A0A087X6E0_POEFO Loading...

Cytoplasmic 60S subunit biogenesis factor ZNF622

Pre-60S-associated cytoplasmic factor involved in the cytoplasmic maturation of the 60S subunit.

AlphaFold DB , UniProt , Accession A0A087X6E0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 454 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
1M52.8Low78Confident246 Ų24690.4 Ų90.4100%1.21248%0.475SS*.  0125.60-65.3-175.5-174.500107.5S3M1-S3 PolarHBondContact O-N 3.33Å
2A59.5Low78.5Confident74 Ų7488.8 Ų88.861%0.61249%0.485SS*.  trans-72.8121.5179.400000109.2
3S74.1Confident79.2Confident93 Ų9384.5 Ų84.565%0.6546%0.458SS*.  trans-84.5114.8174.756.70000109.6M1M1-S3 PolarHBondContact O-N 3.33Å
4Y83.3Confident79.5Confident95 Ų9584.5 Ų84.537%0.37348%0.476SS..EExtended strand (participates in β ladder)trans-78.3123174.9-62.7-82.6000109A12 F13 G16Y4-A12 CarbonylContact O-C 3.34Å; Y4-A12 WeakPolarHBondContact O-CA 3.33Å; Y4-F13 PolarHBondContact O-N 3.06Å; Y4-G16 VanDerWaalsContact CD2-N 3.33Å
5T86.8Confident80Confident67 Ų6785.3 Ų85.341%0.41148%0.479SS..EExtended strand (participates in β ladder)trans-131.7150.9-176.762.30000111.6V11 A12 Q19T5-V11 CarbonylContact C-O 3.5Å; T5-V11 WeakPolarHBondContact CA-O 3.4Å; T5-A12 HydrophobicContact CG2-CB 3.93Å; T5-Q19 PolarHBondContact O-NE2 3.19Å
6C86.8Confident80.3Confident2 Ų280.9 Ų80.91%0.01446%0.458CS..EExtended strand (participates in β ladder)trans-112.4114.9173175.70000110.2S8 C9 R10 V11 F13 H22 H28C6-S8 VanDerWaalsContact C-N 3.34Å; C6-S8 PolarHBondContact O-N 3.1Å; C6-C9 HydrophobicContact CB-CB 4.48Å; C6-C9 PolarHBondContact O-N 3.09Å; C6-C9 PolarHBondContact SG-N 2.75Å; C6-R10 VanDerWaalsContact O-CA 3.31Å; C6-R10 WeakPolarHBondContact O-CA 3.5Å; C6-R10 PolarHBondContact O-N 3.32Å; C6-V11 PolarHBondContact N-O 2.72Å; C6-V11 PolarHBondContact O-N 3.25Å; C6-F13 HydrophobicContact CB-CE2 3.93Å; C6-H22 PolarHBondContact SG-NE2 3.45Å; C6-H28 PolarHBondContact SG-CE1 2.78Å; C6-H28 PolarHBondContact SG-ND1 3.25Å
7I83.3Confident80.6Confident138 Ų13884.6 Ų84.671%0.70847%0.471SS*.THydrogen-bonded Turntrans-68.5-34.3-177.2-60.2167000111.6
8S80.6Confident80.9Confident18 Ų1883.8 Ų83.813%0.12647%0.468CS..THydrogen-bonded Turntrans-73.4-29.4-178.3-58.30000112.9C6C6-S8 VanDerWaalsContact C-N 3.34Å; C6-S8 PolarHBondContact O-N 3.1Å
9C81.7Confident81.1Confident11 Ų1181.3 Ų81.37%0.07445%0.452CS..THydrogen-bonded Turntrans-108.5-6.7-179.8-58.40000113.7C6 V11 H22 W27C6-C9 HydrophobicContact CB-CB 4.48Å; C6-C9 PolarHBondContact O-N 3.09Å; C6-C9 PolarHBondContact SG-N 2.75Å; C9-V11 VanDerWaalsContact C-N 3.33Å; C9-V11 HydrophobicContact CB-CG2 3.91Å; C9-V11 WeakPolarHBondContact O-CG2 3.35Å; C9-V11 PolarHBondContact O-N 3.03Å; C9-H22 PolarHBondContact SG-CE1 3.37Å; C9-H22 PolarHBondContact SG-NE2 3.23Å; C9-H22 VanDerWaalsContact SG-NE2 3.4Å; C9-W27 HydrophobicContact CB-CH2 3.73Å; C9-W27 HydrophobicContact CB-CZ2 4.05Å; C9-W27 HydrophobicContact CB-CZ3 3.98Å
10R83.3Confident81.4Confident204 Ų20485.3 Ų85.377%0.7746%0.46SS*.THydrogen-bonded Turntrans54.842.6-178.5-58-179.1178.7165.5-1.4113.4C6C6-R10 VanDerWaalsContact O-CA 3.31Å; C6-R10 WeakPolarHBondContact O-CA 3.5Å; C6-R10 PolarHBondContact O-N 3.32Å
11V85.4Confident81.7Confident46 Ų4684 Ų8428%0.27946%0.461SS..EExtended strand (participates in β ladder)trans-118.4145.6179.3-159.20000110.5T5 C6 C9 F13 W27T5-V11 CarbonylContact C-O 3.5Å; T5-V11 WeakPolarHBondContact CA-O 3.4Å; C6-V11 PolarHBondContact N-O 2.72Å; C6-V11 PolarHBondContact O-N 3.25Å; C9-V11 VanDerWaalsContact C-N 3.33Å; C9-V11 HydrophobicContact CB-CG2 3.91Å; C9-V11 WeakPolarHBondContact O-CG2 3.35Å; C9-V11 PolarHBondContact O-N 3.03Å; V11-F13 HydrophobicContact CB-CE2 4.38Å; V11-F13 HydrophobicContact CB-CZ 4.07Å; V11-F13 HydrophobicContact CG1-CE1 4.17Å; V11-F13 HydrophobicContact CG1-CZ 4.22Å; V11-W27 HydrophobicContact CG2-CH2 3.28Å; V11-W27 HydrophobicContact CG2-CZ2 4.38Å; V11-W27 HydrophobicContact CG2-CZ3 3.76Å
12A85.1Confident83.4Confident71 Ų7172.7 Ų72.759%0.58741%0.405SS*.EExtended strand (participates in β ladder)trans-104137.7167.600000110.3Y4 T5Y4-A12 CarbonylContact O-C 3.34Å; Y4-A12 WeakPolarHBondContact O-CA 3.33Å; T5-A12 HydrophobicContact CG2-CB 3.93Å
13F86.8Confident84.8Confident33 Ų3374 Ų7415%0.14540%0.395CS..EExtended strand (participates in β ladder)trans-113147.5177.5-57.7-72.8000109.5Y4 C6 V11 V18 Q19 H22Y4-F13 PolarHBondContact O-N 3.06Å; C6-F13 HydrophobicContact CB-CE2 3.93Å; V11-F13 HydrophobicContact CB-CE2 4.38Å; V11-F13 HydrophobicContact CB-CZ 4.07Å; V11-F13 HydrophobicContact CG1-CE1 4.17Å; V11-F13 HydrophobicContact CG1-CZ 4.22Å; F13-V18 HydrophobicContact CB-CB 4.47Å; F13-V18 HydrophobicContact CB-CG1 4.47Å; F13-V18 HydrophobicContact CD1-CB 4.4Å; F13-V18 HydrophobicContact CD1-CG1 3.58Å; F13-V18 HydrophobicContact CE1-CG1 4.17Å; F13-V18 HydrophobicContact CG-CG1 4.27Å; F13-Q19 HydrophobicContact CD2-CB 3.95Å; F13-Q19 HydrophobicContact CD2-CG 3.96Å; F13-Q19 HydrophobicContact CE2-CG 4.34Å; F13-Q19 HydrophobicContact CG-CB 4.46Å; F13-H22 HydrophobicContact CE1-CB 4.1Å; F13-H22 HydrophobicContact CE2-CB 4.05Å; F13-H22 AromaticContact CE2-CD2 3.71Å; F13-H22 AromaticContact CE2-CG 3.89Å; F13-H22 HydrophobicContact CZ-CB 3.55Å; F13-H22 AromaticContact CZ-CD2 3.58Å; F13-H22 AromaticContact CZ-CG 3.34Å; F13-H22 AromaticContact CZ-ND1 3.82Å
14A83.1Confident85.5Confident85 Ų8577.4 Ų77.470%0.70240%0.398SS*.SBendtrans-69.3-42174.900000111.2
15D87.1Confident85.7Confident97 Ų9775.7 Ų75.752%0.51940%0.398SS..SBendtrans-122.7150.3-172.7-56-55000113E17 V18 Q19D15-E17 VanDerWaalsContact C-N 3.26Å; D15-E17 PolarHBondContact O-N 3.48Å; D15-V18 HydrophobicContact CB-CG2 4.21Å; D15-V18 PolarHBondContact O-N 2.83Å; D15-Q19 PolarHBondContact O-N 2.99Å
16G84.8Confident85.6Confident15 Ų1577.5 Ų77.516%0.15541%0.405CS..Hα-helixtrans-69.3-22.3176.700000113.7Y4 R20Y4-G16 VanDerWaalsContact CD2-N 3.33Å; G16-R20 WeakPolarHBondContact O-CG 3.2Å; G16-R20 PolarHBondContact O-N 3.4Å; G16-R20 VanDerWaalsContact O-N 3.13Å
17E85.3Confident85.6Confident144 Ų14479 Ų7967%0.67341%0.41SS*.Hα-helixtrans-69.6-43.7173.8-69.2-175.5177.100111.8D15 Q19 R20 A21D15-E17 VanDerWaalsContact C-N 3.26Å; D15-E17 PolarHBondContact O-N 3.48Å; E17-Q19 VanDerWaalsContact C-N 3.27Å; E17-Q19 PolarHBondContact O-N 3.34Å; E17-R20 PolarHBondContact O-N 2.87Å; E17-R20 VanDerWaalsContact O-N 3.16Å; E17-A21 PolarHBondContact O-N 3.19Å
18V86.1Confident85.7Confident70 Ų7073.1 Ų73.142%0.42438%0.38SS..Hα-helixtrans-63.9-36.1175.7-1770000110.8F13 D15 A21 H22F13-V18 HydrophobicContact CB-CB 4.47Å; F13-V18 HydrophobicContact CB-CG1 4.47Å; F13-V18 HydrophobicContact CD1-CB 4.4Å; F13-V18 HydrophobicContact CD1-CG1 3.58Å; F13-V18 HydrophobicContact CE1-CG1 4.17Å; F13-V18 HydrophobicContact CG-CG1 4.27Å; D15-V18 HydrophobicContact CB-CG2 4.21Å; D15-V18 PolarHBondContact O-N 2.83Å; V18-A21 PolarHBondContact O-N 3.49Å; V18-H22 WeakPolarHBondContact O-CB 3.48Å; V18-H22 PolarHBondContact O-N 3.24Å
19Q85.3Confident86Confident35 Ų3578.6 Ų78.616%0.16440%0.398CS..Hα-helixtrans-63.1-44173.9-166.9-166.333.800112T5 F13 D15 E17 H22 Y23T5-Q19 PolarHBondContact O-NE2 3.19Å; F13-Q19 HydrophobicContact CD2-CB 3.95Å; F13-Q19 HydrophobicContact CD2-CG 3.96Å; F13-Q19 HydrophobicContact CE2-CG 4.34Å; F13-Q19 HydrophobicContact CG-CB 4.46Å; D15-Q19 PolarHBondContact O-N 2.99Å; E17-Q19 VanDerWaalsContact C-N 3.27Å; E17-Q19 PolarHBondContact O-N 3.34Å; Q19-H22 WeakPolarHBondContact O-CB 3.18Å; Q19-H22 PolarHBondContact O-N 3.31Å; Q19-Y23 HydrophobicContact CG-CD2 4.38Å; Q19-Y23 HydrophobicContact CG-CE2 3.76Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.39Å; Q19-Y23 PolarHBondContact O-N 3.08Å
20R87.3Confident86.1Confident162 Ų16281.6 Ų81.661%0.61141%0.408SS*.Hα-helixtrans-65.1-41.1176.4-75.1-175.2-74.8168.6-2.3112.1G16 E17 H22 Y23G16-R20 WeakPolarHBondContact O-CG 3.2Å; G16-R20 PolarHBondContact O-N 3.4Å; G16-R20 VanDerWaalsContact O-N 3.13Å; E17-R20 PolarHBondContact O-N 2.87Å; E17-R20 VanDerWaalsContact O-N 3.16Å; R20-H22 VanDerWaalsContact C-N 3.35Å; R20-Y23 PolarHBondContact O-N 2.92Å
21A87.6Confident86.2Confident57 Ų5771.9 Ų71.947%0.47137%0.371SS..Hα-helixtrans-62.3-42.5173.800000111.3E17 V18 Y23 K24 T25E17-A21 PolarHBondContact O-N 3.19Å; V18-A21 PolarHBondContact O-N 3.49Å; A21-Y23 VanDerWaalsContact C-N 3.34Å; A21-Y23 PolarHBondContact O-N 2.78Å; A21-K24 WeakPolarHBondContact O-CB 3.39Å; A21-K24 PolarHBondContact O-N 3.49Å; A21-T25 PolarHBondContact O-N 3.14Å
22H89.3Confident86.2Confident10 Ų1073.4 Ų73.45%0.04638%0.377CS..Hα-helixtrans-57.4-42.1177.2168.867.4000112.8C6 C9 F13 V18 Q19 R20 K24 T25 W27 H28C6-H22 PolarHBondContact SG-NE2 3.45Å; C9-H22 PolarHBondContact SG-CE1 3.37Å; C9-H22 PolarHBondContact SG-NE2 3.23Å; C9-H22 VanDerWaalsContact SG-NE2 3.4Å; F13-H22 HydrophobicContact CE1-CB 4.1Å; F13-H22 HydrophobicContact CE2-CB 4.05Å; F13-H22 AromaticContact CE2-CD2 3.71Å; F13-H22 AromaticContact CE2-CG 3.89Å; F13-H22 HydrophobicContact CZ-CB 3.55Å; F13-H22 AromaticContact CZ-CD2 3.58Å; F13-H22 AromaticContact CZ-CG 3.34Å; F13-H22 AromaticContact CZ-ND1 3.82Å; V18-H22 WeakPolarHBondContact O-CB 3.48Å; V18-H22 PolarHBondContact O-N 3.24Å; Q19-H22 WeakPolarHBondContact O-CB 3.18Å; Q19-H22 PolarHBondContact O-N 3.31Å; R20-H22 VanDerWaalsContact C-N 3.35Å; H22-K24 PolarHBondContact O-N 2.86Å; H22-K24 VanDerWaalsContact O-N 3.15Å; H22-T25 WeakPolarHBondContact O-CB 3.47Å; H22-T25 PolarHBondContact O-N 2.83Å; H22-T25 PolarHBondContact O-OG1 3.12Å; H22-W27 AromaticContact CE1-CE3 3.24Å; H22-W27 AromaticContact CE1-CZ3 3.29Å; H22-W27 WeakPolarHBondContact CE1-CZ3 3.41Å; H22-W27 AromaticContact ND1-CE3 3.54Å; H22-W27 AromaticContact ND1-CZ3 3.68Å; H22-H28 AromaticContact CD2-ND1 3.68Å; H22-H28 AromaticContact CE1-ND1 3.83Å; H22-H28 AromaticContact NE2-CG 3.78Å; H22-H28 AromaticContact NE2-ND1 3.07Å; H22-H28 PolarHBondContact NE2-ND1 3.17Å; H22-H28 WeakPolarHBondContact O-CB 3.32Å
23Y86.9Confident86.2Confident102 Ų10277.6 Ų77.640%0.438%0.382SS..Hα-helixtrans-60.2-24.2177.6-75.4-63.4000113.9Q19 R20 A21 H28Q19-Y23 HydrophobicContact CG-CD2 4.38Å; Q19-Y23 HydrophobicContact CG-CE2 3.76Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.39Å; Q19-Y23 PolarHBondContact O-N 3.08Å; R20-Y23 PolarHBondContact O-N 2.92Å; A21-Y23 VanDerWaalsContact C-N 3.34Å; A21-Y23 PolarHBondContact O-N 2.78Å; Y23-H28 AromaticContact CD1-CD2 3.72Å; Y23-H28 AromaticContact CD1-CE1 3.4Å; Y23-H28 VanDerWaalsContact CD1-CE1 3.4Å; Y23-H28 WeakPolarHBondContact CD1-CE1 3.19Å; Y23-H28 AromaticContact CD1-ND1 3.89Å; Y23-H28 AromaticContact CD1-NE2 3.3Å; Y23-H28 VanDerWaalsContact CD1-NE2 3.3Å; Y23-H28 WeakPolarHBondContact CD1-NE2 3.36Å; Y23-H28 AromaticContact CE1-CE1 3.39Å; Y23-H28 WeakPolarHBondContact CE1-CE1 3.47Å; Y23-H28 AromaticContact CE1-NE2 3.62Å
24K89.3Confident86.1Confident163 Ų16378.1 Ų78.171%0.70938%0.383SS*.Hα-helixtrans-84.6-17.5176.1-61.7-178.1-179.5-177.20113.3A21 H22A21-K24 WeakPolarHBondContact O-CB 3.39Å; A21-K24 PolarHBondContact O-N 3.49Å; H22-K24 PolarHBondContact O-N 2.86Å; H22-K24 VanDerWaalsContact O-N 3.15Å
25T87.6Confident86.2Confident59 Ų5979.1 Ų79.136%0.36237%0.372SS..SBendtrans-70.7147.3-177.365.50000112.8A21 H22 W27 H28 R29A21-T25 PolarHBondContact O-N 3.14Å; H22-T25 WeakPolarHBondContact O-CB 3.47Å; H22-T25 PolarHBondContact O-N 2.83Å; H22-T25 PolarHBondContact O-OG1 3.12Å; T25-W27 PolarHBondContact O-N 3.25Å; T25-H28 PolarHBondContact O-N 2.93Å; T25-H28 VanDerWaalsContact O-N 3.12Å; T25-H28 PolarHBondContact OG1-N 3.09Å; T25-R29 PolarHBondContact O-N 3.38Å
26D84.2Confident86.1Confident105 Ų10580.2 Ų80.256%0.56138%0.382SS*.Hα-helixtrans-64.1-25.3176.9-67-34.5000112.8R29 Y30 F47D26-R29 PolarHBondContact O-N 3.03Å; D26-R29 IonicContact OD1-NH1 2.76Å; D26-R29 PolarHBondContact OD1-NH1 2.78Å; D26-Y30 WeakPolarHBondContact O-CB 2.99Å; D26-Y30 PolarHBondContact O-N 3.49Å; D26-F47 HydrophobicContact CB-CZ 4.16Å
27W86.8Confident86.1Confident35 Ų3582 Ų8213%0.13340%0.396CS..Hα-helixtrans-63.2-43173.2-179.454.5000112.4C9 V11 H22 T25 Y30 N31 V42 A44 F47C9-W27 HydrophobicContact CB-CH2 3.73Å; C9-W27 HydrophobicContact CB-CZ2 4.05Å; C9-W27 HydrophobicContact CB-CZ3 3.98Å; V11-W27 HydrophobicContact CG2-CH2 3.28Å; V11-W27 HydrophobicContact CG2-CZ2 4.38Å; V11-W27 HydrophobicContact CG2-CZ3 3.76Å; H22-W27 AromaticContact CE1-CE3 3.24Å; H22-W27 AromaticContact CE1-CZ3 3.29Å; H22-W27 WeakPolarHBondContact CE1-CZ3 3.41Å; H22-W27 AromaticContact ND1-CE3 3.54Å; H22-W27 AromaticContact ND1-CZ3 3.68Å; T25-W27 PolarHBondContact O-N 3.25Å; W27-Y30 PolarHBondContact O-N 2.85Å; W27-N31 VanDerWaalsContact CE2-ND2 3.35Å; W27-N31 PolarHBondContact NE1-ND2 2.91Å; W27-N31 VanDerWaalsContact NE1-ND2 3.1Å; W27-N31 PolarHBondContact O-N 3.24Å; W27-V42 PolarHBondContact NE1-O 3.38Å; W27-A44 HydrophobicContact CD2-CB 4.47Å; W27-A44 HydrophobicContact CH2-CB 4.26Å; W27-A44 HydrophobicContact CZ2-CB 4.05Å; W27-F47 HydrophobicContact CB-CD1 3.82Å; W27-F47 HydrophobicContact CB-CE1 3.85Å; W27-F47 HydrophobicContact CB-CG 4.38Å; W27-F47 HydrophobicContact CB-CZ 4.43Å; W27-F47 AromaticContact CD1-CD1 3.74Å; W27-F47 AromaticContact CD1-CG 3.5Å; W27-F47 VanDerWaalsContact CD1-CG 3.5Å; W27-F47 HydrophobicContact CG-CD1 4.09Å; W27-F47 HydrophobicContact CG-CG 4.29Å
28H85.7Confident85.9Confident13 Ų1382.7 Ų82.76%0.0640%0.403CS..Hα-helixtrans-64.3-46.7175.7-175.777.4000111.4C6 H22 Y23 T25 Y30 N31 L32C6-H28 PolarHBondContact SG-CE1 2.78Å; C6-H28 PolarHBondContact SG-ND1 3.25Å; H22-H28 AromaticContact CD2-ND1 3.68Å; H22-H28 AromaticContact CE1-ND1 3.83Å; H22-H28 AromaticContact NE2-CG 3.78Å; H22-H28 AromaticContact NE2-ND1 3.07Å; H22-H28 PolarHBondContact NE2-ND1 3.17Å; H22-H28 WeakPolarHBondContact O-CB 3.32Å; Y23-H28 AromaticContact CD1-CD2 3.72Å; Y23-H28 AromaticContact CD1-CE1 3.4Å; Y23-H28 VanDerWaalsContact CD1-CE1 3.4Å; Y23-H28 WeakPolarHBondContact CD1-CE1 3.19Å; Y23-H28 AromaticContact CD1-ND1 3.89Å; Y23-H28 AromaticContact CD1-NE2 3.3Å; Y23-H28 VanDerWaalsContact CD1-NE2 3.3Å; Y23-H28 WeakPolarHBondContact CD1-NE2 3.36Å; Y23-H28 AromaticContact CE1-CE1 3.39Å; Y23-H28 WeakPolarHBondContact CE1-CE1 3.47Å; Y23-H28 AromaticContact CE1-NE2 3.62Å; T25-H28 PolarHBondContact O-N 2.93Å; T25-H28 VanDerWaalsContact O-N 3.12Å; T25-H28 PolarHBondContact OG1-N 3.09Å; H28-Y30 VanDerWaalsContact C-N 3.3Å; H28-Y30 PolarHBondContact O-N 3.18Å; H28-N31 PolarHBondContact O-N 2.99Å; H28-L32 VanDerWaalsContact O-CB 3.31Å; H28-L32 WeakPolarHBondContact O-CB 3.4Å; H28-L32 PolarHBondContact O-N 3.43Å
29R87.4Confident85.5Confident134 Ų13483.6 Ų83.651%0.50640%0.404SS..Hα-helixtrans-60.4-40.2177.4-66.3173173.9171.2-5.8111.9T25 D26 L32 K33T25-R29 PolarHBondContact O-N 3.38Å; D26-R29 PolarHBondContact O-N 3.03Å; D26-R29 IonicContact OD1-NH1 2.76Å; D26-R29 PolarHBondContact OD1-NH1 2.78Å; R29-L32 PolarHBondContact O-N 3.33Å; R29-K33 WeakPolarHBondContact O-CG 3.46Å; R29-K33 PolarHBondContact O-N 2.67Å
30Y84.2Confident85.4Confident73 Ų7386.5 Ų86.529%0.28643%0.426SS..Hα-helixtrans-65.2-47.9177.7-177.3-104.4000112D26 W27 H28 L32 K33 R34 V42 F47D26-Y30 WeakPolarHBondContact O-CB 2.99Å; D26-Y30 PolarHBondContact O-N 3.49Å; W27-Y30 PolarHBondContact O-N 2.85Å; H28-Y30 VanDerWaalsContact C-N 3.3Å; H28-Y30 PolarHBondContact O-N 3.18Å; Y30-L32 VanDerWaalsContact C-N 3.33Å; Y30-L32 PolarHBondContact O-N 3.1Å; Y30-K33 PolarHBondContact O-N 3.28Å; Y30-R34 HydrophobicContact CE1-CG 4.34Å; Y30-R34 WeakPolarHBondContact O-CG 3.45Å; Y30-R34 PolarHBondContact O-N 3.37Å; Y30-R34 PolarHBondContact OH-NH1 3.48Å; Y30-V42 HydrophobicContact CE1-CB 4.31Å; Y30-V42 HydrophobicContact CE1-CG2 4.08Å; Y30-F47 AromaticContact CD1-CD2 3.66Å; Y30-F47 HydrophobicContact CD1-CD2 3.66Å; Y30-F47 AromaticContact CD1-CE2 3.89Å; Y30-F47 HydrophobicContact CD1-CE2 3.89Å; Y30-F47 HydrophobicContact CD2-CE2 4.23Å; Y30-F47 HydrophobicContact CE1-CD2 4.16Å; Y30-F47 AromaticContact CG-CD2 3.96Å; Y30-F47 HydrophobicContact CG-CD2 3.96Å; Y30-F47 AromaticContact CG-CE2 3.68Å; Y30-F47 HydrophobicContact CG-CE2 3.68Å
31N85.6Confident85.2Confident1 Ų180.9 Ų80.91%0.00541%0.41CS..Hα-helixtrans-67.5-32.5176.9-82.9-25.1000112.9W27 H28 R34 K35 V42W27-N31 VanDerWaalsContact CE2-ND2 3.35Å; W27-N31 PolarHBondContact NE1-ND2 2.91Å; W27-N31 VanDerWaalsContact NE1-ND2 3.1Å; W27-N31 PolarHBondContact O-N 3.24Å; H28-N31 PolarHBondContact O-N 2.99Å; N31-R34 PolarHBondContact O-N 3.15Å; N31-K35 WeakPolarHBondContact O-CB 3.19Å; N31-K35 PolarHBondContact O-N 3.44Å; N31-V42 PolarHBondContact ND2-O 3.49Å; N31-V42 PolarHBondContact OD1-N 3.39Å; N31-V42 PolarHBondContact OD1-O 3.1Å
32L85.6Confident85.1Confident77 Ų7778.9 Ų78.940%0.40339%0.392SS..Hα-helixtrans-63.6-46.4172.9-17367000111.4H28 R29 Y30 R34 K35 V36H28-L32 VanDerWaalsContact O-CB 3.31Å; H28-L32 WeakPolarHBondContact O-CB 3.4Å; H28-L32 PolarHBondContact O-N 3.43Å; R29-L32 PolarHBondContact O-N 3.33Å; Y30-L32 VanDerWaalsContact C-N 3.33Å; Y30-L32 PolarHBondContact O-N 3.1Å; L32-R34 VanDerWaalsContact C-N 3.31Å; L32-R34 PolarHBondContact O-N 3.42Å; L32-K35 WeakPolarHBondContact O-CB 3.35Å; L32-K35 PolarHBondContact O-N 2.77Å; L32-V36 WeakPolarHBondContact O-CG2 3.28Å; L32-V36 PolarHBondContact O-N 2.75Å
33K84.4Confident85Confident160 Ų16082 Ų8270%0.69641%0.412SS*.Hα-helixtrans-60.8-38.8174.9-73.9177.5-178.8-179.20112.3R29 Y30 V36 A37R29-K33 WeakPolarHBondContact O-CG 3.46Å; R29-K33 PolarHBondContact O-N 2.67Å; Y30-K33 PolarHBondContact O-N 3.28Å; K33-V36 PolarHBondContact O-N 3.45Å; K33-A37 PolarHBondContact O-N 3.27Å
34R85.6Confident84.7Confident44 Ų4479 Ų7917%0.16641%0.409CS..Hα-helixtrans-66.2-39175-71.4179.768.2105.92.2112.4Y30 N31 L32 A37 D38 M39 P40Y30-R34 HydrophobicContact CE1-CG 4.34Å; Y30-R34 WeakPolarHBondContact O-CG 3.45Å; Y30-R34 PolarHBondContact O-N 3.37Å; Y30-R34 PolarHBondContact OH-NH1 3.48Å; N31-R34 PolarHBondContact O-N 3.15Å; L32-R34 VanDerWaalsContact C-N 3.31Å; L32-R34 PolarHBondContact O-N 3.42Å; R34-A37 CarbonylContact O-C 3.58Å; R34-A37 PolarHBondContact O-N 2.95Å; R34-A37 VanDerWaalsContact O-N 3.14Å; R34-D38 PolarHBondContact O-N 2.86Å; R34-M39 HydrophobicContact CB-CB 4.15Å; R34-M39 HydrophobicContact CG-CE 4.49Å; R34-M39 PolarHBondContact O-N 2.95Å; R34-P40 PolarHBondContact NE-O 3.22Å; R34-P40 PolarHBondContact NH2-O 3.17Å
35K83.4Confident84.4Confident105 Ų10578.4 Ų78.446%0.45741%0.409SS..Hα-helixtrans-64.5-39.5175.5-170.7-177.2-179.6-174.60112.2N31 L32 A37 D38N31-K35 WeakPolarHBondContact O-CB 3.19Å; N31-K35 PolarHBondContact O-N 3.44Å; L32-K35 WeakPolarHBondContact O-CB 3.35Å; L32-K35 PolarHBondContact O-N 2.77Å; K35-A37 PolarHBondContact O-N 3.29Å; K35-D38 PolarHBondContact O-N 3.08Å
36V86.5Confident84.2Confident120 Ų12079.2 Ų79.273%0.72741%0.411SS*.Hα-helixtrans-64.5-28173.6173.10000111.8L32 K33L32-V36 WeakPolarHBondContact O-CG2 3.28Å; L32-V36 PolarHBondContact O-N 2.75Å; K33-V36 PolarHBondContact O-N 3.45Å
37A83.4Confident84.1Confident54 Ų5475.9 Ų75.945%0.44639%0.391SS..THydrogen-bonded Turntrans-95.517.8176.700000113.8K33 R34 K35 M39K33-A37 PolarHBondContact O-N 3.27Å; R34-A37 CarbonylContact O-C 3.58Å; R34-A37 PolarHBondContact O-N 2.95Å; R34-A37 VanDerWaalsContact O-N 3.14Å; K35-A37 PolarHBondContact O-N 3.29Å; A37-M39 HydrophobicContact CB-CE 3.59Å; A37-M39 PolarHBondContact O-N 3.37Å
38D81.5Confident83.9Confident157 Ų15780.2 Ų80.284%0.8441%0.413SS*.THydrogen-bonded Turntrans5423.9-179.2-64.1-42.3000115.5R34 K35R34-D38 PolarHBondContact O-N 2.86Å; K35-D38 PolarHBondContact O-N 3.08Å
39M78.5Confident83.8Confident90 Ų9085.9 Ų85.944%0.44344%0.439SS..PPolyproline II helixtrans-94.1145.7177.6-73.8-174.1-82.500112R34 A37R34-M39 HydrophobicContact CB-CB 4.15Å; R34-M39 HydrophobicContact CG-CE 4.49Å; R34-M39 PolarHBondContact O-N 2.95Å; A37-M39 HydrophobicContact CB-CE 3.59Å; A37-M39 PolarHBondContact O-N 3.37Å
40P83.1Confident83.3Confident96 Ų9686.3 Ų86.362%0.62344%0.441SS*.PPolyproline II helixtrans-56.9143.2175.6-2533.4000112.9R34R34-P40 PolarHBondContact NE-O 3.22Å; R34-P40 PolarHBondContact NH2-O 3.17Å
41P82.8Confident83.3Confident43 Ų4384.6 Ų84.628%0.27944%0.438SS..PPolyproline II helixtrans-69.4146.4177.129.5-34.1000111
42V85.9Confident83.1Confident15 Ų1589.9 Ų89.99%0.09147%0.466CS..PPolyproline II helixtrans-99.5136.2-178.3179.60000109.5W27 Y30 N31 N46 F47W27-V42 PolarHBondContact NE1-O 3.38Å; Y30-V42 HydrophobicContact CE1-CB 4.31Å; Y30-V42 HydrophobicContact CE1-CG2 4.08Å; N31-V42 PolarHBondContact ND2-O 3.49Å; N31-V42 PolarHBondContact OD1-N 3.39Å; N31-V42 PolarHBondContact OD1-O 3.1Å; V42-N46 HydrophobicContact CG1-CB 3.51Å; V42-F47 HydrophobicContact CG1-CB 4.47Å
43T86.2Confident82.9Confident76 Ų7689.1 Ų89.147%0.46647%0.47SS..PPolyproline II helixtrans-64159.2175.655.90000111.4E45 N46 F47T43-E45 VanDerWaalsContact C-N 3.33Å; T43-E45 PolarHBondContact O-N 2.87Å; T43-N46 PolarHBondContact O-N 2.97Å; T43-N46 WeakPolarHBondContact OG1-CB 3.43Å; T43-N46 VanDerWaalsContact OG1-CG 3.31Å; T43-N46 PolarHBondContact OG1-ND2 3.04Å; T43-N46 VanDerWaalsContact OG1-ND2 3.07Å; T43-F47 PolarHBondContact O-N 3.43Å; T43-F47 VanDerWaalsContact O-N 3.14Å
44A81.2Confident82.6Confident40 Ų4088 Ų8833%0.33147%0.468SS..Hα-helixtrans-61.4-41.1-178.300000112.3W27 F47 Q48W27-A44 HydrophobicContact CD2-CB 4.47Å; W27-A44 HydrophobicContact CH2-CB 4.26Å; W27-A44 HydrophobicContact CZ2-CB 4.05Å; A44-F47 PolarHBondContact O-N 3.15Å; A44-Q48 WeakPolarHBondContact O-CG 3.18Å; A44-Q48 PolarHBondContact O-N 2.88Å
45E83.4Confident82.2Confident150 Ų15093.4 Ų93.470%0.70149%0.488SS*.Hα-helixtrans-61.1-48.9179.1-63.8171.6-175.800111.8T43 F47 Q48 E49T43-E45 VanDerWaalsContact C-N 3.33Å; T43-E45 PolarHBondContact O-N 2.87Å; E45-F47 VanDerWaalsContact C-N 3.25Å; E45-F47 PolarHBondContact O-N 3.41Å; E45-Q48 PolarHBondContact O-N 3.42Å; E45-E49 PolarHBondContact O-N 2.71Å
46N82.4Confident82.1Confident75 Ų7590.6 Ų90.640%0.40149%0.485SS..Hα-helixtrans-65.4-29.1178.4-74.1-18.2000112.7V42 T43 R50V42-N46 HydrophobicContact CG1-CB 3.51Å; T43-N46 PolarHBondContact O-N 2.97Å; T43-N46 WeakPolarHBondContact OG1-CB 3.43Å; T43-N46 VanDerWaalsContact OG1-CG 3.31Å; T43-N46 PolarHBondContact OG1-ND2 3.04Å; T43-N46 VanDerWaalsContact OG1-ND2 3.07Å; N46-R50 WeakPolarHBondContact O-CD 3.06Å; N46-R50 WeakPolarHBondContact O-CG 3.19Å; N46-R50 PolarHBondContact O-N 2.93Å
47F82.9Confident81.7Confident36 Ų3687 Ų8716%0.15847%0.467CS..Hα-helixtrans-71.4-44.3174.5178.2-103.7000111D26 W27 Y30 V42 T43 A44 E45 R50 V51D26-F47 HydrophobicContact CB-CZ 4.16Å; W27-F47 HydrophobicContact CB-CD1 3.82Å; W27-F47 HydrophobicContact CB-CE1 3.85Å; W27-F47 HydrophobicContact CB-CG 4.38Å; W27-F47 HydrophobicContact CB-CZ 4.43Å; W27-F47 AromaticContact CD1-CD1 3.74Å; W27-F47 AromaticContact CD1-CG 3.5Å; W27-F47 VanDerWaalsContact CD1-CG 3.5Å; W27-F47 HydrophobicContact CG-CD1 4.09Å; W27-F47 HydrophobicContact CG-CG 4.29Å; Y30-F47 AromaticContact CD1-CD2 3.66Å; Y30-F47 HydrophobicContact CD1-CD2 3.66Å; Y30-F47 AromaticContact CD1-CE2 3.89Å; Y30-F47 HydrophobicContact CD1-CE2 3.89Å; Y30-F47 HydrophobicContact CD2-CE2 4.23Å; Y30-F47 HydrophobicContact CE1-CD2 4.16Å; Y30-F47 AromaticContact CG-CD2 3.96Å; Y30-F47 HydrophobicContact CG-CD2 3.96Å; Y30-F47 AromaticContact CG-CE2 3.68Å; Y30-F47 HydrophobicContact CG-CE2 3.68Å; V42-F47 HydrophobicContact CG1-CB 4.47Å; T43-F47 PolarHBondContact O-N 3.43Å; T43-F47 VanDerWaalsContact O-N 3.14Å; A44-F47 PolarHBondContact O-N 3.15Å; E45-F47 VanDerWaalsContact C-N 3.25Å; E45-F47 PolarHBondContact O-N 3.41Å; F47-R50 PolarHBondContact O-N 3.11Å; F47-V51 HydrophobicContact CD1-CG2 4.31Å; F47-V51 HydrophobicContact CE1-CG2 3.95Å; F47-V51 HydrophobicContact CE2-CG2 4.26Å; F47-V51 HydrophobicContact CZ-CG2 3.92Å; F47-V51 WeakPolarHBondContact O-CG2 3.2Å; F47-V51 PolarHBondContact O-N 2.94Å
48Q81.5Confident81.2Confident125 Ų12587.3 Ų87.358%0.58446%0.464SS*.Hα-helixtrans-61.8-44.2176.7-72.2173.3-15.400111.7A44 E45 R50 V51 L52A44-Q48 WeakPolarHBondContact O-CG 3.18Å; A44-Q48 PolarHBondContact O-N 2.88Å; E45-Q48 PolarHBondContact O-N 3.42Å; Q48-R50 VanDerWaalsContact C-N 3.31Å; Q48-R50 PolarHBondContact O-N 3.21Å; Q48-V51 PolarHBondContact O-N 2.93Å; Q48-L52 WeakPolarHBondContact O-CG 3.48Å; Q48-L52 PolarHBondContact O-N 3.26Å
49E83.3Confident80.9Confident132 Ų13284.3 Ų84.362%0.61745%0.448SS*.Hα-helixtrans-60-41.5177-167.6-178.3-167.600111.9E45 L52 A53E45-E49 PolarHBondContact O-N 2.71Å; E49-L52 PolarHBondContact O-N 3.41Å; E49-A53 WeakPolarHBondContact O-CB 3.44Å; E49-A53 PolarHBondContact O-N 3.43Å
50R77.8Confident80.6Confident144 Ų14486 Ų8654%0.54346%0.455SS..Hα-helixtrans-65.2-40175.6-74170.1-177.5-97.9-3.8112.7N46 F47 Q48 A53 Q54N46-R50 WeakPolarHBondContact O-CD 3.06Å; N46-R50 WeakPolarHBondContact O-CG 3.19Å; N46-R50 PolarHBondContact O-N 2.93Å; F47-R50 PolarHBondContact O-N 3.11Å; Q48-R50 VanDerWaalsContact C-N 3.31Å; Q48-R50 PolarHBondContact O-N 3.21Å; R50-A53 PolarHBondContact O-N 3.36Å; R50-Q54 WeakPolarHBondContact O-CB 3.08Å; R50-Q54 PolarHBondContact O-N 3.18Å
51V83.8Confident79.8Confident37 Ų3788 Ų8822%0.22446%0.456CS..Hα-helixtrans-66-42.31771710000110.6F47 Q48 Q54 R55F47-V51 HydrophobicContact CD1-CG2 4.31Å; F47-V51 HydrophobicContact CE1-CG2 3.95Å; F47-V51 HydrophobicContact CE2-CG2 4.26Å; F47-V51 HydrophobicContact CZ-CG2 3.92Å; F47-V51 WeakPolarHBondContact O-CG2 3.2Å; F47-V51 PolarHBondContact O-N 2.94Å; Q48-V51 PolarHBondContact O-N 2.93Å; V51-Q54 PolarHBondContact O-N 2.98Å; V51-R55 WeakPolarHBondContact O-CG 3.42Å; V51-R55 PolarHBondContact O-N 3.42Å
52L81.2Confident79Confident111 Ų11191.6 Ų91.658%0.58147%0.472SS*.Hα-helixtrans-64.4-43.8175.7-69.9174.7000111.8Q48 E49 Q54 R55 A56Q48-L52 WeakPolarHBondContact O-CG 3.48Å; Q48-L52 PolarHBondContact O-N 3.26Å; E49-L52 PolarHBondContact O-N 3.41Å; L52-Q54 VanDerWaalsContact C-N 3.31Å; L52-Q54 PolarHBondContact O-N 3.04Å; L52-R55 PolarHBondContact O-N 2.84Å; L52-A56 WeakPolarHBondContact O-CB 3.44Å; L52-A56 PolarHBondContact O-N 3.09Å
53A81.4Confident77.9Confident61 Ų6195.3 Ų95.350%0.50450%0.495SS..Hα-helixtrans-61.9-39.2175.300000112.1E49 R50 A57E49-A53 WeakPolarHBondContact O-CB 3.44Å; E49-A53 PolarHBondContact O-N 3.43Å; R50-A53 PolarHBondContact O-N 3.36Å; A53-A57 WeakPolarHBondContact O-CB 3.42Å; A53-A57 PolarHBondContact O-N 2.92Å
54Q78.6Confident76.6Confident138 Ų13898.1 Ų98.165%0.64550%0.502SS*.Hα-helixtrans-67.1-42.1176.9-171.3174.81.600111.9R50 V51 L52 A57 T58R50-Q54 WeakPolarHBondContact O-CB 3.08Å; R50-Q54 PolarHBondContact O-N 3.18Å; V51-Q54 PolarHBondContact O-N 2.98Å; L52-Q54 VanDerWaalsContact C-N 3.31Å; L52-Q54 PolarHBondContact O-N 3.04Å; Q54-A57 PolarHBondContact O-N 2.95Å; Q54-T58 WeakPolarHBondContact O-CG2 3.46Å; Q54-T58 PolarHBondContact O-N 3.02Å; Q54-T58 PolarHBondContact O-OG1 2.91Å
55R78.1Confident75.4Confident157 Ų15799.2 Ų99.259%0.59251%0.512SS*.Hα-helixtrans-64.3-43.7175.2-72.3176.3-178-175.8-0.1112V51 L52 A57 T58 D59V51-R55 WeakPolarHBondContact O-CG 3.42Å; V51-R55 PolarHBondContact O-N 3.42Å; L52-R55 PolarHBondContact O-N 2.84Å; R55-A57 VanDerWaalsContact C-N 3.29Å; R55-A57 PolarHBondContact O-N 3.08Å; R55-T58 WeakPolarHBondContact CA-OG1 3.2Å; R55-T58 PolarHBondContact O-N 2.95Å; R55-T58 PolarHBondContact O-OG1 2.98Å; R55-D59 VanDerWaalsContact O-CG 3.24Å; R55-D59 PolarHBondContact O-N 3.28Å
56A80.6Confident74.2Confident46 Ų4695.9 Ų95.938%0.3851%0.509SS..Hα-helixtrans-61-38.7175.500000112.1L52 D59 Q60L52-A56 WeakPolarHBondContact O-CB 3.44Å; L52-A56 PolarHBondContact O-N 3.09Å; A56-D59 PolarHBondContact O-N 2.81Å; A56-Q60 WeakPolarHBondContact O-CB 3.32Å; A56-Q60 VanDerWaalsContact O-CG 3.28Å; A56-Q60 WeakPolarHBondContact O-CG 3.31Å; A56-Q60 PolarHBondContact O-N 3.02Å
57A77.6Confident73.1Confident44 Ų4494.5 Ų94.536%0.36451%0.508SS..Hα-helixtrans-66.9-38.5175.600000112.6A53 Q54 R55 Q61A53-A57 WeakPolarHBondContact O-CB 3.42Å; A53-A57 PolarHBondContact O-N 2.92Å; Q54-A57 PolarHBondContact O-N 2.95Å; R55-A57 VanDerWaalsContact C-N 3.29Å; R55-A57 PolarHBondContact O-N 3.08Å; A57-Q61 WeakPolarHBondContact O-CG 3.47Å; A57-Q61 PolarHBondContact O-N 2.93Å; A57-Q61 VanDerWaalsContact O-N 3.1Å
58T72.6Confident72.2Confident61 Ų6197.8 Ų97.837%0.37453%0.532SS..Hα-helixtrans-68.8-39.317651.70000111.9Q54 R55 Q60 Q61 L62Q54-T58 WeakPolarHBondContact O-CG2 3.46Å; Q54-T58 PolarHBondContact O-N 3.02Å; Q54-T58 PolarHBondContact O-OG1 2.91Å; R55-T58 WeakPolarHBondContact CA-OG1 3.2Å; R55-T58 PolarHBondContact O-N 2.95Å; R55-T58 PolarHBondContact O-OG1 2.98Å; T58-Q60 PolarHBondContact O-N 2.91Å; T58-Q61 WeakPolarHBondContact O-CB 3.35Å; T58-Q61 PolarHBondContact O-N 3.33Å; T58-Q61 VanDerWaalsContact O-N 3.15Å; T58-L62 WeakPolarHBondContact O-CG 3.19Å; T58-L62 PolarHBondContact O-N 3.5Å
59D75.1Confident71.7Confident94 Ų9495.4 Ų95.450%0.50352%0.52SS..Hα-helixtrans-67.2-37.9178.4-66.6-13.1000111.5R55 A56 Q61 L62 T63R55-D59 VanDerWaalsContact O-CG 3.24Å; R55-D59 PolarHBondContact O-N 3.28Å; A56-D59 PolarHBondContact O-N 2.81Å; D59-Q61 VanDerWaalsContact C-N 3.34Å; D59-Q61 PolarHBondContact O-N 2.77Å; D59-L62 PolarHBondContact O-N 3.46Å; D59-T63 WeakPolarHBondContact O-CG2 3.49Å; D59-T63 PolarHBondContact O-N 2.88Å; D59-T63 PolarHBondContact O-OG1 2.95Å
60Q72.3Confident71.6Confident126 Ų12692.7 Ų92.759%0.58952%0.516SS*.Hα-helixtrans-62.1-40.8170.7-73.6175.54.900111.8A56 T58 T63 H64A56-Q60 WeakPolarHBondContact O-CB 3.32Å; A56-Q60 VanDerWaalsContact O-CG 3.28Å; A56-Q60 WeakPolarHBondContact O-CG 3.31Å; A56-Q60 PolarHBondContact O-N 3.02Å; T58-Q60 PolarHBondContact O-N 2.91Å; Q60-T63 WeakPolarHBondContact CA-OG1 3.28Å; Q60-T63 PolarHBondContact O-OG1 3.12Å; Q60-H64 WeakPolarHBondContact O-CB 3.25Å; Q60-H64 PolarHBondContact O-CD2 3.2Å; Q60-H64 PolarHBondContact O-N 3.07Å
61Q66.4Low71.9Confident138 Ų13886 Ų8665%0.64549%0.491SS*.Hα-helixtrans-66.2-38.4176-73.2174.40.600112.7A57 T58 D59 A65A57-Q61 WeakPolarHBondContact O-CG 3.47Å; A57-Q61 PolarHBondContact O-N 2.93Å; A57-Q61 VanDerWaalsContact O-N 3.1Å; T58-Q61 WeakPolarHBondContact O-CB 3.35Å; T58-Q61 PolarHBondContact O-N 3.33Å; T58-Q61 VanDerWaalsContact O-N 3.15Å; D59-Q61 VanDerWaalsContact C-N 3.34Å; D59-Q61 PolarHBondContact O-N 2.77Å; Q61-A65 WeakPolarHBondContact O-CB 3.41Å; Q61-A65 PolarHBondContact O-N 3.38Å
62L66Low71.5Confident117 Ų11787.4 Ų87.461%0.61351%0.513SS*.Hα-helixtrans-68.6-41.2177.6-70.8171.8000112T58 D59 A65 A66T58-L62 WeakPolarHBondContact O-CG 3.19Å; T58-L62 PolarHBondContact O-N 3.5Å; D59-L62 PolarHBondContact O-N 3.46Å; L62-A65 PolarHBondContact O-N 3.44Å; L62-A66 PolarHBondContact O-N 3.48Å; L62-A66 VanDerWaalsContact O-N 3.13Å
63T63.6Low71.4Confident94 Ų9485.3 Ų85.358%0.57751%0.505SS*.Hα-helixtrans-65.7-39.117551.70000112.2D59 Q60 A65 A66 A67D59-T63 WeakPolarHBondContact O-CG2 3.49Å; D59-T63 PolarHBondContact O-N 2.88Å; D59-T63 PolarHBondContact O-OG1 2.95Å; Q60-T63 WeakPolarHBondContact CA-OG1 3.28Å; Q60-T63 PolarHBondContact O-OG1 3.12Å; T63-A65 VanDerWaalsContact C-N 3.3Å; T63-A65 PolarHBondContact O-N 3.15Å; T63-A66 PolarHBondContact O-N 2.76Å; T63-A67 PolarHBondContact O-N 2.79Å
64H59.1Low71.3Confident134 Ų13483.8 Ų83.862%0.6249%0.49SS*.Hα-helixtrans-66.1-27.6172.6-83.3-67.3000113.8Q60Q60-H64 WeakPolarHBondContact O-CB 3.25Å; Q60-H64 PolarHBondContact O-CD2 3.2Å; Q60-H64 PolarHBondContact O-N 3.07Å
65A56.1Low71.1Confident64 Ų6482.3 Ų82.353%0.52950%0.495SS..Hα-helixtrans-79-24.1175.400000113.3Q61 L62 T63Q61-A65 WeakPolarHBondContact O-CB 3.41Å; Q61-A65 PolarHBondContact O-N 3.38Å; L62-A65 PolarHBondContact O-N 3.44Å; T63-A65 VanDerWaalsContact C-N 3.3Å; T63-A65 PolarHBondContact O-N 3.15Å
66A57.3Low71.2Confident79 Ų7980.2 Ų80.265%0.65349%0.49SS*.Hα-helixtrans-82.7-16.2179.400000113.9L62 T63 T68L62-A66 PolarHBondContact O-N 3.48Å; L62-A66 VanDerWaalsContact O-N 3.13Å; T63-A66 PolarHBondContact O-N 2.76Å; A66-T68 PolarHBondContact O-N 2.93Å
67A59.3Low71.3Confident46 Ų4686.3 Ų86.338%0.3851%0.508SS..  trans-77.289.8177.800000111.1T63 E69T63-A67 PolarHBondContact O-N 2.79Å; A67-E69 PolarHBondContact O-N 3.2Å; A67-E69 VanDerWaalsContact O-N 3.16Å
68T63.9Low71.5Confident106 Ų10686.1 Ų86.165%0.6550%0.499SS*.  trans-75.298.4169.949.90000110.6A66 F78A66-T68 PolarHBondContact O-N 2.93Å; T68-F78 WeakPolarHBondContact CA-O 3.42Å
69E72.4Confident71.6Confident74 Ų7487.6 Ų87.635%0.34651%0.512SS..EExtended strand (participates in β ladder)trans-83.7136.4176.5-65.8-179.5171.400110.9A67 F78 Y84A67-E69 PolarHBondContact O-N 3.2Å; A67-E69 VanDerWaalsContact O-N 3.16Å; E69-F78 PolarHBondContact N-O 3.06Å; E69-F78 PolarHBondContact O-N 3.14Å; E69-Y84 HydrophobicContact CB-CD1 4.17Å; E69-Y84 HydrophobicContact CB-CD2 4.35Å; E69-Y84 HydrophobicContact CB-CG 4.01Å; E69-Y84 WeakPolarHBondContact OE2-CD1 3.38Å
70S80.1Confident71.8Confident76 Ų7685.4 Ų85.453%0.53150%0.504SS..EExtended strand (participates in β ladder)trans-122.2136-177.869.30000112.8K76S70-K76 WeakPolarHBondContact CA-O 3.39Å
71C83.6Confident72.2Confident3 Ų380.9 Ų80.92%0.0249%0.488CS..  trans-82.1122.1179.9179.20000112V73 C74 S75 K76 F78 Y84 H87 H93C71-V73 PolarHBondContact O-N 3.4Å; C71-C74 HydrophobicContact CB-CB 4.38Å; C71-C74 PolarHBondContact SG-N 3.36Å; C71-S75 WeakPolarHBondContact O-CA 3.39Å; C71-S75 PolarHBondContact O-N 3.06Å; C71-K76 PolarHBondContact N-O 2.96Å; C71-F78 HydrophobicContact CB-CE2 4.27Å; C71-Y84 HydrophobicContact CB-CE2 3.75Å; C71-H87 WeakPolarHBondContact CB-NE2 3.34Å; C71-H87 PolarHBondContact SG-NE2 3Å; C71-H93 PolarHBondContact SG-CE1 3.36Å
72G76.9Confident72.9Confident66 Ų6679.5 Ų79.568%0.6849%0.485SS*.THydrogen-bonded Turntrans-67.7-27.9-179.600000115.2
73V79.4Confident73.6Confident68 Ų6875.8 Ų75.841%0.41247%0.472SS..THydrogen-bonded Turntrans-86.2-35.3-177.9-176.20000111.7C71 A96 E97C71-V73 PolarHBondContact O-N 3.4Å; V73-A96 HydrophobicContact CG1-CB 4.31Å; V73-E97 HydrophobicContact CB-CG 4.4Å; V73-E97 HydrophobicContact CG1-CG 3.94Å; V73-E97 HydrophobicContact CG2-CG 4.07Å
74C77.9Confident74.6Confident28 Ų2873.7 Ų73.719%0.18945%0.454CS..THydrogen-bonded Turntrans-106-7.5-176.7-66.60000113.8C71 K76 H87 H93C71-C74 HydrophobicContact CB-CB 4.38Å; C71-C74 PolarHBondContact SG-N 3.36Å; C74-K76 HydrophobicContact CB-CD 4.42Å; C74-K76 HydrophobicContact CB-CG 4.27Å; C74-K76 PolarHBondContact O-N 3.06Å; C74-H87 WeakPolarHBondContact CB-NE2 3.4Å; C74-H93 PolarHBondContact SG-ND1 3.48Å
75S75.2Confident75.8Confident107 Ų10772.4 Ų72.475%0.74845%0.448SS*.  trans54.616.4-176.263.90000115.6C71C71-S75 WeakPolarHBondContact O-CA 3.39Å; C71-S75 PolarHBondContact O-N 3.06Å
76K80.1Confident77.2Confident113 Ų11374.5 Ų74.549%0.49145%0.45SS..  trans-84.3136.4178.6-66179.8-174.7-177.20110.2S70 C71 C74 F78S70-K76 WeakPolarHBondContact CA-O 3.39Å; C71-K76 PolarHBondContact N-O 2.96Å; C74-K76 HydrophobicContact CB-CD 4.42Å; C74-K76 HydrophobicContact CB-CG 4.27Å; C74-K76 PolarHBondContact O-N 3.06Å; K76-F78 HydrophobicContact CB-CD2 4.48Å; K76-F78 HydrophobicContact CB-CE2 3.53Å; K76-F78 HydrophobicContact CB-CZ 3.6Å; K76-F78 HydrophobicContact CD-CZ 4.23Å; K76-F78 WeakPolarHBondContact O-CE2 3.41Å
77K81.7Confident78.7Confident175 Ų17571.6 Ų71.676%0.76142%0.423SS*.EExtended strand (participates in β ladder)trans-98.7134.9175.5-58.7-177.6-179.4-176.90109.4
78F82.7Confident80Confident39 Ų3972.4 Ų72.417%0.17142%0.421CS..EExtended strand (participates in β ladder)trans-121139.4-178.7-61.5-88.3000109.6T68 E69 C71 K76 S80 A83 Y84 H87T68-F78 WeakPolarHBondContact CA-O 3.42Å; E69-F78 PolarHBondContact N-O 3.06Å; E69-F78 PolarHBondContact O-N 3.14Å; C71-F78 HydrophobicContact CB-CE2 4.27Å; K76-F78 HydrophobicContact CB-CD2 4.48Å; K76-F78 HydrophobicContact CB-CE2 3.53Å; K76-F78 HydrophobicContact CB-CZ 3.6Å; K76-F78 HydrophobicContact CD-CZ 4.23Å; K76-F78 WeakPolarHBondContact O-CE2 3.41Å; F78-S80 VanDerWaalsContact C-N 3.33Å; F78-A83 HydrophobicContact CB-CB 4.46Å; F78-A83 HydrophobicContact CD1-CB 4.17Å; F78-Y84 AromaticContact CD2-CD2 3.6Å; F78-Y84 HydrophobicContact CD2-CD2 3.6Å; F78-Y84 HydrophobicContact CD2-CE2 4.46Å; F78-Y84 HydrophobicContact CD2-CG 4.48Å; F78-Y84 HydrophobicContact CE2-CD2 4.09Å; F78-Y84 HydrophobicContact CG-CD2 4.35Å; F78-H87 HydrophobicContact CD1-CB 4.49Å; F78-H87 HydrophobicContact CE1-CB 3.71Å; F78-H87 AromaticContact CE1-CG 3.97Å; F78-H87 HydrophobicContact CE2-CB 3.92Å; F78-H87 AromaticContact CE2-CD2 3.3Å; F78-H87 WeakPolarHBondContact CE2-CD2 3.4Å; F78-H87 AromaticContact CE2-CG 3.59Å; F78-H87 AromaticContact CE2-NE2 3.94Å; F78-H87 HydrophobicContact CZ-CB 3.38Å; F78-H87 AromaticContact CZ-CD2 3.37Å; F78-H87 WeakPolarHBondContact CZ-CD2 3.4Å; F78-H87 AromaticContact CZ-CG 3.14Å; F78-H87 AromaticContact CZ-ND1 3.65Å; F78-H87 AromaticContact CZ-NE2 3.95Å
79S74.8Confident81Confident92 Ų9273.9 Ų73.964%0.64342%0.42SS*.SBendtrans-87.90.1-179.453.50000113.7
80S79.9Confident81.9Confident48 Ų4872.7 Ų72.734%0.33642%0.42SS..SBendtrans-148.2136.9179.51760000109.9F78 N82 A83 Y84F78-S80 VanDerWaalsContact C-N 3.33Å; S80-N82 PolarHBondContact O-N 3.43Å; S80-N82 PolarHBondContact OG-N 3.43Å; S80-A83 WeakPolarHBondContact O-CB 3.5Å; S80-A83 PolarHBondContact O-N 2.81Å; S80-Y84 PolarHBondContact O-N 2.97Å
81A79.6Confident82.3Confident31 Ų3174.5 Ų74.526%0.25642%0.42SS..Hα-helixtrans-56-36.3175.200000112.4A83 Y84 Q85A81-A83 PolarHBondContact O-N 3.22Å; A81-Y84 WeakPolarHBondContact O-CB 3.3Å; A81-Y84 PolarHBondContact O-N 2.93Å; A81-Q85 WeakPolarHBondContact O-CG 3.48Å; A81-Q85 PolarHBondContact O-N 3.14Å
82N80.8Confident82.3Confident109 Ų10982.1 Ų82.158%0.58345%0.452SS*.Hα-helixtrans-67-37.2176.7-73-18.2000112.2S80 Y84 N86S80-N82 PolarHBondContact O-N 3.43Å; S80-N82 PolarHBondContact OG-N 3.43Å; N82-Y84 VanDerWaalsContact C-N 3.34Å; N82-N86 WeakPolarHBondContact O-CB 3.34Å; N82-N86 VanDerWaalsContact O-CG 3.25Å; N82-N86 PolarHBondContact O-N 2.9Å; N82-N86 PolarHBondContact O-ND2 3.27Å
83A81.8Confident82.7Confident40 Ų4079.1 Ų79.133%0.33142%0.421SS..Hα-helixtrans-69.2-35.8175.500000111.4F78 S80 A81 H87F78-A83 HydrophobicContact CB-CB 4.46Å; F78-A83 HydrophobicContact CD1-CB 4.17Å; S80-A83 WeakPolarHBondContact O-CB 3.5Å; S80-A83 PolarHBondContact O-N 2.81Å; A81-A83 PolarHBondContact O-N 3.22Å; A83-H87 WeakPolarHBondContact O-CB 3.44Å; A83-H87 PolarHBondContact O-N 3.2Å
84Y84.3Confident83.1Confident50 Ų5079 Ų7920%0.19642%0.416CS..Hα-helixtrans-65.1-47.6173.8-177.3-116.1000112E69 C71 F78 S80 A81 N82 N86 H87 L88E69-Y84 HydrophobicContact CB-CD1 4.17Å; E69-Y84 HydrophobicContact CB-CD2 4.35Å; E69-Y84 HydrophobicContact CB-CG 4.01Å; E69-Y84 WeakPolarHBondContact OE2-CD1 3.38Å; C71-Y84 HydrophobicContact CB-CE2 3.75Å; F78-Y84 AromaticContact CD2-CD2 3.6Å; F78-Y84 HydrophobicContact CD2-CD2 3.6Å; F78-Y84 HydrophobicContact CD2-CE2 4.46Å; F78-Y84 HydrophobicContact CD2-CG 4.48Å; F78-Y84 HydrophobicContact CE2-CD2 4.09Å; F78-Y84 HydrophobicContact CG-CD2 4.35Å; S80-Y84 PolarHBondContact O-N 2.97Å; A81-Y84 WeakPolarHBondContact O-CB 3.3Å; A81-Y84 PolarHBondContact O-N 2.93Å; N82-Y84 VanDerWaalsContact C-N 3.34Å; Y84-N86 PolarHBondContact O-N 3.15Å; Y84-H87 WeakPolarHBondContact O-CA 3.46Å; Y84-H87 VanDerWaalsContact O-CB 3.32Å; Y84-H87 WeakPolarHBondContact O-CB 3.46Å; Y84-H87 PolarHBondContact O-N 3.4Å; Y84-H87 VanDerWaalsContact O-N 3.07Å; Y84-L88 HydrophobicContact CD1-CD1 4.22Å; Y84-L88 HydrophobicContact CE1-CD1 3.78Å; Y84-L88 HydrophobicContact CE1-CG 4.35Å; Y84-L88 HydrophobicContact CE2-CD2 4.34Å; Y84-L88 WeakPolarHBondContact O-CG 3.2Å; Y84-L88 PolarHBondContact O-N 3.41Å
85Q83.9Confident83.5Confident107 Ų10781.8 Ų81.850%0.543%0.426SS..Hα-helixtrans-60.5-43.2176.4-74.6-178.5-13.500112.6A81 H87 L88 Q89A81-Q85 WeakPolarHBondContact O-CG 3.48Å; A81-Q85 PolarHBondContact O-N 3.14Å; Q85-H87 VanDerWaalsContact C-N 3.26Å; Q85-H87 PolarHBondContact O-N 2.95Å; Q85-L88 PolarHBondContact O-N 3.19Å; Q85-Q89 PolarHBondContact O-N 3.36Å; Q85-Q89 VanDerWaalsContact O-N 3.13Å
86N86.6Confident83.9Confident108 Ų10878.2 Ų78.258%0.57840%0.403SS*.Hα-helixtrans-64-33174.8-73.7-26.3000112.3N82 Y84 Q89 S90N82-N86 WeakPolarHBondContact O-CB 3.34Å; N82-N86 VanDerWaalsContact O-CG 3.25Å; N82-N86 PolarHBondContact O-N 2.9Å; N82-N86 PolarHBondContact O-ND2 3.27Å; Y84-N86 PolarHBondContact O-N 3.15Å; N86-Q89 PolarHBondContact O-N 3.33Å; N86-S90 PolarHBondContact O-N 3.21Å; N86-S90 VanDerWaalsContact O-N 3.16Å
87H87Confident84.2Confident18 Ų1876.5 Ų76.58%0.08340%0.397CS..Hα-helixtrans-65.6-42.6173.5169.659.8000112.3C71 C74 F78 A83 Y84 Q85 Q89 S90 H93C71-H87 WeakPolarHBondContact CB-NE2 3.34Å; C71-H87 PolarHBondContact SG-NE2 3Å; C74-H87 WeakPolarHBondContact CB-NE2 3.4Å; F78-H87 HydrophobicContact CD1-CB 4.49Å; F78-H87 HydrophobicContact CE1-CB 3.71Å; F78-H87 AromaticContact CE1-CG 3.97Å; F78-H87 HydrophobicContact CE2-CB 3.92Å; F78-H87 AromaticContact CE2-CD2 3.3Å; F78-H87 WeakPolarHBondContact CE2-CD2 3.4Å; F78-H87 AromaticContact CE2-CG 3.59Å; F78-H87 AromaticContact CE2-NE2 3.94Å; F78-H87 HydrophobicContact CZ-CB 3.38Å; F78-H87 AromaticContact CZ-CD2 3.37Å; F78-H87 WeakPolarHBondContact CZ-CD2 3.4Å; F78-H87 AromaticContact CZ-CG 3.14Å; F78-H87 AromaticContact CZ-ND1 3.65Å; F78-H87 AromaticContact CZ-NE2 3.95Å; A83-H87 WeakPolarHBondContact O-CB 3.44Å; A83-H87 PolarHBondContact O-N 3.2Å; Y84-H87 WeakPolarHBondContact O-CA 3.46Å; Y84-H87 VanDerWaalsContact O-CB 3.32Å; Y84-H87 WeakPolarHBondContact O-CB 3.46Å; Y84-H87 PolarHBondContact O-N 3.4Å; Y84-H87 VanDerWaalsContact O-N 3.07Å; Q85-H87 VanDerWaalsContact C-N 3.26Å; Q85-H87 PolarHBondContact O-N 2.95Å; H87-Q89 VanDerWaalsContact C-N 3.28Å; H87-Q89 PolarHBondContact O-N 3.48Å; H87-S90 WeakPolarHBondContact O-CB 3.45Å; H87-S90 PolarHBondContact O-N 3.4Å; H87-S90 VanDerWaalsContact O-N 3.09Å; H87-H93 AromaticContact CE1-ND1 3.96Å; H87-H93 AromaticContact NE2-ND1 3.63Å; H87-H93 VanDerWaalsContact O-CB 3.23Å; H87-H93 WeakPolarHBondContact O-CB 3.36Å
88L87.1Confident84.4Confident62 Ų6275.5 Ų75.533%0.32539%0.388SS..Hα-helixtrans-62.4-35.8176.8-63.8177.7000112Y84 Q85 S90 H93Y84-L88 HydrophobicContact CD1-CD1 4.22Å; Y84-L88 HydrophobicContact CE1-CD1 3.78Å; Y84-L88 HydrophobicContact CE1-CG 4.35Å; Y84-L88 HydrophobicContact CE2-CD2 4.34Å; Y84-L88 WeakPolarHBondContact O-CG 3.2Å; Y84-L88 PolarHBondContact O-N 3.41Å; Q85-L88 PolarHBondContact O-N 3.19Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 3.05Å; L88-H93 WeakPolarHBondContact CD2-NE2 3.42Å; L88-H93 PolarHBondContact O-CD2 3.4Å; L88-H93 VanDerWaalsContact O-CD2 3.31Å
89Q86.1Confident84.6Confident138 Ų13880 Ų8065%0.64541%0.41SS*.THydrogen-bonded Turntrans-80-8.6176.9-64.5179.54.700113.5Q85 N86 H87 H91 Q94Q85-Q89 PolarHBondContact O-N 3.36Å; Q85-Q89 VanDerWaalsContact O-N 3.13Å; N86-Q89 PolarHBondContact O-N 3.33Å; H87-Q89 VanDerWaalsContact C-N 3.28Å; H87-Q89 PolarHBondContact O-N 3.48Å; Q89-H91 PolarHBondContact O-N 3.15Å; Q89-Q94 PolarHBondContact O-NE2 3.08Å
90S89.5Confident84.9Confident48 Ų4878.3 Ų78.334%0.33640%0.401SS..SBendtrans-67.3134.3-179.4-172.10000111.2N86 H87 L88 K92 H93 Q94N86-S90 PolarHBondContact O-N 3.21Å; N86-S90 VanDerWaalsContact O-N 3.16Å; H87-S90 WeakPolarHBondContact O-CB 3.45Å; H87-S90 PolarHBondContact O-N 3.4Å; H87-S90 VanDerWaalsContact O-N 3.09Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 3.05Å; S90-K92 PolarHBondContact O-N 3.23Å; S90-H93 WeakPolarHBondContact O-CB 3.42Å; S90-H93 PolarHBondContact O-N 2.89Å; S90-Q94 PolarHBondContact O-N 3.39Å; S90-Q94 VanDerWaalsContact O-N 3.08Å
91H88.9Confident85.1Confident114 Ų11481 Ų8153%0.52841%0.411SS..Hα-helixtrans-53-32.9175.9-171.2-111.9000112.9Q89 Q95Q89-H91 PolarHBondContact O-N 3.15Å; H91-Q95 VanDerWaalsContact CE1-CD 3.44Å; H91-Q95 PolarHBondContact CE1-NE2 2.87Å; H91-Q95 PolarHBondContact ND1-NE2 3.23Å; H91-Q95 VanDerWaalsContact O-CB 3.3Å; H91-Q95 WeakPolarHBondContact O-CB 3.28Å; H91-Q95 VanDerWaalsContact O-CG 3.23Å; H91-Q95 WeakPolarHBondContact O-CG 3.18Å; H91-Q95 PolarHBondContact O-N 3.42Å
92K84.6Confident85.4Confident163 Ų16383.9 Ų83.971%0.70942%0.422SS*.Hα-helixtrans-67.1-37.2177.1-69-175.4179.7-1800112.8S90 A96S90-K92 PolarHBondContact O-N 3.23Å; K92-A96 WeakPolarHBondContact O-CB 3.49Å; K92-A96 PolarHBondContact O-N 3.48Å; K92-A96 VanDerWaalsContact O-N 3.13Å
93H85.1Confident85.5Confident3 Ų381.5 Ų81.51%0.01442%0.417CS..Hα-helixtrans-71.5-47.3176.6177.975000110.3C71 C74 H87 L88 S90 Q95 A96 E97C71-H93 PolarHBondContact SG-CE1 3.36Å; C74-H93 PolarHBondContact SG-ND1 3.48Å; H87-H93 AromaticContact CE1-ND1 3.96Å; H87-H93 AromaticContact NE2-ND1 3.63Å; H87-H93 VanDerWaalsContact O-CB 3.23Å; H87-H93 WeakPolarHBondContact O-CB 3.36Å; L88-H93 WeakPolarHBondContact CD2-NE2 3.42Å; L88-H93 PolarHBondContact O-CD2 3.4Å; L88-H93 VanDerWaalsContact O-CD2 3.31Å; S90-H93 WeakPolarHBondContact O-CB 3.42Å; S90-H93 PolarHBondContact O-N 2.89Å; H93-Q95 VanDerWaalsContact C-N 3.29Å; H93-Q95 PolarHBondContact O-N 2.76Å; H93-A96 WeakPolarHBondContact O-CB 3.44Å; H93-A96 PolarHBondContact O-N 3.07Å; H93-E97 IonicContact CD2-OE1 3.8Å; H93-E97 IonicContact CD2-OE2 3.56Å; H93-E97 IonicContact CE1-OE1 3.44Å; H93-E97 VanDerWaalsContact NE2-CD 3.29Å; H93-E97 IonicContact NE2-OE1 3.84Å; H93-E97 PolarHBondContact NE2-OE1 2.86Å; H93-E97 IonicContact NE2-OE2 3.41Å; H93-E97 WeakPolarHBondContact O-CG 3.22Å; H93-E97 PolarHBondContact O-N 2.93Å
94Q86.9Confident85.5Confident66 Ų6681 Ų8131%0.30841%0.413SS..Hα-helixtrans-61-36177-65.2176.16.500112.9Q89 S90 R98Q89-Q94 PolarHBondContact O-NE2 3.08Å; S90-Q94 PolarHBondContact O-N 3.39Å; S90-Q94 VanDerWaalsContact O-N 3.08Å; Q94-R98 WeakPolarHBondContact O-CB 3.35Å; Q94-R98 VanDerWaalsContact O-CG 3.28Å; Q94-R98 WeakPolarHBondContact O-CG 3.39Å; Q94-R98 PolarHBondContact O-N 3.42Å
95Q86.6Confident85.3Confident86 Ų8683.9 Ų83.940%0.40243%0.429SS..Hα-helixtrans-66.9-42.3172.6-79.3-177.2-21.800112.1H91 H93 E97 R98 Q99H91-Q95 VanDerWaalsContact CE1-CD 3.44Å; H91-Q95 PolarHBondContact CE1-NE2 2.87Å; H91-Q95 PolarHBondContact ND1-NE2 3.23Å; H91-Q95 VanDerWaalsContact O-CB 3.3Å; H91-Q95 WeakPolarHBondContact O-CB 3.28Å; H91-Q95 VanDerWaalsContact O-CG 3.23Å; H91-Q95 WeakPolarHBondContact O-CG 3.18Å; H91-Q95 PolarHBondContact O-N 3.42Å; H93-Q95 VanDerWaalsContact C-N 3.29Å; H93-Q95 PolarHBondContact O-N 2.76Å; Q95-E97 VanDerWaalsContact C-N 3.34Å; Q95-R98 PolarHBondContact O-N 2.85Å; Q95-Q99 WeakPolarHBondContact O-CB 3.48Å; Q95-Q99 VanDerWaalsContact O-CG 3.28Å; Q95-Q99 WeakPolarHBondContact O-CG 3.41Å; Q95-Q99 PolarHBondContact O-N 3.2Å
96A84.4Confident85.2Confident32 Ų3286.6 Ų86.626%0.26443%0.434SS..Hα-helixtrans-63.6-40.8176.300000111.5V73 K92 H93 Q99 A100V73-A96 HydrophobicContact CG1-CB 4.31Å; K92-A96 WeakPolarHBondContact O-CB 3.49Å; K92-A96 PolarHBondContact O-N 3.48Å; K92-A96 VanDerWaalsContact O-N 3.13Å; H93-A96 WeakPolarHBondContact O-CB 3.44Å; H93-A96 PolarHBondContact O-N 3.07Å; A96-Q99 PolarHBondContact O-N 3.06Å; A96-A100 WeakPolarHBondContact O-CB 3.38Å; A96-A100 PolarHBondContact O-N 3.25Å
97E85.9Confident84.9Confident78 Ų7886.9 Ų86.936%0.36443%0.43SS..Hα-helixtrans-62.6-48.6173.5-72.9-172.8142.400112.2V73 H93 Q95 Q99 A100 L101V73-E97 HydrophobicContact CB-CG 4.4Å; V73-E97 HydrophobicContact CG1-CG 3.94Å; V73-E97 HydrophobicContact CG2-CG 4.07Å; H93-E97 IonicContact CD2-OE1 3.8Å; H93-E97 IonicContact CD2-OE2 3.56Å; H93-E97 IonicContact CE1-OE1 3.44Å; H93-E97 VanDerWaalsContact NE2-CD 3.29Å; H93-E97 IonicContact NE2-OE1 3.84Å; H93-E97 PolarHBondContact NE2-OE1 2.86Å; H93-E97 IonicContact NE2-OE2 3.41Å; H93-E97 WeakPolarHBondContact O-CG 3.22Å; H93-E97 PolarHBondContact O-N 2.93Å; Q95-E97 VanDerWaalsContact C-N 3.34Å; E97-Q99 VanDerWaalsContact C-N 3.3Å; E97-Q99 PolarHBondContact O-N 3.11Å; E97-A100 PolarHBondContact O-N 3.29Å; E97-L101 WeakPolarHBondContact O-CG 3.31Å; E97-L101 PolarHBondContact O-N 3.43Å
98R86.3Confident84.3Confident153 Ų15387.5 Ų87.558%0.57744%0.435SS*.Hα-helixtrans-60.1-40.3176.6-74.1177.8-162.5177.36.9112Q94 Q95 L101 L102Q94-R98 WeakPolarHBondContact O-CB 3.35Å; Q94-R98 VanDerWaalsContact O-CG 3.28Å; Q94-R98 WeakPolarHBondContact O-CG 3.39Å; Q94-R98 PolarHBondContact O-N 3.42Å; Q95-R98 PolarHBondContact O-N 2.85Å; R98-L101 PolarHBondContact O-N 3.11Å; R98-L102 VanDerWaalsContact O-CG 3.3Å; R98-L102 WeakPolarHBondContact O-CG 3.5Å; R98-L102 PolarHBondContact O-N 3.31Å
99Q86.2Confident83.6Confident135 Ų13589.9 Ų89.963%0.63145%0.445SS*.Hα-helixtrans-66.9-39.8176.4-75177.24.600112.1Q95 A96 E97 L102 A103Q95-Q99 WeakPolarHBondContact O-CB 3.48Å; Q95-Q99 VanDerWaalsContact O-CG 3.28Å; Q95-Q99 WeakPolarHBondContact O-CG 3.41Å; Q95-Q99 PolarHBondContact O-N 3.2Å; A96-Q99 PolarHBondContact O-N 3.06Å; E97-Q99 VanDerWaalsContact C-N 3.3Å; E97-Q99 PolarHBondContact O-N 3.11Å; Q99-L102 PolarHBondContact O-N 3.04Å; Q99-A103 WeakPolarHBondContact O-CB 3.33Å; Q99-A103 PolarHBondContact O-N 3.47Å
100A82.3Confident83.1Confident55 Ų5590.5 Ų90.546%0.45544%0.441SS..Hα-helixtrans-63-41.2174.900000111.8A96 E97 A103 A104A96-A100 WeakPolarHBondContact O-CB 3.38Å; A96-A100 PolarHBondContact O-N 3.25Å; E97-A100 PolarHBondContact O-N 3.29Å; A100-A103 PolarHBondContact O-N 3.34Å; A100-A104 WeakPolarHBondContact O-CB 3.37Å; A100-A104 PolarHBondContact O-N 2.89Å
101L83.6Confident82Confident105 Ų10592.7 Ų92.755%0.5545%0.447SS..Hα-helixtrans-64.3-44.8175.1-70.7175.6000112.4E97 R98 A103 A104 Q105E97-L101 WeakPolarHBondContact O-CG 3.31Å; E97-L101 PolarHBondContact O-N 3.43Å; R98-L101 PolarHBondContact O-N 3.11Å; L101-A103 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 3.05Å; L101-A104 WeakPolarHBondContact O-CB 3.48Å; L101-A104 PolarHBondContact O-N 3.38Å; L101-Q105 WeakPolarHBondContact O-CG 3.4Å; L101-Q105 PolarHBondContact O-N 3.24Å
102L85.4Confident81Confident91 Ų9189.9 Ų89.948%0.47644%0.436SS..Hα-helixtrans-64.1-37.2176.5-71.1171.5000112.1R98 Q99 Q105 R106R98-L102 VanDerWaalsContact O-CG 3.3Å; R98-L102 WeakPolarHBondContact O-CG 3.5Å; R98-L102 PolarHBondContact O-N 3.31Å; Q99-L102 PolarHBondContact O-N 3.04Å; L102-Q105 PolarHBondContact O-N 3.38Å; L102-R106 WeakPolarHBondContact O-CG 3.37Å; L102-R106 PolarHBondContact O-N 3.03Å
103A84.3Confident80.3Confident59 Ų5987.8 Ų87.849%0.48843%0.429SS..Hα-helixtrans-66.7-38174.700000111.9Q99 A100 L101 K107Q99-A103 WeakPolarHBondContact O-CB 3.33Å; Q99-A103 PolarHBondContact O-N 3.47Å; A100-A103 PolarHBondContact O-N 3.34Å; L101-A103 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 3.05Å; A103-K107 WeakPolarHBondContact O-CB 3.45Å; A103-K107 PolarHBondContact O-N 3.48Å; A103-K107 VanDerWaalsContact O-N 3.15Å
104A80.2Confident79.6Confident30 Ų3093.6 Ų93.625%0.24845%0.454CS..Hα-helixtrans-65.4-44.6173.700000111.6A100 L101 R106 K107 V108A100-A104 WeakPolarHBondContact O-CB 3.37Å; A100-A104 PolarHBondContact O-N 2.89Å; L101-A104 WeakPolarHBondContact O-CB 3.48Å; L101-A104 PolarHBondContact O-N 3.38Å; A104-R106 PolarHBondContact O-N 2.95Å; A104-K107 WeakPolarHBondContact O-CB 3.41Å; A104-K107 PolarHBondContact O-N 3.23Å; A104-K107 VanDerWaalsContact O-N 3.12Å; A104-V108 WeakPolarHBondContact O-CG2 3.49Å; A104-V108 PolarHBondContact O-N 3.14Å
105Q79.8Confident78.3Confident111 Ų11195 Ų9552%0.51946%0.464SS..Hα-helixtrans-58.5-49.2175.8-75.9176.6-14.700111.9L101 L102 K107 V108 E109L101-Q105 WeakPolarHBondContact O-CG 3.4Å; L101-Q105 PolarHBondContact O-N 3.24Å; L102-Q105 PolarHBondContact O-N 3.38Å; Q105-K107 PolarHBondContact O-N 3.19Å; Q105-V108 PolarHBondContact O-N 3.24Å; Q105-V108 VanDerWaalsContact O-N 3.1Å; Q105-E109 WeakPolarHBondContact O-CG 3.24Å; Q105-E109 PolarHBondContact O-N 2.94Å
106R83.2Confident77Confident164 Ų16497.7 Ų97.762%0.61948%0.48SS*.Hα-helixtrans-61.6-26.7176.3-73176178.7-176.7-0.4113.9L102 A104 R110L102-R106 WeakPolarHBondContact O-CG 3.37Å; L102-R106 PolarHBondContact O-N 3.03Å; A104-R106 PolarHBondContact O-N 2.95Å; R106-R110 WeakPolarHBondContact O-CB 3.47Å; R106-R110 PolarHBondContact O-N 3.49Å; R106-R110 VanDerWaalsContact O-N 3.15Å
107K78.8Confident75.8Confident113 Ų113104.2 Ų104.249%0.49151%0.505SS..Hα-helixtrans-78.1-38.5176.9-168.1177.3179-176.50110.9A103 A104 Q105 R110 M111A103-K107 WeakPolarHBondContact O-CB 3.45Å; A103-K107 PolarHBondContact O-N 3.48Å; A103-K107 VanDerWaalsContact O-N 3.15Å; A104-K107 WeakPolarHBondContact O-CB 3.41Å; A104-K107 PolarHBondContact O-N 3.23Å; A104-K107 VanDerWaalsContact O-N 3.12Å; Q105-K107 PolarHBondContact O-N 3.19Å; K107-R110 PolarHBondContact O-N 3.37Å; K107-M111 HydrophobicContact CG-CE 4.49Å; K107-M111 WeakPolarHBondContact O-CG 3.37Å; K107-M111 PolarHBondContact O-N 2.93Å
108V75.1Confident74.5Confident32 Ų32108.6 Ų108.619%0.19452%0.523CS..Hα-helixtrans-66.2-43.5172.9173.50000110.6A104 Q105 R110 M111 N112 L134A104-V108 WeakPolarHBondContact O-CG2 3.49Å; A104-V108 PolarHBondContact O-N 3.14Å; Q105-V108 PolarHBondContact O-N 3.24Å; Q105-V108 VanDerWaalsContact O-N 3.1Å; V108-R110 PolarHBondContact O-N 2.63Å; V108-M111 HydrophobicContact CG2-CE 4.12Å; V108-M111 CarbonylContact O-C 3.4Å; V108-M111 WeakPolarHBondContact O-CA 3.4Å; V108-M111 WeakPolarHBondContact O-CB 3.38Å; V108-M111 PolarHBondContact O-N 3.12Å; V108-N112 VanDerWaalsContact O-CG 3.27Å; V108-N112 PolarHBondContact O-N 3.33Å; V108-N112 PolarHBondContact O-OD1 2.98Å; V108-L134 HydrophobicContact CG1-CD1 4.2Å; V108-L134 HydrophobicContact CG2-CD1 4.02Å; V108-L134 HydrophobicContact CG2-CG 4.47Å
109E73.1Confident72.9Confident111 Ų111104.2 Ų104.252%0.51953%0.525SS..Hα-helixtrans-57.9-46.7173.5-72.5167.6175.900111.6Q105 M111 N112 E113Q105-E109 WeakPolarHBondContact O-CG 3.24Å; Q105-E109 PolarHBondContact O-N 2.94Å; E109-M111 VanDerWaalsContact C-N 3.28Å; E109-M111 PolarHBondContact O-N 2.81Å; E109-N112 CarbonylContact O-C 3.55Å; E109-N112 PolarHBondContact O-N 3.05Å; E109-N112 VanDerWaalsContact O-N 3.12Å; E109-E113 WeakPolarHBondContact O-CG 3.46Å; E109-E113 PolarHBondContact O-N 3.28Å
110R74.9Confident71Confident151 Ų151103.7 Ų103.757%0.5753%0.531SS*.Hα-helixtrans-64-29.3173.9-100.2-173.7-77.3171.2-9.5114R106 K107 V108 K114R106-R110 WeakPolarHBondContact O-CB 3.47Å; R106-R110 PolarHBondContact O-N 3.49Å; R106-R110 VanDerWaalsContact O-N 3.15Å; K107-R110 PolarHBondContact O-N 3.37Å; V108-R110 PolarHBondContact O-N 2.63Å; R110-K114 WeakPolarHBondContact O-CB 3.49Å; R110-K114 WeakPolarHBondContact O-CD 3.1Å; R110-K114 WeakPolarHBondContact O-CG 3.18Å; R110-K114 PolarHBondContact O-N 2.8Å
111M67.3Low68.6Low95 Ų95106.9 Ų106.947%0.46855%0.548SS..Hα-helixtrans-74.1-37.3173.2-75.7-173.4-62.700110.8K107 V108 E109 K114 N115K107-M111 HydrophobicContact CG-CE 4.49Å; K107-M111 WeakPolarHBondContact O-CG 3.37Å; K107-M111 PolarHBondContact O-N 2.93Å; V108-M111 HydrophobicContact CG2-CE 4.12Å; V108-M111 CarbonylContact O-C 3.4Å; V108-M111 WeakPolarHBondContact O-CA 3.4Å; V108-M111 WeakPolarHBondContact O-CB 3.38Å; V108-M111 PolarHBondContact O-N 3.12Å; E109-M111 VanDerWaalsContact C-N 3.28Å; E109-M111 PolarHBondContact O-N 2.81Å; M111-K114 PolarHBondContact O-N 3Å; M111-N115 WeakPolarHBondContact O-CB 3.17Å; M111-N115 PolarHBondContact O-N 3.47Å; M111-N115 PolarHBondContact O-ND2 3.43Å; M111-N115 PolarHBondContact O-OD1 2.79Å
112N67.4Low67Low55 Ų55109.5 Ų109.529%0.29456%0.563SS.*Hα-helixtrans-69.2-42.7176-68-5.4000111.8V108 E109 K114 N115 L116V108-N112 VanDerWaalsContact O-CG 3.27Å; V108-N112 PolarHBondContact O-N 3.33Å; V108-N112 PolarHBondContact O-OD1 2.98Å; E109-N112 CarbonylContact O-C 3.55Å; E109-N112 PolarHBondContact O-N 3.05Å; E109-N112 VanDerWaalsContact O-N 3.12Å; N112-K114 VanDerWaalsContact C-N 3.33Å; N112-K114 PolarHBondContact O-N 3.21Å; N112-N115 CarbonylContact O-C 3.58Å; N112-N115 WeakPolarHBondContact O-CA 3.38Å; N112-N115 WeakPolarHBondContact O-CB 3.49Å; N112-N115 PolarHBondContact O-N 2.83Å; N112-L116 VanDerWaalsContact O-CD1 3.29Å; N112-L116 WeakPolarHBondContact O-CD1 3.5Å; N112-L116 PolarHBondContact O-N 2.83Å
113E70.2Confident65Low118 Ų118113.4 Ų113.455%0.55158%0.579SS**Hα-helixtrans-58.6-44.4173.6-76.1175.1160.800111.4E109 N115 L116 E117E109-E113 WeakPolarHBondContact O-CG 3.46Å; E109-E113 PolarHBondContact O-N 3.28Å; E113-N115 VanDerWaalsContact C-N 3.25Å; E113-N115 PolarHBondContact O-N 3.36Å; E113-L116 PolarHBondContact O-N 3.15Å; E113-E117 PolarHBondContact O-N 3.32Å
114K70.6Confident63.5Low126 Ų126120.2 Ų120.255%0.54860%0.597SS.*Hα-helixtrans-67.5-24.1175.4-73.2175.5-177.7-171.20113.6R110 M111 N112 K118R110-K114 WeakPolarHBondContact O-CB 3.49Å; R110-K114 WeakPolarHBondContact O-CD 3.1Å; R110-K114 WeakPolarHBondContact O-CG 3.18Å; R110-K114 PolarHBondContact O-N 2.8Å; M111-K114 PolarHBondContact O-N 3Å; N112-K114 VanDerWaalsContact C-N 3.33Å; N112-K114 PolarHBondContact O-N 3.21Å; K114-K118 WeakPolarHBondContact O-CG 3.29Å
115N59.3Low62.1Low95 Ų95126.8 Ų126.851%0.50862%0.623SS.*Hα-helixtrans-80-36.1172.8-72.3-14.8000111M111 N112 E113 K118M111-N115 WeakPolarHBondContact O-CB 3.17Å; M111-N115 PolarHBondContact O-N 3.47Å; M111-N115 PolarHBondContact O-ND2 3.43Å; M111-N115 PolarHBondContact O-OD1 2.79Å; N112-N115 CarbonylContact O-C 3.58Å; N112-N115 WeakPolarHBondContact O-CA 3.38Å; N112-N115 WeakPolarHBondContact O-CB 3.49Å; N112-N115 PolarHBondContact O-N 2.83Å; E113-N115 VanDerWaalsContact C-N 3.25Å; E113-N115 PolarHBondContact O-N 3.36Å; N115-K118 PolarHBondContact O-N 3.07Å
116L57.9Low61Low142 Ų142126.7 Ų126.774%0.74363%0.626SS**Hα-helixtrans-64.3-41.3171.8-96.5104.9000112.3N112 E113 K118 G119N112-L116 VanDerWaalsContact O-CD1 3.29Å; N112-L116 WeakPolarHBondContact O-CD1 3.5Å; N112-L116 PolarHBondContact O-N 2.83Å; E113-L116 PolarHBondContact O-N 3.15Å; L116-K118 PolarHBondContact O-N 3.11Å; L116-G119 PolarHBondContact O-N 3.44Å
117E59.5Low59.6Low170 Ų170123.5 Ų123.579%0.79462%0.622SS**THydrogen-bonded Turntrans-64.8-18.1176.2-75179.3167.100113.4E113E113-E117 PolarHBondContact O-N 3.32Å
118K60Low58.5Low170 Ų170123.6 Ų123.674%0.73963%0.627SS**THydrogen-bonded Turntrans-91.62.9177.9-75.8179.6179-179.10114.5K114 N115 L116K114-K118 WeakPolarHBondContact O-CG 3.29Å; N115-K118 PolarHBondContact O-N 3.07Å; L116-K118 PolarHBondContact O-N 3.11Å
119G51.4Low58Low61 Ų61124.9 Ų124.963%0.62964%0.641SS**THydrogen-bonded Turntrans6949165.900000115.8L116L116-G119 PolarHBondContact O-N 3.44Å
120V45.8Very low57.3Low124 Ų124125.8 Ų125.875%0.75264%0.64SS**  trans-94.2116164.7-177.80000108
121C33.5Very low56.5Low121 Ų121123.2 Ų123.282%0.81864%0.637SS**  trans-75.3139.6177.9-61.70000111.3E123C121-E123 PolarHBondContact O-N 3.42Å
122D49.2Very low56.8Low160 Ų160124.4 Ų124.486%0.85664%0.642SS**  trans-44.8117.5-179.7-85.2-77.4000115.1
123E42.5Very low56.8Low173 Ų173124.5 Ų124.581%0.80865%0.65SS**  trans-128.5123.1140.3-89.9-82.3143.700105.7C121 E125C121-E123 PolarHBondContact O-N 3.42Å; E123-E125 PolarHBondContact O-N 3.01Å
124K53.1Low56.4Low202 Ų202122 Ų12288%0.87864%0.64SS**  trans-33100.3-171.1-67.5166.8179.4170.50113.5D126K124-D126 PolarHBondContact O-N 3.01Å
125E51.8Low56.3Low168 Ų168122.4 Ų122.479%0.78564%0.644SS**  trans-71116.3172-66.8-174.516100109.3E123 N127E123-E125 PolarHBondContact O-N 3.01Å; E125-N127 PolarHBondContact O-N 3.41Å
126D55.6Low56.8Low109 Ų109123.4 Ų123.458%0.58365%0.646SS**  trans-59.2125.6-176.8-145.1-19.2000110.3K124 D128 A129 R130K124-D126 PolarHBondContact O-N 3.01Å; D126-D128 PolarHBondContact O-N 3.34Å; D126-A129 HydrophobicContact CB-CB 4.47Å; D126-A129 PolarHBondContact O-N 3.15Å; D126-R130 PolarHBondContact O-N 2.77Å
127N54.6Low57Low98 Ų98118.6 Ų118.652%0.52463%0.626SS.*Hα-helixtrans-61-22.1-175.2-89.1-74000112.1E125 R130 N131E125-N127 PolarHBondContact O-N 3.41Å; N127-R130 PolarHBondContact OD1-NH2 2.94Å; N127-N131 PolarHBondContact O-N 3.37Å
128D56.1Low57.2Low115 Ų115114 Ų11462%0.61561%0.607SS**Hα-helixtrans-72.1-39.6176.3-68.1-20.8000112.1D126 R130 N131 E132D126-D128 PolarHBondContact O-N 3.34Å; D128-R130 VanDerWaalsContact C-N 3.29Å; D128-R130 PolarHBondContact O-N 2.86Å; D128-N131 PolarHBondContact O-N 3.04Å; D128-E132 WeakPolarHBondContact O-CB 3.31Å; D128-E132 PolarHBondContact O-N 2.88Å
129A63.3Low57.3Low59 Ų59115.6 Ų115.649%0.48861%0.608SS.*Hα-helixtrans-65.1-35.5174.300000111.5D126 A133D126-A129 HydrophobicContact CB-CB 4.47Å; D126-A129 PolarHBondContact O-N 3.15Å; A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.38Å; A129-A133 PolarHBondContact O-N 3.13Å
130R58.8Low57.6Low129 Ų129119.4 Ų119.449%0.48761%0.61SS.*Hα-helixtrans-68.9-38.7174.8-168172.670.3147.6-1112.3D126 N127 D128 L134D126-R130 PolarHBondContact O-N 2.77Å; N127-R130 PolarHBondContact OD1-NH2 2.94Å; D128-R130 VanDerWaalsContact C-N 3.29Å; D128-R130 PolarHBondContact O-N 2.86Å; R130-L134 WeakPolarHBondContact O-CB 3.46Å; R130-L134 PolarHBondContact O-N 2.85Å
131N58.1Low57.9Low97 Ų97119.5 Ų119.552%0.51960%0.602SS.*Hα-helixtrans-70-38176.7-114.5-16.7000112N127 D128 L134 Q135N127-N131 PolarHBondContact O-N 3.37Å; D128-N131 PolarHBondContact O-N 3.04Å; N131-L134 WeakPolarHBondContact O-CB 3.25Å; N131-L134 PolarHBondContact O-N 2.97Å; N131-Q135 WeakPolarHBondContact O-CG 3.47Å; N131-Q135 PolarHBondContact O-N 3.02Å
132E73.9Confident58.8Low121 Ų121120.7 Ų120.757%0.56560%0.595SS**Hα-helixtrans-69.6-40.2177-160.8172.7-165.600111.6D128 L134 Q135 Q136D128-E132 WeakPolarHBondContact O-CB 3.31Å; D128-E132 PolarHBondContact O-N 2.88Å; E132-L134 VanDerWaalsContact C-N 3.32Å; E132-L134 PolarHBondContact O-N 3.24Å; E132-Q135 PolarHBondContact O-N 3.46Å; E132-Q136 WeakPolarHBondContact O-CG 3.42Å; E132-Q136 PolarHBondContact O-N 3.23Å
133A67.4Low58.5Low56 Ų56121.5 Ų121.546%0.46359%0.586SS.*Hα-helixtrans-63.1-36.1171.400000112.4A129 Q136 A137A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.38Å; A129-A133 PolarHBondContact O-N 3.13Å; A133-Q136 PolarHBondContact O-N 3.13Å; A133-A137 WeakPolarHBondContact O-CB 3.08Å; A133-A137 PolarHBondContact O-N 3.16Å
134L62Low58.6Low65 Ų65117.4 Ų117.434%0.3458%0.575SS.*Hα-helixtrans-66.6-41.7174.2-127115.4000111.8V108 R130 N131 E132 A137 L138V108-L134 HydrophobicContact CG1-CD1 4.2Å; V108-L134 HydrophobicContact CG2-CD1 4.02Å; V108-L134 HydrophobicContact CG2-CG 4.47Å; R130-L134 WeakPolarHBondContact O-CB 3.46Å; R130-L134 PolarHBondContact O-N 2.85Å; N131-L134 WeakPolarHBondContact O-CB 3.25Å; N131-L134 PolarHBondContact O-N 2.97Å; E132-L134 VanDerWaalsContact C-N 3.32Å; E132-L134 PolarHBondContact O-N 3.24Å; L134-A137 PolarHBondContact O-N 3.39Å; L134-L138 WeakPolarHBondContact O-CG 3.37Å; L134-L138 PolarHBondContact O-N 3.19Å
135Q68.3Low58.4Low135 Ų135112 Ų11263%0.63156%0.556SS**Hα-helixtrans-65.8-40.5175.6-75.7-177.521.600111.8N131 E132 L138 R139N131-Q135 WeakPolarHBondContact O-CG 3.47Å; N131-Q135 PolarHBondContact O-N 3.02Å; E132-Q135 PolarHBondContact O-N 3.46Å; Q135-L138 PolarHBondContact O-N 3.05Å; Q135-R139 WeakPolarHBondContact O-CB 3.37Å; Q135-R139 PolarHBondContact O-N 2.97Å
136Q69.8Low58.1Low116 Ų116108.1 Ų108.154%0.54255%0.545SS..Hα-helixtrans-65.1-42.3175.1-73.1179.77.900111.9E132 A133 L138 R139 E140E132-Q136 WeakPolarHBondContact O-CG 3.42Å; E132-Q136 PolarHBondContact O-N 3.23Å; A133-Q136 PolarHBondContact O-N 3.13Å; Q136-L138 PolarHBondContact O-N 2.8Å; Q136-R139 WeakPolarHBondContact O-CB 3.48Å; Q136-R139 PolarHBondContact O-N 3.26Å; Q136-E140 PolarHBondContact O-N 3.44Å
137A62.2Low57.6Low41 Ų41106 Ų10634%0.33954%0.543SS..Hα-helixtrans-66.4-35.2177.100000113.2A133 L134 E140 Q141A133-A137 WeakPolarHBondContact O-CB 3.08Å; A133-A137 PolarHBondContact O-N 3.16Å; L134-A137 PolarHBondContact O-N 3.39Å; A137-E140 PolarHBondContact O-N 2.89Å; A137-Q141 WeakPolarHBondContact O-CG 3.26Å; A137-Q141 PolarHBondContact O-N 3.49Å
138L63.3Low57.1Low73 Ų73108.6 Ų108.638%0.38255%0.549SS..Hα-helixtrans-68.6-38.2171.6-75170000111.6L134 Q135 Q136 E140 Q141 H142L134-L138 WeakPolarHBondContact O-CG 3.37Å; L134-L138 PolarHBondContact O-N 3.19Å; Q135-L138 PolarHBondContact O-N 3.05Å; Q136-L138 PolarHBondContact O-N 2.8Å; L138-E140 VanDerWaalsContact C-N 3.31Å; L138-E140 PolarHBondContact O-N 3.25Å; L138-Q141 PolarHBondContact O-N 3.08Å; L138-H142 PolarHBondContact O-CD2 3.36Å; L138-H142 PolarHBondContact O-N 3.18Å; L138-H142 VanDerWaalsContact O-N 3.08Å
139R62.6Low56.3Low205 Ų205107.4 Ų107.477%0.77454%0.541SS*.Hα-helixtrans-63.7-35.7174.1-133172.7-175.8179.41.1112Q135 Q136 H142 R143Q135-R139 WeakPolarHBondContact O-CB 3.37Å; Q135-R139 PolarHBondContact O-N 2.97Å; Q136-R139 WeakPolarHBondContact O-CB 3.48Å; Q136-R139 PolarHBondContact O-N 3.26Å; R139-H142 PolarHBondContact O-N 2.98Å; R139-R143 PolarHBondContact O-N 3.47Å
140E57.2Low55.1Low140 Ų140107.2 Ų107.265%0.65454%0.54SS*.Hα-helixtrans-74.2-32.8175-77.8179.3152.800113.4Q136 A137 L138 H142 R143Q136-E140 PolarHBondContact O-N 3.44Å; A137-E140 PolarHBondContact O-N 2.89Å; L138-E140 VanDerWaalsContact C-N 3.31Å; L138-E140 PolarHBondContact O-N 3.25Å; E140-H142 VanDerWaalsContact C-N 3.31Å; E140-R143 PolarHBondContact O-N 3.47Å
141Q53.3Low54Low127 Ų127109 Ų10959%0.59355%0.551SS**Hα-helixtrans-69.5-28.7171.5-73.8-172.322.700113A137 L138A137-Q141 WeakPolarHBondContact O-CG 3.26Å; A137-Q141 PolarHBondContact O-N 3.49Å; L138-Q141 PolarHBondContact O-N 3.08Å
142H51Low53.2Low146 Ų146108.9 Ų108.968%0.67655%0.553SS**SBendtrans-87.6-4.6171.9-84-81.8000113.9L138 R139 E140 P144L138-H142 PolarHBondContact O-CD2 3.36Å; L138-H142 PolarHBondContact O-N 3.18Å; L138-H142 VanDerWaalsContact O-N 3.08Å; R139-H142 PolarHBondContact O-N 2.98Å; E140-H142 VanDerWaalsContact C-N 3.31Å; H142-P144 WeakPolarHBondContact O-CD 3.23Å
143R44.8Very low51.5Low176 Ų176109.4 Ų109.466%0.66456%0.556SS**SBendtrans-79.9119.4174.7-170.2175.2179.7158.20.6108.9R139 E140 N145R139-R143 PolarHBondContact O-N 3.47Å; E140-R143 PolarHBondContact O-N 3.47Å; R143-N145 PolarHBondContact O-N 3.47Å
144P44.5Very low50Low87 Ų87112 Ų11257%0.56557%0.566SS**PPolyproline II helixtrans-59.6127.5173.323-30.3000109.3H142 P146 M149H142-P144 WeakPolarHBondContact O-CD 3.23Å; P144-P146 WeakPolarHBondContact O-CD 3.42Å; P144-M149 HydrophobicContact CB-SD 4.12Å; P144-M149 HydrophobicContact CG-SD 4.07Å
145N47.7Very low48.7Very low90 Ų90111.9 Ų111.948%0.48158%0.575SS.*PPolyproline II helixtrans-60119-175.8-177-11.6000110.3R143 A147 K148 M149R143-N145 PolarHBondContact O-N 3.47Å; N145-A147 PolarHBondContact O-N 3.48Å; N145-A147 WeakPolarHBondContact OD1-CB 3.27Å; N145-A147 PolarHBondContact OD1-N 2.98Å; N145-A147 VanDerWaalsContact OD1-N 3.08Å; N145-K148 HydrophobicContact CB-CB 4.4Å; N145-K148 WeakPolarHBondContact O-CA 3.27Å; N145-K148 PolarHBondContact O-N 3.01Å; N145-M149 PolarHBondContact O-N 3.34Å; N145-M149 VanDerWaalsContact O-N 3.07Å
146P45.6Very low47Very low85 Ų85108.9 Ų108.955%0.55257%0.572SS**Hα-helixtrans-63.1-24.1-177.523.6-32.1000112.8P144 K148 M149 A150P144-P146 WeakPolarHBondContact O-CD 3.42Å; P146-K148 VanDerWaalsContact C-N 3.32Å; P146-K148 PolarHBondContact O-N 3.46Å; P146-M149 PolarHBondContact O-N 2.94Å; P146-A150 PolarHBondContact O-N 2.96Å
147A44.6Very low45.4Very low66 Ų66107.2 Ų107.255%0.54558%0.579SS.*Hα-helixtrans-72.3-24173.700000113N145N145-A147 PolarHBondContact O-N 3.48Å; N145-A147 WeakPolarHBondContact OD1-CB 3.27Å; N145-A147 PolarHBondContact OD1-N 2.98Å; N145-A147 VanDerWaalsContact OD1-N 3.08Å
148K45.2Very low44.3Very low152 Ų152113.5 Ų113.566%0.66160%0.598SS**Hα-helixtrans-82.2-31.7167.4-78.3-175176.5-179.60111.4N145 P146 V152N145-K148 HydrophobicContact CB-CB 4.4Å; N145-K148 WeakPolarHBondContact O-CA 3.27Å; N145-K148 PolarHBondContact O-N 3.01Å; P146-K148 VanDerWaalsContact C-N 3.32Å; P146-K148 PolarHBondContact O-N 3.46Å; K148-V152 WeakPolarHBondContact O-CB 3.25Å; K148-V152 WeakPolarHBondContact O-CG2 3.43Å; K148-V152 PolarHBondContact O-N 3.46Å
149M38.7Very low43.3Very low89 Ų89114 Ų11444%0.43861%0.613SS.*Hα-helixtrans-69.2-35.3173.8-63.5-176.17600112.4P144 N145 P146 V152 Q153P144-M149 HydrophobicContact CB-SD 4.12Å; P144-M149 HydrophobicContact CG-SD 4.07Å; N145-M149 PolarHBondContact O-N 3.34Å; N145-M149 VanDerWaalsContact O-N 3.07Å; P146-M149 PolarHBondContact O-N 2.94Å; M149-V152 CarbonylContact O-C 3.57Å; M149-V152 PolarHBondContact O-N 3.06Å; M149-Q153 VanDerWaalsContact O-CB 3.28Å; M149-Q153 WeakPolarHBondContact O-CB 3.5Å; M149-Q153 WeakPolarHBondContact O-CG 3.38Å; M149-Q153 PolarHBondContact O-N 3.49Å
150A37.6Very low43.3Very low56 Ų56112.2 Ų112.246%0.46361%0.613SS.*Hα-helixtrans-68.7-39.7174.800000112.6P146 Q153 T154P146-A150 PolarHBondContact O-N 2.96Å; A150-Q153 PolarHBondContact O-N 3.1Å; A150-T154 PolarHBondContact O-N 2.99Å; A150-T154 VanDerWaalsContact O-N 3.1Å; A150-T154 PolarHBondContact O-OG1 3.39Å
151K36.8Very low43.9Very low167 Ų167110.9 Ų110.973%0.72661%0.606SS**Hα-helixtrans-72.7-28.3172.8-112.2178.9179.8178.60113.2A155K151-A155 WeakPolarHBondContact O-CB 3.3Å; K151-A155 PolarHBondContact O-N 3.13Å; K151-A155 VanDerWaalsContact O-N 3.15Å
152V39.8Very low44.9Very low93 Ų93106.5 Ų106.556%0.56459%0.588SS**Hα-helixtrans-77.2-29.6172.8169.50000111.1K148 M149 A156K148-V152 WeakPolarHBondContact O-CB 3.25Å; K148-V152 WeakPolarHBondContact O-CG2 3.43Å; K148-V152 PolarHBondContact O-N 3.46Å; M149-V152 CarbonylContact O-C 3.57Å; M149-V152 PolarHBondContact O-N 3.06Å; V152-A156 WeakPolarHBondContact O-CA 3.39Å; V152-A156 WeakPolarHBondContact O-CB 3.38Å; V152-A156 PolarHBondContact O-N 3.11Å
153Q38.8Very low46.2Very low133 Ų133101.5 Ų101.562%0.62157%0.569SS**Hα-helixtrans-77.2-33.4175.6-76.1172.67.100112.5M149 A150M149-Q153 VanDerWaalsContact O-CB 3.28Å; M149-Q153 WeakPolarHBondContact O-CB 3.5Å; M149-Q153 WeakPolarHBondContact O-CG 3.38Å; M149-Q153 PolarHBondContact O-N 3.49Å; A150-Q153 PolarHBondContact O-N 3.1Å
154T35.9Very low47.8Very low111 Ų11194.6 Ų94.668%0.68154%0.542SS*.Hα-helixtrans-80.8-15.4171.661.90000113.9A150A150-T154 PolarHBondContact O-N 2.99Å; A150-T154 VanDerWaalsContact O-N 3.1Å; A150-T154 PolarHBondContact O-OG1 3.39Å
155A35.4Very low49.1Very low62 Ų6294.9 Ų94.951%0.51254%0.538SS..Hα-helixtrans-95-28.4171.700000113.2K151 A157 K158K151-A155 WeakPolarHBondContact O-CB 3.3Å; K151-A155 PolarHBondContact O-N 3.13Å; K151-A155 VanDerWaalsContact O-N 3.15Å; A155-A157 PolarHBondContact O-N 3.22Å; A155-K158 CarbonylContact O-C 3.57Å; A155-K158 PolarHBondContact O-N 3Å; A155-K158 VanDerWaalsContact O-N 3.15Å
156A32Very low50.7Low71 Ų7193.6 Ų93.659%0.58753%0.533SS*.Hα-helixtrans-69.9-15.6172.700000112.5V152 K158V152-A156 WeakPolarHBondContact O-CA 3.39Å; V152-A156 WeakPolarHBondContact O-CB 3.38Å; V152-A156 PolarHBondContact O-N 3.11Å; A156-K158 PolarHBondContact O-N 3.16Å
157A36.4Very low52.5Low81 Ų8189.9 Ų89.967%0.66951%0.508SS*.THydrogen-bonded Turntrans-76-4.7170.600000114A155A155-A157 PolarHBondContact O-N 3.22Å
158K38.7Very low54.2Low173 Ų17389.7 Ų89.775%0.75250%0.497SS*.THydrogen-bonded Turntrans-148.363165.7-72.6-170.4178.1-176.90110.4A155 A156 E160A155-K158 CarbonylContact O-C 3.57Å; A155-K158 PolarHBondContact O-N 3Å; A155-K158 VanDerWaalsContact O-N 3.15Å; A156-K158 PolarHBondContact O-N 3.16Å; K158-E160 PolarHBondContact O-N 2.88Å
159A43.4Very low55.9Low84 Ų8486.6 Ų86.669%0.69449%0.485SS*.  trans-71.491.6150.700000105.5K161A159-K161 PolarHBondContact O-N 2.98Å; A159-K161 VanDerWaalsContact O-N 3.1Å
160E62.8Low57.9Low167 Ų16786.3 Ų86.378%0.7848%0.483SS*.PPolyproline II helixtrans-51.8121.6173.9-72.4-177.8169.300107.5K158K158-E160 PolarHBondContact O-N 2.88Å
161K68.6Low59.8Low113 Ų11385.2 Ų85.249%0.49147%0.468SS..PPolyproline II helixtrans-51.4135.3177.5-68.6-176.9-177.5-169.80107.4A159 V166 E169A159-K161 PolarHBondContact O-N 2.98Å; A159-K161 VanDerWaalsContact O-N 3.1Å; K161-V166 HydrophobicContact CB-CG2 3.55Å; K161-V166 HydrophobicContact CD-CG2 4.39Å; K161-E169 IonicContact NZ-OE1 2.67Å; K161-E169 PolarHBondContact NZ-OE1 3.3Å; K161-E169 IonicContact NZ-OE2 2.79Å; K161-E169 PolarHBondContact NZ-OE2 3.27Å
162P75.6Confident61.8Low35 Ų3581 Ų8123%0.22746%0.456CS..PPolyproline II helixtrans-55.7139.8-179.722.2-31.9000109.2R164 M165 V166 Y292P162-R164 PolarHBondContact O-N 3.1Å; P162-M165 HydrophobicContact CG-CB 4.08Å; P162-M165 HydrophobicContact CG-CG 3.63Å; P162-M165 PolarHBondContact O-N 3.12Å; P162-V166 PolarHBondContact O-N 2.85Å; P162-Y292 HydrophobicContact CB-CE1 3.84Å
163P77.8Confident63.5Low41 Ų4183.9 Ų83.927%0.26646%0.461SS..Hα-helixtrans-50-36.7-172.3-30.634.8000113.5M165 V166 W167 Y292P163-M165 PolarHBondContact O-N 3.15Å; P163-V166 PolarHBondContact O-N 3.5Å; P163-W167 WeakPolarHBondContact O-CB 3.39Å; P163-W167 PolarHBondContact O-N 3.41Å; P163-Y292 HydrophobicContact CG-CD1 4.34Å
164R77.6Confident65.2Low30 Ų3080 Ų8011%0.11344%0.441CS..Hα-helixtrans-54.1-46.4173.4175.2173.4-179.3-174.76.4114.8P162 L168 G278 V280 N285P162-R164 PolarHBondContact O-N 3.1Å; R164-L168 HydrophobicContact CG-CD1 4.2Å; R164-L168 WeakPolarHBondContact O-CG 3.29Å; R164-L168 PolarHBondContact O-N 3.5Å; R164-G278 WeakPolarHBondContact CA-O 3.38Å; R164-G278 WeakPolarHBondContact CB-O 3.42Å; R164-G278 PolarHBondContact N-O 2.98Å; R164-V280 HydrophobicContact CB-CG2 4.2Å; R164-V280 HydrophobicContact CG-CG2 3.65Å; R164-N285 PolarHBondContact NH1-O 3.48Å; R164-N285 PolarHBondContact NH2-O 3.18Å
165M71.9Confident66.5Low94 Ų9482 Ų8246%0.46344%0.436SS..Hα-helixtrans-72.5-37.7-177.7-69.2-66.9-6600110.8P162 P163 W167 L168 E169P162-M165 HydrophobicContact CG-CB 4.08Å; P162-M165 HydrophobicContact CG-CG 3.63Å; P162-M165 PolarHBondContact O-N 3.12Å; P163-M165 PolarHBondContact O-N 3.15Å; M165-W167 VanDerWaalsContact C-N 3.35Å; M165-L168 PolarHBondContact O-N 3.48Å; M165-E169 WeakPolarHBondContact O-CB 3.43Å; M165-E169 VanDerWaalsContact O-CG 3.3Å; M165-E169 WeakPolarHBondContact O-CG 3.33Å; M165-E169 PolarHBondContact O-N 3.2Å
166V81.4Confident68.1Low63 Ų6384.9 Ų84.938%0.38244%0.439SS..Hα-helixtrans-61.9-46.1174.6-178.50000110.3K161 P162 P163 L168 E169 E170K161-V166 HydrophobicContact CB-CG2 3.55Å; K161-V166 HydrophobicContact CD-CG2 4.39Å; P162-V166 PolarHBondContact O-N 2.85Å; P163-V166 PolarHBondContact O-N 3.5Å; V166-L168 PolarHBondContact O-N 3.44Å; V166-E169 PolarHBondContact O-N 3.15Å; V166-E170 WeakPolarHBondContact O-CB 3.39Å; V166-E170 PolarHBondContact O-N 3.21Å
167W83.8Confident69.9Low6 Ų691.6 Ų91.62%0.02345%0.449CS..Hα-helixtrans-62.9-42.3177.8-178.677.5000112.6P163 M165 E170 Q171 Y270 E273 K274P163-W167 WeakPolarHBondContact O-CB 3.39Å; P163-W167 PolarHBondContact O-N 3.41Å; M165-W167 VanDerWaalsContact C-N 3.35Å; W167-E170 PolarHBondContact O-N 3.41Å; W167-Q171 HydrophobicContact CD2-CG 4.15Å; W167-Q171 HydrophobicContact CE3-CG 4.28Å; W167-Q171 HydrophobicContact CH2-CG 3.83Å; W167-Q171 HydrophobicContact CZ2-CG 3.69Å; W167-Q171 HydrophobicContact CZ3-CG 4.13Å; W167-Q171 WeakPolarHBondContact O-CG 3.38Å; W167-Q171 PolarHBondContact O-N 3.4Å; W167-Y270 HydrophobicContact CH2-CE2 4.03Å; W167-Y270 AromaticContact CZ2-CE2 3.93Å; W167-Y270 HydrophobicContact CZ2-CE2 3.93Å; W167-E273 PolarHBondContact NE1-OE1 3.13Å; W167-K274 HydrophobicContact CH2-CB 3.97Å; W167-K274 HydrophobicContact CH2-CD 4.05Å; W167-K274 HydrophobicContact CH2-CG 3.77Å; W167-K274 HydrophobicContact CZ2-CB 4Å; W167-K274 HydrophobicContact CZ2-CG 4.29Å; W167-K274 HydrophobicContact CZ3-CG 4.13Å
168L79.8Confident70.9Confident62 Ų6292.8 Ų92.833%0.32544%0.44SS..Hα-helixtrans-63.6-45.6175.8-75.4168000112.3R164 M165 V166 E170 Q171 V172R164-L168 HydrophobicContact CG-CD1 4.2Å; R164-L168 WeakPolarHBondContact O-CG 3.29Å; R164-L168 PolarHBondContact O-N 3.5Å; M165-L168 PolarHBondContact O-N 3.48Å; V166-L168 PolarHBondContact O-N 3.44Å; L168-E170 PolarHBondContact O-N 3.45Å; L168-Q171 PolarHBondContact O-N 3.14Å; L168-V172 WeakPolarHBondContact O-CG2 3.46Å; L168-V172 PolarHBondContact O-N 3.14Å
169E81.4Confident71.5Confident88 Ų8888.6 Ų88.641%0.41142%0.424SS..Hα-helixtrans-59.3-37.5174.8-73.2173.2-178.200111.4K161 M165 V166 K173K161-E169 IonicContact NZ-OE1 2.67Å; K161-E169 PolarHBondContact NZ-OE1 3.3Å; K161-E169 IonicContact NZ-OE2 2.79Å; K161-E169 PolarHBondContact NZ-OE2 3.27Å; M165-E169 WeakPolarHBondContact O-CB 3.43Å; M165-E169 VanDerWaalsContact O-CG 3.3Å; M165-E169 WeakPolarHBondContact O-CG 3.33Å; M165-E169 PolarHBondContact O-N 3.2Å; V166-E169 PolarHBondContact O-N 3.15Å; E169-K173 WeakPolarHBondContact O-CB 3.43Å; E169-K173 PolarHBondContact O-N 3.29Å
170E80.4Confident71.6Confident83 Ų8386.7 Ų86.739%0.38841%0.412SS..Hα-helixtrans-72.7-34178.5-166.9162.8-158.900113V166 W167 L168 R174 L221V166-E170 WeakPolarHBondContact O-CB 3.39Å; V166-E170 PolarHBondContact O-N 3.21Å; W167-E170 PolarHBondContact O-N 3.41Å; L168-E170 PolarHBondContact O-N 3.45Å; E170-R174 PolarHBondContact O-N 3.28Å; E170-L221 HydrophobicContact CG-CD1 4.35Å; E170-L221 WeakPolarHBondContact OE1-CD2 3.47Å
171Q77Confident70.5Confident33 Ų3381.1 Ų81.115%0.15440%0.399CS..Hα-helixtrans-64.6-45.6170.5-67.8-48.2-73.300111.6W167 L168 K173 R174 R175 E273W167-Q171 HydrophobicContact CD2-CG 4.15Å; W167-Q171 HydrophobicContact CE3-CG 4.28Å; W167-Q171 HydrophobicContact CH2-CG 3.83Å; W167-Q171 HydrophobicContact CZ2-CG 3.69Å; W167-Q171 HydrophobicContact CZ3-CG 4.13Å; W167-Q171 WeakPolarHBondContact O-CG 3.38Å; W167-Q171 PolarHBondContact O-N 3.4Å; L168-Q171 PolarHBondContact O-N 3.14Å; Q171-K173 VanDerWaalsContact C-N 3.31Å; Q171-K173 PolarHBondContact O-N 3.26Å; Q171-R174 PolarHBondContact O-N 3.1Å; Q171-R175 WeakPolarHBondContact O-CB 3.39Å; Q171-R175 PolarHBondContact O-N 3.11Å; Q171-E273 PolarHBondContact NE2-OE1 3.37Å
172V79.2Confident68.9Low79 Ų7982.6 Ų82.648%0.47941%0.408SS..Hα-helixtrans-58.9-46.3177.3172.40000110.1L168 R174 R175 E176L168-V172 WeakPolarHBondContact O-CG2 3.46Å; L168-V172 PolarHBondContact O-N 3.14Å; V172-R174 VanDerWaalsContact C-N 3.33Å; V172-R174 PolarHBondContact O-N 3.41Å; V172-R175 PolarHBondContact O-N 2.89Å; V172-E176 HydrophobicContact CG1-CG 4.32Å; V172-E176 WeakPolarHBondContact O-CB 3.46Å; V172-E176 WeakPolarHBondContact O-CG 3.3Å; V172-E176 PolarHBondContact O-N 3.02Å
173K76.1Confident66.7Low152 Ų15284 Ų8466%0.66142%0.423SS*.Hα-helixtrans-63.7-34.8177.7-170.9178.7-179.7-177.30113.4E169 Q171 R177E169-K173 WeakPolarHBondContact O-CB 3.43Å; E169-K173 PolarHBondContact O-N 3.29Å; Q171-K173 VanDerWaalsContact C-N 3.31Å; Q171-K173 PolarHBondContact O-N 3.26Å; K173-R177 WeakPolarHBondContact O-CB 3.47Å; K173-R177 PolarHBondContact O-N 3.41Å; K173-R177 VanDerWaalsContact O-N 3.09Å
174R74.4Confident64.6Low52 Ų5286.1 Ų86.120%0.19644%0.443CS..Hα-helixtrans-67.3-46.3173.7-91.5176.962.2-159.7-8.4111.2E170 Q171 V172 E176 R177 E178 S218 E273E170-R174 PolarHBondContact O-N 3.28Å; Q171-R174 PolarHBondContact O-N 3.1Å; V172-R174 VanDerWaalsContact C-N 3.33Å; V172-R174 PolarHBondContact O-N 3.41Å; R174-E176 PolarHBondContact O-N 3.23Å; R174-R177 WeakPolarHBondContact O-CB 3.18Å; R174-R177 PolarHBondContact O-N 3.04Å; R174-R177 VanDerWaalsContact O-N 3.12Å; R174-E178 WeakPolarHBondContact O-CG 2.98Å; R174-E178 PolarHBondContact O-N 3.33Å; R174-S218 VanDerWaalsContact CZ-OG 3.24Å; R174-S218 PolarHBondContact NE-OG 3.44Å; R174-S218 PolarHBondContact NH2-OG 3.49Å; R174-E273 IonicContact NH1-OE1 2.78Å; R174-E273 IonicContact NH1-OE2 3.79Å; R174-E273 PolarHBondContact NH1-OE2 3.37Å
175R62.5Low62.4Low153 Ų15388.6 Ų88.658%0.57747%0.47SS*.Hα-helixtrans-60.7-44.2176.8-168.7172.9-175.6-75.1-12.1111.6Q171 V172 R177 E178 E179Q171-R175 WeakPolarHBondContact O-CB 3.39Å; Q171-R175 PolarHBondContact O-N 3.11Å; V172-R175 PolarHBondContact O-N 2.89Å; R175-R177 VanDerWaalsContact C-N 3.3Å; R175-R177 PolarHBondContact O-N 3.36Å; R175-E178 PolarHBondContact O-N 3.05Å; R175-E179 HydrophobicContact CG-CG 4.46Å; R175-E179 IonicContact CZ-OE1 3.12Å; R175-E179 IonicContact CZ-OE2 3.89Å; R175-E179 IonicContact NE-OE1 3.92Å; R175-E179 VanDerWaalsContact NH1-CD 3.32Å; R175-E179 IonicContact NH1-OE1 2.63Å; R175-E179 PolarHBondContact NH1-OE1 3.11Å; R175-E179 IonicContact NH1-OE2 3.06Å; R175-E179 PolarHBondContact NH1-OE2 3.43Å; R175-E179 VanDerWaalsContact NH1-OE2 3.12Å; R175-E179 IonicContact NH2-OE1 3.88Å; R175-E179 PolarHBondContact NH2-OE1 2.79Å; R175-E179 WeakPolarHBondContact O-CB 3.45Å; R175-E179 WeakPolarHBondContact O-CG 3.15Å; R175-E179 PolarHBondContact O-N 3.17Å
176E68.3Low60.7Low122 Ų12291.7 Ų91.757%0.5748%0.484SS*.Hα-helixtrans-63.5-32174.5-73175.1166.200113.1V172 R174 G180V172-E176 HydrophobicContact CG1-CG 4.32Å; V172-E176 WeakPolarHBondContact O-CB 3.46Å; V172-E176 WeakPolarHBondContact O-CG 3.3Å; V172-E176 PolarHBondContact O-N 3.02Å; R174-E176 PolarHBondContact O-N 3.23Å; E176-G180 WeakPolarHBondContact O-CA 3.45Å; E176-G180 PolarHBondContact O-N 2.93Å
177R70.1Confident58.2Low212 Ų21297.4 Ų97.480%0.851%0.506SS*.Hα-helixtrans-74.8-35.5175.5-175.9-179.6179.3-158.1-1.3112.1K173 R174 R175 G181K173-R177 WeakPolarHBondContact O-CB 3.47Å; K173-R177 PolarHBondContact O-N 3.41Å; K173-R177 VanDerWaalsContact O-N 3.09Å; R174-R177 WeakPolarHBondContact O-CB 3.18Å; R174-R177 PolarHBondContact O-N 3.04Å; R174-R177 VanDerWaalsContact O-N 3.12Å; R175-R177 VanDerWaalsContact C-N 3.3Å; R175-R177 PolarHBondContact O-N 3.36Å; R177-G181 PolarHBondContact O-N 3.06Å
178E58Low55.7Low106 Ų106105.5 Ų105.550%0.49554%0.544SS..Hα-helixtrans-71.3-49.1176.1-72166.1-172.900110R174 R175 G180 G181R174-E178 WeakPolarHBondContact O-CG 2.98Å; R174-E178 PolarHBondContact O-N 3.33Å; R175-E178 PolarHBondContact O-N 3.05Å; E178-G180 PolarHBondContact O-N 3.4Å; E178-G181 PolarHBondContact O-N 3.02Å
179E52Low53.4Low86 Ų86114.1 Ų114.140%0.40257%0.573SS.*Hα-helixtrans-66.4-36175.4-69.3177.615300112.5R175 G181 E182 A183R175-E179 HydrophobicContact CG-CG 4.46Å; R175-E179 IonicContact CZ-OE1 3.12Å; R175-E179 IonicContact CZ-OE2 3.89Å; R175-E179 IonicContact NE-OE1 3.92Å; R175-E179 VanDerWaalsContact NH1-CD 3.32Å; R175-E179 IonicContact NH1-OE1 2.63Å; R175-E179 PolarHBondContact NH1-OE1 3.11Å; R175-E179 IonicContact NH1-OE2 3.06Å; R175-E179 PolarHBondContact NH1-OE2 3.43Å; R175-E179 VanDerWaalsContact NH1-OE2 3.12Å; R175-E179 IonicContact NH2-OE1 3.88Å; R175-E179 PolarHBondContact NH2-OE1 2.79Å; R175-E179 WeakPolarHBondContact O-CB 3.45Å; R175-E179 WeakPolarHBondContact O-CG 3.15Å; R175-E179 PolarHBondContact O-N 3.17Å; E179-G181 VanDerWaalsContact C-N 3.29Å; E179-G181 PolarHBondContact O-N 3.5Å; E179-E182 PolarHBondContact O-N 3.21Å; E179-A183 PolarHBondContact O-N 2.95Å
180G43.9Very low51Low44 Ų44118.8 Ų118.845%0.45459%0.594SS.*Hα-helixtrans-74.8-15.117600000114.4E176 E178E176-G180 WeakPolarHBondContact O-CA 3.45Å; E176-G180 PolarHBondContact O-N 2.93Å; E178-G180 PolarHBondContact O-N 3.4Å
181G40.4Very low48.6Very low49 Ų49122.2 Ų122.251%0.50562%0.615SS.*Hα-helixtrans-78.5-28.5171.300000112.8R177 E178 E179R177-G181 PolarHBondContact O-N 3.06Å; E178-G181 PolarHBondContact O-N 3.02Å; E179-G181 VanDerWaalsContact C-N 3.29Å; E179-G181 PolarHBondContact O-N 3.5Å
182E35.2Very low46.5Very low145 Ų145127.5 Ų127.568%0.67865%0.65SS**Hα-helixtrans-79.1-35.4175.8-68.2176.8161.400111.6E179 A184 A185E179-E182 PolarHBondContact O-N 3.21Å; E182-A184 PolarHBondContact O-N 2.99Å; E182-A185 PolarHBondContact O-N 3.41Å; E182-A185 VanDerWaalsContact O-N 3.14Å
183A30.2Very low44.2Very low65 Ų65131.4 Ų131.454%0.53767%0.668SS.*THydrogen-bonded Turntrans-66.6-19.6176.600000114.5E179E179-A183 PolarHBondContact O-N 2.95Å
184A32.3Very low42Very low84 Ų84130.7 Ų130.769%0.69467%0.671SS**THydrogen-bonded Turntrans-84.7-9.217600000113.4E182E182-A184 PolarHBondContact O-N 2.99Å
185A33Very low39.9Very low83 Ų83134.5 Ų134.569%0.68670%0.696SS**SBendtrans-96-5.2179.700000113.6E182E182-A185 PolarHBondContact O-N 3.41Å; E182-A185 VanDerWaalsContact O-N 3.14Å
186E34.3Very low38.4Very low159 Ų159134.2 Ų134.274%0.74371%0.705SS**SBendtrans-104.3-0.4-177.7-68.5-168.2160.500114.7
187E30.5Very low36.7Very low183 Ų183134.9 Ų134.986%0.85571%0.713SS**SBendtrans-10928.5179.9-69.4-159.7166.100114.9
188E31.4Very low34.9Very low176 Ų176133 Ų13382%0.82272%0.715SS**  trans-118.873.6169.2-166.3171.9-175.100110.7
189W31.7Very low33.6Very low242 Ų242136.5 Ų136.592%0.91773%0.732SS**  trans-121.473.9160.2-68.497.1000107.5
190E30.1Very low32.6Very low186 Ų186141.3 Ų141.387%0.86975%0.754SS**  trans-93.4142.2162-81.8-170162.100109.8
191D29.5Very low31.8Very low155 Ų155146.5 Ų146.583%0.82977%0.771SS**  trans-56.3136.1-164.3-61.1-69.8000114.7D193D191-D193 PolarHBondContact O-N 3.44Å
192V32.8Very low31.3Very low144 Ų144150.6 Ų150.687%0.87379%0.786SS**  trans-73.9104.7169178.20000108.4
193D31.3Very low30.9Very low162 Ų162151.4 Ų151.487%0.86680%0.795SS**  trans-104.1134.4158.8-96.2-31.8000110D191D191-D193 PolarHBondContact O-N 3.44Å
194D30.1Very low30.9Very low137 Ų137157 Ų15773%0.73381%0.811SS**  trans-80.9158.6-171.7-156.113.4000112.1
195D30.9Very low30.7Very low132 Ų132162.4 Ų162.471%0.70682%0.821SS**  trans85.8130.4160.8-73.1-33.1000123.6
196D31.3Very low30.5Very low146 Ų146167 Ų16778%0.78183%0.829SS**  trans93.7105144.7-75.9-22.9000122.6
197D32.9Very low30.3Very low137 Ų137169.2 Ų169.273%0.73384%0.839SS**  77.2106.5117.5-152.428.5000119.8
198M30.4Very low30Very low172 Ų172169 Ų16985%0.84784%0.84SS**  170132.3113.3-90.3-162-142.600113.1
199E32.3Very low29.7Very low179 Ų179169.3 Ų169.384%0.83684%0.842SS**  trans-72.9145.7164.1-62.8177.9156.300111.7
200E29.5Very low29.3Very low188 Ų188167.1 Ų167.188%0.87984%0.842SS**  166.2143.3116.7-93-174.3170.100112.5
201D28.2Very low29Very low152 Ų152166.8 Ų166.881%0.81384%0.84SS**  trans-60.6149.4-174-52.5-67.4000116
202V28.7Very low28.9Very low135 Ų135167.4 Ų167.482%0.81884%0.838SS**  trans-156.8122.3132-172.60000110.4
203D28.2Very low28.8Very low162 Ų162164.7 Ų164.787%0.86684%0.839SS**  trans-62.9126.7163.2-78.2-55.9000111.7
204E30Very low28.5Very low183 Ų183160.8 Ų160.886%0.85582%0.824SS**  trans-147108.7154.3-108.3171.7-164.900109.9E206E204-E206 PolarHBondContact O-N 2.88Å
205E28.1Very low28.4Very low197 Ų197159.5 Ų159.592%0.92183%0.826SS**  trans-67.2109.9168.8-65.4-179.1161.600109.6
206E28.2Very low28.4Very low180 Ų180156.6 Ų156.684%0.84183%0.827SS**  trans-134.2128.8156.4-78.8-161.3156.300111.4E204 M208E204-E206 PolarHBondContact O-N 2.88Å; E206-M208 PolarHBondContact O-N 3.43Å
207Q30.4Very low28.7Very low205 Ų205154.7 Ų154.796%0.95882%0.821SS**  trans-53.7115.2178-77.4153.41.600111.5
208M23.8Very low29.3Very low180 Ų180150 Ų15089%0.88780%0.799SS**  trans-123.2132.5157.4-101.6-177.8-97.100109.3E206E206-M208 PolarHBondContact O-N 3.43Å
209E24.7Very low30.3Very low181 Ų181144.3 Ų144.385%0.84678%0.784SS**  trans-52.7135.2-170.7-61.8170.2150.400111.5E211E209-E211 PolarHBondContact O-N 2.91Å
210E23.8Very low31.4Very low196 Ų196140.3 Ų140.392%0.91677%0.774SS**  trans-62.183.8165.7-69.8177.5157.800108.5E212E210-E212 PolarHBondContact O-N 3.02Å; E210-E212 VanDerWaalsContact O-N 3.09Å
211E24.6Very low33Very low180 Ų180132.4 Ų132.484%0.84174%0.737SS**  trans-64.2103.9158.1-85.5-93.6144.600106.4E209 G213E209-E211 PolarHBondContact O-N 2.91Å; E211-G213 PolarHBondContact O-N 3.39Å; E211-G213 VanDerWaalsContact O-N 3.1Å
212E28Very low34.9Very low168 Ų168131 Ų13179%0.78574%0.737SS**  trans-50.3118177.2-67.6-158.4162.200110.7E210 S214E210-E212 PolarHBondContact O-N 3.02Å; E210-E212 VanDerWaalsContact O-N 3.09Å; E212-S214 PolarHBondContact O-N 2.91Å
213G28.9Very low37.1Very low86 Ų86127.1 Ų127.189%0.88772%0.723SS**  trans-61.174.9152.200000109.7E211 S215E211-G213 PolarHBondContact O-N 3.39Å; E211-G213 VanDerWaalsContact O-N 3.1Å; G213-S215 PolarHBondContact O-N 3.46Å
214S25.2Very low39.7Very low81 Ų81121 Ų12157%0.56669%0.694SS**  trans-87.492.6174.4-166.10000108.4E212 G216E212-S214 PolarHBondContact O-N 2.91Å; S214-G216 PolarHBondContact O-N 3.27Å
215S27.7Very low42.4Very low110 Ų110113.4 Ų113.477%0.76966%0.659SS**  trans-37.6113.8156.9151.50000109G213 T217G213-S215 PolarHBondContact O-N 3.46Å; S215-T217 VanDerWaalsContact C-N 3.31Å; S215-T217 PolarHBondContact O-N 2.94Å
216G31.7Very low45.3Very low70 Ų70107.1 Ų107.172%0.72264%0.636SS**  trans-61.273.5-163.600000116.1S214 S218S214-G216 PolarHBondContact O-N 3.27Å; G216-S218 VanDerWaalsContact C-N 3.29Å; G216-S218 PolarHBondContact O-N 3.42Å
217T37.1Very low48.3Very low106 Ų106100.3 Ų100.365%0.6561%0.606SS**  trans-75.386.8160.5174.90000108.5S215 G219S215-T217 VanDerWaalsContact C-N 3.31Å; S215-T217 PolarHBondContact O-N 2.94Å; T217-G219 PolarHBondContact O-N 3.29Å
218S46.1Very low51.2Low40 Ų4093 Ų9328%0.2858%0.576SS.*  trans-44.2118.9171.764.40000110.3R174 G216 R269R174-S218 VanDerWaalsContact CZ-OG 3.24Å; R174-S218 PolarHBondContact NE-OG 3.44Å; R174-S218 PolarHBondContact NH2-OG 3.49Å; G216-S218 VanDerWaalsContact C-N 3.29Å; G216-S218 PolarHBondContact O-N 3.42Å; S218-R269 PolarHBondContact O-NH1 2.96Å
219G50.7Low54.4Low52 Ų5287.5 Ų87.554%0.53655%0.548SS..PPolyproline II helixtrans-56.8156-178.700000112.7T217 L221T217-G219 PolarHBondContact O-N 3.29Å; G219-L221 PolarHBondContact O-N 3.22Å
220P55.7Low57.6Low94 Ų9478.9 Ų78.961%0.6151%0.508SS*.PPolyproline II helixtrans-60129.5-177.7-17.729.1000111.4S224P220-S224 WeakPolarHBondContact CB-OG 3.45Å
221L63.5Low60.9Low22 Ų2269.6 Ų69.612%0.11547%0.465CS..PPolyproline II helixtrans-59.3146.3175.1-69.4-178.1000111.2E170 G219 G223 S224 E273 A277E170-L221 HydrophobicContact CG-CD1 4.35Å; E170-L221 WeakPolarHBondContact OE1-CD2 3.47Å; G219-L221 PolarHBondContact O-N 3.22Å; L221-G223 PolarHBondContact O-N 3.13Å; L221-S224 WeakPolarHBondContact O-CB 3.44Å; L221-S224 PolarHBondContact O-N 3.24Å; L221-S224 VanDerWaalsContact O-N 3.08Å; L221-S224 PolarHBondContact O-OG 3.16Å; L221-E273 HydrophobicContact CB-CG 4.32Å; L221-E273 HydrophobicContact CD1-CG 4.2Å; L221-E273 WeakPolarHBondContact CD1-OE1 3.38Å; L221-E273 HydrophobicContact CG-CG 4.48Å; L221-A277 HydrophobicContact CB-CB 4.4Å
222P68Low64.1Low124 Ų12461.2 Ų61.281%0.80543%0.425SS*.THydrogen-bonded Turntrans-61.2119.7178.723.4-31.4000110.3
223G75.1Confident67.1Low52 Ų5254.6 Ų54.654%0.53640%0.397SS..THydrogen-bonded Turntrans102.7-0.3-176.700000115L221 G276 A277L221-G223 PolarHBondContact O-N 3.13Å; G223-G276 CarbonylContact O-C 3.11Å; G223-G276 WeakPolarHBondContact O-CA 3.4Å; G223-A277 PolarHBondContact O-N 3.04Å
224S83.6Confident69.9Low35 Ų3556.1 Ų56.125%0.24539%0.394CS..PPolyproline II helixtrans-63.2138.1171.5530000112.5P220 L221P220-S224 WeakPolarHBondContact CB-OG 3.45Å; L221-S224 WeakPolarHBondContact O-CB 3.44Å; L221-S224 PolarHBondContact O-N 3.24Å; L221-S224 VanDerWaalsContact O-N 3.08Å; L221-S224 PolarHBondContact O-OG 3.16Å
225V86.3Confident73Confident22 Ų2256.2 Ų56.213%0.13339%0.386CS..PPolyproline II helixtrans-76.9124.4172.7-1790000108.3H229 L231 G272V225-H229 HydrophobicContact CG1-CB 3.68Å; V225-L231 HydrophobicContact CB-CD2 4.29Å; V225-L231 HydrophobicContact CG1-CD2 4.19Å; V225-G272 PolarHBondContact N-O 3.36Å; V225-G272 VanDerWaalsContact N-O 3.08Å
226P89.2Confident76.1Confident65 Ų6559.8 Ų59.842%0.42238%0.382SS..PPolyproline II helixtrans-68.6152.5-179.629-35.5000110.8T228 H229P226-T228 PolarHBondContact O-N 3.19Å; P226-H229 HydrophobicContact CG-CB 3.96Å; P226-H229 PolarHBondContact O-N 2.84Å
227V89.9Confident79Confident37 Ų3756.9 Ų56.922%0.22435%0.351CS..THydrogen-bonded Turntrans-58.4-14.7179.8-63.30000114.9L240 N243 V268 R269V227-L240 HydrophobicContact CB-CD1 4.12Å; V227-N243 PolarHBondContact O-ND2 2.97Å; V227-V268 HydrophobicContact CB-CG1 4.45Å; V227-V268 HydrophobicContact CG1-CG1 4.26Å; V227-R269 HydrophobicContact CG1-CB 4.17Å
228T90.7Very high81.5Confident52 Ų5263.2 Ų63.232%0.31936%0.363SS..THydrogen-bonded Turntrans-87.2-18.317653.10000113.2P226 S237P226-T228 PolarHBondContact O-N 3.19Å; T228-S237 WeakPolarHBondContact CB-O 3.43Å; T228-S237 WeakPolarHBondContact O-CA 3.4Å; T228-S237 PolarHBondContact O-N 3.04Å
229H92.3Very high83.7Confident64 Ų6463.3 Ų63.330%0.29636%0.364SS..BIsolated β-bridgetrans-96.1142.8177-82.3-119.4000111.3V225 P226 R236 N243V225-H229 HydrophobicContact CG1-CB 3.68Å; P226-H229 HydrophobicContact CG-CB 3.96Å; P226-H229 PolarHBondContact O-N 2.84Å; H229-R236 WeakPolarHBondContact NE2-CD 3.28Å; H229-N243 PolarHBondContact O-ND2 2.92Å
230C92.6Very high85.6Confident1 Ų162.6 Ų62.61%0.00735%0.347CS..  trans-64.3139.8174.5-174.90000110.3F232 C233 H235 N243 H246C230-F232 VanDerWaalsContact C-N 3.3Å; C230-F232 PolarHBondContact O-N 3.3Å; C230-C233 VanDerWaalsContact CB-SG 3.52Å; C230-C233 VanDerWaalsContact O-O 3.12Å; C230-C233 PolarHBondContact SG-SG 3.3Å; C230-H235 HydrophobicContact CB-CB 4.21Å; C230-H235 WeakPolarHBondContact CB-O 3.43Å; C230-H235 PolarHBondContact N-O 3.06Å; C230-N243 WeakPolarHBondContact CA-OD1 2.97Å; C230-H246 VanDerWaalsContact SG-CD2 3.59Å
231L91.4Very high87.3Confident1 Ų164.2 Ų64.21%0.00535%0.35CS..SBendtrans-70.7-27.3179.4-59.6-177.3000112.9V225 M247 L271 Q298V225-L231 HydrophobicContact CB-CD2 4.29Å; V225-L231 HydrophobicContact CG1-CD2 4.19Å; L231-M247 HydrophobicContact CB-CE 3.91Å; L231-M247 HydrophobicContact CD1-CE 3.47Å; L231-M247 VanDerWaalsContact CD1-CE 3.47Å; L231-M247 HydrophobicContact CG-CE 3.59Å; L231-M247 HydrophobicContact CG-SD 4.25Å; L231-L271 HydrophobicContact CD1-CB 3.68Å; L231-L271 HydrophobicContact CD1-CD1 4.4Å; L231-Q298 WeakPolarHBondContact O-CG 3.31Å; L231-Q298 PolarHBondContact O-NE2 3.44Å
232F92.4Very high88.7Confident3 Ų369.7 Ų69.71%0.01337%0.373CS..SBendtrans-108.2-10.5-169.5-47.5-63.2000114.1C230 M247 H251 F253 L282 M301 C307C230-F232 VanDerWaalsContact C-N 3.3Å; C230-F232 PolarHBondContact O-N 3.3Å; F232-M247 HydrophobicContact CD2-CE 4.17Å; F232-M247 HydrophobicContact CD2-CG 4.42Å; F232-M247 HydrophobicContact CE2-CB 4.43Å; F232-M247 HydrophobicContact CE2-CE 3.45Å; F232-M247 VanDerWaalsContact CE2-CE 3.45Å; F232-M247 HydrophobicContact CE2-CG 4.43Å; F232-M247 HydrophobicContact CZ-CE 4.05Å; F232-H251 HydrophobicContact CB-CB 4.45Å; F232-H251 HydrophobicContact CD2-CB 3.7Å; F232-H251 AromaticContact CD2-CD2 3.98Å; F232-H251 AromaticContact CD2-CG 3.84Å; F232-H251 HydrophobicContact CE2-CB 4.38Å; F232-H251 HydrophobicContact CG-CB 4.33Å; F232-F253 HydrophobicContact CE2-CB 3.72Å; F232-F253 AromaticContact CE2-CD2 3.73Å; F232-F253 HydrophobicContact CE2-CD2 3.73Å; F232-F253 AromaticContact CE2-CG 3.73Å; F232-F253 HydrophobicContact CE2-CG 3.73Å; F232-F253 HydrophobicContact CZ-CB 4.35Å; F232-F253 AromaticContact CZ-CD2 3.5Å; F232-F253 HydrophobicContact CZ-CD2 3.5Å; F232-F253 VanDerWaalsContact CZ-CD2 3.5Å; F232-F253 AromaticContact CZ-CE2 3.96Å; F232-F253 HydrophobicContact CZ-CE2 3.96Å; F232-F253 HydrophobicContact CZ-CG 4Å; F232-L282 HydrophobicContact CE1-CD1 4.12Å; F232-L282 HydrophobicContact CZ-CD1 4.25Å; F232-M301 HydrophobicContact CD1-CB 4.38Å; F232-M301 HydrophobicContact CD1-CE 3.89Å; F232-M301 HydrophobicContact CD1-SD 4.02Å; F232-M301 HydrophobicContact CE1-CE 3.43Å; F232-M301 VanDerWaalsContact CE1-CE 3.43Å; F232-M301 HydrophobicContact CE1-SD 4.11Å; F232-C307 HydrophobicContact CD1-CB 4.16Å; F232-C307 HydrophobicContact CD2-CB 4.32Å; F232-C307 HydrophobicContact CE1-CB 4.11Å; F232-C307 HydrophobicContact CE2-CB 4.25Å; F232-C307 HydrophobicContact CG-CB 4.27Å; F232-C307 HydrophobicContact CZ-CB 4.15Å
233C90.3Very high89.9Confident30 Ų3063.8 Ų63.820%0.20334%0.335CS..SBendtrans-149.8174-178.272.40000111.8C230 H235 H246 H251C230-C233 VanDerWaalsContact CB-SG 3.52Å; C230-C233 VanDerWaalsContact O-O 3.12Å; C230-C233 PolarHBondContact SG-SG 3.3Å; C233-H235 PolarHBondContact O-N 3.25Å; C233-H235 VanDerWaalsContact O-N 3.15Å; C233-H235 WeakPolarHBondContact SG-CB 3.13Å; C233-H235 PolarHBondContact SG-N 3.3Å; C233-H246 PolarHBondContact SG-NE2 2.87Å; C233-H251 PolarHBondContact SG-NE2 3.02Å
234S88.4Confident90.7Very high117 Ų11762.3 Ų62.382%0.81832%0.315SS*.SBendtrans-7710.9178.854.20000114.6
235H90.9Very high91.2Very high84 Ų8462.8 Ų62.839%0.38932%0.321SS..  trans-76129.7-178-174.7-95.8000112C230 C233 S237 H246C230-H235 HydrophobicContact CB-CB 4.21Å; C230-H235 WeakPolarHBondContact CB-O 3.43Å; C230-H235 PolarHBondContact N-O 3.06Å; C233-H235 PolarHBondContact O-N 3.25Å; C233-H235 VanDerWaalsContact O-N 3.15Å; C233-H235 WeakPolarHBondContact SG-CB 3.13Å; C233-H235 PolarHBondContact SG-N 3.3Å; H235-S237 PolarHBondContact CE1-OG 2.96Å; H235-S237 PolarHBondContact ND1-OG 2.86Å; H235-H246 AromaticContact CE1-ND1 3.95Å; H235-H246 AromaticContact CG-CE1 3.62Å; H235-H246 AromaticContact CG-NE2 3.72Å; H235-H246 AromaticContact ND1-CD2 3.72Å; H235-H246 AromaticContact ND1-CE1 3.73Å; H235-H246 AromaticContact ND1-CG 3.68Å; H235-H246 AromaticContact ND1-ND1 3.7Å; H235-H246 AromaticContact ND1-NE2 3.75Å
236R93.1Very high91.5Very high184 Ų18463.2 Ų63.269%0.69432%0.321SS*.BIsolated β-bridgetrans-105.7123.7176.2-174.6172.370.8163.9-2.4110.8H229H229-R236 WeakPolarHBondContact NE2-CD 3.28Å
237S92.3Very high91.7Very high10 Ų1060.1 Ų60.17%0.0730%0.301CS..  trans-103.5151.8178-64.40000111T228 H235 N243T228-S237 WeakPolarHBondContact CB-O 3.43Å; T228-S237 WeakPolarHBondContact O-CA 3.4Å; T228-S237 PolarHBondContact O-N 3.04Å; H235-S237 PolarHBondContact CE1-OG 2.96Å; H235-S237 PolarHBondContact ND1-OG 2.86Å; S237-N243 WeakPolarHBondContact OG-CA 3.39Å
238R89.1Confident91.8Very high239 Ų23961.6 Ų61.690%0.90231%0.311SS*.SBendtrans-81.5-14.1-178.6-65-175.8179-178.4-0.9114.6
239S93.1Very high91.9Very high42 Ų4267.7 Ų67.729%0.29433%0.333SS..SBendtrans-152.5150.1-176.759.20000109.6L241 K242 N243S239-L241 PolarHBondContact O-N 3.42Å; S239-K242 PolarHBondContact O-N 3.03Å; S239-K242 VanDerWaalsContact OG-CB 3.32Å; S239-K242 WeakPolarHBondContact OG-CB 3.47Å; S239-K242 WeakPolarHBondContact OG-CD 3.47Å; S239-K242 WeakPolarHBondContact OG-CG 3.41Å; S239-K242 PolarHBondContact OG-N 3.4Å; S239-N243 PolarHBondContact O-N 3.34Å
240L89.9Confident91.9Very high36 Ų3669 Ų6919%0.18835%0.345CS..Hα-helixtrans-53-50.4178.7175.364.5000112.4V227 K242 N243 V244 R265 V268V227-L240 HydrophobicContact CB-CD1 4.12Å; L240-K242 VanDerWaalsContact C-N 3.31Å; L240-K242 PolarHBondContact O-N 3.37Å; L240-N243 WeakPolarHBondContact O-CA 3.48Å; L240-N243 VanDerWaalsContact O-CB 3.25Å; L240-N243 WeakPolarHBondContact O-CB 3.4Å; L240-N243 PolarHBondContact O-N 3.18Å; L240-V244 HydrophobicContact CD1-CG2 4.23Å; L240-V244 WeakPolarHBondContact O-CG2 3.14Å; L240-V244 PolarHBondContact O-N 3.13Å; L240-R265 HydrophobicContact CD2-CB 3.98Å; L240-R265 HydrophobicContact CD2-CG 4.32Å; L240-V268 HydrophobicContact CD1-CB 4.02Å; L240-V268 HydrophobicContact CD1-CG1 3.87Å; L240-V268 HydrophobicContact CD1-CG2 4.1Å
241L91.5Very high91.8Very high128 Ų12869.9 Ų69.967%0.6735%0.349SS*.Hα-helixtrans-59.9-38.5-178.5-64.6172.9000113.1S239 A245 L264S239-L241 PolarHBondContact O-N 3.42Å; L241-A245 WeakPolarHBondContact O-CB 3.36Å; L241-A245 PolarHBondContact O-N 2.92Å; L241-L264 HydrophobicContact CD2-CD2 4.25Å
242K93.3Very high91.7Very high137 Ų13773.7 Ų73.760%0.59638%0.376SS*.Hα-helixtrans-70-33.6174.6-69.9178-174.5173.70112.2S239 L240 H246S239-K242 PolarHBondContact O-N 3.03Å; S239-K242 VanDerWaalsContact OG-CB 3.32Å; S239-K242 WeakPolarHBondContact OG-CB 3.47Å; S239-K242 WeakPolarHBondContact OG-CD 3.47Å; S239-K242 WeakPolarHBondContact OG-CG 3.41Å; S239-K242 PolarHBondContact OG-N 3.4Å; L240-K242 VanDerWaalsContact C-N 3.31Å; L240-K242 PolarHBondContact O-N 3.37Å; K242-H246 WeakPolarHBondContact O-CB 3.02Å; K242-H246 PolarHBondContact O-N 3.49Å
243N93.3Very high91.7Very high0 Ų073.6 Ų73.60%038%0.375CS..Hα-helixtrans-64.1-50.2174.2-167.76.7000110.7V227 H229 C230 S237 S239 L240 A245 H246 M247V227-N243 PolarHBondContact O-ND2 2.97Å; H229-N243 PolarHBondContact O-ND2 2.92Å; C230-N243 WeakPolarHBondContact CA-OD1 2.97Å; S237-N243 WeakPolarHBondContact OG-CA 3.39Å; S239-N243 PolarHBondContact O-N 3.34Å; L240-N243 WeakPolarHBondContact O-CA 3.48Å; L240-N243 VanDerWaalsContact O-CB 3.25Å; L240-N243 WeakPolarHBondContact O-CB 3.4Å; L240-N243 PolarHBondContact O-N 3.18Å; N243-A245 VanDerWaalsContact C-N 3.32Å; N243-A245 PolarHBondContact O-N 3.15Å; N243-H246 WeakPolarHBondContact O-CA 3.38Å; N243-H246 WeakPolarHBondContact O-CB 3.48Å; N243-H246 PolarHBondContact O-N 2.91Å; N243-M247 WeakPolarHBondContact O-CG 3.11Å; N243-M247 PolarHBondContact O-N 2.98Å
244V91.6Very high91.7Very high22 Ų2278.8 Ų78.813%0.13340%0.395CS..Hα-helixtrans-59-45.5175.8178.20000110.5L240 H246 M247 T248 I255 V268L240-V244 HydrophobicContact CD1-CG2 4.23Å; L240-V244 WeakPolarHBondContact O-CG2 3.14Å; L240-V244 PolarHBondContact O-N 3.13Å; V244-H246 VanDerWaalsContact C-N 3.28Å; V244-H246 PolarHBondContact O-N 3.49Å; V244-M247 WeakPolarHBondContact O-CB 3.47Å; V244-M247 PolarHBondContact O-N 3.49Å; V244-M247 VanDerWaalsContact O-N 3.11Å; V244-T248 PolarHBondContact O-N 2.92Å; V244-T248 PolarHBondContact O-OG1 2.91Å; V244-T248 VanDerWaalsContact O-OG1 3.08Å; V244-I255 HydrophobicContact CG1-CD1 4.2Å; V244-V268 HydrophobicContact CG2-CG2 4.34Å
245A92.7Very high91.8Very high44 Ų4473.9 Ų73.936%0.36436%0.359SS..Hα-helixtrans-60.6-35.4175.800000113.3L241 N243 K249L241-A245 WeakPolarHBondContact O-CB 3.36Å; L241-A245 PolarHBondContact O-N 2.92Å; N243-A245 VanDerWaalsContact C-N 3.32Å; N243-A245 PolarHBondContact O-N 3.15Å; A245-K249 WeakPolarHBondContact O-CB 3.43Å; A245-K249 VanDerWaalsContact O-CG 3.24Å; A245-K249 WeakPolarHBondContact O-CG 3.38Å; A245-K249 PolarHBondContact O-N 3.02Å; A245-K249 VanDerWaalsContact O-N 3.11Å
246H94.2Very high91.7Very high31 Ų3170.9 Ų70.914%0.14435%0.347CS..Hα-helixtrans-67.2-46.3172.6165.781.7000111.3C230 C233 H235 K242 N243 V244 T248 K249 V250 H251C230-H246 VanDerWaalsContact SG-CD2 3.59Å; C233-H246 PolarHBondContact SG-NE2 2.87Å; H235-H246 AromaticContact CE1-ND1 3.95Å; H235-H246 AromaticContact CG-CE1 3.62Å; H235-H246 AromaticContact CG-NE2 3.72Å; H235-H246 AromaticContact ND1-CD2 3.72Å; H235-H246 AromaticContact ND1-CE1 3.73Å; H235-H246 AromaticContact ND1-CG 3.68Å; H235-H246 AromaticContact ND1-ND1 3.7Å; H235-H246 AromaticContact ND1-NE2 3.75Å; K242-H246 WeakPolarHBondContact O-CB 3.02Å; K242-H246 PolarHBondContact O-N 3.49Å; N243-H246 WeakPolarHBondContact O-CA 3.38Å; N243-H246 WeakPolarHBondContact O-CB 3.48Å; N243-H246 PolarHBondContact O-N 2.91Å; V244-H246 VanDerWaalsContact C-N 3.28Å; V244-H246 PolarHBondContact O-N 3.49Å; H246-T248 VanDerWaalsContact C-N 3.33Å; H246-T248 PolarHBondContact O-N 3.07Å; H246-K249 PolarHBondContact O-N 3.1Å; H246-V250 WeakPolarHBondContact O-CB 3.35Å; H246-V250 PolarHBondContact O-N 3.09Å; H246-H251 AromaticContact NE2-NE2 3.83Å
247M92.3Very high91.3Very high0 Ų066.5 Ų66.50%034%0.337CS..Hα-helixtrans-59.9-41.9178-67.9167.664.500111.7L231 F232 N243 V244 H251 S252 F253L231-M247 HydrophobicContact CB-CE 3.91Å; L231-M247 HydrophobicContact CD1-CE 3.47Å; L231-M247 VanDerWaalsContact CD1-CE 3.47Å; L231-M247 HydrophobicContact CG-CE 3.59Å; L231-M247 HydrophobicContact CG-SD 4.25Å; F232-M247 HydrophobicContact CD2-CE 4.17Å; F232-M247 HydrophobicContact CD2-CG 4.42Å; F232-M247 HydrophobicContact CE2-CB 4.43Å; F232-M247 HydrophobicContact CE2-CE 3.45Å; F232-M247 VanDerWaalsContact CE2-CE 3.45Å; F232-M247 HydrophobicContact CE2-CG 4.43Å; F232-M247 HydrophobicContact CZ-CE 4.05Å; N243-M247 WeakPolarHBondContact O-CG 3.11Å; N243-M247 PolarHBondContact O-N 2.98Å; V244-M247 WeakPolarHBondContact O-CB 3.47Å; V244-M247 PolarHBondContact O-N 3.49Å; V244-M247 VanDerWaalsContact O-N 3.11Å; M247-H251 CarbonylContact O-C 3.34Å; M247-H251 WeakPolarHBondContact O-CA 3.34Å; M247-H251 WeakPolarHBondContact O-CB 3.34Å; M247-H251 PolarHBondContact O-N 3.15Å; M247-S252 PolarHBondContact O-N 3.04Å; M247-F253 HydrophobicContact CB-CB 3.97Å; M247-F253 HydrophobicContact CB-CD1 4.21Å; M247-F253 HydrophobicContact CB-CG 4.44Å; M247-F253 HydrophobicContact CE-CD1 3.62Å; M247-F253 HydrophobicContact CE-CE1 3.82Å; M247-F253 HydrophobicContact CE-CG 4.05Å; M247-F253 HydrophobicContact CE-CZ 4.44Å; M247-F253 PolarHBondContact O-N 2.9Å; M247-F253 VanDerWaalsContact O-N 3.13Å
248T92.7Very high91Very high69 Ų6970.4 Ų70.442%0.42336%0.361SS..Hα-helixtrans-68.3-37176.3-53.40000112.4V244 H246 S252 F253V244-T248 PolarHBondContact O-N 2.92Å; V244-T248 PolarHBondContact O-OG1 2.91Å; V244-T248 VanDerWaalsContact O-OG1 3.08Å; H246-T248 VanDerWaalsContact C-N 3.33Å; H246-T248 PolarHBondContact O-N 3.07Å; T248-S252 VanDerWaalsContact O-CA 3.3Å; T248-S252 WeakPolarHBondContact O-CA 3.37Å; T248-S252 PolarHBondContact O-N 3.27Å; T248-F253 WeakPolarHBondContact CA-O 3.3Å; T248-F253 WeakPolarHBondContact CB-O 3.45Å; T248-F253 PolarHBondContact OG1-O 3.43Å
249K92.3Very high90.8Very high179 Ų17967.5 Ų67.578%0.77836%0.357SS*.Hα-helixtrans-79.6-43.8-178.5-73.8177.7-177.8-176.70114.2A245 H246A245-K249 WeakPolarHBondContact O-CB 3.43Å; A245-K249 VanDerWaalsContact O-CG 3.24Å; A245-K249 WeakPolarHBondContact O-CG 3.38Å; A245-K249 PolarHBondContact O-N 3.02Å; A245-K249 VanDerWaalsContact O-N 3.11Å; H246-K249 PolarHBondContact O-N 3.1Å
250V92.4Very high90.5Very high91 Ų9167.9 Ų67.955%0.55235%0.354SS*.Hα-helixtrans-91.1-39.8-172.6178.50000111.3H246H246-V250 WeakPolarHBondContact O-CB 3.35Å; H246-V250 PolarHBondContact O-N 3.09Å
251H91.1Very high90.4Very high21 Ų2167.4 Ų67.410%0.09735%0.351CS..SBendtrans-108.32.4-174.5-58.9-67.8000113.3F232 C233 H246 M247 F253 C307F232-H251 HydrophobicContact CB-CB 4.45Å; F232-H251 HydrophobicContact CD2-CB 3.7Å; F232-H251 AromaticContact CD2-CD2 3.98Å; F232-H251 AromaticContact CD2-CG 3.84Å; F232-H251 HydrophobicContact CE2-CB 4.38Å; F232-H251 HydrophobicContact CG-CB 4.33Å; C233-H251 PolarHBondContact SG-NE2 3.02Å; H246-H251 AromaticContact NE2-NE2 3.83Å; M247-H251 CarbonylContact O-C 3.34Å; M247-H251 WeakPolarHBondContact O-CA 3.34Å; M247-H251 WeakPolarHBondContact O-CB 3.34Å; M247-H251 PolarHBondContact O-N 3.15Å; H251-F253 PolarHBondContact O-N 3.26Å; H251-F253 VanDerWaalsContact O-N 3.16Å; H251-C307 HydrophobicContact CB-CB 4.21Å; H251-C307 WeakPolarHBondContact O-CB 3.49Å
252S88.9Confident90.2Very high80 Ų8066.5 Ų66.556%0.55935%0.351SS*.  trans5332.5-176.957.20000113.1M247 T248 F254M247-S252 PolarHBondContact O-N 3.04Å; T248-S252 VanDerWaalsContact O-CA 3.3Å; T248-S252 WeakPolarHBondContact O-CA 3.37Å; T248-S252 PolarHBondContact O-N 3.27Å; S252-F254 PolarHBondContact O-N 3.48Å
253F92.4Very high90Very high1 Ų163.5 Ų63.50%0.00434%0.342CS..  trans-71.7122.4177.1-179.1-110.4000110.2F232 M247 T248 H251 I255 L271 L282 C307 L309F232-F253 HydrophobicContact CE2-CB 3.72Å; F232-F253 AromaticContact CE2-CD2 3.73Å; F232-F253 HydrophobicContact CE2-CD2 3.73Å; F232-F253 AromaticContact CE2-CG 3.73Å; F232-F253 HydrophobicContact CE2-CG 3.73Å; F232-F253 HydrophobicContact CZ-CB 4.35Å; F232-F253 AromaticContact CZ-CD2 3.5Å; F232-F253 HydrophobicContact CZ-CD2 3.5Å; F232-F253 VanDerWaalsContact CZ-CD2 3.5Å; F232-F253 AromaticContact CZ-CE2 3.96Å; F232-F253 HydrophobicContact CZ-CE2 3.96Å; F232-F253 HydrophobicContact CZ-CG 4Å; M247-F253 HydrophobicContact CB-CB 3.97Å; M247-F253 HydrophobicContact CB-CD1 4.21Å; M247-F253 HydrophobicContact CB-CG 4.44Å; M247-F253 HydrophobicContact CE-CD1 3.62Å; M247-F253 HydrophobicContact CE-CE1 3.82Å; M247-F253 HydrophobicContact CE-CG 4.05Å; M247-F253 HydrophobicContact CE-CZ 4.44Å; M247-F253 PolarHBondContact O-N 2.9Å; M247-F253 VanDerWaalsContact O-N 3.13Å; T248-F253 WeakPolarHBondContact CA-O 3.3Å; T248-F253 WeakPolarHBondContact CB-O 3.45Å; T248-F253 PolarHBondContact OG1-O 3.43Å; H251-F253 PolarHBondContact O-N 3.26Å; H251-F253 VanDerWaalsContact O-N 3.16Å; F253-I255 HydrophobicContact CD1-CG1 4.19Å; F253-I255 HydrophobicContact CE1-CD1 4Å; F253-I255 HydrophobicContact CE1-CG1 3.5Å; F253-I255 VanDerWaalsContact CE1-CG1 3.5Å; F253-I255 HydrophobicContact CZ-CG1 4.06Å; F253-L271 HydrophobicContact CZ-CD1 3.91Å; F253-L282 HydrophobicContact CE2-CD1 4.42Å; F253-C307 WeakPolarHBondContact CD2-O 3.48Å; F253-L309 HydrophobicContact CE2-CB 4.49Å
254F90.7Very high89.8Confident140 Ų14065.7 Ų65.761%0.61435%0.353SS*.  trans-117.3132.4179.6-176-101.7000109.5S252S252-F254 PolarHBondContact O-N 3.48Å
255I90.1Very high89.7Confident13 Ų1372.9 Ų72.97%0.06738%0.378CS..  trans-98.8118.1174.5-60173.1000106.5V244 F253 V258 L261 L264 L267 Y323V244-I255 HydrophobicContact CG1-CD1 4.2Å; F253-I255 HydrophobicContact CD1-CG1 4.19Å; F253-I255 HydrophobicContact CE1-CD1 4Å; F253-I255 HydrophobicContact CE1-CG1 3.5Å; F253-I255 VanDerWaalsContact CE1-CG1 3.5Å; F253-I255 HydrophobicContact CZ-CG1 4.06Å; I255-V258 HydrophobicContact CB-CG2 4.13Å; I255-V258 HydrophobicContact CG2-CG2 4.26Å; I255-V258 VanDerWaalsContact O-CG2 3.26Å; I255-V258 WeakPolarHBondContact O-CG2 3.43Å; I255-L261 HydrophobicContact CG2-CD1 3.5Å; I255-L264 HydrophobicContact CD1-CD1 3.73Å; I255-L267 HydrophobicContact CG2-CD2 4.08Å; I255-Y323 WeakPolarHBondContact CG2-OH 3.17Å
256P88.3Confident89.6Confident21 Ų2171 Ų7114%0.13636%0.362CS..THydrogen-bonded Turntrans-60.9147.1174.9-25.438.2000111.7V258 T311 Y323P256-V258 PolarHBondContact O-N 3.02Å; P256-T311 HydrophobicContact CB-CG2 4.42Å; P256-T311 HydrophobicContact CG-CG2 3.79Å; P256-Y323 VanDerWaalsContact O-CE1 3.31Å; P256-Y323 WeakPolarHBondContact O-CE1 3.42Å; P256-Y323 PolarHBondContact O-OH 2.85Å
257D84.4Confident89.5Confident92 Ų9269.5 Ų69.549%0.49236%0.355SS..THydrogen-bonded Turntrans49.547.4166.3-57.2-27.8000115.3E259 F260 Y323 F325D257-E259 PolarHBondContact O-N 3.2Å; D257-F260 HydrophobicContact CB-CD2 4.17Å; D257-F260 PolarHBondContact O-N 3.07Å; D257-Y323 HydrophobicContact CB-CE1 4.17Å; D257-Y323 WeakPolarHBondContact O-CE1 3.04Å; D257-F325 HydrophobicContact CB-CE1 4.32Å
258V86.1Confident89.4Confident93 Ų9369.5 Ų69.556%0.56436%0.356SS*.G310 helixtrans-55.5-24.5-178.8-173.40000113I255 P256 F260 L261I255-V258 HydrophobicContact CB-CG2 4.13Å; I255-V258 HydrophobicContact CG2-CG2 4.26Å; I255-V258 VanDerWaalsContact O-CG2 3.26Å; I255-V258 WeakPolarHBondContact O-CG2 3.43Å; P256-V258 PolarHBondContact O-N 3.02Å; V258-F260 VanDerWaalsContact C-N 3.28Å; V258-F260 PolarHBondContact O-N 3.42Å; V258-L261 PolarHBondContact O-N 3Å
259E86.3Confident89.4Confident178 Ų17870.1 Ų70.183%0.83235%0.35SS*.G310 helixtrans-64.6-30177.9-63.7176.7-178.500113D257D257-E259 PolarHBondContact O-N 3.2Å
260F86.2Confident89.4Confident49 Ų4963.1 Ų63.122%0.21532%0.319CS..G310 helixtrans-10410.1-177-55.6-59.9000112.8D257 V258 Y323 D324 F325 S327 S328D257-F260 HydrophobicContact CB-CD2 4.17Å; D257-F260 PolarHBondContact O-N 3.07Å; V258-F260 VanDerWaalsContact C-N 3.28Å; V258-F260 PolarHBondContact O-N 3.42Å; F260-Y323 HydrophobicContact CB-CD1 4.42Å; F260-Y323 CarbonylContact O-C 3.43Å; F260-Y323 WeakPolarHBondContact O-CA 3.49Å; F260-D324 PolarHBondContact O-N 3.03Å; F260-F325 HydrophobicContact CB-CD1 4.03Å; F260-F325 HydrophobicContact CB-CE1 4.11Å; F260-F325 AromaticContact CD2-CD1 3.95Å; F260-F325 HydrophobicContact CD2-CD1 3.95Å; F260-F325 HydrophobicContact CD2-CE1 4.02Å; F260-F325 HydrophobicContact CG-CD1 4.04Å; F260-F325 HydrophobicContact CG-CE1 4.34Å; F260-S327 VanDerWaalsContact CD1-OG 3.28Å; F260-S327 WeakPolarHBondContact CD1-OG 3.38Å; F260-S327 WeakPolarHBondContact CE1-OG 3.21Å; F260-S328 VanDerWaalsContact CD1-OG 3.31Å; F260-S328 WeakPolarHBondContact CD1-OG 3.39Å; F260-S328 WeakPolarHBondContact CE1-OG 3.3Å; F260-S328 WeakPolarHBondContact CZ-OG 3.4Å
261L87.2Confident89.3Confident26 Ų2658.9 Ų58.914%0.13629%0.293CS..BIsolated β-bridgetrans-91.4110-174-158.7164.3000110.2I255 V258 L264 L267 Y323I255-L261 HydrophobicContact CG2-CD1 3.5Å; V258-L261 PolarHBondContact O-N 3Å; L261-L264 HydrophobicContact CD1-CD1 4.38Å; L261-L264 HydrophobicContact CD2-CB 3.89Å; L261-L264 HydrophobicContact CD2-CD1 4.4Å; L261-L267 HydrophobicContact CD1-CD2 3.74Å; L261-Y323 HydrophobicContact CB-CD1 4.17Å; L261-Y323 HydrophobicContact CB-CE1 3.94Å; L261-Y323 HydrophobicContact CD1-CE1 3.97Å; L261-Y323 HydrophobicContact CD1-CE2 4.4Å; L261-Y323 HydrophobicContact CG-CD1 4.35Å; L261-Y323 HydrophobicContact CG-CE1 3.97Å; L261-Y323 HydrophobicContact CG-CE2 4.44Å
262V87.6Confident89.3Confident110 Ų11057.9 Ų57.967%0.66729%0.289SS*.SBendtrans-81.3-44.6-176.5-178.90000111.4F322 D324V262-F322 PolarHBondContact N-O 3.41Å; V262-F322 VanDerWaalsContact N-O 3.15Å; V262-D324 HydrophobicContact CG2-CB 3.44Å; V262-D324 VanDerWaalsContact CG2-CB 3.44Å
263D88.8Confident89.4Confident74 Ų7454.2 Ų54.240%0.39626%0.263SS..  trans-121.890.2-179.1-172.38.8000114.1R265 G266 L267D263-R265 VanDerWaalsContact C-N 3.28Å; D263-R265 PolarHBondContact O-N 3.48Å; D263-R265 WeakPolarHBondContact OD1-CA 3.41Å; D263-R265 WeakPolarHBondContact OD1-CB 3.46Å; D263-R265 PolarHBondContact OD1-N 3.08Å; D263-G266 PolarHBondContact OD1-N 3.31Å; D263-G266 WeakPolarHBondContact OD2-CA 3.28Å; D263-G266 PolarHBondContact OD2-N 2.92Å; D263-G266 VanDerWaalsContact OD2-N 3.11Å; D263-L267 PolarHBondContact O-N 3.09Å; D263-L267 VanDerWaalsContact O-N 3.14Å
264L89.1Confident89.3Confident46 Ų4654.5 Ų54.524%0.24126%0.264CS..Hα-helixtrans-65.1-32.2174.5-177.464.2000112.4L241 I255 L261 V268L241-L264 HydrophobicContact CD2-CD2 4.25Å; I255-L264 HydrophobicContact CD1-CD1 3.73Å; L261-L264 HydrophobicContact CD1-CD1 4.38Å; L261-L264 HydrophobicContact CD2-CB 3.89Å; L261-L264 HydrophobicContact CD2-CD1 4.4Å; L264-V268 HydrophobicContact CD1-CG2 4.35Å; L264-V268 WeakPolarHBondContact O-CG2 3.28Å; L264-V268 PolarHBondContact O-N 3.31Å; L264-V268 VanDerWaalsContact O-N 3.15Å
265R90.6Very high89.4Confident172 Ų17247.8 Ų47.865%0.64924%0.235SC*.Hα-helixtrans-74.9-41.3-176.6-177.5174.4174.7-105.32.2110.1L240 D263 R269L240-R265 HydrophobicContact CD2-CB 3.98Å; L240-R265 HydrophobicContact CD2-CG 4.32Å; D263-R265 VanDerWaalsContact C-N 3.28Å; D263-R265 PolarHBondContact O-N 3.48Å; D263-R265 WeakPolarHBondContact OD1-CA 3.41Å; D263-R265 WeakPolarHBondContact OD1-CB 3.46Å; D263-R265 PolarHBondContact OD1-N 3.08Å; R265-R269 VanDerWaalsContact O-CB 3.32Å; R265-R269 WeakPolarHBondContact O-CB 3.37Å; R265-R269 PolarHBondContact O-N 3.06Å
266G91Very high89.3Confident4 Ų447.3 Ų47.34%0.04123%0.233CC..Hα-helixtrans-58.1-50.717200000112D263 V268 R269 Y270D263-G266 PolarHBondContact OD1-N 3.31Å; D263-G266 WeakPolarHBondContact OD2-CA 3.28Å; D263-G266 PolarHBondContact OD2-N 2.92Å; D263-G266 VanDerWaalsContact OD2-N 3.11Å; G266-V268 PolarHBondContact O-N 3.45Å; G266-R269 WeakPolarHBondContact O-CB 3.4Å; G266-R269 PolarHBondContact O-N 2.89Å; G266-Y270 PolarHBondContact O-N 2.89Å
267L90.9Very high89.3Confident0 Ų047.1 Ų47.10%023%0.233CC..Hα-helixtrans-58.5-49.2179.4-17865.3000112I255 L261 D263 R269 Y270 L271 F319 F322 Y323I255-L267 HydrophobicContact CG2-CD2 4.08Å; L261-L267 HydrophobicContact CD1-CD2 3.74Å; D263-L267 PolarHBondContact O-N 3.09Å; D263-L267 VanDerWaalsContact O-N 3.14Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 3.43Å; L267-Y270 PolarHBondContact O-N 3.37Å; L267-L271 HydrophobicContact CD1-CD1 4.47Å; L267-L271 HydrophobicContact CD1-CG 4.46Å; L267-L271 HydrophobicContact CG-CD1 4.18Å; L267-L271 VanDerWaalsContact O-CG 3.28Å; L267-L271 WeakPolarHBondContact O-CG 3.3Å; L267-L271 PolarHBondContact O-N 3.18Å; L267-F319 HydrophobicContact CD1-CD1 3.93Å; L267-F322 HydrophobicContact CB-CB 4.42Å; L267-F322 HydrophobicContact CB-CD1 4.47Å; L267-F322 HydrophobicContact CB-CG 4.25Å; L267-F322 HydrophobicContact CD1-CD2 3.94Å; L267-F322 HydrophobicContact CD1-CE2 4.47Å; L267-F322 HydrophobicContact CD1-CG 4.32Å; L267-Y323 HydrophobicContact CD2-CE2 4.43Å
268V91.6Very high89.3Confident1 Ų142.8 Ų42.81%0.00621%0.21CC..Hα-helixtrans-66.9-33.7-179.2175.70000111.8V227 L240 V244 L264 G266 G272V227-V268 HydrophobicContact CB-CG1 4.45Å; V227-V268 HydrophobicContact CG1-CG1 4.26Å; L240-V268 HydrophobicContact CD1-CB 4.02Å; L240-V268 HydrophobicContact CD1-CG1 3.87Å; L240-V268 HydrophobicContact CD1-CG2 4.1Å; V244-V268 HydrophobicContact CG2-CG2 4.34Å; L264-V268 HydrophobicContact CD1-CG2 4.35Å; L264-V268 WeakPolarHBondContact O-CG2 3.28Å; L264-V268 PolarHBondContact O-N 3.31Å; L264-V268 VanDerWaalsContact O-N 3.15Å; G266-V268 PolarHBondContact O-N 3.45Å; V268-G272 PolarHBondContact O-N 2.89Å
269R92Very high89.5Confident82 Ų8239 Ų3931%0.30919%0.186SC..Hα-helixtrans-63.4-46.4173.7-177-178.166.5113.2-2.8111S218 V227 R265 G266 L267 G272 E273S218-R269 PolarHBondContact O-NH1 2.96Å; V227-R269 HydrophobicContact CG1-CB 4.17Å; R265-R269 VanDerWaalsContact O-CB 3.32Å; R265-R269 WeakPolarHBondContact O-CB 3.37Å; R265-R269 PolarHBondContact O-N 3.06Å; G266-R269 WeakPolarHBondContact O-CB 3.4Å; G266-R269 PolarHBondContact O-N 2.89Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 3.43Å; R269-G272 PolarHBondContact O-N 3.38Å; R269-E273 PolarHBondContact O-N 3.34Å
270Y91.2Very high89.5Confident32 Ų3230.8 Ų30.813%0.12515%0.148CC..Hα-helixtrans-61.9-44.8177.2176.9-114.9000112W167 G266 L267 G272 E273 K274 E318 F319 F322W167-Y270 HydrophobicContact CH2-CE2 4.03Å; W167-Y270 AromaticContact CZ2-CE2 3.93Å; W167-Y270 HydrophobicContact CZ2-CE2 3.93Å; G266-Y270 PolarHBondContact O-N 2.89Å; L267-Y270 PolarHBondContact O-N 3.37Å; Y270-G272 VanDerWaalsContact C-N 3.28Å; Y270-G272 PolarHBondContact O-N 2.77Å; Y270-E273 WeakPolarHBondContact O-CB 3.49Å; Y270-E273 PolarHBondContact O-N 2.72Å; Y270-E273 VanDerWaalsContact O-N 3.09Å; Y270-K274 HydrophobicContact CE1-CD 4.42Å; Y270-K274 PolarHBondContact O-N 3.04Å; Y270-E318 PolarHBondContact OH-OE2 3.34Å; Y270-F319 HydrophobicContact CD1-CD1 4.2Å; Y270-F319 AromaticContact CD1-CE1 3.98Å; Y270-F319 HydrophobicContact CD1-CE1 3.98Å; Y270-F319 HydrophobicContact CE1-CD1 4.01Å; Y270-F319 AromaticContact CE1-CE1 3.63Å; Y270-F319 HydrophobicContact CE1-CE1 3.63Å; Y270-F322 HydrophobicContact CD1-CE2 4.16Å; Y270-F322 HydrophobicContact CG-CE2 4.3Å; Y270-F322 HydrophobicContact CG-CZ 4.31Å
271L91.3Very high89.8Confident1 Ų128.6 Ų28.61%0.00514%0.139CC..Hα-helixtrans-62.8-35.7175.1-64175.6000112.2L231 F253 L267 E273 K274 V275 L282 L309 F319L231-L271 HydrophobicContact CD1-CB 3.68Å; L231-L271 HydrophobicContact CD1-CD1 4.4Å; F253-L271 HydrophobicContact CZ-CD1 3.91Å; L267-L271 HydrophobicContact CD1-CD1 4.47Å; L267-L271 HydrophobicContact CD1-CG 4.46Å; L267-L271 HydrophobicContact CG-CD1 4.18Å; L267-L271 VanDerWaalsContact O-CG 3.28Å; L267-L271 WeakPolarHBondContact O-CG 3.3Å; L267-L271 PolarHBondContact O-N 3.18Å; L271-E273 VanDerWaalsContact C-N 3.32Å; L271-K274 PolarHBondContact O-N 3.05Å; L271-V275 WeakPolarHBondContact O-CG2 3.45Å; L271-V275 PolarHBondContact O-N 2.8Å; L271-L282 HydrophobicContact CD2-CD1 4.14Å; L271-L282 HydrophobicContact CD2-CD2 3.63Å; L271-L309 HydrophobicContact CD2-CD1 3.64Å; L271-F319 HydrophobicContact CD2-CE1 4.04Å
272G91.6Very high89.8Confident0 Ų027.5 Ų27.50%013%0.133CC..Hα-helixtrans-64.5-34.4173.100000113.4V225 V268 R269 Y270 G276V225-G272 PolarHBondContact N-O 3.36Å; V225-G272 VanDerWaalsContact N-O 3.08Å; V268-G272 PolarHBondContact O-N 2.89Å; R269-G272 PolarHBondContact O-N 3.38Å; Y270-G272 VanDerWaalsContact C-N 3.28Å; Y270-G272 PolarHBondContact O-N 2.77Å; G272-G276 WeakPolarHBondContact O-CA 3.35Å; G272-G276 PolarHBondContact O-N 3.02Å
273E90.8Very high89.9Confident4 Ų426.9 Ų26.92%0.01912%0.119CC..Hα-helixtrans-70.4-46.4173-152.7-173124.700111.4W167 Q171 R174 L221 R269 Y270 L271 V275 G276 A277 G278W167-E273 PolarHBondContact NE1-OE1 3.13Å; Q171-E273 PolarHBondContact NE2-OE1 3.37Å; R174-E273 IonicContact NH1-OE1 2.78Å; R174-E273 IonicContact NH1-OE2 3.79Å; R174-E273 PolarHBondContact NH1-OE2 3.37Å; L221-E273 HydrophobicContact CB-CG 4.32Å; L221-E273 HydrophobicContact CD1-CG 4.2Å; L221-E273 WeakPolarHBondContact CD1-OE1 3.38Å; L221-E273 HydrophobicContact CG-CG 4.48Å; R269-E273 PolarHBondContact O-N 3.34Å; Y270-E273 WeakPolarHBondContact O-CB 3.49Å; Y270-E273 PolarHBondContact O-N 2.72Å; Y270-E273 VanDerWaalsContact O-N 3.09Å; L271-E273 VanDerWaalsContact C-N 3.32Å; E273-V275 PolarHBondContact O-N 2.89Å; E273-G276 PolarHBondContact O-N 3.39Å; E273-A277 HydrophobicContact CG-CB 4.32Å; E273-A277 WeakPolarHBondContact O-CA 3.44Å; E273-A277 WeakPolarHBondContact O-CB 3.49Å; E273-A277 PolarHBondContact O-N 3.05Å; E273-G278 PolarHBondContact O-N 3.18Å
274K90.4Very high89.7Confident6 Ų624.6 Ų24.63%0.02611%0.108CC..Hα-helixtrans-62.3-40.8-179.6-166.8164.1-173.8170.30112.7W167 Y270 L271 G278 N279 V280 L282 E318W167-K274 HydrophobicContact CH2-CB 3.97Å; W167-K274 HydrophobicContact CH2-CD 4.05Å; W167-K274 HydrophobicContact CH2-CG 3.77Å; W167-K274 HydrophobicContact CZ2-CB 4Å; W167-K274 HydrophobicContact CZ2-CG 4.29Å; W167-K274 HydrophobicContact CZ3-CG 4.13Å; Y270-K274 HydrophobicContact CE1-CD 4.42Å; Y270-K274 PolarHBondContact O-N 3.04Å; L271-K274 PolarHBondContact O-N 3.05Å; K274-G278 CarbonylContact O-C 3.59Å; K274-G278 WeakPolarHBondContact O-CA 3.37Å; K274-N279 PolarHBondContact O-N 3.23Å; K274-V280 HydrophobicContact CG-CB 4.19Å; K274-V280 PolarHBondContact O-N 3.37Å; K274-L282 HydrophobicContact CB-CD2 4.42Å; K274-L282 HydrophobicContact CD-CD2 4.01Å; K274-L282 HydrophobicContact CG-CD2 4.2Å; K274-E318 IonicContact NZ-OE1 3.93Å; K274-E318 IonicContact NZ-OE2 3.7Å; K274-E318 PolarHBondContact NZ-OE2 3.14Å
275V91.3Very high89.1Confident0 Ų023.5 Ų23.50%010%0.103CC..Hα-helixtrans-80.5-40.6177.41770000111.8L271 E273 N279 L282 V297L271-V275 WeakPolarHBondContact O-CG2 3.45Å; L271-V275 PolarHBondContact O-N 2.8Å; E273-V275 PolarHBondContact O-N 2.89Å; V275-N279 WeakPolarHBondContact O-CA 3.48Å; V275-N279 PolarHBondContact O-N 3.47Å; V275-L282 HydrophobicContact CG2-CD1 4.32Å; V275-L282 HydrophobicContact CG2-CD2 4Å; V275-L282 HydrophobicContact CG2-CG 3.99Å; V275-V297 HydrophobicContact CG1-CG1 4.12Å
276G88.9Confident88.1Confident3 Ų322.8 Ų22.83%0.03111%0.107CC..Hα-helixtrans-79-64.5-175.200000113.9G223 G272 E273 T294G223-G276 CarbonylContact O-C 3.11Å; G223-G276 WeakPolarHBondContact O-CA 3.4Å; G272-G276 WeakPolarHBondContact O-CA 3.35Å; G272-G276 PolarHBondContact O-N 3.02Å; E273-G276 PolarHBondContact O-N 3.39Å; G276-T294 WeakPolarHBondContact O-CG2 3.47Å
277A87.3Confident87.1Confident17 Ų1732.4 Ų32.414%0.1415%0.148CC..THydrogen-bonded Turntrans-77.6-45.6-17800000111.2L221 G223 E273 N279L221-A277 HydrophobicContact CB-CB 4.4Å; G223-A277 PolarHBondContact O-N 3.04Å; E273-A277 HydrophobicContact CG-CB 4.32Å; E273-A277 WeakPolarHBondContact O-CA 3.44Å; E273-A277 WeakPolarHBondContact O-CB 3.49Å; E273-A277 PolarHBondContact O-N 3.05Å; A277-N279 VanDerWaalsContact C-N 3.33Å; A277-N279 PolarHBondContact O-N 3.16Å
278G85.2Confident85.9Confident0 Ų033.6 Ų33.60%016%0.16CC..SBendtrans-73.9-20.1-178.900000114.7R164 E273 K274 V280R164-G278 WeakPolarHBondContact CA-O 3.38Å; R164-G278 WeakPolarHBondContact CB-O 3.42Å; R164-G278 PolarHBondContact N-O 2.98Å; E273-G278 PolarHBondContact O-N 3.18Å; K274-G278 CarbonylContact O-C 3.59Å; K274-G278 WeakPolarHBondContact O-CA 3.37Å; G278-V280 WeakPolarHBondContact O-CG2 3.17Å; G278-V280 PolarHBondContact O-N 3.39Å
279N89.8Confident85Confident13 Ų1343.3 Ų43.37%0.0720%0.196CC..  trans47.141.1-170.9-65.8-68.1000112.5K274 V275 A277 F291 S293 T294 V297K274-N279 PolarHBondContact O-N 3.23Å; V275-N279 WeakPolarHBondContact O-CA 3.48Å; V275-N279 PolarHBondContact O-N 3.47Å; A277-N279 VanDerWaalsContact C-N 3.33Å; A277-N279 PolarHBondContact O-N 3.16Å; N279-F291 HydrophobicContact CB-CB 4.22Å; N279-S293 PolarHBondContact OD1-O 3.41Å; N279-T294 VanDerWaalsContact OD1-CA 3.28Å; N279-T294 WeakPolarHBondContact OD1-CA 3.48Å; N279-T294 VanDerWaalsContact OD1-CG2 3.31Å; N279-T294 WeakPolarHBondContact OD1-CG2 3.43Å; N279-T294 PolarHBondContact OD1-N 3.4Å; N279-V297 VanDerWaalsContact C-CG2 3.41Å; N279-V297 HydrophobicContact CB-CG2 3.81Å; N279-V297 WeakPolarHBondContact O-CG2 3.32Å
280V87.9Confident84.5Confident6 Ų641.9 Ų41.94%0.03620%0.199CC..  trans-107.3136-176.9-171.50000110.5R164 K274 G278R164-V280 HydrophobicContact CB-CG2 4.2Å; R164-V280 HydrophobicContact CG-CG2 3.65Å; K274-V280 HydrophobicContact CG-CB 4.19Å; K274-V280 PolarHBondContact O-N 3.37Å; G278-V280 WeakPolarHBondContact O-CG2 3.17Å; G278-V280 PolarHBondContact O-N 3.39Å
281C90.6Very high84.3Confident4 Ų441.6 Ų41.63%0.02720%0.198CC..  trans-77.8126.71711740000110.4W283 C284 N285 F291 M301 H306C281-W283 PolarHBondContact O-N 3.26Å; C281-W283 VanDerWaalsContact O-N 3.11Å; C281-C284 HydrophobicContact CB-CB 4.15Å; C281-C284 PolarHBondContact O-N 3.16Å; C281-N285 PolarHBondContact O-N 3.13Å; C281-N285 VanDerWaalsContact O-N 3.15Å; C281-F291 HydrophobicContact CB-CE2 4.41Å; C281-M301 HydrophobicContact CB-CG 4.3Å; C281-H306 VanDerWaalsContact SG-CB 3.59Å
282L89.1Confident84.1Confident2 Ų249.3 Ų49.31%0.0123%0.228CC..THydrogen-bonded Turntrans-60-20.5-177.4-59.7179.1000115.2F232 F253 L271 K274 V275 N285 M301 F310F232-L282 HydrophobicContact CE1-CD1 4.12Å; F232-L282 HydrophobicContact CZ-CD1 4.25Å; F253-L282 HydrophobicContact CE2-CD1 4.42Å; L271-L282 HydrophobicContact CD2-CD1 4.14Å; L271-L282 HydrophobicContact CD2-CD2 3.63Å; K274-L282 HydrophobicContact CB-CD2 4.42Å; K274-L282 HydrophobicContact CD-CD2 4.01Å; K274-L282 HydrophobicContact CG-CD2 4.2Å; V275-L282 HydrophobicContact CG2-CD1 4.32Å; V275-L282 HydrophobicContact CG2-CD2 4Å; V275-L282 HydrophobicContact CG2-CG 3.99Å; L282-N285 PolarHBondContact O-OD1 2.88Å; L282-M301 HydrophobicContact CB-CE 3.77Å; L282-M301 HydrophobicContact CD1-CE 3.98Å; L282-M301 HydrophobicContact CG-CE 3.71Å; L282-F310 PolarHBondContact O-N 2.92Å
283W88.1Confident84.1Confident98 Ų9852 Ų5237%0.37125%0.247SC..THydrogen-bonded Turntrans-100-36.7179.4-171.6-102000113.1C281 H306 K308 F310C281-W283 PolarHBondContact O-N 3.26Å; C281-W283 VanDerWaalsContact O-N 3.11Å; W283-H306 HydrophobicContact CB-CB 3.81Å; W283-H306 AromaticContact CD1-CD2 3.75Å; W283-H306 AromaticContact CD1-CG 3.97Å; W283-H306 AromaticContact CD1-NE2 3.82Å; W283-H306 HydrophobicContact CG-CB 4.47Å; W283-K308 HydrophobicContact CE3-CB 3.93Å; W283-K308 HydrophobicContact CZ3-CB 4.2Å; W283-F310 HydrophobicContact CD2-CB 4.28Å; W283-F310 HydrophobicContact CD2-CD2 4.17Å; W283-F310 HydrophobicContact CE3-CB 3.68Å; W283-F310 AromaticContact CE3-CD2 3.95Å; W283-F310 HydrophobicContact CE3-CD2 3.95Å; W283-F310 HydrophobicContact CE3-CG 4.33Å; W283-F310 AromaticContact CH2-CD2 3.81Å; W283-F310 HydrophobicContact CH2-CD2 3.81Å; W283-F310 HydrophobicContact CH2-CE2 4.49Å; W283-F310 HydrophobicContact CZ2-CD2 4.03Å; W283-F310 HydrophobicContact CZ3-CB 4.02Å; W283-F310 AromaticContact CZ3-CD2 3.77Å; W283-F310 HydrophobicContact CZ3-CD2 3.77Å; W283-F310 HydrophobicContact CZ3-CG 4.4Å
284C85.6Confident84Confident25 Ų2554.5 Ų54.517%0.16926%0.262CS..THydrogen-bonded Turntrans-80-24.2-176.7-73.60000113.3C281 E286 K287 G288 H306C281-C284 HydrophobicContact CB-CB 4.15Å; C281-C284 PolarHBondContact O-N 3.16Å; C284-E286 PolarHBondContact O-N 3.31Å; C284-K287 PolarHBondContact O-N 3.18Å; C284-G288 PolarHBondContact O-N 3.38Å; C284-H306 PolarHBondContact SG-CE1 3.07Å; C284-H306 PolarHBondContact SG-ND1 2.74Å
285N75.2Confident84.1Confident23 Ų2361.4 Ų61.412%0.12330%0.295CS..G310 helixtrans35.5-111.4-171.8-66.4-17.2000110R164 C281 L282R164-N285 PolarHBondContact NH1-O 3.48Å; R164-N285 PolarHBondContact NH2-O 3.18Å; C281-N285 PolarHBondContact O-N 3.13Å; C281-N285 VanDerWaalsContact O-N 3.15Å; L282-N285 PolarHBondContact O-OD1 2.88Å
286E69.7Low84.1Confident157 Ų15763 Ų6373%0.73431%0.308SS*.G310 helixtrans-80.1-25.3-176.8-55.3-170.4153.200116.3C284 G288C284-E286 PolarHBondContact O-N 3.31Å; E286-G288 PolarHBondContact O-N 3.43Å
287K70.3Confident84.2Confident207 Ų20762.8 Ų62.890%0.931%0.306SS*.G310 helixtrans-82.1-3.9-175.7-60.9175.8-175.3170.40112.4C284C284-K287 PolarHBondContact O-N 3.18Å
288G65.5Low84.5Confident24 Ų2463.6 Ų63.625%0.24731%0.307CS..SBendtrans-94.1167.9-176.500000115.2C284 E286C284-G288 PolarHBondContact O-N 3.38Å; E286-G288 PolarHBondContact O-N 3.43Å
289R74.4Confident84.8Confident206 Ų20666 Ų6678%0.77732%0.324SS*.PPolyproline II helixtrans-67.1141.3168.9-61.7-177.5179.9-150.1-0.9109.3F291R289-F291 HydrophobicContact CB-CZ 4.46Å; R289-F291 WeakPolarHBondContact O-CD2 3.23Å; R289-F291 VanDerWaalsContact O-CE2 3.25Å; R289-F291 WeakPolarHBondContact O-CE2 3.47Å
290S81.1Confident84.9Confident51 Ų5166.2 Ų66.236%0.35733%0.325SS..PPolyproline II helixtrans-71.9131.5167.356.40000109.7
291F86.7Confident85.1Confident27 Ų2766 Ų6612%0.11832%0.323CS..PPolyproline II helixtrans-102.6155.6174-57.4-82.6000110.2N279 C281 R289 A296 V297 H300N279-F291 HydrophobicContact CB-CB 4.22Å; C281-F291 HydrophobicContact CB-CE2 4.41Å; R289-F291 HydrophobicContact CB-CZ 4.46Å; R289-F291 WeakPolarHBondContact O-CD2 3.23Å; R289-F291 VanDerWaalsContact O-CE2 3.25Å; R289-F291 WeakPolarHBondContact O-CE2 3.47Å; F291-A296 HydrophobicContact CD1-CB 4.06Å; F291-V297 HydrophobicContact CB-CG2 3.35Å; F291-V297 HydrophobicContact CD1-CG2 4.48Å; F291-V297 HydrophobicContact CD2-CB 4.47Å; F291-V297 HydrophobicContact CD2-CG2 3.61Å; F291-V297 HydrophobicContact CG-CG2 3.57Å; F291-H300 HydrophobicContact CE1-CB 3.85Å; F291-H300 HydrophobicContact CE2-CB 4.44Å; F291-H300 HydrophobicContact CZ-CB 3.63Å; F291-H300 AromaticContact CZ-CD2 3.7Å; F291-H300 AromaticContact CZ-CE1 3.87Å; F291-H300 AromaticContact CZ-CG 3.35Å; F291-H300 AromaticContact CZ-ND1 3.52Å
292Y86.9Confident85.1Confident163 Ų16368.6 Ų68.664%0.63934%0.339SS*.SBendtrans-115.4-4.2-178.8-64.2-86.9000112.6P162 P163P162-Y292 HydrophobicContact CB-CE1 3.84Å; P163-Y292 HydrophobicContact CG-CD1 4.34Å
293S90.9Very high85.3Confident56 Ų5674.9 Ų74.939%0.39237%0.373SS..SBendtrans-142.8149.1176.867.40000111N279 E295 A296 V297N279-S293 PolarHBondContact OD1-O 3.41Å; S293-E295 VanDerWaalsContact C-N 3.33Å; S293-E295 PolarHBondContact O-N 3Å; S293-A296 PolarHBondContact O-N 3.29Å; S293-A296 WeakPolarHBondContact OG-CB 3.45Å; S293-A296 PolarHBondContact OG-N 2.95Å; S293-V297 PolarHBondContact O-N 3.38Å
294T89.4Confident85.4Confident56 Ų5675.4 Ų75.434%0.34438%0.378SS..Hα-helixtrans-66.6-37.9-178.552.50000111.2G276 N279 A296 V297 Q298G276-T294 WeakPolarHBondContact O-CG2 3.47Å; N279-T294 VanDerWaalsContact OD1-CA 3.28Å; N279-T294 WeakPolarHBondContact OD1-CA 3.48Å; N279-T294 VanDerWaalsContact OD1-CG2 3.31Å; N279-T294 WeakPolarHBondContact OD1-CG2 3.43Å; N279-T294 PolarHBondContact OD1-N 3.4Å; T294-A296 VanDerWaalsContact C-N 3.32Å; T294-A296 PolarHBondContact O-N 3.24Å; T294-V297 WeakPolarHBondContact O-CB 3.3Å; T294-V297 PolarHBondContact O-N 2.9Å; T294-Q298 WeakPolarHBondContact O-CB 3.28Å; T294-Q298 VanDerWaalsContact O-CG 3.31Å; T294-Q298 WeakPolarHBondContact O-CG 3.23Å; T294-Q298 PolarHBondContact O-N 3.18Å
295E92.2Very high85.5Confident151 Ų15178 Ų7871%0.70640%0.396SS*.Hα-helixtrans-61.7-38.6175-171.7-179.9-175.100112.2S293 V297 Q298 S299S293-E295 VanDerWaalsContact C-N 3.33Å; S293-E295 PolarHBondContact O-N 3Å; E295-V297 VanDerWaalsContact C-N 3.34Å; E295-Q298 PolarHBondContact O-N 3.06Å; E295-S299 WeakPolarHBondContact O-CB 3.41Å; E295-S299 PolarHBondContact O-N 3.41Å; E295-S299 PolarHBondContact O-OG 3.27Å
296A92.1Very high86.2Confident33 Ų3378.7 Ų78.727%0.27340%0.398SS..Hα-helixtrans-67.6-35176.600000112.2F291 S293 T294 S299 H300F291-A296 HydrophobicContact CD1-CB 4.06Å; S293-A296 PolarHBondContact O-N 3.29Å; S293-A296 WeakPolarHBondContact OG-CB 3.45Å; S293-A296 PolarHBondContact OG-N 2.95Å; T294-A296 VanDerWaalsContact C-N 3.32Å; T294-A296 PolarHBondContact O-N 3.24Å; A296-S299 WeakPolarHBondContact CA-OG 3.39Å; A296-S299 PolarHBondContact O-OG 3.12Å; A296-S299 VanDerWaalsContact O-OG 3.07Å; A296-H300 VanDerWaalsContact O-CB 3.27Å; A296-H300 WeakPolarHBondContact O-CB 3.48Å; A296-H300 PolarHBondContact O-N 3.24Å; A296-H300 VanDerWaalsContact O-N 3.13Å
297V91.3Very high87.1Confident0 Ų071.5 Ų71.50%037%0.365CS..Hα-helixtrans-68.3-47.9173.1177.30000110.6V275 N279 F291 S293 T294 E295 H300 M301V275-V297 HydrophobicContact CG1-CG1 4.12Å; N279-V297 VanDerWaalsContact C-CG2 3.41Å; N279-V297 HydrophobicContact CB-CG2 3.81Å; N279-V297 WeakPolarHBondContact O-CG2 3.32Å; F291-V297 HydrophobicContact CB-CG2 3.35Å; F291-V297 HydrophobicContact CD1-CG2 4.48Å; F291-V297 HydrophobicContact CD2-CB 4.47Å; F291-V297 HydrophobicContact CD2-CG2 3.61Å; F291-V297 HydrophobicContact CG-CG2 3.57Å; S293-V297 PolarHBondContact O-N 3.38Å; T294-V297 WeakPolarHBondContact O-CB 3.3Å; T294-V297 PolarHBondContact O-N 2.9Å; E295-V297 VanDerWaalsContact C-N 3.34Å; V297-H300 WeakPolarHBondContact O-CB 3.44Å; V297-H300 PolarHBondContact O-N 2.99Å; V297-M301 HydrophobicContact CG1-CG 4.28Å; V297-M301 HydrophobicContact CG1-SD 3.77Å; V297-M301 VanDerWaalsContact O-CG 3.23Å; V297-M301 WeakPolarHBondContact O-CG 3.43Å; V297-M301 PolarHBondContact O-N 2.99Å
298Q92.1Very high88Confident33 Ų3366.7 Ų66.715%0.15434%0.344CS..Hα-helixtrans-61.4-47.9-178-74.5-179.2-12.300111.6L231 T294 E295 H300 M301 T302L231-Q298 WeakPolarHBondContact O-CG 3.31Å; L231-Q298 PolarHBondContact O-NE2 3.44Å; T294-Q298 WeakPolarHBondContact O-CB 3.28Å; T294-Q298 VanDerWaalsContact O-CG 3.31Å; T294-Q298 WeakPolarHBondContact O-CG 3.23Å; T294-Q298 PolarHBondContact O-N 3.18Å; E295-Q298 PolarHBondContact O-N 3.06Å; Q298-H300 PolarHBondContact O-N 3.15Å; Q298-M301 PolarHBondContact O-N 3.3Å; Q298-M301 VanDerWaalsContact O-N 3.15Å; Q298-T302 PolarHBondContact O-N 3.44Å; Q298-T302 PolarHBondContact O-OG1 3.35Å
299S91.9Very high89.1Confident50 Ų5066 Ų6635%0.3534%0.335SS..Hα-helixtrans-59.6-43.4173.950.40000112.3E295 A296 M301 T302 D303E295-S299 WeakPolarHBondContact O-CB 3.41Å; E295-S299 PolarHBondContact O-N 3.41Å; E295-S299 PolarHBondContact O-OG 3.27Å; A296-S299 WeakPolarHBondContact CA-OG 3.39Å; A296-S299 PolarHBondContact O-OG 3.12Å; A296-S299 VanDerWaalsContact O-OG 3.07Å; S299-M301 VanDerWaalsContact C-N 3.31Å; S299-M301 PolarHBondContact O-N 3.48Å; S299-T302 WeakPolarHBondContact CA-OG1 3.36Å; S299-T302 PolarHBondContact O-N 3.44Å; S299-T302 PolarHBondContact O-OG1 2.66Å; S299-D303 VanDerWaalsContact O-CB 3.25Å; S299-D303 WeakPolarHBondContact O-CB 3.36Å; S299-D303 PolarHBondContact O-N 3.49Å
300H92Very high89.6Confident19 Ų1958.7 Ų58.79%0.08831%0.309CS..Hα-helixtrans-59-42.1173.9170.687.9000112.7F291 A296 V297 Q298 K304 H306F291-H300 HydrophobicContact CE1-CB 3.85Å; F291-H300 HydrophobicContact CE2-CB 4.44Å; F291-H300 HydrophobicContact CZ-CB 3.63Å; F291-H300 AromaticContact CZ-CD2 3.7Å; F291-H300 AromaticContact CZ-CE1 3.87Å; F291-H300 AromaticContact CZ-CG 3.35Å; F291-H300 AromaticContact CZ-ND1 3.52Å; A296-H300 VanDerWaalsContact O-CB 3.27Å; A296-H300 WeakPolarHBondContact O-CB 3.48Å; A296-H300 PolarHBondContact O-N 3.24Å; A296-H300 VanDerWaalsContact O-N 3.13Å; V297-H300 WeakPolarHBondContact O-CB 3.44Å; V297-H300 PolarHBondContact O-N 2.99Å; Q298-H300 PolarHBondContact O-N 3.15Å; H300-K304 WeakPolarHBondContact CE1-CD 3.36Å; H300-K304 VanDerWaalsContact CE1-CE 3.43Å; H300-K304 WeakPolarHBondContact CE1-CE 3.45Å; H300-K304 PolarHBondContact CE1-NZ 3.17Å; H300-K304 WeakPolarHBondContact ND1-CE 3.5Å; H300-K304 WeakPolarHBondContact O-CB 3.47Å; H300-K304 PolarHBondContact O-N 3.47Å; H300-K304 VanDerWaalsContact O-N 3.1Å; H300-H306 AromaticContact NE2-ND1 3.41Å; H300-H306 PolarHBondContact NE2-ND1 3.43Å
301M91.6Very high89.6Confident0 Ų058.8 Ų58.80%031%0.307CS..Hα-helixtrans-67.2-40.8-179.9-70.1-179.388.600111.6F232 C281 L282 V297 Q298 S299 S305 H306 C307F232-M301 HydrophobicContact CD1-CB 4.38Å; F232-M301 HydrophobicContact CD1-CE 3.89Å; F232-M301 HydrophobicContact CD1-SD 4.02Å; F232-M301 HydrophobicContact CE1-CE 3.43Å; F232-M301 VanDerWaalsContact CE1-CE 3.43Å; F232-M301 HydrophobicContact CE1-SD 4.11Å; C281-M301 HydrophobicContact CB-CG 4.3Å; L282-M301 HydrophobicContact CB-CE 3.77Å; L282-M301 HydrophobicContact CD1-CE 3.98Å; L282-M301 HydrophobicContact CG-CE 3.71Å; V297-M301 HydrophobicContact CG1-CG 4.28Å; V297-M301 HydrophobicContact CG1-SD 3.77Å; V297-M301 VanDerWaalsContact O-CG 3.23Å; V297-M301 WeakPolarHBondContact O-CG 3.43Å; V297-M301 PolarHBondContact O-N 2.99Å; Q298-M301 PolarHBondContact O-N 3.3Å; Q298-M301 VanDerWaalsContact O-N 3.15Å; S299-M301 VanDerWaalsContact C-N 3.31Å; S299-M301 PolarHBondContact O-N 3.48Å; M301-S305 CarbonylContact O-C 3.57Å; M301-S305 VanDerWaalsContact O-CA 3.27Å; M301-S305 WeakPolarHBondContact O-CA 3.42Å; M301-S305 PolarHBondContact O-N 2.89Å; M301-H306 WeakPolarHBondContact CE-O 3.44Å; M301-H306 PolarHBondContact O-N 2.94Å; M301-C307 PolarHBondContact O-SG 3.21Å; M301-C307 VanDerWaalsContact O-SG 3.41Å
302T92.1Very high89.3Confident60 Ų6062.5 Ų62.537%0.36833%0.328SS..Hα-helixtrans-70.5-45.1176.253.70000112.4Q298 S299 K304 S305Q298-T302 PolarHBondContact O-N 3.44Å; Q298-T302 PolarHBondContact O-OG1 3.35Å; S299-T302 WeakPolarHBondContact CA-OG1 3.36Å; S299-T302 PolarHBondContact O-N 3.44Å; S299-T302 PolarHBondContact O-OG1 2.66Å; T302-K304 VanDerWaalsContact C-N 3.34Å; T302-K304 PolarHBondContact O-N 2.87Å; T302-S305 PolarHBondContact O-N 2.91Å
303D92.1Very high88.9Confident134 Ų13457.7 Ų57.772%0.71733%0.328SS*.Hα-helixtrans-67.9-34.8-175-68.5-9.7000112.3S299S299-D303 VanDerWaalsContact O-CB 3.25Å; S299-D303 WeakPolarHBondContact O-CB 3.36Å; S299-D303 PolarHBondContact O-N 3.49Å
304K89.8Confident88.1Confident109 Ų10961.2 Ų61.247%0.47434%0.343SS..THydrogen-bonded Turntrans-97.70.7178.2-59.8-165.8-173.2-172.70113.7H300 T302 H306H300-K304 WeakPolarHBondContact CE1-CD 3.36Å; H300-K304 VanDerWaalsContact CE1-CE 3.43Å; H300-K304 WeakPolarHBondContact CE1-CE 3.45Å; H300-K304 PolarHBondContact CE1-NZ 3.17Å; H300-K304 WeakPolarHBondContact ND1-CE 3.5Å; H300-K304 WeakPolarHBondContact O-CB 3.47Å; H300-K304 PolarHBondContact O-N 3.47Å; H300-K304 VanDerWaalsContact O-N 3.1Å; T302-K304 VanDerWaalsContact C-N 3.34Å; T302-K304 PolarHBondContact O-N 2.87Å; K304-H306 PolarHBondContact O-CD2 2.78Å; K304-H306 VanDerWaalsContact O-CD2 3.29Å; K304-H306 PolarHBondContact O-N 2.87Å
305S88.5Confident87.4Confident79 Ų7958.8 Ų58.855%0.55233%0.329SS*.THydrogen-bonded Turntrans5432.8-172.168.40000113.9M301 T302 C307M301-S305 CarbonylContact O-C 3.57Å; M301-S305 VanDerWaalsContact O-CA 3.27Å; M301-S305 WeakPolarHBondContact O-CA 3.42Å; M301-S305 PolarHBondContact O-N 2.89Å; T302-S305 PolarHBondContact O-N 2.91Å; S305-C307 PolarHBondContact O-N 2.91Å; S305-C307 VanDerWaalsContact O-N 3.14Å
306H90.1Very high86.6Confident38 Ų3853.8 Ų53.818%0.17631%0.313CS..  trans-81.928.9175.2-70.9-177000112.3C281 W283 C284 H300 M301 K304 K308C281-H306 VanDerWaalsContact SG-CB 3.59Å; W283-H306 HydrophobicContact CB-CB 3.81Å; W283-H306 AromaticContact CD1-CD2 3.75Å; W283-H306 AromaticContact CD1-CG 3.97Å; W283-H306 AromaticContact CD1-NE2 3.82Å; W283-H306 HydrophobicContact CG-CB 4.47Å; C284-H306 PolarHBondContact SG-CE1 3.07Å; C284-H306 PolarHBondContact SG-ND1 2.74Å; H300-H306 AromaticContact NE2-ND1 3.41Å; H300-H306 PolarHBondContact NE2-ND1 3.43Å; M301-H306 WeakPolarHBondContact CE-O 3.44Å; M301-H306 PolarHBondContact O-N 2.94Å; K304-H306 PolarHBondContact O-CD2 2.78Å; K304-H306 VanDerWaalsContact O-CD2 3.29Å; K304-H306 PolarHBondContact O-N 2.87Å; H306-K308 PolarHBondContact O-N 3.4Å; H306-K308 VanDerWaalsContact O-N 3.14Å
307C88.4Confident86.2Confident5 Ų558 Ų583%0.03433%0.33CS..  trans-84.740.8175.1-56.50000111.3F232 H251 F253 M301 S305F232-C307 HydrophobicContact CD1-CB 4.16Å; F232-C307 HydrophobicContact CD2-CB 4.32Å; F232-C307 HydrophobicContact CE1-CB 4.11Å; F232-C307 HydrophobicContact CE2-CB 4.25Å; F232-C307 HydrophobicContact CG-CB 4.27Å; F232-C307 HydrophobicContact CZ-CB 4.15Å; H251-C307 HydrophobicContact CB-CB 4.21Å; H251-C307 WeakPolarHBondContact O-CB 3.49Å; F253-C307 WeakPolarHBondContact CD2-O 3.48Å; M301-C307 PolarHBondContact O-SG 3.21Å; M301-C307 VanDerWaalsContact O-SG 3.41Å; S305-C307 PolarHBondContact O-N 2.91Å; S305-C307 VanDerWaalsContact O-N 3.14Å
308K88.7Confident85.8Confident106 Ų10661.6 Ų61.646%0.46135%0.347SS..SBendtrans-127.2146-179.8-60.2178.6-170.41790108.5W283 H306W283-K308 HydrophobicContact CE3-CB 3.93Å; W283-K308 HydrophobicContact CZ3-CB 4.2Å; H306-K308 PolarHBondContact O-N 3.4Å; H306-K308 VanDerWaalsContact O-N 3.14Å
309L88.4Confident85.4Confident11 Ų1160.4 Ų60.46%0.05834%0.341CS..  trans-79.1127.2173.6-164.466.1000108.9F253 L271 T311 F319F253-L309 HydrophobicContact CE2-CB 4.49Å; L271-L309 HydrophobicContact CD2-CD1 3.64Å; L309-T311 HydrophobicContact CD2-CG2 4.06Å; L309-T311 HydrophobicContact CG-CG2 4.15Å; L309-F319 HydrophobicContact CD1-CE1 4.08Å; L309-F319 HydrophobicContact CD1-CE2 4Å; L309-F319 HydrophobicContact CD1-CZ 3.57Å; L309-F319 HydrophobicContact CD2-CD2 4.43Å; L309-F319 HydrophobicContact CD2-CE2 4.32Å; L309-F319 HydrophobicContact CD2-CZ 4.46Å; L309-F319 HydrophobicContact CG-CE2 4.11Å; L309-F319 HydrophobicContact CG-CZ 4.19Å
310F84.8Confident85.1Confident52 Ų5260 Ų6023%0.22834%0.341CS..  trans-87.7112.4173.4-176.9-99.1000109.1L282 W283 D312 A315L282-F310 PolarHBondContact O-N 2.92Å; W283-F310 HydrophobicContact CD2-CB 4.28Å; W283-F310 HydrophobicContact CD2-CD2 4.17Å; W283-F310 HydrophobicContact CE3-CB 3.68Å; W283-F310 AromaticContact CE3-CD2 3.95Å; W283-F310 HydrophobicContact CE3-CD2 3.95Å; W283-F310 HydrophobicContact CE3-CG 4.33Å; W283-F310 AromaticContact CH2-CD2 3.81Å; W283-F310 HydrophobicContact CH2-CD2 3.81Å; W283-F310 HydrophobicContact CH2-CE2 4.49Å; W283-F310 HydrophobicContact CZ2-CD2 4.03Å; W283-F310 HydrophobicContact CZ3-CB 4.02Å; W283-F310 AromaticContact CZ3-CD2 3.77Å; W283-F310 HydrophobicContact CZ3-CD2 3.77Å; W283-F310 HydrophobicContact CZ3-CG 4.4Å; F310-D312 HydrophobicContact CE1-CB 4.15Å; F310-D312 WeakPolarHBondContact CE1-O 3.36Å; F310-D312 HydrophobicContact CE2-CB 3.89Å; F310-D312 HydrophobicContact CZ-CB 3.63Å; F310-A315 HydrophobicContact CD1-CB 3.7Å; F310-A315 HydrophobicContact CE1-CB 4.16Å; F310-A315 WeakPolarHBondContact O-CB 3.46Å
311T80.8Confident84.8Confident52 Ų5266.3 Ų66.332%0.31938%0.375SS..  trans-113.210.6-178.552.60000113.1P256 L309 A316P256-T311 HydrophobicContact CB-CG2 4.42Å; P256-T311 HydrophobicContact CG-CG2 3.79Å; L309-T311 HydrophobicContact CD2-CG2 4.06Å; L309-T311 HydrophobicContact CG-CG2 4.15Å; T311-A316 WeakPolarHBondContact O-CB 3.46Å
312D80.7Confident84.7Confident105 Ų10568 Ų6856%0.56138%0.383SS*.SBendtrans-85.9131.9179.7-62.8-32.5000110.9F310F310-D312 HydrophobicContact CE1-CB 4.15Å; F310-D312 WeakPolarHBondContact CE1-O 3.36Å; F310-D312 HydrophobicContact CE2-CB 3.89Å; F310-D312 HydrophobicContact CZ-CB 3.63Å
313G80Confident84.4Confident62 Ų6266.4 Ų66.464%0.63937%0.37SS*.G310 helixtrans72.8-138.4174.200000113.7A315 A316G313-A315 PolarHBondContact O-N 3.3Å; G313-A315 VanDerWaalsContact O-N 3.16Å; G313-A316 VanDerWaalsContact O-CB 3.3Å; G313-A316 WeakPolarHBondContact O-CB 3.21Å; G313-A316 PolarHBondContact O-N 3.07Å
314D72.2Confident84.1Confident131 Ų13163 Ų6370%0.70135%0.352SS*.G310 helixtrans-59.3-27.8-173.9-156.321.8000113.3A316 L317D314-A316 PolarHBondContact O-N 3.49Å; D314-L317 WeakPolarHBondContact O-CB 3.33Å; D314-L317 PolarHBondContact O-N 3Å; D314-L317 VanDerWaalsContact O-N 3.13Å
315A74.9Confident83.6Confident5 Ų561.6 Ų61.64%0.04135%0.346CS..G310 helixtrans-65.1-21.6176.200000113.4F310 G313 L317 F319F310-A315 HydrophobicContact CD1-CB 3.7Å; F310-A315 HydrophobicContact CE1-CB 4.16Å; F310-A315 WeakPolarHBondContact O-CB 3.46Å; G313-A315 PolarHBondContact O-N 3.3Å; G313-A315 VanDerWaalsContact O-N 3.16Å; A315-L317 VanDerWaalsContact C-N 3.31Å; A315-F319 WeakPolarHBondContact O-CD2 3.41Å; A315-F319 WeakPolarHBondContact O-CE2 3.49Å
316A77.1Confident83.1Confident45 Ų4566 Ų6637%0.37235%0.351SS..G310 helixtrans-67.2-34.6174.800000111.9T311 G313 D314 E318 F319 A320T311-A316 WeakPolarHBondContact O-CB 3.46Å; G313-A316 VanDerWaalsContact O-CB 3.3Å; G313-A316 WeakPolarHBondContact O-CB 3.21Å; G313-A316 PolarHBondContact O-N 3.07Å; D314-A316 PolarHBondContact O-N 3.49Å; A316-E318 VanDerWaalsContact C-N 3.33Å; A316-E318 PolarHBondContact O-N 3.1Å; A316-F319 PolarHBondContact O-N 3.46Å; A316-A320 PolarHBondContact O-N 3.44Å
317L82.8Confident82Confident122 Ų12268.1 Ų68.164%0.63937%0.37SS*.G310 helixtrans-68.1-34.4-178.9-65.9170.2000111.4D314 A315 F319 A320D314-L317 WeakPolarHBondContact O-CB 3.33Å; D314-L317 PolarHBondContact O-N 3Å; D314-L317 VanDerWaalsContact O-N 3.13Å; A315-L317 VanDerWaalsContact C-N 3.31Å; L317-F319 PolarHBondContact O-N 3.27Å; L317-F319 VanDerWaalsContact O-N 3.14Å; L317-A320 WeakPolarHBondContact O-CB 3.37Å; L317-A320 PolarHBondContact O-N 2.86Å
318E82.4Confident80.9Confident76 Ų7670.3 Ų70.336%0.35539%0.385SS..G310 helixtrans-60.5-23.3175.6-64.7-177.4-155.600113.7Y270 K274 A316Y270-E318 PolarHBondContact OH-OE2 3.34Å; K274-E318 IonicContact NZ-OE1 3.93Å; K274-E318 IonicContact NZ-OE2 3.7Å; K274-E318 PolarHBondContact NZ-OE2 3.14Å; A316-E318 VanDerWaalsContact C-N 3.33Å; A316-E318 PolarHBondContact O-N 3.1Å
319F84.8Confident80Confident7 Ų773 Ų733%0.03139%0.393CS..G310 helixtrans-105.9-2.1-177.8-53.5-63.5000112.9L267 Y270 L271 L309 A315 A316 L317 D321 F322 Y323L267-F319 HydrophobicContact CD1-CD1 3.93Å; Y270-F319 HydrophobicContact CD1-CD1 4.2Å; Y270-F319 AromaticContact CD1-CE1 3.98Å; Y270-F319 HydrophobicContact CD1-CE1 3.98Å; Y270-F319 HydrophobicContact CE1-CD1 4.01Å; Y270-F319 AromaticContact CE1-CE1 3.63Å; Y270-F319 HydrophobicContact CE1-CE1 3.63Å; L271-F319 HydrophobicContact CD2-CE1 4.04Å; L309-F319 HydrophobicContact CD1-CE1 4.08Å; L309-F319 HydrophobicContact CD1-CE2 4Å; L309-F319 HydrophobicContact CD1-CZ 3.57Å; L309-F319 HydrophobicContact CD2-CD2 4.43Å; L309-F319 HydrophobicContact CD2-CE2 4.32Å; L309-F319 HydrophobicContact CD2-CZ 4.46Å; L309-F319 HydrophobicContact CG-CE2 4.11Å; L309-F319 HydrophobicContact CG-CZ 4.19Å; A315-F319 WeakPolarHBondContact O-CD2 3.41Å; A315-F319 WeakPolarHBondContact O-CE2 3.49Å; A316-F319 PolarHBondContact O-N 3.46Å; L317-F319 PolarHBondContact O-N 3.27Å; L317-F319 VanDerWaalsContact O-N 3.14Å; F319-D321 VanDerWaalsContact C-N 3.26Å; F319-D321 PolarHBondContact O-N 3.39Å; F319-F322 PolarHBondContact O-N 3.03Å; F319-F322 VanDerWaalsContact O-N 3.14Å; F319-Y323 HydrophobicContact CB-CE2 4.41Å; F319-Y323 WeakPolarHBondContact O-CD2 3.36Å
320A85.2Confident78.6Confident43 Ų4378.3 Ų78.336%0.35543%0.429SS..G310 helixtrans-57-39-172.200000112.6A316 L317 F322 Y323A316-A320 PolarHBondContact O-N 3.44Å; L317-A320 WeakPolarHBondContact O-CB 3.37Å; L317-A320 PolarHBondContact O-N 2.86Å; A320-F322 PolarHBondContact O-N 3.43Å; A320-Y323 PolarHBondContact O-N 3.34Å
321D86.3Confident77.2Confident150 Ų15082 Ų8280%0.80245%0.451SS*.G310 helixtrans-61.4-21.1-177.6-53.2-22.8000113.8F319F319-D321 VanDerWaalsContact C-N 3.26Å; F319-D321 PolarHBondContact O-N 3.39Å
322F87.8Confident75.7Confident35 Ų3586.1 Ų86.115%0.15446%0.46CS..G310 helixtrans-91.5-9.7179.9-54.9-70.7000113.6V262 L267 Y270 F319 A320V262-F322 PolarHBondContact N-O 3.41Å; V262-F322 VanDerWaalsContact N-O 3.15Å; L267-F322 HydrophobicContact CB-CB 4.42Å; L267-F322 HydrophobicContact CB-CD1 4.47Å; L267-F322 HydrophobicContact CB-CG 4.25Å; L267-F322 HydrophobicContact CD1-CD2 3.94Å; L267-F322 HydrophobicContact CD1-CE2 4.47Å; L267-F322 HydrophobicContact CD1-CG 4.32Å; Y270-F322 HydrophobicContact CD1-CE2 4.16Å; Y270-F322 HydrophobicContact CG-CE2 4.3Å; Y270-F322 HydrophobicContact CG-CZ 4.31Å; F319-F322 PolarHBondContact O-N 3.03Å; F319-F322 VanDerWaalsContact O-N 3.14Å; A320-F322 PolarHBondContact O-N 3.43Å
323Y87.8Confident74Confident27 Ų2785.1 Ų85.111%0.10646%0.462CS..BIsolated β-bridgetrans-118.9136.1-174.2-74.2-96.7000111.4I255 P256 D257 F260 L261 L267 F319 A320 F325I255-Y323 WeakPolarHBondContact CG2-OH 3.17Å; P256-Y323 VanDerWaalsContact O-CE1 3.31Å; P256-Y323 WeakPolarHBondContact O-CE1 3.42Å; P256-Y323 PolarHBondContact O-OH 2.85Å; D257-Y323 HydrophobicContact CB-CE1 4.17Å; D257-Y323 WeakPolarHBondContact O-CE1 3.04Å; F260-Y323 HydrophobicContact CB-CD1 4.42Å; F260-Y323 CarbonylContact O-C 3.43Å; F260-Y323 WeakPolarHBondContact O-CA 3.49Å; L261-Y323 HydrophobicContact CB-CD1 4.17Å; L261-Y323 HydrophobicContact CB-CE1 3.94Å; L261-Y323 HydrophobicContact CD1-CE1 3.97Å; L261-Y323 HydrophobicContact CD1-CE2 4.4Å; L261-Y323 HydrophobicContact CG-CD1 4.35Å; L261-Y323 HydrophobicContact CG-CE1 3.97Å; L261-Y323 HydrophobicContact CG-CE2 4.44Å; L267-Y323 HydrophobicContact CD2-CE2 4.43Å; F319-Y323 HydrophobicContact CB-CE2 4.41Å; F319-Y323 WeakPolarHBondContact O-CD2 3.36Å; A320-Y323 PolarHBondContact O-N 3.34Å; Y323-F325 VanDerWaalsContact CB-CE2 3.46Å; Y323-F325 HydrophobicContact CD1-CE1 4.47Å; Y323-F325 HydrophobicContact CD1-CE2 4.45Å; Y323-F325 AromaticContact CD1-CZ 3.92Å; Y323-F325 HydrophobicContact CD1-CZ 3.92Å; Y323-F325 HydrophobicContact CG-CE2 4.13Å; Y323-F325 HydrophobicContact CG-CZ 4.03Å
324D84.1Confident72.3Confident62 Ų6291.9 Ų91.933%0.33248%0.477SS..  trans-113.194.8172.4-176.112.6000110.9F260 V262 R326F260-D324 PolarHBondContact O-N 3.03Å; V262-D324 HydrophobicContact CG2-CB 3.44Å; V262-D324 VanDerWaalsContact CG2-CB 3.44Å; D324-R326 VanDerWaalsContact C-N 3.27Å; D324-R326 PolarHBondContact O-N 2.97Å; D324-R326 WeakPolarHBondContact OD1-CB 3.46Å; D324-R326 WeakPolarHBondContact OD1-CD 3.29Å; D324-R326 WeakPolarHBondContact OD1-CG 3.09Å; D324-R326 PolarHBondContact OD1-N 2.56Å
325F80.8Confident71.1Confident80 Ų8089.3 Ų89.335%0.35148%0.482SS..G310 helixtrans-81.6-0.8175.6-62-74.3000113.3D257 F260 Y323 S327 S328 Y329D257-F325 HydrophobicContact CB-CE1 4.32Å; F260-F325 HydrophobicContact CB-CD1 4.03Å; F260-F325 HydrophobicContact CB-CE1 4.11Å; F260-F325 AromaticContact CD2-CD1 3.95Å; F260-F325 HydrophobicContact CD2-CD1 3.95Å; F260-F325 HydrophobicContact CD2-CE1 4.02Å; F260-F325 HydrophobicContact CG-CD1 4.04Å; F260-F325 HydrophobicContact CG-CE1 4.34Å; Y323-F325 VanDerWaalsContact CB-CE2 3.46Å; Y323-F325 HydrophobicContact CD1-CE1 4.47Å; Y323-F325 HydrophobicContact CD1-CE2 4.45Å; Y323-F325 AromaticContact CD1-CZ 3.92Å; Y323-F325 HydrophobicContact CD1-CZ 3.92Å; Y323-F325 HydrophobicContact CG-CE2 4.13Å; Y323-F325 HydrophobicContact CG-CZ 4.03Å; F325-S327 PolarHBondContact O-N 3.24Å; F325-S327 VanDerWaalsContact O-N 3.11Å; F325-S328 WeakPolarHBondContact O-CB 3.45Å; F325-S328 PolarHBondContact O-N 3.37Å; F325-S328 PolarHBondContact O-OG 2.94Å; F325-S328 VanDerWaalsContact O-OG 3.1Å; F325-Y329 HydrophobicContact CB-CE2 4.28Å; F325-Y329 WeakPolarHBondContact O-CD2 3.38Å; F325-Y329 WeakPolarHBondContact O-CE2 3.46Å
326R76.4Confident69.6Low172 Ų17292.6 Ų92.665%0.64951%0.508SS*.G310 helixtrans-61.4-24.2-178.9-67172.8150.4178-7.1112.8D324 S328D324-R326 VanDerWaalsContact C-N 3.27Å; D324-R326 PolarHBondContact O-N 2.97Å; D324-R326 WeakPolarHBondContact OD1-CB 3.46Å; D324-R326 WeakPolarHBondContact OD1-CD 3.29Å; D324-R326 WeakPolarHBondContact OD1-CG 3.09Å; D324-R326 PolarHBondContact OD1-N 2.56Å; R326-S328 VanDerWaalsContact C-N 3.34Å
327S67.9Low68Low82 Ų8297 Ų9757%0.57353%0.526SS*.G310 helixtrans-77.7-16.2177.160.60000113.9F260 F325F260-S327 VanDerWaalsContact CD1-OG 3.28Å; F260-S327 WeakPolarHBondContact CD1-OG 3.38Å; F260-S327 WeakPolarHBondContact CE1-OG 3.21Å; F325-S327 PolarHBondContact O-N 3.24Å; F325-S327 VanDerWaalsContact O-N 3.11Å
328S65.9Low66.2Low51 Ų5199.5 Ų99.536%0.35753%0.534SS..THydrogen-bonded Turntrans-87.8-16.3-176.6-26.90000113.2F260 F325 R326 P330F260-S328 VanDerWaalsContact CD1-OG 3.31Å; F260-S328 WeakPolarHBondContact CD1-OG 3.39Å; F260-S328 WeakPolarHBondContact CE1-OG 3.3Å; F260-S328 WeakPolarHBondContact CZ-OG 3.4Å; F325-S328 WeakPolarHBondContact O-CB 3.45Å; F325-S328 PolarHBondContact O-N 3.37Å; F325-S328 PolarHBondContact O-OG 2.94Å; F325-S328 VanDerWaalsContact O-OG 3.1Å; R326-S328 VanDerWaalsContact C-N 3.34Å; S328-P330 WeakPolarHBondContact O-CD 3.31Å
329Y67.9Low64.4Low162 Ų162104.6 Ų104.664%0.63556%0.558SS**  trans-80117.8-178-70.2-83000110.7F325 D331 R332F325-Y329 HydrophobicContact CB-CE2 4.28Å; F325-Y329 WeakPolarHBondContact O-CD2 3.38Å; F325-Y329 WeakPolarHBondContact O-CE2 3.46Å; Y329-D331 PolarHBondContact O-N 3.44Å; Y329-R332 PolarHBondContact O-N 3.31Å
330P59.2Low62.4Low123 Ų123113.1 Ų113.180%0.79960%0.6SS**THydrogen-bonded Turntrans-63-13.5-177.1-22.533.3000115.5S328S328-P330 WeakPolarHBondContact O-CD 3.31Å
331D56.3Low60.1Low130 Ų130116.9 Ų116.970%0.69561%0.614SS**THydrogen-bonded Turntrans-92.99.2-175.1-67.6-32.9000113.4Y329 S333 K348Y329-D331 PolarHBondContact O-N 3.44Å; D331-S333 PolarHBondContact O-N 3.47Å; D331-S333 VanDerWaalsContact O-N 3.11Å; D331-K348 IonicContact OD1-NZ 3.44Å
332R50Low58.4Low138 Ų138118.2 Ų118.252%0.52162%0.616SS.*  trans-81.191.9173.8-163.4167.3-172.7-1800.1110.7Y329 E334Y329-R332 PolarHBondContact O-N 3.31Å; R332-E334 PolarHBondContact O-N 3.18Å
333S45.2Very low56.5Low85 Ų85123.1 Ų123.159%0.59464%0.643SS**  trans-64.9124.7156.153.40000108.4D331 G335D331-S333 PolarHBondContact O-N 3.47Å; D331-S333 VanDerWaalsContact O-N 3.11Å; S333-G335 PolarHBondContact O-N 2.82Å
334E42.8Very low54.7Low203 Ų203129.2 Ų129.295%0.94968%0.677SS**THydrogen-bonded Turntrans-55.8105.3174.6-65-176.3168.100109.7R332R332-E334 PolarHBondContact O-N 3.18Å
335G48Very low52.9Low78 Ų78131.7 Ų131.780%0.80470%0.697SS**THydrogen-bonded Turntrans131.79.217200000118.4S333S333-G335 PolarHBondContact O-N 2.82Å
336A42.1Very low51.7Low73 Ų73133.9 Ų133.960%0.60371%0.712SS**  trans-104.377.7174.100000111.1E338A336-E338 VanDerWaalsContact C-N 3.34Å
337D45.1Very low50.5Low137 Ų137134.5 Ų134.573%0.73372%0.722SS**  trans-92.272.4159.5-66.1-21.3000106.9
338E44.8Very low50Low175 Ų175137.5 Ų137.582%0.81873%0.725SS**SBendtrans-165.6119.8171.3-109.2157.3-145.500110.3A336A336-E338 VanDerWaalsContact C-N 3.34Å
339E43.4Very low49.8Very low183 Ų183139.9 Ų139.986%0.85573%0.734SS**  trans57.1113.6158.8-62-180177.400118.5N341E339-N341 VanDerWaalsContact C-N 3.29Å; E339-N341 PolarHBondContact O-N 3.47Å
340M42.5Very low49.8Very low186 Ų186137.2 Ų137.292%0.91673%0.73SS**  trans-57.889.5164.8-173.2-175.8-160.800109.7E342M340-E342 PolarHBondContact O-N 3.02Å
341N37.6Very low50.6Low123 Ų123137.8 Ų137.866%0.65872%0.722SS**  trans-72.6114.7169-163.4-24.2000108.1E339 D343E339-N341 VanDerWaalsContact C-N 3.29Å; E339-N341 PolarHBondContact O-N 3.47Å; N341-D343 PolarHBondContact O-N 3.34Å; N341-D343 VanDerWaalsContact O-N 3.11Å; N341-D343 PolarHBondContact OD1-N 2.77Å
342E49.9Very low51.7Low177 Ų177136.8 Ų136.883%0.82771%0.709SS**SBendtrans-64.2-9.3-178.4-73.8-17114400113.7M340 L344M340-E342 PolarHBondContact O-N 3.02Å; E342-L344 PolarHBondContact O-N 3.27Å
343D48.4Very low53.2Low138 Ų138133.1 Ų133.174%0.73870%0.7SS**  trans-94.976-179.7-69.6-41.8000111.9N341N341-D343 PolarHBondContact O-N 3.34Å; N341-D343 VanDerWaalsContact O-N 3.11Å; N341-D343 PolarHBondContact OD1-N 2.77Å
344L50Low54.8Low156 Ų156135.2 Ų135.282%0.81770%0.704SS**  trans-59.9124.7163.9-88.1151000110E342 D346E342-L344 PolarHBondContact O-N 3.27Å; L344-D346 PolarHBondContact O-N 3.11Å
345P47Very low56.6Low114 Ų114134.3 Ų134.374%0.7470%0.7SS**  trans-70.3119.3179.225.2-30.3000111.2E347P345-E347 PolarHBondContact O-N 3.44Å
346D54.4Low58Low125 Ų125133.4 Ų133.467%0.66868%0.679SS**  trans-63.416.5-179.4-121.7-30.5000115.2L344 N349L344-D346 PolarHBondContact O-N 3.11Å; D346-N349 PolarHBondContact O-ND2 3.44Å; D346-N349 PolarHBondContact OD1-ND2 3.33Å
347E52.7Low60Low186 Ų186133.6 Ų133.687%0.86967%0.669SS**THydrogen-bonded Turntrans-103.217.4-162.8-67.7-152.8153.300116.2P345P345-E347 PolarHBondContact O-N 3.44Å
348K57Low62Low145 Ų145129.5 Ų129.563%0.6365%0.645SS**THydrogen-bonded Turntrans-126.845.5164.8-69.8179.5-169.11610110.8D331 L350 P362D331-K348 IonicContact OD1-NZ 3.44Å; K348-L350 PolarHBondContact O-N 2.87Å; K348-L350 VanDerWaalsContact O-N 3.15Å; K348-P362 HydrophobicContact CB-CB 4.07Å; K348-P362 HydrophobicContact CB-CG 4.19Å; K348-P362 HydrophobicContact CG-CB 4.46Å; K348-P362 WeakPolarHBondContact O-CG 3.22Å
349N61Low64.1Low101 Ų101123.5 Ų123.554%0.5462%0.618SS.*  trans-64.3116.2-173.2-98.5-45000111.3D346 E351D346-N349 PolarHBondContact O-ND2 3.44Å; D346-N349 PolarHBondContact OD1-ND2 3.33Å; N349-E351 PolarHBondContact O-N 3.42Å
350L67.8Low66.2Low105 Ų105116.4 Ų116.455%0.5559%0.588SS.*  trans-5991.3159.4-86.4131.6000107.6K348 Y352 L359 L361K348-L350 PolarHBondContact O-N 2.87Å; K348-L350 VanDerWaalsContact O-N 3.15Å; L350-Y352 PolarHBondContact O-N 2.81Å; L350-L359 HydrophobicContact CB-CD1 4.42Å; L350-L359 HydrophobicContact CD2-CD1 4Å; L350-L359 HydrophobicContact CD2-CD2 4.09Å; L350-L359 HydrophobicContact CD2-CG 4.26Å; L350-L361 HydrophobicContact CD2-CD2 3.98Å
351E76.3Confident68.2Low135 Ų135110.4 Ų110.463%0.63156%0.559SS**EExtended strand (participates in β ladder)trans-84.9111.4-179.6-171.8-179.6-16600108.6N349 T360N349-E351 PolarHBondContact O-N 3.42Å; E351-T360 WeakPolarHBondContact CB-OG1 3.4Å; E351-T360 PolarHBondContact N-O 3.5Å; E351-T360 PolarHBondContact O-N 3.25Å; E351-T360 PolarHBondContact O-OG1 2.95Å
352Y79.6Confident70.3Confident110 Ų110108.2 Ų108.243%0.43155%0.551SS.*EExtended strand (participates in β ladder)trans-94.4115.8170.8-175.2-109.4000109.2L350 D354 L359L350-Y352 PolarHBondContact O-N 2.81Å; Y352-D354 WeakPolarHBondContact CD1-OD1 3.12Å; Y352-D354 WeakPolarHBondContact CE1-OD1 3.31Å; Y352-D354 PolarHBondContact O-N 3.46Å; Y352-L359 HydrophobicContact CD2-CB 4.16Å; Y352-L359 HydrophobicContact CD2-CD1 4.21Å
353D81.3Confident71.8Confident61 Ų61104.5 Ų104.533%0.32655%0.545SS..EExtended strand (participates in β ladder)trans-88.3104174.2179.61.2000109.4E355 T356 M357 E358D353-E355 PolarHBondContact O-N 2.82Å; D353-E355 WeakPolarHBondContact OD1-CB 3.35Å; D353-E355 PolarHBondContact OD1-N 3.47Å; D353-T356 WeakPolarHBondContact CB-OG1 3.43Å; D353-T356 PolarHBondContact O-N 3.45Å; D353-T356 PolarHBondContact OD1-N 2.89Å; D353-T356 VanDerWaalsContact OD2-CB 3.31Å; D353-T356 WeakPolarHBondContact OD2-CB 3.35Å; D353-T356 WeakPolarHBondContact OD2-CG2 3.24Å; D353-T356 PolarHBondContact OD2-OG1 3.47Å; D353-M357 VanDerWaalsContact O-CA 3.24Å; D353-M357 WeakPolarHBondContact O-CA 3.26Å; D353-M357 PolarHBondContact O-N 3.47Å; D353-E358 PolarHBondContact N-O 3.46Å; D353-E358 PolarHBondContact O-N 2.91Å
354D79Confident73.3Confident129 Ų129101 Ų10169%0.6954%0.541SS*.THydrogen-bonded Turntrans-58.3-28.1177.6-81.6-23000112.6Y352Y352-D354 WeakPolarHBondContact CD1-OD1 3.12Å; Y352-D354 WeakPolarHBondContact CE1-OD1 3.31Å; Y352-D354 PolarHBondContact O-N 3.46Å
355E80.4Confident75.1Confident183 Ų18395.8 Ų95.886%0.85552%0.521SS*.THydrogen-bonded Turntrans-81-44.4-177.4-62.7-170.517000112D353D353-E355 PolarHBondContact O-N 2.82Å; D353-E355 WeakPolarHBondContact OD1-CB 3.35Å; D353-E355 PolarHBondContact OD1-N 3.47Å
356T77.9Confident77.1Confident60 Ų6097.2 Ų97.237%0.36852%0.515SS..THydrogen-bonded Turntrans-88.8-9.3178.563.90000113.3D353 E358D353-T356 WeakPolarHBondContact CB-OG1 3.43Å; D353-T356 PolarHBondContact O-N 3.45Å; D353-T356 PolarHBondContact OD1-N 2.89Å; D353-T356 VanDerWaalsContact OD2-CB 3.31Å; D353-T356 WeakPolarHBondContact OD2-CB 3.35Å; D353-T356 WeakPolarHBondContact OD2-CG2 3.24Å; D353-T356 PolarHBondContact OD2-OG1 3.47Å; T356-E358 PolarHBondContact O-N 3.37Å
357M83Confident78.8Confident77 Ų7794.8 Ų94.838%0.37951%0.505SS..THydrogen-bonded Turntrans51.936.2-171.9-52.7-176.8-164.100111.9D353 H369 L372D353-M357 VanDerWaalsContact O-CA 3.24Å; D353-M357 WeakPolarHBondContact O-CA 3.26Å; D353-M357 PolarHBondContact O-N 3.47Å; M357-H369 HydrophobicContact CB-CB 3.76Å; M357-H369 WeakPolarHBondContact O-CB 3.38Å; M357-H369 PolarHBondContact O-N 3.47Å; M357-L372 HydrophobicContact CB-CD1 4.31Å
358E87.4Confident80.6Confident50 Ų5087.6 Ų87.623%0.23448%0.481CS..EExtended strand (participates in β ladder)trans-107.9134.8177.4-63.9-174.9172.500109.8D353 T356 K366D353-E358 PolarHBondContact N-O 3.46Å; D353-E358 PolarHBondContact O-N 2.91Å; T356-E358 PolarHBondContact O-N 3.37Å; E358-K366 IonicContact OE2-NZ 2.91Å; E358-K366 PolarHBondContact OE2-NZ 3.01Å
359L89.3Confident82.2Confident49 Ų4984 Ų8426%0.25747%0.466SS..EExtended strand (participates in β ladder)trans-101.2122.2171.3179.667.8000108.8L350 Y352 K366 V367L350-L359 HydrophobicContact CB-CD1 4.42Å; L350-L359 HydrophobicContact CD2-CD1 4Å; L350-L359 HydrophobicContact CD2-CD2 4.09Å; L350-L359 HydrophobicContact CD2-CG 4.26Å; Y352-L359 HydrophobicContact CD2-CB 4.16Å; Y352-L359 HydrophobicContact CD2-CD1 4.21Å; L359-K366 CarbonylContact O-C 3.57Å; L359-K366 WeakPolarHBondContact O-CA 3.41Å; L359-V367 HydrophobicContact CB-CB 4.31Å; L359-V367 PolarHBondContact N-O 3.07Å; L359-V367 PolarHBondContact O-N 2.94Å
360T86.8Confident83.6Confident35 Ų3588.5 Ų88.522%0.21548%0.475CS..EExtended strand (participates in β ladder)trans-95.2125.4172.4690000109.6E351 K366E351-T360 WeakPolarHBondContact CB-OG1 3.4Å; E351-T360 PolarHBondContact N-O 3.5Å; E351-T360 PolarHBondContact O-N 3.25Å; E351-T360 PolarHBondContact O-OG1 2.95Å; T360-K366 HydrophobicContact CG2-CG 4.21Å
361L85.7Confident84.7Confident60 Ų6086.8 Ų86.831%0.31447%0.472SS..PPolyproline II helixtrans-85.1155.8178-70.1160.2000109.9L350 S363 G364 A365 V367L350-L361 HydrophobicContact CD2-CD2 3.98Å; L361-S363 WeakPolarHBondContact CB-OG 3.31Å; L361-S363 PolarHBondContact O-N 3.18Å; L361-G364 WeakPolarHBondContact O-CA 3.44Å; L361-G364 PolarHBondContact O-N 3.41Å; L361-A365 HydrophobicContact CB-CB 4.48Å; L361-A365 WeakPolarHBondContact CB-O 3.42Å; L361-A365 HydrophobicContact CD1-CB 3.98Å; L361-A365 PolarHBondContact N-O 2.98Å; L361-V367 HydrophobicContact CD1-CG2 3.61Å; L361-V367 HydrophobicContact CG-CG2 4.22Å
362P80.4Confident85.3Confident76 Ų7682.4 Ų82.449%0.49445%0.453SS..THydrogen-bonded Turntrans-59.1-19.8172.6-25.235.6000113.7K348 G364K348-P362 HydrophobicContact CB-CB 4.07Å; K348-P362 HydrophobicContact CB-CG 4.19Å; K348-P362 HydrophobicContact CG-CB 4.46Å; K348-P362 WeakPolarHBondContact O-CG 3.22Å; P362-G364 PolarHBondContact O-N 3.04Å
363S82.4Confident85.7Confident99 Ų9982 Ų8269%0.69246%0.456SS*.THydrogen-bonded Turntrans-75.4-1.7171.460.70000114L361 A365L361-S363 WeakPolarHBondContact CB-OG 3.31Å; L361-S363 PolarHBondContact O-N 3.18Å; S363-A365 PolarHBondContact O-N 3.33Å
364G80.1Confident86Confident64 Ų6489.5 Ų89.566%0.6648%0.48SS*.SBendtrans78.6-0.2-174.600000114.5L361 P362L361-G364 WeakPolarHBondContact O-CA 3.44Å; L361-G364 PolarHBondContact O-N 3.41Å; P362-G364 PolarHBondContact O-N 3.04Å
365A87.6Confident86.4Confident47 Ų4790.5 Ų90.539%0.38848%0.475SS..  trans-76.9136.5177.300000111.4L361 S363L361-A365 HydrophobicContact CB-CB 4.48Å; L361-A365 WeakPolarHBondContact CB-O 3.42Å; L361-A365 HydrophobicContact CD1-CB 3.98Å; L361-A365 PolarHBondContact N-O 2.98Å; S363-A365 PolarHBondContact O-N 3.33Å
366K88.6Confident86.8Confident145 Ų14586.9 Ų86.963%0.6345%0.454SS*.EExtended strand (participates in β ladder)trans-98.4125.3176.3-60-166.2166.3-159.50111.3E358 L359 T360E358-K366 IonicContact OE2-NZ 2.91Å; E358-K366 PolarHBondContact OE2-NZ 3.01Å; L359-K366 CarbonylContact O-C 3.57Å; L359-K366 WeakPolarHBondContact O-CA 3.41Å; T360-K366 HydrophobicContact CG2-CG 4.21Å
367V90.2Very high87.2Confident74 Ų7493.6 Ų93.645%0.44847%0.473SS..EExtended strand (participates in β ladder)trans-109.5113.9177.6-176.30000109L359 L361L359-V367 HydrophobicContact CB-CB 4.31Å; L359-V367 PolarHBondContact N-O 3.07Å; L359-V367 PolarHBondContact O-N 2.94Å; L361-V367 HydrophobicContact CD1-CG2 3.61Å; L361-V367 HydrophobicContact CG-CG2 4.22Å
368G90.5Very high87.5Confident35 Ų3594.3 Ų94.336%0.36148%0.475SS..EExtended strand (participates in β ladder)trans-85.3153.8-179.300000114.1Y376G368-Y376 VanDerWaalsContact CA-OH 3.26Å; G368-Y376 WeakPolarHBondContact CA-OH 3.48Å
369H90.8Very high87.2Confident69 Ų69103.3 Ų103.332%0.31951%0.507SS..  trans-72.4145.1179.4-172.7-101.5000113.5M357 S371 L372M357-H369 HydrophobicContact CB-CB 3.76Å; M357-H369 WeakPolarHBondContact O-CB 3.38Å; M357-H369 PolarHBondContact O-N 3.47Å; H369-S371 WeakPolarHBondContact ND1-CB 3.32Å; H369-S371 PolarHBondContact ND1-N 2.88Å; H369-S371 PolarHBondContact ND1-OG 3.48Å; H369-S371 PolarHBondContact O-N 3.3Å; H369-S371 VanDerWaalsContact O-N 3.11Å; H369-L372 PolarHBondContact O-N 3.05Å
370R90Very high86.5Confident196 Ų196108.7 Ų108.774%0.7453%0.529SS*.G310 helixtrans-58.8-28-175.674.4-175.3101.1-140.65.4114.2L372 M373R370-L372 PolarHBondContact O-N 3.31Å; R370-M373 HydrophobicContact CB-CE 4.47Å; R370-M373 WeakPolarHBondContact O-CB 3.31Å; R370-M373 VanDerWaalsContact O-CG 3.31Å; R370-M373 WeakPolarHBondContact O-CG 3.42Å; R370-M373 PolarHBondContact O-N 3.02Å
371S90.3Very high85.5Confident68 Ų68110 Ų11048%0.47655%0.548SS..G310 helixtrans-64.3-28.6177.961.60000112.4H369H369-S371 WeakPolarHBondContact ND1-CB 3.32Å; H369-S371 PolarHBondContact ND1-N 2.88Å; H369-S371 PolarHBondContact ND1-OG 3.48Å; H369-S371 PolarHBondContact O-N 3.3Å; H369-S371 VanDerWaalsContact O-N 3.11Å
372L89.5Confident84.4Confident43 Ų43113.7 Ų113.723%0.22557%0.574CS.*G310 helixtrans-91.54.8-176.6-60.1175.2000112.9M357 H369 R370 R374 Y375 Y376M357-L372 HydrophobicContact CB-CD1 4.31Å; H369-L372 PolarHBondContact O-N 3.05Å; R370-L372 PolarHBondContact O-N 3.31Å; L372-R374 PolarHBondContact O-N 3.09Å; L372-Y375 HydrophobicContact CB-CD2 4.14Å; L372-Y375 HydrophobicContact CD2-CD2 3.61Å; L372-Y375 HydrophobicContact CD2-CE2 3.75Å; L372-Y375 HydrophobicContact CG-CD2 4.5Å; L372-Y375 WeakPolarHBondContact O-CA 3.42Å; L372-Y375 WeakPolarHBondContact O-CB 3.41Å; L372-Y375 PolarHBondContact O-N 3.05Å; L372-Y376 HydrophobicContact CB-CD2 4.13Å; L372-Y376 HydrophobicContact CB-CE1 4.25Å; L372-Y376 HydrophobicContact CB-CE2 3.5Å; L372-Y376 WeakPolarHBondContact CD1-OH 3.28Å; L372-Y376 WeakPolarHBondContact O-CD2 3.47Å; L372-Y376 PolarHBondContact O-N 3.17Å
373M87.4Confident83.1Confident103 Ų103119.1 Ų119.151%0.50759%0.593SS.*Hα-helixtrans-52.7-32.8179.3-84.1-172.1173.100114R370 Y375 R377R370-M373 HydrophobicContact CB-CE 4.47Å; R370-M373 WeakPolarHBondContact O-CB 3.31Å; R370-M373 VanDerWaalsContact O-CG 3.31Å; R370-M373 WeakPolarHBondContact O-CG 3.42Å; R370-M373 PolarHBondContact O-N 3.02Å; M373-Y375 VanDerWaalsContact C-N 3.3Å; M373-Y375 PolarHBondContact O-N 2.87Å; M373-R377 WeakPolarHBondContact O-CB 3.35Å; M373-R377 VanDerWaalsContact O-CG 3.28Å; M373-R377 WeakPolarHBondContact O-CG 3.46Å; M373-R377 PolarHBondContact O-N 3.43Å
374R88.8Confident81.9Confident218 Ų218125.5 Ų125.582%0.82360%0.601SS**Hα-helixtrans-62.3-40.1176.3-69.9-176179.1-1720.7111.6L372 Q378L372-R374 PolarHBondContact O-N 3.09Å; R374-Q378 PolarHBondContact O-N 3.21Å
375Y86.9Confident80.7Confident150 Ų150126.3 Ų126.359%0.58860%0.602SS**Hα-helixtrans-77.2-40.8179.1-51.4-66.1000111.3L372 M373 R377 Q378L372-Y375 HydrophobicContact CB-CD2 4.14Å; L372-Y375 HydrophobicContact CD2-CD2 3.61Å; L372-Y375 HydrophobicContact CD2-CE2 3.75Å; L372-Y375 HydrophobicContact CG-CD2 4.5Å; L372-Y375 WeakPolarHBondContact O-CA 3.42Å; L372-Y375 WeakPolarHBondContact O-CB 3.41Å; L372-Y375 PolarHBondContact O-N 3.05Å; M373-Y375 VanDerWaalsContact C-N 3.3Å; M373-Y375 PolarHBondContact O-N 2.87Å; Y375-R377 PolarHBondContact O-N 3.38Å; Y375-Q378 WeakPolarHBondContact O-CB 3.18Å; Y375-Q378 PolarHBondContact O-N 3.14Å
376Y88Confident79Confident107 Ų107130.4 Ų130.442%0.4262%0.622SS.*Hα-helixtrans-64.2-30176.2-57.9-38.2000113.2G368 L372 Q378G368-Y376 VanDerWaalsContact CA-OH 3.26Å; G368-Y376 WeakPolarHBondContact CA-OH 3.48Å; L372-Y376 HydrophobicContact CB-CD2 4.13Å; L372-Y376 HydrophobicContact CB-CE1 4.25Å; L372-Y376 HydrophobicContact CB-CE2 3.5Å; L372-Y376 WeakPolarHBondContact CD1-OH 3.28Å; L372-Y376 WeakPolarHBondContact O-CD2 3.47Å; L372-Y376 PolarHBondContact O-N 3.17Å; Y376-Q378 VanDerWaalsContact C-N 3.32Å
377R88Confident77.4Confident200 Ų200129.3 Ų129.376%0.75563%0.627SS**THydrogen-bonded Turntrans-81.8-11.2172.8-70179.7175.9-166.4-0.4113.2M373 Y375 R379M373-R377 WeakPolarHBondContact O-CB 3.35Å; M373-R377 VanDerWaalsContact O-CG 3.28Å; M373-R377 WeakPolarHBondContact O-CG 3.46Å; M373-R377 PolarHBondContact O-N 3.43Å; Y375-R377 PolarHBondContact O-N 3.38Å; R377-R379 PolarHBondContact O-N 3.21Å; R377-R379 VanDerWaalsContact O-N 3.09Å
378Q88.8Confident75.4Confident92 Ų92130.8 Ų130.843%0.4364%0.638SS.*  trans-74.2103-178.9-168.61699.200109.7R374 Y375 Y376 F380R374-Q378 PolarHBondContact O-N 3.21Å; Y375-Q378 WeakPolarHBondContact O-CB 3.18Å; Y375-Q378 PolarHBondContact O-N 3.14Å; Y376-Q378 VanDerWaalsContact C-N 3.32Å; Q378-F380 HydrophobicContact CB-CE2 4.31Å; Q378-F380 VanDerWaalsContact CD-CE1 3.46Å; Q378-F380 HydrophobicContact CG-CD1 4.33Å; Q378-F380 HydrophobicContact CG-CD2 4.21Å; Q378-F380 HydrophobicContact CG-CE1 3.97Å; Q378-F380 HydrophobicContact CG-CE2 3.81Å; Q378-F380 HydrophobicContact CG-CG 4.47Å; Q378-F380 HydrophobicContact CG-CZ 3.7Å; Q378-F380 PolarHBondContact O-N 3.06Å; Q378-F380 VanDerWaalsContact OE1-CZ 3.29Å
379R81.4Confident73.6Confident239 Ų239132.5 Ų132.590%0.90266%0.656SS**  trans-83.895.6169.2-66.5-178.8171.7-147-3108.3R377 G381R377-R379 PolarHBondContact O-N 3.21Å; R377-R379 VanDerWaalsContact O-N 3.09Å; R379-G381 PolarHBondContact O-N 3.24Å
380F73.9Confident72Confident163 Ų163141 Ų14172%0.71569%0.685SS**  trans-67.1105.1160.9-59.3-77.7000106.6Q378Q378-F380 HydrophobicContact CB-CE2 4.31Å; Q378-F380 VanDerWaalsContact CD-CE1 3.46Å; Q378-F380 HydrophobicContact CG-CD1 4.33Å; Q378-F380 HydrophobicContact CG-CD2 4.21Å; Q378-F380 HydrophobicContact CG-CE1 3.97Å; Q378-F380 HydrophobicContact CG-CE2 3.81Å; Q378-F380 HydrophobicContact CG-CG 4.47Å; Q378-F380 HydrophobicContact CG-CZ 3.7Å; Q378-F380 PolarHBondContact O-N 3.06Å; Q378-F380 VanDerWaalsContact OE1-CZ 3.29Å
381G66.1Low70.3Confident61 Ų61135.3 Ų135.363%0.62968%0.675SS**  trans-52.2145.8170.200000109.3R379 Q383R379-G381 PolarHBondContact O-N 3.24Å; G381-Q383 PolarHBondContact O-N 3.08Å; G381-Q383 VanDerWaalsContact O-N 3.08Å
382T62.4Low68.8Low138 Ų138135 Ų13585%0.84768%0.682SS**SBendtrans-32.2118.9174.546.90000109.5R384T382-R384 PolarHBondContact O-N 2.82Å
383Q54.1Low67.4Low190 Ų190139 Ų13989%0.88870%0.704SS**  trans-39.5101.9-166.6-69.1-144.7-11.200110.6G381 A385G381-Q383 PolarHBondContact O-N 3.08Å; G381-Q383 VanDerWaalsContact O-N 3.08Å; Q383-A385 PolarHBondContact O-N 2.74Å
384R55.5Low66.1Low233 Ų233136.2 Ų136.288%0.87970%0.697SS**  trans-65.797.3163.5-96.9-179.9164173.7-3.7102.7T382 V386T382-R384 PolarHBondContact O-N 2.82Å; R384-V386 VanDerWaalsContact C-N 3.35Å; R384-V386 PolarHBondContact O-N 2.85Å
385A55.1Low64.7Low81 Ų81130.6 Ų130.667%0.66969%0.687SS**  trans-44.8111.2164.100000105.3Q383 V387Q383-A385 PolarHBondContact O-N 2.74Å; A385-V387 PolarHBondContact O-N 2.71Å
386V52.8Low63.5Low134 Ų134124.7 Ų124.781%0.81267%0.672SS**  trans-67.586.1177.3-179.50000104.3R384 P388R384-V386 VanDerWaalsContact C-N 3.35Å; R384-V386 PolarHBondContact O-N 2.85Å; V386-P388 WeakPolarHBondContact O-CD 3.19Å; V386-P388 VanDerWaalsContact O-N 3.08Å
387V54.2Low62.4Low122 Ų122127.8 Ų127.874%0.73968%0.683SS**  trans-58115162.9179.30000103.1A385 G389A385-V387 PolarHBondContact O-N 2.71Å; V387-G389 PolarHBondContact O-N 3.46Å
388P49.5Very low61.3Low105 Ų105121.5 Ų121.568%0.68267%0.666SS**  trans-58.1112177.6-16.128.2000105.5V386 R390V386-P388 WeakPolarHBondContact O-CD 3.19Å; V386-P388 VanDerWaalsContact O-N 3.08Å; P388-R390 PolarHBondContact O-N 2.84Å
389G51.3Low59.9Low70 Ų70122.6 Ų122.672%0.72268%0.675SS**  trans-55.2109.8173.100000105.9V387 S391V387-G389 PolarHBondContact O-N 3.46Å; G389-S391 VanDerWaalsContact C-N 3.35Å; G389-S391 PolarHBondContact O-N 3.41Å
390R57.4Low59Low247 Ų247120 Ų12093%0.93267%0.665SS**  trans-56.6103.9-178.5-77.1-179.3171.2-163.3-2.1107.1P388 G392P388-R390 PolarHBondContact O-N 2.84Å; R390-G392 PolarHBondContact O-N 3.24Å
391S55.5Low58.4Low78 Ų78117.9 Ų117.955%0.54566%0.657SS.*  trans-68.778.8174.3173.90000108.2G389 N393 A394G389-S391 VanDerWaalsContact C-N 3.35Å; G389-S391 PolarHBondContact O-N 3.41Å; S391-N393 PolarHBondContact O-N 2.86Å; S391-A394 PolarHBondContact O-N 3.35Å; S391-A394 VanDerWaalsContact OG-CB 3.23Å; S391-A394 WeakPolarHBondContact OG-CB 3.45Å; S391-A394 PolarHBondContact OG-N 2.78Å
392G59Low57.9Low60 Ų60120.7 Ų120.762%0.61965%0.65SS**Hα-helixtrans-60.1-15.2177.700000112.9R390R390-G392 PolarHBondContact O-N 3.24Å
393N59.2Low57.7Low128 Ų128122.3 Ų122.368%0.68465%0.645SS**Hα-helixtrans-100.5-11.4-173.8-62.4-11.3000113.7S391 R397S391-N393 PolarHBondContact O-N 2.86Å; N393-R397 PolarHBondContact O-N 3.42Å
394A60Low58Low44 Ų44117.5 Ų117.536%0.36464%0.638SS.*Hα-helixtrans-72.4-46.2176.300000111.3S391 G396 R397 V398S391-A394 PolarHBondContact O-N 3.35Å; S391-A394 VanDerWaalsContact OG-CB 3.23Å; S391-A394 WeakPolarHBondContact OG-CB 3.45Å; S391-A394 PolarHBondContact OG-N 2.78Å; A394-G396 VanDerWaalsContact C-N 3.32Å; A394-G396 PolarHBondContact O-N 2.78Å; A394-R397 PolarHBondContact O-N 3.2Å; A394-R397 VanDerWaalsContact O-N 3.09Å; A394-V398 WeakPolarHBondContact O-CG2 3.28Å; A394-V398 PolarHBondContact O-N 3.37Å
395V60.4Low58.4Low101 Ų101113 Ų11361%0.61263%0.63SS**Hα-helixtrans-61.4-42179.2-177.90000110.8R397 V398 L399V395-R397 VanDerWaalsContact C-N 3.26Å; V395-R397 PolarHBondContact O-N 3.04Å; V395-V398 PolarHBondContact O-N 2.68Å; V395-L399 WeakPolarHBondContact O-CB 3.27Å; V395-L399 PolarHBondContact O-N 2.84Å
396G61Low58.3Low26 Ų26112.1 Ų112.127%0.26863%0.63SS.*Hα-helixtrans-69.5-18177.700000115A394 R400A394-G396 VanDerWaalsContact C-N 3.32Å; A394-G396 PolarHBondContact O-N 2.78Å; G396-R400 PolarHBondContact O-NE 2.9Å
397R64.9Low58.5Low172 Ų172114.3 Ų114.365%0.64962%0.624SS**Hα-helixtrans-84.1-43.9174.9-155.5-177.3-59.4-178.60110.4N393 A394 V395 R400 Q401N393-R397 PolarHBondContact O-N 3.42Å; A394-R397 PolarHBondContact O-N 3.2Å; A394-R397 VanDerWaalsContact O-N 3.09Å; V395-R397 VanDerWaalsContact C-N 3.26Å; V395-R397 PolarHBondContact O-N 3.04Å; R397-R400 PolarHBondContact O-N 3.31Å; R397-Q401 PolarHBondContact O-N 3.5Å; R397-Q401 VanDerWaalsContact O-N 3.1Å
398V64.6Low58.3Low67 Ų67112.5 Ų112.541%0.40662%0.621SS.*Hα-helixtrans-61.6-45.6173.7174.90000110.5A394 V395 R400 Q401 Y402A394-V398 WeakPolarHBondContact O-CG2 3.28Å; A394-V398 PolarHBondContact O-N 3.37Å; V395-V398 PolarHBondContact O-N 2.68Å; V398-R400 VanDerWaalsContact C-N 3.31Å; V398-R400 PolarHBondContact O-N 3.01Å; V398-Q401 WeakPolarHBondContact O-CB 3.36Å; V398-Q401 PolarHBondContact O-N 3.34Å; V398-Q401 VanDerWaalsContact O-N 3.15Å; V398-Y402 HydrophobicContact CG1-CD2 3.61Å; V398-Y402 HydrophobicContact CG1-CE2 3.37Å; V398-Y402 WeakPolarHBondContact O-CD2 3.42Å; V398-Y402 PolarHBondContact O-N 3.3Å
399L59Low58.5Low116 Ų116110.1 Ų110.161%0.60762%0.616SS**Hα-helixtrans-63.7-33.3178.3-132.875.6000113.2V395 K403V395-L399 WeakPolarHBondContact O-CB 3.27Å; V395-L399 PolarHBondContact O-N 2.84Å; L399-K403 WeakPolarHBondContact O-CB 3.23Å; L399-K403 PolarHBondContact O-N 3.44Å
400R62Low58.5Low184 Ų184112.4 Ų112.469%0.69461%0.611SS**Hα-helixtrans-70-37.2174.8-88.4-178.5-89.8-144.1-1.3112G396 R397 V398 K403 A404G396-R400 PolarHBondContact O-NE 2.9Å; R397-R400 PolarHBondContact O-N 3.31Å; V398-R400 VanDerWaalsContact C-N 3.31Å; V398-R400 PolarHBondContact O-N 3.01Å; R400-K403 PolarHBondContact O-N 3.48Å; R400-A404 WeakPolarHBondContact O-CB 3.37Å; R400-A404 PolarHBondContact O-N 3.43Å
401Q62.5Low58.3Low119 Ų119105.6 Ų105.656%0.55661%0.608SS**Hα-helixtrans-65.8-44.5173.2-76.2173.3-46.900111.6R397 V398 K403 A404 L405R397-Q401 PolarHBondContact O-N 3.5Å; R397-Q401 VanDerWaalsContact O-N 3.1Å; V398-Q401 WeakPolarHBondContact O-CB 3.36Å; V398-Q401 PolarHBondContact O-N 3.34Å; V398-Q401 VanDerWaalsContact O-N 3.15Å; Q401-K403 VanDerWaalsContact C-N 3.33Å; Q401-K403 PolarHBondContact O-N 3.15Å; Q401-A404 PolarHBondContact O-N 3.48Å; Q401-L405 WeakPolarHBondContact O-CB 3.42Å; Q401-L405 WeakPolarHBondContact O-CD1 3.46Å; Q401-L405 VanDerWaalsContact O-CG 3.27Å; Q401-L405 WeakPolarHBondContact O-CG 3.37Å; Q401-L405 PolarHBondContact O-N 3.11Å
402Y55.8Low58Low120 Ų120103.4 Ų103.447%0.47160%0.598SS.*Hα-helixtrans-63.5-36.3175.1-79.2-72.8000113V398 L405 W407V398-Y402 HydrophobicContact CG1-CD2 3.61Å; V398-Y402 HydrophobicContact CG1-CE2 3.37Å; V398-Y402 WeakPolarHBondContact O-CD2 3.42Å; V398-Y402 PolarHBondContact O-N 3.3Å; Y402-L405 PolarHBondContact O-N 3.21Å; Y402-W407 AromaticContact CD1-CE3 3.85Å; Y402-W407 HydrophobicContact CD1-CE3 3.85Å; Y402-W407 HydrophobicContact CD1-CZ3 4.35Å; Y402-W407 HydrophobicContact CE1-CE3 4.23Å; Y402-W407 HydrophobicContact CE1-CZ3 4.27Å; Y402-W407 VanDerWaalsContact O-CB 3.23Å; Y402-W407 WeakPolarHBondContact O-CB 3.35Å; Y402-W407 PolarHBondContact O-N 3.09Å; Y402-W407 VanDerWaalsContact O-N 3.15Å
403K58.7Low57.9Low171 Ų171103.5 Ų103.574%0.74360%0.598SS**Hα-helixtrans-70.4-34.5176.4-154171.9-169.8178.30112.7L399 R400 Q401 L405 G406L399-K403 WeakPolarHBondContact O-CB 3.23Å; L399-K403 PolarHBondContact O-N 3.44Å; R400-K403 PolarHBondContact O-N 3.48Å; Q401-K403 VanDerWaalsContact C-N 3.33Å; Q401-K403 PolarHBondContact O-N 3.15Å; K403-L405 VanDerWaalsContact C-N 3.32Å; K403-G406 PolarHBondContact O-N 3.03Å
404A59.7Low57.8Low89 Ų89100.3 Ų100.374%0.73659%0.586SS**Hα-helixtrans-71.2-27.2173.800000112.7R400 Q401 G406R400-A404 WeakPolarHBondContact O-CB 3.37Å; R400-A404 PolarHBondContact O-N 3.43Å; Q401-A404 PolarHBondContact O-N 3.48Å; A404-G406 PolarHBondContact O-N 3.39Å
405L64.6Low57.8Low138 Ų138102.2 Ų102.272%0.72359%0.593SS**THydrogen-bonded Turntrans-80.412.5174.2-70.7161.3000113.3Q401 Y402 K403 W407Q401-L405 WeakPolarHBondContact O-CB 3.42Å; Q401-L405 WeakPolarHBondContact O-CD1 3.46Å; Q401-L405 VanDerWaalsContact O-CG 3.27Å; Q401-L405 WeakPolarHBondContact O-CG 3.37Å; Q401-L405 PolarHBondContact O-N 3.11Å; Y402-L405 PolarHBondContact O-N 3.21Å; K403-L405 VanDerWaalsContact C-N 3.32Å; L405-W407 VanDerWaalsContact C-N 3.31Å; L405-W407 PolarHBondContact O-N 3.45Å
406G53.2Low58.1Low64 Ų64103.8 Ų103.866%0.6659%0.594SS**THydrogen-bonded Turntrans78.6917600000114.9K403 A404 A408K403-G406 PolarHBondContact O-N 3.03Å; A404-G406 PolarHBondContact O-N 3.39Å; G406-A408 VanDerWaalsContact C-N 3.27Å; G406-A408 PolarHBondContact O-N 3.31Å
407W55.3Low58.5Low180 Ų180108.4 Ų108.468%0.68261%0.608SS**  trans-76.879.8174.6-152.1-43.5000110.2Y402 L405 G409Y402-W407 AromaticContact CD1-CE3 3.85Å; Y402-W407 HydrophobicContact CD1-CE3 3.85Å; Y402-W407 HydrophobicContact CD1-CZ3 4.35Å; Y402-W407 HydrophobicContact CE1-CE3 4.23Å; Y402-W407 HydrophobicContact CE1-CZ3 4.27Å; Y402-W407 VanDerWaalsContact O-CB 3.23Å; Y402-W407 WeakPolarHBondContact O-CB 3.35Å; Y402-W407 PolarHBondContact O-N 3.09Å; Y402-W407 VanDerWaalsContact O-N 3.15Å; L405-W407 VanDerWaalsContact C-N 3.31Å; L405-W407 PolarHBondContact O-N 3.45Å; W407-G409 VanDerWaalsContact C-N 3.29Å; W407-G409 PolarHBondContact O-N 3.37Å; W407-G409 VanDerWaalsContact O-N 3.11Å
408A51.7Low58.8Low83 Ų83108.8 Ų108.869%0.68661%0.61SS**  trans-77.584.916300000107.7G406 D410G406-A408 VanDerWaalsContact C-N 3.27Å; G406-A408 PolarHBondContact O-N 3.31Å; A408-D410 PolarHBondContact O-N 3.3Å; A408-D410 VanDerWaalsContact O-N 3.11Å
409G53.3Low59.4Low55 Ų55111.1 Ų111.157%0.56762%0.616SS**  trans-54.8120171.900000109.4W407 A411W407-G409 VanDerWaalsContact C-N 3.29Å; W407-G409 PolarHBondContact O-N 3.37Å; W407-G409 VanDerWaalsContact O-N 3.11Å; G409-A411 PolarHBondContact O-N 2.97Å; G409-A411 VanDerWaalsContact O-N 3.12Å
410D50.3Low60.4Low119 Ų119113.9 Ų113.964%0.63662%0.619SS**  trans14.679.8173.5-165.932.8000114.5A408 G412 S414A408-D410 PolarHBondContact O-N 3.3Å; A408-D410 VanDerWaalsContact O-N 3.11Å; D410-G412 PolarHBondContact O-N 2.77Å; D410-S414 PolarHBondContact OD2-OG 3.29Å
411A53.2Low61.4Low104 Ų104109.3 Ų109.386%0.8661%0.608SS**  trans-77.163.5171.200000109.7G409G409-A411 PolarHBondContact O-N 2.97Å; G409-A411 VanDerWaalsContact O-N 3.12Å
412G50.4Low62.2Low32 Ų32108.2 Ų108.233%0.3360%0.604SS.*SBendtrans-120.6154.9170.400000110.2D410 S414 V415D410-G412 PolarHBondContact O-N 2.77Å; G412-S414 PolarHBondContact O-N 3.35Å; G412-S414 PolarHBondContact O-OG 2.97Å; G412-V415 PolarHBondContact O-N 3.48Å
413G55.6Low63.7Low61 Ų61107.1 Ų107.163%0.62960%0.603SS**THydrogen-bonded Turntrans-53.8-3.4-176.400000117.1V415 Q416 Q417G413-V415 VanDerWaalsContact C-N 3.29Å; G413-V415 PolarHBondContact O-N 2.82Å; G413-Q416 PolarHBondContact O-N 3.31Å; G413-Q417 PolarHBondContact O-N 3.47Å
414S58.7Low65.1Low62 Ų62105.7 Ų105.743%0.43459%0.594SS.*Hα-helixtrans-59.4-32.3173.366.20000113.3D410 G412 R418D410-S414 PolarHBondContact OD2-OG 3.29Å; G412-S414 PolarHBondContact O-N 3.35Å; G412-S414 PolarHBondContact O-OG 2.97Å; S414-R418 WeakPolarHBondContact O-CB 3.45Å; S414-R418 PolarHBondContact O-N 3.32Å
415V59.7Low66.5Low84 Ų84105.5 Ų105.551%0.50958%0.584SS.*Hα-helixtrans-69.6-42.4-179.4178.80000111.7G412 G413 Q419G412-V415 PolarHBondContact O-N 3.48Å; G413-V415 VanDerWaalsContact C-N 3.29Å; G413-V415 PolarHBondContact O-N 2.82Å; V415-Q419 VanDerWaalsContact O-CB 3.31Å; V415-Q419 WeakPolarHBondContact O-CB 3.36Å; V415-Q419 PolarHBondContact O-N 3.45Å
416Q66.4Low67.6Low133 Ų133104.9 Ų104.962%0.62158%0.577SS**Hα-helixtrans-70.6-39178.6-77.9176.1-11.600111.8G413 Q419 R420G413-Q416 PolarHBondContact O-N 3.31Å; Q416-Q419 PolarHBondContact O-N 2.94Å; Q416-R420 WeakPolarHBondContact O-CG 3.48Å; Q416-R420 PolarHBondContact O-N 2.89Å
417Q69.6Low69.4Low123 Ų123109.3 Ų109.358%0.57557%0.574SS**Hα-helixtrans-60.1-52.3173-165.197.26.600110.4G413 Q419 R420 D421G413-Q417 PolarHBondContact O-N 3.47Å; Q417-Q419 VanDerWaalsContact C-N 3.25Å; Q417-Q419 PolarHBondContact O-N 3.46Å; Q417-R420 PolarHBondContact O-N 2.82Å; Q417-R420 VanDerWaalsContact O-N 3.09Å; Q417-D421 VanDerWaalsContact O-CG 3.27Å; Q417-D421 PolarHBondContact O-N 3.45Å
418R71.3Confident71.2Confident181 Ų181104.5 Ų104.568%0.68356%0.56SS**Hα-helixtrans-60.6-34.8179.3-168.9175.7-174.3-179.32.4112.3S414 M422S414-R418 WeakPolarHBondContact O-CB 3.45Å; S414-R418 PolarHBondContact O-N 3.32Å; R418-M422 VanDerWaalsContact O-CB 3.25Å; R418-M422 WeakPolarHBondContact O-CB 3.29Å; R418-M422 PolarHBondContact O-N 2.85Å
419Q75.6Confident73Confident116 Ų116106.7 Ų106.754%0.54255%0.554SS.*Hα-helixtrans-69.9-40.6176.5-165.9167.518.600112.1V415 Q416 Q417 M422 Q423V415-Q419 VanDerWaalsContact O-CB 3.31Å; V415-Q419 WeakPolarHBondContact O-CB 3.36Å; V415-Q419 PolarHBondContact O-N 3.45Å; Q416-Q419 PolarHBondContact O-N 2.94Å; Q417-Q419 VanDerWaalsContact C-N 3.25Å; Q417-Q419 PolarHBondContact O-N 3.46Å; Q419-M422 PolarHBondContact O-N 3.32Å; Q419-Q423 VanDerWaalsContact O-CG 3.3Å; Q419-Q423 WeakPolarHBondContact O-CG 3.46Å; Q419-Q423 PolarHBondContact O-N 3.15Å
420R80.7Confident74.5Confident174 Ų174107 Ų10766%0.65755%0.547SS*.Hα-helixtrans-64.7-43.3173.2-72.5176.5179.6-179.91.2111.6Q416 Q417 M422 Q423 Y424Q416-R420 WeakPolarHBondContact O-CG 3.48Å; Q416-R420 PolarHBondContact O-N 2.89Å; Q417-R420 PolarHBondContact O-N 2.82Å; Q417-R420 VanDerWaalsContact O-N 3.09Å; R420-M422 VanDerWaalsContact C-N 3.35Å; R420-M422 PolarHBondContact O-N 2.96Å; R420-Q423 PolarHBondContact O-N 3.02Å; R420-Y424 PolarHBondContact O-N 3.28Å
421D83.1Confident76.6Confident88 Ų88109.3 Ų109.347%0.47155%0.547SS..Hα-helixtrans-63.6-42.2177-65.9-18.3000111Q417 Q423 Y424 V425Q417-D421 VanDerWaalsContact O-CG 3.27Å; Q417-D421 PolarHBondContact O-N 3.45Å; D421-Q423 VanDerWaalsContact C-N 3.34Å; D421-Q423 PolarHBondContact O-N 3.4Å; D421-Y424 PolarHBondContact O-N 2.88Å; D421-V425 WeakPolarHBondContact O-CB 3.47Å; D421-V425 VanDerWaalsContact O-CG2 3.28Å; D421-V425 WeakPolarHBondContact O-CG2 3.27Å; D421-V425 PolarHBondContact O-N 2.92Å
422M80.3Confident78.4Confident95 Ų95111.8 Ų111.847%0.46853%0.534SS..Hα-helixtrans-63.1-40.5176-15775.570.300111.7R418 Q419 R420 V425 Q426R418-M422 VanDerWaalsContact O-CB 3.25Å; R418-M422 WeakPolarHBondContact O-CB 3.29Å; R418-M422 PolarHBondContact O-N 2.85Å; Q419-M422 PolarHBondContact O-N 3.32Å; R420-M422 VanDerWaalsContact C-N 3.35Å; R420-M422 PolarHBondContact O-N 2.96Å; M422-V425 PolarHBondContact O-N 3.41Å; M422-Q426 WeakPolarHBondContact O-CB 3.45Å; M422-Q426 VanDerWaalsContact O-CG 3.22Å; M422-Q426 WeakPolarHBondContact O-CG 3.37Å; M422-Q426 PolarHBondContact O-N 2.86Å
423Q85.8Confident80.3Confident98 Ų98115 Ų11546%0.45854%0.542SS..Hα-helixtrans-65.8-39.6175.3-74.81779.700111.9Q419 R420 D421 Q426 R427Q419-Q423 VanDerWaalsContact O-CG 3.3Å; Q419-Q423 WeakPolarHBondContact O-CG 3.46Å; Q419-Q423 PolarHBondContact O-N 3.15Å; R420-Q423 PolarHBondContact O-N 3.02Å; D421-Q423 VanDerWaalsContact C-N 3.34Å; D421-Q423 PolarHBondContact O-N 3.4Å; Q423-Q426 PolarHBondContact O-N 3.47Å; Q423-R427 WeakPolarHBondContact O-CB 3.34Å; Q423-R427 PolarHBondContact O-N 2.85Å
424Y89.2Confident82Confident140 Ų140117.7 Ų117.755%0.54954%0.541SS..Hα-helixtrans-63.6-47.1174.8180-92.8000111.5R420 D421 Q426 R427 M428R420-Y424 PolarHBondContact O-N 3.28Å; D421-Y424 PolarHBondContact O-N 2.88Å; Y424-Q426 VanDerWaalsContact C-N 3.35Å; Y424-Q426 PolarHBondContact O-N 2.92Å; Y424-R427 PolarHBondContact O-N 3.44Å; Y424-M428 HydrophobicContact CD1-CG 4.24Å; Y424-M428 HydrophobicContact CE1-CE 4.27Å; Y424-M428 HydrophobicContact CE1-CG 3.82Å; Y424-M428 HydrophobicContact CE2-CE 3.73Å; Y424-M428 HydrophobicContact CE2-CG 4.45Å; Y424-M428 VanDerWaalsContact CZ-CE 3.46Å; Y424-M428 PolarHBondContact O-N 3.33Å; Y424-M428 WeakPolarHBondContact OH-CE 3.18Å
425V89.3Confident83.7Confident86 Ų86122.3 Ų122.352%0.52155%0.553SS.*Hα-helixtrans-60.1-44.2176.3170.20000111D421 M422 R427 M428 K429D421-V425 WeakPolarHBondContact O-CB 3.47Å; D421-V425 VanDerWaalsContact O-CG2 3.28Å; D421-V425 WeakPolarHBondContact O-CG2 3.27Å; D421-V425 PolarHBondContact O-N 2.92Å; M422-V425 PolarHBondContact O-N 3.41Å; V425-R427 VanDerWaalsContact C-N 3.34Å; V425-R427 PolarHBondContact O-N 3.1Å; V425-M428 PolarHBondContact O-N 3.36Å; V425-K429 VanDerWaalsContact O-CB 3.25Å; V425-K429 WeakPolarHBondContact O-CB 3.49Å; V425-K429 PolarHBondContact O-N 3.46Å
426Q86.1Confident85.2Confident124 Ų124121.7 Ų121.758%0.57955%0.546SS*.Hα-helixtrans-62-41.8176.4-76.3174.4-0.600112M422 Q423 Y424 K429 S430M422-Q426 WeakPolarHBondContact O-CB 3.45Å; M422-Q426 VanDerWaalsContact O-CG 3.22Å; M422-Q426 WeakPolarHBondContact O-CG 3.37Å; M422-Q426 PolarHBondContact O-N 2.86Å; Q423-Q426 PolarHBondContact O-N 3.47Å; Y424-Q426 VanDerWaalsContact C-N 3.35Å; Y424-Q426 PolarHBondContact O-N 2.92Å; Q426-K429 PolarHBondContact O-N 3.42Å; Q426-S430 PolarHBondContact O-N 3.11Å; Q426-S430 PolarHBondContact O-OG 3.42Å
427R91.6Very high86.4Confident157 Ų157116.8 Ų116.859%0.59253%0.531SS*.Hα-helixtrans-67.1-39.8178-166.6-176.6-61173.91.5112.2Q423 Y424 V425 S430 R431Q423-R427 WeakPolarHBondContact O-CB 3.34Å; Q423-R427 PolarHBondContact O-N 2.85Å; Y424-R427 PolarHBondContact O-N 3.44Å; V425-R427 VanDerWaalsContact C-N 3.34Å; V425-R427 PolarHBondContact O-N 3.1Å; R427-S430 PolarHBondContact O-OG 3.08Å; R427-R431 WeakPolarHBondContact O-CB 3.37Å; R427-R431 WeakPolarHBondContact O-CG 3.27Å; R427-R431 PolarHBondContact O-N 3.01Å; R427-R431 VanDerWaalsContact O-N 3.08Å
428M92.6Very high87.4Confident79 Ų79116.8 Ų116.839%0.38953%0.533SS..Hα-helixtrans-69.1-40.3175.5-74.2-55.7-172.100111.6Y424 V425 R431 W432Y424-M428 HydrophobicContact CD1-CG 4.24Å; Y424-M428 HydrophobicContact CE1-CE 4.27Å; Y424-M428 HydrophobicContact CE1-CG 3.82Å; Y424-M428 HydrophobicContact CE2-CE 3.73Å; Y424-M428 HydrophobicContact CE2-CG 4.45Å; Y424-M428 VanDerWaalsContact CZ-CE 3.46Å; Y424-M428 PolarHBondContact O-N 3.33Å; Y424-M428 WeakPolarHBondContact OH-CE 3.18Å; V425-M428 PolarHBondContact O-N 3.36Å; M428-R431 PolarHBondContact O-N 3.37Å; M428-W432 VanDerWaalsContact O-CB 3.31Å; M428-W432 WeakPolarHBondContact O-CB 3.5Å; M428-W432 PolarHBondContact O-N 3.15Å
429K90.1Very high88.3Confident130 Ų130110.4 Ų110.457%0.56552%0.515SS*.Hα-helixtrans-62.7-45.1175.9-170-179.7178175.60111.7V425 Q426 W432 M433V425-K429 VanDerWaalsContact O-CB 3.25Å; V425-K429 WeakPolarHBondContact O-CB 3.49Å; V425-K429 PolarHBondContact O-N 3.46Å; Q426-K429 PolarHBondContact O-N 3.42Å; K429-W432 PolarHBondContact O-N 3.38Å; K429-M433 HydrophobicContact CG-CE 4.04Å; K429-M433 HydrophobicContact CG-SD 4.46Å; K429-M433 WeakPolarHBondContact O-CB 3.36Å; K429-M433 WeakPolarHBondContact O-CG 3.38Å; K429-M433 PolarHBondContact O-N 3.45Å
430S85.9Confident88.9Confident60 Ų60107.3 Ų107.342%0.4250%0.503SS..Hα-helixtrans-65.3-43.1178.265.80000112Q426 R427 W432 M433 L434Q426-S430 PolarHBondContact O-N 3.11Å; Q426-S430 PolarHBondContact O-OG 3.42Å; R427-S430 PolarHBondContact O-OG 3.08Å; S430-W432 PolarHBondContact O-N 3.28Å; S430-M433 PolarHBondContact O-N 3Å; S430-L434 WeakPolarHBondContact O-CB 3.35Å; S430-L434 PolarHBondContact O-N 3.49Å
431R93.6Very high89.1Confident168 Ų168103.8 Ų103.863%0.63450%0.497SS*.Hα-helixtrans-59.4-44.2173.3-81.6-179.9139.6-164.9-4.9112.3R427 M428 L434 K435R427-R431 WeakPolarHBondContact O-CB 3.37Å; R427-R431 WeakPolarHBondContact O-CG 3.27Å; R427-R431 PolarHBondContact O-N 3.01Å; R427-R431 VanDerWaalsContact O-N 3.08Å; M428-R431 PolarHBondContact O-N 3.37Å; R431-L434 PolarHBondContact O-N 2.89Å; R431-K435 WeakPolarHBondContact O-CB 3.38Å; R431-K435 PolarHBondContact O-N 3.46Å
432W91.4Very high89Confident157 Ų157104.9 Ų104.960%0.59551%0.507SS*.Hα-helixtrans-66.5-43.9178.8-176.588.5000111.9M428 K429 S430 L434 K435 M436M428-W432 VanDerWaalsContact O-CB 3.31Å; M428-W432 WeakPolarHBondContact O-CB 3.5Å; M428-W432 PolarHBondContact O-N 3.15Å; K429-W432 PolarHBondContact O-N 3.38Å; S430-W432 PolarHBondContact O-N 3.28Å; W432-L434 VanDerWaalsContact C-N 3.33Å; W432-L434 PolarHBondContact O-N 3.34Å; W432-K435 PolarHBondContact O-N 2.98Å; W432-M436 HydrophobicContact CH2-CE 3.83Å; W432-M436 HydrophobicContact CZ2-CE 3.21Å; W432-M436 VanDerWaalsContact O-CB 3.29Å; W432-M436 WeakPolarHBondContact O-CB 3.4Å; W432-M436 PolarHBondContact O-N 2.86Å
433M89.4Confident89.2Confident100 Ų100104 Ų10449%0.49351%0.507SS..Hα-helixtrans-61.8-41.1175.9-74.4-172.5-60.300112K429 S430 M436 G437K429-M433 HydrophobicContact CG-CE 4.04Å; K429-M433 HydrophobicContact CG-SD 4.46Å; K429-M433 WeakPolarHBondContact O-CB 3.36Å; K429-M433 WeakPolarHBondContact O-CG 3.38Å; K429-M433 PolarHBondContact O-N 3.45Å; S430-M433 PolarHBondContact O-N 3Å; M433-M436 PolarHBondContact O-N 2.88Å; M433-G437 PolarHBondContact O-N 3.44Å
434L92.4Very high89.1Confident116 Ų116107 Ų10761%0.60752%0.518SS*.Hα-helixtrans-65.7-46176.4-172.5132.2000111.2S430 R431 W432 M436 G437 M438S430-L434 WeakPolarHBondContact O-CB 3.35Å; S430-L434 PolarHBondContact O-N 3.49Å; R431-L434 PolarHBondContact O-N 2.89Å; W432-L434 VanDerWaalsContact C-N 3.33Å; W432-L434 PolarHBondContact O-N 3.34Å; L434-M436 VanDerWaalsContact C-N 3.35Å; L434-M436 PolarHBondContact O-N 3.2Å; L434-G437 PolarHBondContact O-N 3.48Å; L434-M438 HydrophobicContact CD2-CG 4.47Å; L434-M438 HydrophobicContact CD2-SD 3.45Å; L434-M438 WeakPolarHBondContact CD2-SD 3.31Å; L434-M438 HydrophobicContact CG-SD 4.16Å; L434-M438 WeakPolarHBondContact O-CB 3.25Å; L434-M438 VanDerWaalsContact O-CG 3.27Å; L434-M438 WeakPolarHBondContact O-CG 3.22Å; L434-M438 PolarHBondContact O-N 3.46Å
435K93.9Very high88.9Confident159 Ų159105 Ų10569%0.69151%0.514SS*.Hα-helixtrans-59.6-45.3175.7-171.9176.8-177.7179.20111.6R431 W432 M438 S439R431-K435 WeakPolarHBondContact O-CB 3.38Å; R431-K435 PolarHBondContact O-N 3.46Å; W432-K435 PolarHBondContact O-N 2.98Å; K435-M438 PolarHBondContact O-N 3.23Å; K435-S439 WeakPolarHBondContact O-CB 3.38Å; K435-S439 PolarHBondContact O-N 3.44Å; K435-S439 PolarHBondContact O-OG 2.92Å
436M91.3Very high88.5Confident71 Ų71109 Ų10935%0.3553%0.525SS..Hα-helixtrans-65-43.9178.2-166.164.577.500111.1W432 M433 L434 S439 N440W432-M436 HydrophobicContact CH2-CE 3.83Å; W432-M436 HydrophobicContact CZ2-CE 3.21Å; W432-M436 VanDerWaalsContact O-CB 3.29Å; W432-M436 WeakPolarHBondContact O-CB 3.4Å; W432-M436 PolarHBondContact O-N 2.86Å; M433-M436 PolarHBondContact O-N 2.88Å; L434-M436 VanDerWaalsContact C-N 3.35Å; L434-M436 PolarHBondContact O-N 3.2Å; M436-S439 WeakPolarHBondContact CA-OG 3.23Å; M436-S439 PolarHBondContact O-N 2.97Å; M436-S439 PolarHBondContact O-OG 3.11Å; M436-N440 WeakPolarHBondContact O-CB 3.28Å; M436-N440 PolarHBondContact O-N 3.12Å; M436-N440 PolarHBondContact O-ND2 3.4Å
437G91.4Very high88.5Confident30 Ų30111.9 Ų111.931%0.30954%0.538SS..Hα-helixtrans-60.3-46.5175.600000112.9M433 L434 S439 N440 N441M433-G437 PolarHBondContact O-N 3.44Å; L434-G437 PolarHBondContact O-N 3.48Å; G437-S439 VanDerWaalsContact C-N 3.34Å; G437-S439 PolarHBondContact O-N 2.9Å; G437-N440 WeakPolarHBondContact O-CB 3.48Å; G437-N440 PolarHBondContact O-N 2.89Å; G437-N440 VanDerWaalsContact O-N 3.15Å; G437-N441 PolarHBondContact O-N 2.94Å; G437-N441 PolarHBondContact O-OD1 2.86Å
438M90.2Very high88.3Confident124 Ų124111.5 Ų111.561%0.61154%0.541SS*.Hα-helixtrans-62.5-40.8175.8-69.3173.476.500111.9L434 K435 N440 N441L434-M438 HydrophobicContact CD2-CG 4.47Å; L434-M438 HydrophobicContact CD2-SD 3.45Å; L434-M438 WeakPolarHBondContact CD2-SD 3.31Å; L434-M438 HydrophobicContact CG-SD 4.16Å; L434-M438 WeakPolarHBondContact O-CB 3.25Å; L434-M438 VanDerWaalsContact O-CG 3.27Å; L434-M438 WeakPolarHBondContact O-CG 3.22Å; L434-M438 PolarHBondContact O-N 3.46Å; K435-M438 PolarHBondContact O-N 3.23Å; M438-N440 VanDerWaalsContact C-N 3.32Å; M438-N440 PolarHBondContact O-N 3.25Å; M438-N441 PolarHBondContact O-N 3.09Å
439S89.4Confident88Confident46 Ų46118.3 Ų118.332%0.32256%0.562SS.*Hα-helixtrans-68.6-30.2174.971.10000113.1K435 M436 G437 N441 T442 T443K435-S439 WeakPolarHBondContact O-CB 3.38Å; K435-S439 PolarHBondContact O-N 3.44Å; K435-S439 PolarHBondContact O-OG 2.92Å; M436-S439 WeakPolarHBondContact CA-OG 3.23Å; M436-S439 PolarHBondContact O-N 2.97Å; M436-S439 PolarHBondContact O-OG 3.11Å; G437-S439 VanDerWaalsContact C-N 3.34Å; G437-S439 PolarHBondContact O-N 2.9Å; S439-N441 VanDerWaalsContact C-N 3.32Å; S439-N441 PolarHBondContact O-N 2.9Å; S439-T442 PolarHBondContact O-N 3.24Å; S439-T442 PolarHBondContact O-OG1 3Å; S439-T442 VanDerWaalsContact O-OG1 3.11Å; S439-T443 WeakPolarHBondContact O-CB 3.3Å; S439-T443 WeakPolarHBondContact O-CG2 3.36Å; S439-T443 PolarHBondContact O-N 3.45Å; S439-T443 PolarHBondContact O-OG1 3.38Å
440N89.3Confident87.8Confident52 Ų52114.5 Ų114.528%0.27856%0.555SS.*Hα-helixtrans-69.3-29.9178.1-77.3-22.7000112.2M436 G437 M438 T442 T443 K444M436-N440 WeakPolarHBondContact O-CB 3.28Å; M436-N440 PolarHBondContact O-N 3.12Å; M436-N440 PolarHBondContact O-ND2 3.4Å; G437-N440 WeakPolarHBondContact O-CB 3.48Å; G437-N440 PolarHBondContact O-N 2.89Å; G437-N440 VanDerWaalsContact O-N 3.15Å; M438-N440 VanDerWaalsContact C-N 3.32Å; M438-N440 PolarHBondContact O-N 3.25Å; N440-T442 PolarHBondContact O-N 2.94Å; N440-T443 WeakPolarHBondContact CA-OG1 3.18Å; N440-K444 HydrophobicContact CB-CG 4.18Å; N440-K444 VanDerWaalsContact O-CB 3.27Å; N440-K444 WeakPolarHBondContact O-CB 3.31Å; N440-K444 PolarHBondContact O-N 3.34Å
441N84.5Confident87.5Confident99 Ų99121 Ų12153%0.52958%0.579SS.*Hα-helixtrans-58.7-36.7177.3-71.2-10.9000112G437 M438 S439 Q445G437-N441 PolarHBondContact O-N 2.94Å; G437-N441 PolarHBondContact O-OD1 2.86Å; M438-N441 PolarHBondContact O-N 3.09Å; S439-N441 VanDerWaalsContact C-N 3.32Å; S439-N441 PolarHBondContact O-N 2.9Å; N441-Q445 WeakPolarHBondContact O-CB 3.17Å; N441-Q445 VanDerWaalsContact O-CG 3.28Å; N441-Q445 WeakPolarHBondContact O-CG 3.25Å
442T81.4Confident87.1Confident112 Ų112117.9 Ų117.969%0.68758%0.578SS**Hα-helixtrans-90.8-42.3176.953.60000112.5S439 N440S439-T442 PolarHBondContact O-N 3.24Å; S439-T442 PolarHBondContact O-OG1 3Å; S439-T442 VanDerWaalsContact O-OG1 3.11Å; N440-T442 PolarHBondContact O-N 2.94Å
443T84.6Confident86.2Confident77 Ų77118.2 Ų118.247%0.47259%0.588SS.*Hα-helixtrans-75.9-28.6-174.153.10000114.1S439 N440 K446S439-T443 WeakPolarHBondContact O-CB 3.3Å; S439-T443 WeakPolarHBondContact O-CG2 3.36Å; S439-T443 PolarHBondContact O-N 3.45Å; S439-T443 PolarHBondContact O-OG1 3.38Å; N440-T443 WeakPolarHBondContact CA-OG1 3.18Å; T443-K446 WeakPolarHBondContact O-CE 3.4Å
444K84.1Confident85.2Confident159 Ų159126 Ų12669%0.69162%0.62SS**THydrogen-bonded Turntrans-99-19.2-177.4-61.3-145.3175.3-167.10114.5N440 K446N440-K444 HydrophobicContact CB-CG 4.18Å; N440-K444 VanDerWaalsContact O-CB 3.27Å; N440-K444 WeakPolarHBondContact O-CB 3.31Å; N440-K444 PolarHBondContact O-N 3.34Å; K444-K446 VanDerWaalsContact C-N 3.28Å; K444-K446 PolarHBondContact O-N 3.03Å
445Q83.5Confident84.8Confident100 Ų100126.5 Ų126.547%0.46762%0.62SS.*  trans-9150.6178.7-58.6-170.8-2.900112.3N441 H447 F448N441-Q445 WeakPolarHBondContact O-CB 3.17Å; N441-Q445 VanDerWaalsContact O-CG 3.28Å; N441-Q445 WeakPolarHBondContact O-CG 3.25Å; Q445-H447 PolarHBondContact O-N 3.46Å; Q445-F448 HydrophobicContact CB-CB 4.16Å; Q445-F448 PolarHBondContact O-N 3.28Å
446K81.4Confident84.4Confident170 Ų170124.7 Ų124.774%0.73962%0.617SS**THydrogen-bonded Turntrans-63.8-25.3-175-65.4-175178.5-177.50114.4T443 K444T443-K446 WeakPolarHBondContact O-CE 3.4Å; K444-K446 VanDerWaalsContact C-N 3.28Å; K444-K446 PolarHBondContact O-N 3.03Å
447H87.2Confident84Confident184 Ų184127.7 Ų127.785%0.85263%0.631SS**THydrogen-bonded Turntrans-122.743.6179.4-55.1-62000110.9Q445 R449Q445-H447 PolarHBondContact O-N 3.46Å; H447-R449 PolarHBondContact O-N 3.35Å
448F86.3Confident83.6Confident149 Ų149133.5 Ų133.565%0.65465%0.65SS**  trans-65.6127.5177.3-174.3-103000110.9Q445Q445-F448 HydrophobicContact CB-CB 4.16Å; Q445-F448 PolarHBondContact O-N 3.28Å
449R86.3Confident83.1Confident221 Ų221134.1 Ų134.183%0.83465%0.653SS**  trans-108.9117.3177.2-178.7177.1176.1173.4-0.4109.5H447 Q451H447-R449 PolarHBondContact O-N 3.35Å; R449-Q451 PolarHBondContact O-N 2.73Å
450A86.4Confident82.7Confident51 Ų51139.9 Ų139.942%0.42168%0.675SS.*  trans-64.3131.2172.200000110.1M453A450-M453 HydrophobicContact CB-SD 4.5Å
451Q80.6Confident82.3Confident196 Ų196146.2 Ų146.292%0.91670%0.703SS**SBendtrans-84.6-26.2-178.8-76.3-177.3-24.600113.1R449R449-Q451 PolarHBondContact O-N 2.73Å
452V83.6Confident82.1Confident103 Ų103149.8 Ų149.862%0.62472%0.717SS**  trans-114.8118.7175.7-176.70000107.2F454V452-F454 HydrophobicContact CG1-CD1 4.27Å; V452-F454 HydrophobicContact CG1-CE1 4.13Å
453M73.1Confident82.1Confident164 Ų164153 Ų15381%0.80872%0.719SS**  trans-98.1121.2173-58.6-72.1-83.400106.1A450A450-M453 HydrophobicContact CB-SD 4.5Å
454F68.8Low81.9Confident262 Ų262159.9 Ų159.9100%1.14974%0.741SS**  trans-82.60177.4-38.1-76.1000110.9V452V452-F454 HydrophobicContact CG1-CD1 4.27Å; V452-F454 HydrophobicContact CG1-CE1 4.13Å

Retrieved 454 of 454 residues in 2513.8 ms (Link to these results)