2 3.54Å; M154-F326 HydrophobicContact SD-CG 4.35Å; M154-F326 HydrophobicContact SD-CZ 3.26Å; M154-F326 WeakPolarHBondContact SD-CZ 3.47Å; M154-W350 WeakPolarHBondContact CE-O 3.36Å; M154-I352 HydrophobicContact CG-CG1 4.21Å; M154-I352 HydrophobicContact SD-CD1 4.39Å; M154-I352 HydrophobicContact SD-CG1 3.49Å; M154-I352 WeakPolarHBondContact SD-CG1 3.47Å
155A98.8Very high98.3Very high0 Ų023.6 Ų23.60%012%0.116CC..Hα-helixtrans-61.8-45.6176.900000112A151 T152 L153 A158 A159 Y238 H269 S296 M314A151-A155 WeakPolarHBondContact O-CB 3.32Å; A151-A155 PolarHBondContact O-N 3.39Å; T152-A155 PolarHBondContact O-N 2.9Å; L153-A155 VanDerWaalsContact C-N 3.34Å; L153-A155 PolarHBondContact O-N 2.87Å; A155-A158 PolarHBondContact O-N 2.97Å; A155-A159 WeakPolarHBondContact O-CB 3.45Å; A155-A159 PolarHBondContact O-N 2.87Å; A155-Y238 HydrophobicContact CB-CE2 4.09Å; A155-H269 HydrophobicContact CB-CB 4.11Å; A155-S296 WeakPolarHBondContact CB-OG 3.29Å; A155-M314 HydrophobicContact CB-CE 3.89Å
156L98.9Very high98.2Very high0 Ų027.8 Ų27.80%013%0.132CC..Hα-helixtrans-62.5-45.5179.1-177.8150.8000111.6T152 L153 A159 R160 A198 A199 V204 M206 F237 Y238T152-L156 WeakPolarHBondContact O-CB 3.44Å; T152-L156 PolarHBondContact O-N 2.85Å; L153-L156 PolarHBondContact O-N 3.01Å; L156-A159 PolarHBondContact O-N 3.29Å; L156-R160 WeakPolarHBondContact O-CB 3.41Å; L156-R160 PolarHBondContact O-N 2.92Å; L156-A198 HydrophobicContact CD1-CB 4.19Å; L156-A199 HydrophobicContact CD1-CB 4.33Å; L156-V204 HydrophobicContact CD1-CG2 4.04Å; L156-V204 HydrophobicContact CD2-CG2 3.93Å; L156-V204 HydrophobicContact CG-CG2 4.38Å; L156-M206 HydrophobicContact CD1-CE 4.26Å; L156-F237 HydrophobicContact CG-CZ 4.45Å; L156-Y238 HydrophobicContact CB-CD2 4.5Å; L156-Y238 HydrophobicContact CB-CE1 4.4Å; L156-Y238 HydrophobicContact CB-CE2 4.16Å; L156-Y238 HydrophobicContact CD1-CD1 4.4Å; L156-Y238 HydrophobicContact CD1-CE1 4.29Å
157L98.7Very high98.1Very high23 Ų2328.3 Ų28.312%0.1213%0.134CC..Hα-helixtrans-65.8-39.8178.2-69.7176000111.8L153 M154 R160 C161 F326L153-L157 HydrophobicContact CD1-CD1 3.82Å; L153-L157 HydrophobicContact CD1-CD2 4.42Å; L153-L157 HydrophobicContact CD1-CG 3.86Å; L153-L157 HydrophobicContact CG-CD1 3.94Å; L153-L157 HydrophobicContact CG-CG 4.37Å; L153-L157 WeakPolarHBondContact O-CB 3.47Å; L153-L157 VanDerWaalsContact O-CG 3.29Å; L153-L157 WeakPolarHBondContact O-CG 3.17Å; L153-L157 PolarHBondContact O-N 3.41Å; M154-L157 PolarHBondContact O-N 3.49Å; L157-R160 WeakPolarHBondContact O-CB 3.41Å; L157-R160 PolarHBondContact O-N 3Å; L157-C161 PolarHBondContact O-N 3.08Å; L157-C161 PolarHBondContact O-SG 2.94Å; L157-C161 VanDerWaalsContact O-SG 3.42Å; L157-F326 HydrophobicContact CB-CE1 4.44Å; L157-F326 HydrophobicContact CB-CE2 4.4Å; L157-F326 HydrophobicContact CB-CZ 3.65Å; L157-F326 HydrophobicContact CD1-CE1 3.96Å; L157-F326 HydrophobicContact CD1-CZ 3.83Å; L157-F326 HydrophobicContact CG-CZ 4.41Å
158A98.6Very high97.9Very high0 Ų029.2 Ų29.20%014%0.137CC..Hα-helixtrans-62.3-46.517400000111.7M154 A155 R160 C161 K162 W267 I322 A325M154-A158 WeakPolarHBondContact O-CB 3.38Å; M154-A158 PolarHBondContact O-N 2.99Å; A155-A158 PolarHBondContact O-N 2.97Å; A158-R160 VanDerWaalsContact C-N 3.33Å; A158-R160 PolarHBondContact O-N 3.15Å; A158-C161 PolarHBondContact O-N 3.12Å; A158-K162 VanDerWaalsContact O-CB 3.27Å; A158-K162 WeakPolarHBondContact O-CB 3.32Å; A158-K162 PolarHBondContact O-N 3.17Å; A158-W267 HydrophobicContact CB-CH2 4.1Å; A158-W267 HydrophobicContact CB-CZ3 4.34Å; A158-I322 HydrophobicContact CB-CG1 4.02Å; A158-A325 HydrophobicContact CB-CB 4.28Å
159A98.7Very high97.7Very high0 Ų033.2 Ų33.20%017%0.17CC..Hα-helixtrans-59.5-42.6175.800000112.4A155 L156 K162 T163 F237 Y238 W267A155-A159 WeakPolarHBondContact O-CB 3.45Å; A155-A159 PolarHBondContact O-N 2.87Å; L156-A159 PolarHBondContact O-N 3.29Å; A159-K162 PolarHBondContact O-N 3.18Å; A159-T163 WeakPolarHBondContact O-CB 3.18Å; A159-T163 PolarHBondContact O-N 2.62Å; A159-T163 PolarHBondContact O-OG1 2.86Å; A159-F237 HydrophobicContact CB-CD2 3.95Å; A159-F237 HydrophobicContact CB-CE2 4.05Å; A159-Y238 HydrophobicContact CB-CD2 3.69Å; A159-Y238 HydrophobicContact CB-CG 4.48Å; A159-W267 HydrophobicContact CB-CB 3.4Å; A159-W267 HydrophobicContact CB-CD2 3.75Å; A159-W267 HydrophobicContact CB-CE3 3.91Å; A159-W267 HydrophobicContact CB-CG 3.55Å
160R98.2Very high97.5Very high61 Ų6136.4 Ų36.423%0.2319%0.188CC..Hα-helixtrans-59.8-54.5176.4-171.7-173721743.1110.7L156 L157 A158 K162 T163 V164 L180 L183 G202 V204 F237L156-R160 WeakPolarHBondContact O-CB 3.41Å; L156-R160 PolarHBondContact O-N 2.92Å; L157-R160 WeakPolarHBondContact O-CB 3.41Å; L157-R160 PolarHBondContact O-N 3Å; A158-R160 VanDerWaalsContact C-N 3.33Å; A158-R160 PolarHBondContact O-N 3.15Å; R160-K162 PolarHBondContact O-N 2.93Å; R160-T163 PolarHBondContact O-N 2.87Å; R160-V164 WeakPolarHBondContact O-CG2 3.38Å; R160-V164 PolarHBondContact O-N 3.35Å; R160-L180 HydrophobicContact CG-CD2 3.75Å; R160-L183 HydrophobicContact CB-CD1 4.5Å; R160-L183 HydrophobicContact CG-CD1 3.59Å; R160-G202 PolarHBondContact NH1-O 3.32Å; R160-V204 HydrophobicContact CG-CG1 4.32Å; R160-F237 HydrophobicContact CB-CE2 3.92Å
161C97.4Very high97.1Very high26 Ų2635.4 Ų35.418%0.17619%0.185CC..Hα-helixtrans-61.1-42.4179.5-71.20000112.4L157 A158 T163 R165 A325L157-C161 PolarHBondContact O-N 3.08Å; L157-C161 PolarHBondContact O-SG 2.94Å; L157-C161 VanDerWaalsContact O-SG 3.42Å; A158-C161 PolarHBondContact O-N 3.12Å; C161-T163 VanDerWaalsContact C-N 3.34Å; C161-T163 PolarHBondContact O-N 3.1Å; C161-R165 WeakPolarHBondContact O-CG 3.39Å; C161-R165 PolarHBondContact O-N 2.85Å; C161-R165 VanDerWaalsContact O-N 3.1Å; C161-A325 HydrophobicContact CB-CB 3.98Å
162K97.4Very high96.4Very high59 Ų5940.6 Ų40.626%0.25722%0.221SC..Hα-helixtrans-59.7-44.8175.7-178.6179.8-179.6174.80111.5A158 A159 R160 R166 W267 D295 D321A158-K162 VanDerWaalsContact O-CB 3.27Å; A158-K162 WeakPolarHBondContact O-CB 3.32Å; A158-K162 PolarHBondContact O-N 3.17Å; A159-K162 PolarHBondContact O-N 3.18Å; R160-K162 PolarHBondContact O-N 2.93Å; K162-R166 PolarHBondContact O-N 3.21Å; K162-W267 HydrophobicContact CD-CE3 3.95Å; K162-W267 HydrophobicContact CD-CZ3 3.93Å; K162-D295 IonicContact NZ-OD1 3.19Å; K162-D295 PolarHBondContact NZ-OD1 2.86Å; K162-D321 HydrophobicContact CD-CB 4.39Å; K162-D321 WeakPolarHBondContact CE-OD2 3.18Å; K162-D321 IonicContact NZ-OD2 2.83Å; K162-D321 PolarHBondContact NZ-OD2 2.84Å
163T97.9Very high96Very high4 Ų450 Ų503%0.02526%0.262CS..Hα-helixtrans-68.9-43.8-179.2-58.20000112A159 R160 C161 R165 R166 V167 L183 I235 F237A159-T163 WeakPolarHBondContact O-CB 3.18Å; A159-T163 PolarHBondContact O-N 2.62Å; A159-T163 PolarHBondContact O-OG1 2.86Å; R160-T163 PolarHBondContact O-N 2.87Å; C161-T163 VanDerWaalsContact C-N 3.34Å; C161-T163 PolarHBondContact O-N 3.1Å; T163-R165 VanDerWaalsContact C-N 3.35Å; T163-R165 PolarHBondContact O-N 3.47Å; T163-R166 WeakPolarHBondContact O-CB 3.34Å; T163-R166 PolarHBondContact O-N 3.11Å; T163-V167 HydrophobicContact CG2-CG2 4.31Å; T163-V167 WeakPolarHBondContact O-CG2 3.36Å; T163-V167 PolarHBondContact O-N 3.08Å; T163-L183 HydrophobicContact CG2-CD2 3.77Å; T163-I235 HydrophobicContact CG2-CG2 4.05Å; T163-F237 HydrophobicContact CG2-CB 3.83Å
164V97.1Very high95.6Very high5 Ų552.9 Ų52.93%0.0327%0.274CS..Hα-helixtrans-56.1-49.9175.3167.70000110.6R160 R166 V167 L168 E176 I179 L180 L183R160-V164 WeakPolarHBondContact O-CG2 3.38Å; R160-V164 PolarHBondContact O-N 3.35Å; V164-R166 VanDerWaalsContact C-N 3.33Å; V164-R166 PolarHBondContact O-N 2.85Å; V164-V167 PolarHBondContact O-N 3.35Å; V164-L168 HydrophobicContact CG1-CD1 3.79Å; V164-L168 HydrophobicContact CG1-CG 4.38Å; V164-L168 WeakPolarHBondContact O-CB 3.19Å; V164-L168 WeakPolarHBondContact O-CG 3.11Å; V164-L168 PolarHBondContact O-N 3.09Å; V164-E176 HydrophobicContact CG1-CB 4.41Å; V164-E176 HydrophobicContact CG1-CG 3.8Å; V164-I179 HydrophobicContact CG2-CG2 4.03Å; V164-L180 HydrophobicContact CG2-CD2 3.8Å; V164-L180 HydrophobicContact CG2-CG 4.25Å; V164-L183 HydrophobicContact CG2-CD1 4.3Å
165R95.7Very high95.5Very high128 Ų12855.4 Ų55.448%0.48329%0.291SS..Hα-helixtrans-58.6-44177.4-72.5177.9-171.9130.110.2112.5C161 T163 A169 G324C161-R165 WeakPolarHBondContact O-CG 3.39Å; C161-R165 PolarHBondContact O-N 2.85Å; C161-R165 VanDerWaalsContact O-N 3.1Å; T163-R165 VanDerWaalsContact C-N 3.35Å; T163-R165 PolarHBondContact O-N 3.47Å; R165-A169 WeakPolarHBondContact O-CB 3.42Å; R165-A169 PolarHBondContact O-N 3.29Å; R165-G324 PolarHBondContact NH1-O 3.06Å; R165-G324 PolarHBondContact NH2-O 3.28Å
166R96.1Very high95.3Very high90 Ų9060.5 Ų60.534%0.3432%0.315SS..Hα-helixtrans-60-47.7178-177.5-17570.4-158.45.2111.2K162 T163 V164 A169 T170 N265K162-R166 PolarHBondContact O-N 3.21Å; T163-R166 WeakPolarHBondContact O-CB 3.34Å; T163-R166 PolarHBondContact O-N 3.11Å; V164-R166 VanDerWaalsContact C-N 3.33Å; V164-R166 PolarHBondContact O-N 2.85Å; R166-A169 PolarHBondContact O-N 2.95Å; R166-T170 PolarHBondContact O-N 3.11Å; R166-T170 PolarHBondContact O-OG1 2.91Å; R166-N265 PolarHBondContact NH1-O 2.94Å
167V96.3Very high95.1Very high16 Ų1664.8 Ų64.810%0.09735%0.345CS..Hα-helixtrans-66.7-43.3-177.9176.10000111T163 V164 A169 T170 D171 K174 I179 I235T163-V167 HydrophobicContact CG2-CG2 4.31Å; T163-V167 WeakPolarHBondContact O-CG2 3.36Å; T163-V167 PolarHBondContact O-N 3.08Å; V164-V167 PolarHBondContact O-N 3.35Å; V167-A169 VanDerWaalsContact C-N 3.3Å; V167-A169 PolarHBondContact O-N 3.28Å; V167-T170 PolarHBondContact O-N 2.96Å; V167-T170 VanDerWaalsContact O-N 3.1Å; V167-T170 PolarHBondContact O-OG1 2.97Å; V167-D171 PolarHBondContact O-N 3.48Å; V167-K174 HydrophobicContact CG1-CD 4.21Å; V167-I179 HydrophobicContact CB-CD1 3.96Å; V167-I179 HydrophobicContact CB-CG1 4.38Å; V167-I179 HydrophobicContact CB-CG2 4.22Å; V167-I179 HydrophobicContact CG1-CD1 3.65Å; V167-I179 HydrophobicContact CG1-CG1 3.77Å; V167-I179 HydrophobicContact CG1-CG2 4.28Å; V167-I179 HydrophobicContact CG2-CG2 4.41Å; V167-I235 HydrophobicContact CG2-CD1 4.47Å
168L95.9Very high94.9Very high56 Ų5668.3 Ų68.329%0.29336%0.361SS..Hα-helixtrans-61.3-36.8175.5-72.1172.6000112.7V164 T170 D171 S172 K174 I179V164-L168 HydrophobicContact CG1-CD1 3.79Å; V164-L168 HydrophobicContact CG1-CG 4.38Å; V164-L168 WeakPolarHBondContact O-CB 3.19Å; V164-L168 WeakPolarHBondContact O-CG 3.11Å; V164-L168 PolarHBondContact O-N 3.09Å; L168-T170 VanDerWaalsContact C-N 3.26Å; L168-T170 PolarHBondContact O-N 3.24Å; L168-D171 CarbonylContact O-C 3.57Å; L168-D171 PolarHBondContact O-N 2.93Å; L168-S172 PolarHBondContact O-N 2.83Å; L168-K174 WeakPolarHBondContact CD2-O 3.1Å; L168-I179 HydrophobicContact CD2-CD1 3.54Å; L168-I179 HydrophobicContact CG-CD1 3.59Å
169A94.8Very high94.8Very high91 Ų9168.4 Ų68.475%0.75236%0.361SS*.Hα-helixtrans-66.5-28.5176.300000112.7R165 R166 V167R165-A169 WeakPolarHBondContact O-CB 3.42Å; R165-A169 PolarHBondContact O-N 3.29Å; R166-A169 PolarHBondContact O-N 2.95Å; V167-A169 VanDerWaalsContact C-N 3.3Å; V167-A169 PolarHBondContact O-N 3.28Å
170T92.8Very high94.8Very high118 Ų11870.6 Ų70.672%0.72437%0.373SS*.Hα-helixtrans-90.7-25.3177.555.10000114R166 V167 L168R166-T170 PolarHBondContact O-N 3.11Å; R166-T170 PolarHBondContact O-OG1 2.91Å; V167-T170 PolarHBondContact O-N 2.96Å; V167-T170 VanDerWaalsContact O-N 3.1Å; V167-T170 PolarHBondContact O-OG1 2.97Å; L168-T170 VanDerWaalsContact C-N 3.26Å; L168-T170 PolarHBondContact O-N 3.24Å
171D90.1Very high94.7Very high50 Ų5071.6 Ų71.627%0.26739%0.389SS..  trans-148.483.9-174.8-173.5-1000110.2V167 L168 K173 K174V167-D171 PolarHBondContact O-N 3.48Å; L168-D171 CarbonylContact O-C 3.57Å; L168-D171 PolarHBondContact O-N 2.93Å; D171-K173 PolarHBondContact O-N 2.97Å; D171-K173 VanDerWaalsContact O-N 3.15Å; D171-K173 PolarHBondContact OD1-N 2.84Å; D171-K174 HydrophobicContact CB-CD 4.35Å; D171-K174 PolarHBondContact O-N 3.45Å; D171-K174 WeakPolarHBondContact OD2-CD 3.24Å; D171-K174 WeakPolarHBondContact OD2-CE 3.36Å; D171-K174 IonicContact OD2-NZ 3.87Å; D171-K174 PolarHBondContact OD2-NZ 3.29Å
172S85.4Confident94.7Very high110 Ų11074.7 Ų74.777%0.76940%0.4SS*.THydrogen-bonded Turntrans-70.4-5.3-176.458.50000114.3L168L168-S172 PolarHBondContact O-N 2.83Å
173K89.9Confident94.8Very high196 Ų19671.9 Ų71.985%0.85239%0.387SS*.THydrogen-bonded Turntrans-81.4-22.4176.1-66.7178.8-179.4177.70112.4D171D171-K173 PolarHBondContact O-N 2.97Å; D171-K173 VanDerWaalsContact O-N 3.15Å; D171-K173 PolarHBondContact OD1-N 2.84Å
174K91.4Very high94.8Very high78 Ų7871.7 Ų71.734%0.33939%0.387SS..SBendtrans-76137.5176.1-73.4175.3-179.5150.20110.4V167 L168 D171 E178 I179V167-K174 HydrophobicContact CG1-CD 4.21Å; L168-K174 WeakPolarHBondContact CD2-O 3.1Å; D171-K174 HydrophobicContact CB-CD 4.35Å; D171-K174 PolarHBondContact O-N 3.45Å; D171-K174 WeakPolarHBondContact OD2-CD 3.24Å; D171-K174 WeakPolarHBondContact OD2-CE 3.36Å; D171-K174 IonicContact OD2-NZ 3.87Å; D171-K174 PolarHBondContact OD2-NZ 3.29Å; K174-E178 WeakPolarHBondContact CA-OE2 3.4Å; K174-I179 HydrophobicContact CB-CD1 4.15Å; K174-I179 HydrophobicContact CB-CG1 4.07Å; K174-I179 HydrophobicContact CD-CG1 4.34Å
175S94.6Very high94.9Very high52 Ų5271.5 Ų71.536%0.36439%0.385SS..  trans-77.9156166.667.20000111S177 E178 I179S175-S177 PolarHBondContact O-N 3.34Å; S175-E178 PolarHBondContact N-OE2 3.41Å; S175-E178 PolarHBondContact O-N 2.93Å; S175-E178 VanDerWaalsContact OG-CD 3.31Å; S175-E178 WeakPolarHBondContact OG-CG 3.42Å; S175-E178 PolarHBondContact OG-N 3.33Å; S175-E178 PolarHBondContact OG-OE2 3.37Å; S175-I179 WeakPolarHBondContact O-CG1 3.33Å; S175-I179 PolarHBondContact O-N 2.83Å
176E94.6Very high95.1Very high108 Ų10865.4 Ų65.451%0.50536%0.362SS..Hα-helixtrans-57.5-38.7173.7176.1165.4-169.900112.1V164 E178 I179 L180V164-E176 HydrophobicContact CG1-CB 4.41Å; V164-E176 HydrophobicContact CG1-CG 3.8Å; E176-E178 PolarHBondContact O-N 3.16Å; E176-I179 PolarHBondContact O-N 3.1Å; E176-L180 HydrophobicContact CG-CD1 3.86Å; E176-L180 HydrophobicContact CG-CG 4.2Å; E176-L180 WeakPolarHBondContact O-CB 3.39Å; E176-L180 VanDerWaalsContact O-CG 3.3Å; E176-L180 WeakPolarHBondContact O-CG 3.36Å; E176-L180 PolarHBondContact O-N 2.79Å
177S94.8Very high95.2Very high89 Ų8961.1 Ų61.162%0.62235%0.346SS*.Hα-helixtrans-61.4-43.3177.5-173.50000112.7S175 I179 L180 S181S175-S177 PolarHBondContact O-N 3.34Å; S177-I179 VanDerWaalsContact C-N 3.29Å; S177-I179 PolarHBondContact O-N 3.48Å; S177-L180 PolarHBondContact O-N 2.98Å; S177-S181 PolarHBondContact O-N 2.87Å; S177-S181 PolarHBondContact O-OG 2.95Å; S177-S181 VanDerWaalsContact O-OG 3.13Å
178E95.4Very high95.3Very high98 Ų9860.3 Ų60.346%0.45834%0.341SS..Hα-helixtrans-64.5-34.2176.1-73.4166.2146.700112.2K174 S175 E176 S181 K182K174-E178 WeakPolarHBondContact CA-OE2 3.4Å; S175-E178 PolarHBondContact N-OE2 3.41Å; S175-E178 PolarHBondContact O-N 2.93Å; S175-E178 VanDerWaalsContact OG-CD 3.31Å; S175-E178 WeakPolarHBondContact OG-CG 3.42Å; S175-E178 PolarHBondContact OG-N 3.33Å; S175-E178 PolarHBondContact OG-OE2 3.37Å; E176-E178 PolarHBondContact O-N 3.16Å; E178-S181 PolarHBondContact O-OG 2.87Å; E178-K182 WeakPolarHBondContact O-CG 3.45Å
179I97.1Very high95.4Very high1 Ų160.6 Ų60.61%0.00534%0.343CS..Hα-helixtrans-71-49.9176.4-61.8164.3000109.7V164 V167 L168 K174 S175 E176 S177 S181 K182 L183 I235V164-I179 HydrophobicContact CG2-CG2 4.03Å; V167-I179 HydrophobicContact CB-CD1 3.96Å; V167-I179 HydrophobicContact CB-CG1 4.38Å; V167-I179 HydrophobicContact CB-CG2 4.22Å; V167-I179 HydrophobicContact CG1-CD1 3.65Å; V167-I179 HydrophobicContact CG1-CG1 3.77Å; V167-I179 HydrophobicContact CG1-CG2 4.28Å; V167-I179 HydrophobicContact CG2-CG2 4.41Å; L168-I179 HydrophobicContact CD2-CD1 3.54Å; L168-I179 HydrophobicContact CG-CD1 3.59Å; K174-I179 HydrophobicContact CB-CD1 4.15Å; K174-I179 HydrophobicContact CB-CG1 4.07Å; K174-I179 HydrophobicContact CD-CG1 4.34Å; S175-I179 WeakPolarHBondContact O-CG1 3.33Å; S175-I179 PolarHBondContact O-N 2.83Å; E176-I179 PolarHBondContact O-N 3.1Å; S177-I179 VanDerWaalsContact C-N 3.29Å; S177-I179 PolarHBondContact O-N 3.48Å; I179-S181 VanDerWaalsContact C-N 3.31Å; I179-S181 PolarHBondContact O-N 3.42Å; I179-K182 PolarHBondContact O-N 2.87Å; I179-L183 HydrophobicContact CG2-CD2 4.38Å; I179-L183 PolarHBondContact O-N 2.91Å; I179-I235 HydrophobicContact CG2-CD1 4.12Å
180L96.9Very high95.5Very high47 Ų4757.2 Ų57.225%0.24631%0.312CS..Hα-helixtrans-56.8-43.5-178.8-74.1173.3000112.2R160 V164 E176 S177 K182 L183R160-L180 HydrophobicContact CG-CD2 3.75Å; V164-L180 HydrophobicContact CG2-CD2 3.8Å; V164-L180 HydrophobicContact CG2-CG 4.25Å; E176-L180 HydrophobicContact CG-CD1 3.86Å; E176-L180 HydrophobicContact CG-CG 4.2Å; E176-L180 WeakPolarHBondContact O-CB 3.39Å; E176-L180 VanDerWaalsContact O-CG 3.3Å; E176-L180 WeakPolarHBondContact O-CG 3.36Å; E176-L180 PolarHBondContact O-N 2.79Å; S177-L180 PolarHBondContact O-N 2.98Å; L180-K182 PolarHBondContact O-N 2.9Å; L180-K182 VanDerWaalsContact O-N 3.12Å; L180-L183 HydrophobicContact CD2-CD1 3.94Å; L180-L183 PolarHBondContact O-N 2.84Å; L180-L183 VanDerWaalsContact O-N 3.17Å
181S97Very high95.8Very high82 Ų8252.6 Ų52.657%0.57329%0.285SS*.THydrogen-bonded Turntrans-64.4-14.3178.358.90000114.5S177 E178 I179 M205S177-S181 PolarHBondContact O-N 2.87Å; S177-S181 PolarHBondContact O-OG 2.95Å; S177-S181 VanDerWaalsContact O-OG 3.13Å; E178-S181 PolarHBondContact O-OG 2.87Å; I179-S181 VanDerWaalsContact C-N 3.31Å; I179-S181 PolarHBondContact O-N 3.42Å; S181-M205 VanDerWaalsContact O-CE 3.31Å; S181-M205 WeakPolarHBondContact O-CE 3.45Å
182K97.9Very high96.2Very high90 Ų9053.1 Ų53.139%0.39129%0.286SS..THydrogen-bonded Turntrans-103.2-6.9178.2-66.8-179.2177-169.60113.6E178 I179 L180 V184 L234 I235E178-K182 WeakPolarHBondContact O-CG 3.45Å; I179-K182 PolarHBondContact O-N 2.87Å; L180-K182 PolarHBondContact O-N 2.9Å; L180-K182 VanDerWaalsContact O-N 3.12Å; K182-V184 PolarHBondContact O-N 3.16Å; K182-L234 CarbonylContact O-C 3.52Å; K182-L234 WeakPolarHBondContact O-CA 3.34Å; K182-I235 HydrophobicContact CB-CD1 4.01Å; K182-I235 HydrophobicContact CB-CG1 4.06Å; K182-I235 PolarHBondContact O-N 3.03Å
183L98.7Very high96.7Very high0 Ų051 Ų510%027%0.271CS..EExtended strand (participates in β ladder)trans-72.2130.6-177.3-68.9-178.5000111.7R160 T163 V164 I179 L180 V204 M205 I235 F237R160-L183 HydrophobicContact CB-CD1 4.5Å; R160-L183 HydrophobicContact CG-CD1 3.59Å; T163-L183 HydrophobicContact CG2-CD2 3.77Å; V164-L183 HydrophobicContact CG2-CD1 4.3Å; I179-L183 HydrophobicContact CG2-CD2 4.38Å; I179-L183 PolarHBondContact O-N 2.91Å; L180-L183 HydrophobicContact CD2-CD1 3.94Å; L180-L183 PolarHBondContact O-N 2.84Å; L180-L183 VanDerWaalsContact O-N 3.17Å; L183-V204 HydrophobicContact CB-CG1 4.36Å; L183-M205 VanDerWaalsContact O-CE 3.25Å; L183-M205 WeakPolarHBondContact O-CE 3.5Å; L183-M205 PolarHBondContact O-N 3.2Å; L183-I235 WeakPolarHBondContact CA-O 3.43Å; L183-I235 HydrophobicContact CD2-CB 3.84Å; L183-I235 HydrophobicContact CD2-CG2 3.75Å; L183-F237 HydrophobicContact CB-CD1 3.66Å; L183-F237 HydrophobicContact CB-CE1 3.73Å; L183-F237 HydrophobicContact CB-CG 4.47Å; L183-F237 HydrophobicContact CD1-CD1 4.43Å; L183-F237 HydrophobicContact CD2-CB 4.07Å; L183-F237 HydrophobicContact CD2-CD1 4.05Å; L183-F237 HydrophobicContact CD2-CG 4.11Å; L183-F237 HydrophobicContact CG-CD1 4.24Å
184V98.8Very high97.1Very high1 Ų141.9 Ų41.91%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-126.4128.317658.60000111.1K182 Y186 M205 R207 D229 L234 I235 P236 F237K182-V184 PolarHBondContact O-N 3.16Å; V184-Y186 HydrophobicContact CB-CE2 4.49Å; V184-Y186 HydrophobicContact CG1-CE2 3.95Å; V184-Y186 WeakPolarHBondContact CG1-OH 3.42Å; V184-Y186 HydrophobicContact CG2-CE1 4.26Å; V184-Y186 HydrophobicContact CG2-CE2 4.12Å; V184-Y186 WeakPolarHBondContact O-CE2 3.17Å; V184-M205 HydrophobicContact CB-CB 4.35Å; V184-M205 HydrophobicContact CG2-CB 4.32Å; V184-R207 HydrophobicContact CG2-CG 3.88Å; V184-D229 HydrophobicContact CG1-CB 4.23Å; V184-L234 HydrophobicContact CB-CD1 4.34Å; V184-L234 HydrophobicContact CG1-CB 3.87Å; V184-L234 HydrophobicContact CG1-CD1 4.32Å; V184-I235 PolarHBondContact N-O 2.95Å; V184-P236 HydrophobicContact CG1-CB 4.49Å; V184-P236 HydrophobicContact CG1-CG 4.21Å; V184-P236 WeakPolarHBondContact O-CA 3.35Å; V184-F237 WeakPolarHBondContact O-CD1 3.37Å; V184-F237 PolarHBondContact O-N 3.27Å; V184-F237 VanDerWaalsContact O-N 3.16Å
185A98.9Very high97.5Very high0 Ų038.1 Ų38.10%022%0.216CC..EExtended strand (participates in β ladder)trans-105.9156.417600000110.6M205 M206 R207 F237 Y238A185-M205 PolarHBondContact N-O 3.35Å; A185-M206 HydrophobicContact CB-CE 3.53Å; A185-M206 HydrophobicContact CB-SD 3.98Å; A185-M206 CarbonylContact O-C 3.53Å; A185-M206 WeakPolarHBondContact O-CA 3.06Å; A185-R207 PolarHBondContact O-N 3.39Å; A185-F237 HydrophobicContact CB-CE1 3.76Å; A185-F237 HydrophobicContact CB-CZ 4.01Å; A185-Y238 CarbonylContact C-O 3.58Å; A185-Y238 WeakPolarHBondContact CA-O 3.5Å; A185-Y238 HydrophobicContact CB-CD1 3.99Å
186Y98.9Very high97.6Very high0 Ų039.8 Ų39.80%022%0.218CC..EExtended strand (participates in β ladder)trans-131.3149-175.6-56.2-95.6000111V184 R207 V209 L222 M225 L226 D229 P236 Y238 F239 C240 M266V184-Y186 HydrophobicContact CB-CE2 4.49Å; V184-Y186 HydrophobicContact CG1-CE2 3.95Å; V184-Y186 WeakPolarHBondContact CG1-OH 3.42Å; V184-Y186 HydrophobicContact CG2-CE1 4.26Å; V184-Y186 HydrophobicContact CG2-CE2 4.12Å; V184-Y186 WeakPolarHBondContact O-CE2 3.17Å; Y186-R207 WeakPolarHBondContact CA-O 3.48Å; Y186-R207 HydrophobicContact CD1-CB 4.01Å; Y186-R207 HydrophobicContact CE1-CB 4.21Å; Y186-V209 HydrophobicContact CD1-CG2 4.37Å; Y186-L222 HydrophobicContact CD1-CD1 4.02Å; Y186-L222 HydrophobicContact CG-CD1 3.93Å; Y186-M225 HydrophobicContact CD1-CE 4.25Å; Y186-M225 HydrophobicContact CE1-CB 4.12Å; Y186-M225 HydrophobicContact CE1-CE 4.42Å; Y186-L226 HydrophobicContact CD1-CD2 4.42Å; Y186-L226 HydrophobicContact CD2-CD2 3.94Å; Y186-L226 HydrophobicContact CE1-CD2 3.94Å; Y186-L226 HydrophobicContact CE2-CD2 3.4Å; Y186-L226 VanDerWaalsContact CE2-CD2 3.4Å; Y186-L226 HydrophobicContact CG-CD2 4.42Å; Y186-D229 VanDerWaalsContact CE1-OD2 3.23Å; Y186-D229 WeakPolarHBondContact CE1-OD2 3.38Å; Y186-D229 VanDerWaalsContact CZ-OD2 3.25Å; Y186-D229 VanDerWaalsContact OH-CB 3.3Å; Y186-D229 WeakPolarHBondContact OH-CB 3.18Å; Y186-D229 VanDerWaalsContact OH-CG 3.28Å; Y186-D229 PolarHBondContact OH-OD2 3.49Å; Y186-P236 HydrophobicContact CE2-CB 3.79Å; Y186-P236 HydrophobicContact CE2-CG 4.32Å; Y186-Y238 PolarHBondContact N-O 3.03Å; Y186-F239 WeakPolarHBondContact O-CA 3.48Å; Y186-C240 PolarHBondContact O-N 2.78Å; Y186-M266 HydrophobicContact CD2-CE 3.46Å; Y186-M266 VanDerWaalsContact CD2-CE 3.46Å; Y186-M266 HydrophobicContact CE2-CE 3.86Å; Y186-M266 HydrophobicContact CG-CE 4.45Å
187T98.8Very high97.8Very high0 Ų042.6 Ų42.60%022%0.224CC..EExtended strand (participates in β ladder)trans-157.6165.3171-164.90000110.3A191 V195 M206 R207 K208 V209 C240T187-A191 HydrophobicContact CG2-CB 3.89Å; T187-A191 WeakPolarHBondContact OG1-CB 3.45Å; T187-V195 HydrophobicContact CG2-CB 4.3Å; T187-V195 HydrophobicContact CG2-CG1 3.81Å; T187-M206 HydrophobicContact CG2-CG 4.37Å; T187-M206 HydrophobicContact CG2-SD 3.76Å; T187-R207 PolarHBondContact N-O 3.05Å; T187-R207 VanDerWaalsContact N-O 3.11Å; T187-K208 CarbonylContact O-C 3.5Å; T187-K208 WeakPolarHBondContact O-CA 3.4Å; T187-V209 PolarHBondContact O-N 3.39Å; T187-C240 PolarHBondContact OG1-O 2.84Å
188S98.4Very high98Very high0 Ų038.5 Ų38.50%020%0.195CC..EExtended strand (participates in β ladder)trans-58.2147173.2178.10000112.3Q190 A191 T211 V217S188-Q190 PolarHBondContact O-N 3.24Å; S188-Q190 WeakPolarHBondContact OG-CB 3.45Å; S188-Q190 PolarHBondContact OG-N 3.47Å; S188-A191 WeakPolarHBondContact O-CB 3.41Å; S188-A191 PolarHBondContact O-N 3.45Å; S188-A191 VanDerWaalsContact O-N 3.09Å; S188-T211 WeakPolarHBondContact OG-CG2 3.33Å; S188-V217 VanDerWaalsContact CB-CG2 3.46Å
189D97.6Very high98.2Very high61 Ų6134 Ų3433%0.32618%0.175SC..THydrogen-bonded Turntrans-65.4-11.9167.270.65.5000113.7K208 V209 T211D189-K208 HydrophobicContact CB-CB 4.07Å; D189-K208 HydrophobicContact CB-CD 4.45Å; D189-V209 PolarHBondContact N-O 2.88Å; D189-T211 VanDerWaalsContact OD1-CG2 3.26Å; D189-T211 WeakPolarHBondContact OD1-CG2 3.4Å; D189-T211 PolarHBondContact OD1-OG1 3.26Å
190Q98.1Very high98.2Very high21 Ų2140.7 Ų40.710%0.09821%0.21CC..THydrogen-bonded Turntrans-98.80.8173.1-53.6-55.1-53.400113.9S188 T211 Y215 T245 P247S188-Q190 PolarHBondContact O-N 3.24Å; S188-Q190 WeakPolarHBondContact OG-CB 3.45Å; S188-Q190 PolarHBondContact OG-N 3.47Å; Q190-T211 HydrophobicContact CG-CG2 3.91Å; Q190-Y215 HydrophobicContact CG-CD1 4.45Å; Q190-T245 HydrophobicContact CB-CG2 3.83Å; Q190-P247 WeakPolarHBondContact O-CD 3.37Å
191A97.6Very high98.3Very high20 Ų2043.5 Ų43.517%0.16522%0.224CC..SBendtrans-60.8155.2-178.400000111.8T187 S188 V195T187-A191 HydrophobicContact CG2-CB 3.89Å; T187-A191 WeakPolarHBondContact OG1-CB 3.45Å; S188-A191 WeakPolarHBondContact O-CB 3.41Å; S188-A191 PolarHBondContact O-N 3.45Å; S188-A191 VanDerWaalsContact O-N 3.09Å; A191-V195 HydrophobicContact CB-CG2 4.2Å
192H98.3Very high98.3Very high61 Ų6139.6 Ų39.628%0.28220%0.197SC..  trans-65.2146.6174.5-176.9-103.1000110.7S194 V195 T246H192-S194 WeakPolarHBondContact ND1-CB 3.38Å; H192-S194 PolarHBondContact ND1-N 2.82Å; H192-S194 VanDerWaalsContact ND1-N 3.12Å; H192-S194 PolarHBondContact ND1-OG 3.01Å; H192-S194 PolarHBondContact O-N 2.9Å; H192-V195 PolarHBondContact O-N 3.34Å; H192-T246 PolarHBondContact CD2-OG1 3.09Å
193S97.6Very high98.3Very high66 Ų6639.2 Ų39.246%0.46221%0.21SC..Hα-helixtrans-60-15.4-178.760.60000114.1V195 E196 R197S193-V195 PolarHBondContact O-N 3.14Å; S193-E196 PolarHBondContact O-N 3.01Å; S193-R197 WeakPolarHBondContact O-CB 3.35Å; S193-R197 PolarHBondContact O-N 2.94Å
194S98.3Very high98.2Very high4 Ų440 Ų403%0.02822%0.215CC..Hα-helixtrans-61-30.1172.157.20000113.2S149 H192 R197 A198S149-S194 VanDerWaalsContact OG-CB 3.26Å; S149-S194 WeakPolarHBondContact OG-CB 3.36Å; H192-S194 WeakPolarHBondContact ND1-CB 3.38Å; H192-S194 PolarHBondContact ND1-N 2.82Å; H192-S194 VanDerWaalsContact ND1-N 3.12Å; H192-S194 PolarHBondContact ND1-OG 3.01Å; H192-S194 PolarHBondContact O-N 2.9Å; S194-R197 PolarHBondContact O-N 3.3Å; S194-A198 VanDerWaalsContact O-CB 3.32Å; S194-A198 WeakPolarHBondContact O-CB 3.28Å; S194-A198 PolarHBondContact O-N 2.86Å
195V98.6Very high98.2Very high0 Ų043.6 Ų43.60%023%0.232CC..Hα-helixtrans-70.5-44.4-178.9-172.20000110.5T152 T187 A191 H192 S193 R197 A198 A199 M206 C240T152-V195 HydrophobicContact CG2-CB 4.47Å; T152-V195 HydrophobicContact CG2-CG1 4.45Å; T152-V195 HydrophobicContact CG2-CG2 4.1Å; T187-V195 HydrophobicContact CG2-CB 4.3Å; T187-V195 HydrophobicContact CG2-CG1 3.81Å; A191-V195 HydrophobicContact CB-CG2 4.2Å; H192-V195 PolarHBondContact O-N 3.34Å; S193-V195 PolarHBondContact O-N 3.14Å; V195-R197 VanDerWaalsContact C-N 3.32Å; V195-R197 PolarHBondContact O-N 2.86Å; V195-A198 WeakPolarHBondContact O-CB 3.49Å; V195-A198 PolarHBondContact O-N 2.8Å; V195-A199 PolarHBondContact O-N 2.99Å; V195-M206 HydrophobicContact CG1-CE 3.73Å; V195-M206 HydrophobicContact CG1-SD 4.38Å; V195-C240 HydrophobicContact CG1-CB 3.8Å; V195-C240 HydrophobicContact CG2-CB 4.32Å
196E98.3Very high98.2Very high86 Ų8645.7 Ų45.740%0.40224%0.243SC..Hα-helixtrans-62.6-40.9172-66-173.4117.100111.4S193 A198 A199 L200 K208S193-E196 PolarHBondContact O-N 3.01Å; E196-A198 VanDerWaalsContact C-N 3.32Å; E196-A198 PolarHBondContact O-N 3.17Å; E196-A199 WeakPolarHBondContact O-CB 3.49Å; E196-A199 PolarHBondContact O-N 3.34Å; E196-L200 PolarHBondContact O-N 3.48Å; E196-K208 WeakPolarHBondContact OE1-CE 3.2Å; E196-K208 IonicContact OE1-NZ 3.98Å; E196-K208 PolarHBondContact OE1-NZ 3.36Å; E196-K208 IonicContact OE2-NZ 3.27Å; E196-K208 PolarHBondContact OE2-NZ 3.1Å
197R98.6Very high98.1Very high167 Ų16749.2 Ų49.263%0.6326%0.256SS*.Hα-helixtrans-64-37.3175.9-170.8165.3-64.1-172.30.8112.3S193 S194 V195 A199 L200 I201S193-R197 WeakPolarHBondContact O-CB 3.35Å; S193-R197 PolarHBondContact O-N 2.94Å; S194-R197 PolarHBondContact O-N 3.3Å; V195-R197 VanDerWaalsContact C-N 3.32Å; V195-R197 PolarHBondContact O-N 2.86Å; R197-A199 VanDerWaalsContact C-N 3.34Å; R197-L200 PolarHBondContact O-N 3.38Å; R197-I201 HydrophobicContact CG-CD1 4.01Å; R197-I201 WeakPolarHBondContact O-CG1 3.39Å; R197-I201 PolarHBondContact O-N 2.89Å
198A98.7Very high98.1Very high3 Ų353.6 Ų53.63%0.02528%0.275CS..Hα-helixtrans-64.8-40.2175.300000111.3T152 L153 L156 S194 V195 E196 G202T152-A198 HydrophobicContact CG2-CB 4.16Å; L153-A198 HydrophobicContact CB-CB 4.07Å; L153-A198 HydrophobicContact CD1-CB 4.19Å; L156-A198 HydrophobicContact CD1-CB 4.19Å; S194-A198 VanDerWaalsContact O-CB 3.32Å; S194-A198 WeakPolarHBondContact O-CB 3.28Å; S194-A198 PolarHBondContact O-N 2.86Å; V195-A198 WeakPolarHBondContact O-CB 3.49Å; V195-A198 PolarHBondContact O-N 2.8Å; E196-A198 VanDerWaalsContact C-N 3.32Å; E196-A198 PolarHBondContact O-N 3.17Å; A198-G202 WeakPolarHBondContact O-CA 3.2Å; A198-G202 PolarHBondContact O-N 3.28Å
199A98.3Very high98.1Very high3 Ų353.6 Ų53.63%0.02528%0.275CS..Hα-helixtrans-65.3-42174.500000112.7L156 V195 E196 R197 G202 A203 V204 M206L156-A199 HydrophobicContact CD1-CB 4.33Å; V195-A199 PolarHBondContact O-N 2.99Å; E196-A199 WeakPolarHBondContact O-CB 3.49Å; E196-A199 PolarHBondContact O-N 3.34Å; R197-A199 VanDerWaalsContact C-N 3.34Å; A199-G202 CarbonylContact O-C 3.59Å; A199-G202 PolarHBondContact O-N 3.06Å; A199-A203 PolarHBondContact O-N 2.86Å; A199-V204 HydrophobicContact CB-CG2 3.9Å; A199-V204 PolarHBondContact O-N 2.94Å; A199-M206 HydrophobicContact CB-CB 3.62Å; A199-M206 HydrophobicContact CB-CE 3.66Å; A199-M206 HydrophobicContact CB-CG 4.24Å
200L98.3Very high98.2Very high142 Ų14253.3 Ų53.374%0.74328%0.277SS*.Hα-helixtrans-58.4-51.4175.4179.667.3000111.3E196 R197 G202 A203E196-L200 PolarHBondContact O-N 3.48Å; R197-L200 PolarHBondContact O-N 3.38Å; L200-G202 VanDerWaalsContact C-N 3.33Å; L200-A203 PolarHBondContact O-N 2.88Å
201I98.5Very high98.2Very high107 Ų10753.8 Ų53.855%0.54928%0.281SS..Hα-helixtrans-66.5-38.2178.2-65.3166.9000110.9L153 R197 A203L153-I201 HydrophobicContact CD1-CB 4.12Å; L153-I201 HydrophobicContact CD1-CG2 3.96Å; L153-I201 HydrophobicContact CD2-CB 4.49Å; L153-I201 HydrophobicContact CD2-CD1 4.22Å; L153-I201 HydrophobicContact CD2-CG2 3.95Å; R197-I201 HydrophobicContact CG-CD1 4.01Å; R197-I201 WeakPolarHBondContact O-CG1 3.39Å; R197-I201 PolarHBondContact O-N 2.89Å; I201-A203 PolarHBondContact O-N 2.75Å
202G97.3Very high98.2Very high0 Ų054.1 Ų54.10%028%0.28CS..Hα-helixtrans-72.6-6.3177.100000114.3R160 A198 A199 L200 V204R160-G202 PolarHBondContact NH1-O 3.32Å; A198-G202 WeakPolarHBondContact O-CA 3.2Å; A198-G202 PolarHBondContact O-N 3.28Å; A199-G202 CarbonylContact O-C 3.59Å; A199-G202 PolarHBondContact O-N 3.06Å; L200-G202 VanDerWaalsContact C-N 3.33Å; G202-V204 VanDerWaalsContact C-N 3.31Å; G202-V204 PolarHBondContact O-N 3.26Å
203A97.2Very high98Very high81 Ų8158.4 Ų58.467%0.66930%0.3SS*.THydrogen-bonded Turntrans50.946.6-176.100000113A199 L200 I201A199-A203 PolarHBondContact O-N 2.86Å; L200-A203 PolarHBondContact O-N 2.88Å; I201-A203 PolarHBondContact O-N 2.75Å
204V97.1Very high98Very high17 Ų1760.4 Ų60.410%0.10330%0.302CS..  trans-123.3152.3178.3-65.20000111.3L156 R160 L183 A199 G202 F237L156-V204 HydrophobicContact CD1-CG2 4.04Å; L156-V204 HydrophobicContact CD2-CG2 3.93Å; L156-V204 HydrophobicContact CG-CG2 4.38Å; R160-V204 HydrophobicContact CG-CG1 4.32Å; L183-V204 HydrophobicContact CB-CG1 4.36Å; A199-V204 HydrophobicContact CB-CG2 3.9Å; A199-V204 PolarHBondContact O-N 2.94Å; G202-V204 VanDerWaalsContact C-N 3.31Å; G202-V204 PolarHBondContact O-N 3.26Å; V204-F237 HydrophobicContact CB-CE1 4.15Å; V204-F237 HydrophobicContact CB-CZ 4.13Å; V204-F237 HydrophobicContact CG1-CE1 4.14Å; V204-F237 HydrophobicContact CG1-CZ 3.87Å; V204-F237 HydrophobicContact CG2-CE1 4.42Å; V204-F237 HydrophobicContact CG2-CZ 4.07Å
205M98.4Very high98Very high76 Ų7661.4 Ų61.437%0.37431%0.305SS..EExtended strand (participates in β ladder)trans-67.3138.8172-66.9175.5-75.900109.9S181 L183 V184 A185 L234S181-M205 VanDerWaalsContact O-CE 3.31Å; S181-M205 WeakPolarHBondContact O-CE 3.45Å; L183-M205 VanDerWaalsContact O-CE 3.25Å; L183-M205 WeakPolarHBondContact O-CE 3.5Å; L183-M205 PolarHBondContact O-N 3.2Å; V184-M205 HydrophobicContact CB-CB 4.35Å; V184-M205 HydrophobicContact CG2-CB 4.32Å; A185-M205 PolarHBondContact N-O 3.35Å; M205-L234 HydrophobicContact CE-CD1 4.28Å; M205-L234 HydrophobicContact CE-CD2 3.72Å; M205-L234 HydrophobicContact SD-CD1 4.48Å
206M98.5Very high97.9Very high44 Ų4461.5 Ų61.522%0.21731%0.306CS..EExtended strand (participates in β ladder)trans-125.3126.9176.2-179.861.169.600109.5L156 A185 T187 V195 A199L156-M206 HydrophobicContact CD1-CE 4.26Å; A185-M206 HydrophobicContact CB-CE 3.53Å; A185-M206 HydrophobicContact CB-SD 3.98Å; A185-M206 CarbonylContact O-C 3.53Å; A185-M206 WeakPolarHBondContact O-CA 3.06Å; T187-M206 HydrophobicContact CG2-CG 4.37Å; T187-M206 HydrophobicContact CG2-SD 3.76Å; V195-M206 HydrophobicContact CG1-CE 3.73Å; V195-M206 HydrophobicContact CG1-SD 4.38Å; A199-M206 HydrophobicContact CB-CB 3.62Å; A199-M206 HydrophobicContact CB-CE 3.66Å; A199-M206 HydrophobicContact CB-CG 4.24Å
207R98.6Very high98Very high75 Ų7557.4 Ų57.428%0.28329%0.287SS..EExtended strand (participates in β ladder)trans-111.2135.6172.4-63.4-171.771.1-178.1-5.3110.4V184 A185 Y186 T187 M225 E228 D229V184-R207 HydrophobicContact CG2-CG 3.88Å; A185-R207 PolarHBondContact O-N 3.39Å; Y186-R207 WeakPolarHBondContact CA-O 3.48Å; Y186-R207 HydrophobicContact CD1-CB 4.01Å; Y186-R207 HydrophobicContact CE1-CB 4.21Å; T187-R207 PolarHBondContact N-O 3.05Å; T187-R207 VanDerWaalsContact N-O 3.11Å; R207-M225 HydrophobicContact CB-CE 3.54Å; R207-M225 HydrophobicContact CG-CE 4.37Å; R207-E228 IonicContact NH1-OE2 3.32Å; R207-E228 IonicContact NH2-OE2 3.8Å; R207-D229 WeakPolarHBondContact CD-OD2 3.3Å; R207-D229 IonicContact CZ-OD1 2.74Å; R207-D229 IonicContact CZ-OD2 2.92Å; R207-D229 IonicContact NE-OD2 3.27Å; R207-D229 IonicContact NH1-OD1 3.51Å; R207-D229 PolarHBondContact NH1-OD1 3.43Å; R207-D229 IonicContact NH1-OD2 2.79Å; R207-D229 PolarHBondContact NH1-OD2 2.8Å
208K98.4Very high97.9Very high91 Ų9153.4 Ų53.440%0.39627%0.272SS..EExtended strand (participates in β ladder)trans-87.1124.3171.6-73.3-179.7172.41680109.8T187 D189 E196 M225T187-K208 CarbonylContact O-C 3.5Å; T187-K208 WeakPolarHBondContact O-CA 3.4Å; D189-K208 HydrophobicContact CB-CB 4.07Å; D189-K208 HydrophobicContact CB-CD 4.45Å; E196-K208 WeakPolarHBondContact OE1-CE 3.2Å; E196-K208 IonicContact OE1-NZ 3.98Å; E196-K208 PolarHBondContact OE1-NZ 3.36Å; E196-K208 IonicContact OE2-NZ 3.27Å; E196-K208 PolarHBondContact OE2-NZ 3.1Å; K208-M225 WeakPolarHBondContact O-CE 3.44Å
209V98.7Very high97.9Very high0 Ų055 Ų550%028%0.279CS..EExtended strand (participates in β ladder)trans-86124.8176-171.30000107.9Y186 T187 D189 V217 M221 L222 M225 F239Y186-V209 HydrophobicContact CD1-CG2 4.37Å; T187-V209 PolarHBondContact O-N 3.39Å; D189-V209 PolarHBondContact N-O 2.88Å; V209-V217 HydrophobicContact CB-CG1 4.13Å; V209-V217 HydrophobicContact CB-CG2 4.19Å; V209-V217 HydrophobicContact CG1-CG1 3.68Å; V209-V217 HydrophobicContact CG1-CG2 4.41Å; V209-M221 HydrophobicContact CG1-CB 3.91Å; V209-L222 HydrophobicContact CG1-CB 4.44Å; V209-L222 HydrophobicContact CG2-CD1 3.99Å; V209-M225 HydrophobicContact CB-SD 4.1Å; V209-M225 HydrophobicContact CG1-SD 4Å; V209-M225 HydrophobicContact CG2-CE 4.38Å; V209-M225 HydrophobicContact CG2-SD 3.91Å; V209-F239 HydrophobicContact CG2-CE2 4.43Å
210P98.1Very high97.9Very high56 Ų5662.1 Ų62.136%0.36431%0.312SS..PPolyproline II helixtrans-58.8144.3175.3-23.834.3000111.8M221P210-M221 HydrophobicContact CB-CE 4.2Å; P210-M221 HydrophobicContact CG-CE 3.98Å
211T98.3Very high97.9Very high30 Ų3058.4 Ų58.418%0.18429%0.291CS..PPolyproline II helixtrans-97.8160.3177.747.80000112.5S188 D189 Q190 Y215 A216 V217S188-T211 WeakPolarHBondContact OG-CG2 3.33Å; D189-T211 VanDerWaalsContact OD1-CG2 3.26Å; D189-T211 WeakPolarHBondContact OD1-CG2 3.4Å; D189-T211 PolarHBondContact OD1-OG1 3.26Å; Q190-T211 HydrophobicContact CG-CG2 3.91Å; T211-Y215 VanDerWaalsContact CB-C 3.46Å; T211-Y215 WeakPolarHBondContact CG2-O 3.47Å; T211-A216 WeakPolarHBondContact CA-O 3.28Å; T211-V217 HydrophobicContact CG2-CG2 3.88Å
212D97.2Very high97.9Very high28 Ų2853.3 Ų53.315%0.1527%0.265CS..  trans-77.2-17417368.78.8000112.3H214 Y215 A216 R218D212-H214 PolarHBondContact O-N 3.44Å; D212-H214 VanDerWaalsContact O-N 3.16Å; D212-H214 WeakPolarHBondContact OD1-CA 2.98Å; D212-H214 WeakPolarHBondContact OD1-CB 3.32Å; D212-H214 PolarHBondContact OD1-N 3.49Å; D212-Y215 PolarHBondContact O-N 2.95Å; D212-Y215 PolarHBondContact OD1-N 2.96Å; D212-A216 PolarHBondContact N-O 3.34Å; D212-A216 PolarHBondContact OD1-N 3.24Å; D212-R218 HydrophobicContact CB-CG 4.16Å; D212-R218 WeakPolarHBondContact OD2-CD 3.37Å; D212-R218 IonicContact OD2-NH1 3.37Å; D212-R218 PolarHBondContact OD2-NH1 3.41Å
213E95.7Very high97.9Very high150 Ų15057 Ų5770%0.70128%0.279SS*.THydrogen-bonded Turntrans-62.9-17.3177.966.2-85.1-163.100114.1Y215E213-Y215 VanDerWaalsContact C-N 3.34Å
214H96.4Very high98Very high109 Ų10958.7 Ų58.751%0.50527%0.271SS..THydrogen-bonded Turntrans-94.57174.4-65.6-73.3000112.5D212 A216 A250D212-H214 PolarHBondContact O-N 3.44Å; D212-H214 VanDerWaalsContact O-N 3.16Å; D212-H214 WeakPolarHBondContact OD1-CA 2.98Å; D212-H214 WeakPolarHBondContact OD1-CB 3.32Å; D212-H214 PolarHBondContact OD1-N 3.49Å; H214-A216 PolarHBondContact O-N 3.11Å; H214-A250 WeakPolarHBondContact O-CB 3.28Å
215Y98.1Very high98.1Very high24 Ų2458.5 Ų58.59%0.09427%0.27CS..SBendtrans63.628.4-179-57.2-69.6000113Q190 T211 D212 E213 A250 A403 L441 S442Q190-Y215 HydrophobicContact CG-CD1 4.45Å; T211-Y215 VanDerWaalsContact CB-C 3.46Å; T211-Y215 WeakPolarHBondContact CG2-O 3.47Å; D212-Y215 PolarHBondContact O-N 2.95Å; D212-Y215 PolarHBondContact OD1-N 2.96Å; E213-Y215 VanDerWaalsContact C-N 3.34Å; Y215-A250 WeakPolarHBondContact O-CB 3.32Å; Y215-A403 HydrophobicContact CD2-CB 4.45Å; Y215-A403 HydrophobicContact CE2-CB 4.43Å; Y215-L441 HydrophobicContact CD1-CD2 4.25Å; Y215-L441 HydrophobicContact CD2-CD2 4.49Å; Y215-L441 HydrophobicContact CE1-CB 4.09Å; Y215-L441 HydrophobicContact CE1-CD2 4.11Å; Y215-L441 HydrophobicContact CE2-CB 4.42Å; Y215-L441 HydrophobicContact CE2-CD1 4.17Å; Y215-L441 HydrophobicContact CE2-CD2 4.35Å; Y215-L441 HydrophobicContact CG-CD2 4.45Å; Y215-S442 VanDerWaalsContact CE1-OG 3.26Å; Y215-S442 WeakPolarHBondContact CE1-OG 3.47Å; Y215-S442 PolarHBondContact OH-OG 3.03Å
216A98.1Very high98.1Very high2 Ų254.9 Ų54.92%0.01725%0.252CS..  trans-110.7142.3179.200000111.7T211 D212 H214 F251T211-A216 WeakPolarHBondContact CA-O 3.28Å; D212-A216 PolarHBondContact N-O 3.34Å; D212-A216 PolarHBondContact OD1-N 3.24Å; H214-A216 PolarHBondContact O-N 3.11Å; A216-F251 WeakPolarHBondContact CB-O 3.49Å
217V98.6Very high98.1Very high0 Ų058 Ų580%027%0.266CS..  trans-74.4136.2170.8177.50000109.9S188 V209 T211 F239 D252 H253 L257S188-V217 VanDerWaalsContact CB-CG2 3.46Å; V209-V217 HydrophobicContact CB-CG1 4.13Å; V209-V217 HydrophobicContact CB-CG2 4.19Å; V209-V217 HydrophobicContact CG1-CG1 3.68Å; V209-V217 HydrophobicContact CG1-CG2 4.41Å; T211-V217 HydrophobicContact CG2-CG2 3.88Å; V217-F239 HydrophobicContact CB-CZ 4.38Å; V217-F239 HydrophobicContact CG1-CE2 4.38Å; V217-F239 HydrophobicContact CG1-CZ 4Å; V217-D252 HydrophobicContact CB-CB 4.32Å; V217-D252 WeakPolarHBondContact CB-OD1 3.34Å; V217-D252 WeakPolarHBondContact CG2-OD1 3.43Å; V217-D252 PolarHBondContact N-OD1 3.12Å; V217-H253 PolarHBondContact O-N 3.48Å; V217-L257 HydrophobicContact CB-CD1 4.25Å; V217-L257 HydrophobicContact CG1-CD1 4.17Å; V217-L257 HydrophobicContact CG1-CD2 3.89Å
218R98.2Very high98.1Very high83 Ų8358.6 Ų58.631%0.31327%0.272SS..  trans-112.4153.4175.4-55.5-55.9-68-87.22.3111.6D212 E220 M221 L222 H253 E256D212-R218 HydrophobicContact CB-CG 4.16Å; D212-R218 WeakPolarHBondContact OD2-CD 3.37Å; D212-R218 IonicContact OD2-NH1 3.37Å; D212-R218 PolarHBondContact OD2-NH1 3.41Å; R218-E220 VanDerWaalsContact C-N 3.33Å; R218-E220 PolarHBondContact O-N 2.81Å; R218-M221 PolarHBondContact O-N 2.99Å; R218-L222 PolarHBondContact O-N 2.89Å; R218-H253 WeakPolarHBondContact CD-CD2 3.35Å; R218-E256 IonicContact CZ-OE1 2.74Å; R218-E256 IonicContact CZ-OE2 3.88Å; R218-E256 IonicContact NE-OE1 3.11Å; R218-E256 IonicContact NE-OE2 3.32Å; R218-E256 PolarHBondContact NE-OE2 3.12Å; R218-E256 IonicContact NH2-OE1 2.87Å; R218-E256 PolarHBondContact NH2-OE1 3Å; R218-E256 IonicContact NH2-OE2 3.32Å; R218-E256 PolarHBondContact NH2-OE2 3.38Å
219E97.9Very high98.1Very high38 Ų3854.8 Ų54.818%0.17826%0.256CS..Hα-helixtrans-56.1-45.1-177.1-168.4-75126.400112.5M221 L222 R223 E256 L260E219-M221 VanDerWaalsContact C-N 3.34Å; E219-M221 PolarHBondContact O-N 3.37Å; E219-L222 PolarHBondContact O-N 3.4Å; E219-R223 WeakPolarHBondContact O-CB 3.38Å; E219-R223 PolarHBondContact O-N 2.91Å; E219-R223 WeakPolarHBondContact OE1-CB 3.47Å; E219-R223 IonicContact OE1-CZ 2.91Å; E219-R223 IonicContact OE1-NE 2.75Å; E219-R223 PolarHBondContact OE1-NE 3.4Å; E219-R223 IonicContact OE1-NH1 3.13Å; E219-R223 IonicContact OE1-NH2 3.57Å; E219-R223 PolarHBondContact OE1-NH2 2.96Å; E219-R223 IonicContact OE2-CZ 3.78Å; E219-R223 IonicContact OE2-NE 3.21Å; E219-R223 PolarHBondContact OE2-NE 3.22Å; E219-R223 IonicContact OE2-NH2 2.86Å; E219-R223 PolarHBondContact OE2-NH2 3.36Å; E219-E256 HydrophobicContact CB-CB 3.87Å; E219-E256 WeakPolarHBondContact CG-O 3.44Å; E219-L260 HydrophobicContact CG-CB 4.23Å; E219-L260 HydrophobicContact CG-CD2 4.32Å; E219-L260 WeakPolarHBondContact OE1-CD2 3.5Å
220E97.9Very high98.1Very high151 Ų15158.7 Ų58.771%0.70627%0.273SS*.Hα-helixtrans-54.9-46.7-178.6-176.9-178.6174.400112.6R218 R223 K224R218-E220 VanDerWaalsContact C-N 3.33Å; R218-E220 PolarHBondContact O-N 2.81Å; E220-R223 PolarHBondContact O-N 2.99Å; E220-K224 PolarHBondContact O-N 3.32Å
221M98.1Very high98.1Very high65 Ų6560.3 Ų60.332%0.3229%0.291SS..Hα-helixtrans-68.5-40.4-178-69.7-54.1-58.700112V209 P210 R218 E219 M225V209-M221 HydrophobicContact CG1-CB 3.91Å; P210-M221 HydrophobicContact CB-CE 4.2Å; P210-M221 HydrophobicContact CG-CE 3.98Å; R218-M221 PolarHBondContact O-N 2.99Å; E219-M221 VanDerWaalsContact C-N 3.34Å; E219-M221 PolarHBondContact O-N 3.37Å; M221-M225 WeakPolarHBondContact O-CG 3.49Å; M221-M225 PolarHBondContact O-N 3.31Å
222L98.7Very high98.1Very high0 Ų062.5 Ų62.50%031%0.312CS..Hα-helixtrans-64.3-50.3174.5179.155.8000110.2Y186 V209 R218 E219 K224 M225 L226 F239 L257 L260Y186-L222 HydrophobicContact CD1-CD1 4.02Å; Y186-L222 HydrophobicContact CG-CD1 3.93Å; V209-L222 HydrophobicContact CG1-CB 4.44Å; V209-L222 HydrophobicContact CG2-CD1 3.99Å; R218-L222 PolarHBondContact O-N 2.89Å; E219-L222 PolarHBondContact O-N 3.4Å; L222-K224 VanDerWaalsContact C-N 3.31Å; L222-K224 PolarHBondContact O-N 3.19Å; L222-M225 PolarHBondContact O-N 3.4Å; L222-M225 VanDerWaalsContact O-N 3.08Å; L222-L226 HydrophobicContact CD1-CD1 4.48Å; L222-L226 HydrophobicContact CD1-CD2 3.97Å; L222-L226 HydrophobicContact CD1-CG 4.06Å; L222-L226 HydrophobicContact CG-CD1 4.23Å; L222-L226 HydrophobicContact CG-CG 4.22Å; L222-L226 VanDerWaalsContact O-CG 3.31Å; L222-L226 WeakPolarHBondContact O-CG 3.21Å; L222-L226 PolarHBondContact O-N 2.98Å; L222-F239 HydrophobicContact CD1-CD2 4.37Å; L222-F239 HydrophobicContact CD2-CD1 4.11Å; L222-F239 HydrophobicContact CD2-CD2 4.03Å; L222-F239 HydrophobicContact CD2-CE1 4.25Å; L222-F239 HydrophobicContact CD2-CE2 4.17Å; L222-F239 HydrophobicContact CD2-CG 4.01Å; L222-F239 HydrophobicContact CD2-CZ 4.29Å; L222-L257 HydrophobicContact CB-CD2 4.13Å; L222-L257 HydrophobicContact CD2-CD2 3.76Å; L222-L260 HydrophobicContact CB-CD2 4.04Å; L222-L260 HydrophobicContact CD2-CD2 3.87Å; L222-L260 HydrophobicContact CG-CD2 3.73Å
223R98.7Very high98.1Very high76 Ų7663 Ų6329%0.28732%0.324SS..Hα-helixtrans-51.1-49.1179-178.4-173.6-59.2-70.34.5112.2E219 E220 M225 L226 E227 L260E219-R223 WeakPolarHBondContact O-CB 3.38Å; E219-R223 PolarHBondContact O-N 2.91Å; E219-R223 WeakPolarHBondContact OE1-CB 3.47Å; E219-R223 IonicContact OE1-CZ 2.91Å; E219-R223 IonicContact OE1-NE 2.75Å; E219-R223 PolarHBondContact OE1-NE 3.4Å; E219-R223 IonicContact OE1-NH1 3.13Å; E219-R223 IonicContact OE1-NH2 3.57Å; E219-R223 PolarHBondContact OE1-NH2 2.96Å; E219-R223 IonicContact OE2-CZ 3.78Å; E219-R223 IonicContact OE2-NE 3.21Å; E219-R223 PolarHBondContact OE2-NE 3.22Å; E219-R223 IonicContact OE2-NH2 2.86Å; E219-R223 PolarHBondContact OE2-NH2 3.36Å; E220-R223 PolarHBondContact O-N 2.99Å; R223-M225 VanDerWaalsContact C-N 3.34Å; R223-M225 PolarHBondContact O-N 3.38Å; R223-L226 WeakPolarHBondContact O-CB 3.3Å; R223-L226 PolarHBondContact O-N 3.42Å; R223-L226 VanDerWaalsContact O-N 3.17Å; R223-E227 WeakPolarHBondContact CG-OE1 3.22Å; R223-E227 WeakPolarHBondContact O-CG 3.1Å; R223-E227 PolarHBondContact O-N 2.99Å; R223-L260 HydrophobicContact CB-CD1 4.49Å; R223-L260 HydrophobicContact CB-CD2 4.2Å
224K98.5Very high98.3Very high117 Ų11758 Ų5851%0.50930%0.302SS..Hα-helixtrans-56.2-47.6178.9-175.8-176.6175.2-177.20111.8E220 L222 L226 E227 E228E220-K224 PolarHBondContact O-N 3.32Å; L222-K224 VanDerWaalsContact C-N 3.31Å; L222-K224 PolarHBondContact O-N 3.19Å; K224-L226 VanDerWaalsContact C-N 3.35Å; K224-L226 PolarHBondContact O-N 2.94Å; K224-E227 PolarHBondContact O-N 2.98Å; K224-E228 VanDerWaalsContact CE-OE1 3.29Å; K224-E228 WeakPolarHBondContact CE-OE1 3.07Å; K224-E228 WeakPolarHBondContact O-CG 3.16Å; K224-E228 PolarHBondContact O-N 2.93Å; K224-E228 VanDerWaalsContact O-N 3.07Å
225M98.7Very high98.4Very high13 Ų1354.2 Ų54.26%0.06429%0.285CS..Hα-helixtrans-65.8-37.7178.7-67175.56800112.3Y186 R207 K208 V209 M221 L222 R223 E227 E228 D229Y186-M225 HydrophobicContact CD1-CE 4.25Å; Y186-M225 HydrophobicContact CE1-CB 4.12Å; Y186-M225 HydrophobicContact CE1-CE 4.42Å; R207-M225 HydrophobicContact CB-CE 3.54Å; R207-M225 HydrophobicContact CG-CE 4.37Å; K208-M225 WeakPolarHBondContact O-CE 3.44Å; V209-M225 HydrophobicContact CB-SD 4.1Å; V209-M225 HydrophobicContact CG1-SD 4Å; V209-M225 HydrophobicContact CG2-CE 4.38Å; V209-M225 HydrophobicContact CG2-SD 3.91Å; M221-M225 WeakPolarHBondContact O-CG 3.49Å; M221-M225 PolarHBondContact O-N 3.31Å; L222-M225 PolarHBondContact O-N 3.4Å; L222-M225 VanDerWaalsContact O-N 3.08Å; R223-M225 VanDerWaalsContact C-N 3.34Å; R223-M225 PolarHBondContact O-N 3.38Å; M225-E227 VanDerWaalsContact C-N 3.35Å; M225-E228 PolarHBondContact O-N 2.97Å; M225-D229 WeakPolarHBondContact O-CB 3.45Å; M225-D229 PolarHBondContact O-N 3.35Å
226L98.6Very high98.4Very high0 Ų053.6 Ų53.60%028%0.284CS..Hα-helixtrans-61.8-43.1175.4-62.5-172000111.7Y186 L222 R223 K224 K230 P236 L260 E264 M266Y186-L226 HydrophobicContact CD1-CD2 4.42Å; Y186-L226 HydrophobicContact CD2-CD2 3.94Å; Y186-L226 HydrophobicContact CE1-CD2 3.94Å; Y186-L226 HydrophobicContact CE2-CD2 3.4Å; Y186-L226 VanDerWaalsContact CE2-CD2 3.4Å; Y186-L226 HydrophobicContact CG-CD2 4.42Å; L222-L226 HydrophobicContact CD1-CD1 4.48Å; L222-L226 HydrophobicContact CD1-CD2 3.97Å; L222-L226 HydrophobicContact CD1-CG 4.06Å; L222-L226 HydrophobicContact CG-CD1 4.23Å; L222-L226 HydrophobicContact CG-CG 4.22Å; L222-L226 VanDerWaalsContact O-CG 3.31Å; L222-L226 WeakPolarHBondContact O-CG 3.21Å; L222-L226 PolarHBondContact O-N 2.98Å; R223-L226 WeakPolarHBondContact O-CB 3.3Å; R223-L226 PolarHBondContact O-N 3.42Å; R223-L226 VanDerWaalsContact O-N 3.17Å; K224-L226 VanDerWaalsContact C-N 3.35Å; K224-L226 PolarHBondContact O-N 2.94Å; L226-K230 WeakPolarHBondContact O-CB 3.48Å; L226-K230 WeakPolarHBondContact O-CD 3.38Å; L226-K230 WeakPolarHBondContact O-CG 3.37Å; L226-K230 PolarHBondContact O-N 3.32Å; L226-P236 HydrophobicContact CD2-CB 3.78Å; L226-P236 HydrophobicContact CD2-CG 4.02Å; L226-L260 HydrophobicContact CD1-CD1 4.29Å; L226-L260 HydrophobicContact CD1-CD2 3.89Å; L226-L260 HydrophobicContact CD1-CG 4.04Å; L226-E264 HydrophobicContact CD1-CB 4.43Å; L226-E264 HydrophobicContact CD1-CG 3.91Å; L226-M266 HydrophobicContact CD1-SD 3.73Å; L226-M266 HydrophobicContact CD2-CE 3.99Å; L226-M266 HydrophobicContact CD2-SD 3.55Å; L226-M266 VanDerWaalsContact CD2-SD 3.55Å; L226-M266 HydrophobicContact CG-SD 4.31Å
227E98.6Very high98.4Very high110 Ų11053.5 Ų53.551%0.51428%0.283SS..Hα-helixtrans-64.8-44.5178.6-72173.5-177.100111.6R223 K224 M225 A231R223-E227 WeakPolarHBondContact CG-OE1 3.22Å; R223-E227 WeakPolarHBondContact O-CG 3.1Å; R223-E227 PolarHBondContact O-N 2.99Å; K224-E227 PolarHBondContact O-N 2.98Å; M225-E227 VanDerWaalsContact C-N 3.35Å; E227-A231 WeakPolarHBondContact O-CB 3.47Å; E227-A231 PolarHBondContact O-N 3.33Å
228E98.6Very high98.5Very high87 Ų8753.5 Ų53.541%0.40728%0.283SS..Hα-helixtrans-58.5-48.6174.6-71.5170.1-175.200112R207 K224 M225 A231 A232R207-E228 IonicContact NH1-OE2 3.32Å; R207-E228 IonicContact NH2-OE2 3.8Å; K224-E228 VanDerWaalsContact CE-OE1 3.29Å; K224-E228 WeakPolarHBondContact CE-OE1 3.07Å; K224-E228 WeakPolarHBondContact O-CG 3.16Å; K224-E228 PolarHBondContact O-N 2.93Å; K224-E228 VanDerWaalsContact O-N 3.07Å; M225-E228 PolarHBondContact O-N 2.97Å; E228-A231 PolarHBondContact O-N 2.97Å; E228-A232 PolarHBondContact O-N 2.85Å
229D98.7Very high98.5Very high12 Ų1249.5 Ų49.56%0.06427%0.268CS..Hα-helixtrans-68.3-38.6-177.2-77.3-33.7000112.5V184 Y186 R207 M225 A232 G233 L234V184-D229 HydrophobicContact CG1-CB 4.23Å; Y186-D229 VanDerWaalsContact CE1-OD2 3.23Å; Y186-D229 WeakPolarHBondContact CE1-OD2 3.38Å; Y186-D229 VanDerWaalsContact CZ-OD2 3.25Å; Y186-D229 VanDerWaalsContact OH-CB 3.3Å; Y186-D229 WeakPolarHBondContact OH-CB 3.18Å; Y186-D229 VanDerWaalsContact OH-CG 3.28Å; Y186-D229 PolarHBondContact OH-OD2 3.49Å; R207-D229 WeakPolarHBondContact CD-OD2 3.3Å; R207-D229 IonicContact CZ-OD1 2.74Å; R207-D229 IonicContact CZ-OD2 2.92Å; R207-D229 IonicContact NE-OD2 3.27Å; R207-D229 IonicContact NH1-OD1 3.51Å; R207-D229 PolarHBondContact NH1-OD1 3.43Å; R207-D229 IonicContact NH1-OD2 2.79Å; R207-D229 PolarHBondContact NH1-OD2 2.8Å; M225-D229 WeakPolarHBondContact O-CB 3.45Å; M225-D229 PolarHBondContact O-N 3.35Å; D229-A232 CarbonylContact O-C 3.57Å; D229-A232 PolarHBondContact O-N 3.38Å; D229-G233 PolarHBondContact O-N 3.05Å; D229-L234 HydrophobicContact CB-CB 4.1Å; D229-L234 HydrophobicContact CB-CD1 4.17Å; D229-L234 VanDerWaalsContact O-CB 3.31Å; D229-L234 WeakPolarHBondContact O-CB 3.3Å; D229-L234 PolarHBondContact O-N 3.36Å
230K98.5Very high98.5Very high81 Ų8147.7 Ų47.735%0.35226%0.26SS..Hα-helixtrans-65.1-40.5173.5-74169.6177.8-177.90112L226 A232 G233 P236 E264L226-K230 WeakPolarHBondContact O-CB 3.48Å; L226-K230 WeakPolarHBondContact O-CD 3.38Å; L226-K230 WeakPolarHBondContact O-CG 3.37Å; L226-K230 PolarHBondContact O-N 3.32Å; K230-A232 PolarHBondContact O-N 3.23Å; K230-G233 WeakPolarHBondContact O-CA 3.43Å; K230-G233 PolarHBondContact O-N 3.37Å; K230-P236 HydrophobicContact CG-CG 3.95Å; K230-E264 IonicContact NZ-OE1 3.86Å; K230-E264 PolarHBondContact NZ-OE1 3.01Å; K230-E264 IonicContact NZ-OE2 2.86Å; K230-E264 PolarHBondContact NZ-OE2 2.96Å
231A98.5Very high98.6Very high91 Ų9140.5 Ų40.575%0.75223%0.226SC*.Hα-helixtrans-62.4-31.6174.500000111.7E227 E228 G233E227-A231 WeakPolarHBondContact O-CB 3.47Å; E227-A231 PolarHBondContact O-N 3.33Å; E228-A231 PolarHBondContact O-N 2.97Å; A231-G233 PolarHBondContact O-N 3.48Å
232A98.4Very high98.6Very high75 Ų7537.6 Ų37.662%0.6221%0.212SC*.THydrogen-bonded Turntrans-78.50.7171.600000114.3E228 D229 K230 L234E228-A232 PolarHBondContact O-N 2.85Å; D229-A232 CarbonylContact O-C 3.57Å; D229-A232 PolarHBondContact O-N 3.38Å; K230-A232 PolarHBondContact O-N 3.23Å; A232-L234 VanDerWaalsContact C-N 3.35Å; A232-L234 HydrophobicContact CB-CG 4.48Å
233G97.5Very high98.6Very high40 Ų4037.6 Ų37.641%0.41221%0.212SC..THydrogen-bonded Turntrans78.314.6179.200000114.9D229 K230 A231D229-G233 PolarHBondContact O-N 3.05Å; K230-G233 WeakPolarHBondContact O-CA 3.43Å; K230-G233 PolarHBondContact O-N 3.37Å; A231-G233 PolarHBondContact O-N 3.48Å
234L98.5Very high98.6Very high43 Ų4334.3 Ų34.323%0.22520%0.201CC..  trans-79.1164.3172.2-56.2-174.5000111.3K182 V184 M205 D229 A232 P236K182-L234 CarbonylContact O-C 3.52Å; K182-L234 WeakPolarHBondContact O-CA 3.34Å; V184-L234 HydrophobicContact CB-CD1 4.34Å; V184-L234 HydrophobicContact CG1-CB 3.87Å; V184-L234 HydrophobicContact CG1-CD1 4.32Å; M205-L234 HydrophobicContact CE-CD1 4.28Å; M205-L234 HydrophobicContact CE-CD2 3.72Å; M205-L234 HydrophobicContact SD-CD1 4.48Å; D229-L234 HydrophobicContact CB-CB 4.1Å; D229-L234 HydrophobicContact CB-CD1 4.17Å; D229-L234 VanDerWaalsContact O-CB 3.31Å; D229-L234 WeakPolarHBondContact O-CB 3.3Å; D229-L234 PolarHBondContact O-N 3.36Å; A232-L234 VanDerWaalsContact C-N 3.35Å; A232-L234 HydrophobicContact CB-CG 4.48Å; L234-P236 WeakPolarHBondContact O-CD 3.43Å
235I98.4Very high98.6Very high31 Ų3128.7 Ų28.716%0.15918%0.177CC..EExtended strand (participates in β ladder)trans-118.295.2-177-55.2171.8000108.4T163 V167 I179 K182 L183 V184 F237T163-I235 HydrophobicContact CG2-CG2 4.05Å; V167-I235 HydrophobicContact CG2-CD1 4.47Å; I179-I235 HydrophobicContact CG2-CD1 4.12Å; K182-I235 HydrophobicContact CB-CD1 4.01Å; K182-I235 HydrophobicContact CB-CG1 4.06Å; K182-I235 PolarHBondContact O-N 3.03Å; L183-I235 WeakPolarHBondContact CA-O 3.43Å; L183-I235 HydrophobicContact CD2-CB 3.84Å; L183-I235 HydrophobicContact CD2-CG2 3.75Å; V184-I235 PolarHBondContact N-O 2.95Å; I235-F237 PolarHBondContact O-N 3.18Å
236P98.8Very high98.6Very high10 Ų1030.2 Ų30.27%0.06519%0.187CC..EExtended strand (participates in β ladder)trans-57.4128.4167.8-26.436.3000111.2V184 Y186 L226 K230 L234 M266V184-P236 HydrophobicContact CG1-CB 4.49Å; V184-P236 HydrophobicContact CG1-CG 4.21Å; V184-P236 WeakPolarHBondContact O-CA 3.35Å; Y186-P236 HydrophobicContact CE2-CB 3.79Å; Y186-P236 HydrophobicContact CE2-CG 4.32Å; L226-P236 HydrophobicContact CD2-CB 3.78Å; L226-P236 HydrophobicContact CD2-CG 4.02Å; K230-P236 HydrophobicContact CG-CG 3.95Å; L234-P236 WeakPolarHBondContact O-CD 3.43Å; P236-M266 HydrophobicContact CB-CE 4.27Å; P236-M266 HydrophobicContact CB-CG 4.02Å; P236-M266 HydrophobicContact CB-SD 3.54Å; P236-M266 VanDerWaalsContact CB-SD 3.54Å
237F98.8Very high98.5Very high0 Ų031.3 Ų31.30%019%0.194CC..EExtended strand (participates in β ladder)trans-139.1-19-175.683.7-81.3000115.7L156 A159 R160 T163 L183 V184 A185 V204 I235 W267L156-F237 HydrophobicContact CG-CZ 4.45Å; A159-F237 HydrophobicContact CB-CD2 3.95Å; A159-F237 HydrophobicContact CB-CE2 4.05Å; R160-F237 HydrophobicContact CB-CE2 3.92Å; T163-F237 HydrophobicContact CG2-CB 3.83Å; L183-F237 HydrophobicContact CB-CD1 3.66Å; L183-F237 HydrophobicContact CB-CE1 3.73Å; L183-F237 HydrophobicContact CB-CG 4.47Å; L183-F237 HydrophobicContact CD1-CD1 4.43Å; L183-F237 HydrophobicContact CD2-CB 4.07Å; L183-F237 HydrophobicContact CD2-CD1 4.05Å; L183-F237 HydrophobicContact CD2-CG 4.11Å; L183-F237 HydrophobicContact CG-CD1 4.24Å; V184-F237 WeakPolarHBondContact O-CD1 3.37Å; V184-F237 PolarHBondContact O-N 3.27Å; V184-F237 VanDerWaalsContact O-N 3.16Å; A185-F237 HydrophobicContact CB-CE1 3.76Å; A185-F237 HydrophobicContact CB-CZ 4.01Å; V204-F237 HydrophobicContact CB-CE1 4.15Å; V204-F237 HydrophobicContact CB-CZ 4.13Å; V204-F237 HydrophobicContact CG1-CE1 4.14Å; V204-F237 HydrophobicContact CG1-CZ 3.87Å; V204-F237 HydrophobicContact CG2-CE1 4.42Å; V204-F237 HydrophobicContact CG2-CZ 4.07Å; I235-F237 PolarHBondContact O-N 3.18Å; F237-W267 PolarHBondContact O-N 2.79Å
238Y98.9Very high98.5Very high0 Ų026.2 Ų26.20%017%0.171CC..EExtended strand (participates in β ladder)trans-149.6135.7-172.6179.4-92.6000111.5A155 L156 A159 A185 Y186 C240 M266 W267 H269A155-Y238 HydrophobicContact CB-CE2 4.09Å; L156-Y238 HydrophobicContact CB-CD2 4.5Å; L156-Y238 HydrophobicContact CB-CE1 4.4Å; L156-Y238 HydrophobicContact CB-CE2 4.16Å; L156-Y238 HydrophobicContact CD1-CD1 4.4Å; L156-Y238 HydrophobicContact CD1-CE1 4.29Å; A159-Y238 HydrophobicContact CB-CD2 3.69Å; A159-Y238 HydrophobicContact CB-CG 4.48Å; A185-Y238 CarbonylContact C-O 3.58Å; A185-Y238 WeakPolarHBondContact CA-O 3.5Å; A185-Y238 HydrophobicContact CB-CD1 3.99Å; Y186-Y238 PolarHBondContact N-O 3.03Å; Y238-C240 HydrophobicContact CE1-CB 3.67Å; Y238-M266 WeakPolarHBondContact O-CE 3.25Å; Y238-W267 CarbonylContact C-O 3.26Å; Y238-W267 WeakPolarHBondContact CA-O 3.31Å; Y238-W267 HydrophobicContact CD2-CB 4.02Å; Y238-W267 AromaticContact CD2-CD1 3.71Å; Y238-W267 HydrophobicContact CD2-CG 4.02Å; Y238-W267 AromaticContact CE2-CD1 3.7Å; Y238-W267 HydrophobicContact CE2-CG 4.4Å; Y238-H269 HydrophobicContact CE2-CB 3.65Å; Y238-H269 VanDerWaalsContact OH-CB 3.28Å; Y238-H269 WeakPolarHBondContact OH-CB 3.46Å; Y238-H269 PolarHBondContact OH-CD2 2.9Å
239F98.9Very high98.5Very high0 Ų022.2 Ų22.20%015%0.152CC..EExtended strand (participates in β ladder)trans-128.4125168.7177.3-118.9000109.5Y186 V209 V217 L222 A241 L257 M266 W267 M268 H269Y186-F239 WeakPolarHBondContact O-CA 3.48Å; V209-F239 HydrophobicContact CG2-CE2 4.43Å; V217-F239 HydrophobicContact CB-CZ 4.38Å; V217-F239 HydrophobicContact CG1-CE2 4.38Å; V217-F239 HydrophobicContact CG1-CZ 4Å; L222-F239 HydrophobicContact CD1-CD2 4.37Å; L222-F239 HydrophobicContact CD2-CD1 4.11Å; L222-F239 HydrophobicContact CD2-CD2 4.03Å; L222-F239 HydrophobicContact CD2-CE1 4.25Å; L222-F239 HydrophobicContact CD2-CE2 4.17Å; L222-F239 HydrophobicContact CD2-CG 4.01Å; L222-F239 HydrophobicContact CD2-CZ 4.29Å; F239-A241 HydrophobicContact CD1-CB 4.18Å; F239-A241 HydrophobicContact CE1-CB 3.6Å; F239-A241 HydrophobicContact CZ-CB 4.22Å; F239-L257 HydrophobicContact CE1-CB 4.09Å; F239-L257 HydrophobicContact CE1-CD1 3.73Å; F239-L257 HydrophobicContact CE1-CD2 4.24Å; F239-L257 HydrophobicContact CE1-CG 4.23Å; F239-L257 HydrophobicContact CZ-CD1 3.92Å; F239-L257 HydrophobicContact CZ-CD2 4.33Å; F239-M266 HydrophobicContact CB-CE 3.96Å; F239-W267 PolarHBondContact N-O 3.06Å; F239-M268 HydrophobicContact CD1-CG 4.27Å; F239-M268 HydrophobicContact CD1-SD 4.47Å; F239-M268 WeakPolarHBondContact O-CA 3.45Å; F239-H269 PolarHBondContact O-N 3.06Å
240C98.9Very high98.5Very high0 Ų022.1 Ų22.10%015%0.153CC..EExtended strand (participates in β ladder)trans-97.7104.4169.2-1770000109.3Y186 T187 V195 Y238 H269Y186-C240 PolarHBondContact O-N 2.78Å; T187-C240 PolarHBondContact OG1-O 2.84Å; V195-C240 HydrophobicContact CG1-CB 3.8Å; V195-C240 HydrophobicContact CG2-CB 4.32Å; Y238-C240 HydrophobicContact CE1-CB 3.67Å; C240-H269 CarbonylContact C-O 3.49Å; C240-H269 WeakPolarHBondContact CA-O 3.46Å
241A98.8Very high98.5Very high0 Ų019.4 Ų19.40%014%0.141CC..EExtended strand (participates in β ladder)trans-83.4140.5170.100000109.7F239 D252 I254 H269 I270 D271F239-A241 HydrophobicContact CD1-CB 4.18Å; F239-A241 HydrophobicContact CE1-CB 3.6Å; F239-A241 HydrophobicContact CZ-CB 4.22Å; A241-D252 HydrophobicContact CB-CB 4.37Å; A241-I254 HydrophobicContact CB-CG2 3.62Å; A241-H269 PolarHBondContact N-O 3.38Å; A241-I270 HydrophobicContact CB-CG1 4.36Å; A241-I270 CarbonylContact O-C 3.48Å; A241-I270 WeakPolarHBondContact O-CA 3.37Å; A241-D271 PolarHBondContact O-N 3.38Å
242T98.9Very high98.5Very high3 Ų315.2 Ų15.22%0.01811%0.106CC..EExtended strand (participates in β ladder)trans-113.9123.8-178.5-49.30000110.8T245 D252 D271T242-T245 HydrophobicContact CG2-CG2 3.83Å; T242-D252 PolarHBondContact N-OD2 3.26Å; T242-D252 PolarHBondContact O-N 2.94Å; T242-D271 WeakPolarHBondContact CA-O 3.25Å
243L98.9Very high98.5Very high1 Ų115.1 Ų15.11%0.0059%0.093CC..BIsolated β-bridgetrans-106.4104.5170.4-60-177.8000108.8F251 I254 I270 D271 A272 A275 F279 L288L243-F251 HydrophobicContact CB-CD1 3.84Å; L243-F251 HydrophobicContact CB-CE1 4.26Å; L243-F251 HydrophobicContact CD2-CB 4.28Å; L243-F251 HydrophobicContact CD2-CD1 4.1Å; L243-I254 HydrophobicContact CD1-CD1 4.03Å; L243-I254 HydrophobicContact CD2-CD1 4.3Å; L243-I254 HydrophobicContact CD2-CG1 4.43Å; L243-I254 HydrophobicContact CD2-CG2 4.05Å; L243-I270 HydrophobicContact CB-CG2 4.49Å; L243-I270 HydrophobicContact CD1-CG2 3.65Å; L243-I270 HydrophobicContact CG-CG2 3.76Å; L243-D271 PolarHBondContact N-O 2.96Å; L243-A272 HydrophobicContact CB-CB 4.03Å; L243-A272 WeakPolarHBondContact O-CA 3.35Å; L243-A275 WeakPolarHBondContact O-CB 3.4Å; L243-F279 HydrophobicContact CB-CZ 4.3Å; L243-F279 HydrophobicContact CD1-CE2 3.99Å; L243-F279 HydrophobicContact CD1-CZ 4.06Å; L243-L288 HydrophobicContact CD1-CD1 3.62Å
244G98.5Very high98.5Very high6 Ų613.4 Ų13.46%0.0627%0.074CC..SBendtrans86.568.1-171.200000112.1A250G244-A250 CarbonylContact C-O 3.55Å; G244-A250 WeakPolarHBondContact CA-O 3.44Å; G244-A250 PolarHBondContact N-O 2.96Å
245T98.8Very high98.5Very high0 Ų016.4 Ų16.40%09%0.088CC..  trans-56.3152.7178.164.70000112.3Q190 T242 S248 C249 A250Q190-T245 HydrophobicContact CB-CG2 3.83Å; T242-T245 HydrophobicContact CG2-CG2 3.83Å; T245-S248 PolarHBondContact OG1-OG 3.1Å; T245-C249 WeakPolarHBondContact O-CA 3.36Å; T245-C249 PolarHBondContact O-N 3.26Å; T245-C249 PolarHBondContact OG1-N 3.36Å; T245-A250 HydrophobicContact CG2-CB 4.16Å; T245-A250 PolarHBondContact N-O 3.01Å; T245-A250 WeakPolarHBondContact OG1-CB 3.3Å; T245-A250 PolarHBondContact OG1-N 3.33Å
246T97.6Very high98.4Very high45 Ų4518.5 Ų18.528%0.27610%0.098SC..THydrogen-bonded Turntrans-65.3-45-178.1-58.60000113.1H192 R448H192-T246 PolarHBondContact CD2-OG1 3.09Å; T246-R448 VanDerWaalsContact O-CZ 3.31Å; T246-R448 PolarHBondContact O-NE 2.74Å; T246-R448 VanDerWaalsContact O-NE 3.12Å; T246-R448 PolarHBondContact O-NH2 2.91Å
247P97.8Very high98.4Very high23 Ų2318 Ų1815%0.14910%0.095CC..THydrogen-bonded Turntrans-61.6-50.6-177.7-26.537.7000113.1Q190 C411 C439 L441 R448Q190-P247 WeakPolarHBondContact O-CD 3.37Å; P247-C411 PolarHBondContact O-SG 3.39Å; P247-C411 VanDerWaalsContact O-SG 3.35Å; P247-C439 HydrophobicContact CB-CB 4.05Å; P247-C439 PolarHBondContact O-SG 3.06Å; P247-L441 HydrophobicContact CB-CD2 3.71Å; P247-R448 WeakPolarHBondContact O-CD 3.29Å; P247-R448 PolarHBondContact O-NE 2.76Å; P247-R448 VanDerWaalsContact O-NE 3.08Å
248S98.1Very high98.4Very high3 Ų318 Ų182%0.02110%0.095CC..THydrogen-bonded Turntrans-131.40.3-165.550.90000115.5T245 A250T245-S248 PolarHBondContact OG1-OG 3.1Å; S248-A250 VanDerWaalsContact C-N 3.25Å; S248-A250 PolarHBondContact O-N 3.48Å
249C98.6Very high98.4Very high2 Ų220.7 Ų20.71%0.01411%0.112CC..  trans57.538.1-171.4-165.50000112.5F80 T245 F251 L409F80-C249 HydrophobicContact CZ-CB 4.34Å; T245-C249 WeakPolarHBondContact O-CA 3.36Å; T245-C249 PolarHBondContact O-N 3.26Å; T245-C249 PolarHBondContact OG1-N 3.36Å; C249-F251 WeakPolarHBondContact O-CD2 2.97Å; C249-F251 WeakPolarHBondContact O-CE2 3.42Å; C249-L409 HydrophobicContact CB-CB 4.15Å; C249-L409 HydrophobicContact CB-CD2 3.79Å; C249-L409 HydrophobicContact CB-CG 4.5Å
250A98.6Very high98.4Very high10 Ų1020.9 Ų20.98%0.08311%0.113CC..  trans-75.9166.117200000111.8H214 Y215 G244 T245 S248H214-A250 WeakPolarHBondContact O-CB 3.28Å; Y215-A250 WeakPolarHBondContact O-CB 3.32Å; G244-A250 CarbonylContact C-O 3.55Å; G244-A250 WeakPolarHBondContact CA-O 3.44Å; G244-A250 PolarHBondContact N-O 2.96Å; T245-A250 HydrophobicContact CG2-CB 4.16Å; T245-A250 PolarHBondContact N-O 3.01Å; T245-A250 WeakPolarHBondContact OG1-CB 3.3Å; T245-A250 PolarHBondContact OG1-N 3.33Å; S248-A250 VanDerWaalsContact C-N 3.25Å; S248-A250 PolarHBondContact O-N 3.48Å
251F98.8Very high98.4Very high24 Ų2420.9 Ų20.911%0.10511%0.113CC..BIsolated β-bridgetrans-130.7117.6-174.5-63.7-97.8000110A216 L243 C249 A275 F279 L287 V406 L407A216-F251 WeakPolarHBondContact CB-O 3.49Å; L243-F251 HydrophobicContact CB-CD1 3.84Å; L243-F251 HydrophobicContact CB-CE1 4.26Å; L243-F251 HydrophobicContact CD2-CB 4.28Å; L243-F251 HydrophobicContact CD2-CD1 4.1Å; C249-F251 WeakPolarHBondContact O-CD2 2.97Å; C249-F251 WeakPolarHBondContact O-CE2 3.42Å; F251-A275 HydrophobicContact CE1-CB 3.67Å; F251-A275 HydrophobicContact CZ-CB 3.94Å; F251-F279 HydrophobicContact CE1-CZ 4.31Å; F251-L287 HydrophobicContact CD1-CB 4.06Å; F251-L287 HydrophobicContact CD1-CD1 4.44Å; F251-L287 HydrophobicContact CD1-CD2 4.27Å; F251-L287 HydrophobicContact CD1-CG 4.49Å; F251-L287 HydrophobicContact CD2-CD2 4.21Å; F251-L287 HydrophobicContact CE1-CB 4.12Å; F251-L287 HydrophobicContact CE1-CD1 3.89Å; F251-L287 HydrophobicContact CE1-CG 4.4Å; F251-L287 HydrophobicContact CE2-CD1 4.26Å; F251-L287 HydrophobicContact CE2-CD2 4.45Å; F251-L287 HydrophobicContact CG-CD2 4.14Å; F251-L287 HydrophobicContact CZ-CD1 3.8Å; F251-V406 HydrophobicContact CD2-CG2 4.43Å; F251-V406 HydrophobicContact CE2-CB 3.81Å; F251-V406 HydrophobicContact CE2-CG1 3.69Å; F251-V406 HydrophobicContact CE2-CG2 3.97Å; F251-V406 HydrophobicContact CZ-CG1 4.11Å; F251-L407 HydrophobicContact CZ-CD1 4.02Å; F251-L407 HydrophobicContact CZ-CG 4.42Å
252D98.8Very high98.4Very high4 Ų424.3 Ų24.32%0.02113%0.131CC..  trans-63.2144.3172.7-68.2-28.2000110.7V217 A241 T242 I254 L257V217-D252 HydrophobicContact CB-CB 4.32Å; V217-D252 WeakPolarHBondContact CB-OD1 3.34Å; V217-D252 WeakPolarHBondContact CG2-OD1 3.43Å; V217-D252 PolarHBondContact N-OD1 3.12Å; A241-D252 HydrophobicContact CB-CB 4.37Å; T242-D252 PolarHBondContact N-OD2 3.26Å; T242-D252 PolarHBondContact O-N 2.94Å; D252-I254 VanDerWaalsContact C-N 3.29Å; D252-I254 PolarHBondContact O-N 3.05Å; D252-L257 HydrophobicContact CB-CD1 4.03Å
253H97.9Very high98.3Very high72 Ų7231 Ų3133%0.33316%0.16SC..  trans-7971.8-176.1-73-85.8000112.4V217 R218 M255 E256 L257V217-H253 PolarHBondContact O-N 3.48Å; R218-H253 WeakPolarHBondContact CD-CD2 3.35Å; H253-M255 PolarHBondContact O-N 3.4Å; H253-M255 VanDerWaalsContact O-N 3.14Å; H253-E256 HydrophobicContact CB-CG 4.38Å; H253-E256 PolarHBondContact O-N 3.07Å; H253-L257 WeakPolarHBondContact O-CD1 3.46Å; H253-L257 WeakPolarHBondContact O-CG 3.39Å; H253-L257 PolarHBondContact O-N 2.94Å
254I98.4Very high98.3Very high4 Ų432.8 Ų32.82%0.02117%0.168CC..Hα-helixtrans-62-24.3-172.760.3168.4000114.5A241 L243 D252 E256 L257 G258 I270 D289A241-I254 HydrophobicContact CB-CG2 3.62Å; L243-I254 HydrophobicContact CD1-CD1 4.03Å; L243-I254 HydrophobicContact CD2-CD1 4.3Å; L243-I254 HydrophobicContact CD2-CG1 4.43Å; L243-I254 HydrophobicContact CD2-CG2 4.05Å; D252-I254 VanDerWaalsContact C-N 3.29Å; D252-I254 PolarHBondContact O-N 3.05Å; I254-E256 VanDerWaalsContact C-N 3.31Å; I254-E256 PolarHBondContact O-N 2.89Å; I254-L257 PolarHBondContact O-N 2.91Å; I254-G258 WeakPolarHBondContact O-CA 3.12Å; I254-G258 PolarHBondContact O-N 3.08Å; I254-I270 HydrophobicContact CB-CD1 4.5Å; I254-I270 HydrophobicContact CD1-CD1 3.68Å; I254-I270 HydrophobicContact CG2-CD1 4.23Å; I254-I270 HydrophobicContact CG2-CG1 4.44Å; I254-D289 VanDerWaalsContact CG1-O 3.28Å; I254-D289 WeakPolarHBondContact CG1-O 3.38Å
255M97.9Very high98.2Very high106 Ų10637.6 Ų37.652%0.52219%0.192SC..Hα-helixtrans-65.5-34.4174-169.6-179.2-60.100112.3H253 P259 D289H253-M255 PolarHBondContact O-N 3.4Å; H253-M255 VanDerWaalsContact O-N 3.14Å; M255-P259 WeakPolarHBondContact O-CD 2.87Å; M255-P259 WeakPolarHBondContact O-CG 3.27Å; M255-D289 HydrophobicContact CE-CB 3.23Å
256E97.1Very high98.2Very high76 Ų7637.8 Ų37.836%0.35519%0.193SC..Hα-helixtrans-83.7-37.3175.4-55.5177.7170.500111.1R218 E219 H253 I254R218-E256 IonicContact CZ-OE1 2.74Å; R218-E256 IonicContact CZ-OE2 3.88Å; R218-E256 IonicContact NE-OE1 3.11Å; R218-E256 IonicContact NE-OE2 3.32Å; R218-E256 PolarHBondContact NE-OE2 3.12Å; R218-E256 IonicContact NH2-OE1 2.87Å; R218-E256 PolarHBondContact NH2-OE1 3Å; R218-E256 IonicContact NH2-OE2 3.32Å; R218-E256 PolarHBondContact NH2-OE2 3.38Å; E219-E256 HydrophobicContact CB-CB 3.87Å; E219-E256 WeakPolarHBondContact CG-O 3.44Å; H253-E256 HydrophobicContact CB-CG 4.38Å; H253-E256 PolarHBondContact O-N 3.07Å; I254-E256 VanDerWaalsContact C-N 3.31Å; I254-E256 PolarHBondContact O-N 2.89Å
257L98.6Very high98.2Very high0 Ų035.9 Ų35.90%018%0.181CC..Hα-helixtrans-76.4-36.9-175.2-63.2160.3000113.2V217 L222 F239 D252 H253 I254 L260 C261V217-L257 HydrophobicContact CB-CD1 4.25Å; V217-L257 HydrophobicContact CG1-CD1 4.17Å; V217-L257 HydrophobicContact CG1-CD2 3.89Å; L222-L257 HydrophobicContact CB-CD2 4.13Å; L222-L257 HydrophobicContact CD2-CD2 3.76Å; F239-L257 HydrophobicContact CE1-CB 4.09Å; F239-L257 HydrophobicContact CE1-CD1 3.73Å; F239-L257 HydrophobicContact CE1-CD2 4.24Å; F239-L257 HydrophobicContact CE1-CG 4.23Å; F239-L257 HydrophobicContact CZ-CD1 3.92Å; F239-L257 HydrophobicContact CZ-CD2 4.33Å; D252-L257 HydrophobicContact CB-CD1 4.03Å; H253-L257 WeakPolarHBondContact O-CD1 3.46Å; H253-L257 WeakPolarHBondContact O-CG 3.39Å; H253-L257 PolarHBondContact O-N 2.94Å; I254-L257 PolarHBondContact O-N 2.91Å; L257-L260 WeakPolarHBondContact O-CB 3.5Å; L257-L260 PolarHBondContact O-N 3Å; L257-L260 VanDerWaalsContact O-N 3.17Å; L257-C261 PolarHBondContact O-N 2.99Å
258G98.5Very high98.3Very high0 Ų034.8 Ų34.80%017%0.174CC..Hα-helixtrans-57.4-49.8-177.200000114.4I254 L260 C261 N262 Y293I254-G258 WeakPolarHBondContact O-CA 3.12Å; I254-G258 PolarHBondContact O-N 3.08Å; G258-L260 VanDerWaalsContact C-N 3.28Å; G258-L260 PolarHBondContact O-N 3.35Å; G258-C261 PolarHBondContact O-N 3.09Å; G258-N262 PolarHBondContact O-N 3.17Å; G258-Y293 VanDerWaalsContact CA-CB 3.46Å
259P98.6Very high98.3Very high56 Ų5634.7 Ų34.736%0.36417%0.173SC..Hα-helixtrans-57-38.7174.3-27.435.5000113.4M255 K263 Y293M255-P259 WeakPolarHBondContact O-CD 2.87Å; M255-P259 WeakPolarHBondContact O-CG 3.27Å; P259-K263 WeakPolarHBondContact O-CB 3.27Å; P259-K263 PolarHBondContact O-N 3.12Å; P259-Y293 HydrophobicContact CG-CD2 4.34Å; P259-Y293 HydrophobicContact CG-CE1 4.11Å; P259-Y293 HydrophobicContact CG-CE2 3.84Å
260L98.6Very high98.3Very high4 Ų434.6 Ų34.62%0.02117%0.172CC..Hα-helixtrans-63.8-51.8175.4178.568.9000110.7E219 L222 R223 L226 L257 G258 N262 K263 E264E219-L260 HydrophobicContact CG-CB 4.23Å; E219-L260 HydrophobicContact CG-CD2 4.32Å; E219-L260 WeakPolarHBondContact OE1-CD2 3.5Å; L222-L260 HydrophobicContact CB-CD2 4.04Å; L222-L260 HydrophobicContact CD2-CD2 3.87Å; L222-L260 HydrophobicContact CG-CD2 3.73Å; R223-L260 HydrophobicContact CB-CD1 4.49Å; R223-L260 HydrophobicContact CB-CD2 4.2Å; L226-L260 HydrophobicContact CD1-CD1 4.29Å; L226-L260 HydrophobicContact CD1-CD2 3.89Å; L226-L260 HydrophobicContact CD1-CG 4.04Å; L257-L260 WeakPolarHBondContact O-CB 3.5Å; L257-L260 PolarHBondContact O-N 3Å; L257-L260 VanDerWaalsContact O-N 3.17Å; G258-L260 VanDerWaalsContact C-N 3.28Å; G258-L260 PolarHBondContact O-N 3.35Å; L260-N262 VanDerWaalsContact C-N 3.28Å; L260-N262 PolarHBondContact O-N 3.34Å; L260-K263 PolarHBondContact O-N 3.01Å; L260-E264 HydrophobicContact CD1-CG 3.96Å; L260-E264 HydrophobicContact CG-CG 4.38Å; L260-E264 VanDerWaalsContact O-CG 3.27Å; L260-E264 WeakPolarHBondContact O-CG 3.49Å; L260-E264 PolarHBondContact O-N 3.1Å
261C98.6Very high98.4Very high0 Ų034.4 Ų34.40%017%0.17CC..Hα-helixtrans-55.8-43.9178.9-68.60000112L257 G258 E264 N265 M266 M268L257-C261 PolarHBondContact O-N 2.99Å; G258-C261 PolarHBondContact O-N 3.09Å; C261-E264 CarbonylContact O-C 3.5Å; C261-E264 PolarHBondContact O-N 3.13Å; C261-N265 PolarHBondContact O-N 3.31Å; C261-M266 HydrophobicContact CB-CB 4.35Å; C261-M266 PolarHBondContact O-N 2.93Å; C261-M268 HydrophobicContact CB-CB 4.01Å
262N98.1Very high98.4Very high71 Ų7133.2 Ų33.238%0.3817%0.165SC..Hα-helixtrans-63.5-46.8176.7-83.2-10.6000113G258 L260 E264 N265 Y293G258-N262 PolarHBondContact O-N 3.17Å; L260-N262 VanDerWaalsContact C-N 3.28Å; L260-N262 PolarHBondContact O-N 3.34Å; N262-E264 PolarHBondContact O-N 3.35Å; N262-N265 PolarHBondContact O-N 3.31Å; N262-Y293 WeakPolarHBondContact ND2-CD1 3.27Å
263K98.1Very high98.4Very high144 Ų14433.4 Ų33.463%0.62617%0.167SC*.Hα-helixtrans-56.7-39176.8-179.2-177.3176-174.30111.1P259 L260 N265P259-K263 WeakPolarHBondContact O-CB 3.27Å; P259-K263 PolarHBondContact O-N 3.12Å; L260-K263 PolarHBondContact O-N 3.01Å; K263-N265 VanDerWaalsContact C-N 3.28Å; K263-N265 PolarHBondContact O-N 3.01Å
264E97.8Very high98.4Very high39 Ų3930 Ų3018%0.18215%0.152CC..THydrogen-bonded Turntrans-87.93-177.9-55-63.3-160.800114L226 K230 L260 C261 N262 M266L226-E264 HydrophobicContact CD1-CB 4.43Å; L226-E264 HydrophobicContact CD1-CG 3.91Å; K230-E264 IonicContact NZ-OE1 3.86Å; K230-E264 PolarHBondContact NZ-OE1 3.01Å; K230-E264 IonicContact NZ-OE2 2.86Å; K230-E264 PolarHBondContact NZ-OE2 2.96Å; L260-E264 HydrophobicContact CD1-CG 3.96Å; L260-E264 HydrophobicContact CG-CG 4.38Å; L260-E264 VanDerWaalsContact O-CG 3.27Å; L260-E264 WeakPolarHBondContact O-CG 3.49Å; L260-E264 PolarHBondContact O-N 3.1Å; C261-E264 CarbonylContact O-C 3.5Å; C261-E264 PolarHBondContact O-N 3.13Å; N262-E264 PolarHBondContact O-N 3.35Å; E264-M266 HydrophobicContact CB-CG 4.07Å; E264-M266 HydrophobicContact CB-SD 4.17Å; E264-M266 PolarHBondContact O-N 2.98Å
265N97Very high98.4Very high106 Ų10629.9 Ų29.957%0.56715%0.151SC*.THydrogen-bonded Turntrans49.139-174.5-55-94.2000112.3R166 C261 N262 K263R166-N265 PolarHBondContact NH1-O 2.94Å; C261-N265 PolarHBondContact O-N 3.31Å; N262-N265 PolarHBondContact O-N 3.31Å; K263-N265 VanDerWaalsContact C-N 3.28Å; K263-N265 PolarHBondContact O-N 3.01Å
266M98.2Very high98.5Very high4 Ų424.8 Ų24.82%0.0213%0.126CC..  trans-92.7141.7172.6-70.4176.558.100109.7Y186 L226 P236 Y238 F239 C261 E264 M268Y186-M266 HydrophobicContact CD2-CE 3.46Å; Y186-M266 VanDerWaalsContact CD2-CE 3.46Å; Y186-M266 HydrophobicContact CE2-CE 3.86Å; Y186-M266 HydrophobicContact CG-CE 4.45Å; L226-M266 HydrophobicContact CD1-SD 3.73Å; L226-M266 HydrophobicContact CD2-CE 3.99Å; L226-M266 HydrophobicContact CD2-SD 3.55Å; L226-M266 VanDerWaalsContact CD2-SD 3.55Å; L226-M266 HydrophobicContact CG-SD 4.31Å; P236-M266 HydrophobicContact CB-CE 4.27Å; P236-M266 HydrophobicContact CB-CG 4.02Å; P236-M266 HydrophobicContact CB-SD 3.54Å; P236-M266 VanDerWaalsContact CB-SD 3.54Å; Y238-M266 WeakPolarHBondContact O-CE 3.25Å; F239-M266 HydrophobicContact CB-CE 3.96Å; C261-M266 HydrophobicContact CB-CB 4.35Å; C261-M266 PolarHBondContact O-N 2.93Å; E264-M266 HydrophobicContact CB-CG 4.07Å; E264-M266 HydrophobicContact CB-SD 4.17Å; E264-M266 PolarHBondContact O-N 2.98Å; M266-M268 PolarHBondContact O-N 2.86Å
267W98.9Very high98.5Very high6 Ų621.2 Ų21.22%0.02311%0.109CC..EExtended strand (participates in β ladder)trans-68.6124.3171-174.6-68.5000110.1A158 A159 K162 F237 Y238 F239 D295 S296 V316 D321A158-W267 HydrophobicContact CB-CH2 4.1Å; A158-W267 HydrophobicContact CB-CZ3 4.34Å; A159-W267 HydrophobicContact CB-CB 3.4Å; A159-W267 HydrophobicContact CB-CD2 3.75Å; A159-W267 HydrophobicContact CB-CE3 3.91Å; A159-W267 HydrophobicContact CB-CG 3.55Å; K162-W267 HydrophobicContact CD-CE3 3.95Å; K162-W267 HydrophobicContact CD-CZ3 3.93Å; F237-W267 PolarHBondContact O-N 2.79Å; Y238-W267 CarbonylContact C-O 3.26Å; Y238-W267 WeakPolarHBondContact CA-O 3.31Å; Y238-W267 HydrophobicContact CD2-CB 4.02Å; Y238-W267 AromaticContact CD2-CD1 3.71Å; Y238-W267 HydrophobicContact CD2-CG 4.02Å; Y238-W267 AromaticContact CE2-CD1 3.7Å; Y238-W267 HydrophobicContact CE2-CG 4.4Å; F239-W267 PolarHBondContact N-O 3.06Å; W267-D295 VanDerWaalsContact CA-OD2 3.28Å; W267-D295 WeakPolarHBondContact CA-OD2 3.31Å; W267-D295 HydrophobicContact CD2-CB 3.47Å; W267-D295 VanDerWaalsContact CD2-CB 3.47Å; W267-D295 HydrophobicContact CE3-CB 3.96Å; W267-D295 HydrophobicContact CG-CB 3.85Å; W267-D295 HydrophobicContact CH2-CB 4.18Å; W267-D295 HydrophobicContact CZ2-CB 3.72Å; W267-D295 HydrophobicContact CZ3-CB 4.28Å; W267-S296 PolarHBondContact NE1-OG 2.94Å; W267-V316 HydrophobicContact CZ2-CG1 4.46Å; W267-D321 HydrophobicContact CH2-CB 3.94Å; W267-D321 HydrophobicContact CZ3-CB 3.71Å
268M98.9Very high98.6Very high0 Ų021.2 Ų21.20%011%0.109CC..EExtended strand (participates in β ladder)trans-100.2114.9169.2-171.9171.171.700110.4F239 C261 M266 I270 A294 D295 S296F239-M268 HydrophobicContact CD1-CG 4.27Å; F239-M268 HydrophobicContact CD1-SD 4.47Å; F239-M268 WeakPolarHBondContact O-CA 3.45Å; C261-M268 HydrophobicContact CB-CB 4.01Å; M266-M268 PolarHBondContact O-N 2.86Å; M268-I270 HydrophobicContact CE-CD1 4.32Å; M268-A294 HydrophobicContact CE-CB 3.95Å; M268-D295 PolarHBondContact N-OD2 2.94Å; M268-D295 PolarHBondContact O-N 3.45Å; M268-S296 PolarHBondContact O-N 3Å
269H98.9Very high98.6Very high0 Ų021.2 Ų21.20%011%0.109CC..EExtended strand (participates in β ladder)trans-102.6133.1170.3177.155.3000109.4T152 A155 Y238 F239 C240 A241 S296 N298T152-H269 WeakPolarHBondContact CA-NE2 3.44Å; T152-H269 PolarHBondContact OG1-NE2 2.89Å; A155-H269 HydrophobicContact CB-CB 4.11Å; Y238-H269 HydrophobicContact CE2-CB 3.65Å; Y238-H269 VanDerWaalsContact OH-CB 3.28Å; Y238-H269 WeakPolarHBondContact OH-CB 3.46Å; Y238-H269 PolarHBondContact OH-CD2 2.9Å; F239-H269 PolarHBondContact O-N 3.06Å; C240-H269 CarbonylContact C-O 3.49Å; C240-H269 WeakPolarHBondContact CA-O 3.46Å; A241-H269 PolarHBondContact N-O 3.38Å; H269-S296 CarbonylContact C-O 3.53Å; H269-S296 WeakPolarHBondContact CA-O 3.45Å; H269-S296 PolarHBondContact ND1-OG 2.7Å; H269-N298 PolarHBondContact CE1-OD1 3.48Å; H269-N298 PolarHBondContact NE2-OD1 2.69Å
270I98.9Very high98.6Very high0 Ų018.5 Ų18.50%09%0.091CC..EExtended strand (participates in β ladder)trans-105.2114.1173.8-63.3178000109.4A241 L243 I254 M268 A272 I291 A294 S296 F297 N298A241-I270 HydrophobicContact CB-CG1 4.36Å; A241-I270 CarbonylContact O-C 3.48Å; A241-I270 WeakPolarHBondContact O-CA 3.37Å; L243-I270 HydrophobicContact CB-CG2 4.49Å; L243-I270 HydrophobicContact CD1-CG2 3.65Å; L243-I270 HydrophobicContact CG-CG2 3.76Å; I254-I270 HydrophobicContact CB-CD1 4.5Å; I254-I270 HydrophobicContact CD1-CD1 3.68Å; I254-I270 HydrophobicContact CG2-CD1 4.23Å; I254-I270 HydrophobicContact CG2-CG1 4.44Å; M268-I270 HydrophobicContact CE-CD1 4.32Å; I270-A272 HydrophobicContact CG2-CB 4.44Å; I270-I291 HydrophobicContact CD1-CD1 3.66Å; I270-A294 HydrophobicContact CD1-CB 3.71Å; I270-A294 HydrophobicContact CG1-CB 4Å; I270-S296 PolarHBondContact N-O 3.28Å; I270-F297 HydrophobicContact CB-CD2 3.94Å; I270-F297 HydrophobicContact CG2-CD2 3.7Å; I270-F297 HydrophobicContact CG2-CE2 4.15Å; I270-F297 WeakPolarHBondContact O-CA 3.34Å; I270-N298 PolarHBondContact O-N 3.38Å; I270-N298 PolarHBondContact O-OD1 2.98Å
271D98.9Very high98.6Very high6 Ų618.3 Ų18.33%0.0329%0.09CC..EExtended strand (participates in β ladder)trans-90.1107.9166.8-176.38.8000109.8A241 T242 L243 A273 N298A241-D271 PolarHBondContact O-N 3.38Å; T242-D271 WeakPolarHBondContact CA-O 3.25Å; L243-D271 PolarHBondContact N-O 2.96Å; D271-A273 VanDerWaalsContact OD1-CB 3.27Å; D271-A273 WeakPolarHBondContact OD1-CB 3.39Å; D271-A273 PolarHBondContact OD1-N 3.43Å; D271-N298 WeakPolarHBondContact CA-OD1 3.36Å; D271-N298 PolarHBondContact OD1-ND2 3.4Å; D271-N298 VanDerWaalsContact OD1-ND2 3.08Å
272A98.8Very high98.6Very high0 Ų021.4 Ų21.40%011%0.111CC..  trans-11531.6173.900000111.5L243 I270 Y274 A275 G276 F279 F297 N298 F299L243-A272 HydrophobicContact CB-CB 4.03Å; L243-A272 WeakPolarHBondContact O-CA 3.35Å; I270-A272 HydrophobicContact CG2-CB 4.44Å; A272-Y274 CarbonylContact O-C 3.54Å; A272-Y274 PolarHBondContact O-N 2.92Å; A272-A275 PolarHBondContact O-N 3.43Å; A272-G276 WeakPolarHBondContact O-CA 3.18Å; A272-G276 PolarHBondContact O-N 2.93Å; A272-F279 HydrophobicContact CB-CE2 4.21Å; A272-F297 HydrophobicContact CB-CD2 4.39Å; A272-F297 HydrophobicContact CB-CE2 3.52Å; A272-F297 HydrophobicContact CB-CZ 4.04Å; A272-N298 CarbonylContact C-O 3.53Å; A272-N298 WeakPolarHBondContact CA-O 3.46Å; A272-N298 WeakPolarHBondContact CB-O 3.43Å; A272-N298 PolarHBondContact N-O 3.22Å; A272-F299 HydrophobicContact CB-CB 4.26Å; A272-F299 WeakPolarHBondContact O-CB 3.45Å
273A98.8Very high98.6Very high8 Ų822.4 Ų22.47%0.06611%0.113CC..THydrogen-bonded Turntrans-38.3-49.1-170.900000114.5A148 D271 N300 K303A148-A273 HydrophobicContact CB-CB 3.83Å; D271-A273 VanDerWaalsContact OD1-CB 3.27Å; D271-A273 WeakPolarHBondContact OD1-CB 3.39Å; D271-A273 PolarHBondContact OD1-N 3.43Å; A273-N300 WeakPolarHBondContact O-CB 3.43Å; A273-N300 PolarHBondContact O-N 3Å; A273-K303 HydrophobicContact CB-CD 4.25Å; A273-K303 WeakPolarHBondContact O-CD 3.24Å
274Y98.8Very high98.6Very high1 Ų116.9 Ų16.90%0.0049%0.089CC..THydrogen-bonded Turntrans-88.8-60176.5172-113.5000112.5F80 P81 A272 G276 F304 L407 G408F80-Y274 HydrophobicContact CB-CD2 4.12Å; F80-Y274 HydrophobicContact CB-CG 4.48Å; F80-Y274 AromaticContact CD1-CD1 3.7Å; F80-Y274 HydrophobicContact CD1-CD1 3.7Å; F80-Y274 AromaticContact CD1-CD2 3.54Å; F80-Y274 HydrophobicContact CD1-CD2 3.54Å; F80-Y274 AromaticContact CD1-CE1 3.9Å; F80-Y274 HydrophobicContact CD1-CE1 3.9Å; F80-Y274 AromaticContact CD1-CE2 3.77Å; F80-Y274 HydrophobicContact CD1-CE2 3.77Å; F80-Y274 AromaticContact CD1-CG 3.51Å; F80-Y274 HydrophobicContact CD1-CG 3.51Å; F80-Y274 AromaticContact CD1-CZ 3.94Å; F80-Y274 HydrophobicContact CD2-CG 4.07Å; F80-Y274 AromaticContact CE1-CD1 3.24Å; F80-Y274 HydrophobicContact CE1-CD1 3.24Å; F80-Y274 HydrophobicContact CE1-CD2 4.02Å; F80-Y274 AromaticContact CE1-CE1 3.45Å; F80-Y274 HydrophobicContact CE1-CE1 3.45Å; F80-Y274 VanDerWaalsContact CE1-CE1 3.45Å; F80-Y274 HydrophobicContact CE1-CE2 4.2Å; F80-Y274 AromaticContact CE1-CG 3.55Å; F80-Y274 HydrophobicContact CE1-CG 3.55Å; F80-Y274 AromaticContact CE1-CZ 3.93Å; F80-Y274 HydrophobicContact CE2-CD1 4.18Å; F80-Y274 HydrophobicContact CE2-CG 4.06Å; F80-Y274 HydrophobicContact CG-CD1 4.36Å; F80-Y274 AromaticContact CG-CD2 3.85Å; F80-Y274 HydrophobicContact CG-CD2 3.85Å; F80-Y274 HydrophobicContact CG-CE2 4.47Å; F80-Y274 AromaticContact CG-CG 3.79Å; F80-Y274 HydrophobicContact CG-CG 3.79Å; F80-Y274 AromaticContact CZ-CD1 3.51Å; F80-Y274 HydrophobicContact CZ-CD1 3.51Å; F80-Y274 HydrophobicContact CZ-CE1 4.13Å; F80-Y274 AromaticContact CZ-CG 3.83Å; F80-Y274 HydrophobicContact CZ-CG 3.83Å; P81-Y274 HydrophobicContact CG-CE2 4.08Å; A272-Y274 CarbonylContact O-C 3.54Å; A272-Y274 PolarHBondContact O-N 2.92Å; Y274-G276 VanDerWaalsContact C-N 3.26Å; Y274-G276 PolarHBondContact O-N 3.38Å; Y274-F304 HydrophobicContact CD2-CB 4.19Å; Y274-F304 HydrophobicContact CD2-CD1 4.34Å; Y274-F304 HydrophobicContact CD2-CG 4.36Å; Y274-F304 HydrophobicContact CE2-CB 4.06Å; Y274-F304 AromaticContact CE2-CD1 3.67Å; Y274-F304 HydrophobicContact CE2-CD1 3.67Å; Y274-F304 HydrophobicContact CE2-CD2 4.18Å; Y274-F304 HydrophobicContact CE2-CE1 4.04Å; Y274-F304 AromaticContact CE2-CG 3.76Å; Y274-F304 HydrophobicContact CE2-CG 3.76Å; Y274-F304 HydrophobicContact CE2-CZ 4.45Å; Y274-F304 AromaticContact CZ-CD1 3.95Å; Y274-F304 AromaticContact CZ-CE1 3.9Å; Y274-L407 HydrophobicContact CE1-CB 4.12Å; Y274-L407 HydrophobicContact CE1-CD1 4.23Å; Y274-G408 WeakPolarHBondContact OH-CA 3.47Å; Y274-G408 PolarHBondContact OH-N 3.12Å; Y274-G408 VanDerWaalsContact OH-N 3.1Å
275A98.8Very high98.7Very high0 Ų016.9 Ų16.90%09%0.087CC..G310 helixtrans-68.6-22.2-16900000114L243 F251 A272 S277 A278 F279 L407L243-A275 WeakPolarHBondContact O-CB 3.4Å; F251-A275 HydrophobicContact CE1-CB 3.67Å; F251-A275 HydrophobicContact CZ-CB 3.94Å; A272-A275 PolarHBondContact O-N 3.43Å; A275-S277 PolarHBondContact O-N 3.5Å; A275-S277 VanDerWaalsContact O-N 3.1Å; A275-A278 WeakPolarHBondContact O-CA 3.3Å; A275-A278 WeakPolarHBondContact O-CB 3.48Å; A275-A278 PolarHBondContact O-N 3.2Å; A275-F279 HydrophobicContact CB-CZ 4.26Å; A275-L407 HydrophobicContact CB-CD1 3.55Å
276G98.7Very high98.7Very high0 Ų015.8 Ų15.80%09%0.086CC..G310 helixtrans-57.7-29.2-178.400000113.9L126 A272 Y274 A278 F279L126-G276 WeakPolarHBondContact CD2-O 3.19Å; A272-G276 WeakPolarHBondContact O-CA 3.18Å; A272-G276 PolarHBondContact O-N 2.93Å; Y274-G276 VanDerWaalsContact C-N 3.26Å; Y274-G276 PolarHBondContact O-N 3.38Å; G276-A278 VanDerWaalsContact C-N 3.25Å; G276-A278 PolarHBondContact O-N 3.19Å; G276-F279 PolarHBondContact O-N 2.8Å
277S98.7Very high98.7Very high0 Ų018 Ų180%010%0.097CC..G310 helixtrans-63-34.9173.5-55.20000111.5A275 F279 I280 F299 I379A275-S277 PolarHBondContact O-N 3.5Å; A275-S277 VanDerWaalsContact O-N 3.1Å; S277-F279 PolarHBondContact O-N 3Å; S277-I280 WeakPolarHBondContact O-CG1 3.36Å; S277-I280 PolarHBondContact O-N 2.89Å; S277-F299 VanDerWaalsContact N-CD2 3.31Å; S277-F299 WeakPolarHBondContact OG-CD2 3.47Å; S277-F299 WeakPolarHBondContact OG-CE2 3.42Å; S277-I379 WeakPolarHBondContact O-CD1 3.38Å
278A98.8Very high98.7Very high0 Ų018 Ų180%010%0.098CC..G310 helixtrans-64.4-27.3-176.700000113A275 G276 I280 C281 F284 I379 L407A275-A278 WeakPolarHBondContact O-CA 3.3Å; A275-A278 WeakPolarHBondContact O-CB 3.48Å; A275-A278 PolarHBondContact O-N 3.2Å; G276-A278 VanDerWaalsContact C-N 3.25Å; G276-A278 PolarHBondContact O-N 3.19Å; A278-I280 PolarHBondContact O-N 3.25Å; A278-I280 VanDerWaalsContact O-N 3.09Å; A278-C281 WeakPolarHBondContact O-CB 3.34Å; A278-C281 PolarHBondContact O-N 3.32Å; A278-F284 HydrophobicContact CB-CB 4.17Å; A278-F284 HydrophobicContact CB-CD2 3.87Å; A278-F284 HydrophobicContact CB-CG 4.17Å; A278-I379 HydrophobicContact CB-CG2 4.2Å; A278-L407 HydrophobicContact CB-CD1 3.91Å; A278-L407 HydrophobicContact CB-CD2 3.74Å
279F98.8Very high98.7Very high0 Ų021.9 Ų21.90%012%0.118CC..G310 helixtrans-71.2-5.4-175.9-49.5-35.3000114L126 L243 F251 A272 A275 G276 S277 C281 F284 R285 L287 L288 F297L126-F279 HydrophobicContact CD2-CB 3.82Å; L243-F279 HydrophobicContact CB-CZ 4.3Å; L243-F279 HydrophobicContact CD1-CE2 3.99Å; L243-F279 HydrophobicContact CD1-CZ 4.06Å; F251-F279 HydrophobicContact CE1-CZ 4.31Å; A272-F279 HydrophobicContact CB-CE2 4.21Å; A275-F279 HydrophobicContact CB-CZ 4.26Å; G276-F279 PolarHBondContact O-N 2.8Å; S277-F279 PolarHBondContact O-N 3Å; F279-C281 PolarHBondContact O-N 2.95Å; F279-F284 HydrophobicContact CD1-CB 4.26Å; F279-F284 WeakPolarHBondContact CD1-O 3.49Å; F279-R285 HydrophobicContact CB-CG 4.43Å; F279-R285 VanDerWaalsContact O-CG 3.26Å; F279-R285 WeakPolarHBondContact O-CG 3.5Å; F279-R285 PolarHBondContact O-NE 3.49Å; F279-L287 HydrophobicContact CE1-CB 3.78Å; F279-L287 HydrophobicContact CE1-CD1 4.34Å; F279-L287 HydrophobicContact CZ-CB 4.28Å; F279-L288 HydrophobicContact CB-CD2 4.16Å; F279-L288 HydrophobicContact CD1-CB 4.46Å; F279-L288 HydrophobicContact CD2-CB 4.07Å; F279-L288 HydrophobicContact CD2-CD1 3.99Å; F279-L288 HydrophobicContact CD2-CD2 3.72Å; F279-L288 HydrophobicContact CD2-CG 4.13Å; F279-L288 HydrophobicContact CE2-CB 4.15Å; F279-L288 HydrophobicContact CE2-CD1 3.84Å; F279-L288 HydrophobicContact CE2-CD2 4.4Å; F279-L288 HydrophobicContact CE2-CG 4.34Å; F279-L288 HydrophobicContact CG-CB 4.23Å; F279-L288 HydrophobicContact CG-CD2 4.1Å; F279-L288 HydrophobicContact CZ-CB 4.4Å; F279-F297 HydrophobicContact CD2-CZ 4.48Å
280I98.8Very high98.6Very high0 Ų021.9 Ų21.90%012%0.119CC..G310 helixtrans-67.4-20164.474.6168.3000111.8M125 L126 S277 A278 L305 L372 L375 Q376 I379M125-I280 HydrophobicContact CB-CG2 4.08Å; M125-I280 HydrophobicContact CE-CD1 4.44Å; M125-I280 HydrophobicContact CE-CG2 4.27Å; L126-I280 HydrophobicContact CD2-CG2 3.79Å; L126-I280 HydrophobicContact CG-CG2 4.42Å; S277-I280 WeakPolarHBondContact O-CG1 3.36Å; S277-I280 PolarHBondContact O-N 2.89Å; A278-I280 PolarHBondContact O-N 3.25Å; A278-I280 VanDerWaalsContact O-N 3.09Å; I280-L305 HydrophobicContact CD1-CD1 3.66Å; I280-L372 HydrophobicContact CB-CD1 4.06Å; I280-L372 HydrophobicContact CD1-CD1 4.17Å; I280-L372 HydrophobicContact CG1-CD1 4.46Å; I280-L375 HydrophobicContact CD1-CB 3.57Å; I280-Q376 HydrophobicContact CD1-CG 4.1Å; I280-Q376 HydrophobicContact CG1-CG 4.03Å; I280-Q376 PolarHBondContact O-NE2 3.22Å; I280-I379 HydrophobicContact CD1-CD1 3.75Å; I280-I379 HydrophobicContact CG1-CD1 3.7Å
281C98.9Very high98.6Very high0 Ų022.5 Ų22.50%012%0.122CC..SBendtrans-92.2122174-48.50000108.9A278 F279 E283 F284A278-C281 WeakPolarHBondContact O-CB 3.34Å; A278-C281 PolarHBondContact O-N 3.32Å; F279-C281 PolarHBondContact O-N 2.95Å; C281-E283 HydrophobicContact CB-CG 4.47Å; C281-E283 WeakPolarHBondContact CB-OE2 3.37Å; C281-E283 PolarHBondContact O-N 2.92Å; C281-E283 VanDerWaalsContact O-N 3.15Å; C281-F284 HydrophobicContact CB-CD2 3.71Å; C281-F284 HydrophobicContact CB-CE2 4.15Å; C281-F284 PolarHBondContact O-N 3.01Å; C281-F284 VanDerWaalsContact O-N 3.11Å
282P98.6Very high98.6Very high65 Ų6526.3 Ų26.342%0.42214%0.139SC..G310 helixtrans-53.9-35.8-175.6-28.635.5000115F284 R285P282-F284 PolarHBondContact O-N 2.8Å; P282-R285 WeakPolarHBondContact O-CB 3.33Å; P282-R285 PolarHBondContact O-N 3.38Å
283E98.8Very high98.6Very high91 Ų9129.7 Ų29.743%0.42515%0.153SC..G310 helixtrans-66.8-17.9-178.364.6-89.7-149.600114.6C281 R380C281-E283 HydrophobicContact CB-CG 4.47Å; C281-E283 WeakPolarHBondContact CB-OE2 3.37Å; C281-E283 PolarHBondContact O-N 2.92Å; C281-E283 VanDerWaalsContact O-N 3.15Å; E283-R380 IonicContact OE1-CZ 3.85Å; E283-R380 IonicContact OE1-NE 3.79Å; E283-R380 PolarHBondContact OE1-NE 3.35Å; E283-R380 IonicContact OE1-NH2 2.85Å; E283-R380 PolarHBondContact OE1-NH2 3.5Å; E283-R380 VanDerWaalsContact OE1-NH2 3.14Å; E283-R380 IonicContact OE2-CZ 3.01Å; E283-R380 IonicContact OE2-NE 3.97Å; E283-R380 IonicContact OE2-NH2 3.61Å; E283-R380 PolarHBondContact OE2-NH2 3.15Å
284F98.8Very high98.6Very high28 Ų2829.3 Ų29.312%0.12315%0.15CC..G310 helixtrans-100.2-7.3176.1-58.9-54.4000113.1A278 F279 C281 P282 L287 I379 V383 L407A278-F284 HydrophobicContact CB-CB 4.17Å; A278-F284 HydrophobicContact CB-CD2 3.87Å; A278-F284 HydrophobicContact CB-CG 4.17Å; F279-F284 HydrophobicContact CD1-CB 4.26Å; F279-F284 WeakPolarHBondContact CD1-O 3.49Å; C281-F284 HydrophobicContact CB-CD2 3.71Å; C281-F284 HydrophobicContact CB-CE2 4.15Å; C281-F284 PolarHBondContact O-N 3.01Å; C281-F284 VanDerWaalsContact O-N 3.11Å; P282-F284 PolarHBondContact O-N 2.8Å; F284-L287 HydrophobicContact CB-CD1 4.48Å; F284-L287 WeakPolarHBondContact O-CB 3.19Å; F284-L287 PolarHBondContact O-N 3.49Å; F284-I379 HydrophobicContact CD2-CG2 4.45Å; F284-I379 HydrophobicContact CE2-CG2 4.08Å; F284-V383 HydrophobicContact CE1-CG1 4.46Å; F284-V383 HydrophobicContact CE2-CG2 4.27Å; F284-V383 HydrophobicContact CZ-CB 4.27Å; F284-V383 HydrophobicContact CZ-CG1 4.02Å; F284-V383 HydrophobicContact CZ-CG2 3.92Å; F284-L407 HydrophobicContact CD1-CD2 3.79Å; F284-L407 HydrophobicContact CD2-CD2 4.26Å; F284-L407 HydrophobicContact CE1-CD2 3.84Å; F284-L407 HydrophobicContact CE2-CD2 4.34Å; F284-L407 HydrophobicContact CG-CD2 4.03Å; F284-L407 HydrophobicContact CZ-CD2 4.15Å
285R98.2Very high98.6Very high40 Ų4030.2 Ų30.215%0.15115%0.154CC..G310 helixtrans-64.4-28-178.6-67.7179.4-172.9163.2-8.2115.5M125 H127 F279 P282 L287 L288M125-R285 PolarHBondContact O-NH2 3.15Å; H127-R285 PolarHBondContact CD2-NH1 2.9Å; H127-R285 PolarHBondContact CD2-NH2 2.9Å; H127-R285 PolarHBondContact CE1-NH1 2.96Å; H127-R285 PolarHBondContact ND1-NH1 3.1Å; H127-R285 PolarHBondContact NE2-NH1 3.29Å; H127-R285 PolarHBondContact NE2-NH2 3.4Å; F279-R285 HydrophobicContact CB-CG 4.43Å; F279-R285 VanDerWaalsContact O-CG 3.26Å; F279-R285 WeakPolarHBondContact O-CG 3.5Å; F279-R285 PolarHBondContact O-NE 3.49Å; P282-R285 WeakPolarHBondContact O-CB 3.33Å; P282-R285 PolarHBondContact O-N 3.38Å; R285-L287 PolarHBondContact O-N 3.34Å; R285-L288 WeakPolarHBondContact O-CA 3.35Å; R285-L288 WeakPolarHBondContact O-CB 3.44Å; R285-L288 PolarHBondContact O-N 2.96Å
286P98.3Very high98.6Very high82 Ų8230.2 Ų30.253%0.53215%0.154SC..G310 helixtrans-56.1-24.8174.1-29.237.3000113.9L288 D289P286-L288 PolarHBondContact O-N 3.46Å; P286-D289 WeakPolarHBondContact CA-OD2 3.21Å; P286-D289 PolarHBondContact O-N 2.97Å
287L98.3Very high98.6Very high50 Ų5030.2 Ų30.226%0.26215%0.154SC..G310 helixtrans-70.2-11174.2-59.8166.8000113.4F251 F279 F284 R285 V406F251-L287 HydrophobicContact CD1-CB 4.06Å; F251-L287 HydrophobicContact CD1-CD1 4.44Å; F251-L287 HydrophobicContact CD1-CD2 4.27Å; F251-L287 HydrophobicContact CD1-CG 4.49Å; F251-L287 HydrophobicContact CD2-CD2 4.21Å; F251-L287 HydrophobicContact CE1-CB 4.12Å; F251-L287 HydrophobicContact CE1-CD1 3.89Å; F251-L287 HydrophobicContact CE1-CG 4.4Å; F251-L287 HydrophobicContact CE2-CD1 4.26Å; F251-L287 HydrophobicContact CE2-CD2 4.45Å; F251-L287 HydrophobicContact CG-CD2 4.14Å; F251-L287 HydrophobicContact CZ-CD1 3.8Å; F279-L287 HydrophobicContact CE1-CB 3.78Å; F279-L287 HydrophobicContact CE1-CD1 4.34Å; F279-L287 HydrophobicContact CZ-CB 4.28Å; F284-L287 HydrophobicContact CB-CD1 4.48Å; F284-L287 WeakPolarHBondContact O-CB 3.19Å; F284-L287 PolarHBondContact O-N 3.49Å; R285-L287 PolarHBondContact O-N 3.34Å; L287-V406 HydrophobicContact CD1-CG1 3.68Å; L287-V406 HydrophobicContact CD2-CG1 4.45Å
288L98.4Very high98.6Very high7 Ų730.2 Ų30.24%0.03715%0.154CC..G310 helixtrans-106.2-2.2178.1-170.561.7000111.9L128 L243 F279 R285 P286 G290 I291 F297L128-L288 HydrophobicContact CD2-CD2 4.18Å; L243-L288 HydrophobicContact CD1-CD1 3.62Å; F279-L288 HydrophobicContact CB-CD2 4.16Å; F279-L288 HydrophobicContact CD1-CB 4.46Å; F279-L288 HydrophobicContact CD2-CB 4.07Å; F279-L288 HydrophobicContact CD2-CD1 3.99Å; F279-L288 HydrophobicContact CD2-CD2 3.72Å; F279-L288 HydrophobicContact CD2-CG 4.13Å; F279-L288 HydrophobicContact CE2-CB 4.15Å; F279-L288 HydrophobicContact CE2-CD1 3.84Å; F279-L288 HydrophobicContact CE2-CD2 4.4Å; F279-L288 HydrophobicContact CE2-CG 4.34Å; F279-L288 HydrophobicContact CG-CB 4.23Å; F279-L288 HydrophobicContact CG-CD2 4.1Å; F279-L288 HydrophobicContact CZ-CB 4.4Å; R285-L288 WeakPolarHBondContact O-CA 3.35Å; R285-L288 WeakPolarHBondContact O-CB 3.44Å; R285-L288 PolarHBondContact O-N 2.96Å; P286-L288 PolarHBondContact O-N 3.46Å; L288-G290 PolarHBondContact O-N 2.84Å; L288-I291 HydrophobicContact CD1-CB 3.93Å; L288-I291 HydrophobicContact CD1-CD1 4.03Å; L288-I291 HydrophobicContact CD1-CG1 4.06Å; L288-I291 HydrophobicContact CG-CB 3.87Å; L288-I291 HydrophobicContact CG-CG1 4.24Å; L288-I291 HydrophobicContact CG-CG2 4.05Å; L288-I291 VanDerWaalsContact O-CB 3.29Å; L288-I291 WeakPolarHBondContact O-CB 3.5Å; L288-I291 WeakPolarHBondContact O-CG2 3.17Å; L288-I291 PolarHBondContact O-N 3.22Å; L288-F297 HydrophobicContact CD1-CD2 4.35Å; L288-F297 HydrophobicContact CD1-CE2 3.89Å
289D98.3Very high98.6Very high81 Ų8130.2 Ų30.243%0.43315%0.154SC..THydrogen-bonded Turntrans-61.7127.7-179.8-65.7-16.5000110.4I254 M255 P286I254-D289 VanDerWaalsContact CG1-O 3.28Å; I254-D289 WeakPolarHBondContact CG1-O 3.38Å; M255-D289 HydrophobicContact CE-CB 3.23Å; P286-D289 WeakPolarHBondContact CA-OD2 3.21Å; P286-D289 PolarHBondContact O-N 2.97Å
290G98.3Very high98.6Very high1 Ų130.4 Ų30.41%0.0116%0.156CC..THydrogen-bonded Turntrans105.2-4.9-16900000114.1L288 E292 Y293L288-G290 PolarHBondContact O-N 2.84Å; G290-E292 WeakPolarHBondContact CA-OE2 3.29Å; G290-E292 PolarHBondContact N-OE2 2.9Å; G290-E292 PolarHBondContact O-N 3.28Å; G290-E292 VanDerWaalsContact O-N 3.13Å; G290-Y293 WeakPolarHBondContact O-CB 3.22Å; G290-Y293 VanDerWaalsContact O-CD2 3.29Å; G290-Y293 WeakPolarHBondContact O-CD2 3.34Å; G290-Y293 PolarHBondContact O-N 3.22Å
291I98.6Very high98.6Very high12 Ų1230.4 Ų30.46%0.06216%0.156CC..G310 helixtrans-54.4-27.3174.4-177.558.5000113.7L128 P129 F132 I270 L288 Y293 A294 F297L128-I291 HydrophobicContact CD2-CD1 4.42Å; L128-I291 HydrophobicContact CD2-CG1 3.97Å; P129-I291 HydrophobicContact CG-CG2 4.08Å; F132-I291 HydrophobicContact CE2-CD1 4.34Å; F132-I291 HydrophobicContact CE2-CG1 4.26Å; I270-I291 HydrophobicContact CD1-CD1 3.66Å; L288-I291 HydrophobicContact CD1-CB 3.93Å; L288-I291 HydrophobicContact CD1-CD1 4.03Å; L288-I291 HydrophobicContact CD1-CG1 4.06Å; L288-I291 HydrophobicContact CG-CB 3.87Å; L288-I291 HydrophobicContact CG-CG1 4.24Å; L288-I291 HydrophobicContact CG-CG2 4.05Å; L288-I291 VanDerWaalsContact O-CB 3.29Å; L288-I291 WeakPolarHBondContact O-CB 3.5Å; L288-I291 WeakPolarHBondContact O-CG2 3.17Å; L288-I291 PolarHBondContact O-N 3.22Å; I291-Y293 PolarHBondContact O-N 2.78Å; I291-Y293 VanDerWaalsContact O-N 3.17Å; I291-A294 HydrophobicContact CD1-CB 4.04Å; I291-A294 WeakPolarHBondContact O-CB 3.38Å; I291-A294 PolarHBondContact O-N 3.09Å; I291-F297 HydrophobicContact CD1-CB 3.86Å; I291-F297 HydrophobicContact CD1-CD2 3.86Å; I291-F297 HydrophobicContact CD1-CG 3.99Å
292E98.3Very high98.6Very high86 Ų8631 Ų3140%0.40216%0.159SC..G310 helixtrans-61-22.2176.566.9-86.4-156.800113.4P129 G290 K317P129-E292 HydrophobicContact CG-CB 4.16Å; G290-E292 WeakPolarHBondContact CA-OE2 3.29Å; G290-E292 PolarHBondContact N-OE2 2.9Å; G290-E292 PolarHBondContact O-N 3.28Å; G290-E292 VanDerWaalsContact O-N 3.13Å; E292-K317 PolarHBondContact O-NZ 3.43Å
293Y98.6Very high98.6Very high71 Ų7129.9 Ų29.928%0.27815%0.147SC..G310 helixtrans-82.1-18175.4-59.2-62.1000113.1G258 P259 N262 G290 I291G258-Y293 VanDerWaalsContact CA-CB 3.46Å; P259-Y293 HydrophobicContact CG-CD2 4.34Å; P259-Y293 HydrophobicContact CG-CE1 4.11Å; P259-Y293 HydrophobicContact CG-CE2 3.84Å; N262-Y293 WeakPolarHBondContact ND2-CD1 3.27Å; G290-Y293 WeakPolarHBondContact O-CB 3.22Å; G290-Y293 VanDerWaalsContact O-CD2 3.29Å; G290-Y293 WeakPolarHBondContact O-CD2 3.34Å; G290-Y293 PolarHBondContact O-N 3.22Å; I291-Y293 PolarHBondContact O-N 2.78Å; I291-Y293 VanDerWaalsContact O-N 3.17Å
294A98.7Very high98.5Very high0 Ų025.7 Ų25.70%013%0.127CC..  trans-71143.8-176.400000112.3F132 M268 I270 I291 K317F132-A294 HydrophobicContact CZ-CB 4.23Å; F132-A294 WeakPolarHBondContact CZ-O 3.37Å; M268-A294 HydrophobicContact CE-CB 3.95Å; I270-A294 HydrophobicContact CD1-CB 3.71Å; I270-A294 HydrophobicContact CG1-CB 4Å; I291-A294 HydrophobicContact CD1-CB 4.04Å; I291-A294 WeakPolarHBondContact O-CB 3.38Å; I291-A294 PolarHBondContact O-N 3.09Å; A294-K317 WeakPolarHBondContact O-CD 3.34Å
295D98.9Very high98.5Very high20 Ų2024.3 Ų24.311%0.10712%0.121CC..SBendtrans-83.8-30.7167.3-67.6-92000111K162 W267 M268 V316 K317K162-D295 IonicContact NZ-OD1 3.19Å; K162-D295 PolarHBondContact NZ-OD1 2.86Å; W267-D295 VanDerWaalsContact CA-OD2 3.28Å; W267-D295 WeakPolarHBondContact CA-OD2 3.31Å; W267-D295 HydrophobicContact CD2-CB 3.47Å; W267-D295 VanDerWaalsContact CD2-CB 3.47Å; W267-D295 HydrophobicContact CE3-CB 3.96Å; W267-D295 HydrophobicContact CG-CB 3.85Å; W267-D295 HydrophobicContact CH2-CB 4.18Å; W267-D295 HydrophobicContact CZ2-CB 3.72Å; W267-D295 HydrophobicContact CZ3-CB 4.28Å; M268-D295 PolarHBondContact N-OD2 2.94Å; M268-D295 PolarHBondContact O-N 3.45Å; D295-V316 WeakPolarHBondContact O-CA 3.5Å; D295-K317 PolarHBondContact O-N 3.14Å
296S98.9Very high98.5Very high0 Ų022.6 Ų22.60%012%0.115CC..EExtended strand (participates in β ladder)trans-149.4154.1176.562.50000113.8A155 W267 M268 H269 I270 W315A155-S296 WeakPolarHBondContact CB-OG 3.29Å; W267-S296 PolarHBondContact NE1-OG 2.94Å; M268-S296 PolarHBondContact O-N 3Å; H269-S296 CarbonylContact C-O 3.53Å; H269-S296 WeakPolarHBondContact CA-O 3.45Å; H269-S296 PolarHBondContact ND1-OG 2.7Å; I270-S296 PolarHBondContact N-O 3.28Å; S296-W315 WeakPolarHBondContact CA-O 3.13Å; S296-W315 VanDerWaalsContact CB-O 3.3Å; S296-W315 WeakPolarHBondContact CB-O 3.47Å
297F98.9Very high98.5Very high0 Ų018.7 Ų18.70%09%0.09CC..EExtended strand (participates in β ladder)trans-141.6138-178.6166.7-100.2000109.5L126 L128 I270 A272 F279 L288 I291 F299 M314 W315L126-F297 HydrophobicContact CD1-CE1 3.85Å; L126-F297 HydrophobicContact CD1-CZ 4.43Å; L128-F297 HydrophobicContact CD1-CD1 4.05Å; L128-F297 HydrophobicContact CD1-CE1 4.33Å; L128-F297 HydrophobicContact CD2-CD1 4.06Å; L128-F297 HydrophobicContact CD2-CE1 4.13Å; I270-F297 HydrophobicContact CB-CD2 3.94Å; I270-F297 HydrophobicContact CG2-CD2 3.7Å; I270-F297 HydrophobicContact CG2-CE2 4.15Å; I270-F297 WeakPolarHBondContact O-CA 3.34Å; A272-F297 HydrophobicContact CB-CD2 4.39Å; A272-F297 HydrophobicContact CB-CE2 3.52Å; A272-F297 HydrophobicContact CB-CZ 4.04Å; F279-F297 HydrophobicContact CD2-CZ 4.48Å; L288-F297 HydrophobicContact CD1-CD2 4.35Å; L288-F297 HydrophobicContact CD1-CE2 3.89Å; I291-F297 HydrophobicContact CD1-CB 3.86Å; I291-F297 HydrophobicContact CD1-CD2 3.86Å; I291-F297 HydrophobicContact CD1-CG 3.99Å; F297-F299 AromaticContact CE1-CD1 3.83Å; F297-F299 HydrophobicContact CE1-CD1 3.83Å; F297-F299 HydrophobicContact CZ-CB 4.37Å; F297-F299 HydrophobicContact CZ-CD1 4.12Å; F297-M314 CarbonylContact O-C 3.55Å; F297-M314 WeakPolarHBondContact O-CA 3.49Å; F297-W315 AromaticContact CD1-CE3 3.63Å; F297-W315 HydrophobicContact CD1-CE3 3.63Å; F297-W315 HydrophobicContact CD1-CZ3 4.03Å; F297-W315 HydrophobicContact CE1-CE3 4.03Å; F297-W315 AromaticContact CE1-CZ3 3.95Å; F297-W315 HydrophobicContact CE1-CZ3 3.95Å; F297-W315 PolarHBondContact N-O 3.45Å; F297-W315 PolarHBondContact O-N 2.9Å
298N98.9Very high98.5Very high0 Ų017.5 Ų17.50%08%0.084CC..EExtended strand (participates in β ladder)trans-132153.6169.676.3-88.5000112.5A148 A151 H269 I270 D271 A272 A313 M314A148-N298 WeakPolarHBondContact CB-ND2 3.46Å; A151-N298 HydrophobicContact CB-CB 3.82Å; H269-N298 PolarHBondContact CE1-OD1 3.48Å; H269-N298 PolarHBondContact NE2-OD1 2.69Å; I270-N298 PolarHBondContact O-N 3.38Å; I270-N298 PolarHBondContact O-OD1 2.98Å; D271-N298 WeakPolarHBondContact CA-OD1 3.36Å; D271-N298 PolarHBondContact OD1-ND2 3.4Å; D271-N298 VanDerWaalsContact OD1-ND2 3.08Å; A272-N298 CarbonylContact C-O 3.53Å; A272-N298 WeakPolarHBondContact CA-O 3.46Å; A272-N298 WeakPolarHBondContact CB-O 3.43Å; A272-N298 PolarHBondContact N-O 3.22Å; N298-A313 CarbonylContact C-O 3.46Å; N298-A313 WeakPolarHBondContact CA-O 3.46Å; N298-A313 WeakPolarHBondContact CB-O 3.21Å; N298-M314 HydrophobicContact CB-CB 4.29Å; N298-M314 HydrophobicContact CB-CG 4.49Å
299F98.8Very high98.5Very high0 Ų023.1 Ų23.10%011%0.108CC..EExtended strand (participates in β ladder)trans-151169.3157.783.5-77.4000111.4L122 L126 A272 S277 F297 P301 L305 A313 W315L122-F299 HydrophobicContact CD1-CE1 4.4Å; L122-F299 HydrophobicContact CD1-CZ 3.91Å; L122-F299 HydrophobicContact CD2-CE1 3.85Å; L122-F299 HydrophobicContact CD2-CZ 3.73Å; L122-F299 HydrophobicContact CG-CE1 4.07Å; L122-F299 HydrophobicContact CG-CZ 4.01Å; L126-F299 HydrophobicContact CD1-CD1 4.16Å; L126-F299 HydrophobicContact CD1-CE1 3.61Å; L126-F299 HydrophobicContact CD1-CZ 4.4Å; L126-F299 HydrophobicContact CD2-CE1 4.44Å; A272-F299 HydrophobicContact CB-CB 4.26Å; A272-F299 WeakPolarHBondContact O-CB 3.45Å; S277-F299 VanDerWaalsContact N-CD2 3.31Å; S277-F299 WeakPolarHBondContact OG-CD2 3.47Å; S277-F299 WeakPolarHBondContact OG-CE2 3.42Å; F297-F299 AromaticContact CE1-CD1 3.83Å; F297-F299 HydrophobicContact CE1-CD1 3.83Å; F297-F299 HydrophobicContact CZ-CB 4.37Å; F297-F299 HydrophobicContact CZ-CD1 4.12Å; F299-P301 HydrophobicContact CE2-CG 3.96Å; F299-P301 HydrophobicContact CZ-CG 3.99Å; F299-P301 WeakPolarHBondContact O-CD 3.48Å; F299-L305 HydrophobicContact CE2-CD2 4.12Å; F299-L305 HydrophobicContact CZ-CD2 4.11Å; F299-A313 HydrophobicContact CE1-CB 4.33Å; F299-A313 PolarHBondContact N-O 3.12Å; F299-A313 PolarHBondContact O-N 3.22Å; F299-W315 HydrophobicContact CD1-CH2 4.18Å; F299-W315 AromaticContact CD1-CZ3 3.77Å; F299-W315 HydrophobicContact CD1-CZ3 3.77Å; F299-W315 AromaticContact CE1-CH2 3.63Å; F299-W315 HydrophobicContact CE1-CH2 3.63Å; F299-W315 AromaticContact CE1-CZ3 3.72Å; F299-W315 HydrophobicContact CE1-CZ3 3.72Å
300N98.9Very high98.5Very high5 Ų520.4 Ų20.43%0.0279%0.094CC..  trans-106.4104.5-177.9-61.9-10.4000111.1A148 A273 H302 K303 S312A148-N300 WeakPolarHBondContact CB-OD1 3.37Å; A273-N300 WeakPolarHBondContact O-CB 3.43Å; A273-N300 PolarHBondContact O-N 3Å; N300-H302 WeakPolarHBondContact CB-NE2 3.31Å; N300-H302 VanDerWaalsContact CG-CE1 3.43Å; N300-H302 VanDerWaalsContact CG-NE2 3.33Å; N300-H302 PolarHBondContact ND2-CE1 2.86Å; N300-H302 PolarHBondContact ND2-NE2 2.63Å; N300-H302 PolarHBondContact O-N 3.35Å; N300-H302 VanDerWaalsContact O-N 3.12Å; N300-K303 HydrophobicContact CB-CB 4.02Å; N300-K303 HydrophobicContact CB-CD 4.08Å; N300-K303 HydrophobicContact CB-CG 3.77Å; N300-K303 WeakPolarHBondContact ND2-CE 3.43Å; N300-K303 PolarHBondContact O-N 3.44Å; N300-S312 WeakPolarHBondContact OD1-CB 3.48Å; N300-S312 PolarHBondContact OD1-OG 3.44Å
301P98.8Very high98.5Very high0 Ų020.4 Ų20.40%09%0.093CC..Hα-helixtrans-51.4-31.1162.2-29.834.4000112.8L122 F299 K303 L305 V307 C311 A313 L363L122-P301 HydrophobicContact CD2-CG 4.1Å; F299-P301 HydrophobicContact CE2-CG 3.96Å; F299-P301 HydrophobicContact CZ-CG 3.99Å; F299-P301 WeakPolarHBondContact O-CD 3.48Å; P301-K303 PolarHBondContact O-N 2.92Å; P301-L305 HydrophobicContact CB-CB 4.16Å; P301-L305 HydrophobicContact CB-CD2 4.28Å; P301-L305 CarbonylContact O-C 3.51Å; P301-L305 WeakPolarHBondContact O-CA 3.37Å; P301-L305 WeakPolarHBondContact O-CB 3.37Å; P301-L305 PolarHBondContact O-N 3.37Å; P301-V307 HydrophobicContact CB-CB 4.08Å; P301-V307 HydrophobicContact CB-CG2 3.97Å; P301-C311 HydrophobicContact CB-CB 4.5Å; P301-C311 VanDerWaalsContact CD-O 3.3Å; P301-C311 WeakPolarHBondContact CD-O 3.24Å; P301-A313 HydrophobicContact CG-CB 4.22Å; P301-L363 HydrophobicContact CB-CD2 4Å; P301-L363 HydrophobicContact CG-CD2 4.13Å
302H98.6Very high98.5Very high13 Ų1319.8 Ų19.86%0.069%0.09CC..Hα-helixtrans-73.3-2.717572.7-115.6000116.4A82 A83 N300 V307 F309 C311A82-H302 CarbonylContact C-O 3.59Å; A82-H302 WeakPolarHBondContact CA-O 3.25Å; A83-H302 PolarHBondContact N-O 3.39Å; N300-H302 WeakPolarHBondContact CB-NE2 3.31Å; N300-H302 VanDerWaalsContact CG-CE1 3.43Å; N300-H302 VanDerWaalsContact CG-NE2 3.33Å; N300-H302 PolarHBondContact ND2-CE1 2.86Å; N300-H302 PolarHBondContact ND2-NE2 2.63Å; N300-H302 PolarHBondContact O-N 3.35Å; N300-H302 VanDerWaalsContact O-N 3.12Å; H302-V307 WeakPolarHBondContact CA-O 3.37Å; H302-F309 HydrophobicContact CB-CB 4.31Å; H302-F309 AromaticContact CD2-CD2 3.78Å; H302-F309 AromaticContact CE1-CD2 3.86Å; H302-F309 AromaticContact CG-CD2 3.86Å; H302-F309 AromaticContact ND1-CD2 3.91Å; H302-F309 AromaticContact NE2-CD2 3.81Å; H302-C311 HydrophobicContact CB-CB 4.29Å; H302-C311 PolarHBondContact N-O 2.83Å; H302-C311 PolarHBondContact ND1-N 3.49Å; H302-C311 PolarHBondContact ND1-O 3.29Å
303K98.5Very high98.5Very high41 Ų4115.7 Ų15.718%0.1787%0.071CC..Hα-helixtrans-91.6-59.7169.4-77.1-175.9174.5179.20110.9F80 P81 A83 A273 N300 P301F80-K303 HydrophobicContact CB-CD 4.38Å; P81-K303 CarbonylContact C-O 3.57Å; P81-K303 WeakPolarHBondContact CB-O 3.26Å; P81-K303 WeakPolarHBondContact O-CA 3.49Å; A83-K303 VanDerWaalsContact CB-O 3.23Å; A83-K303 WeakPolarHBondContact CB-O 3.28Å; A83-K303 PolarHBondContact N-O 2.86Å; A273-K303 HydrophobicContact CB-CD 4.25Å; A273-K303 WeakPolarHBondContact O-CD 3.24Å; N300-K303 HydrophobicContact CB-CB 4.02Å; N300-K303 HydrophobicContact CB-CD 4.08Å; N300-K303 HydrophobicContact CB-CG 3.77Å; N300-K303 WeakPolarHBondContact ND2-CE 3.43Å; N300-K303 PolarHBondContact O-N 3.44Å; P301-K303 PolarHBondContact O-N 2.92Å
304F97.8Very high98.5Very high2 Ų212.4 Ų12.41%0.0096%0.058CC..Hα-helixtrans-133.515.5-163.6-158.9-152.1000114.2P81 Y274 I379 Q382P81-F304 HydrophobicContact CG-CD2 4.41Å; Y274-F304 HydrophobicContact CD2-CB 4.19Å; Y274-F304 HydrophobicContact CD2-CD1 4.34Å; Y274-F304 HydrophobicContact CD2-CG 4.36Å; Y274-F304 HydrophobicContact CE2-CB 4.06Å; Y274-F304 AromaticContact CE2-CD1 3.67Å; Y274-F304 HydrophobicContact CE2-CD1 3.67Å; Y274-F304 HydrophobicContact CE2-CD2 4.18Å; Y274-F304 HydrophobicContact CE2-CE1 4.04Å; Y274-F304 AromaticContact CE2-CG 3.76Å; Y274-F304 HydrophobicContact CE2-CG 3.76Å; Y274-F304 HydrophobicContact CE2-CZ 4.45Å; Y274-F304 AromaticContact CZ-CD1 3.95Å; Y274-F304 AromaticContact CZ-CE1 3.9Å; F304-I379 HydrophobicContact CE1-CG2 4.15Å; F304-Q382 HydrophobicContact CE2-CB 3.52Å; F304-Q382 HydrophobicContact CE2-CG 3.74Å; F304-Q382 HydrophobicContact CZ-CB 3.58Å; F304-Q382 HydrophobicContact CZ-CG 4.29Å
305L98.3Very high98.5Very high0 Ų012.4 Ų12.40%06%0.058CC..SBendtrans-12528.3-177-156.864.6000114.1L122 I280 F299 P301 V307 F367 L375 I379L122-L305 HydrophobicContact CD1-CD2 3.92Å; I280-L305 HydrophobicContact CD1-CD1 3.66Å; F299-L305 HydrophobicContact CE2-CD2 4.12Å; F299-L305 HydrophobicContact CZ-CD2 4.11Å; P301-L305 HydrophobicContact CB-CB 4.16Å; P301-L305 HydrophobicContact CB-CD2 4.28Å; P301-L305 CarbonylContact O-C 3.51Å; P301-L305 WeakPolarHBondContact O-CA 3.37Å; P301-L305 WeakPolarHBondContact O-CB 3.37Å; P301-L305 PolarHBondContact O-N 3.37Å; L305-V307 PolarHBondContact O-N 3.01Å; L305-F367 HydrophobicContact CD2-CE1 4Å; L305-F367 HydrophobicContact CD2-CZ 4.4Å; L305-L375 HydrophobicContact CD1-CB 4.25Å; L305-L375 HydrophobicContact CD1-CD1 4.35Å; L305-L375 HydrophobicContact CD1-CD2 4.35Å; L305-I379 HydrophobicContact CD1-CD1 4.32Å
306L98.4Very high98.5Very high4 Ų411.5 Ų11.52%0.0215%0.053CC..SBendtrans60.315.2172.3-58.1-177.8000116.8A83 S85 V366 Y370 L375 H378 R454A83-L306 VanDerWaalsContact CB-N 3.31Å; S85-L306 VanDerWaalsContact CB-O 3.31Å; S85-L306 WeakPolarHBondContact CB-O 3.43Å; S85-L306 PolarHBondContact N-O 3.13Å; S85-L306 PolarHBondContact OG-O 3.18Å; L306-V366 HydrophobicContact CB-CG1 4.46Å; L306-Y370 HydrophobicContact CB-CE2 4.4Å; L306-Y370 HydrophobicContact CD1-CD1 4.29Å; L306-Y370 HydrophobicContact CD1-CD2 4.39Å; L306-Y370 HydrophobicContact CD1-CE1 3.95Å; L306-Y370 HydrophobicContact CD1-CE2 4.03Å; L306-L375 HydrophobicContact CD1-CD2 4.22Å; L306-H378 HydrophobicContact CD1-CB 4.22Å; L306-H378 WeakPolarHBondContact CD2-NE2 3.45Å; L306-R454 HydrophobicContact CD2-CB 4.15Å; L306-R454 HydrophobicContact CD2-CG 3.92Å
307V98.6Very high98.5Very high0 Ų014.2 Ų14.20%07%0.065CC..PPolyproline II helixtrans-97.7130.3174.3-1780000108.5A83 P301 H302 L305 C311 K362 L363 V366A83-V307 CarbonylContact C-O 3.53Å; A83-V307 CarbonylContact O-C 3.56Å; P301-V307 HydrophobicContact CB-CB 4.08Å; P301-V307 HydrophobicContact CB-CG2 3.97Å; H302-V307 WeakPolarHBondContact CA-O 3.37Å; L305-V307 PolarHBondContact O-N 3.01Å; V307-C311 HydrophobicContact CG1-CB 3.72Å; V307-K362 HydrophobicContact CG1-CB 4.48Å; V307-K362 HydrophobicContact CG1-CD 3.6Å; V307-K362 HydrophobicContact CG1-CG 3.84Å; V307-L363 HydrophobicContact CG2-CD2 3.69Å; V307-V366 HydrophobicContact CG2-CB 4.21Å; V307-V366 HydrophobicContact CG2-CG1 4.11Å; V307-V366 HydrophobicContact CG2-CG2 4.07Å
308N97.5Very high98.3Very high25 Ų2519.6 Ų19.613%0.1349%0.088CC..PPolyproline II helixtrans-70153.617965.2-72.3000112.5A83 A88 D92 K362A83-N308 VanDerWaalsContact O-CA 3.3Å; A83-N308 WeakPolarHBondContact O-CA 3.16Å; A88-N308 WeakPolarHBondContact CB-OD1 3.33Å; A88-N308 PolarHBondContact O-OD1 3.15Å; D92-N308 PolarHBondContact OD2-ND2 2.84Å; N308-K362 PolarHBondContact O-NZ 2.91Å
309F97.9Very high98.1Very high125 Ų12521.8 Ų21.855%0.54810%0.097SC..SBendtrans-60.9142.5175.3-176.7-88.2000111.5T147 H302T147-F309 HydrophobicContact CG2-CE2 4.18Å; T147-F309 HydrophobicContact CG2-CZ 4.15Å; H302-F309 HydrophobicContact CB-CB 4.31Å; H302-F309 AromaticContact CD2-CD2 3.78Å; H302-F309 AromaticContact CE1-CD2 3.86Å; H302-F309 AromaticContact CG-CD2 3.86Å; H302-F309 AromaticContact ND1-CD2 3.91Å; H302-F309 AromaticContact NE2-CD2 3.81Å
310D97.9Very high97.9Very high24 Ų2425.1 Ų25.113%0.12812%0.124CC..SBendcis-88.5144.1-4.864.1-46.4000113R357 R359 K362D310-R357 IonicContact OD1-CZ 2.96Å; D310-R357 IonicContact OD1-NE 2.69Å; D310-R357 PolarHBondContact OD1-NE 3.24Å; D310-R357 IonicContact OD1-NH2 2.74Å; D310-R357 PolarHBondContact OD1-NH2 3.29Å; D310-R357 IonicContact OD2-NE 3.52Å; D310-R359 IonicContact OD2-CZ 2.89Å; D310-R359 VanDerWaalsContact OD2-CZ 3.32Å; D310-R359 IonicContact OD2-NE 2.71Å; D310-R359 PolarHBondContact OD2-NE 3.43Å; D310-R359 IonicContact OD2-NH2 3.71Å; D310-R359 PolarHBondContact OD2-NH2 3.05Å; D310-K362 WeakPolarHBondContact O-CE 3.48Å; D310-K362 PolarHBondContact O-NZ 3.37Å
311C98.6Very high97.8Very high0 Ų026.2 Ų26.20%013%0.13CC..  trans-172.392.8172.8-170.70000110.4P301 H302 V307P301-C311 HydrophobicContact CB-CB 4.5Å; P301-C311 VanDerWaalsContact CD-O 3.3Å; P301-C311 WeakPolarHBondContact CD-O 3.24Å; H302-C311 HydrophobicContact CB-CB 4.29Å; H302-C311 PolarHBondContact N-O 2.83Å; H302-C311 PolarHBondContact ND1-N 3.49Å; H302-C311 PolarHBondContact ND1-O 3.29Å; V307-C311 HydrophobicContact CG1-CB 3.72Å
312S98.7Very high97.6Very high0 Ų026.2 Ų26.20%013%0.13CC..EExtended strand (participates in β ladder)trans-114.1115.8176.4176.10000109I144 Q145 T147 A148 N300I144-S312 CarbonylContact C-O 3.57Å; I144-S312 WeakPolarHBondContact CA-O 3.23Å; Q145-S312 PolarHBondContact N-O 3.02Å; Q145-S312 PolarHBondContact O-N 3.49Å; T147-S312 VanDerWaalsContact C-CB 3.41Å; T147-S312 VanDerWaalsContact C-OG 3.23Å; T147-S312 PolarHBondContact O-OG 3.06Å; A148-S312 PolarHBondContact N-OG 3.19Å; N300-S312 WeakPolarHBondContact OD1-CB 3.48Å; N300-S312 PolarHBondContact OD1-OG 3.44Å
313A98.8Very high97.5Very high0 Ų027.9 Ų27.90%014%0.139CC..EExtended strand (participates in β ladder)trans-89129.6-179.500000109.7L119 L122 N298 F299 P301 W315L119-A313 HydrophobicContact CD2-CB 3.93Å; L122-A313 HydrophobicContact CD2-CB 4.03Å; N298-A313 CarbonylContact C-O 3.46Å; N298-A313 WeakPolarHBondContact CA-O 3.46Å; N298-A313 WeakPolarHBondContact CB-O 3.21Å; F299-A313 HydrophobicContact CE1-CB 4.33Å; F299-A313 PolarHBondContact N-O 3.12Å; F299-A313 PolarHBondContact O-N 3.22Å; P301-A313 HydrophobicContact CG-CB 4.22Å; A313-W315 HydrophobicContact CB-CE3 4.37Å; A313-W315 HydrophobicContact CB-CH2 3.36Å; A313-W315 HydrophobicContact CB-CZ2 4.28Å; A313-W315 HydrophobicContact CB-CZ3 3.41Å; A313-W315 VanDerWaalsContact CB-CZ3 3.41Å
314M98.8Very high97.1Very high1 Ų127.1 Ų27.11%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-127.2134.7177.5179.5-172.6-177.200109.2G142 V143 Q145 A151 M154 A155 F297 N298 V316 I322G142-M314 CarbonylContact C-O 3.53Å; G142-M314 VanDerWaalsContact CA-O 3.22Å; G142-M314 WeakPolarHBondContact CA-O 3.42Å; V143-M314 HydrophobicContact CG1-CB 4.23Å; V143-M314 PolarHBondContact N-O 3.05Å; V143-M314 PolarHBondContact O-N 3.36Å; Q145-M314 HydrophobicContact CG-CB 4.19Å; Q145-M314 HydrophobicContact CG-SD 4.4Å; A151-M314 HydrophobicContact CB-CB 3.99Å; A151-M314 HydrophobicContact CB-CG 4.04Å; A151-M314 HydrophobicContact CB-SD 3.77Å; A151-M314 WeakPolarHBondContact O-CE 3.2Å; M154-M314 HydrophobicContact CB-CE 4.23Å; M154-M314 HydrophobicContact CB-SD 4.21Å; A155-M314 HydrophobicContact CB-CE 3.89Å; F297-M314 CarbonylContact O-C 3.55Å; F297-M314 WeakPolarHBondContact O-CA 3.49Å; N298-M314 HydrophobicContact CB-CB 4.29Å; N298-M314 HydrophobicContact CB-CG 4.49Å; M314-V316 HydrophobicContact CE-CG1 3.98Å; M314-I322 HydrophobicContact CE-CD1 3.8Å; M314-I322 HydrophobicContact SD-CD1 4.44Å
315W98.9Very high97Very high1 Ų128.2 Ų28.20%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-116.7149.4171.6-67.4-98.9000110.9L119 L122 L126 L128 F132 G141 S296 F297 F299 A313L119-W315 HydrophobicContact CB-CZ2 4.29Å; L119-W315 HydrophobicContact CD2-CH2 4.41Å; L119-W315 HydrophobicContact CD2-CZ2 4.06Å; L119-W315 PolarHBondContact O-NE1 3.46Å; L119-W315 VanDerWaalsContact O-NE1 3.15Å; L122-W315 HydrophobicContact CB-CH2 4.31Å; L122-W315 HydrophobicContact CB-CZ2 3.99Å; L122-W315 HydrophobicContact CD2-CH2 3.63Å; L122-W315 HydrophobicContact CD2-CZ2 4.09Å; L122-W315 HydrophobicContact CG-CH2 3.76Å; L122-W315 HydrophobicContact CG-CZ2 3.96Å; L126-W315 HydrophobicContact CD1-CH2 4.11Å; L126-W315 HydrophobicContact CD1-CZ3 4.37Å; L128-W315 HydrophobicContact CD1-CB 4.46Å; L128-W315 HydrophobicContact CD1-CD2 3.67Å; L128-W315 HydrophobicContact CD1-CE3 4.06Å; L128-W315 HydrophobicContact CD1-CG 3.87Å; L128-W315 HydrophobicContact CD1-CZ2 4.43Å; F132-W315 HydrophobicContact CB-CB 4.11Å; F132-W315 HydrophobicContact CB-CG 4.37Å; F132-W315 HydrophobicContact CD1-CB 3.6Å; F132-W315 HydrophobicContact CE1-CB 4.34Å; F132-W315 HydrophobicContact CG-CB 4.14Å; F132-W315 VanDerWaalsContact O-CD1 3.32Å; G141-W315 WeakPolarHBondContact O-CA 3.26Å; S296-W315 WeakPolarHBondContact CA-O 3.13Å; S296-W315 VanDerWaalsContact CB-O 3.3Å; S296-W315 WeakPolarHBondContact CB-O 3.47Å; F297-W315 AromaticContact CD1-CE3 3.63Å; F297-W315 HydrophobicContact CD1-CE3 3.63Å; F297-W315 HydrophobicContact CD1-CZ3 4.03Å; F297-W315 HydrophobicContact CE1-CE3 4.03Å; F297-W315 AromaticContact CE1-CZ3 3.95Å; F297-W315 HydrophobicContact CE1-CZ3 3.95Å; F297-W315 PolarHBondContact N-O 3.45Å; F297-W315 PolarHBondContact O-N 2.9Å; F299-W315 HydrophobicContact CD1-CH2 4.18Å; F299-W315 AromaticContact CD1-CZ3 3.77Å; F299-W315 HydrophobicContact CD1-CZ3 3.77Å; F299-W315 AromaticContact CE1-CH2 3.63Å; F299-W315 HydrophobicContact CE1-CH2 3.63Å; F299-W315 AromaticContact CE1-CZ3 3.72Å; F299-W315 HydrophobicContact CE1-CZ3 3.72Å; A313-W315 HydrophobicContact CB-CE3 4.37Å; A313-W315 HydrophobicContact CB-CH2 3.36Å; A313-W315 HydrophobicContact CB-CZ2 4.28Å; A313-W315 HydrophobicContact CB-CZ3 3.41Å; A313-W315 VanDerWaalsContact CB-CZ3 3.41Å
316V98.6Very high96.8Very high1 Ų129.9 Ų29.91%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-128143.9168.2-66.50000111.5G140 G141 W267 D295 M314 K318 I322 W350G140-V316 CarbonylContact C-O 3.58Å; G140-V316 WeakPolarHBondContact CA-O 3.32Å; G141-V316 PolarHBondContact N-O 2.8Å; G141-V316 VanDerWaalsContact N-O 3.12Å; G141-V316 PolarHBondContact O-N 3.17Å; W267-V316 HydrophobicContact CZ2-CG1 4.46Å; D295-V316 WeakPolarHBondContact O-CA 3.5Å; M314-V316 HydrophobicContact CE-CG1 3.98Å; V316-K318 VanDerWaalsContact C-N 3.3Å; V316-I322 HydrophobicContact CB-CD1 4.17Å; V316-I322 HydrophobicContact CG1-CD1 3.16Å; V316-I322 HydrophobicContact CG1-CG1 3.78Å; V316-I322 HydrophobicContact CG2-CD1 4.03Å; V316-I322 HydrophobicContact CG2-CG1 4.37Å; V316-W350 HydrophobicContact CG2-CE3 4.16Å; V316-W350 HydrophobicContact CG2-CH2 4.12Å; V316-W350 HydrophobicContact CG2-CZ3 3.48Å; V316-W350 VanDerWaalsContact CG2-CZ3 3.48Å
317K97.9Very high96.4Very high56 Ų5635.6 Ų35.624%0.24318%0.184CC..SBendtrans-70.6-30.2180-167.2172.8-170.6171.30112.2S131 F132 G140 E292 A294 D295S131-K317 VanDerWaalsContact O-O 3.14Å; F132-K317 HydrophobicContact CD1-CB 4.36Å; F132-K317 HydrophobicContact CE1-CB 3.88Å; F132-K317 VanDerWaalsContact CE1-N 3.32Å; F132-K317 HydrophobicContact CZ-CB 4.19Å; G140-K317 WeakPolarHBondContact CA-O 3.12Å; E292-K317 PolarHBondContact O-NZ 3.43Å; A294-K317 WeakPolarHBondContact O-CD 3.34Å; D295-K317 PolarHBondContact O-N 3.14Å
318K96.2Very high95.7Very high113 Ų11339.9 Ų39.949%0.49121%0.205SC..  trans-137.3102.9-177.9-66.5-178.7-178.4178.80110.4H139 V316 A320 D321H139-K318 CarbonylContact O-C 3.45Å; H139-K318 WeakPolarHBondContact O-CA 3.32Å; V316-K318 VanDerWaalsContact C-N 3.3Å; K318-A320 PolarHBondContact O-N 3.06Å; K318-D321 WeakPolarHBondContact O-CB 3.31Å; K318-D321 PolarHBondContact O-N 2.79Å; K318-D321 VanDerWaalsContact O-N 3.09Å
319R94.6Very high95.1Very high46 Ų4642.6 Ų42.617%0.17422%0.217CC..Hα-helixtrans-59.2-31.7-179.764.9-170.8153160.3-4.2114.1G138 H139 D321 I322 I323 G342 W350G138-R319 VanDerWaalsContact O-CZ 3.27Å; G138-R319 PolarHBondContact O-NE 3.23Å; G138-R319 PolarHBondContact O-NH2 3.45Å; H139-R319 VanDerWaalsContact O-CG 3.31Å; H139-R319 WeakPolarHBondContact O-CG 3.48Å; H139-R319 PolarHBondContact O-N 2.79Å; R319-D321 PolarHBondContact O-N 3.38Å; R319-I322 PolarHBondContact O-N 3.38Å; R319-I323 HydrophobicContact CB-CD1 4.23Å; R319-I323 HydrophobicContact CG-CD1 4.25Å; R319-I323 WeakPolarHBondContact O-CB 3.13Å; R319-I323 VanDerWaalsContact O-CG1 3.29Å; R319-I323 WeakPolarHBondContact O-CG1 3.3Å; R319-I323 PolarHBondContact O-N 2.94Å; R319-G342 PolarHBondContact NH1-O 3.24Å; R319-G342 PolarHBondContact NH2-O 2.99Å; R319-W350 HydrophobicContact CB-CH2 3.27Å; R319-W350 HydrophobicContact CB-CZ2 3.22Å; R319-W350 HydrophobicContact CB-CZ3 4.25Å; R319-W350 HydrophobicContact CG-CH2 4.41Å; R319-W350 HydrophobicContact CG-CZ2 4.13Å
320A94.4Very high94.8Very high70 Ų7038.5 Ų38.558%0.57920%0.203SC*.Hα-helixtrans-58.5-30.4177.100000112.9K318 G324K318-A320 PolarHBondContact O-N 3.06Å; A320-G324 WeakPolarHBondContact O-CA 3.43Å; A320-G324 PolarHBondContact O-N 3.4Å
321D95.6Very high94.4Very high28 Ų2844.2 Ų44.215%0.1523%0.233CC..Hα-helixtrans-70.8-44.3-179.8-68.4-26.3000111.5K162 W267 K318 R319 A325K162-D321 HydrophobicContact CD-CB 4.39Å; K162-D321 WeakPolarHBondContact CE-OD2 3.18Å; K162-D321 IonicContact NZ-OD2 2.83Å; K162-D321 PolarHBondContact NZ-OD2 2.84Å; W267-D321 HydrophobicContact CH2-CB 3.94Å; W267-D321 HydrophobicContact CZ3-CB 3.71Å; K318-D321 WeakPolarHBondContact O-CB 3.31Å; K318-D321 PolarHBondContact O-N 2.79Å; K318-D321 VanDerWaalsContact O-N 3.09Å; R319-D321 PolarHBondContact O-N 3.38Å; D321-A325 PolarHBondContact O-N 2.9Å
322I95.9Very high94Very high0 Ų052.8 Ų52.80%027%0.267CS..Hα-helixtrans-68.3-50.6174.2-80.7-165.7000110.7M154 A158 M314 V316 R319 G324 A325 F326 H349 W350M154-I322 HydrophobicContact CE-CG2 4.19Å; A158-I322 HydrophobicContact CB-CG1 4.02Å; M314-I322 HydrophobicContact CE-CD1 3.8Å; M314-I322 HydrophobicContact SD-CD1 4.44Å; V316-I322 HydrophobicContact CB-CD1 4.17Å; V316-I322 HydrophobicContact CG1-CD1 3.16Å; V316-I322 HydrophobicContact CG1-CG1 3.78Å; V316-I322 HydrophobicContact CG2-CD1 4.03Å; V316-I322 HydrophobicContact CG2-CG1 4.37Å; R319-I322 PolarHBondContact O-N 3.38Å; I322-G324 PolarHBondContact O-N 3.31Å; I322-A325 PolarHBondContact O-N 2.75Å; I322-F326 HydrophobicContact CG2-CD2 4.28Å; I322-F326 WeakPolarHBondContact O-CD2 3.44Å; I322-F326 PolarHBondContact O-N 2.67Å; I322-H349 WeakPolarHBondContact CG2-O 3.48Å; I322-W350 HydrophobicContact CG2-CB 4.23Å; I322-W350 HydrophobicContact CG2-CD2 4.28Å; I322-W350 HydrophobicContact CG2-CE3 4.43Å; I322-W350 HydrophobicContact CG2-CG 4.19Å
323I94.7Very high93.6Very high48 Ų4853.2 Ų53.225%0.24627%0.269CS..Hα-helixtrans-56.8-43.2-179.8-67.6166.9000109.6R319 A325 F326 K327 H349R319-I323 HydrophobicContact CB-CD1 4.23Å; R319-I323 HydrophobicContact CG-CD1 4.25Å; R319-I323 WeakPolarHBondContact O-CB 3.13Å; R319-I323 VanDerWaalsContact O-CG1 3.29Å; R319-I323 WeakPolarHBondContact O-CG1 3.3Å; R319-I323 PolarHBondContact O-N 2.94Å; I323-A325 PolarHBondContact O-N 3.37Å; I323-F326 PolarHBondContact O-N 3.09Å; I323-K327 WeakPolarHBondContact O-CA 3.42Å; I323-K327 VanDerWaalsContact O-CB 3.29Å; I323-K327 WeakPolarHBondContact O-CB 3.42Å; I323-K327 PolarHBondContact O-N 3.47Å; I323-H349 HydrophobicContact CB-CB 4.46Å; I323-H349 HydrophobicContact CG1-CB 4.04Å; I323-H349 HydrophobicContact CG2-CB 4.28Å
324G91.9Very high93.1Very high25 Ų2558.9 Ų58.926%0.25829%0.293SS..Hα-helixtrans-57.2-32.5177.100000113R165 A320 I322R165-G324 PolarHBondContact NH1-O 3.06Å; R165-G324 PolarHBondContact NH2-O 3.28Å; A320-G324 WeakPolarHBondContact O-CA 3.43Å; A320-G324 PolarHBondContact O-N 3.4Å; I322-G324 PolarHBondContact O-N 3.31Å
325A94.1Very high92.5Very high25 Ų2560.4 Ų60.421%0.20730%0.3CS..Hα-helixtrans-81.6-28.5179.300000114A158 C161 D321 I322 I323A158-A325 HydrophobicContact CB-CB 4.28Å; C161-A325 HydrophobicContact CB-CB 3.98Å; D321-A325 PolarHBondContact O-N 2.9Å; I322-A325 PolarHBondContact O-N 2.75Å; I323-A325 PolarHBondContact O-N 3.37Å
326F94.7Very high91.8Very high36 Ų3669.3 Ų69.316%0.15834%0.342CS..Hα-helixtrans-124.215-169.3-60-79.4000114.3M154 L157 I322 I323 M328M154-F326 HydrophobicContact CE-CD1 4.3Å; M154-F326 HydrophobicContact CE-CD2 3.3Å; M154-F326 HydrophobicContact CE-CE1 4.17Å; M154-F326 HydrophobicContact CE-CE2 3.17Å; M154-F326 HydrophobicContact CE-CG 3.89Å; M154-F326 HydrophobicContact CE-CZ 3.62Å; M154-F326 HydrophobicContact SD-CD1 4.15Å; M154-F326 HydrophobicContact SD-CD2 4.07Å; M154-F326 HydrophobicContact SD-CE1 3.61Å; M154-F326 HydrophobicContact SD-CE2 3.54Å; M154-F326 VanDerWaalsContact SD-CE2 3.54Å; M154-F326 HydrophobicContact SD-CG 4.35Å; M154-F326 HydrophobicContact SD-CZ 3.26Å; M154-F326 WeakPolarHBondContact SD-CZ 3.47Å; L157-F326 HydrophobicContact CB-CE1 4.44Å; L157-F326 HydrophobicContact CB-CE2 4.4Å; L157-F326 HydrophobicContact CB-CZ 3.65Å; L157-F326 HydrophobicContact CD1-CE1 3.96Å; L157-F326 HydrophobicContact CD1-CZ 3.83Å; L157-F326 HydrophobicContact CG-CZ 4.41Å; I322-F326 HydrophobicContact CG2-CD2 4.28Å; I322-F326 WeakPolarHBondContact O-CD2 3.44Å; I322-F326 PolarHBondContact O-N 2.67Å; I323-F326 PolarHBondContact O-N 3.09Å; F326-M328 PolarHBondContact O-N 3.03Å
327K90.8Very high91.1Very high123 Ų12372.1 Ų72.154%0.53536%0.357SS..  trans-59127.6-178.8-165.3169179-169.70111.2I323 E329I323-K327 WeakPolarHBondContact O-CA 3.42Å; I323-K327 VanDerWaalsContact O-CB 3.29Å; I323-K327 WeakPolarHBondContact O-CB 3.42Å; I323-K327 PolarHBondContact O-N 3.47Å; K327-E329 WeakPolarHBondContact CE-OE1 3.47Å; K327-E329 WeakPolarHBondContact CE-OE2 3.26Å; K327-E329 HydrophobicContact CG-CG 4.32Å; K327-E329 VanDerWaalsContact NZ-CD 3.31Å; K327-E329 IonicContact NZ-OE1 2.84Å; K327-E329 PolarHBondContact NZ-OE1 3.32Å; K327-E329 VanDerWaalsContact NZ-OE1 3.13Å; K327-E329 IonicContact NZ-OE2 3.18Å; K327-E329 PolarHBondContact NZ-OE2 2.98Å
328M82.8Confident89.9Confident90 Ų9072 Ų7244%0.44336%0.357SS..  trans-141.8108.8-178.7-176.2-174-62.100110.8F326 P330 R348 H349F326-M328 PolarHBondContact O-N 3.03Å; M328-P330 VanDerWaalsContact C-CD 3.49Å; M328-R348 PolarHBondContact O-NE 3.23Å; M328-H349 PolarHBondContact N-CE1 3.32Å; M328-H349 VanDerWaalsContact N-CE1 3.32Å; M328-H349 PolarHBondContact N-ND1 3.03Å; M328-H349 PolarHBondContact O-CE1 3.3Å
329E86.1Confident88.4Confident83 Ų8375.6 Ų75.639%0.38838%0.376SS..  trans-131.854.4-172.6-65.1-177.5148.800114.4K327K327-E329 WeakPolarHBondContact CE-OE1 3.47Å; K327-E329 WeakPolarHBondContact CE-OE2 3.26Å; K327-E329 HydrophobicContact CG-CG 4.32Å; K327-E329 VanDerWaalsContact NZ-CD 3.31Å; K327-E329 IonicContact NZ-OE1 2.84Å; K327-E329 PolarHBondContact NZ-OE1 3.32Å; K327-E329 VanDerWaalsContact NZ-OE1 3.13Å; K327-E329 IonicContact NZ-OE2 3.18Å; K327-E329 PolarHBondContact NZ-OE2 2.98Å
330P90.6Very high86.9Confident38 Ų3875.1 Ų75.125%0.24738%0.379CS..  trans-62.3151.116731.3-36.2000110.4M328 Y332 L333M328-P330 VanDerWaalsContact C-CD 3.49Å; P330-Y332 HydrophobicContact CB-CD1 3.86Å; P330-Y332 HydrophobicContact CB-CE1 3.42Å; P330-Y332 VanDerWaalsContact CB-CE1 3.42Å; P330-Y332 HydrophobicContact CG-CD1 4.25Å; P330-Y332 HydrophobicContact CG-CE1 3.66Å; P330-Y332 HydrophobicContact CG-CE2 4.05Å; P330-Y332 PolarHBondContact O-N 3.46Å; P330-Y332 VanDerWaalsContact O-N 3.13Å; P330-L333 HydrophobicContact CG-CB 4.11Å; P330-L333 HydrophobicContact CG-CD1 3.6Å; P330-L333 HydrophobicContact CG-CG 3.75Å; P330-L333 PolarHBondContact O-N 3.09Å
331L90.8Very high85.2Confident145 Ų14576.3 Ų76.376%0.75939%0.39SS*.G310 helixtrans-54.2-38.2-172.4-17760.8000113.4L333 K334L331-L333 PolarHBondContact O-N 3.13Å; L331-K334 HydrophobicContact CD1-CD 4.18Å; L331-K334 WeakPolarHBondContact O-CB 3.42Å; L331-K334 PolarHBondContact O-N 3.29Å; L331-K334 VanDerWaalsContact O-N 3.15Å
332Y89.4Confident83.5Confident180 Ų18076.7 Ų76.771%0.70640%0.4SS*.G310 helixtrans-70.6-8.1-179.165-98.4000114.5P330P330-Y332 HydrophobicContact CB-CD1 3.86Å; P330-Y332 HydrophobicContact CB-CE1 3.42Å; P330-Y332 VanDerWaalsContact CB-CE1 3.42Å; P330-Y332 HydrophobicContact CG-CD1 4.25Å; P330-Y332 HydrophobicContact CG-CE1 3.66Å; P330-Y332 HydrophobicContact CG-CE2 4.05Å; P330-Y332 PolarHBondContact O-N 3.46Å; P330-Y332 VanDerWaalsContact O-N 3.13Å
333L90.6Very high82.2Confident9 Ų982.1 Ų82.15%0.04743%0.429CS..G310 helixtrans-103.1-0.9175.3-67.6-173.2000112.7F103 P330 L331 Q338 R348 L354F103-L333 HydrophobicContact CD2-CD2 3.98Å; F103-L333 HydrophobicContact CE2-CD2 3.63Å; F103-L333 HydrophobicContact CZ-CD2 4.21Å; P330-L333 HydrophobicContact CG-CB 4.11Å; P330-L333 HydrophobicContact CG-CD1 3.6Å; P330-L333 HydrophobicContact CG-CG 3.75Å; P330-L333 PolarHBondContact O-N 3.09Å; L331-L333 PolarHBondContact O-N 3.13Å; L333-Q338 PolarHBondContact O-NE2 3.39Å; L333-R348 PolarHBondContact O-NH1 3.07Å; L333-L354 HydrophobicContact CD1-CD1 3.62Å; L333-L354 HydrophobicContact CD1-CD2 4.28Å; L333-L354 HydrophobicContact CD2-CD1 4.41Å; L333-L354 HydrophobicContact CD2-CD2 4.4Å
334K88.3Confident81.3Confident119 Ų11981.4 Ų81.452%0.51743%0.426SS..  trans-76.5148.8-179.8-65.3-166.7177.5-171.90112.3L331 Q338L331-K334 HydrophobicContact CD1-CD 4.18Å; L331-K334 WeakPolarHBondContact O-CB 3.42Å; L331-K334 PolarHBondContact O-N 3.29Å; L331-K334 VanDerWaalsContact O-N 3.15Å; K334-Q338 VanDerWaalsContact CA-OE1 3.27Å
335H86.5Confident81Confident33 Ų3381.1 Ų81.115%0.15342%0.419CS..  trans-152.4159.7173.763.677.4000111.1A106 N337 Q338 D346A106-H335 HydrophobicContact CB-CB 3.72Å; H335-N337 PolarHBondContact ND1-N 3.45Å; H335-N337 PolarHBondContact O-N 3.06Å; H335-Q338 PolarHBondContact CD2-NE2 3.42Å; H335-Q338 VanDerWaalsContact CD2-NE2 3.27Å; H335-Q338 WeakPolarHBondContact CE1-CG 3.41Å; H335-Q338 PolarHBondContact ND1-N 2.79Å; H335-Q338 WeakPolarHBondContact NE2-CG 3.19Å; H335-Q338 WeakPolarHBondContact O-CB 3.26Å; H335-Q338 WeakPolarHBondContact O-CG 3.29Å; H335-Q338 PolarHBondContact O-N 3.5Å; H335-Q338 VanDerWaalsContact O-N 3.12Å; H335-D346 IonicContact NE2-OD1 3.49Å; H335-D346 PolarHBondContact NE2-OD1 2.83Å; H335-D346 IonicContact NE2-OD2 2.96Å; H335-D346 PolarHBondContact NE2-OD2 2.95Å
336E84.2Confident80.9Confident188 Ų18880.6 Ų80.688%0.87941%0.413SS*.G310 helixtrans-58.8-33.4-171.7-62.6177.1173.800113.4Q338E336-Q338 VanDerWaalsContact C-N 3.31Å; E336-Q338 PolarHBondContact O-N 3.3Å
337N82.5Confident81Confident59 Ų5979 Ų7932%0.31641%0.406SS..G310 helixtrans-83.39.5-179.4-56.4-60.3000115.7W105 H335 E339 S340 V344W105-N337 VanDerWaalsContact CZ3-ND2 3.26Å; W105-N337 WeakPolarHBondContact CZ3-ND2 3.5Å; H335-N337 PolarHBondContact ND1-N 3.45Å; H335-N337 PolarHBondContact O-N 3.06Å; N337-E339 VanDerWaalsContact C-N 3.3Å; N337-E339 PolarHBondContact O-N 2.85Å; N337-S340 VanDerWaalsContact CA-OG 3.31Å; N337-S340 WeakPolarHBondContact CA-OG 3.44Å; N337-S340 WeakPolarHBondContact O-CB 3.34Å; N337-S340 PolarHBondContact O-N 3.02Å; N337-S340 PolarHBondContact O-OG 3.32Å; N337-V344 HydrophobicContact CB-CG2 4.07Å
338Q72.4Confident81.2Confident53 Ų5373.6 Ų73.625%0.24838%0.382CS..G310 helixtrans-70.4-28.3179.7-77.5177.4-16.300113.1L333 K334 H335 E336 D346L333-Q338 PolarHBondContact O-NE2 3.39Å; K334-Q338 VanDerWaalsContact CA-OE1 3.27Å; H335-Q338 PolarHBondContact CD2-NE2 3.42Å; H335-Q338 VanDerWaalsContact CD2-NE2 3.27Å; H335-Q338 WeakPolarHBondContact CE1-CG 3.41Å; H335-Q338 PolarHBondContact ND1-N 2.79Å; H335-Q338 WeakPolarHBondContact NE2-CG 3.19Å; H335-Q338 WeakPolarHBondContact O-CB 3.26Å; H335-Q338 WeakPolarHBondContact O-CG 3.29Å; H335-Q338 PolarHBondContact O-N 3.5Å; H335-Q338 VanDerWaalsContact O-N 3.12Å; E336-Q338 VanDerWaalsContact C-N 3.31Å; E336-Q338 PolarHBondContact O-N 3.3Å; Q338-D346 PolarHBondContact NE2-OD2 3.49Å
339E64.9Low81.7Confident190 Ų19069.9 Ų69.989%0.88836%0.364SS*.G310 helixtrans-94.86.6-179.5-61.2-174.8176.700112.7N337 A341N337-E339 VanDerWaalsContact C-N 3.3Å; N337-E339 PolarHBondContact O-N 2.85Å; E339-A341 PolarHBondContact O-N 2.73Å
340S63.7Low82.3Confident35 Ų3566.2 Ų66.225%0.24535%0.347CS..SBendtrans-70.364.5179.7-56.20000112N337 G342 L343N337-S340 VanDerWaalsContact CA-OG 3.31Å; N337-S340 WeakPolarHBondContact CA-OG 3.44Å; N337-S340 WeakPolarHBondContact O-CB 3.34Å; N337-S340 PolarHBondContact O-N 3.02Å; N337-S340 PolarHBondContact O-OG 3.32Å; S340-G342 PolarHBondContact O-N 3.4Å; S340-L343 WeakPolarHBondContact O-CB 3.34Å; S340-L343 PolarHBondContact O-N 2.74Å
341A58Low82.5Confident96 Ų9664.6 Ų64.679%0.79334%0.336SS*.THydrogen-bonded Turntrans3535.3166.500000117.2E339 L343E339-A341 PolarHBondContact O-N 2.73Å; A341-L343 VanDerWaalsContact C-N 3.34Å; A341-L343 PolarHBondContact O-N 3.38Å
342G60.5Low82.8Confident36 Ų3661.8 Ų61.837%0.37132%0.32SS..THydrogen-bonded Turntrans7610.5-17800000116.4R319 S340R319-G342 PolarHBondContact NH1-O 3.24Å; R319-G342 PolarHBondContact NH2-O 2.99Å; S340-G342 PolarHBondContact O-N 3.4Å
343L68.4Low83.2Confident114 Ų11456.5 Ų56.560%0.59731%0.308SS*.THydrogen-bonded Turntrans-71-31171.1-69.2169.1000112S340 A341S340-L343 WeakPolarHBondContact O-CB 3.34Å; S340-L343 PolarHBondContact O-N 2.74Å; A341-L343 VanDerWaalsContact C-N 3.34Å; A341-L343 PolarHBondContact O-N 3.38Å
344V76.6Confident83.5Confident33 Ų3358.9 Ų58.920%0.232%0.321CS..SBendtrans-106.4132.6-176.3178.50000110.6W105 N337W105-V344 HydrophobicContact CB-CG1 3.22Å; W105-V344 HydrophobicContact CD2-CG1 4.22Å; W105-V344 HydrophobicContact CG-CG1 3.51Å; N337-V344 HydrophobicContact CB-CG2 4.07Å
345T85.3Confident83.8Confident18 Ų1855 Ų5511%0.1132%0.315CS..  trans-108.1113.2178.3-61.60000110.8T112 Y347 W350T112-T345 WeakPolarHBondContact CG2-O 3.47Å; T345-Y347 HydrophobicContact CG2-CD1 3.77Å; T345-Y347 HydrophobicContact CG2-CD2 4.27Å; T345-Y347 HydrophobicContact CG2-CE1 3.68Å; T345-Y347 HydrophobicContact CG2-CE2 4.19Å; T345-Y347 HydrophobicContact CG2-CG 4.08Å; T345-Y347 PolarHBondContact O-N 2.91Å; T345-W350 HydrophobicContact CG2-CZ2 4.25Å
346D92.6Very high84.3Confident14 Ų1453.8 Ų53.88%0.07531%0.309CS..  trans-88.894.2169.6-85.5-8.4000109.8S104 W105 H335 Q338 R348 H349S104-D346 WeakPolarHBondContact CA-OD1 3.3Å; S104-D346 WeakPolarHBondContact CB-OD1 3.29Å; W105-D346 PolarHBondContact N-OD1 3.39Å; H335-D346 IonicContact NE2-OD1 3.49Å; H335-D346 PolarHBondContact NE2-OD1 2.83Å; H335-D346 IonicContact NE2-OD2 2.96Å; H335-D346 PolarHBondContact NE2-OD2 2.95Å; Q338-D346 PolarHBondContact NE2-OD2 3.49Å; D346-R348 HydrophobicContact CB-CG 4.32Å; D346-R348 PolarHBondContact O-N 3.44Å; D346-R348 VanDerWaalsContact O-N 3.09Å; D346-R348 IonicContact OD2-CZ 3.68Å; D346-R348 IonicContact OD2-NE 3.48Å; D346-R348 IonicContact OD2-NH1 3.74Å; D346-R348 IonicContact OD2-NH2 3.53Å; D346-R348 PolarHBondContact OD2-NH2 3.42Å; D346-R348 VanDerWaalsContact OD2-NH2 3.16Å; D346-H349 WeakPolarHBondContact O-CB 3.3Å; D346-H349 PolarHBondContact O-CD2 2.98Å; D346-H349 PolarHBondContact O-N 2.86Å
347Y95.3Very high85Confident4 Ų447.9 Ų47.92%0.01628%0.278CS..G310 helixtrans-63.7-13.9-174.9-81.2-58.5000114.8T112 E115 T116 G142 V143 T345 H349 W350T112-Y347 HydrophobicContact CG2-CD2 3.97Å; T112-Y347 HydrophobicContact CG2-CE2 3.94Å; E115-Y347 HydrophobicContact CB-CE2 3.92Å; E115-Y347 HydrophobicContact CG-CE2 4.01Å; T116-Y347 PolarHBondContact N-OH 3.25Å; T116-Y347 PolarHBondContact OG1-OH 2.97Å; G142-Y347 VanDerWaalsContact O-CE1 3.28Å; G142-Y347 WeakPolarHBondContact O-CE1 3.45Å; G142-Y347 PolarHBondContact O-OH 3.47Å; V143-Y347 HydrophobicContact CB-CD1 3.92Å; V143-Y347 HydrophobicContact CB-CE1 3.77Å; V143-Y347 HydrophobicContact CG2-CD1 3.58Å; V143-Y347 HydrophobicContact CG2-CE1 3.91Å; V143-Y347 HydrophobicContact CG2-CG 4.39Å; T345-Y347 HydrophobicContact CG2-CD1 3.77Å; T345-Y347 HydrophobicContact CG2-CD2 4.27Å; T345-Y347 HydrophobicContact CG2-CE1 3.68Å; T345-Y347 HydrophobicContact CG2-CE2 4.19Å; T345-Y347 HydrophobicContact CG2-CG 4.08Å; T345-Y347 PolarHBondContact O-N 2.91Å; Y347-H349 PolarHBondContact O-N 3.42Å; Y347-W350 HydrophobicContact CD1-CB 4.08Å; Y347-W350 HydrophobicContact CD1-CD2 4.47Å; Y347-W350 HydrophobicContact CD1-CG 4.07Å; Y347-W350 WeakPolarHBondContact O-CB 3.26Å; Y347-W350 PolarHBondContact O-N 3.48Å
348R94.8Very high85.7Confident8 Ų845.8 Ų45.83%0.0327%0.266CS..G310 helixtrans-55.9-27.4166.966-177-173.6-137.7-0.4113.2F103 M328 L333 D346 W350 L354F103-R348 HydrophobicContact CB-CB 4.34Å; F103-R348 WeakPolarHBondContact O-CB 3.37Å; F103-R348 VanDerWaalsContact O-CG 3.25Å; F103-R348 WeakPolarHBondContact O-CG 3.18Å; F103-R348 PolarHBondContact O-N 2.89Å; F103-R348 VanDerWaalsContact O-N 3.14Å; M328-R348 PolarHBondContact O-NE 3.23Å; L333-R348 PolarHBondContact O-NH1 3.07Å; D346-R348 HydrophobicContact CB-CG 4.32Å; D346-R348 PolarHBondContact O-N 3.44Å; D346-R348 VanDerWaalsContact O-N 3.09Å; D346-R348 IonicContact OD2-CZ 3.68Å; D346-R348 IonicContact OD2-NE 3.48Å; D346-R348 IonicContact OD2-NH1 3.74Å; D346-R348 IonicContact OD2-NH2 3.53Å; D346-R348 PolarHBondContact OD2-NH2 3.42Å; D346-R348 VanDerWaalsContact OD2-NH2 3.16Å; R348-W350 PolarHBondContact O-N 3.32Å; R348-L354 HydrophobicContact CB-CD1 4Å
349H95.1Very high87Confident13 Ų1344.6 Ų44.66%0.0626%0.26CS..G310 helixtrans-82.5-0.7177.3-57.2-49000113.2I322 I323 M328 D346 Y347I322-H349 WeakPolarHBondContact CG2-O 3.48Å; I323-H349 HydrophobicContact CB-CB 4.46Å; I323-H349 HydrophobicContact CG1-CB 4.04Å; I323-H349 HydrophobicContact CG2-CB 4.28Å; M328-H349 PolarHBondContact N-CE1 3.32Å; M328-H349 VanDerWaalsContact N-CE1 3.32Å; M328-H349 PolarHBondContact N-ND1 3.03Å; M328-H349 PolarHBondContact O-CE1 3.3Å; D346-H349 WeakPolarHBondContact O-CB 3.3Å; D346-H349 PolarHBondContact O-CD2 2.98Å; D346-H349 PolarHBondContact O-N 2.86Å; Y347-H349 PolarHBondContact O-N 3.42Å
350W96.9Very high88.6Confident6 Ų635.6 Ų35.62%0.02322%0.217CC..G310 helixtrans-118.613-174.7-65.267.8000112.6V143 Q145 M154 V316 R319 I322 T345 Y347 R348V143-W350 HydrophobicContact CB-CB 4.17Å; V143-W350 HydrophobicContact CB-CE3 4.19Å; V143-W350 HydrophobicContact CG1-CB 4.25Å; V143-W350 HydrophobicContact CG1-CE3 4.08Å; V143-W350 HydrophobicContact CG2-CB 3.98Å; Q145-W350 PolarHBondContact NE2-O 2.71Å; M154-W350 WeakPolarHBondContact CE-O 3.36Å; V316-W350 HydrophobicContact CG2-CE3 4.16Å; V316-W350 HydrophobicContact CG2-CH2 4.12Å; V316-W350 HydrophobicContact CG2-CZ3 3.48Å; V316-W350 VanDerWaalsContact CG2-CZ3 3.48Å; R319-W350 HydrophobicContact CB-CH2 3.27Å; R319-W350 HydrophobicContact CB-CZ2 3.22Å; R319-W350 HydrophobicContact CB-CZ3 4.25Å; R319-W350 HydrophobicContact CG-CH2 4.41Å; R319-W350 HydrophobicContact CG-CZ2 4.13Å; I322-W350 HydrophobicContact CG2-CB 4.23Å; I322-W350 HydrophobicContact CG2-CD2 4.28Å; I322-W350 HydrophobicContact CG2-CE3 4.43Å; I322-W350 HydrophobicContact CG2-CG 4.19Å; T345-W350 HydrophobicContact CG2-CZ2 4.25Å; Y347-W350 HydrophobicContact CD1-CB 4.08Å; Y347-W350 HydrophobicContact CD1-CD2 4.47Å; Y347-W350 HydrophobicContact CD1-CG 4.07Å; Y347-W350 WeakPolarHBondContact O-CB 3.26Å; Y347-W350 PolarHBondContact O-N 3.48Å; R348-W350 PolarHBondContact O-N 3.32Å
351Q96.6Very high90.2Very high4 Ų434.4 Ų34.42%0.01921%0.208CC..SBendtrans-151.8170.7-179.567.117318.100110.5P353 L354 G355 R356Q351-P353 VanDerWaalsContact CD-O 3.3Å; Q351-P353 HydrophobicContact CG-CG 4.35Å; Q351-P353 WeakPolarHBondContact CG-O 3.47Å; Q351-P353 PolarHBondContact NE2-O 2.96Å; Q351-L354 PolarHBondContact NE2-O 3.42Å; Q351-L354 VanDerWaalsContact NE2-O 3.1Å; Q351-G355 PolarHBondContact NE2-O 2.81Å; Q351-G355 VanDerWaalsContact NE2-O 3.13Å; Q351-R356 VanDerWaalsContact CD-NE 3.34Å
352I96.8Very high92.2Very high85 Ų8529.8 Ų29.844%0.43617%0.17SC..SBendtrans-74.5-53.5175.7-58.2176.2000112.3L153 M154L153-I352 HydrophobicContact CD2-CD1 3.56Å; L153-I352 HydrophobicContact CG-CD1 4.13Å; M154-I352 HydrophobicContact CG-CG1 4.21Å; M154-I352 HydrophobicContact SD-CD1 4.39Å; M154-I352 HydrophobicContact SD-CG1 3.49Å; M154-I352 WeakPolarHBondContact SD-CG1 3.47Å
353P96.9Very high94Very high69 Ų6928.1 Ų28.145%0.44815%0.153SC..SBendtrans-77.5164.3-177.431.1-36.1000112.7Q351Q351-P353 VanDerWaalsContact CD-O 3.3Å; Q351-P353 HydrophobicContact CG-CG 4.35Å; Q351-P353 WeakPolarHBondContact CG-O 3.47Å; Q351-P353 PolarHBondContact NE2-O 2.96Å
354L96.4Very high95.4Very high59 Ų5926.4 Ų26.431%0.30914%0.138SC..SBendtrans-74-60.4171.3177.862.8000111.4F103 L333 R348 Q351F103-L354 HydrophobicContact CB-CD1 3.9Å; F103-L354 HydrophobicContact CB-CG 4.15Å; F103-L354 WeakPolarHBondContact CB-O 3.34Å; F103-L354 HydrophobicContact CD2-CD1 4.47Å; F103-L354 HydrophobicContact CG-CD1 4.23Å; F103-L354 HydrophobicContact CG-CG 4.4Å; L333-L354 HydrophobicContact CD1-CD1 3.62Å; L333-L354 HydrophobicContact CD1-CD2 4.28Å; L333-L354 HydrophobicContact CD2-CD1 4.41Å; L333-L354 HydrophobicContact CD2-CD2 4.4Å; R348-L354 HydrophobicContact CB-CD1 4Å; Q351-L354 PolarHBondContact NE2-O 3.42Å; Q351-L354 VanDerWaalsContact NE2-O 3.1Å
355G96Very high96.5Very high38 Ų3826.8 Ų26.839%0.39214%0.138SC..  trans-71149.7-175.100000113.2Q351Q351-G355 PolarHBondContact NE2-O 2.81Å; Q351-G355 VanDerWaalsContact NE2-O 3.13Å
356R97.3Very high97.1Very high7 Ų725.9 Ų25.93%0.02613%0.132CC..  trans-152143.4171.846.4168.540.3-115.20.2111.4I101 G102 E115 I144 Q351I101-R356 CarbonylContact C-O 3.59Å; I101-R356 WeakPolarHBondContact CA-O 3.35Å; G102-R356 PolarHBondContact N-O 2.77Å; G102-R356 WeakPolarHBondContact O-CD 3.18Å; G102-R356 WeakPolarHBondContact O-CG 3.34Å; E115-R356 IonicContact OE1-CZ 3.22Å; E115-R356 IonicContact OE1-NH1 2.67Å; E115-R356 PolarHBondContact OE1-NH1 2.91Å; E115-R356 IonicContact OE2-NH1 3.33Å; E115-R356 PolarHBondContact OE2-NH1 3.19Å; E115-R356 VanDerWaalsContact OE2-NH1 3.11Å; I144-R356 PolarHBondContact O-NH1 3.18Å; I144-R356 PolarHBondContact O-NH2 3.28Å; Q351-R356 VanDerWaalsContact CD-NE 3.34Å
357R97.2Very high97.4Very high65 Ų6525.8 Ų25.825%0.24513%0.131CC..  trans-86.9167.3179.873.4-171.8-166.794.7-16.2111.7D92 D310 R359D92-R357 IonicContact OD1-CZ 3.76Å; D92-R357 IonicContact OD1-NH1 2.75Å; D92-R357 PolarHBondContact OD1-NH1 3.32Å; D92-R357 IonicContact OD1-NH2 3.21Å; D92-R357 IonicContact OD2-NH1 2.76Å; D92-R357 IonicContact OD2-NH2 3.7Å; D310-R357 IonicContact OD1-CZ 2.96Å; D310-R357 IonicContact OD1-NE 2.69Å; D310-R357 PolarHBondContact OD1-NE 3.24Å; D310-R357 IonicContact OD1-NH2 2.74Å; D310-R357 PolarHBondContact OD1-NH2 3.29Å; D310-R357 IonicContact OD2-NE 3.52Å; R357-R359 HydrophobicContact CG-CG 3.51Å; R357-R359 PolarHBondContact O-N 2.88Å
358F98.4Very high97.6Very high14 Ų1433.2 Ų33.26%0.06116%0.159CC..  trans-76.558.6-178.6-158.5-8.1000113.7I98 A110 C111 L114 S360 L361I98-F358 HydrophobicContact CD1-CD2 4.25Å; I98-F358 HydrophobicContact CD1-CE2 4.37Å; I98-F358 HydrophobicContact CG2-CD2 4.46Å; A110-F358 HydrophobicContact CB-CE2 4.34Å; A110-F358 HydrophobicContact CB-CZ 4.14Å; A110-F358 WeakPolarHBondContact O-CE1 3.31Å; A110-F358 WeakPolarHBondContact O-CZ 3.28Å; C111-F358 HydrophobicContact CB-CD1 4.2Å; C111-F358 HydrophobicContact CB-CE1 4.45Å; C111-F358 HydrophobicContact CB-CG 4.26Å; L114-F358 HydrophobicContact CB-CE1 3.92Å; L114-F358 HydrophobicContact CB-CZ 4.25Å; L114-F358 HydrophobicContact CD2-CE1 3.59Å; L114-F358 HydrophobicContact CD2-CZ 3.8Å; L114-F358 HydrophobicContact CG-CE1 4.28Å; F358-S360 VanDerWaalsContact C-N 3.29Å; F358-S360 WeakPolarHBondContact CD1-OG 3.29Å; F358-S360 VanDerWaalsContact CE1-OG 3.29Å; F358-S360 WeakPolarHBondContact CE1-OG 3.49Å; F358-S360 PolarHBondContact O-N 2.95Å; F358-L361 HydrophobicContact CD1-CB 4.17Å; F358-L361 HydrophobicContact CE1-CB 4.4Å; F358-L361 HydrophobicContact CG-CB 4.36Å; F358-L361 WeakPolarHBondContact O-CB 3.37Å; F358-L361 PolarHBondContact O-N 3.25Å
359R98.5Very high97.8Very high29 Ų2939 Ų3911%0.10919%0.188CC..THydrogen-bonded Turntrans-63.3-29.7-174-62.2-178.3179.6112.6-4.2114.2I144 D310 R357 L361 K362I144-R359 HydrophobicContact CB-CB 4.41Å; I144-R359 HydrophobicContact CD1-CB 3.98Å; I144-R359 HydrophobicContact CG2-CB 3.95Å; I144-R359 VanDerWaalsContact CG2-CD 3.46Å; I144-R359 HydrophobicContact CG2-CG 4.38Å; I144-R359 PolarHBondContact O-NH1 3.45Å; D310-R359 IonicContact OD2-CZ 2.89Å; D310-R359 VanDerWaalsContact OD2-CZ 3.32Å; D310-R359 IonicContact OD2-NE 2.71Å; D310-R359 PolarHBondContact OD2-NE 3.43Å; D310-R359 IonicContact OD2-NH2 3.71Å; D310-R359 PolarHBondContact OD2-NH2 3.05Å; R357-R359 HydrophobicContact CG-CG 3.51Å; R357-R359 PolarHBondContact O-N 2.88Å; R359-L361 PolarHBondContact O-N 3.04Å; R359-K362 WeakPolarHBondContact O-CG 3.46Å; R359-K362 PolarHBondContact O-N 3.36Å
360S98.6Very high97.9Very high0 Ų041.6 Ų41.60%020%0.198CC..Hα-helixtrans-66.2-19.1-178.554.80000113.3E115 F358 K362 L363 W364E115-S360 PolarHBondContact N-OG 3.44Å; F358-S360 VanDerWaalsContact C-N 3.29Å; F358-S360 WeakPolarHBondContact CD1-OG 3.29Å; F358-S360 VanDerWaalsContact CE1-OG 3.29Å; F358-S360 WeakPolarHBondContact CE1-OG 3.49Å; F358-S360 PolarHBondContact O-N 2.95Å; S360-K362 PolarHBondContact O-N 2.9Å; S360-L363 PolarHBondContact O-N 3.2Å; S360-W364 PolarHBondContact O-N 2.75Å
361L98.4Very high98Very high10 Ų1042.6 Ų42.65%0.05221%0.21CC..Hα-helixtrans-61.1-42.7178.7-170.161.4000112.4A91 L94 C95 I98 L114 F358 R359 W364 F365A91-L361 HydrophobicContact CB-CG 4.46Å; L94-L361 HydrophobicContact CB-CD2 4.09Å; L94-L361 HydrophobicContact CD2-CD2 3.98Å; L94-L361 HydrophobicContact CG-CD2 3.88Å; C95-L361 HydrophobicContact CB-CD2 4.27Å; I98-L361 HydrophobicContact CD1-CD2 4.27Å; L114-L361 HydrophobicContact CD2-CD1 4.22Å; F358-L361 HydrophobicContact CD1-CB 4.17Å; F358-L361 HydrophobicContact CE1-CB 4.4Å; F358-L361 HydrophobicContact CG-CB 4.36Å; F358-L361 WeakPolarHBondContact O-CB 3.37Å; F358-L361 PolarHBondContact O-N 3.25Å; R359-L361 PolarHBondContact O-N 3.04Å; L361-W364 HydrophobicContact CD1-CE3 4.17Å; L361-W364 WeakPolarHBondContact O-CB 3.4Å; L361-W364 PolarHBondContact O-N 2.72Å; L361-F365 HydrophobicContact CD1-CD2 4.28Å; L361-F365 HydrophobicContact CD1-CE2 3.84Å; L361-F365 HydrophobicContact CG-CD2 4.44Å; L361-F365 HydrophobicContact CG-CE2 4.19Å; L361-F365 VanDerWaalsContact O-CD2 3.26Å; L361-F365 WeakPolarHBondContact O-CD2 3.32Å; L361-F365 PolarHBondContact O-N 3.43Å
362K98.5Very high98.1Very high0 Ų045.7 Ų45.70%023%0.227CC..Hα-helixtrans-72.7-31.1177.156.7175.2170.6-173.50113.8A88 A91 D92 V307 N308 D310 R359 S360 W364 V366A88-K362 HydrophobicContact CB-CB 4.32Å; A91-K362 VanDerWaalsContact CB-CA 3.47Å; A91-K362 HydrophobicContact CB-CB 3.71Å; D92-K362 IonicContact OD1-NZ 3.71Å; D92-K362 IonicContact OD2-NZ 3.69Å; D92-K362 PolarHBondContact OD2-NZ 2.67Å; D92-K362 VanDerWaalsContact OD2-NZ 3.1Å; V307-K362 HydrophobicContact CG1-CB 4.48Å; V307-K362 HydrophobicContact CG1-CD 3.6Å; V307-K362 HydrophobicContact CG1-CG 3.84Å; N308-K362 PolarHBondContact O-NZ 2.91Å; D310-K362 WeakPolarHBondContact O-CE 3.48Å; D310-K362 PolarHBondContact O-NZ 3.37Å; R359-K362 WeakPolarHBondContact O-CG 3.46Å; R359-K362 PolarHBondContact O-N 3.36Å; S360-K362 PolarHBondContact O-N 2.9Å; K362-W364 VanDerWaalsContact C-N 3.32Å; K362-V366 WeakPolarHBondContact O-CB 3.19Å; K362-V366 VanDerWaalsContact O-CG2 3.26Å; K362-V366 WeakPolarHBondContact O-CG2 3.37Å; K362-V366 PolarHBondContact O-N 3.12Å
363L98.8Very high98.2Very high0 Ų050.2 Ų50.20%024%0.243CC..Hα-helixtrans-61.3-46.2168.9-75.6171.1000110.3M118 L119 I144 P301 V307 S360 F365 V366 F367M118-L363 HydrophobicContact CB-CB 4.37Å; M118-L363 HydrophobicContact CB-CD1 4.42Å; M118-L363 HydrophobicContact CG-CB 4.32Å; L119-L363 HydrophobicContact CD2-CD1 4.24Å; I144-L363 HydrophobicContact CD1-CD1 3.56Å; I144-L363 HydrophobicContact CG1-CD1 4.27Å; P301-L363 HydrophobicContact CB-CD2 4Å; P301-L363 HydrophobicContact CG-CD2 4.13Å; V307-L363 HydrophobicContact CG2-CD2 3.69Å; S360-L363 PolarHBondContact O-N 3.2Å; L363-F365 PolarHBondContact O-N 2.8Å; L363-V366 PolarHBondContact O-N 3.48Å; L363-F367 HydrophobicContact CB-CE2 4.24Å; L363-F367 HydrophobicContact CB-CZ 4.34Å; L363-F367 HydrophobicContact CD2-CE1 3.94Å; L363-F367 HydrophobicContact CD2-CE2 4.27Å; L363-F367 HydrophobicContact CD2-CZ 3.59Å; L363-F367 HydrophobicContact CG-CZ 4.48Å; L363-F367 WeakPolarHBondContact O-CB 3.29Å; L363-F367 WeakPolarHBondContact O-CD1 3.29Å; L363-F367 WeakPolarHBondContact O-CG 3.43Å; L363-F367 PolarHBondContact O-N 3.35Å
364W98.8Very high98.3Very high78 Ų7848.2 Ų48.230%0.29524%0.235SC..Hα-helixtrans-59.7-44.3-180-17364000112.6L114 M118 S360 L361 K362 R368L114-W364 HydrophobicContact CD1-CB 4.28Å; L114-W364 HydrophobicContact CD1-CD2 4.46Å; L114-W364 HydrophobicContact CD1-CG 3.97Å; L114-W364 HydrophobicContact CD2-CB 4.14Å; L114-W364 HydrophobicContact CD2-CG 4.35Å; M118-W364 HydrophobicContact CE-CG 4.49Å; M118-W364 HydrophobicContact CG-CB 4.19Å; M118-W364 VanDerWaalsContact SD-CA 3.5Å; M118-W364 HydrophobicContact SD-CB 3.67Å; M118-W364 HydrophobicContact SD-CG 4.07Å; S360-W364 PolarHBondContact O-N 2.75Å; L361-W364 HydrophobicContact CD1-CE3 4.17Å; L361-W364 WeakPolarHBondContact O-CB 3.4Å; L361-W364 PolarHBondContact O-N 2.72Å; K362-W364 VanDerWaalsContact C-N 3.32Å; W364-R368 VanDerWaalsContact CE2-CD 3.48Å; W364-R368 VanDerWaalsContact CH2-NH1 3.33Å; W364-R368 WeakPolarHBondContact O-CB 3.24Å; W364-R368 VanDerWaalsContact O-CG 3.26Å; W364-R368 WeakPolarHBondContact O-CG 3.5Å; W364-R368 PolarHBondContact O-N 3.24Å; W364-R368 VanDerWaalsContact O-N 3.07Å
365F98.9Very high98.4Very high41 Ų4145.4 Ų45.418%0.1822%0.221CC..Hα-helixtrans-63.3-51.2175.7-85.8-128.2000111.6P87 V90 A91 L94 L361 L363 F367 R368 M369P87-F365 HydrophobicContact CB-CB 4.35Å; V90-F365 HydrophobicContact CG1-CE1 4.46Å; A91-F365 HydrophobicContact CB-CB 3.86Å; A91-F365 HydrophobicContact CB-CD1 3.82Å; A91-F365 HydrophobicContact CB-CD2 3.92Å; A91-F365 HydrophobicContact CB-CE1 4.32Å; A91-F365 HydrophobicContact CB-CE2 4.42Å; A91-F365 HydrophobicContact CB-CG 3.61Å; L94-F365 HydrophobicContact CD2-CZ 4.15Å; L361-F365 HydrophobicContact CD1-CD2 4.28Å; L361-F365 HydrophobicContact CD1-CE2 3.84Å; L361-F365 HydrophobicContact CG-CD2 4.44Å; L361-F365 HydrophobicContact CG-CE2 4.19Å; L361-F365 VanDerWaalsContact O-CD2 3.26Å; L361-F365 WeakPolarHBondContact O-CD2 3.32Å; L361-F365 PolarHBondContact O-N 3.43Å; L363-F365 PolarHBondContact O-N 2.8Å; F365-F367 PolarHBondContact O-N 2.99Å; F365-R368 PolarHBondContact O-N 3.25Å; F365-M369 HydrophobicContact CD1-SD 4.36Å; F365-M369 VanDerWaalsContact O-CB 3.3Å; F365-M369 WeakPolarHBondContact O-CB 3.25Å; F365-M369 VanDerWaalsContact O-CG 3.29Å; F365-M369 WeakPolarHBondContact O-CG 3.4Å; F365-M369 PolarHBondContact O-N 3.14Å
366V98.8Very high98.6Very high0 Ų044.8 Ų44.80%021%0.207CC..Hα-helixtrans-58.6-47.9-179.3168.90000110.9P87 A88 L306 V307 K362 L363 R368 M369 Y370 L375P87-V366 HydrophobicContact CB-CG2 4.23Å; A88-V366 HydrophobicContact CB-CG2 3.73Å; L306-V366 HydrophobicContact CB-CG1 4.46Å; V307-V366 HydrophobicContact CG2-CB 4.21Å; V307-V366 HydrophobicContact CG2-CG1 4.11Å; V307-V366 HydrophobicContact CG2-CG2 4.07Å; K362-V366 WeakPolarHBondContact O-CB 3.19Å; K362-V366 VanDerWaalsContact O-CG2 3.26Å; K362-V366 WeakPolarHBondContact O-CG2 3.37Å; K362-V366 PolarHBondContact O-N 3.12Å; L363-V366 PolarHBondContact O-N 3.48Å; V366-R368 PolarHBondContact O-N 3.45Å; V366-M369 PolarHBondContact O-N 3.31Å; V366-Y370 HydrophobicContact CG1-CD2 3.9Å; V366-Y370 HydrophobicContact CG1-CE2 4.45Å; V366-Y370 WeakPolarHBondContact O-CB 3.5Å; V366-Y370 WeakPolarHBondContact O-CD2 3.1Å; V366-Y370 PolarHBondContact O-N 2.96Å; V366-L375 HydrophobicContact CG1-CD2 3.99Å
367F98.7Very high98.6Very high12 Ų1247 Ų475%0.05323%0.227CC..Hα-helixtrans-64.4-40.4-178.6-66.3-6.7000112.3M118 W121 L122 M125 L305 L363 F365 G371 L375M118-F367 HydrophobicContact SD-CD2 4.05Å; W121-F367 HydrophobicContact CE3-CD2 4.42Å; L122-F367 HydrophobicContact CB-CE2 4.09Å; L122-F367 HydrophobicContact CB-CZ 4.14Å; L122-F367 HydrophobicContact CD1-CE1 4.46Å; L122-F367 HydrophobicContact CD1-CE2 4.39Å; L122-F367 HydrophobicContact CD1-CZ 3.71Å; L122-F367 HydrophobicContact CD2-CZ 4.13Å; L122-F367 HydrophobicContact CG-CZ 4.22Å; M125-F367 HydrophobicContact SD-CE2 4.44Å; L305-F367 HydrophobicContact CD2-CE1 4Å; L305-F367 HydrophobicContact CD2-CZ 4.4Å; L363-F367 HydrophobicContact CB-CE2 4.24Å; L363-F367 HydrophobicContact CB-CZ 4.34Å; L363-F367 HydrophobicContact CD2-CE1 3.94Å; L363-F367 HydrophobicContact CD2-CE2 4.27Å; L363-F367 HydrophobicContact CD2-CZ 3.59Å; L363-F367 HydrophobicContact CG-CZ 4.48Å; L363-F367 WeakPolarHBondContact O-CB 3.29Å; L363-F367 WeakPolarHBondContact O-CD1 3.29Å; L363-F367 WeakPolarHBondContact O-CG 3.43Å; L363-F367 PolarHBondContact O-N 3.35Å; F365-F367 PolarHBondContact O-N 2.99Å; F367-G371 WeakPolarHBondContact O-CA 3.3Å; F367-G371 PolarHBondContact O-N 3.06Å; F367-L375 HydrophobicContact CD1-CD1 3.83Å; F367-L375 HydrophobicContact CE1-CD1 4.23Å
368R98.8Very high98.7Very high160 Ų16045 Ų4560%0.60422%0.221SC*.Hα-helixtrans-74.3-36.6179.8-70.4-170.571.1-166.52.6113.3W364 F365 V366W364-R368 VanDerWaalsContact CE2-CD 3.48Å; W364-R368 VanDerWaalsContact CH2-NH1 3.33Å; W364-R368 WeakPolarHBondContact O-CB 3.24Å; W364-R368 VanDerWaalsContact O-CG 3.26Å; W364-R368 WeakPolarHBondContact O-CG 3.5Å; W364-R368 PolarHBondContact O-N 3.24Å; W364-R368 VanDerWaalsContact O-N 3.07Å; F365-R368 PolarHBondContact O-N 3.25Å; V366-R368 PolarHBondContact O-N 3.45Å
369M98.7Very high98.7Very high130 Ų13044.4 Ų44.464%0.6422%0.218SC*.Hα-helixtrans-84.6-33.2-175-66.1-176.473.500113.1P87 F365 V366P87-M369 HydrophobicContact CB-CB 4.27Å; P87-M369 HydrophobicContact CB-CG 4.46Å; P87-M369 HydrophobicContact CB-SD 3.63Å; P87-M369 HydrophobicContact CG-CB 4.01Å; P87-M369 HydrophobicContact CG-CE 4.09Å; P87-M369 HydrophobicContact CG-SD 3.79Å; F365-M369 HydrophobicContact CD1-SD 4.36Å; F365-M369 VanDerWaalsContact O-CB 3.3Å; F365-M369 WeakPolarHBondContact O-CB 3.25Å; F365-M369 VanDerWaalsContact O-CG 3.29Å; F365-M369 WeakPolarHBondContact O-CG 3.4Å; F365-M369 PolarHBondContact O-N 3.14Å; V366-M369 PolarHBondContact O-N 3.31Å
370Y98.7Very high98.7Very high66 Ų6647.6 Ų47.626%0.25923%0.23SC..Hα-helixtrans-89.3-33.6173.7-75-75.2000113.1S85 P87 L306 V366 G374 L375S85-Y370 WeakPolarHBondContact CB-OH 3.09Å; P87-Y370 HydrophobicContact CG-CD2 4.41Å; P87-Y370 HydrophobicContact CG-CE2 3.82Å; L306-Y370 HydrophobicContact CB-CE2 4.4Å; L306-Y370 HydrophobicContact CD1-CD1 4.29Å; L306-Y370 HydrophobicContact CD1-CD2 4.39Å; L306-Y370 HydrophobicContact CD1-CE1 3.95Å; L306-Y370 HydrophobicContact CD1-CE2 4.03Å; V366-Y370 HydrophobicContact CG1-CD2 3.9Å; V366-Y370 HydrophobicContact CG1-CE2 4.45Å; V366-Y370 WeakPolarHBondContact O-CB 3.5Å; V366-Y370 WeakPolarHBondContact O-CD2 3.1Å; V366-Y370 PolarHBondContact O-N 2.96Å; Y370-G374 WeakPolarHBondContact O-CA 3.22Å; Y370-G374 PolarHBondContact O-N 2.92Å; Y370-L375 HydrophobicContact CD2-CD2 4.34Å; Y370-L375 HydrophobicContact CG-CD2 4.19Å
371G98.6Very high98.7Very high28 Ų2851.7 Ų51.729%0.28925%0.248SC..Hα-helixtrans65163.1-166.400000112.9F367 K373 G374 L375F367-G371 WeakPolarHBondContact O-CA 3.3Å; F367-G371 PolarHBondContact O-N 3.06Å; G371-K373 VanDerWaalsContact C-N 3.29Å; G371-K373 PolarHBondContact O-N 3.16Å; G371-G374 PolarHBondContact O-N 3.04Å; G371-L375 WeakPolarHBondContact O-CG 3.32Å; G371-L375 PolarHBondContact O-N 3.48Å; G371-L375 VanDerWaalsContact O-N 3.14Å
372L98.7Very high98.8Very high69 Ų6951.2 Ų51.236%0.36125%0.245SC..Hα-helixtrans-57.4-41.5178.7173.760.4000112.2M125 I280 G374 L375 Q376M125-L372 HydrophobicContact CB-CD1 4.34Å; M125-L372 HydrophobicContact CE-CB 4.44Å; M125-L372 HydrophobicContact CE-CD1 3.5Å; M125-L372 HydrophobicContact CG-CD1 4.14Å; I280-L372 HydrophobicContact CB-CD1 4.06Å; I280-L372 HydrophobicContact CD1-CD1 4.17Å; I280-L372 HydrophobicContact CG1-CD1 4.46Å; L372-G374 PolarHBondContact O-N 3.01Å; L372-L375 PolarHBondContact O-N 2.94Å; L372-Q376 HydrophobicContact CD1-CG 3.93Å; L372-Q376 HydrophobicContact CG-CG 4.33Å; L372-Q376 WeakPolarHBondContact O-CB 3.18Å; L372-Q376 VanDerWaalsContact O-CG 3.31Å; L372-Q376 WeakPolarHBondContact O-CG 3.13Å; L372-Q376 PolarHBondContact O-N 2.97Å
373K98.8Very high98.8Very high179 Ų17951.8 Ų51.878%0.77825%0.249SC*.Hα-helixtrans-62.4-41.1179.7-68.6-175.1179.7-179.50112.4G371 A377G371-K373 VanDerWaalsContact C-N 3.29Å; G371-K373 PolarHBondContact O-N 3.16Å; K373-A377 WeakPolarHBondContact O-CB 3.49Å; K373-A377 PolarHBondContact O-N 3.04Å
374G98.8Very high98.8Very high28 Ų2854.7 Ų54.729%0.28927%0.273SS..Hα-helixtrans-66.6-42177.800000112.1Y370 G371 L372 A377 H378Y370-G374 WeakPolarHBondContact O-CA 3.22Å; Y370-G374 PolarHBondContact O-N 2.92Å; G371-G374 PolarHBondContact O-N 3.04Å; L372-G374 PolarHBondContact O-N 3.01Å; G374-A377 PolarHBondContact O-N 3.08Å; G374-H378 PolarHBondContact O-N 2.76Å
375L98.9Very high98.8Very high0 Ų051.5 Ų51.50%026%0.261CS..Hα-helixtrans-64.4-43.8175.6-63.7172.1000111.9M125 I280 L305 L306 V366 F367 Y370 G371 L372 A377 H378 I379M125-L375 HydrophobicContact CE-CD1 3.86Å; I280-L375 HydrophobicContact CD1-CB 3.57Å; L305-L375 HydrophobicContact CD1-CB 4.25Å; L305-L375 HydrophobicContact CD1-CD1 4.35Å; L305-L375 HydrophobicContact CD1-CD2 4.35Å; L306-L375 HydrophobicContact CD1-CD2 4.22Å; V366-L375 HydrophobicContact CG1-CD2 3.99Å; F367-L375 HydrophobicContact CD1-CD1 3.83Å; F367-L375 HydrophobicContact CE1-CD1 4.23Å; Y370-L375 HydrophobicContact CD2-CD2 4.34Å; Y370-L375 HydrophobicContact CG-CD2 4.19Å; G371-L375 WeakPolarHBondContact O-CG 3.32Å; G371-L375 PolarHBondContact O-N 3.48Å; G371-L375 VanDerWaalsContact O-N 3.14Å; L372-L375 PolarHBondContact O-N 2.94Å; L375-A377 PolarHBondContact O-N 3.44Å; L375-H378 WeakPolarHBondContact O-CB 3.41Å; L375-H378 PolarHBondContact O-N 3.28Å; L375-I379 WeakPolarHBondContact O-CG1 3.47Å; L375-I379 PolarHBondContact O-N 3.24Å; L375-I379 VanDerWaalsContact O-N 3.16Å
376Q98.9Very high98.8Very high24 Ų2449.5 Ų49.511%0.11225%0.253CS..Hα-helixtrans-61.5-42.8174.1-72.5173.2-18.700111.9I280 L372 H378 I379 R380I280-Q376 HydrophobicContact CD1-CG 4.1Å; I280-Q376 HydrophobicContact CG1-CG 4.03Å; I280-Q376 PolarHBondContact O-NE2 3.22Å; L372-Q376 HydrophobicContact CD1-CG 3.93Å; L372-Q376 HydrophobicContact CG-CG 4.33Å; L372-Q376 WeakPolarHBondContact O-CB 3.18Å; L372-Q376 VanDerWaalsContact O-CG 3.31Å; L372-Q376 WeakPolarHBondContact O-CG 3.13Å; L372-Q376 PolarHBondContact O-N 2.97Å; Q376-H378 VanDerWaalsContact C-N 3.32Å; Q376-H378 PolarHBondContact O-N 2.83Å; Q376-I379 PolarHBondContact O-N 3.31Å; Q376-R380 WeakPolarHBondContact O-CB 3.2Å; Q376-R380 VanDerWaalsContact O-CG 3.31Å; Q376-R380 WeakPolarHBondContact O-CG 3.29Å; Q376-R380 PolarHBondContact O-N 3.09Å
377A98.8Very high98.8Very high54 Ų5453.3 Ų53.345%0.44627%0.269SS..Hα-helixtrans-62.6-38.6177.200000112.1K373 G374 L375 K381K373-A377 WeakPolarHBondContact O-CB 3.49Å; K373-A377 PolarHBondContact O-N 3.04Å; G374-A377 PolarHBondContact O-N 3.08Å; L375-A377 PolarHBondContact O-N 3.44Å; A377-K381 WeakPolarHBondContact O-CB 3.4Å; A377-K381 PolarHBondContact O-N 2.74Å
378H98.8Very high98.8Very high24 Ų2454.9 Ų54.911%0.11128%0.277CS..Hα-helixtrans-58.9-51174171.564.9000111.5L306 G374 L375 Q376 R380 K381 Q382L306-H378 HydrophobicContact CD1-CB 4.22Å; L306-H378 WeakPolarHBondContact CD2-NE2 3.45Å; G374-H378 PolarHBondContact O-N 2.76Å; L375-H378 WeakPolarHBondContact O-CB 3.41Å; L375-H378 PolarHBondContact O-N 3.28Å; Q376-H378 VanDerWaalsContact C-N 3.32Å; Q376-H378 PolarHBondContact O-N 2.83Å; H378-R380 PolarHBondContact O-N 3.02Å; H378-K381 PolarHBondContact O-N 3.06Å; H378-Q382 VanDerWaalsContact O-CG 3.24Å; H378-Q382 WeakPolarHBondContact O-CG 3.26Å; H378-Q382 PolarHBondContact O-N 3.43Å; H378-Q382 VanDerWaalsContact O-N 3.08Å
379I98.8Very high98.8Very high0 Ų047.2 Ų47.20%025%0.248CC..Hα-helixtrans-60.8-48.3180-65.8175.9000110.7S277 A278 I280 F284 F304 L305 L375 Q376 K381 Q382 V383S277-I379 WeakPolarHBondContact O-CD1 3.38Å; A278-I379 HydrophobicContact CB-CG2 4.2Å; I280-I379 HydrophobicContact CD1-CD1 3.75Å; I280-I379 HydrophobicContact CG1-CD1 3.7Å; F284-I379 HydrophobicContact CD2-CG2 4.45Å; F284-I379 HydrophobicContact CE2-CG2 4.08Å; F304-I379 HydrophobicContact CE1-CG2 4.15Å; L305-I379 HydrophobicContact CD1-CD1 4.32Å; L375-I379 WeakPolarHBondContact O-CG1 3.47Å; L375-I379 PolarHBondContact O-N 3.24Å; L375-I379 VanDerWaalsContact O-N 3.16Å; Q376-I379 PolarHBondContact O-N 3.31Å; I379-K381 VanDerWaalsContact C-N 3.31Å; I379-K381 PolarHBondContact O-N 3.26Å; I379-Q382 PolarHBondContact O-N 3.48Å; I379-Q382 VanDerWaalsContact O-N 3.11Å; I379-V383 HydrophobicContact CG2-CG2 4.4Å; I379-V383 WeakPolarHBondContact O-CG2 3.44Å; I379-V383 PolarHBondContact O-N 3.24Å
380R98.9Very high98.8Very high96 Ų9642 Ų4236%0.36222%0.222SC..Hα-helixtrans-57.1-43177.6-72.5167.7176.3141.65.7112.4E283 Q376 H378 Q382 V383 A384E283-R380 IonicContact OE1-CZ 3.85Å; E283-R380 IonicContact OE1-NE 3.79Å; E283-R380 PolarHBondContact OE1-NE 3.35Å; E283-R380 IonicContact OE1-NH2 2.85Å; E283-R380 PolarHBondContact OE1-NH2 3.5Å; E283-R380 VanDerWaalsContact OE1-NH2 3.14Å; E283-R380 IonicContact OE2-CZ 3.01Å; E283-R380 IonicContact OE2-NE 3.97Å; E283-R380 IonicContact OE2-NH2 3.61Å; E283-R380 PolarHBondContact OE2-NH2 3.15Å; Q376-R380 WeakPolarHBondContact O-CB 3.2Å; Q376-R380 VanDerWaalsContact O-CG 3.31Å; Q376-R380 WeakPolarHBondContact O-CG 3.29Å; Q376-R380 PolarHBondContact O-N 3.09Å; H378-R380 PolarHBondContact O-N 3.02Å; R380-Q382 PolarHBondContact O-N 2.75Å; R380-V383 PolarHBondContact O-N 3.1Å; R380-A384 WeakPolarHBondContact O-CB 3.19Å; R380-A384 PolarHBondContact O-N 3.34Å
381K98.8Very high98.8Very high86 Ų8642.4 Ų42.437%0.37424%0.235SC..Hα-helixtrans-59.2-47175.5179.2-177173.4-170.60110.9A377 H378 I379 A384 L385 T456A377-K381 WeakPolarHBondContact O-CB 3.4Å; A377-K381 PolarHBondContact O-N 2.74Å; H378-K381 PolarHBondContact O-N 3.06Å; I379-K381 VanDerWaalsContact C-N 3.31Å; I379-K381 PolarHBondContact O-N 3.26Å; K381-A384 PolarHBondContact O-N 3.11Å; K381-L385 HydrophobicContact CG-CD1 4.3Å; K381-L385 WeakPolarHBondContact O-CG 3.46Å; K381-L385 PolarHBondContact O-N 2.86Å; K381-T456 WeakPolarHBondContact CE-O 3.34Å; K381-T456 PolarHBondContact NZ-O 3.27Å
382Q98.6Very high98.8Very high0 Ų042.7 Ų42.70%023%0.229CC..Hα-helixtrans-65.6-40.3-177.8-62.9-76.9-4800111.8F304 H378 I379 R380 L385 A386 I451 A453F304-Q382 HydrophobicContact CE2-CB 3.52Å; F304-Q382 HydrophobicContact CE2-CG 3.74Å; F304-Q382 HydrophobicContact CZ-CB 3.58Å; F304-Q382 HydrophobicContact CZ-CG 4.29Å; H378-Q382 VanDerWaalsContact O-CG 3.24Å; H378-Q382 WeakPolarHBondContact O-CG 3.26Å; H378-Q382 PolarHBondContact O-N 3.43Å; H378-Q382 VanDerWaalsContact O-N 3.08Å; I379-Q382 PolarHBondContact O-N 3.48Å; I379-Q382 VanDerWaalsContact O-N 3.11Å; R380-Q382 PolarHBondContact O-N 2.75Å; Q382-L385 PolarHBondContact O-N 2.82Å; Q382-A386 PolarHBondContact O-N 3.19Å; Q382-I451 PolarHBondContact OE1-O 3.29Å; Q382-A453 PolarHBondContact NE2-O 3.1Å; Q382-A453 VanDerWaalsContact NE2-O 3.1Å
383V98.9Very high98.8Very high13 Ų1339.4 Ų39.48%0.07921%0.212CC..Hα-helixtrans-65.5-41.5173.7176.60000111.4F284 I379 R380 L385 A386 K387 L407F284-V383 HydrophobicContact CE1-CG1 4.46Å; F284-V383 HydrophobicContact CE2-CG2 4.27Å; F284-V383 HydrophobicContact CZ-CB 4.27Å; F284-V383 HydrophobicContact CZ-CG1 4.02Å; F284-V383 HydrophobicContact CZ-CG2 3.92Å; I379-V383 HydrophobicContact CG2-CG2 4.4Å; I379-V383 WeakPolarHBondContact O-CG2 3.44Å; I379-V383 PolarHBondContact O-N 3.24Å; R380-V383 PolarHBondContact O-N 3.1Å; V383-L385 VanDerWaalsContact C-N 3.32Å; V383-L385 PolarHBondContact O-N 3.44Å; V383-A386 PolarHBondContact O-N 3.29Å; V383-K387 PolarHBondContact O-N 3.33Å; V383-L407 HydrophobicContact CG2-CB 4.4Å; V383-L407 HydrophobicContact CG2-CD2 4.07Å
384A98.9Very high98.8Very high60 Ų6037.9 Ų37.950%0.49620%0.201SC..Hα-helixtrans-60.8-39.6176.400000112.4R380 K381 K387 E388R380-A384 WeakPolarHBondContact O-CB 3.19Å; R380-A384 PolarHBondContact O-N 3.34Å; K381-A384 PolarHBondContact O-N 3.11Å; A384-K387 PolarHBondContact O-N 3.49Å; A384-E388 PolarHBondContact O-N 3.42Å
385L98.9Very high98.8Very high11 Ų1140.6 Ų40.66%0.05822%0.221CC..Hα-helixtrans-65.5-36.5175.3-67.8170.5000112.5K381 Q382 V383 E388 F389 I451 T456 I461K381-L385 HydrophobicContact CG-CD1 4.3Å; K381-L385 WeakPolarHBondContact O-CG 3.46Å; K381-L385 PolarHBondContact O-N 2.86Å; Q382-L385 PolarHBondContact O-N 2.82Å; V383-L385 VanDerWaalsContact C-N 3.32Å; V383-L385 PolarHBondContact O-N 3.44Å; L385-E388 WeakPolarHBondContact O-CB 3.36Å; L385-E388 PolarHBondContact O-N 3.11Å; L385-F389 PolarHBondContact O-N 3.09Å; L385-I451 HydrophobicContact CB-CD1 4.42Å; L385-I451 HydrophobicContact CB-CG1 4.24Å; L385-I451 HydrophobicContact CB-CG2 4.18Å; L385-I451 HydrophobicContact CD1-CG2 4.06Å; L385-T456 HydrophobicContact CD1-CG2 4.06Å; L385-I461 HydrophobicContact CB-CD1 4.18Å; L385-I461 HydrophobicContact CB-CG1 4.12Å; L385-I461 HydrophobicContact CD2-CG1 3.84Å; L385-I461 HydrophobicContact CG-CG1 4.49Å
386A98.9Very high98.8Very high0 Ų042 Ų420%023%0.228CC..Hα-helixtrans-66.6-39.1172.600000112Q382 V383 E388 F389 E390 V405 L407 V410 I451Q382-A386 PolarHBondContact O-N 3.19Å; V383-A386 PolarHBondContact O-N 3.29Å; A386-E388 VanDerWaalsContact C-N 3.34Å; A386-F389 PolarHBondContact O-N 2.95Å; A386-E390 WeakPolarHBondContact O-CB 3.49Å; A386-E390 PolarHBondContact O-N 3.19Å; A386-V405 HydrophobicContact CB-CG1 4.42Å; A386-L407 VanDerWaalsContact CB-O 3.29Å; A386-L407 WeakPolarHBondContact CB-O 3.34Å; A386-V410 HydrophobicContact CB-CG2 4.14Å; A386-V410 WeakPolarHBondContact O-CG2 3.16Å; A386-I451 HydrophobicContact CB-CD1 4.46Å; A386-I451 HydrophobicContact CB-CG1 3.85Å
387K98.9Very high98.8Very high79 Ų7949.5 Ų49.534%0.34326%0.26SS..Hα-helixtrans-66.1-34173.9-71.2-54.9-162.7176.90113.2V383 A384 E390 S391 V405V383-K387 PolarHBondContact O-N 3.33Å; A384-K387 PolarHBondContact O-N 3.49Å; K387-E390 WeakPolarHBondContact CD-OE2 2.92Å; K387-E390 IonicContact NZ-OE2 2.7Å; K387-E390 PolarHBondContact NZ-OE2 3.3Å; K387-S391 PolarHBondContact O-N 3Å; K387-S391 PolarHBondContact O-OG 3.11Å; K387-V405 HydrophobicContact CD-CG1 4.12Å; K387-V405 VanDerWaalsContact CE-O 3.26Å; K387-V405 WeakPolarHBondContact CE-O 3.47Å; K387-V405 PolarHBondContact NZ-O 2.94Å
388E98.9Very high98.8Very high45 Ų4550.4 Ų50.421%0.2125%0.252CS..Hα-helixtrans-61.9-50.5170.2-176.9-177.9166.100110.6A384 L385 A386 E390 S391 L392 S458 I461 Q462A384-E388 PolarHBondContact O-N 3.42Å; L385-E388 WeakPolarHBondContact O-CB 3.36Å; L385-E388 PolarHBondContact O-N 3.11Å; A386-E388 VanDerWaalsContact C-N 3.34Å; E388-E390 PolarHBondContact O-N 3.37Å; E388-S391 WeakPolarHBondContact O-CB 3.42Å; E388-S391 PolarHBondContact O-N 3.47Å; E388-S391 VanDerWaalsContact O-N 3.17Å; E388-L392 WeakPolarHBondContact O-CG 3.31Å; E388-L392 PolarHBondContact O-N 3.4Å; E388-L392 VanDerWaalsContact O-N 3.07Å; E388-S458 VanDerWaalsContact CD-OG 3.3Å; E388-S458 WeakPolarHBondContact OE1-CB 3.5Å; E388-S458 PolarHBondContact OE1-OG 3.19Å; E388-S458 VanDerWaalsContact OE2-CB 3.25Å; E388-S458 WeakPolarHBondContact OE2-CB 3.1Å; E388-S458 PolarHBondContact OE2-OG 3.14Å; E388-I461 HydrophobicContact CG-CG2 4.33Å; E388-Q462 PolarHBondContact OE1-NE2 3.2Å
389F98.9Very high98.8Very high0 Ų049.6 Ų49.60%025%0.249CC..Hα-helixtrans-60.8-42.4176.5-172.5-99.4000112.4L385 A386 S391 L392 V393 V410 F412 F449 I461 W465 I468L385-F389 PolarHBondContact O-N 3.09Å; A386-F389 PolarHBondContact O-N 2.95Å; F389-S391 VanDerWaalsContact C-N 3.28Å; F389-S391 PolarHBondContact O-N 3.28Å; F389-L392 WeakPolarHBondContact O-CB 3.47Å; F389-L392 PolarHBondContact O-N 2.84Å; F389-V393 HydrophobicContact CD1-CG2 3.9Å; F389-V393 HydrophobicContact CE1-CG2 3.51Å; F389-V393 HydrophobicContact CZ-CG2 3.86Å; F389-V393 WeakPolarHBondContact O-CG2 3.19Å; F389-V393 PolarHBondContact O-N 3.26Å; F389-V410 HydrophobicContact CD1-CB 3.72Å; F389-V410 HydrophobicContact CD1-CG1 3.8Å; F389-V410 HydrophobicContact CD1-CG2 3.87Å; F389-V410 HydrophobicContact CE1-CB 4.14Å; F389-V410 HydrophobicContact CE1-CG1 4.06Å; F389-F412 AromaticContact CE1-CD1 3.9Å; F389-F412 HydrophobicContact CE1-CD1 3.9Å; F389-F412 AromaticContact CE1-CE1 3.94Å; F389-F412 HydrophobicContact CE1-CE1 3.94Å; F389-F412 HydrophobicContact CE1-CG 4.37Å; F389-F412 HydrophobicContact CE1-CZ 4.43Å; F389-F412 HydrophobicContact CZ-CD1 4.31Å; F389-F412 AromaticContact CZ-CE1 3.95Å; F389-F412 HydrophobicContact CZ-CE1 3.95Å; F389-F412 HydrophobicContact CZ-CE2 4.45Å; F389-F412 HydrophobicContact CZ-CZ 4.02Å; F389-F449 HydrophobicContact CB-CD1 4.26Å; F389-F449 HydrophobicContact CB-CE1 4.15Å; F389-F449 HydrophobicContact CD1-CB 4.09Å; F389-F449 AromaticContact CD1-CD1 3.64Å; F389-F449 HydrophobicContact CD1-CD1 3.64Å; F389-F449 HydrophobicContact CD1-CE1 4.21Å; F389-F449 AromaticContact CD1-CG 3.91Å; F389-F449 HydrophobicContact CD1-CG 3.91Å; F389-F449 AromaticContact CD2-CD1 3.91Å; F389-F449 HydrophobicContact CD2-CD1 3.91Å; F389-F449 HydrophobicContact CD2-CD2 4.43Å; F389-F449 AromaticContact CD2-CE1 3.65Å; F389-F449 HydrophobicContact CD2-CE1 3.65Å; F389-F449 HydrophobicContact CD2-CE2 4.21Å; F389-F449 HydrophobicContact CD2-CG 4.29Å; F389-F449 AromaticContact CD2-CZ 3.81Å; F389-F449 HydrophobicContact CD2-CZ 3.81Å; F389-F449 HydrophobicContact CE1-CB 3.61Å; F389-F449 AromaticContact CE1-CD1 3.88Å; F389-F449 HydrophobicContact CE1-CD1 3.88Å; F389-F449 HydrophobicContact CE1-CD2 4.15Å; F389-F449 AromaticContact CE1-CG 3.62Å; F389-F449 HydrophobicContact CE1-CG 3.62Å; F389-F449 HydrophobicContact CE2-CD1 4.12Å; F389-F449 AromaticContact CE2-CD2 3.86Å; F389-F449 HydrophobicContact CE2-CD2 3.86Å; F389-F449 HydrophobicContact CE2-CE1 4.05Å; F389-F449 AromaticContact CE2-CE2 3.8Å; F389-F449 HydrophobicContact CE2-CE2 3.8Å; F389-F449 HydrophobicContact CE2-CG 4.02Å; F389-F449 AromaticContact CE2-CZ 3.89Å; F389-F449 HydrophobicContact CE2-CZ 3.89Å; F389-F449 AromaticContact CG-CD1 3.66Å; F389-F449 HydrophobicContact CG-CD1 3.66Å; F389-F449 AromaticContact CG-CE1 3.73Å; F389-F449 HydrophobicContact CG-CE1 3.73Å; F389-F449 HydrophobicContact CG-CG 4.23Å; F389-F449 HydrophobicContact CG-CZ 4.36Å; F389-F449 HydrophobicContact CZ-CB 4.01Å; F389-F449 HydrophobicContact CZ-CD1 4.11Å; F389-F449 AromaticContact CZ-CD2 3.71Å; F389-F449 HydrophobicContact CZ-CD2 3.71Å; F389-F449 HydrophobicContact CZ-CE1 4.5Å; F389-F449 HydrophobicContact CZ-CE2 4.14Å; F389-F449 AromaticContact CZ-CG 3.68Å; F389-F449 HydrophobicContact CZ-CG 3.68Å; F389-I461 HydrophobicContact CB-CG2 3.71Å; F389-I461 HydrophobicContact CD2-CG2 3.96Å; F389-I461 HydrophobicContact CG-CG2 4.33Å; F389-W465 HydrophobicContact CD2-CB 4.45Å; F389-W465 HydrophobicContact CE2-CB 4.22Å; F389-W465 HydrophobicContact CE2-CD2 4.42Å; F389-W465 AromaticContact CE2-CE3 3.73Å; F389-W465 HydrophobicContact CE2-CE3 3.73Å; F389-W465 AromaticContact CZ-CE3 3.91Å; F389-W465 HydrophobicContact CZ-CE3 3.91Å; F389-W465 HydrophobicContact CZ-CZ3 4.28Å; F389-I468 HydrophobicContact CE2-CD1 4.18Å; F389-I468 HydrophobicContact CZ-CD1 4.13Å
390E98.9Very high98.8Very high20 Ų2052 Ų529%0.09326%0.26CS..Hα-helixtrans-54.6-46.2173.9-178.9-174.3-171.100111.3A386 K387 E388 L392 V393 R394 I401 V405 V410A386-E390 WeakPolarHBondContact O-CB 3.49Å; A386-E390 PolarHBondContact O-N 3.19Å; K387-E390 WeakPolarHBondContact CD-OE2 2.92Å; K387-E390 IonicContact NZ-OE2 2.7Å; K387-E390 PolarHBondContact NZ-OE2 3.3Å; E388-E390 PolarHBondContact O-N 3.37Å; E390-L392 VanDerWaalsContact C-N 3.34Å; E390-L392 PolarHBondContact O-N 3.2Å; E390-V393 PolarHBondContact O-N 3.32Å; E390-R394 HydrophobicContact CG-CG 4.48Å; E390-R394 WeakPolarHBondContact O-CG 3.15Å; E390-R394 PolarHBondContact O-N 3.16Å; E390-R394 IonicContact OE1-CZ 2.91Å; E390-R394 VanDerWaalsContact OE1-CZ 3.27Å; E390-R394 IonicContact OE1-NE 3.77Å; E390-R394 PolarHBondContact OE1-NE 2.94Å; E390-R394 IonicContact OE1-NH2 3.82Å; E390-R394 PolarHBondContact OE1-NH2 3.21Å; E390-I401 HydrophobicContact CG-CD1 4.21Å; E390-I401 HydrophobicContact CG-CG1 4.45Å; E390-V405 HydrophobicContact CB-CG1 4.41Å; E390-V405 HydrophobicContact CB-CG2 4.12Å; E390-V405 HydrophobicContact CG-CB 4.31Å; E390-V405 HydrophobicContact CG-CG2 3.82Å; E390-V405 WeakPolarHBondContact OE2-CB 2.94Å; E390-V410 HydrophobicContact CB-CG2 4.43Å
391S98.9Very high98.7Very high75 Ų7548.9 Ų48.952%0.52425%0.25SC..Hα-helixtrans-63.2-40.8-179.8-58.40000111.8K387 E388 F389 R394 A395K387-S391 PolarHBondContact O-N 3Å; K387-S391 PolarHBondContact O-OG 3.11Å; E388-S391 WeakPolarHBondContact O-CB 3.42Å; E388-S391 PolarHBondContact O-N 3.47Å; E388-S391 VanDerWaalsContact O-N 3.17Å; F389-S391 VanDerWaalsContact C-N 3.28Å; F389-S391 PolarHBondContact O-N 3.28Å; S391-R394 PolarHBondContact O-N 3.38Å; S391-A395 PolarHBondContact O-N 2.91Å; S391-A395 VanDerWaalsContact O-N 3.1Å
392L98.9Very high98.7Very high33 Ų3345.6 Ų45.617%0.17324%0.238CC..Hα-helixtrans-62.3-45.4175.4-70.5172.7000112.1E388 F389 E390 A395 I461 W465E388-L392 WeakPolarHBondContact O-CG 3.31Å; E388-L392 PolarHBondContact O-N 3.4Å; E388-L392 VanDerWaalsContact O-N 3.07Å; F389-L392 WeakPolarHBondContact O-CB 3.47Å; F389-L392 PolarHBondContact O-N 2.84Å; E390-L392 VanDerWaalsContact C-N 3.34Å; E390-L392 PolarHBondContact O-N 3.2Å; L392-A395 PolarHBondContact O-N 3.13Å; L392-I461 HydrophobicContact CD1-CG2 4.11Å; L392-W465 HydrophobicContact CB-CD2 4.15Å; L392-W465 HydrophobicContact CB-CG 3.88Å; L392-W465 HydrophobicContact CD1-CB 3.86Å; L392-W465 HydrophobicContact CD1-CG 3.97Å; L392-W465 HydrophobicContact CG-CG 4.42Å; L392-W465 WeakPolarHBondContact O-CZ2 3.29Å
393V98.9Very high98.7Very high0 Ų046.4 Ų46.40%025%0.245CC..Hα-helixtrans-63.6-44.1177.6174.70000111.1F389 E390 A395 D396 F399 I401 F412 W465F389-V393 HydrophobicContact CD1-CG2 3.9Å; F389-V393 HydrophobicContact CE1-CG2 3.51Å; F389-V393 HydrophobicContact CZ-CG2 3.86Å; F389-V393 WeakPolarHBondContact O-CG2 3.19Å; F389-V393 PolarHBondContact O-N 3.26Å; E390-V393 PolarHBondContact O-N 3.32Å; V393-A395 VanDerWaalsContact C-N 3.27Å; V393-A395 PolarHBondContact O-N 2.82Å; V393-D396 PolarHBondContact O-N 3.19Å; V393-F399 HydrophobicContact CG1-CB 3.89Å; V393-I401 HydrophobicContact CB-CD1 3.89Å; V393-I401 HydrophobicContact CG1-CD1 3.58Å; V393-I401 HydrophobicContact CG1-CG1 4.11Å; V393-F412 HydrophobicContact CG1-CB 3.9Å; V393-F412 HydrophobicContact CG1-CD2 4.44Å; V393-F412 HydrophobicContact CG1-CG 4.49Å; V393-F412 HydrophobicContact CG2-CB 4.42Å; V393-F412 HydrophobicContact CG2-CD2 4.31Å; V393-F412 HydrophobicContact CG2-CG 4.33Å; V393-W465 HydrophobicContact CB-CH2 4.19Å; V393-W465 HydrophobicContact CB-CZ3 4.47Å; V393-W465 HydrophobicContact CG1-CH2 4.46Å; V393-W465 HydrophobicContact CG2-CE3 4.08Å; V393-W465 HydrophobicContact CG2-CH2 3.81Å; V393-W465 HydrophobicContact CG2-CZ2 4.46Å; V393-W465 HydrophobicContact CG2-CZ3 3.6Å
394R98.6Very high98.6Very high148 Ų14852.3 Ų52.356%0.55827%0.271SS*.Hα-helixtrans-65.5-29.3179.8-72.3-178-175.6-72.30.2113.1E390 S391 D396 I401E390-R394 HydrophobicContact CG-CG 4.48Å; E390-R394 WeakPolarHBondContact O-CG 3.15Å; E390-R394 PolarHBondContact O-N 3.16Å; E390-R394 IonicContact OE1-CZ 2.91Å; E390-R394 VanDerWaalsContact OE1-CZ 3.27Å; E390-R394 IonicContact OE1-NE 3.77Å; E390-R394 PolarHBondContact OE1-NE 2.94Å; E390-R394 IonicContact OE1-NH2 3.82Å; E390-R394 PolarHBondContact OE1-NH2 3.21Å; S391-R394 PolarHBondContact O-N 3.38Å; R394-D396 VanDerWaalsContact C-N 3.29Å; R394-I401 HydrophobicContact CG-CG1 3.85Å
395A98.7Very high98.6Very high84 Ų8449.5 Ų49.569%0.69425%0.248SC*.Hα-helixtrans-70.2-25.9177.300000112.8S391 L392 V393S391-A395 PolarHBondContact O-N 2.91Å; S391-A395 VanDerWaalsContact O-N 3.1Å; L392-A395 PolarHBondContact O-N 3.13Å; V393-A395 VanDerWaalsContact C-N 3.27Å; V393-A395 PolarHBondContact O-N 2.82Å
396D98.7Very high98.5Very high29 Ų2950.5 Ų50.516%0.15525%0.254CS..  trans-92.9109.9178.7-168.4-30.9000111.8V393 R394 R398 F399 W465V393-D396 PolarHBondContact O-N 3.19Å; R394-D396 VanDerWaalsContact C-N 3.29Å; D396-R398 PolarHBondContact O-N 3.46Å; D396-R398 VanDerWaalsContact OD1-CB 3.23Å; D396-R398 WeakPolarHBondContact OD1-CB 3.39Å; D396-R398 VanDerWaalsContact OD1-CG 3.27Å; D396-R398 WeakPolarHBondContact OD1-CG 3.19Å; D396-R398 IonicContact OD1-CZ 3.23Å; D396-R398 PolarHBondContact OD1-N 3.49Å; D396-R398 IonicContact OD1-NE 3.66Å; D396-R398 PolarHBondContact OD1-NE 3.34Å; D396-R398 IonicContact OD2-CZ 3.43Å; D396-R398 VanDerWaalsContact OD2-CZ 3.27Å; D396-R398 IonicContact OD2-NE 2.83Å; D396-R398 PolarHBondContact OD2-NE 3.44Å; D396-R398 VanDerWaalsContact OD2-NE 3.07Å; D396-R398 IonicContact OD2-NH2 2.68Å; D396-R398 PolarHBondContact OD2-NH2 2.69Å; D396-F399 HydrophobicContact CB-CD2 3.99Å; D396-F399 PolarHBondContact O-N 3.26Å; D396-W465 HydrophobicContact CB-CH2 4.44Å; D396-W465 HydrophobicContact CB-CZ2 3.76Å
397K98.1Very high98.5Very high182 Ų18250.5 Ų50.579%0.79125%0.254SS*.THydrogen-bonded Turntrans-62.2-17.8-176.2-65.4-177.2179.8177.60114.3F399 K415K397-F399 VanDerWaalsContact C-N 3.28Å; K397-K415 PolarHBondContact O-NZ 3.34Å
398R98.4Very high98.5Very high74 Ų7446.8 Ų46.828%0.27924%0.238SC..THydrogen-bonded Turntrans-71.1-25.5176.7-58.1176.2-67.3170.6-0.9112D396 L414 K415 T469D396-R398 PolarHBondContact O-N 3.46Å; D396-R398 VanDerWaalsContact OD1-CB 3.23Å; D396-R398 WeakPolarHBondContact OD1-CB 3.39Å; D396-R398 VanDerWaalsContact OD1-CG 3.27Å; D396-R398 WeakPolarHBondContact OD1-CG 3.19Å; D396-R398 IonicContact OD1-CZ 3.23Å; D396-R398 PolarHBondContact OD1-N 3.49Å; D396-R398 IonicContact OD1-NE 3.66Å; D396-R398 PolarHBondContact OD1-NE 3.34Å; D396-R398 IonicContact OD2-CZ 3.43Å; D396-R398 VanDerWaalsContact OD2-CZ 3.27Å; D396-R398 IonicContact OD2-NE 2.83Å; D396-R398 PolarHBondContact OD2-NE 3.44Å; D396-R398 VanDerWaalsContact OD2-NE 3.07Å; D396-R398 IonicContact OD2-NH2 2.68Å; D396-R398 PolarHBondContact OD2-NH2 2.69Å; R398-L414 HydrophobicContact CB-CD2 3.96Å; R398-K415 PolarHBondContact O-N 3.12Å; R398-T469 PolarHBondContact NH1-O 2.75Å; R398-T469 PolarHBondContact NH2-O 2.7Å
399F98.8Very high98.5Very high7 Ų744.8 Ų44.83%0.03123%0.229CC..EExtended strand (participates in β ladder)trans-104.4167.3-176.6-66-95.8000112.3V393 D396 K397 F412 R413 L414 K415 L424 W465 I468 T469 A472V393-F399 HydrophobicContact CG1-CB 3.89Å; D396-F399 HydrophobicContact CB-CD2 3.99Å; D396-F399 PolarHBondContact O-N 3.26Å; K397-F399 VanDerWaalsContact C-N 3.28Å; F399-F412 AromaticContact CD1-CD2 3.81Å; F399-F412 HydrophobicContact CD1-CD2 3.81Å; F399-F412 HydrophobicContact CD1-CE2 4.13Å; F399-F412 HydrophobicContact CE1-CD2 4.17Å; F399-F412 HydrophobicContact CE1-CE2 4.01Å; F399-R413 CarbonylContact C-O 3.49Å; F399-R413 VanDerWaalsContact CA-O 3.27Å; F399-R413 WeakPolarHBondContact CA-O 3.35Å; F399-L414 HydrophobicContact CD1-CD2 3.8Å; F399-L414 HydrophobicContact CD1-CG 4.02Å; F399-L414 HydrophobicContact CD2-CD2 3.94Å; F399-L414 HydrophobicContact CE1-CD2 3.52Å; F399-L414 HydrophobicContact CE1-CG 3.62Å; F399-L414 HydrophobicContact CE2-CD2 3.66Å; F399-L414 HydrophobicContact CG-CD2 4.03Å; F399-L414 HydrophobicContact CZ-CD2 3.46Å; F399-L414 VanDerWaalsContact CZ-CD2 3.46Å; F399-L414 HydrophobicContact CZ-CG 3.98Å; F399-K415 VanDerWaalsContact O-CE 3.29Å; F399-K415 WeakPolarHBondContact O-CE 3.16Å; F399-L424 HydrophobicContact CE1-CD2 4.04Å; F399-W465 HydrophobicContact CB-CH2 4.46Å; F399-W465 HydrophobicContact CD1-CH2 4.21Å; F399-W465 AromaticContact CD2-CH2 3.62Å; F399-W465 HydrophobicContact CD2-CH2 3.62Å; F399-W465 HydrophobicContact CD2-CZ2 4.26Å; F399-W465 HydrophobicContact CE1-CH2 4.31Å; F399-W465 HydrophobicContact CE1-CZ3 4.43Å; F399-W465 AromaticContact CE2-CH2 3.74Å; F399-W465 HydrophobicContact CE2-CH2 3.74Å; F399-W465 HydrophobicContact CE2-CZ2 4.37Å; F399-W465 HydrophobicContact CE2-CZ3 4.46Å; F399-W465 AromaticContact CG-CH2 3.86Å; F399-W465 HydrophobicContact CG-CH2 3.86Å; F399-W465 HydrophobicContact CZ-CH2 4.07Å; F399-W465 HydrophobicContact CZ-CZ3 4.37Å; F399-I468 HydrophobicContact CE1-CG2 4.23Å; F399-I468 HydrophobicContact CZ-CG2 4.11Å; F399-T469 HydrophobicContact CE2-CG2 4.22Å; F399-A472 HydrophobicContact CE2-CB 4.19Å; F399-A472 HydrophobicContact CZ-CB 3.61Å
400E98.5Very high98.5Very high50 Ų5044.8 Ų44.823%0.23423%0.229CC..EExtended strand (participates in β ladder)trans-144144.617460.5-172.9157.100110.5F412 R413 K415 R444E400-F412 VanDerWaalsContact O-CA 3.31Å; E400-F412 WeakPolarHBondContact O-CA 3.48Å; E400-R413 HydrophobicContact CG-CG 3.56Å; E400-R413 PolarHBondContact N-O 3.02Å; E400-R413 PolarHBondContact O-N 3.49Å; E400-R413 VanDerWaalsContact O-N 3.08Å; E400-R413 WeakPolarHBondContact OE1-CD 3.48Å; E400-R413 WeakPolarHBondContact OE1-CG 3.38Å; E400-R413 IonicContact OE1-CZ 2.91Å; E400-R413 IonicContact OE1-NH1 2.84Å; E400-R413 PolarHBondContact OE1-NH1 2.7Å; E400-K415 HydrophobicContact CB-CG 4.16Å; E400-K415 HydrophobicContact CG-CG 4.11Å; E400-R444 IonicContact OE1-CZ 3.8Å; E400-R444 IonicContact OE1-NH2 3.77Å; E400-R444 PolarHBondContact OE1-NH2 3.1Å; E400-R444 IonicContact OE2-NH2 2.69Å; E400-R444 PolarHBondContact OE2-NH2 2.83Å
401I98.6Very high98.5Very high30 Ų3044 Ų4415%0.15423%0.225CC..EExtended strand (participates in β ladder)trans-83.7130.1170.5-64.2-68.2000108.1E390 V393 R394 A403 V405 V410 F412E390-I401 HydrophobicContact CG-CD1 4.21Å; E390-I401 HydrophobicContact CG-CG1 4.45Å; V393-I401 HydrophobicContact CB-CD1 3.89Å; V393-I401 HydrophobicContact CG1-CD1 3.58Å; V393-I401 HydrophobicContact CG1-CG1 4.11Å; R394-I401 HydrophobicContact CG-CG1 3.85Å; I401-A403 WeakPolarHBondContact CG2-O 3.29Å; I401-V405 HydrophobicContact CG2-CG2 4.35Å; I401-V410 HydrophobicContact CD1-CG1 3.57Å; I401-F412 HydrophobicContact CD1-CB 4.32Å
402C98.2Very high98.5Very high18 Ų1840.4 Ų40.412%0.12220%0.2CC..  trans-100.2-13.9-171-62.20000114.2C411 R413 L441 V446C402-C411 HydrophobicContact CB-CB 4.28Å; C402-C411 PolarHBondContact N-O 2.85Å; C402-R413 WeakPolarHBondContact SG-CD 3.2Å; C402-R413 WeakPolarHBondContact SG-CG 3.11Å; C402-L441 HydrophobicContact CB-CD1 4.26Å; C402-V446 HydrophobicContact CB-CG1 3.83Å; C402-V446 HydrophobicContact CB-CG2 3.96Å
403A97.8Very high98.5Very high17 Ų1739.3 Ų39.314%0.1419%0.194CC..SBendtrans-153.4159.3177.100000109.6Y215 I401 V405 C411 L441Y215-A403 HydrophobicContact CD2-CB 4.45Å; Y215-A403 HydrophobicContact CE2-CB 4.43Å; I401-A403 WeakPolarHBondContact CG2-O 3.29Å; A403-V405 PolarHBondContact O-N 2.87Å; A403-C411 HydrophobicContact CB-CB 4.18Å; A403-L441 HydrophobicContact CB-CD1 4.35Å
404E97.5Very high98.4Very high136 Ų13639.4 Ų39.464%0.63620%0.195SC*.  trans-61.2132.4176.5-173.6177.2-179.500111.5V406E404-V406 HydrophobicContact CB-CG2 4.42Å; E404-V406 HydrophobicContact CG-CG2 3.98Å; E404-V406 PolarHBondContact O-N 3.03Å
405V98.4Very high98.4Very high2 Ų237.8 Ų37.81%0.01219%0.191CC..  trans-88.595.9177.6-179.90000108.7A386 K387 E390 I401 A403 V410A386-V405 HydrophobicContact CB-CG1 4.42Å; K387-V405 HydrophobicContact CD-CG1 4.12Å; K387-V405 VanDerWaalsContact CE-O 3.26Å; K387-V405 WeakPolarHBondContact CE-O 3.47Å; K387-V405 PolarHBondContact NZ-O 2.94Å; E390-V405 HydrophobicContact CB-CG1 4.41Å; E390-V405 HydrophobicContact CB-CG2 4.12Å; E390-V405 HydrophobicContact CG-CB 4.31Å; E390-V405 HydrophobicContact CG-CG2 3.82Å; E390-V405 WeakPolarHBondContact OE2-CB 2.94Å; I401-V405 HydrophobicContact CG2-CG2 4.35Å; A403-V405 PolarHBondContact O-N 2.87Å; V405-V410 HydrophobicContact CG1-CG2 3.83Å; V405-V410 HydrophobicContact CG2-CB 4.29Å; V405-V410 HydrophobicContact CG2-CG1 3.97Å; V405-V410 HydrophobicContact CG2-CG2 3.98Å
406V97.3Very high98.3Very high31 Ų3136.2 Ų36.219%0.18818%0.183CC..  trans-92.5-44.8-178.4-1750000112F251 L287 E404F251-V406 HydrophobicContact CD2-CG2 4.43Å; F251-V406 HydrophobicContact CE2-CB 3.81Å; F251-V406 HydrophobicContact CE2-CG1 3.69Å; F251-V406 HydrophobicContact CE2-CG2 3.97Å; F251-V406 HydrophobicContact CZ-CG1 4.11Å; L287-V406 HydrophobicContact CD1-CG1 3.68Å; L287-V406 HydrophobicContact CD2-CG1 4.45Å; E404-V406 HydrophobicContact CB-CG2 4.42Å; E404-V406 HydrophobicContact CG-CG2 3.98Å; E404-V406 PolarHBondContact O-N 3.03Å
407L98.6Very high98.2Very high1 Ų137.3 Ų37.31%0.00519%0.194CC..SBendtrans-123.3-137.9-175.8-63179.1000111.1F251 Y274 A275 A278 F284 V383 A386 L409F251-L407 HydrophobicContact CZ-CD1 4.02Å; F251-L407 HydrophobicContact CZ-CG 4.42Å; Y274-L407 HydrophobicContact CE1-CB 4.12Å; Y274-L407 HydrophobicContact CE1-CD1 4.23Å; A275-L407 HydrophobicContact CB-CD1 3.55Å; A278-L407 HydrophobicContact CB-CD1 3.91Å; A278-L407 HydrophobicContact CB-CD2 3.74Å; F284-L407 HydrophobicContact CD1-CD2 3.79Å; F284-L407 HydrophobicContact CD2-CD2 4.26Å; F284-L407 HydrophobicContact CE1-CD2 3.84Å; F284-L407 HydrophobicContact CE2-CD2 4.34Å; F284-L407 HydrophobicContact CG-CD2 4.03Å; F284-L407 HydrophobicContact CZ-CD2 4.15Å; V383-L407 HydrophobicContact CG2-CB 4.4Å; V383-L407 HydrophobicContact CG2-CD2 4.07Å; A386-L407 VanDerWaalsContact CB-O 3.29Å; A386-L407 WeakPolarHBondContact CB-O 3.34Å; L407-L409 VanDerWaalsContact C-N 3.29Å; L407-L409 PolarHBondContact O-N 3.48Å
408G98.4Very high98.2Very high0 Ų030.8 Ų30.80%017%0.167CC..SBendtrans-85.519.1-175.600000115.2Y274 A450 I451Y274-G408 WeakPolarHBondContact OH-CA 3.47Å; Y274-G408 PolarHBondContact OH-N 3.12Å; Y274-G408 VanDerWaalsContact OH-N 3.1Å; G408-A450 CarbonylContact O-C 3.57Å; G408-A450 WeakPolarHBondContact O-CA 3.44Å; G408-I451 PolarHBondContact O-N 3.19Å
409L98.8Very high98.2Very high3 Ų332.5 Ų32.52%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-121.6129.1179.8174.765000110.7F80 C249 L407 R448 A450F80-L409 HydrophobicContact CE1-CB 4.15Å; F80-L409 HydrophobicContact CE1-CD2 4.01Å; F80-L409 HydrophobicContact CZ-CD2 4.09Å; C249-L409 HydrophobicContact CB-CB 4.15Å; C249-L409 HydrophobicContact CB-CD2 3.79Å; C249-L409 HydrophobicContact CB-CG 4.5Å; L407-L409 VanDerWaalsContact C-N 3.29Å; L407-L409 PolarHBondContact O-N 3.48Å; L409-R448 HydrophobicContact CD1-CB 3.87Å; L409-R448 HydrophobicContact CD1-CG 4.32Å; L409-A450 HydrophobicContact CD1-CB 4.05Å
410V98.9Very high98.2Very high0 Ų032.5 Ų32.50%018%0.179CC..EExtended strand (participates in β ladder)trans-115.8123.6170.5-174.30000109.9A386 F389 E390 I401 V405 F449A386-V410 HydrophobicContact CB-CG2 4.14Å; A386-V410 WeakPolarHBondContact O-CG2 3.16Å; F389-V410 HydrophobicContact CD1-CB 3.72Å; F389-V410 HydrophobicContact CD1-CG1 3.8Å; F389-V410 HydrophobicContact CD1-CG2 3.87Å; F389-V410 HydrophobicContact CE1-CB 4.14Å; F389-V410 HydrophobicContact CE1-CG1 4.06Å; E390-V410 HydrophobicContact CB-CG2 4.43Å; I401-V410 HydrophobicContact CD1-CG1 3.57Å; V405-V410 HydrophobicContact CG1-CG2 3.83Å; V405-V410 HydrophobicContact CG2-CB 4.29Å; V405-V410 HydrophobicContact CG2-CG1 3.97Å; V405-V410 HydrophobicContact CG2-CG2 3.98Å; V410-F449 HydrophobicContact CB-CB 4.45Å; V410-F449 PolarHBondContact N-O 3.19Å; V410-F449 PolarHBondContact O-N 3.03Å
411C98.9Very high98.2Very high3 Ų330.1 Ų30.12%0.0217%0.168CC..EExtended strand (participates in β ladder)trans-101.2117.1174.3-74.20000109.3P247 C402 A403 L441 V446 L447P247-C411 PolarHBondContact O-SG 3.39Å; P247-C411 VanDerWaalsContact O-SG 3.35Å; C402-C411 HydrophobicContact CB-CB 4.28Å; C402-C411 PolarHBondContact N-O 2.85Å; A403-C411 HydrophobicContact CB-CB 4.18Å; C411-L441 HydrophobicContact CB-CD1 4.44Å; C411-V446 HydrophobicContact CB-CG1 3.77Å; C411-L447 WeakPolarHBondContact CA-O 3.49Å
412F98.9Very high98.2Very high0 Ų032.1 Ų32.10%018%0.176CC..EExtended strand (participates in β ladder)trans-143.5162.7-173.875.9-70.8000111.8F389 V393 F399 E400 I401 L436 L447 F449 W465 I468F389-F412 AromaticContact CE1-CD1 3.9Å; F389-F412 HydrophobicContact CE1-CD1 3.9Å; F389-F412 AromaticContact CE1-CE1 3.94Å; F389-F412 HydrophobicContact CE1-CE1 3.94Å; F389-F412 HydrophobicContact CE1-CG 4.37Å; F389-F412 HydrophobicContact CE1-CZ 4.43Å; F389-F412 HydrophobicContact CZ-CD1 4.31Å; F389-F412 AromaticContact CZ-CE1 3.95Å; F389-F412 HydrophobicContact CZ-CE1 3.95Å; F389-F412 HydrophobicContact CZ-CE2 4.45Å; F389-F412 HydrophobicContact CZ-CZ 4.02Å; V393-F412 HydrophobicContact CG1-CB 3.9Å; V393-F412 HydrophobicContact CG1-CD2 4.44Å; V393-F412 HydrophobicContact CG1-CG 4.49Å; V393-F412 HydrophobicContact CG2-CB 4.42Å; V393-F412 HydrophobicContact CG2-CD2 4.31Å; V393-F412 HydrophobicContact CG2-CG 4.33Å; F399-F412 AromaticContact CD1-CD2 3.81Å; F399-F412 HydrophobicContact CD1-CD2 3.81Å; F399-F412 HydrophobicContact CD1-CE2 4.13Å; F399-F412 HydrophobicContact CE1-CD2 4.17Å; F399-F412 HydrophobicContact CE1-CE2 4.01Å; E400-F412 VanDerWaalsContact O-CA 3.31Å; E400-F412 WeakPolarHBondContact O-CA 3.48Å; I401-F412 HydrophobicContact CD1-CB 4.32Å; F412-L436 HydrophobicContact CE1-CD2 4.31Å; F412-L436 HydrophobicContact CZ-CD2 4.27Å; F412-L447 HydrophobicContact CD1-CB 4.18Å; F412-L447 HydrophobicContact CE1-CB 3.72Å; F412-L447 HydrophobicContact CE2-CD2 4.48Å; F412-L447 HydrophobicContact CZ-CB 3.92Å; F412-L447 HydrophobicContact CZ-CD2 4.05Å; F412-L447 PolarHBondContact N-O 3.48Å; F412-L447 PolarHBondContact O-N 2.9Å; F412-F449 HydrophobicContact CD1-CB 4.41Å; F412-F449 HydrophobicContact CE1-CB 3.99Å; F412-W465 HydrophobicContact CD2-CZ3 4.45Å; F412-W465 HydrophobicContact CE2-CZ3 4.2Å; F412-I468 HydrophobicContact CE2-CG2 4.03Å; F412-I468 HydrophobicContact CZ-CD1 4.13Å; F412-I468 HydrophobicContact CZ-CG2 4.35Å
413R98.7Very high98.2Very high11 Ų1134.1 Ų34.14%0.04219%0.186CC..EExtended strand (participates in β ladder)trans-157160.8174.870.6-168.6-69.7-933.6110.9F399 E400 C402 G416 S417 N418 N421 F445F399-R413 CarbonylContact C-O 3.49Å; F399-R413 VanDerWaalsContact CA-O 3.27Å; F399-R413 WeakPolarHBondContact CA-O 3.35Å; E400-R413 HydrophobicContact CG-CG 3.56Å; E400-R413 PolarHBondContact N-O 3.02Å; E400-R413 PolarHBondContact O-N 3.49Å; E400-R413 VanDerWaalsContact O-N 3.08Å; E400-R413 WeakPolarHBondContact OE1-CD 3.48Å; E400-R413 WeakPolarHBondContact OE1-CG 3.38Å; E400-R413 IonicContact OE1-CZ 2.91Å; E400-R413 IonicContact OE1-NH1 2.84Å; E400-R413 PolarHBondContact OE1-NH1 2.7Å; C402-R413 WeakPolarHBondContact SG-CD 3.2Å; C402-R413 WeakPolarHBondContact SG-CG 3.11Å; R413-G416 PolarHBondContact NH1-O 2.91Å; R413-G416 PolarHBondContact NH2-O 2.85Å; R413-S417 PolarHBondContact NH2-O 2.97Å; R413-N418 PolarHBondContact NH2-OD1 3.39Å; R413-N421 WeakPolarHBondContact CA-OD1 3.25Å; R413-N421 VanDerWaalsContact CB-OD1 3.27Å; R413-N421 WeakPolarHBondContact CB-OD1 3.18Å; R413-F445 PolarHBondContact NE-O 3.22Å; R413-F445 VanDerWaalsContact NE-O 3.16Å
414L98.6Very high98.2Very high2 Ų233.3 Ų33.31%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-66.9138.4160.7-76.6171.5000109.5R398 F399 G416 L420 N421 L424 A472R398-L414 HydrophobicContact CB-CD2 3.96Å; F399-L414 HydrophobicContact CD1-CD2 3.8Å; F399-L414 HydrophobicContact CD1-CG 4.02Å; F399-L414 HydrophobicContact CD2-CD2 3.94Å; F399-L414 HydrophobicContact CE1-CD2 3.52Å; F399-L414 HydrophobicContact CE1-CG 3.62Å; F399-L414 HydrophobicContact CE2-CD2 3.66Å; F399-L414 HydrophobicContact CG-CD2 4.03Å; F399-L414 HydrophobicContact CZ-CD2 3.46Å; F399-L414 VanDerWaalsContact CZ-CD2 3.46Å; F399-L414 HydrophobicContact CZ-CG 3.98Å; L414-G416 PolarHBondContact O-N 3.26Å; L414-L420 HydrophobicContact CB-CD2 3.92Å; L414-L420 HydrophobicContact CB-CG 4.38Å; L414-L420 HydrophobicContact CD1-CD1 4.35Å; L414-L420 HydrophobicContact CD1-CD2 4.12Å; L414-L420 HydrophobicContact CD1-CG 4.01Å; L414-N421 PolarHBondContact N-OD1 3.5Å; L414-N421 PolarHBondContact O-ND2 3.44Å; L414-L424 HydrophobicContact CD1-CB 4.43Å; L414-L424 HydrophobicContact CD1-CD2 3.8Å; L414-L424 HydrophobicContact CG-CD2 4Å; L414-A472 HydrophobicContact CD1-CB 4.1Å; L414-A472 HydrophobicContact CD2-CB 4.18Å
415K98Very high98.3Very high113 Ų11327.7 Ų27.749%0.49115%0.154SC..SBendtrans-62.5133.6168.5-68.6175.5-178161.10108.9K397 R398 F399 E400K397-K415 PolarHBondContact O-NZ 3.34Å; R398-K415 PolarHBondContact O-N 3.12Å; F399-K415 VanDerWaalsContact O-CE 3.29Å; F399-K415 WeakPolarHBondContact O-CE 3.16Å; E400-K415 HydrophobicContact CB-CG 4.16Å; E400-K415 HydrophobicContact CG-CG 4.11Å
416G96.1Very high98.2Very high51 Ų5133.9 Ų33.953%0.52618%0.18SC..SBendtrans128.4-152.7-174.600000112.1R413 L414R413-G416 PolarHBondContact NH1-O 2.91Å; R413-G416 PolarHBondContact NH2-O 2.85Å; L414-G416 PolarHBondContact O-N 3.26Å
417S97.4Very high98.2Very high53 Ų5334.6 Ų34.637%0.37118%0.181SC..  trans-78.4167.9-170.591.50000113.3R413 E419 L420 N421R413-S417 PolarHBondContact NH2-O 2.97Å; S417-E419 VanDerWaalsContact C-N 3.34Å; S417-E419 WeakPolarHBondContact CB-OE2 3.17Å; S417-E419 PolarHBondContact OG-N 2.63Å; S417-E419 PolarHBondContact OG-OE2 2.96Å; S417-L420 PolarHBondContact OG-N 3.13Å; S417-N421 PolarHBondContact O-ND2 3.33Å; S417-N421 VanDerWaalsContact O-ND2 3.07Å
418N98.4Very high98.1Very high45 Ų4534.6 Ų34.624%0.24118%0.181CC..Hα-helixtrans-68.7-37.3174.2-76.1-15.5000111.2R413 L420 N421 Q422 G443 R444 F445R413-N418 PolarHBondContact NH2-OD1 3.39Å; N418-L420 VanDerWaalsContact C-N 3.32Å; N418-L420 PolarHBondContact O-N 3.1Å; N418-N421 PolarHBondContact O-N 2.74Å; N418-N421 VanDerWaalsContact O-N 3.14Å; N418-Q422 WeakPolarHBondContact O-CG 3.32Å; N418-Q422 PolarHBondContact O-N 3.04Å; N418-G443 PolarHBondContact ND2-O 3.1Å; N418-R444 WeakPolarHBondContact OD1-CA 3.31Å; N418-F445 HydrophobicContact CB-CB 3.86Å; N418-F445 PolarHBondContact OD1-N 2.81Å
419E98.1Very high98Very high109 Ų10936.7 Ų36.751%0.50919%0.194SC..Hα-helixtrans-62.1-39.7179.2-5968.3-146.800111.1S417 N421 Q422 N423S417-E419 VanDerWaalsContact C-N 3.34Å; S417-E419 WeakPolarHBondContact CB-OE2 3.17Å; S417-E419 PolarHBondContact OG-N 2.63Å; S417-E419 PolarHBondContact OG-OE2 2.96Å; E419-N421 VanDerWaalsContact C-N 3.3Å; E419-N421 PolarHBondContact O-N 3.23Å; E419-Q422 PolarHBondContact O-N 2.84Å; E419-N423 WeakPolarHBondContact O-CB 3.29Å; E419-N423 VanDerWaalsContact O-CG 3.26Å; E419-N423 PolarHBondContact O-N 2.88Å; E419-N423 PolarHBondContact O-ND2 3.25Å
420L97.9Very high97.7Very high8 Ų844.8 Ų44.84%0.04223%0.229CC..Hα-helixtrans-56.9-46174.2178.865.1000111.2L414 S417 N418 N423 L424 L475 L476L414-L420 HydrophobicContact CB-CD2 3.92Å; L414-L420 HydrophobicContact CB-CG 4.38Å; L414-L420 HydrophobicContact CD1-CD1 4.35Å; L414-L420 HydrophobicContact CD1-CD2 4.12Å; L414-L420 HydrophobicContact CD1-CG 4.01Å; S417-L420 PolarHBondContact OG-N 3.13Å; N418-L420 VanDerWaalsContact C-N 3.32Å; N418-L420 PolarHBondContact O-N 3.1Å; L420-N423 PolarHBondContact O-N 3.03Å; L420-L424 PolarHBondContact O-N 3.36Å; L420-L475 HydrophobicContact CD1-CD2 3.64Å; L420-L475 HydrophobicContact CD1-CG 3.88Å; L420-L475 HydrophobicContact CG-CD2 4.47Å; L420-L475 WeakPolarHBondContact O-CD2 3.21Å; L420-L476 HydrophobicContact CD1-CD2 4.16Å; L420-L476 HydrophobicContact CD2-CD2 4.22Å
421N98.5Very high97.5Very high0 Ų046.7 Ų46.70%024%0.242CC..Hα-helixtrans-73.7-33.4-179.5-75.9-78.2000113.1R413 L414 S417 N418 E419 N423 L424 L425 F445 L447R413-N421 WeakPolarHBondContact CA-OD1 3.25Å; R413-N421 VanDerWaalsContact CB-OD1 3.27Å; R413-N421 WeakPolarHBondContact CB-OD1 3.18Å; L414-N421 PolarHBondContact N-OD1 3.5Å; L414-N421 PolarHBondContact O-ND2 3.44Å; S417-N421 PolarHBondContact O-ND2 3.33Å; S417-N421 VanDerWaalsContact O-ND2 3.07Å; N418-N421 PolarHBondContact O-N 2.74Å; N418-N421 VanDerWaalsContact O-N 3.14Å; E419-N421 VanDerWaalsContact C-N 3.3Å; E419-N421 PolarHBondContact O-N 3.23Å; N421-N423 VanDerWaalsContact C-N 3.32Å; N421-L424 PolarHBondContact O-N 3.29Å; N421-L425 PolarHBondContact O-N 3.25Å; N421-F445 HydrophobicContact CB-CD1 3.74Å; N421-F445 HydrophobicContact CB-CE1 4.39Å; N421-L447 HydrophobicContact CB-CD1 3.91Å
422Q98.5Very high97.1Very high71 Ų7150.7 Ų50.733%0.33226%0.257SS..Hα-helixtrans-61.1-42.9169.7-71.8171.56.100111.2N418 E419 L425 K426 F445N418-Q422 WeakPolarHBondContact O-CG 3.32Å; N418-Q422 PolarHBondContact O-N 3.04Å; E419-Q422 PolarHBondContact O-N 2.84Å; Q422-L425 PolarHBondContact O-N 3.22Å; Q422-K426 VanDerWaalsContact O-CG 3.31Å; Q422-K426 WeakPolarHBondContact O-CG 3.14Å; Q422-K426 PolarHBondContact O-N 3.47Å; Q422-F445 HydrophobicContact CB-CE1 4.41Å; Q422-F445 HydrophobicContact CB-CZ 4.34Å; Q422-F445 HydrophobicContact CG-CD1 3.98Å; Q422-F445 HydrophobicContact CG-CD2 3.64Å; Q422-F445 HydrophobicContact CG-CE1 3.9Å; Q422-F445 HydrophobicContact CG-CE2 3.55Å; Q422-F445 HydrophobicContact CG-CG 3.84Å; Q422-F445 HydrophobicContact CG-CZ 3.66Å
423N98.3Very high96.8Very high61 Ų6155.2 Ų55.233%0.32628%0.278SS..Hα-helixtrans-69.1-37.4178.1-70.5-21.3000112.2E419 L420 N421 K426 K427 L475E419-N423 WeakPolarHBondContact O-CB 3.29Å; E419-N423 VanDerWaalsContact O-CG 3.26Å; E419-N423 PolarHBondContact O-N 2.88Å; E419-N423 PolarHBondContact O-ND2 3.25Å; L420-N423 PolarHBondContact O-N 3.03Å; N421-N423 VanDerWaalsContact C-N 3.32Å; N423-K426 PolarHBondContact O-N 3.28Å; N423-K427 PolarHBondContact O-N 3.24Å; N423-L475 HydrophobicContact CB-CD1 3.93Å; N423-L475 HydrophobicContact CB-CD2 4.21Å
424L98.4Very high96.7Very high0 Ų054.9 Ų54.90%028%0.277CS..Hα-helixtrans-59.2-49.1171.2178.360.7000111F399 L414 L420 N421 K426 K427 I428 L447 L471 A472 L475F399-L424 HydrophobicContact CE1-CD2 4.04Å; L414-L424 HydrophobicContact CD1-CB 4.43Å; L414-L424 HydrophobicContact CD1-CD2 3.8Å; L414-L424 HydrophobicContact CG-CD2 4Å; L420-L424 PolarHBondContact O-N 3.36Å; N421-L424 PolarHBondContact O-N 3.29Å; L424-K426 VanDerWaalsContact C-N 3.32Å; L424-K426 PolarHBondContact O-N 3.17Å; L424-K427 PolarHBondContact O-N 3.16Å; L424-I428 HydrophobicContact CD1-CD1 4.2Å; L424-I428 HydrophobicContact CD1-CG1 4.41Å; L424-I428 HydrophobicContact CG-CD1 3.96Å; L424-I428 WeakPolarHBondContact O-CG1 3.32Å; L424-I428 PolarHBondContact O-N 2.81Å; L424-L447 HydrophobicContact CD2-CD2 4.11Å; L424-L447 HydrophobicContact CG-CD2 4.31Å; L424-L471 HydrophobicContact CD1-CB 4.12Å; L424-A472 HydrophobicContact CD1-CB 4.07Å; L424-L475 HydrophobicContact CB-CD2 3.83Å
425L98.4Very high96.7Very high18 Ų1855.4 Ų55.49%0.09428%0.279CS..Hα-helixtrans-60.5-41.9177.5-178.266.1000111.7N421 Q422 K427 I428 T429 L436 P438 F445 L447N421-L425 PolarHBondContact O-N 3.25Å; Q422-L425 PolarHBondContact O-N 3.22Å; L425-K427 VanDerWaalsContact C-N 3.34Å; L425-K427 PolarHBondContact O-N 3.27Å; L425-I428 PolarHBondContact O-N 3.29Å; L425-T429 PolarHBondContact O-N 2.84Å; L425-T429 PolarHBondContact O-OG1 2.76Å; L425-T429 VanDerWaalsContact O-OG1 3.13Å; L425-L436 HydrophobicContact CD1-CB 3.86Å; L425-P438 HydrophobicContact CD2-CB 3.97Å; L425-P438 HydrophobicContact CD2-CG 3.74Å; L425-F445 HydrophobicContact CB-CE1 4.4Å; L425-F445 HydrophobicContact CD2-CE1 4.26Å; L425-F445 HydrophobicContact CD2-CZ 3.86Å; L425-L447 HydrophobicContact CB-CD2 4.5Å
426K97.4Very high96.7Very high131 Ų13150.1 Ų50.157%0.5726%0.256SS*.Hα-helixtrans-58.4-44175.3-74.7172.1-174170.90112Q422 N423 L424 T429 K430Q422-K426 VanDerWaalsContact O-CG 3.31Å; Q422-K426 WeakPolarHBondContact O-CG 3.14Å; Q422-K426 PolarHBondContact O-N 3.47Å; N423-K426 PolarHBondContact O-N 3.28Å; L424-K426 VanDerWaalsContact C-N 3.32Å; L424-K426 PolarHBondContact O-N 3.17Å; K426-T429 PolarHBondContact O-N 2.89Å; K426-K430 VanDerWaalsContact O-CB 3.28Å; K426-K430 WeakPolarHBondContact O-CB 3.26Å; K426-K430 PolarHBondContact O-N 3.28Å
427K97.3Very high96.7Very high47 Ų4748.7 Ų48.720%0.20424%0.237CC..Hα-helixtrans-62.9-43.7175.7-77.2-178179.2-95.30111.4N423 L424 L425 K430 S431 L471 L475 E478N423-K427 PolarHBondContact O-N 3.24Å; L424-K427 PolarHBondContact O-N 3.16Å; L425-K427 VanDerWaalsContact C-N 3.34Å; L425-K427 PolarHBondContact O-N 3.27Å; K427-K430 PolarHBondContact O-N 3.17Å; K427-S431 PolarHBondContact O-N 3.22Å; K427-L471 HydrophobicContact CB-CD1 4.44Å; K427-L471 HydrophobicContact CB-CD2 4.41Å; K427-L475 HydrophobicContact CD-CB 4.12Å; K427-L475 HydrophobicContact CD-CD1 4.26Å; K427-E478 WeakPolarHBondContact CE-OE2 3.36Å; K427-E478 IonicContact NZ-OE1 2.96Å; K427-E478 PolarHBondContact NZ-OE1 2.9Å; K427-E478 IonicContact NZ-OE2 2.63Å; K427-E478 PolarHBondContact NZ-OE2 2.65Å
428I96.9Very high96.8Very high0 Ų048.7 Ų48.70%024%0.236CC..Hα-helixtrans-59.2-52.7175.8-67.2166000110.5L424 L425 K430 S431 R432 L434 L436 L447 I468 L471L424-I428 HydrophobicContact CD1-CD1 4.2Å; L424-I428 HydrophobicContact CD1-CG1 4.41Å; L424-I428 HydrophobicContact CG-CD1 3.96Å; L424-I428 WeakPolarHBondContact O-CG1 3.32Å; L424-I428 PolarHBondContact O-N 2.81Å; L425-I428 PolarHBondContact O-N 3.29Å; I428-K430 VanDerWaalsContact C-N 3.31Å; I428-K430 PolarHBondContact O-N 3.12Å; I428-S431 WeakPolarHBondContact O-CB 3.45Å; I428-S431 PolarHBondContact O-N 2.86Å; I428-S431 VanDerWaalsContact O-N 3.12Å; I428-S431 PolarHBondContact O-OG 2.99Å; I428-R432 PolarHBondContact O-N 3.18Å; I428-L434 HydrophobicContact CG2-CB 4.03Å; I428-L436 HydrophobicContact CD1-CD2 4.46Å; I428-L436 HydrophobicContact CG2-CD1 3.97Å; I428-L447 HydrophobicContact CD1-CD2 3.9Å; I428-I468 HydrophobicContact CD1-CG1 4.07Å; I428-L471 HydrophobicContact CB-CD1 4.34Å; I428-L471 HydrophobicContact CG1-CD1 3.71Å
429T94.8Very high96.7Very high45 Ų4547.5 Ų47.528%0.27623%0.231SC..Hα-helixtrans-59.9-40.6179.1-58.90000112Y30 L425 K426 S431 R432Y30-T429 HydrophobicContact CD1-CG2 4.39Å; Y30-T429 HydrophobicContact CE1-CG2 4.35Å; L425-T429 PolarHBondContact O-N 2.84Å; L425-T429 PolarHBondContact O-OG1 2.76Å; L425-T429 VanDerWaalsContact O-OG1 3.13Å; K426-T429 PolarHBondContact O-N 2.89Å; T429-S431 VanDerWaalsContact C-N 3.31Å; T429-S431 PolarHBondContact O-N 3.33Å; T429-R432 WeakPolarHBondContact O-CG 3.39Å; T429-R432 PolarHBondContact O-N 2.57Å
430K93.9Very high96.7Very high173 Ų17348.9 Ų48.975%0.75224%0.237SC*.Hα-helixtrans-65.6-32.5177.8-172.8176.9179.3-177.70112.7K426 K427 I428 R432K426-K430 VanDerWaalsContact O-CB 3.28Å; K426-K430 WeakPolarHBondContact O-CB 3.26Å; K426-K430 PolarHBondContact O-N 3.28Å; K427-K430 PolarHBondContact O-N 3.17Å; I428-K430 VanDerWaalsContact C-N 3.31Å; I428-K430 PolarHBondContact O-N 3.12Å; K430-R432 VanDerWaalsContact C-N 3.28Å; K430-R432 PolarHBondContact O-N 3.15Å
431S93.4Very high96.6Very high39 Ų3948.6 Ų48.627%0.27324%0.236SC..Hα-helixtrans-68.8-27.1176.776.30000113.2K427 I428 T429 E433 H467K427-S431 PolarHBondContact O-N 3.22Å; I428-S431 WeakPolarHBondContact O-CB 3.45Å; I428-S431 PolarHBondContact O-N 2.86Å; I428-S431 VanDerWaalsContact O-N 3.12Å; I428-S431 PolarHBondContact O-OG 2.99Å; T429-S431 VanDerWaalsContact C-N 3.31Å; T429-S431 PolarHBondContact O-N 3.33Å; S431-E433 PolarHBondContact O-N 3.41Å; S431-H467 WeakPolarHBondContact CB-NE2 3.39Å; S431-H467 PolarHBondContact OG-NE2 2.99Å
432R91.1Very high96.4Very high88 Ų8853.1 Ų53.133%0.33227%0.268SS..  trans59.16.8-178.6-53.4175.5-165148.45.3115.6V29 D32 I428 T429 K430 L434V29-R432 WeakPolarHBondContact CG1-O 3.44Å; D32-R432 IonicContact OD1-CZ 2.91Å; D32-R432 VanDerWaalsContact OD1-CZ 3.32Å; D32-R432 IonicContact OD1-NE 3.05Å; D32-R432 IonicContact OD1-NH1 2.75Å; D32-R432 IonicContact OD1-NH2 2.99Å; D32-R432 PolarHBondContact OD1-NH2 3.47Å; D32-R432 IonicContact OD2-CZ 3.61Å; D32-R432 IonicContact OD2-NH1 3.32Å; D32-R432 PolarHBondContact OD2-NH1 2.93Å; D32-R432 IonicContact OD2-NH2 3.14Å; D32-R432 PolarHBondContact OD2-NH2 3.37Å; I428-R432 PolarHBondContact O-N 3.18Å; T429-R432 WeakPolarHBondContact O-CG 3.39Å; T429-R432 PolarHBondContact O-N 2.57Å; K430-R432 VanDerWaalsContact C-N 3.28Å; K430-R432 PolarHBondContact O-N 3.15Å; R432-L434 VanDerWaalsContact C-N 3.33Å
433E92.9Very high96.2Very high94 Ų9451.7 Ų51.744%0.43927%0.272SS..SBendtrans-72.6-31.3173.5-64.5-167.4-165.700111.7N75 S431 H467N75-E433 VanDerWaalsContact CB-O 3.24Å; N75-E433 WeakPolarHBondContact CB-O 3.44Å; S431-E433 PolarHBondContact O-N 3.41Å; E433-H467 IonicContact OE1-CE1 3.07Å; E433-H467 IonicContact OE2-CD2 3.36Å; E433-H467 IonicContact OE2-CE1 2.67Å; E433-H467 IonicContact OE2-CG 2.89Å; E433-H467 IonicContact OE2-ND1 3.04Å; E433-H467 IonicContact OE2-NE2 3.9Å
434L96.7Very high96.2Very high4 Ų452.8 Ų52.82%0.02127%0.271CS..  trans-133.2149.2-179-53.7173.9000110.1N75 F77 I428 R432 L436 A464 H467 I468N75-L434 HydrophobicContact CB-CD2 4.2Å; F77-L434 HydrophobicContact CD2-CD2 4.12Å; F77-L434 HydrophobicContact CE2-CD2 3.8Å; I428-L434 HydrophobicContact CG2-CB 4.03Å; R432-L434 VanDerWaalsContact C-N 3.33Å; L434-L436 HydrophobicContact CB-CD1 3.65Å; L434-L436 HydrophobicContact CD1-CD1 4.4Å; L434-A464 HydrophobicContact CD1-CB 3.91Å; L434-A464 HydrophobicContact CD2-CB 3.68Å; L434-A464 HydrophobicContact CG-CB 4.48Å; L434-H467 HydrophobicContact CD1-CB 4.37Å; L434-I468 HydrophobicContact CD1-CD1 4.13Å; L434-I468 HydrophobicContact CD1-CG1 3.92Å
435H97.6Very high96.2Very high13 Ų1354.6 Ų54.66%0.0628%0.279CS..BIsolated β-bridgetrans-117.6116.2169.8-170.251.9000110.9V29 Y30 N75 F76 F77 A78V29-H435 HydrophobicContact CG1-CB 4.01Å; V29-H435 HydrophobicContact CG2-CB 3.97Å; Y30-H435 AromaticContact CD2-CE1 3.5Å; Y30-H435 VanDerWaalsContact CD2-CE1 3.5Å; Y30-H435 WeakPolarHBondContact CD2-CE1 3.14Å; Y30-H435 AromaticContact CD2-ND1 3.62Å; Y30-H435 AromaticContact CD2-NE2 3.94Å; Y30-H435 AromaticContact CE2-CE1 3.72Å; Y30-H435 AromaticContact CG-ND1 3.8Å; N75-H435 PolarHBondContact O-N 2.78Å; F76-H435 HydrophobicContact CD2-CB 4.39Å; F76-H435 AromaticContact CD2-CD2 3.94Å; F76-H435 AromaticContact CE2-CD2 3.62Å; F77-H435 CarbonylContact C-O 3.6Å; F77-H435 VanDerWaalsContact C-O 3.26Å; F77-H435 WeakPolarHBondContact CA-O 3.49Å; F77-H435 PolarHBondContact N-O 2.92Å; A78-H435 WeakPolarHBondContact CB-CD2 3.4Å; A78-H435 PolarHBondContact N-O 2.94Å
436L97.9Very high96.2Very high3 Ų353.8 Ų53.82%0.01628%0.275CS..  trans-125.8158.3177.1-73.870.1000109F77 F412 L425 I428 L434 L447 F449 I468F77-L436 HydrophobicContact CB-CD1 4.31Å; F77-L436 HydrophobicContact CB-CG 4.37Å; F412-L436 HydrophobicContact CE1-CD2 4.31Å; F412-L436 HydrophobicContact CZ-CD2 4.27Å; L425-L436 HydrophobicContact CD1-CB 3.86Å; I428-L436 HydrophobicContact CD1-CD2 4.46Å; I428-L436 HydrophobicContact CG2-CD1 3.97Å; L434-L436 HydrophobicContact CB-CD1 3.65Å; L434-L436 HydrophobicContact CD1-CD1 4.4Å; L436-L447 HydrophobicContact CD2-CD2 4.34Å; L436-F449 HydrophobicContact CD2-CD2 4.37Å; L436-I468 HydrophobicContact CD2-CD1 4.49Å
437V97.3Very high96.2Very high21 Ų2147.6 Ų47.613%0.12725%0.248CC..EExtended strand (participates in β ladder)trans-130.9150.4171.2-65.90000109.9A78 Y79 R448A78-V437 HydrophobicContact CB-CG1 3.89Å; A78-V437 HydrophobicContact CB-CG2 4.24Å; Y79-V437 HydrophobicContact CD1-CG2 4.19Å; Y79-V437 HydrophobicContact CE1-CG1 4.07Å; Y79-V437 HydrophobicContact CE1-CG2 4.43Å; Y79-V437 HydrophobicContact CE2-CG1 4.17Å; Y79-V437 HydrophobicContact CG-CG2 4.45Å; Y79-V437 VanDerWaalsContact N-CG2 3.34Å; V437-R448 WeakPolarHBondContact O-CB 3Å; V437-R448 PolarHBondContact O-N 3.04Å
438P98.2Very high96.3Very high52 Ų5245.7 Ų45.734%0.33824%0.24SC..EExtended strand (participates in β ladder)trans-87.9169.3-179.936.1-30.7000111.8L425 F445 V446L425-P438 HydrophobicContact CD2-CB 3.97Å; L425-P438 HydrophobicContact CD2-CG 3.74Å; P438-F445 HydrophobicContact CB-CD1 4.36Å; P438-F445 HydrophobicContact CB-CD2 4.27Å; P438-F445 HydrophobicContact CB-CE1 3.67Å; P438-F445 HydrophobicContact CB-CE2 3.54Å; P438-F445 HydrophobicContact CB-CZ 3.21Å; P438-F445 HydrophobicContact CG-CE1 4.46Å; P438-F445 HydrophobicContact CG-CE2 3.74Å; P438-F445 HydrophobicContact CG-CZ 3.57Å; P438-V446 CarbonylContact C-O 3.51Å; P438-V446 WeakPolarHBondContact CA-O 3.32Å
439C97.9Very high96.4Very high20 Ų2045.7 Ų45.714%0.13524%0.24CC..EExtended strand (participates in β ladder)trans-135.7176.7156.9610000110.5P247 V446 R448P247-C439 HydrophobicContact CB-CB 4.05Å; P247-C439 PolarHBondContact O-SG 3.06Å; C439-V446 PolarHBondContact N-O 3.41Å; C439-V446 PolarHBondContact O-N 3.2Å; C439-R448 HydrophobicContact CB-CG 4.34Å
440Q96.7Very high96.6Very high139 Ų13943.5 Ų43.565%0.6523%0.226SC*.EExtended strand (participates in β ladder)trans-115126.8172.7-174.5171.1-16.700109.2R444Q440-R444 VanDerWaalsContact CA-O 3.3Å; Q440-R444 WeakPolarHBondContact CA-O 3.43Å
441L96.7Very high96.8Very high2 Ų235.3 Ų35.31%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-128.3118176.6-66179.9000108.6Y215 P247 C402 A403 C411 G443 R444 V446Y215-L441 HydrophobicContact CD1-CD2 4.25Å; Y215-L441 HydrophobicContact CD2-CD2 4.49Å; Y215-L441 HydrophobicContact CE1-CB 4.09Å; Y215-L441 HydrophobicContact CE1-CD2 4.11Å; Y215-L441 HydrophobicContact CE2-CB 4.42Å; Y215-L441 HydrophobicContact CE2-CD1 4.17Å; Y215-L441 HydrophobicContact CE2-CD2 4.35Å; Y215-L441 HydrophobicContact CG-CD2 4.45Å; P247-L441 HydrophobicContact CB-CD2 3.71Å; C402-L441 HydrophobicContact CB-CD1 4.26Å; A403-L441 HydrophobicContact CB-CD1 4.35Å; C411-L441 HydrophobicContact CB-CD1 4.44Å; L441-G443 PolarHBondContact O-N 2.88Å; L441-G443 VanDerWaalsContact O-N 3.14Å; L441-R444 PolarHBondContact N-O 3.36Å; L441-R444 VanDerWaalsContact O-CB 3.29Å; L441-R444 WeakPolarHBondContact O-CB 3.28Å; L441-R444 PolarHBondContact O-N 3.31Å; L441-V446 HydrophobicContact CB-CG2 4.18Å; L441-V446 HydrophobicContact CD1-CG1 4.31Å; L441-V446 HydrophobicContact CD1-CG2 4.2Å; L441-V446 HydrophobicContact CG-CG2 4.32Å
442S93.5Very high97Very high95 Ų9533.9 Ų33.966%0.66418%0.181SC*.THydrogen-bonded Turntrans48.242.1-177.9-46.80000113.7Y215 R444Y215-S442 VanDerWaalsContact CE1-OG 3.26Å; Y215-S442 WeakPolarHBondContact CE1-OG 3.47Å; Y215-S442 PolarHBondContact OH-OG 3.03Å; S442-R444 VanDerWaalsContact C-N 3.3Å; S442-R444 PolarHBondContact O-N 3.1Å
443G94.9Very high97.3Very high41 Ų4129.8 Ų29.842%0.42317%0.166SC..THydrogen-bonded Turntrans80.6-0.4-178.100000115.8N418 L441N418-G443 PolarHBondContact ND2-O 3.1Å; L441-G443 PolarHBondContact O-N 2.88Å; L441-G443 VanDerWaalsContact O-N 3.14Å
444R97.5Very high97.4Very high84 Ų8430.4 Ų30.432%0.31716%0.164SC..EExtended strand (participates in β ladder)trans-98.6137.2-178.7-59.9168.364.8176.43.1111.1E400 N418 Q440 L441 S442 V446E400-R444 IonicContact OE1-CZ 3.8Å; E400-R444 IonicContact OE1-NH2 3.77Å; E400-R444 PolarHBondContact OE1-NH2 3.1Å; E400-R444 IonicContact OE2-NH2 2.69Å; E400-R444 PolarHBondContact OE2-NH2 2.83Å; N418-R444 WeakPolarHBondContact OD1-CA 3.31Å; Q440-R444 VanDerWaalsContact CA-O 3.3Å; Q440-R444 WeakPolarHBondContact CA-O 3.43Å; L441-R444 PolarHBondContact N-O 3.36Å; L441-R444 VanDerWaalsContact O-CB 3.29Å; L441-R444 WeakPolarHBondContact O-CB 3.28Å; L441-R444 PolarHBondContact O-N 3.31Å; S442-R444 VanDerWaalsContact C-N 3.3Å; S442-R444 PolarHBondContact O-N 3.1Å; R444-V446 HydrophobicContact CB-CG2 4.36Å
445F98.5Very high97.3Very high38 Ų3832.4 Ų32.417%0.16718%0.179CC..EExtended strand (participates in β ladder)trans-78.7121.9171.2-170.6-84.7000109.3R413 N418 N421 Q422 L425 P438 L447R413-F445 PolarHBondContact NE-O 3.22Å; R413-F445 VanDerWaalsContact NE-O 3.16Å; N418-F445 HydrophobicContact CB-CB 3.86Å; N418-F445 PolarHBondContact OD1-N 2.81Å; N421-F445 HydrophobicContact CB-CD1 3.74Å; N421-F445 HydrophobicContact CB-CE1 4.39Å; Q422-F445 HydrophobicContact CB-CE1 4.41Å; Q422-F445 HydrophobicContact CB-CZ 4.34Å; Q422-F445 HydrophobicContact CG-CD1 3.98Å; Q422-F445 HydrophobicContact CG-CD2 3.64Å; Q422-F445 HydrophobicContact CG-CE1 3.9Å; Q422-F445 HydrophobicContact CG-CE2 3.55Å; Q422-F445 HydrophobicContact CG-CG 3.84Å; Q422-F445 HydrophobicContact CG-CZ 3.66Å; L425-F445 HydrophobicContact CB-CE1 4.4Å; L425-F445 HydrophobicContact CD2-CE1 4.26Å; L425-F445 HydrophobicContact CD2-CZ 3.86Å; P438-F445 HydrophobicContact CB-CD1 4.36Å; P438-F445 HydrophobicContact CB-CD2 4.27Å; P438-F445 HydrophobicContact CB-CE1 3.67Å; P438-F445 HydrophobicContact CB-CE2 3.54Å; P438-F445 HydrophobicContact CB-CZ 3.21Å; P438-F445 HydrophobicContact CG-CE1 4.46Å; P438-F445 HydrophobicContact CG-CE2 3.74Å; P438-F445 HydrophobicContact CG-CZ 3.57Å; F445-L447 HydrophobicContact CD1-CD1 4.34Å; F445-L447 HydrophobicContact CE1-CD1 4.17Å
446V98.6Very high97.4Very high1 Ų131.8 Ų31.81%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-128.4135.4-171.2177.40000109.6C402 C411 P438 C439 L441 R444C402-V446 HydrophobicContact CB-CG1 3.83Å; C402-V446 HydrophobicContact CB-CG2 3.96Å; C411-V446 HydrophobicContact CB-CG1 3.77Å; P438-V446 CarbonylContact C-O 3.51Å; P438-V446 WeakPolarHBondContact CA-O 3.32Å; C439-V446 PolarHBondContact N-O 3.41Å; C439-V446 PolarHBondContact O-N 3.2Å; L441-V446 HydrophobicContact CB-CG2 4.18Å; L441-V446 HydrophobicContact CD1-CG1 4.31Å; L441-V446 HydrophobicContact CD1-CG2 4.2Å; L441-V446 HydrophobicContact CG-CG2 4.32Å; R444-V446 HydrophobicContact CB-CG2 4.36Å
447L98.8Very high97.4Very high0 Ų035.9 Ų35.90%020%0.195CC..EExtended strand (participates in β ladder)trans-85.1140.6173.1-74.571.3000109.2C411 F412 N421 L424 L425 I428 L436 F445C411-L447 WeakPolarHBondContact CA-O 3.49Å; F412-L447 HydrophobicContact CD1-CB 4.18Å; F412-L447 HydrophobicContact CE1-CB 3.72Å; F412-L447 HydrophobicContact CE2-CD2 4.48Å; F412-L447 HydrophobicContact CZ-CB 3.92Å; F412-L447 HydrophobicContact CZ-CD2 4.05Å; F412-L447 PolarHBondContact N-O 3.48Å; F412-L447 PolarHBondContact O-N 2.9Å; N421-L447 HydrophobicContact CB-CD1 3.91Å; L424-L447 HydrophobicContact CD2-CD2 4.11Å; L424-L447 HydrophobicContact CG-CD2 4.31Å; L425-L447 HydrophobicContact CB-CD2 4.5Å; I428-L447 HydrophobicContact CD1-CD2 3.9Å; L436-L447 HydrophobicContact CD2-CD2 4.34Å; F445-L447 HydrophobicContact CD1-CD1 4.34Å; F445-L447 HydrophobicContact CE1-CD1 4.17Å
448R98.8Very high97.5Very high7 Ų737.5 Ų37.53%0.02621%0.207CC..EExtended strand (participates in β ladder)trans-108.6132.4176.3-65.2171.573.1-98.73.2109.9Y79 T246 P247 L409 V437 C439Y79-R448 PolarHBondContact O-NH1 2.93Å; Y79-R448 PolarHBondContact O-NH2 3.4Å; T246-R448 VanDerWaalsContact O-CZ 3.31Å; T246-R448 PolarHBondContact O-NE 2.74Å; T246-R448 VanDerWaalsContact O-NE 3.12Å; T246-R448 PolarHBondContact O-NH2 2.91Å; P247-R448 WeakPolarHBondContact O-CD 3.29Å; P247-R448 PolarHBondContact O-NE 2.76Å; P247-R448 VanDerWaalsContact O-NE 3.08Å; L409-R448 HydrophobicContact CD1-CB 3.87Å; L409-R448 HydrophobicContact CD1-CG 4.32Å; V437-R448 WeakPolarHBondContact O-CB 3Å; V437-R448 PolarHBondContact O-N 3.04Å; C439-R448 HydrophobicContact CB-CG 4.34Å
449F98.8Very high97.5Very high0 Ų040.8 Ų40.80%021%0.213CC..EExtended strand (participates in β ladder)trans-121.496.2173.7-168.1-90.1000108.9F77 F389 V410 F412 L436 I451 I461 A464 I468F77-F449 HydrophobicContact CB-CD2 3.87Å; F77-F449 HydrophobicContact CB-CE2 4.02Å; F77-F449 HydrophobicContact CB-CG 4.29Å; F77-F449 HydrophobicContact CD1-CD1 4.04Å; F77-F449 HydrophobicContact CD1-CD2 4.12Å; F77-F449 AromaticContact CD1-CE1 3.55Å; F77-F449 HydrophobicContact CD1-CE1 3.55Å; F77-F449 AromaticContact CD1-CE2 3.64Å; F77-F449 HydrophobicContact CD1-CE2 3.64Å; F77-F449 HydrophobicContact CD1-CG 4.31Å; F77-F449 AromaticContact CD1-CZ 3.34Å; F77-F449 HydrophobicContact CD1-CZ 3.34Å; F77-F449 HydrophobicContact CD2-CD2 4.17Å; F77-F449 AromaticContact CD2-CE2 3.46Å; F77-F449 HydrophobicContact CD2-CE2 3.46Å; F77-F449 VanDerWaalsContact CD2-CE2 3.46Å; F77-F449 AromaticContact CD2-CZ 3.83Å; F77-F449 HydrophobicContact CD2-CZ 3.83Å; F77-F449 HydrophobicContact CE1-CD1 4.48Å; F77-F449 AromaticContact CE1-CE1 3.58Å; F77-F449 HydrophobicContact CE1-CE1 3.58Å; F77-F449 AromaticContact CE1-CE2 3.92Å; F77-F449 HydrophobicContact CE1-CE2 3.92Å; F77-F449 AromaticContact CE1-CZ 3.23Å; F77-F449 HydrophobicContact CE1-CZ 3.23Å; F77-F449 AromaticContact CE2-CE2 3.71Å; F77-F449 HydrophobicContact CE2-CE2 3.71Å; F77-F449 AromaticContact CE2-CZ 3.7Å; F77-F449 HydrophobicContact CE2-CZ 3.7Å; F77-F449 AromaticContact CG-CD2 3.79Å; F77-F449 HydrophobicContact CG-CD2 3.79Å; F77-F449 HydrophobicContact CG-CE1 4.2Å; F77-F449 AromaticContact CG-CE2 3.41Å; F77-F449 HydrophobicContact CG-CE2 3.41Å; F77-F449 VanDerWaalsContact CG-CE2 3.41Å; F77-F449 HydrophobicContact CG-CG 4.33Å; F77-F449 AromaticContact CG-CZ 3.65Å; F77-F449 HydrophobicContact CG-CZ 3.65Å; F77-F449 HydrophobicContact CZ-CE1 4.21Å; F77-F449 AromaticContact CZ-CE2 3.94Å; F77-F449 HydrophobicContact CZ-CE2 3.94Å; F77-F449 AromaticContact CZ-CZ 3.41Å; F77-F449 HydrophobicContact CZ-CZ 3.41Å; F77-F449 VanDerWaalsContact CZ-CZ 3.41Å; F389-F449 HydrophobicContact CB-CD1 4.26Å; F389-F449 HydrophobicContact CB-CE1 4.15Å; F389-F449 HydrophobicContact CD1-CB 4.09Å; F389-F449 AromaticContact CD1-CD1 3.64Å; F389-F449 HydrophobicContact CD1-CD1 3.64Å; F389-F449 HydrophobicContact CD1-CE1 4.21Å; F389-F449 AromaticContact CD1-CG 3.91Å; F389-F449 HydrophobicContact CD1-CG 3.91Å; F389-F449 AromaticContact CD2-CD1 3.91Å; F389-F449 HydrophobicContact CD2-CD1 3.91Å; F389-F449 HydrophobicContact CD2-CD2 4.43Å; F389-F449 AromaticContact CD2-CE1 3.65Å; F389-F449 HydrophobicContact CD2-CE1 3.65Å; F389-F449 HydrophobicContact CD2-CE2 4.21Å; F389-F449 HydrophobicContact CD2-CG 4.29Å; F389-F449 AromaticContact CD2-CZ 3.81Å; F389-F449 HydrophobicContact CD2-CZ 3.81Å; F389-F449 HydrophobicContact CE1-CB 3.61Å; F389-F449 AromaticContact CE1-CD1 3.88Å; F389-F449 HydrophobicContact CE1-CD1 3.88Å; F389-F449 HydrophobicContact CE1-CD2 4.15Å; F389-F449 AromaticContact CE1-CG 3.62Å; F389-F449 HydrophobicContact CE1-CG 3.62Å; F389-F449 HydrophobicContact CE2-CD1 4.12Å; F389-F449 AromaticContact CE2-CD2 3.86Å; F389-F449 HydrophobicContact CE2-CD2 3.86Å; F389-F449 HydrophobicContact CE2-CE1 4.05Å; F389-F449 AromaticContact CE2-CE2 3.8Å; F389-F449 HydrophobicContact CE2-CE2 3.8Å; F389-F449 HydrophobicContact CE2-CG 4.02Å; F389-F449 AromaticContact CE2-CZ 3.89Å; F389-F449 HydrophobicContact CE2-CZ 3.89Å; F389-F449 AromaticContact CG-CD1 3.66Å; F389-F449 HydrophobicContact CG-CD1 3.66Å; F389-F449 AromaticContact CG-CE1 3.73Å; F389-F449 HydrophobicContact CG-CE1 3.73Å; F389-F449 HydrophobicContact CG-CG 4.23Å; F389-F449 HydrophobicContact CG-CZ 4.36Å; F389-F449 HydrophobicContact CZ-CB 4.01Å; F389-F449 HydrophobicContact CZ-CD1 4.11Å; F389-F449 AromaticContact CZ-CD2 3.71Å; F389-F449 HydrophobicContact CZ-CD2 3.71Å; F389-F449 HydrophobicContact CZ-CE1 4.5Å; F389-F449 HydrophobicContact CZ-CE2 4.14Å; F389-F449 AromaticContact CZ-CG 3.68Å; F389-F449 HydrophobicContact CZ-CG 3.68Å; V410-F449 HydrophobicContact CB-CB 4.45Å; V410-F449 PolarHBondContact N-O 3.19Å; V410-F449 PolarHBondContact O-N 3.03Å; F412-F449 HydrophobicContact CD1-CB 4.41Å; F412-F449 HydrophobicContact CE1-CB 3.99Å; L436-F449 HydrophobicContact CD2-CD2 4.37Å; F449-I451 HydrophobicContact CD1-CD1 3.76Å; F449-I451 HydrophobicContact CE1-CD1 3.42Å; F449-I451 VanDerWaalsContact CE1-CD1 3.42Å; F449-I461 HydrophobicContact CE1-CD1 4Å; F449-I461 HydrophobicContact CZ-CD1 4.26Å; F449-A464 HydrophobicContact CE2-CB 3.87Å; F449-A464 HydrophobicContact CZ-CB 3.96Å; F449-I468 HydrophobicContact CD2-CD1 4.43Å; F449-I468 HydrophobicContact CE2-CD1 4.42Å
450A98.6Very high97.5Very high0 Ų039.9 Ų39.90%021%0.207CC..EExtended strand (participates in β ladder)trans-99.6125-179.900000110.6F77 Y79 G408 L409 C452F77-A450 VanDerWaalsContact CA-O 3.3Å; F77-A450 WeakPolarHBondContact CA-O 3.41Å; F77-A450 WeakPolarHBondContact CD1-O 3.45Å; F77-A450 PolarHBondContact O-N 2.96Å; Y79-A450 WeakPolarHBondContact O-CB 3.45Å; G408-A450 CarbonylContact O-C 3.57Å; G408-A450 WeakPolarHBondContact O-CA 3.44Å; L409-A450 HydrophobicContact CD1-CB 4.05Å; A450-C452 PolarHBondContact O-N 3.13Å; A450-C452 PolarHBondContact O-SG 3.15Å
451I98.6Very high97.6Very high0 Ų033.3 Ų33.30%018%0.176CC..  trans-73.1111.5175.6-43.1-54.8000108.5F77 P81 Q382 L385 A386 G408 F449 T456 I461F77-I451 HydrophobicContact CE1-CD1 4.34Å; P81-I451 VanDerWaalsContact CG-O 3.27Å; P81-I451 WeakPolarHBondContact CG-O 3.28Å; Q382-I451 PolarHBondContact OE1-O 3.29Å; L385-I451 HydrophobicContact CB-CD1 4.42Å; L385-I451 HydrophobicContact CB-CG1 4.24Å; L385-I451 HydrophobicContact CB-CG2 4.18Å; L385-I451 HydrophobicContact CD1-CG2 4.06Å; A386-I451 HydrophobicContact CB-CD1 4.46Å; A386-I451 HydrophobicContact CB-CG1 3.85Å; G408-I451 PolarHBondContact O-N 3.19Å; F449-I451 HydrophobicContact CD1-CD1 3.76Å; F449-I451 HydrophobicContact CE1-CD1 3.42Å; F449-I451 VanDerWaalsContact CE1-CD1 3.42Å; I451-T456 HydrophobicContact CG2-CG2 4.02Å; I451-I461 HydrophobicContact CD1-CD1 3.7Å
452C97.1Very high97.7Very high10 Ų1036.4 Ų36.47%0.06819%0.19CC..  trans-108.5-56.5-170.2-66.50000115.1F76 P81 A450F76-C452 HydrophobicContact CD1-CB 3.83Å; F76-C452 HydrophobicContact CE1-CB 4.47Å; F76-C452 WeakPolarHBondContact O-CB 3.31Å; P81-C452 HydrophobicContact CB-CB 3.86Å; P81-C452 HydrophobicContact CG-CB 4.1Å; A450-C452 PolarHBondContact O-N 3.13Å; A450-C452 PolarHBondContact O-SG 3.15Å
453A96.7Very high98Very high2 Ų235.3 Ų35.32%0.01718%0.175CC..  trans-72.7141.1-171.200000112H72 S73 Q382 S455 T456H72-A453 VanDerWaalsContact O-CB 3.24Å; H72-A453 WeakPolarHBondContact O-CB 3.47Å; S73-A453 WeakPolarHBondContact O-CB 3.39Å; Q382-A453 PolarHBondContact NE2-O 3.1Å; Q382-A453 VanDerWaalsContact NE2-O 3.1Å; A453-S455 PolarHBondContact O-N 2.84Å; A453-T456 PolarHBondContact N-OG1 3.13Å; A453-T456 WeakPolarHBondContact O-CB 3.3Å; A453-T456 PolarHBondContact O-N 3.34Å; A453-T456 VanDerWaalsContact O-N 3.09Å; A453-T456 PolarHBondContact O-OG1 2.8Å
454R95.4Very high98.1Very high106 Ų10633.4 Ų33.440%0.416%0.155SC..THydrogen-bonded Turntrans-57.7-33.6171.8-177.3-174.766.785-0.3112.1L306 T456L306-R454 HydrophobicContact CD2-CB 4.15Å; L306-R454 HydrophobicContact CD2-CG 3.92Å; R454-T456 VanDerWaalsContact C-N 3.31Å
455S96.2Very high98.2Very high47 Ų4730.4 Ų30.433%0.32914%0.143SC..THydrogen-bonded Turntrans-80.4-3.1179.847.90000114.1A453 H460A453-S455 PolarHBondContact O-N 2.84Å; S455-H460 PolarHBondContact O-CE1 3.36Å
456T98.3Very high98.2Very high0 Ų036.1 Ų36.10%016%0.164CC..  trans-60.4143178.3-440000111F77 K381 L385 I451 A453 R454 H460 I461F77-T456 HydrophobicContact CE1-CG2 4.46Å; K381-T456 WeakPolarHBondContact CE-O 3.34Å; K381-T456 PolarHBondContact NZ-O 3.27Å; L385-T456 HydrophobicContact CD1-CG2 4.06Å; I451-T456 HydrophobicContact CG2-CG2 4.02Å; A453-T456 PolarHBondContact N-OG1 3.13Å; A453-T456 WeakPolarHBondContact O-CB 3.3Å; A453-T456 PolarHBondContact O-N 3.34Å; A453-T456 VanDerWaalsContact O-N 3.09Å; A453-T456 PolarHBondContact O-OG1 2.8Å; R454-T456 VanDerWaalsContact C-N 3.31Å; T456-H460 HydrophobicContact CG2-CB 4.14Å; T456-I461 HydrophobicContact CG2-CD1 3.84Å
457E98.5Very high98.2Very high89 Ų8937.4 Ų37.442%0.41617%0.17SC..  trans-145163-175.3-68.5177.8167.400108.6R459 H460 I461E457-R459 HydrophobicContact CB-CG 4.17Å; E457-R459 PolarHBondContact O-N 3.44Å; E457-R459 IonicContact OE2-NE 2.58Å; E457-R459 PolarHBondContact OE2-NE 3.46Å; E457-H460 PolarHBondContact N-ND1 3.27Å; E457-H460 WeakPolarHBondContact O-CB 3.39Å; E457-H460 PolarHBondContact O-N 3.33Å; E457-H460 PolarHBondContact O-ND1 3.11Å; E457-I461 PolarHBondContact O-N 2.87Å
458S98.8Very high98.2Very high55 Ų5537.4 Ų37.439%0.38517%0.17SC..Hα-helixtrans-51.8-40.5179.41670000112.4E388 H460 I461 Q462E388-S458 VanDerWaalsContact CD-OG 3.3Å; E388-S458 WeakPolarHBondContact OE1-CB 3.5Å; E388-S458 PolarHBondContact OE1-OG 3.19Å; E388-S458 VanDerWaalsContact OE2-CB 3.25Å; E388-S458 WeakPolarHBondContact OE2-CB 3.1Å; E388-S458 PolarHBondContact OE2-OG 3.14Å; S458-H460 PolarHBondContact O-N 3.44Å; S458-H460 VanDerWaalsContact O-N 3.15Å; S458-I461 WeakPolarHBondContact O-CB 3.47Å; S458-I461 PolarHBondContact O-N 2.97Å; S458-Q462 VanDerWaalsContact O-CG 3.32Å; S458-Q462 WeakPolarHBondContact O-CG 3.41Å; S458-Q462 PolarHBondContact O-N 3Å
459R98.6Very high98.2Very high121 Ų12138.3 Ų38.346%0.45718%0.176SC..Hα-helixtrans-53.9-38.2176.669.7179.8-17988.8-4.5113.5E25 E457 Q463E25-R459 IonicContact OE1-CZ 3.76Å; E25-R459 IonicContact OE1-NH1 3.79Å; E25-R459 PolarHBondContact OE1-NH1 2.96Å; E25-R459 IonicContact OE1-NH2 3.88Å; E25-R459 IonicContact OE2-CZ 3.02Å; E25-R459 IonicContact OE2-NH1 2.64Å; E25-R459 PolarHBondContact OE2-NH1 3.28Å; E25-R459 VanDerWaalsContact OE2-NH1 3.15Å; E25-R459 IonicContact OE2-NH2 2.78Å; E25-R459 PolarHBondContact OE2-NH2 3.09Å; E457-R459 HydrophobicContact CB-CG 4.17Å; E457-R459 PolarHBondContact O-N 3.44Å; E457-R459 IonicContact OE2-NE 2.58Å; E457-R459 PolarHBondContact OE2-NE 3.46Å; R459-Q463 WeakPolarHBondContact O-CB 3.24Å; R459-Q463 PolarHBondContact O-N 3.32Å
460H98.7Very high98.2Very high1 Ų142.8 Ų42.81%0.00520%0.197CC..Hα-helixtrans-71.2-39.9178.7-55.2109.1000111E25 P74 S455 T456 E457 S458 Q463 A464E25-H460 IonicContact OE1-CD2 4Å; E25-H460 IonicContact OE1-NE2 3.58Å; E25-H460 IonicContact OE2-NE2 3.16Å; E25-H460 PolarHBondContact OE2-NE2 3.23Å; P74-H460 HydrophobicContact CB-CB 4.36Å; P74-H460 WeakPolarHBondContact CG-NE2 3.48Å; S455-H460 PolarHBondContact O-CE1 3.36Å; T456-H460 HydrophobicContact CG2-CB 4.14Å; E457-H460 PolarHBondContact N-ND1 3.27Å; E457-H460 WeakPolarHBondContact O-CB 3.39Å; E457-H460 PolarHBondContact O-N 3.33Å; E457-H460 PolarHBondContact O-ND1 3.11Å; S458-H460 PolarHBondContact O-N 3.44Å; S458-H460 VanDerWaalsContact O-N 3.15Å; H460-Q463 PolarHBondContact O-N 2.75Å; H460-A464 VanDerWaalsContact O-CB 3.29Å; H460-A464 WeakPolarHBondContact O-CB 3.47Å; H460-A464 PolarHBondContact O-N 2.88Å
461I98.8Very high98.1Very high0 Ų043.5 Ų43.50%020%0.201CC..Hα-helixtrans-62.1-47.4176.1-52.8-54.8000110.6F77 L385 E388 F389 L392 F449 I451 T456 E457 S458 Q463 A464 W465F77-I461 HydrophobicContact CE1-CD1 4.25Å; L385-I461 HydrophobicContact CB-CD1 4.18Å; L385-I461 HydrophobicContact CB-CG1 4.12Å; L385-I461 HydrophobicContact CD2-CG1 3.84Å; L385-I461 HydrophobicContact CG-CG1 4.49Å; E388-I461 HydrophobicContact CG-CG2 4.33Å; F389-I461 HydrophobicContact CB-CG2 3.71Å; F389-I461 HydrophobicContact CD2-CG2 3.96Å; F389-I461 HydrophobicContact CG-CG2 4.33Å; L392-I461 HydrophobicContact CD1-CG2 4.11Å; F449-I461 HydrophobicContact CE1-CD1 4Å; F449-I461 HydrophobicContact CZ-CD1 4.26Å; I451-I461 HydrophobicContact CD1-CD1 3.7Å; T456-I461 HydrophobicContact CG2-CD1 3.84Å; E457-I461 PolarHBondContact O-N 2.87Å; S458-I461 WeakPolarHBondContact O-CB 3.47Å; S458-I461 PolarHBondContact O-N 2.97Å; I461-Q463 PolarHBondContact O-N 3.45Å; I461-A464 PolarHBondContact O-N 3.46Å; I461-W465 WeakPolarHBondContact O-CB 3.48Å; I461-W465 PolarHBondContact O-N 2.77Å
462Q98.8Very high98.1Very high67 Ų6743.5 Ų43.531%0.31320%0.201SC..Hα-helixtrans-63.4-40.4178-63.8-66.7-23.400111.9E388 S458 R466E388-Q462 PolarHBondContact OE1-NE2 3.2Å; S458-Q462 VanDerWaalsContact O-CG 3.32Å; S458-Q462 WeakPolarHBondContact O-CG 3.41Å; S458-Q462 PolarHBondContact O-N 3Å; Q462-R466 WeakPolarHBondContact O-CB 3.49Å; Q462-R466 VanDerWaalsContact O-CG 3.27Å; Q462-R466 WeakPolarHBondContact O-CG 3.26Å; Q462-R466 PolarHBondContact O-N 2.89Å; Q462-R466 PolarHBondContact O-NE 3.45Å
463Q98.4Very high98.2Very high73 Ų7348 Ų4834%0.34122%0.219SC..Hα-helixtrans-66.7-48.1175.7-177.8172.8-6.600111.9R459 H460 I461 W465 R466 H467R459-Q463 WeakPolarHBondContact O-CB 3.24Å; R459-Q463 PolarHBondContact O-N 3.32Å; H460-Q463 PolarHBondContact O-N 2.75Å; I461-Q463 PolarHBondContact O-N 3.45Å; Q463-W465 VanDerWaalsContact C-N 3.29Å; Q463-W465 PolarHBondContact O-N 2.96Å; Q463-R466 PolarHBondContact O-N 3.36Å; Q463-H467 PolarHBondContact O-N 3.39Å
464A98.6Very high98.2Very high1 Ų151.5 Ų51.51%0.00824%0.235CC..Hα-helixtrans-58.3-43.6178.100000111.4F77 L434 F449 H460 I461 H467 I468F77-A464 HydrophobicContact CE2-CB 3.9Å; F77-A464 HydrophobicContact CZ-CB 4.29Å; L434-A464 HydrophobicContact CD1-CB 3.91Å; L434-A464 HydrophobicContact CD2-CB 3.68Å; L434-A464 HydrophobicContact CG-CB 4.48Å; F449-A464 HydrophobicContact CE2-CB 3.87Å; F449-A464 HydrophobicContact CZ-CB 3.96Å; H460-A464 VanDerWaalsContact O-CB 3.29Å; H460-A464 WeakPolarHBondContact O-CB 3.47Å; H460-A464 PolarHBondContact O-N 2.88Å; I461-A464 PolarHBondContact O-N 3.46Å; A464-H467 PolarHBondContact O-N 3.2Å; A464-I468 WeakPolarHBondContact O-CD1 3.34Å; A464-I468 VanDerWaalsContact O-CG1 3.25Å; A464-I468 WeakPolarHBondContact O-CG1 3.3Å; A464-I468 PolarHBondContact O-N 3.46Å
465W98.8Very high98.2Very high20 Ų2046.9 Ų46.98%0.07622%0.219CC..Hα-helixtrans-66.5-42.1177.4-177.7-117.9000113.4F389 L392 V393 D396 F399 F412 I461 Q463 H467 I468 T469F389-W465 HydrophobicContact CD2-CB 4.45Å; F389-W465 HydrophobicContact CE2-CB 4.22Å; F389-W465 HydrophobicContact CE2-CD2 4.42Å; F389-W465 AromaticContact CE2-CE3 3.73Å; F389-W465 HydrophobicContact CE2-CE3 3.73Å; F389-W465 AromaticContact CZ-CE3 3.91Å; F389-W465 HydrophobicContact CZ-CE3 3.91Å; F389-W465 HydrophobicContact CZ-CZ3 4.28Å; L392-W465 HydrophobicContact CB-CD2 4.15Å; L392-W465 HydrophobicContact CB-CG 3.88Å; L392-W465 HydrophobicContact CD1-CB 3.86Å; L392-W465 HydrophobicContact CD1-CG 3.97Å; L392-W465 HydrophobicContact CG-CG 4.42Å; L392-W465 WeakPolarHBondContact O-CZ2 3.29Å; V393-W465 HydrophobicContact CB-CH2 4.19Å; V393-W465 HydrophobicContact CB-CZ3 4.47Å; V393-W465 HydrophobicContact CG1-CH2 4.46Å; V393-W465 HydrophobicContact CG2-CE3 4.08Å; V393-W465 HydrophobicContact CG2-CH2 3.81Å; V393-W465 HydrophobicContact CG2-CZ2 4.46Å; V393-W465 HydrophobicContact CG2-CZ3 3.6Å; D396-W465 HydrophobicContact CB-CH2 4.44Å; D396-W465 HydrophobicContact CB-CZ2 3.76Å; F399-W465 HydrophobicContact CB-CH2 4.46Å; F399-W465 HydrophobicContact CD1-CH2 4.21Å; F399-W465 AromaticContact CD2-CH2 3.62Å; F399-W465 HydrophobicContact CD2-CH2 3.62Å; F399-W465 HydrophobicContact CD2-CZ2 4.26Å; F399-W465 HydrophobicContact CE1-CH2 4.31Å; F399-W465 HydrophobicContact CE1-CZ3 4.43Å; F399-W465 AromaticContact CE2-CH2 3.74Å; F399-W465 HydrophobicContact CE2-CH2 3.74Å; F399-W465 HydrophobicContact CE2-CZ2 4.37Å; F399-W465 HydrophobicContact CE2-CZ3 4.46Å; F399-W465 AromaticContact CG-CH2 3.86Å; F399-W465 HydrophobicContact CG-CH2 3.86Å; F399-W465 HydrophobicContact CZ-CH2 4.07Å; F399-W465 HydrophobicContact CZ-CZ3 4.37Å; F412-W465 HydrophobicContact CD2-CZ3 4.45Å; F412-W465 HydrophobicContact CE2-CZ3 4.2Å; I461-W465 WeakPolarHBondContact O-CB 3.48Å; I461-W465 PolarHBondContact O-N 2.77Å; Q463-W465 VanDerWaalsContact C-N 3.29Å; Q463-W465 PolarHBondContact O-N 2.96Å; W465-H467 VanDerWaalsContact C-N 3.28Å; W465-H467 PolarHBondContact O-N 3.36Å; W465-I468 HydrophobicContact CE3-CB 4.25Å; W465-I468 HydrophobicContact CE3-CG2 4.14Å; W465-I468 HydrophobicContact CZ3-CG2 3.9Å; W465-I468 PolarHBondContact O-N 3.38Å; W465-T469 HydrophobicContact CD2-CG2 3.76Å; W465-T469 HydrophobicContact CE3-CG2 4.17Å; W465-T469 HydrophobicContact CG-CG2 4.37Å; W465-T469 HydrophobicContact CH2-CG2 3.79Å; W465-T469 HydrophobicContact CZ2-CG2 3.33Å; W465-T469 HydrophobicContact CZ3-CG2 4.17Å; W465-T469 WeakPolarHBondContact O-CB 3.48Å; W465-T469 WeakPolarHBondContact O-CG2 3.41Å; W465-T469 PolarHBondContact O-N 2.89Å; W465-T469 PolarHBondContact O-OG1 3.42Å
466R98.7Very high98.2Very high159 Ų15947.6 Ų47.660%0.622%0.218SC*.Hα-helixtrans-57.7-43173.6-78.4-176.2-64.6161.41.3111.5Q462 Q463 T469 Q470Q462-R466 WeakPolarHBondContact O-CB 3.49Å; Q462-R466 VanDerWaalsContact O-CG 3.27Å; Q462-R466 WeakPolarHBondContact O-CG 3.26Å; Q462-R466 PolarHBondContact O-N 2.89Å; Q462-R466 PolarHBondContact O-NE 3.45Å; Q463-R466 PolarHBondContact O-N 3.36Å; R466-T469 WeakPolarHBondContact CA-OG1 3.05Å; R466-T469 PolarHBondContact O-N 3.46Å; R466-T469 PolarHBondContact O-OG1 3.03Å; R466-Q470 WeakPolarHBondContact O-CB 3.36Å; R466-Q470 PolarHBondContact O-N 3.34Å
467H98.4Very high97.9Very high27 Ų2754.1 Ų54.113%0.12525%0.249CC..Hα-helixtrans-64.8-47.6177.5-17051.4000112.5S431 E433 L434 Q463 A464 W465 T469 Q470 L471S431-H467 WeakPolarHBondContact CB-NE2 3.39Å; S431-H467 PolarHBondContact OG-NE2 2.99Å; E433-H467 IonicContact OE1-CE1 3.07Å; E433-H467 IonicContact OE2-CD2 3.36Å; E433-H467 IonicContact OE2-CE1 2.67Å; E433-H467 IonicContact OE2-CG 2.89Å; E433-H467 IonicContact OE2-ND1 3.04Å; E433-H467 IonicContact OE2-NE2 3.9Å; L434-H467 HydrophobicContact CD1-CB 4.37Å; Q463-H467 PolarHBondContact O-N 3.39Å; A464-H467 PolarHBondContact O-N 3.2Å; W465-H467 VanDerWaalsContact C-N 3.28Å; W465-H467 PolarHBondContact O-N 3.36Å; H467-T469 VanDerWaalsContact C-N 3.32Å; H467-T469 PolarHBondContact O-N 3.19Å; H467-Q470 PolarHBondContact O-N 2.85Å; H467-L471 WeakPolarHBondContact O-CG 3.37Å; H467-L471 PolarHBondContact O-N 2.85Å
468I98.8Very high97.4Very high0 Ų055.6 Ų55.60%026%0.256CS..Hα-helixtrans-58.5-44.3177.3-70.2163.2000111.1F389 F399 F412 I428 L434 L436 F449 A464 W465 A472F389-I468 HydrophobicContact CE2-CD1 4.18Å; F389-I468 HydrophobicContact CZ-CD1 4.13Å; F399-I468 HydrophobicContact CE1-CG2 4.23Å; F399-I468 HydrophobicContact CZ-CG2 4.11Å; F412-I468 HydrophobicContact CE2-CG2 4.03Å; F412-I468 HydrophobicContact CZ-CD1 4.13Å; F412-I468 HydrophobicContact CZ-CG2 4.35Å; I428-I468 HydrophobicContact CD1-CG1 4.07Å; L434-I468 HydrophobicContact CD1-CD1 4.13Å; L434-I468 HydrophobicContact CD1-CG1 3.92Å; L436-I468 HydrophobicContact CD2-CD1 4.49Å; F449-I468 HydrophobicContact CD2-CD1 4.43Å; F449-I468 HydrophobicContact CE2-CD1 4.42Å; A464-I468 WeakPolarHBondContact O-CD1 3.34Å; A464-I468 VanDerWaalsContact O-CG1 3.25Å; A464-I468 WeakPolarHBondContact O-CG1 3.3Å; A464-I468 PolarHBondContact O-N 3.46Å; W465-I468 HydrophobicContact CE3-CB 4.25Å; W465-I468 HydrophobicContact CE3-CG2 4.14Å; W465-I468 HydrophobicContact CZ3-CG2 3.9Å; W465-I468 PolarHBondContact O-N 3.38Å; I468-A472 VanDerWaalsContact O-CB 3.26Å; I468-A472 WeakPolarHBondContact O-CB 3.39Å; I468-A472 PolarHBondContact O-N 2.9Å
469T98.5Very high95.9Very high26 Ų2657.7 Ų57.716%0.1626%0.26CS..Hα-helixtrans-71.2-32.3-178.449.30000113.3R398 F399 W465 R466 H467 F473R398-T469 PolarHBondContact NH1-O 2.75Å; R398-T469 PolarHBondContact NH2-O 2.7Å; F399-T469 HydrophobicContact CE2-CG2 4.22Å; W465-T469 HydrophobicContact CD2-CG2 3.76Å; W465-T469 HydrophobicContact CE3-CG2 4.17Å; W465-T469 HydrophobicContact CG-CG2 4.37Å; W465-T469 HydrophobicContact CH2-CG2 3.79Å; W465-T469 HydrophobicContact CZ2-CG2 3.33Å; W465-T469 HydrophobicContact CZ3-CG2 4.17Å; W465-T469 WeakPolarHBondContact O-CB 3.48Å; W465-T469 WeakPolarHBondContact O-CG2 3.41Å; W465-T469 PolarHBondContact O-N 2.89Å; W465-T469 PolarHBondContact O-OG1 3.42Å; R466-T469 WeakPolarHBondContact CA-OG1 3.05Å; R466-T469 PolarHBondContact O-N 3.46Å; R466-T469 PolarHBondContact O-OG1 3.03Å; H467-T469 VanDerWaalsContact C-N 3.32Å; H467-T469 PolarHBondContact O-N 3.19Å; T469-F473 WeakPolarHBondContact O-CB 3.48Å; T469-F473 PolarHBondContact O-N 3.36Å
470Q98.4Very high93.9Very high94 Ų9457.9 Ų57.944%0.43928%0.276SS..Hα-helixtrans-65.7-51.7172178.958.831.900111.1R466 H467 A472 F473 E474R466-Q470 WeakPolarHBondContact O-CB 3.36Å; R466-Q470 PolarHBondContact O-N 3.34Å; H467-Q470 PolarHBondContact O-N 2.85Å; Q470-A472 VanDerWaalsContact C-N 3.27Å; Q470-A472 PolarHBondContact O-N 3.29Å; Q470-F473 WeakPolarHBondContact O-CB 3.26Å; Q470-F473 PolarHBondContact O-N 3.23Å; Q470-E474 PolarHBondContact NE2-OE1 3.1Å; Q470-E474 PolarHBondContact O-N 3.34Å
471L98.2Very high91.5Very high15 Ų1570.5 Ų70.58%0.07934%0.335CS..Hα-helixtrans-61.9-35.9177.4-68.2177.6000112.3L424 K427 I428 H467 L475L424-L471 HydrophobicContact CD1-CB 4.12Å; K427-L471 HydrophobicContact CB-CD1 4.44Å; K427-L471 HydrophobicContact CB-CD2 4.41Å; I428-L471 HydrophobicContact CB-CD1 4.34Å; I428-L471 HydrophobicContact CG1-CD1 3.71Å; H467-L471 WeakPolarHBondContact O-CG 3.37Å; H467-L471 PolarHBondContact O-N 2.85Å; L471-L475 VanDerWaalsContact O-CB 3.3Å; L471-L475 WeakPolarHBondContact O-CB 3.32Å; L471-L475 PolarHBondContact O-N 2.72Å
472A98.1Very high91.1Very high0 Ų074.1 Ų74.10%035%0.352CS..Hα-helixtrans-67.1-37.7173.400000112.5F399 L414 L424 I468 Q470 L476F399-A472 HydrophobicContact CE2-CB 4.19Å; F399-A472 HydrophobicContact CZ-CB 3.61Å; L414-A472 HydrophobicContact CD1-CB 4.1Å; L414-A472 HydrophobicContact CD2-CB 4.18Å; L424-A472 HydrophobicContact CD1-CB 4.07Å; I468-A472 VanDerWaalsContact O-CB 3.26Å; I468-A472 WeakPolarHBondContact O-CB 3.39Å; I468-A472 PolarHBondContact O-N 2.9Å; Q470-A472 VanDerWaalsContact C-N 3.27Å; Q470-A472 PolarHBondContact O-N 3.29Å; A472-L476 WeakPolarHBondContact O-CB 3.48Å; A472-L476 VanDerWaalsContact O-CG 3.23Å; A472-L476 WeakPolarHBondContact O-CG 3.39Å; A472-L476 PolarHBondContact O-N 2.88Å; A472-L476 VanDerWaalsContact O-N 3.11Å
473F97.8Very high90.7Very high104 Ų10474.4 Ų74.446%0.45635%0.354SS..Hα-helixtrans-62.7-49.6174.5176.8-96.8000111.1T469 Q470 L475 L476 Q477T469-F473 WeakPolarHBondContact O-CB 3.48Å; T469-F473 PolarHBondContact O-N 3.36Å; Q470-F473 WeakPolarHBondContact O-CB 3.26Å; Q470-F473 PolarHBondContact O-N 3.23Å; F473-L475 VanDerWaalsContact C-N 3.35Å; F473-L475 PolarHBondContact O-N 3.3Å; F473-L476 PolarHBondContact O-N 3.16Å; F473-Q477 HydrophobicContact CD1-CG 4.46Å; F473-Q477 HydrophobicContact CE1-CG 4.07Å; F473-Q477 HydrophobicContact CE2-CG 4.48Å; F473-Q477 HydrophobicContact CZ-CG 4.08Å; F473-Q477 WeakPolarHBondContact O-CG 3.1Å; F473-Q477 PolarHBondContact O-N 3.36Å
474E96.8Very high90.3Very high76 Ų7674.5 Ų74.536%0.35535%0.354SS..Hα-helixtrans-58-46.2177.2-69.1167.2-166.700112Q470 L476 Q477 E478Q470-E474 PolarHBondContact NE2-OE1 3.1Å; Q470-E474 PolarHBondContact O-N 3.34Å; E474-L476 VanDerWaalsContact C-N 3.31Å; E474-L476 PolarHBondContact O-N 2.64Å; E474-Q477 PolarHBondContact O-N 2.85Å; E474-E478 WeakPolarHBondContact O-CG 3.5Å; E474-E478 PolarHBondContact O-N 2.97Å
475L96.7Very high89.8Confident9 Ų978.8 Ų78.85%0.04738%0.375CS..Hα-helixtrans-60.8-37.9178.9-179.463.8000112.9L420 N423 L424 K427 L471 F473 Q477 E478L420-L475 HydrophobicContact CD1-CD2 3.64Å; L420-L475 HydrophobicContact CD1-CG 3.88Å; L420-L475 HydrophobicContact CG-CD2 4.47Å; L420-L475 WeakPolarHBondContact O-CD2 3.21Å; N423-L475 HydrophobicContact CB-CD1 3.93Å; N423-L475 HydrophobicContact CB-CD2 4.21Å; L424-L475 HydrophobicContact CB-CD2 3.83Å; K427-L475 HydrophobicContact CD-CB 4.12Å; K427-L475 HydrophobicContact CD-CD1 4.26Å; L471-L475 VanDerWaalsContact O-CB 3.3Å; L471-L475 WeakPolarHBondContact O-CB 3.32Å; L471-L475 PolarHBondContact O-N 2.72Å; F473-L475 VanDerWaalsContact C-N 3.35Å; F473-L475 PolarHBondContact O-N 3.3Å; L475-Q477 VanDerWaalsContact C-N 3.33Å; L475-E478 PolarHBondContact O-N 3.48Å
476L94.8Very high89.2Confident62 Ų6282.5 Ų82.533%0.32539%0.393SS..Hα-helixtrans-75-22.9179.7-70.1170.3000112.8L420 A472 F473 E474L420-L476 HydrophobicContact CD1-CD2 4.16Å; L420-L476 HydrophobicContact CD2-CD2 4.22Å; A472-L476 WeakPolarHBondContact O-CB 3.48Å; A472-L476 VanDerWaalsContact O-CG 3.23Å; A472-L476 WeakPolarHBondContact O-CG 3.39Å; A472-L476 PolarHBondContact O-N 2.88Å; A472-L476 VanDerWaalsContact O-N 3.11Å; F473-L476 PolarHBondContact O-N 3.16Å; E474-L476 VanDerWaalsContact C-N 3.31Å; E474-L476 PolarHBondContact O-N 2.64Å
477Q92.3Very high88.6Confident137 Ų13777.4 Ų77.464%0.6438%0.38SS*.Hα-helixtrans-78.6-24172.5-65.2-65.2-32.700112.5F473 E474 L475 Q479F473-Q477 HydrophobicContact CD1-CG 4.46Å; F473-Q477 HydrophobicContact CE1-CG 4.07Å; F473-Q477 HydrophobicContact CE2-CG 4.48Å; F473-Q477 HydrophobicContact CZ-CG 4.08Å; F473-Q477 WeakPolarHBondContact O-CG 3.1Å; F473-Q477 PolarHBondContact O-N 3.36Å; E474-Q477 PolarHBondContact O-N 2.85Å; L475-Q477 VanDerWaalsContact C-N 3.33Å; Q477-Q479 VanDerWaalsContact C-N 3.32Å
478E87.9Confident87.9Confident120 Ų12081 Ų8156%0.56140%0.398SS*.SBendtrans-77.3-14.4178.5-72.5170-176.500113.5K427 E474 L475 P480K427-E478 WeakPolarHBondContact CE-OE2 3.36Å; K427-E478 IonicContact NZ-OE1 2.96Å; K427-E478 PolarHBondContact NZ-OE1 2.9Å; K427-E478 IonicContact NZ-OE2 2.63Å; K427-E478 PolarHBondContact NZ-OE2 2.65Å; E474-E478 WeakPolarHBondContact O-CG 3.5Å; E474-E478 PolarHBondContact O-N 2.97Å; L475-E478 PolarHBondContact O-N 3.48Å; E478-P480 WeakPolarHBondContact O-CD 3.43Å
479Q67.6Low87.1Confident100 Ų10087.2 Ų87.247%0.46743%0.428SS..SBendtrans-80.5121.8177.7-66.2-155.1-22.500110.5Q477 H481Q477-Q479 VanDerWaalsContact C-N 3.32Å; Q479-H481 PolarHBondContact O-N 3.46Å
480P56.1Low86.1Confident124 Ų12492.3 Ų92.381%0.80545%0.451SS*.  trans-62.2136.8173.210.1-6.7000110E478E478-P480 WeakPolarHBondContact O-CD 3.43Å
481H48.6Very low85Confident267 Ų26792.2 Ų92.2100%1.23645%0.452SS*.  trans-54.10176.2-77.5-53.2000113.9Q479Q479-H481 PolarHBondContact O-N 3.46Å

Retrieved 481 of 481 residues in 366.5 ms (Link to these results)

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