A0A087XEX1_POEFO Loading...

RWD domain-containing protein 3

AlphaFold DB , UniProt , Accession A0A087XEX1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 270 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
1M76Confident87.7Confident58 Ų5859 Ų5929%0.28633%0.333SS..  0138.50-74.3-51.9-61.500108.9A5 I6 G32 L33 L55M1-A5 HydrophobicContact CE-CB 3.69Å; M1-I6 HydrophobicContact CB-CD1 4.21Å; M1-I6 HydrophobicContact CB-CG1 4.43Å; M1-G32 WeakPolarHBondContact SD-CA 3.35Å; M1-L33 HydrophobicContact CE-CB 4.32Å; M1-L33 HydrophobicContact CE-CD1 3.66Å; M1-L33 HydrophobicContact CE-CG 3.9Å; M1-L55 HydrophobicContact CE-CB 4.3Å
2S81.6Confident87.8Confident35 Ų3554.3 Ų54.325%0.24531%0.307CS..  trans-75.5147.8172.9670000111A4 A5 I6 Y59 P60S2-A4 PolarHBondContact O-N 3.45Å; S2-A5 PolarHBondContact O-N 2.99Å; S2-A5 WeakPolarHBondContact OG-CB 3.34Å; S2-A5 PolarHBondContact OG-N 3.09Å; S2-I6 PolarHBondContact O-N 2.79Å; S2-Y59 PolarHBondContact OG-O 2.83Å; S2-P60 WeakPolarHBondContact OG-CD 3.49Å
3D85.9Confident87.9Confident139 Ų13953.7 Ų53.774%0.74331%0.308SS*.Hα-helixtrans-61.3-35.4176.5-66.9-25.6000111.3A5 I6 E7D3-A5 VanDerWaalsContact C-N 3.34Å; D3-A5 PolarHBondContact O-N 2.89Å; D3-I6 PolarHBondContact O-N 2.88Å; D3-E7 PolarHBondContact O-N 3.27Å
4A87.3Confident87.8Confident39 Ų3956 Ų5632%0.32233%0.329SS..Hα-helixtrans-60.5-39.2177.100000113S2 E8 P96S2-A4 PolarHBondContact O-N 3.45Å; A4-E8 WeakPolarHBondContact O-CB 3.29Å; A4-E8 PolarHBondContact O-N 2.81Å; A4-P96 HydrophobicContact CB-CG 4.03Å
5A87.1Confident87.6Confident0 Ų058 Ų580%034%0.337CS..Hα-helixtrans-68.1-38.1177.200000112.2M1 S2 D3 V9 Y59M1-A5 HydrophobicContact CE-CB 3.69Å; S2-A5 PolarHBondContact O-N 2.99Å; S2-A5 WeakPolarHBondContact OG-CB 3.34Å; S2-A5 PolarHBondContact OG-N 3.09Å; D3-A5 VanDerWaalsContact C-N 3.34Å; D3-A5 PolarHBondContact O-N 2.89Å; A5-V9 WeakPolarHBondContact O-CB 3.29Å; A5-V9 WeakPolarHBondContact O-CG2 3.49Å; A5-V9 PolarHBondContact O-N 3.46Å; A5-V9 VanDerWaalsContact O-N 3.1Å; A5-Y59 HydrophobicContact CB-CD1 3.62Å; A5-Y59 HydrophobicContact CB-CE1 4.02Å
6I89.2Confident87.4Confident71 Ų7155.6 Ų55.636%0.36432%0.321SS..Hα-helixtrans-68.7-43.4178.5-63.7170.4000109.9M1 S2 D3 V9 S10M1-I6 HydrophobicContact CB-CD1 4.21Å; M1-I6 HydrophobicContact CB-CG1 4.43Å; S2-I6 PolarHBondContact O-N 2.79Å; D3-I6 PolarHBondContact O-N 2.88Å; I6-V9 PolarHBondContact O-N 2.9Å; I6-S10 WeakPolarHBondContact O-CB 3.49Å; I6-S10 PolarHBondContact O-N 3.02Å
7E91.7Very high86.9Confident136 Ų13658.2 Ų58.264%0.63634%0.341SS*.Hα-helixtrans-61.9-47.4175.9-172.7177.3-173.200111.5D3 V9 S10 V11D3-E7 PolarHBondContact O-N 3.27Å; E7-V9 PolarHBondContact O-N 2.92Å; E7-S10 WeakPolarHBondContact O-CB 3.42Å; E7-S10 PolarHBondContact O-N 3.29Å; E7-S10 VanDerWaalsContact O-N 3.17Å; E7-V11 WeakPolarHBondContact O-CG2 3.49Å; E7-V11 PolarHBondContact O-N 3.39Å
8E93.2Very high86.4Confident21 Ų2165.3 Ų65.310%0.09836%0.361CS..Hα-helixtrans-56.2-48.5176.8178.2-178-141.900111.8A4 S10 V11 L12 Y59 P96 M97 L98A4-E8 WeakPolarHBondContact O-CB 3.29Å; A4-E8 PolarHBondContact O-N 2.81Å; E8-S10 VanDerWaalsContact C-N 3.31Å; E8-S10 PolarHBondContact O-N 3.02Å; E8-V11 PolarHBondContact O-N 3.45Å; E8-L12 HydrophobicContact CG-CD1 3.66Å; E8-L12 HydrophobicContact CG-CG 4.4Å; E8-L12 WeakPolarHBondContact O-CB 3.39Å; E8-L12 VanDerWaalsContact O-CG 3.28Å; E8-L12 WeakPolarHBondContact O-CG 3.16Å; E8-L12 PolarHBondContact O-N 3.33Å; E8-Y59 VanDerWaalsContact OE2-CE1 3.25Å; E8-Y59 WeakPolarHBondContact OE2-CE1 3.46Å; E8-Y59 PolarHBondContact OE2-OH 2.83Å; E8-P96 HydrophobicContact CB-CB 3.87Å; E8-P96 HydrophobicContact CG-CB 3.94Å; E8-P96 WeakPolarHBondContact OE1-CB 3.45Å; E8-P96 WeakPolarHBondContact OE2-CB 3.39Å; E8-M97 PolarHBondContact OE1-N 3.47Å; E8-L98 HydrophobicContact CG-CB 4.49Å; E8-L98 WeakPolarHBondContact OE1-CB 3.44Å; E8-L98 PolarHBondContact OE1-N 3.48Å
9V91.2Very high85.8Confident6 Ų671.1 Ų71.14%0.03639%0.392CS..Hα-helixtrans-63.5-38.6179.1164.30000111.5A5 I6 E7 L12 S13 F22 I24 L33 V35 L55 L98A5-V9 WeakPolarHBondContact O-CB 3.29Å; A5-V9 WeakPolarHBondContact O-CG2 3.49Å; A5-V9 PolarHBondContact O-N 3.46Å; A5-V9 VanDerWaalsContact O-N 3.1Å; I6-V9 PolarHBondContact O-N 2.9Å; E7-V9 PolarHBondContact O-N 2.92Å; V9-L12 PolarHBondContact O-N 3.25Å; V9-S13 WeakPolarHBondContact O-CB 3.49Å; V9-S13 PolarHBondContact O-N 2.94Å; V9-F22 HydrophobicContact CG1-CE1 4.43Å; V9-F22 HydrophobicContact CG1-CZ 4.05Å; V9-I24 HydrophobicContact CG1-CD1 3.6Å; V9-I24 HydrophobicContact CG1-CG1 3.98Å; V9-L33 HydrophobicContact CG2-CD1 4.15Å; V9-V35 HydrophobicContact CG1-CG1 4.15Å; V9-V35 HydrophobicContact CG2-CG1 3.95Å; V9-L55 HydrophobicContact CG2-CD1 3.9Å; V9-L98 HydrophobicContact CG2-CD1 4.25Å
10S90.3Very high85.3Confident70 Ų7069.1 Ų69.149%0.4939%0.388SS..Hα-helixtrans-62.7-45.9175.4-173.70000111.6I6 E7 E8 S13 S14I6-S10 WeakPolarHBondContact O-CB 3.49Å; I6-S10 PolarHBondContact O-N 3.02Å; E7-S10 WeakPolarHBondContact O-CB 3.42Å; E7-S10 PolarHBondContact O-N 3.29Å; E7-S10 VanDerWaalsContact O-N 3.17Å; E8-S10 VanDerWaalsContact C-N 3.31Å; E8-S10 PolarHBondContact O-N 3.02Å; S10-S13 PolarHBondContact O-N 2.7Å; S10-S13 PolarHBondContact O-OG 3.43Å; S10-S14 PolarHBondContact O-N 3.17Å; S10-S14 PolarHBondContact O-OG 3.28Å
11V91.7Very high85.1Confident74 Ų7467.7 Ų67.745%0.44838%0.378SS..Hα-helixtrans-62.4-45.6176.2171.20000110.6E7 E8 S13 S14 I15E7-V11 WeakPolarHBondContact O-CG2 3.49Å; E7-V11 PolarHBondContact O-N 3.39Å; E8-V11 PolarHBondContact O-N 3.45Å; V11-S13 VanDerWaalsContact C-N 3.32Å; V11-S13 PolarHBondContact O-N 3.2Å; V11-S14 WeakPolarHBondContact O-CA 3.5Å; V11-S14 WeakPolarHBondContact O-CB 3.35Å; V11-S14 PolarHBondContact O-N 2.98Å; V11-I15 HydrophobicContact CG1-CD1 3.76Å; V11-I15 HydrophobicContact CG1-CG1 4.38Å; V11-I15 WeakPolarHBondContact O-CG1 3.43Å; V11-I15 PolarHBondContact O-N 2.91Å
12L88.8Confident85.7Confident2 Ų266 Ų661%0.0137%0.369CS..Hα-helixtrans-62.2-38.3178.8-74.3165.4000112.4E8 V9 S14 I15 Y16 F22 F37 L98 L99E8-L12 HydrophobicContact CG-CD1 3.66Å; E8-L12 HydrophobicContact CG-CG 4.4Å; E8-L12 WeakPolarHBondContact O-CB 3.39Å; E8-L12 VanDerWaalsContact O-CG 3.28Å; E8-L12 WeakPolarHBondContact O-CG 3.16Å; E8-L12 PolarHBondContact O-N 3.33Å; V9-L12 PolarHBondContact O-N 3.25Å; L12-S14 PolarHBondContact O-N 3.41Å; L12-I15 PolarHBondContact O-N 2.92Å; L12-Y16 HydrophobicContact CD2-CD2 4.06Å; L12-Y16 HydrophobicContact CD2-CE2 3.72Å; L12-Y16 WeakPolarHBondContact O-CD2 3.39Å; L12-Y16 PolarHBondContact O-N 3.28Å; L12-F22 HydrophobicContact CB-CE2 4.43Å; L12-F22 HydrophobicContact CB-CZ 4.44Å; L12-F37 HydrophobicContact CB-CZ 4.2Å; L12-F37 HydrophobicContact CD1-CZ 4Å; L12-F37 HydrophobicContact CD2-CE1 4.39Å; L12-F37 HydrophobicContact CD2-CZ 4.23Å; L12-F37 HydrophobicContact CG-CZ 4.38Å; L12-L98 HydrophobicContact CD1-CB 3.48Å; L12-L98 VanDerWaalsContact CD1-CB 3.48Å; L12-L98 HydrophobicContact CD1-CD1 3.91Å; L12-L98 HydrophobicContact CD1-CG 4.38Å; L12-L99 HydrophobicContact CD2-CB 3.91Å; L12-L99 HydrophobicContact CD2-CD1 3.74Å; L12-L99 HydrophobicContact CD2-CG 4.39Å
13S88.2Confident86.1Confident47 Ų4768.6 Ų68.633%0.32938%0.377SS..Hα-helixtrans-62.6-28.7174.579.20000113.1V9 S10 V11V9-S13 WeakPolarHBondContact O-CB 3.49Å; V9-S13 PolarHBondContact O-N 2.94Å; S10-S13 PolarHBondContact O-N 2.7Å; S10-S13 PolarHBondContact O-OG 3.43Å; V11-S13 VanDerWaalsContact C-N 3.32Å; V11-S13 PolarHBondContact O-N 3.2Å
14S87.8Confident86.4Confident86 Ų8665.8 Ų65.860%0.60136%0.362SS*.Hα-helixtrans-80.4-34.8177.2-57.10000112.5S10 V11 L12S10-S14 PolarHBondContact O-N 3.17Å; S10-S14 PolarHBondContact O-OG 3.28Å; V11-S14 WeakPolarHBondContact O-CA 3.5Å; V11-S14 WeakPolarHBondContact O-CB 3.35Å; V11-S14 PolarHBondContact O-N 2.98Å; L12-S14 PolarHBondContact O-N 3.41Å
15I84.1Confident86.4Confident86 Ų8668 Ų6844%0.44137%0.371SS..Hα-helixtrans-71.1-45.7176.4-65169.2000110.5V11 L12 C17 L99V11-I15 HydrophobicContact CG1-CD1 3.76Å; V11-I15 HydrophobicContact CG1-CG1 4.38Å; V11-I15 WeakPolarHBondContact O-CG1 3.43Å; V11-I15 PolarHBondContact O-N 2.91Å; L12-I15 PolarHBondContact O-N 2.92Å; I15-C17 PolarHBondContact O-N 3.22Å; I15-L99 HydrophobicContact CD1-CD1 4.34Å
16Y83.8Confident86.4Confident20 Ų2072.6 Ų72.68%0.07839%0.392CS..SBendtrans-103.561.9-175.7-62.7-70.6000111.3L12 R18 E21 F22 F37 L99 V102L12-Y16 HydrophobicContact CD2-CD2 4.06Å; L12-Y16 HydrophobicContact CD2-CE2 3.72Å; L12-Y16 WeakPolarHBondContact O-CD2 3.39Å; L12-Y16 PolarHBondContact O-N 3.28Å; Y16-R18 VanDerWaalsContact C-N 3.34Å; Y16-R18 PolarHBondContact O-N 3.14Å; Y16-E21 HydrophobicContact CD1-CG 4.03Å; Y16-E21 HydrophobicContact CG-CG 4.47Å; Y16-F22 WeakPolarHBondContact O-CB 3.39Å; Y16-F37 HydrophobicContact CD2-CD1 4.24Å; Y16-F37 AromaticContact CD2-CE1 3.59Å; Y16-F37 HydrophobicContact CD2-CE1 3.59Å; Y16-F37 HydrophobicContact CE2-CD1 4.49Å; Y16-F37 AromaticContact CE2-CE1 3.87Å; Y16-F37 HydrophobicContact CE2-CE1 3.87Å; Y16-F37 HydrophobicContact CG-CE1 4.24Å; Y16-L99 HydrophobicContact CE2-CD1 4.14Å; Y16-V102 HydrophobicContact CE1-CG1 4.33Å; Y16-V102 HydrophobicContact CE2-CG1 4.05Å; Y16-V102 WeakPolarHBondContact OH-CG1 3.39Å
17C80Confident86.3Confident100 Ų10075.6 Ų75.668%0.67641%0.405SS*.  trans-87.85-170.962.70000114.7I15I15-C17 PolarHBondContact O-N 3.22Å
18R77.6Confident85.8Confident186 Ų18670.3 Ų70.370%0.70238%0.383SS*.SBendtrans-77147177.5-61.6176.4174.4171.91.4110.9Y16 G20 E21Y16-R18 VanDerWaalsContact C-N 3.34Å; Y16-R18 PolarHBondContact O-N 3.14Å; R18-G20 PolarHBondContact O-N 2.98Å; R18-G20 VanDerWaalsContact O-N 3.09Å; R18-E21 HydrophobicContact CB-CB 3.97Å; R18-E21 VanDerWaalsContact CB-OE2 3.29Å; R18-E21 WeakPolarHBondContact CB-OE2 3.4Å; R18-E21 WeakPolarHBondContact CG-OE2 3.39Å; R18-E21 PolarHBondContact N-OE2 2.77Å; R18-E21 WeakPolarHBondContact O-CB 3.4Å; R18-E21 PolarHBondContact O-N 3Å
19D74.3Confident84.9Confident175 Ų17573.4 Ų73.494%0.93641%0.412SS*.THydrogen-bonded Turntrans-55.1118178.8-73.9-25.9000111.4E21D19-E21 VanDerWaalsContact C-N 3.32Å; D19-E21 PolarHBondContact O-N 3.33Å
20G76.2Confident84.2Confident30 Ų3080.9 Ų80.931%0.30945%0.446SS..THydrogen-bonded Turntrans80.9-0.3178.600000115.7R18 N38R18-G20 PolarHBondContact O-N 2.98Å; R18-G20 VanDerWaalsContact O-N 3.09Å; G20-N38 VanDerWaalsContact O-CB 3.29Å; G20-N38 WeakPolarHBondContact O-CB 3.4Å; G20-N38 PolarHBondContact O-ND2 2.93Å
21E82.1Confident83.6Confident41 Ų4182.7 Ų82.719%0.19245%0.451CS..THydrogen-bonded Turntrans-77-40.7-179.8-171.8175-146.500112.4Y16 R18 D19 F37 N38Y16-E21 HydrophobicContact CD1-CG 4.03Å; Y16-E21 HydrophobicContact CG-CG 4.47Å; R18-E21 HydrophobicContact CB-CB 3.97Å; R18-E21 VanDerWaalsContact CB-OE2 3.29Å; R18-E21 WeakPolarHBondContact CB-OE2 3.4Å; R18-E21 WeakPolarHBondContact CG-OE2 3.39Å; R18-E21 PolarHBondContact N-OE2 2.77Å; R18-E21 WeakPolarHBondContact O-CB 3.4Å; R18-E21 PolarHBondContact O-N 3Å; D19-E21 VanDerWaalsContact C-N 3.32Å; D19-E21 PolarHBondContact O-N 3.33Å; E21-F37 WeakPolarHBondContact O-CA 3.38Å; E21-N38 PolarHBondContact O-N 2.96Å
22F87.8Confident83.4Confident21 Ų2179.1 Ų79.19%0.09243%0.429CS..EExtended strand (participates in β ladder)trans-134.8135.6174.9178-101.1000111.1V9 L12 Y16 I24 V35 Q36 F37V9-F22 HydrophobicContact CG1-CE1 4.43Å; V9-F22 HydrophobicContact CG1-CZ 4.05Å; L12-F22 HydrophobicContact CB-CE2 4.43Å; L12-F22 HydrophobicContact CB-CZ 4.44Å; Y16-F22 WeakPolarHBondContact O-CB 3.39Å; F22-I24 HydrophobicContact CE1-CD1 4.47Å; F22-I24 HydrophobicContact CE1-CG1 3.86Å; F22-I24 HydrophobicContact CZ-CG1 4.16Å; F22-V35 HydrophobicContact CE2-CB 3.82Å; F22-V35 HydrophobicContact CE2-CG1 4.26Å; F22-V35 HydrophobicContact CE2-CG2 4.38Å; F22-V35 HydrophobicContact CZ-CB 4.03Å; F22-V35 HydrophobicContact CZ-CG1 3.95Å; F22-Q36 CarbonylContact C-O 3.56Å; F22-Q36 WeakPolarHBondContact CA-O 3.38Å; F22-F37 HydrophobicContact CB-CD1 4.49Å; F22-F37 HydrophobicContact CB-CE1 4.45Å; F22-F37 AromaticContact CD2-CD1 3.64Å; F22-F37 HydrophobicContact CD2-CD1 3.64Å; F22-F37 HydrophobicContact CD2-CD2 4.02Å; F22-F37 AromaticContact CD2-CE1 3.21Å; F22-F37 HydrophobicContact CD2-CE1 3.21Å; F22-F37 AromaticContact CD2-CE2 3.65Å; F22-F37 HydrophobicContact CD2-CE2 3.65Å; F22-F37 HydrophobicContact CD2-CG 4.03Å; F22-F37 AromaticContact CD2-CZ 3.22Å; F22-F37 HydrophobicContact CD2-CZ 3.22Å; F22-F37 HydrophobicContact CE2-CD1 4.4Å; F22-F37 HydrophobicContact CE2-CD2 4.15Å; F22-F37 AromaticContact CE2-CE1 3.71Å; F22-F37 HydrophobicContact CE2-CE1 3.71Å; F22-F37 AromaticContact CE2-CE2 3.43Å; F22-F37 HydrophobicContact CE2-CE2 3.43Å; F22-F37 VanDerWaalsContact CE2-CE2 3.43Å; F22-F37 AromaticContact CE2-CZ 3.16Å; F22-F37 HydrophobicContact CE2-CZ 3.16Å; F22-F37 HydrophobicContact CG-CE1 4.16Å; F22-F37 HydrophobicContact CG-CZ 4.43Å; F22-F37 HydrophobicContact CZ-CZ 4.36Å
23Q90.4Very high83.6Confident90 Ų9079.2 Ų79.242%0.42143%0.429SS..EExtended strand (participates in β ladder)trans-142.5138.5178.4-63.9-177.8-0.400110.9V35 Q36Q23-V35 CarbonylContact O-C 3.6Å; Q23-V35 WeakPolarHBondContact O-CA 3.43Å; Q23-Q36 PolarHBondContact N-O 2.87Å; Q23-Q36 PolarHBondContact O-N 2.82Å
24I90.9Very high83.8Confident80 Ų8077.5 Ų77.541%0.4142%0.417SS..EExtended strand (participates in β ladder)trans-89.4108.8166.3-55.5174000106.3V9 F22 Q27 L33 V35V9-I24 HydrophobicContact CG1-CD1 3.6Å; V9-I24 HydrophobicContact CG1-CG1 3.98Å; F22-I24 HydrophobicContact CE1-CD1 4.47Å; F22-I24 HydrophobicContact CE1-CG1 3.86Å; F22-I24 HydrophobicContact CZ-CG1 4.16Å; I24-Q27 HydrophobicContact CG2-CB 4.43Å; I24-L33 HydrophobicContact CG2-CD2 4.49Å; I24-V35 HydrophobicContact CG1-CG1 4.34Å
25V88.6Confident84Confident85 Ų8573.4 Ų73.452%0.51539%0.389SS..EExtended strand (participates in β ladder)trans-80.2-37.2-176.7-178.30000110.6V34 Q36V25-V34 HydrophobicContact CB-CB 4.27Å; V25-V34 HydrophobicContact CB-CG1 4.07Å; V25-V34 PolarHBondContact N-O 2.8Å; V25-Q36 HydrophobicContact CG2-CB 3.68Å
26Q87.3Confident84.4Confident97 Ų9771.3 Ų71.345%0.45338%0.377SS..EExtended strand (participates in β ladder)trans-150.4142.6179.9-172176.60.900111V34Q26-V34 HydrophobicContact CB-CB 3.98Å; Q26-V34 HydrophobicContact CB-CG2 4.01Å; Q26-V34 PolarHBondContact N-O 2.8Å; Q26-V34 PolarHBondContact O-N 2.93Å
27Q86.5Confident84.7Confident135 Ų13570.5 Ų70.563%0.63137%0.374SS*.EExtended strand (participates in β ladder)trans-135.4112.7171.2177.4168.223.700109.6I24 L33I24-Q27 HydrophobicContact CG2-CB 4.43Å; Q27-L33 HydrophobicContact CB-CD2 3.64Å; Q27-L33 HydrophobicContact CG-CD2 3.49Å; Q27-L33 VanDerWaalsContact CG-CD2 3.49Å
28S82.1Confident85Confident24 Ų2467.6 Ų67.617%0.16835%0.352CS..EExtended strand (participates in β ladder)trans-131.8138.6177.9176.10000109.6Q30 D31 G32S28-Q30 PolarHBondContact O-N 2.76Å; S28-Q30 PolarHBondContact OG-N 3.14Å; S28-D31 WeakPolarHBondContact CB-OD2 3.32Å; S28-D31 PolarHBondContact OG-N 3.26Å; S28-D31 VanDerWaalsContact OG-N 3.14Å; S28-D31 PolarHBondContact OG-OD2 2.98Å; S28-G32 PolarHBondContact N-O 2.81Å; S28-G32 CarbonylContact O-C 3.18Å; S28-G32 WeakPolarHBondContact O-CA 3.32Å; S28-G32 PolarHBondContact O-N 3.08Å; S28-G32 VanDerWaalsContact O-N 3.08Å; S28-G32 VanDerWaalsContact O-O 3.09Å
29A72.5Confident84.9Confident86 Ų8659.2 Ų59.271%0.71132%0.321SS*.THydrogen-bonded Turntrans-66.7-27.517400000112.1
30Q76.6Confident84.6Confident163 Ų16355.9 Ų55.976%0.76231%0.307SS*.THydrogen-bonded Turntrans-96-41.3-174.1-68.4153.4-9.500111.9S28 P57S28-Q30 PolarHBondContact O-N 2.76Å; S28-Q30 PolarHBondContact OG-N 3.14Å; Q30-P57 VanDerWaalsContact O-CG 3.32Å; Q30-P57 WeakPolarHBondContact O-CG 3.42Å
31D78.9Confident83.6Confident108 Ų10855 Ų5558%0.57830%0.298SS*.THydrogen-bonded Turntrans-100.1-6-174.5-45.6-67.5000113.4S28S28-D31 WeakPolarHBondContact CB-OD2 3.32Å; S28-D31 PolarHBondContact OG-N 3.26Å; S28-D31 VanDerWaalsContact OG-N 3.14Å; S28-D31 PolarHBondContact OG-OD2 2.98Å
32G87.9Confident81.9Confident0 Ų054.6 Ų54.60%031%0.306CS..EExtended strand (participates in β ladder)trans87-155.5178.200000115M1 S28 L55M1-G32 WeakPolarHBondContact SD-CA 3.35Å; S28-G32 PolarHBondContact N-O 2.81Å; S28-G32 CarbonylContact O-C 3.18Å; S28-G32 WeakPolarHBondContact O-CA 3.32Å; S28-G32 PolarHBondContact O-N 3.08Å; S28-G32 VanDerWaalsContact O-N 3.08Å; S28-G32 VanDerWaalsContact O-O 3.09Å; G32-L55 VanDerWaalsContact CA-O 3.32Å; G32-L55 WeakPolarHBondContact CA-O 3.28Å
33L91.7Very high79.5Confident3 Ų365 Ų652%0.01634%0.344CS..EExtended strand (participates in β ladder)trans-111.3138.1-177.4-71.7167.4000110.4M1 V9 I24 Q27 L55M1-L33 HydrophobicContact CE-CB 4.32Å; M1-L33 HydrophobicContact CE-CD1 3.66Å; M1-L33 HydrophobicContact CE-CG 3.9Å; V9-L33 HydrophobicContact CG2-CD1 4.15Å; I24-L33 HydrophobicContact CG2-CD2 4.49Å; Q27-L33 HydrophobicContact CB-CD2 3.64Å; Q27-L33 HydrophobicContact CG-CD2 3.49Å; Q27-L33 VanDerWaalsContact CG-CD2 3.49Å; L33-L55 HydrophobicContact CB-CB 4.09Å; L33-L55 HydrophobicContact CB-CD1 4.03Å; L33-L55 HydrophobicContact CB-CG 4.24Å; L33-L55 HydrophobicContact CD1-CD1 4.23Å; L33-L55 PolarHBondContact N-O 3.38Å; L33-L55 PolarHBondContact O-N 2.87Å
34V92.7Very high77.4Confident12 Ų1264.1 Ų64.17%0.07336%0.359CS..EExtended strand (participates in β ladder)trans-117117.7168.6-174.10000108V25 Q26 V52 F53 H54V25-V34 HydrophobicContact CB-CB 4.27Å; V25-V34 HydrophobicContact CB-CG1 4.07Å; V25-V34 PolarHBondContact N-O 2.8Å; Q26-V34 HydrophobicContact CB-CB 3.98Å; Q26-V34 HydrophobicContact CB-CG2 4.01Å; Q26-V34 PolarHBondContact N-O 2.8Å; Q26-V34 PolarHBondContact O-N 2.93Å; V34-V52 HydrophobicContact CG1-CG1 3.5Å; V34-F53 WeakPolarHBondContact CA-O 3.42Å; V34-H54 WeakPolarHBondContact CG2-ND1 3.47Å
35V92.8Very high75.6Confident0 Ų062.8 Ų62.80%037%0.365CS..EExtended strand (participates in β ladder)trans-118.8141.4179.9-60.40000110.2V9 F22 Q23 I24 F37 V52 F53 L98V9-V35 HydrophobicContact CG1-CG1 4.15Å; V9-V35 HydrophobicContact CG2-CG1 3.95Å; F22-V35 HydrophobicContact CE2-CB 3.82Å; F22-V35 HydrophobicContact CE2-CG1 4.26Å; F22-V35 HydrophobicContact CE2-CG2 4.38Å; F22-V35 HydrophobicContact CZ-CB 4.03Å; F22-V35 HydrophobicContact CZ-CG1 3.95Å; Q23-V35 CarbonylContact O-C 3.6Å; Q23-V35 WeakPolarHBondContact O-CA 3.43Å; I24-V35 HydrophobicContact CG1-CG1 4.34Å; V35-F37 HydrophobicContact CG2-CE2 4.03Å; V35-V52 CarbonylContact O-C 3.59Å; V35-V52 WeakPolarHBondContact O-CA 3.33Å; V35-F53 HydrophobicContact CG2-CB 3.82Å; V35-F53 HydrophobicContact CG2-CD2 4.38Å; V35-F53 PolarHBondContact N-O 3.4Å; V35-F53 PolarHBondContact O-N 3.46Å; V35-L98 HydrophobicContact CG2-CD1 3.89Å
36Q91.9Very high73.9Confident41 Ų4167.6 Ų67.619%0.19238%0.379CS..EExtended strand (participates in β ladder)trans-120.8130.7-179.2178.4177.7-17.400109.7F22 Q23 V25 N38 S50 A51 V52F22-Q36 CarbonylContact C-O 3.56Å; F22-Q36 WeakPolarHBondContact CA-O 3.38Å; Q23-Q36 PolarHBondContact N-O 2.87Å; Q23-Q36 PolarHBondContact O-N 2.82Å; V25-Q36 HydrophobicContact CG2-CB 3.68Å; Q36-N38 PolarHBondContact NE2-ND2 3.2Å; Q36-N38 PolarHBondContact NE2-OD1 3.39Å; Q36-S50 PolarHBondContact NE2-OG 2.93Å; Q36-A51 CarbonylContact C-O 3.41Å; Q36-A51 WeakPolarHBondContact CA-O 3.36Å; Q36-V52 HydrophobicContact CB-CG2 4.23Å; Q36-V52 HydrophobicContact CG-CG2 4.02Å
37F89.6Confident72.8Confident3 Ų363.2 Ų63.21%0.01336%0.358CS..EExtended strand (participates in β ladder)trans-113.6128.5171.1-70.7-93.8000109.3L12 Y16 E21 F22 V35 S50 A51 F53 V102L12-F37 HydrophobicContact CB-CZ 4.2Å; L12-F37 HydrophobicContact CD1-CZ 4Å; L12-F37 HydrophobicContact CD2-CE1 4.39Å; L12-F37 HydrophobicContact CD2-CZ 4.23Å; L12-F37 HydrophobicContact CG-CZ 4.38Å; Y16-F37 HydrophobicContact CD2-CD1 4.24Å; Y16-F37 AromaticContact CD2-CE1 3.59Å; Y16-F37 HydrophobicContact CD2-CE1 3.59Å; Y16-F37 HydrophobicContact CE2-CD1 4.49Å; Y16-F37 AromaticContact CE2-CE1 3.87Å; Y16-F37 HydrophobicContact CE2-CE1 3.87Å; Y16-F37 HydrophobicContact CG-CE1 4.24Å; E21-F37 WeakPolarHBondContact O-CA 3.38Å; F22-F37 HydrophobicContact CB-CD1 4.49Å; F22-F37 HydrophobicContact CB-CE1 4.45Å; F22-F37 AromaticContact CD2-CD1 3.64Å; F22-F37 HydrophobicContact CD2-CD1 3.64Å; F22-F37 HydrophobicContact CD2-CD2 4.02Å; F22-F37 AromaticContact CD2-CE1 3.21Å; F22-F37 HydrophobicContact CD2-CE1 3.21Å; F22-F37 AromaticContact CD2-CE2 3.65Å; F22-F37 HydrophobicContact CD2-CE2 3.65Å; F22-F37 HydrophobicContact CD2-CG 4.03Å; F22-F37 AromaticContact CD2-CZ 3.22Å; F22-F37 HydrophobicContact CD2-CZ 3.22Å; F22-F37 HydrophobicContact CE2-CD1 4.4Å; F22-F37 HydrophobicContact CE2-CD2 4.15Å; F22-F37 AromaticContact CE2-CE1 3.71Å; F22-F37 HydrophobicContact CE2-CE1 3.71Å; F22-F37 AromaticContact CE2-CE2 3.43Å; F22-F37 HydrophobicContact CE2-CE2 3.43Å; F22-F37 VanDerWaalsContact CE2-CE2 3.43Å; F22-F37 AromaticContact CE2-CZ 3.16Å; F22-F37 HydrophobicContact CE2-CZ 3.16Å; F22-F37 HydrophobicContact CG-CE1 4.16Å; F22-F37 HydrophobicContact CG-CZ 4.43Å; F22-F37 HydrophobicContact CZ-CZ 4.36Å; V35-F37 HydrophobicContact CG2-CE2 4.03Å; F37-S50 CarbonylContact O-C 3.6Å; F37-S50 WeakPolarHBondContact O-CA 3.46Å; F37-A51 PolarHBondContact N-O 3.1Å; F37-A51 PolarHBondContact O-N 3.28Å; F37-F53 AromaticContact CD2-CD2 3.69Å; F37-F53 HydrophobicContact CD2-CD2 3.69Å; F37-F53 AromaticContact CD2-CE2 3.58Å; F37-F53 HydrophobicContact CD2-CE2 3.58Å; F37-F53 HydrophobicContact CE2-CD2 4.08Å; F37-F53 HydrophobicContact CE2-CE2 4.17Å; F37-F53 HydrophobicContact CG-CE2 4.4Å; F37-V102 HydrophobicContact CB-CG2 4.41Å; F37-V102 HydrophobicContact CD1-CB 4.45Å; F37-V102 HydrophobicContact CD1-CG1 3.92Å; F37-V102 HydrophobicContact CD1-CG2 3.65Å; F37-V102 HydrophobicContact CD2-CG2 3.72Å; F37-V102 HydrophobicContact CE1-CB 4.49Å; F37-V102 HydrophobicContact CE1-CG1 4.23Å; F37-V102 HydrophobicContact CE1-CG2 3.68Å; F37-V102 HydrophobicContact CE2-CG2 3.74Å; F37-V102 HydrophobicContact CG-CG1 4.48Å; F37-V102 HydrophobicContact CG-CG2 3.66Å; F37-V102 HydrophobicContact CZ-CG2 3.73Å
38N85.6Confident72.2Confident40 Ų4060.4 Ų60.421%0.21435%0.348CS..EExtended strand (participates in β ladder)trans-108.5111.7172.7-63.1-51.7000109.2G20 E21 Q36 V49 S50G20-N38 VanDerWaalsContact O-CB 3.29Å; G20-N38 WeakPolarHBondContact O-CB 3.4Å; G20-N38 PolarHBondContact O-ND2 2.93Å; E21-N38 PolarHBondContact O-N 2.96Å; Q36-N38 PolarHBondContact NE2-ND2 3.2Å; Q36-N38 PolarHBondContact NE2-OD1 3.39Å; N38-V49 CarbonylContact C-O 3.59Å; N38-V49 WeakPolarHBondContact CA-O 3.34Å; N38-S50 WeakPolarHBondContact OD1-CA 3.3Å; N38-S50 WeakPolarHBondContact OD1-CB 3.44Å; N38-S50 PolarHBondContact OD1-OG 3.4Å; N38-S50 VanDerWaalsContact OD1-OG 3.14Å
39C75.9Confident72.3Confident9 Ų959.4 Ų59.46%0.06134%0.34CS..EExtended strand (participates in β ladder)trans-94117.9174-640000109.4V49C39-V49 PolarHBondContact N-O 2.65Å; C39-V49 PolarHBondContact O-N 3.43Å
40T68.1Low73.1Confident105 Ų10556 Ų5664%0.64431%0.312SS*.EExtended strand (participates in β ladder)trans-93.8115.8170.1590000109.4L47T40-L47 WeakPolarHBondContact CA-O 3.43Å
41G55.1Low73.8Confident11 Ų1148.2 Ų48.211%0.11328%0.275CS..EExtended strand (participates in β ladder)trans-128.5163.8-177.900000113.4L47G41-L47 PolarHBondContact N-O 3.11Å; G41-L47 WeakPolarHBondContact O-CB 3.36Å; G41-L47 PolarHBondContact O-N 3.36Å
42G46.8Very low74.5Confident34 Ų3444.3 Ų44.335%0.35126%0.255SS..SBendtrans97.8154.9173.200000115.8G44 G45G42-G44 PolarHBondContact O-N 3.39Å; G42-G45 PolarHBondContact O-N 3.3Å
43R37.8Very low74.8Confident240 Ų24044.3 Ų44.391%0.90626%0.255SS*.THydrogen-bonded Turntrans-64.198.8179-167.7-177.2-74.3-105.61.7109.1
44G45.6Very low74.9Confident71 Ų7147.5 Ų47.573%0.73227%0.27SS*.THydrogen-bonded Turntrans104.814.3178.700000116.5G42 K46G42-G44 PolarHBondContact O-N 3.39Å; G44-K46 VanDerWaalsContact C-N 3.33Å; G44-K46 PolarHBondContact O-N 3.24Å
45G53.1Low74.9Confident51 Ų5147 Ų4753%0.52627%0.266SS..SBendtrans68.722.5168.100000115.9G42G42-G45 PolarHBondContact O-N 3.3Å
46K53.8Low74.8Confident187 Ų18752.3 Ų52.381%0.81329%0.292SS*.  trans-88.6-11.1-175.9-79.8-176.9176.9-179.50115.2G44G44-K46 VanDerWaalsContact C-N 3.33Å; G44-K46 PolarHBondContact O-N 3.24Å
47L63.6Low74.6Confident4 Ų453.1 Ų53.12%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-108.1119.4178.5-17877.4000111.1T40 G41 V49 L73 L113T40-L47 WeakPolarHBondContact CA-O 3.43Å; G41-L47 PolarHBondContact N-O 3.11Å; G41-L47 WeakPolarHBondContact O-CB 3.36Å; G41-L47 PolarHBondContact O-N 3.36Å; L47-V49 HydrophobicContact CD2-CG2 4Å; L47-V49 HydrophobicContact CG-CG2 4.08Å; L47-L73 HydrophobicContact CD1-CD2 3.85Å; L47-L73 HydrophobicContact CD1-CG 3.89Å; L47-L113 HydrophobicContact CB-CD1 4.21Å; L47-L113 HydrophobicContact CB-CD2 3.4Å; L47-L113 HydrophobicContact CB-CG 4.28Å; L47-L113 HydrophobicContact CD1-CD1 3.41Å; L47-L113 VanDerWaalsContact CD1-CD1 3.41Å; L47-L113 HydrophobicContact CD1-CD2 4.25Å; L47-L113 HydrophobicContact CD1-CG 4.35Å; L47-L113 HydrophobicContact CD2-CB 3.92Å; L47-L113 HydrophobicContact CD2-CD1 3.58Å; L47-L113 HydrophobicContact CD2-CD2 3.89Å; L47-L113 HydrophobicContact CD2-CG 3.94Å; L47-L113 HydrophobicContact CG-CD1 3.88Å; L47-L113 HydrophobicContact CG-CD2 4.02Å; L47-L113 HydrophobicContact CG-CG 4.39Å
48N74.4Confident74.6Confident76 Ų7655.7 Ų55.741%0.40632%0.319SS..EExtended strand (participates in β ladder)trans-113.9114.1174.8-60.8-19.8000108S70N48-S70 WeakPolarHBondContact O-CA 3.38Å; N48-S70 VanDerWaalsContact O-CB 3.3Å; N48-S70 WeakPolarHBondContact O-CB 3.49Å; N48-S70 PolarHBondContact O-OG 2.87Å
49V84.4Confident74.8Confident3 Ų353.9 Ų53.92%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-105.9122.7171.4-178.10000107.6N38 C39 L47 I68 L73 L105N38-V49 CarbonylContact C-O 3.59Å; N38-V49 WeakPolarHBondContact CA-O 3.34Å; C39-V49 PolarHBondContact N-O 2.65Å; C39-V49 PolarHBondContact O-N 3.43Å; L47-V49 HydrophobicContact CD2-CG2 4Å; L47-V49 HydrophobicContact CG-CG2 4.08Å; V49-I68 HydrophobicContact CG1-CG2 4.04Å; V49-L73 HydrophobicContact CG2-CD1 3.81Å; V49-L105 HydrophobicContact CG1-CD1 4.45Å
50S89.2Confident75.5Confident15 Ų1554.1 Ų54.111%0.10531%0.31CS..EExtended strand (participates in β ladder)trans-104.5115.6175.6174.90000109Q36 F37 N38 S69Q36-S50 PolarHBondContact NE2-OG 2.93Å; F37-S50 CarbonylContact O-C 3.6Å; F37-S50 WeakPolarHBondContact O-CA 3.46Å; N38-S50 WeakPolarHBondContact OD1-CA 3.3Å; N38-S50 WeakPolarHBondContact OD1-CB 3.44Å; N38-S50 PolarHBondContact OD1-OG 3.4Å; N38-S50 VanDerWaalsContact OD1-OG 3.14Å; S50-S69 WeakPolarHBondContact CB-OG 3.48Å; S50-S69 PolarHBondContact N-O 2.96Å; S50-S69 PolarHBondContact O-N 2.89Å
51A91.2Very high76.5Confident0 Ų053.3 Ų53.30%031%0.309CS..EExtended strand (participates in β ladder)trans-104.6121.7172.900000109.9Q36 F37 F53 S67 I68 L105Q36-A51 CarbonylContact C-O 3.41Å; Q36-A51 WeakPolarHBondContact CA-O 3.36Å; F37-A51 PolarHBondContact N-O 3.1Å; F37-A51 PolarHBondContact O-N 3.28Å; A51-F53 HydrophobicContact CB-CE2 3.73Å; A51-F53 HydrophobicContact CB-CZ 4.08Å; A51-S67 WeakPolarHBondContact CA-O 3.47Å; A51-I68 HydrophobicContact CB-CD1 3.57Å; A51-L105 HydrophobicContact CB-CD2 3.62Å
52V94.2Very high78Confident25 Ų2554.2 Ų54.215%0.15231%0.313CS..EExtended strand (participates in β ladder)trans-109.7125.8177.3-177.30000108.3V34 V35 Q36 I66 S67V34-V52 HydrophobicContact CG1-CG1 3.5Å; V35-V52 CarbonylContact O-C 3.59Å; V35-V52 WeakPolarHBondContact O-CA 3.33Å; Q36-V52 HydrophobicContact CB-CG2 4.23Å; Q36-V52 HydrophobicContact CG-CG2 4.02Å; V52-I66 WeakPolarHBondContact O-CA 3.39Å; V52-S67 PolarHBondContact N-O 3.26Å; V52-S67 PolarHBondContact O-N 2.81Å
53F93.6Very high80Confident0 Ų055.7 Ų55.70%032%0.316CS..EExtended strand (participates in β ladder)trans-112.8124.4178.4-57.5-94.9000109.1V34 V35 F37 A51 L55 P64 H65 I66 L98 L101 V102V34-F53 WeakPolarHBondContact CA-O 3.42Å; V35-F53 HydrophobicContact CG2-CB 3.82Å; V35-F53 HydrophobicContact CG2-CD2 4.38Å; V35-F53 PolarHBondContact N-O 3.4Å; V35-F53 PolarHBondContact O-N 3.46Å; F37-F53 AromaticContact CD2-CD2 3.69Å; F37-F53 HydrophobicContact CD2-CD2 3.69Å; F37-F53 AromaticContact CD2-CE2 3.58Å; F37-F53 HydrophobicContact CD2-CE2 3.58Å; F37-F53 HydrophobicContact CE2-CD2 4.08Å; F37-F53 HydrophobicContact CE2-CE2 4.17Å; F37-F53 HydrophobicContact CG-CE2 4.4Å; A51-F53 HydrophobicContact CB-CE2 3.73Å; A51-F53 HydrophobicContact CB-CZ 4.08Å; F53-L55 HydrophobicContact CB-CD2 4.45Å; F53-P64 HydrophobicContact CB-CB 4.42Å; F53-P64 HydrophobicContact CD1-CB 4.46Å; F53-P64 HydrophobicContact CD1-CG 4.14Å; F53-H65 CarbonylContact C-O 3.54Å; F53-H65 WeakPolarHBondContact CA-O 3.5Å; F53-I66 HydrophobicContact CD1-CD1 4.23Å; F53-I66 HydrophobicContact CD1-CG1 3.86Å; F53-I66 HydrophobicContact CD1-CG2 4.26Å; F53-I66 HydrophobicContact CE1-CD1 3.94Å; F53-I66 HydrophobicContact CE1-CG1 4.01Å; F53-I66 HydrophobicContact CE1-CG2 3.99Å; F53-L98 HydrophobicContact CB-CD2 3.76Å; F53-L98 HydrophobicContact CD1-CD2 3.62Å; F53-L98 HydrophobicContact CD2-CD2 4.14Å; F53-L98 HydrophobicContact CE1-CD2 4.22Å; F53-L98 HydrophobicContact CG-CD2 3.57Å; F53-L101 HydrophobicContact CD1-CD1 4.45Å; F53-L101 HydrophobicContact CE1-CB 4.11Å; F53-L101 HydrophobicContact CE1-CD1 3.98Å; F53-L101 HydrophobicContact CZ-CB 4.35Å; F53-V102 HydrophobicContact CE2-CG2 4.25Å; F53-V102 HydrophobicContact CZ-CG2 4.41Å
54H93Very high82.6Confident70 Ų7044.6 Ų44.632%0.32428%0.276SS..EExtended strand (participates in β ladder)trans-100.1114.1171.9-56.4-108.2000108.1V34 P64 H65V34-H54 WeakPolarHBondContact CG2-ND1 3.47Å; H54-P64 WeakPolarHBondContact O-CA 3.41Å; H54-H65 HydrophobicContact CB-CB 4.15Å; H54-H65 PolarHBondContact N-O 2.94Å; H54-H65 PolarHBondContact O-N 2.79Å
55L92.9Very high84.7Confident1 Ų145.5 Ų45.51%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-94.9105.4176.7-46.9-175.4000107.9M1 V9 G32 L33 F53 Y59 P64 L98M1-L55 HydrophobicContact CE-CB 4.3Å; V9-L55 HydrophobicContact CG2-CD1 3.9Å; G32-L55 VanDerWaalsContact CA-O 3.32Å; G32-L55 WeakPolarHBondContact CA-O 3.28Å; L33-L55 HydrophobicContact CB-CB 4.09Å; L33-L55 HydrophobicContact CB-CD1 4.03Å; L33-L55 HydrophobicContact CB-CG 4.24Å; L33-L55 HydrophobicContact CD1-CD1 4.23Å; L33-L55 PolarHBondContact N-O 3.38Å; L33-L55 PolarHBondContact O-N 2.87Å; F53-L55 HydrophobicContact CB-CD2 4.45Å; L55-Y59 HydrophobicContact CB-CD1 4.13Å; L55-Y59 HydrophobicContact CB-CG 4.13Å; L55-Y59 HydrophobicContact CD1-CD1 4.03Å; L55-Y59 HydrophobicContact CD1-CE1 4.05Å; L55-Y59 HydrophobicContact CD2-CD1 4.07Å; L55-Y59 HydrophobicContact CD2-CD2 4.09Å; L55-Y59 HydrophobicContact CD2-CE1 4.09Å; L55-Y59 HydrophobicContact CD2-CE2 4.14Å; L55-Y59 HydrophobicContact CD2-CG 4.08Å; L55-Y59 HydrophobicContact CG-CD1 4.31Å; L55-P64 HydrophobicContact CD2-CB 3.57Å; L55-P64 HydrophobicContact CD2-CG 4.5Å; L55-L98 HydrophobicContact CD1-CD1 3.93Å; L55-L98 HydrophobicContact CD2-CD1 4.08Å; L55-L98 HydrophobicContact CD2-CD2 4.05Å; L55-L98 HydrophobicContact CD2-CG 4.25Å
56E90Very high86.6Confident113 Ų11343.1 Ų43.153%0.52824%0.236SC..  trans-64.1160.5173.2-69.2-172.2-178.900111.2S58 Y59E56-S58 PolarHBondContact O-N 2.91Å; E56-Y59 VanDerWaalsContact O-CB 3.25Å; E56-Y59 WeakPolarHBondContact O-CB 3.49Å; E56-Y59 PolarHBondContact O-N 3.33Å
57P88.4Confident88.3Confident58 Ų5836.4 Ų36.438%0.37721%0.212SC..THydrogen-bonded Turntrans-54.2-24.6177.2-28.336.1000115.3Q30Q30-P57 VanDerWaalsContact O-CG 3.32Å; Q30-P57 WeakPolarHBondContact O-CG 3.42Å
58S89.4Confident89.6Confident57 Ų5737.2 Ų37.240%0.39922%0.217SC..THydrogen-bonded Turntrans-82.1-12.6177.440.60000114.3E56 S61 C62E56-S58 PolarHBondContact O-N 2.91Å; S58-S61 WeakPolarHBondContact O-CA 3.32Å; S58-S61 VanDerWaalsContact O-CB 3.22Å; S58-S61 WeakPolarHBondContact O-CB 3.39Å; S58-S61 PolarHBondContact O-N 2.82Å; S58-C62 PolarHBondContact OG-SG 3.37Å
59Y90.9Very high90.1Very high1 Ų136.7 Ų36.70%0.00422%0.219CC..THydrogen-bonded Turntrans-62.1136.3175.2178.6-92.6000110.6S2 A5 E8 L55 E56 C62 P64 P96 M97S2-Y59 PolarHBondContact OG-O 2.83Å; A5-Y59 HydrophobicContact CB-CD1 3.62Å; A5-Y59 HydrophobicContact CB-CE1 4.02Å; E8-Y59 VanDerWaalsContact OE2-CE1 3.25Å; E8-Y59 WeakPolarHBondContact OE2-CE1 3.46Å; E8-Y59 PolarHBondContact OE2-OH 2.83Å; L55-Y59 HydrophobicContact CB-CD1 4.13Å; L55-Y59 HydrophobicContact CB-CG 4.13Å; L55-Y59 HydrophobicContact CD1-CD1 4.03Å; L55-Y59 HydrophobicContact CD1-CE1 4.05Å; L55-Y59 HydrophobicContact CD2-CD1 4.07Å; L55-Y59 HydrophobicContact CD2-CD2 4.09Å; L55-Y59 HydrophobicContact CD2-CE1 4.09Å; L55-Y59 HydrophobicContact CD2-CE2 4.14Å; L55-Y59 HydrophobicContact CD2-CG 4.08Å; L55-Y59 HydrophobicContact CG-CD1 4.31Å; E56-Y59 VanDerWaalsContact O-CB 3.25Å; E56-Y59 WeakPolarHBondContact O-CB 3.49Å; E56-Y59 PolarHBondContact O-N 3.33Å; Y59-C62 VanDerWaalsContact CD2-O 3.28Å; Y59-C62 WeakPolarHBondContact CD2-O 3.43Å; Y59-P64 HydrophobicContact CD2-CB 4.42Å; Y59-P64 HydrophobicContact CE2-CB 4.43Å; Y59-P64 HydrophobicContact CE2-CG 4.35Å; Y59-P96 WeakPolarHBondContact OH-CA 3.25Å; Y59-M97 HydrophobicContact CE2-CG 4.08Å; Y59-M97 PolarHBondContact OH-N 2.82Å
60P90Very high90.1Very high14 Ų1437.8 Ų37.89%0.09123%0.227CC..THydrogen-bonded Turncis-91.59.811.236.6-37.5000116.4S2 C62 L94 E95 P96S2-P60 WeakPolarHBondContact OG-CD 3.49Å; P60-C62 PolarHBondContact O-N 3.19Å; P60-C62 VanDerWaalsContact O-N 3.16Å; P60-L94 CarbonylContact O-C 3.55Å; P60-E95 VanDerWaalsContact CB-C 3.47Å; P60-P96 HydrophobicContact CG-CG 4.26Å
61S88.1Confident89.3Confident88 Ų8843.1 Ų43.162%0.61526%0.259SS*.SBendtrans-68.9-9.1178.6-52.60000114S58S58-S61 WeakPolarHBondContact O-CA 3.32Å; S58-S61 VanDerWaalsContact O-CB 3.22Å; S58-S61 WeakPolarHBondContact O-CB 3.39Å; S58-S61 PolarHBondContact O-N 2.82Å
62C87.1Confident88.1Confident31 Ų3145.1 Ų45.121%0.20928%0.279CS..SBendtrans-135154.6166.261.60000109.5S58 Y59 P60S58-C62 PolarHBondContact OG-SG 3.37Å; Y59-C62 VanDerWaalsContact CD2-O 3.28Å; Y59-C62 WeakPolarHBondContact CD2-O 3.43Å; P60-C62 PolarHBondContact O-N 3.19Å; P60-C62 VanDerWaalsContact O-N 3.16Å
63P88.4Confident87Confident64 Ų6444.8 Ų44.842%0.41628%0.277SS..PPolyproline II helixtrans-68.1152.8176.728.1-34.6000111.5A89 M97P63-A89 HydrophobicContact CB-CB 3.87Å; P63-M97 HydrophobicContact CB-SD 4.47Å
64P92.4Very high85.9Confident8 Ų847.5 Ų47.55%0.05230%0.295CS..PPolyproline II helixtrans-72151.6178.932.5-35.6000111.2F53 H54 L55 Y59 I66 L98 L101F53-P64 HydrophobicContact CB-CB 4.42Å; F53-P64 HydrophobicContact CD1-CB 4.46Å; F53-P64 HydrophobicContact CD1-CG 4.14Å; H54-P64 WeakPolarHBondContact O-CA 3.41Å; L55-P64 HydrophobicContact CD2-CB 3.57Å; L55-P64 HydrophobicContact CD2-CG 4.5Å; Y59-P64 HydrophobicContact CD2-CB 4.42Å; Y59-P64 HydrophobicContact CE2-CB 4.43Å; Y59-P64 HydrophobicContact CE2-CG 4.35Å; P64-I66 HydrophobicContact CG-CG1 4.49Å; P64-I66 WeakPolarHBondContact O-CG1 3.36Å; P64-L98 HydrophobicContact CG-CD2 4.32Å; P64-L101 HydrophobicContact CG-CD1 3.96Å
65H91.3Very high84.7Confident90 Ų9053.4 Ų53.442%0.41732%0.32SS..EExtended strand (participates in β ladder)trans-79.5130.2169.4-175.485.2000110.1F53 H54F53-H65 CarbonylContact C-O 3.54Å; F53-H65 WeakPolarHBondContact CA-O 3.5Å; H54-H65 HydrophobicContact CB-CB 4.15Å; H54-H65 PolarHBondContact N-O 2.94Å; H54-H65 PolarHBondContact O-N 2.79Å
66I92.9Very high83.3Confident0 Ų059.1 Ų59.10%035%0.35CS..EExtended strand (participates in β ladder)trans-115.4127.3-169.4-47.6-179.3000110.2V52 F53 P64 I68 R82 L85 M86 L101V52-I66 WeakPolarHBondContact O-CA 3.39Å; F53-I66 HydrophobicContact CD1-CD1 4.23Å; F53-I66 HydrophobicContact CD1-CG1 3.86Å; F53-I66 HydrophobicContact CD1-CG2 4.26Å; F53-I66 HydrophobicContact CE1-CD1 3.94Å; F53-I66 HydrophobicContact CE1-CG1 4.01Å; F53-I66 HydrophobicContact CE1-CG2 3.99Å; P64-I66 HydrophobicContact CG-CG1 4.49Å; P64-I66 WeakPolarHBondContact O-CG1 3.36Å; I66-I68 HydrophobicContact CG2-CD1 4.03Å; I66-I68 HydrophobicContact CG2-CG1 4.35Å; I66-R82 VanDerWaalsContact O-CD 3.28Å; I66-R82 WeakPolarHBondContact O-CD 3.46Å; I66-R82 VanDerWaalsContact O-CG 3.28Å; I66-R82 WeakPolarHBondContact O-CG 3.41Å; I66-L85 HydrophobicContact CD1-CB 3.72Å; I66-L85 HydrophobicContact CG2-CB 4.38Å; I66-L85 HydrophobicContact CG2-CD1 4.19Å; I66-M86 HydrophobicContact CB-CG 4.33Å; I66-M86 HydrophobicContact CD1-CG 4.21Å; I66-M86 HydrophobicContact CG1-CG 4.36Å; I66-L101 HydrophobicContact CD1-CD1 4.27Å
67S89.7Confident82.2Confident46 Ų4655.2 Ų55.232%0.32233%0.331SS..EExtended strand (participates in β ladder)trans-118.8132172-75.30000110.5A51 V52A51-S67 WeakPolarHBondContact CA-O 3.47Å; V52-S67 PolarHBondContact N-O 3.26Å; V52-S67 PolarHBondContact O-N 2.81Å
68I89.5Confident81.5Confident22 Ų2253.1 Ų53.111%0.11332%0.318CS..EExtended strand (participates in β ladder)trans-118.6128-179.7-57.5-63.6000109.6V49 A51 I66 C78 I81 R82 L85V49-I68 HydrophobicContact CG1-CG2 4.04Å; A51-I68 HydrophobicContact CB-CD1 3.57Å; I66-I68 HydrophobicContact CG2-CD1 4.03Å; I66-I68 HydrophobicContact CG2-CG1 4.35Å; I68-C78 HydrophobicContact CB-CB 4.45Å; I68-C78 HydrophobicContact CG2-CB 4.07Å; I68-I81 HydrophobicContact CD1-CG2 4.17Å; I68-I81 HydrophobicContact CG1-CG2 4.06Å; I68-I81 HydrophobicContact CG2-CB 4.31Å; I68-I81 HydrophobicContact CG2-CG2 4.16Å; I68-R82 HydrophobicContact CB-CB 4.33Å; I68-R82 HydrophobicContact CG1-CB 3.81Å; I68-R82 HydrophobicContact CG1-CG 4.4Å; I68-L85 HydrophobicContact CD1-CD1 3.66Å; I68-L85 HydrophobicContact CG1-CD1 4.37Å
69S85.3Confident80.7Confident64 Ų6454.7 Ų54.745%0.44832%0.319SS..EExtended strand (participates in β ladder)trans-133.6152.317264.20000110.5S50S50-S69 WeakPolarHBondContact CB-OG 3.48Å; S50-S69 PolarHBondContact N-O 2.96Å; S50-S69 PolarHBondContact O-N 2.89Å
70S84.4Confident79.7Confident27 Ų2758.5 Ų58.519%0.18934%0.339CS..EExtended strand (participates in β ladder)trans-156.5146.6175.9-178.70000109.4N48 G72 L73N48-S70 WeakPolarHBondContact O-CA 3.38Å; N48-S70 VanDerWaalsContact O-CB 3.3Å; N48-S70 WeakPolarHBondContact O-CB 3.49Å; N48-S70 PolarHBondContact O-OG 2.87Å; S70-G72 VanDerWaalsContact C-N 3.32Å; S70-G72 PolarHBondContact OG-N 3.36Å; S70-G72 VanDerWaalsContact OG-N 3.11Å; S70-L73 PolarHBondContact OG-N 3.44Å
71T71.8Confident79.3Confident127 Ų12758.7 Ų58.778%0.77934%0.339SS*.SBendtrans-80.7-15.6170.652.60000112.6
72G66.1Low79.1Confident41 Ų4157.6 Ų57.642%0.42332%0.322SS..SBendtrans-112.7-1.7-175.700000115.2S70S70-G72 VanDerWaalsContact C-N 3.32Å; S70-G72 PolarHBondContact OG-N 3.36Å; S70-G72 VanDerWaalsContact OG-N 3.11Å
73L71.6Confident78.6Confident19 Ų1960 Ų6010%0.09933%0.33CS..SBendtrans-115.3148.3178.7-57.1177.6000111.7L47 V49 S70 Q77 I81 L113L47-L73 HydrophobicContact CD1-CD2 3.85Å; L47-L73 HydrophobicContact CD1-CG 3.89Å; V49-L73 HydrophobicContact CG2-CD1 3.81Å; S70-L73 PolarHBondContact OG-N 3.44Å; L73-Q77 VanDerWaalsContact CA-OE1 3.28Å; L73-Q77 HydrophobicContact CB-CB 4Å; L73-I81 HydrophobicContact CD1-CD1 3.45Å; L73-I81 VanDerWaalsContact CD1-CD1 3.45Å; L73-L113 HydrophobicContact CD2-CD1 3.96Å
74S69.6Low78.1Confident56 Ų5659.9 Ų59.939%0.39232%0.322SS..  trans-69.1159.2171.379.40000111.3I76 Q77 C78S74-I76 PolarHBondContact O-N 3.24Å; S74-Q77 WeakPolarHBondContact O-CB 3.41Å; S74-Q77 PolarHBondContact O-N 3.38Å; S74-Q77 VanDerWaalsContact O-N 3.08Å; S74-Q77 WeakPolarHBondContact OG-CG 3.25Å; S74-Q77 PolarHBondContact OG-N 2.91Å; S74-C78 PolarHBondContact O-N 2.75Å
75K69.7Low77.8Confident194 Ų19459.6 Ų59.684%0.84332%0.321SS*.Hα-helixtrans-55.4-36.7176.5-67.8-175.8179.5179.10112.6H79K75-H79 WeakPolarHBondContact O-CB 3.25Å; K75-H79 PolarHBondContact O-N 2.58Å
76I62.3Low77.5Confident122 Ų12258.5 Ų58.563%0.62632%0.316SS*.Hα-helixtrans-68.5-42.5178.7-60.2170.6000110.5S74 H79 N80S74-I76 PolarHBondContact O-N 3.24Å; I76-H79 WeakPolarHBondContact O-CB 3.36Å; I76-H79 PolarHBondContact O-N 2.93Å; I76-N80 VanDerWaalsContact O-CG 3.28Å; I76-N80 PolarHBondContact O-N 2.96Å; I76-N80 PolarHBondContact O-ND2 2.73Å
77Q66.4Low77Confident30 Ų3061 Ų6114%0.1434%0.338CS..Hα-helixtrans-63.5-44.5176.1-72.1169.7-27.200111.7L73 S74 H79 N80 I81L73-Q77 VanDerWaalsContact CA-OE1 3.28Å; L73-Q77 HydrophobicContact CB-CB 4Å; S74-Q77 WeakPolarHBondContact O-CB 3.41Å; S74-Q77 PolarHBondContact O-N 3.38Å; S74-Q77 VanDerWaalsContact O-N 3.08Å; S74-Q77 WeakPolarHBondContact OG-CG 3.25Å; S74-Q77 PolarHBondContact OG-N 2.91Å; Q77-H79 VanDerWaalsContact C-N 3.3Å; Q77-H79 PolarHBondContact O-N 3Å; Q77-N80 PolarHBondContact O-N 3.08Å; Q77-I81 WeakPolarHBondContact O-CG1 3.07Å; Q77-I81 PolarHBondContact O-N 2.99Å
78C74.1Confident76.8Confident14 Ų1463.2 Ų63.210%0.09534%0.339CS..Hα-helixtrans-58.9-42.7173.4-67.90000111.6I68 S74 I81 R82I68-C78 HydrophobicContact CB-CB 4.45Å; I68-C78 HydrophobicContact CG2-CB 4.07Å; S74-C78 PolarHBondContact O-N 2.75Å; C78-I81 PolarHBondContact O-N 3.5Å; C78-R82 WeakPolarHBondContact O-CB 3.45Å; C78-R82 PolarHBondContact O-N 3.08Å
79H72.4Confident76.8Confident91 Ų9162.3 Ų62.342%0.42134%0.335SS..Hα-helixtrans-61.6-44.9176.3-175.891.7000112K75 I76 Q77 I81 R82 Q83K75-H79 WeakPolarHBondContact O-CB 3.25Å; K75-H79 PolarHBondContact O-N 2.58Å; I76-H79 WeakPolarHBondContact O-CB 3.36Å; I76-H79 PolarHBondContact O-N 2.93Å; Q77-H79 VanDerWaalsContact C-N 3.3Å; Q77-H79 PolarHBondContact O-N 3Å; H79-I81 PolarHBondContact O-N 3.25Å; H79-R82 PolarHBondContact CE1-NH2 3.05Å; H79-R82 VanDerWaalsContact CE1-NH2 3.34Å; H79-R82 WeakPolarHBondContact O-CB 3.49Å; H79-R82 PolarHBondContact O-N 2.88Å; H79-Q83 WeakPolarHBondContact O-CG 3.47Å; H79-Q83 PolarHBondContact O-N 3.2Å
80N71.3Confident76.8Confident80 Ų8063 Ų6343%0.42834%0.344SS..Hα-helixtrans-63.4-41.9178.6-71.7-20.2000112.3I76 Q77 R82 Q83 K84I76-N80 VanDerWaalsContact O-CG 3.28Å; I76-N80 PolarHBondContact O-N 2.96Å; I76-N80 PolarHBondContact O-ND2 2.73Å; Q77-N80 PolarHBondContact O-N 3.08Å; N80-R82 VanDerWaalsContact C-N 3.33Å; N80-Q83 PolarHBondContact O-N 3.33Å; N80-K84 WeakPolarHBondContact O-CG 2.81Å; N80-K84 PolarHBondContact O-N 3.01Å
81I80Confident76.9Confident19 Ų1968.1 Ų68.110%0.09737%0.365CS..Hα-helixtrans-62-45175-66.5167.3000110I68 L73 Q77 C78 H79 Q83 K84 L85 L105I68-I81 HydrophobicContact CD1-CG2 4.17Å; I68-I81 HydrophobicContact CG1-CG2 4.06Å; I68-I81 HydrophobicContact CG2-CB 4.31Å; I68-I81 HydrophobicContact CG2-CG2 4.16Å; L73-I81 HydrophobicContact CD1-CD1 3.45Å; L73-I81 VanDerWaalsContact CD1-CD1 3.45Å; Q77-I81 WeakPolarHBondContact O-CG1 3.07Å; Q77-I81 PolarHBondContact O-N 2.99Å; C78-I81 PolarHBondContact O-N 3.5Å; H79-I81 PolarHBondContact O-N 3.25Å; I81-Q83 PolarHBondContact O-N 3.18Å; I81-K84 PolarHBondContact O-N 3.49Å; I81-L85 HydrophobicContact CG2-CD1 4Å; I81-L85 PolarHBondContact O-N 3.4Å; I81-L105 HydrophobicContact CG2-CD1 3.66Å
82R84.8Confident77.5Confident65 Ų6562.9 Ų62.925%0.24533%0.332CS..Hα-helixtrans-57.5-48.9176.5-173-172.773.2106.8-0.5111.4I66 I68 C78 H79 N80 K84 L85 M86I66-R82 VanDerWaalsContact O-CD 3.28Å; I66-R82 WeakPolarHBondContact O-CD 3.46Å; I66-R82 VanDerWaalsContact O-CG 3.28Å; I66-R82 WeakPolarHBondContact O-CG 3.41Å; I68-R82 HydrophobicContact CB-CB 4.33Å; I68-R82 HydrophobicContact CG1-CB 3.81Å; I68-R82 HydrophobicContact CG1-CG 4.4Å; C78-R82 WeakPolarHBondContact O-CB 3.45Å; C78-R82 PolarHBondContact O-N 3.08Å; H79-R82 PolarHBondContact CE1-NH2 3.05Å; H79-R82 VanDerWaalsContact CE1-NH2 3.34Å; H79-R82 WeakPolarHBondContact O-CB 3.49Å; H79-R82 PolarHBondContact O-N 2.88Å; N80-R82 VanDerWaalsContact C-N 3.33Å; R82-K84 VanDerWaalsContact C-N 3.35Å; R82-K84 PolarHBondContact O-N 2.94Å; R82-L85 PolarHBondContact O-N 3.08Å; R82-M86 HydrophobicContact CG-SD 4.21Å; R82-M86 VanDerWaalsContact O-CG 3.32Å; R82-M86 WeakPolarHBondContact O-CG 3.31Å; R82-M86 PolarHBondContact O-N 3.12Å
83Q76.4Confident78.4Confident82 Ų8264.3 Ų64.338%0.38333%0.334SS..Hα-helixtrans-60.8-42.8179.4-70-55.2-82.200112.3H79 N80 I81 L85 M86 A87H79-Q83 WeakPolarHBondContact O-CG 3.47Å; H79-Q83 PolarHBondContact O-N 3.2Å; N80-Q83 PolarHBondContact O-N 3.33Å; I81-Q83 PolarHBondContact O-N 3.18Å; Q83-L85 PolarHBondContact O-N 3.2Å; Q83-M86 PolarHBondContact O-N 3.18Å; Q83-A87 WeakPolarHBondContact O-CB 3.46Å; Q83-A87 PolarHBondContact O-N 3.29Å
84K79.1Confident79.1Confident60 Ų6068.8 Ų68.826%0.26136%0.358SS..Hα-helixtrans-63.9-41.9177.4-74.2175.8173.2174.90112.9N80 I81 R82 A87 R88 W108N80-K84 WeakPolarHBondContact O-CG 2.81Å; N80-K84 PolarHBondContact O-N 3.01Å; I81-K84 PolarHBondContact O-N 3.49Å; R82-K84 VanDerWaalsContact C-N 3.35Å; R82-K84 PolarHBondContact O-N 2.94Å; K84-A87 PolarHBondContact O-N 2.94Å; K84-R88 WeakPolarHBondContact O-CB 3.49Å; K84-R88 PolarHBondContact O-N 3.27Å; K84-W108 HydrophobicContact CD-CE3 4.43Å; K84-W108 HydrophobicContact CD-CH2 3.68Å; K84-W108 HydrophobicContact CD-CZ2 4.01Å; K84-W108 HydrophobicContact CD-CZ3 3.84Å; K84-W108 VanDerWaalsContact NZ-CZ3 3.27Å
85L85.9Confident80Confident2 Ų272.1 Ų72.11%0.0137%0.367CS..Hα-helixtrans-65.9-39.4175.6-76.7169000112I66 I68 I81 R82 Q83 R88 A89 L101 Y104 L105I66-L85 HydrophobicContact CD1-CB 3.72Å; I66-L85 HydrophobicContact CG2-CB 4.38Å; I66-L85 HydrophobicContact CG2-CD1 4.19Å; I68-L85 HydrophobicContact CD1-CD1 3.66Å; I68-L85 HydrophobicContact CG1-CD1 4.37Å; I81-L85 HydrophobicContact CG2-CD1 4Å; I81-L85 PolarHBondContact O-N 3.4Å; R82-L85 PolarHBondContact O-N 3.08Å; Q83-L85 PolarHBondContact O-N 3.2Å; L85-R88 PolarHBondContact O-N 2.9Å; L85-A89 WeakPolarHBondContact O-CB 3.25Å; L85-A89 PolarHBondContact O-N 2.94Å; L85-L101 HydrophobicContact CD2-CB 4.3Å; L85-L101 HydrophobicContact CD2-CD2 4.3Å; L85-L101 WeakPolarHBondContact CD2-O 3.22Å; L85-Y104 HydrophobicContact CD2-CD1 3.94Å; L85-L105 HydrophobicContact CD1-CD1 4.27Å; L85-L105 HydrophobicContact CD2-CB 4.31Å
86M85Confident81Confident67 Ų6765.4 Ų65.433%0.3334%0.343SS..Hα-helixtrans-65.8-43.8176-72.6-176.471.700112.1I66 R82 Q83 R88 A89 A90I66-M86 HydrophobicContact CB-CG 4.33Å; I66-M86 HydrophobicContact CD1-CG 4.21Å; I66-M86 HydrophobicContact CG1-CG 4.36Å; R82-M86 HydrophobicContact CG-SD 4.21Å; R82-M86 VanDerWaalsContact O-CG 3.32Å; R82-M86 WeakPolarHBondContact O-CG 3.31Å; R82-M86 PolarHBondContact O-N 3.12Å; Q83-M86 PolarHBondContact O-N 3.18Å; M86-R88 VanDerWaalsContact C-N 3.29Å; M86-R88 PolarHBondContact O-N 3.25Å; M86-A89 PolarHBondContact O-N 3.38Å; M86-A90 PolarHBondContact O-N 3.16Å; M86-A90 VanDerWaalsContact O-N 3.09Å
87A81.4Confident82.4Confident54 Ų5459.6 Ų59.645%0.44631%0.314SS..Hα-helixtrans-59-44.3174.300000110.7Q83 K84 A89 A90 E91Q83-A87 WeakPolarHBondContact O-CB 3.46Å; Q83-A87 PolarHBondContact O-N 3.29Å; K84-A87 PolarHBondContact O-N 2.94Å; A87-A89 PolarHBondContact O-N 3.19Å; A87-A90 WeakPolarHBondContact O-CB 3.5Å; A87-A90 PolarHBondContact O-N 2.86Å; A87-E91 PolarHBondContact O-N 2.73Å
88R85Confident83.6Confident92 Ų9258.2 Ų58.235%0.34731%0.307SS..Hα-helixtrans-63.6-41.5177.1-173.656.6178.7170.84.7112.7K84 L85 M86 A90 E91 L92 L101 Y104K84-R88 WeakPolarHBondContact O-CB 3.49Å; K84-R88 PolarHBondContact O-N 3.27Å; L85-R88 PolarHBondContact O-N 2.9Å; M86-R88 VanDerWaalsContact C-N 3.29Å; M86-R88 PolarHBondContact O-N 3.25Å; R88-A90 PolarHBondContact O-N 3Å; R88-E91 IonicContact CZ-OE2 3.87Å; R88-E91 IonicContact NH1-OE2 3.84Å; R88-E91 PolarHBondContact NH1-OE2 3.27Å; R88-E91 PolarHBondContact O-N 3.43Å; R88-L92 HydrophobicContact CG-CD1 4.39Å; R88-L92 WeakPolarHBondContact O-CG 3.4Å; R88-L92 PolarHBondContact O-N 3.43Å; R88-L101 HydrophobicContact CB-CD2 4.17Å; R88-L101 HydrophobicContact CG-CD2 4.1Å; R88-Y104 HydrophobicContact CG-CD2 4.48Å
89A89.4Confident84.2Confident3 Ų360.2 Ų60.23%0.02532%0.317CS..Hα-helixtrans-61.5-33.3176.700000112.3P63 L85 M86 A87 M97 L101P63-A89 HydrophobicContact CB-CB 3.87Å; L85-A89 WeakPolarHBondContact O-CB 3.25Å; L85-A89 PolarHBondContact O-N 2.94Å; M86-A89 PolarHBondContact O-N 3.38Å; A87-A89 PolarHBondContact O-N 3.19Å; A89-M97 HydrophobicContact CB-SD 4Å; A89-L101 HydrophobicContact CB-CD1 4.07Å; A89-L101 HydrophobicContact CB-CD2 4.06Å
90A86.2Confident84.9Confident79 Ų7960 Ų6065%0.65332%0.316SS*.Hα-helixtrans-72.9-24.2177.100000113.9M86 A87 R88M86-A90 PolarHBondContact O-N 3.16Å; M86-A90 VanDerWaalsContact O-N 3.09Å; A87-A90 WeakPolarHBondContact O-CB 3.5Å; A87-A90 PolarHBondContact O-N 2.86Å; R88-A90 PolarHBondContact O-N 3Å
91E85.4Confident85.7Confident133 Ų13356.2 Ų56.262%0.62130%0.296SS*.Hα-helixtrans-84-19.8177.1-68.1172.5-179.800113.4A87 R88A87-E91 PolarHBondContact O-N 2.73Å; R88-E91 IonicContact CZ-OE2 3.87Å; R88-E91 IonicContact NH1-OE2 3.84Å; R88-E91 PolarHBondContact NH1-OE2 3.27Å; R88-E91 PolarHBondContact O-N 3.43Å
92L86.1Confident86Confident17 Ų1755.3 Ų55.39%0.08929%0.291CS..SBendtrans-77.6148.9-176.8-70.5170.4000110.5R88 M97 Q100 L101R88-L92 HydrophobicContact CG-CD1 4.39Å; R88-L92 WeakPolarHBondContact O-CG 3.4Å; R88-L92 PolarHBondContact O-N 3.43Å; L92-M97 HydrophobicContact CB-CB 4.46Å; L92-M97 HydrophobicContact CB-CE 4.36Å; L92-M97 HydrophobicContact CB-SD 4.42Å; L92-M97 HydrophobicContact CD1-CB 3.89Å; L92-M97 HydrophobicContact CD1-SD 4.5Å; L92-Q100 HydrophobicContact CD1-CB 4.14Å; L92-L101 HydrophobicContact CD1-CD2 4.18Å; L92-L101 HydrophobicContact CD1-CG 4.45Å
93P85Confident85.8Confident72 Ų7256.4 Ų56.447%0.46830%0.299SS..  trans-58.1155.917227.1-34.2000110E95 M97P93-E95 HydrophobicContact CB-CG 4.42Å; P93-E95 PolarHBondContact O-N 3.22Å; P93-M97 WeakPolarHBondContact O-CE 3.41Å
94L86.4Confident86Confident113 Ų11354.9 Ų54.959%0.59229%0.29SS*.SBendtrans-73.358.2178.2-61.7179.7000111.7P60P60-L94 CarbonylContact O-C 3.55Å
95E88.8Confident86Confident125 Ų12552.1 Ų52.158%0.58428%0.278SS*.SBendtrans-126.5163.6179.3-70-175.8177.400108.7P60 P93 M97P60-E95 VanDerWaalsContact CB-C 3.47Å; P93-E95 HydrophobicContact CB-CG 4.42Å; P93-E95 PolarHBondContact O-N 3.22Å; E95-M97 WeakPolarHBondContact O-CE 3.43Å; E95-M97 PolarHBondContact O-N 2.96Å; E95-M97 VanDerWaalsContact O-N 3.12Å
96P89.4Confident85.4Confident53 Ų5355.2 Ų55.234%0.34429%0.292SS..  trans-52.8119.9174.5-24.234.8000111.1A4 E8 Y59 P60A4-P96 HydrophobicContact CB-CG 4.03Å; E8-P96 HydrophobicContact CB-CB 3.87Å; E8-P96 HydrophobicContact CG-CB 3.94Å; E8-P96 WeakPolarHBondContact OE1-CB 3.45Å; E8-P96 WeakPolarHBondContact OE2-CB 3.39Å; Y59-P96 WeakPolarHBondContact OH-CA 3.25Å; P60-P96 HydrophobicContact CG-CG 4.26Å
97M92.6Very high84.4Confident1 Ų160 Ų601%0.00531%0.307CS..  trans-127.4-0.9-165.563.9179.771.400114.6E8 Y59 P63 A89 L92 P93 E95 L99 Q100 L101E8-M97 PolarHBondContact OE1-N 3.47Å; Y59-M97 HydrophobicContact CE2-CG 4.08Å; Y59-M97 PolarHBondContact OH-N 2.82Å; P63-M97 HydrophobicContact CB-SD 4.47Å; A89-M97 HydrophobicContact CB-SD 4Å; L92-M97 HydrophobicContact CB-CB 4.46Å; L92-M97 HydrophobicContact CB-CE 4.36Å; L92-M97 HydrophobicContact CB-SD 4.42Å; L92-M97 HydrophobicContact CD1-CB 3.89Å; L92-M97 HydrophobicContact CD1-SD 4.5Å; P93-M97 WeakPolarHBondContact O-CE 3.41Å; E95-M97 WeakPolarHBondContact O-CE 3.43Å; E95-M97 PolarHBondContact O-N 2.96Å; E95-M97 VanDerWaalsContact O-N 3.12Å; M97-L99 VanDerWaalsContact C-N 3.33Å; M97-L99 PolarHBondContact O-N 3.34Å; M97-Q100 PolarHBondContact O-N 3.5Å; M97-L101 HydrophobicContact CG-CD1 4.11Å; M97-L101 WeakPolarHBondContact O-CG 3.44Å; M97-L101 PolarHBondContact O-N 3.34Å; M97-L101 VanDerWaalsContact O-N 3.08Å; M97-L101 HydrophobicContact SD-CD1 4.36Å
98L90.9Very high83.5Confident0 Ų060.2 Ų60.20%030%0.296CS..Hα-helixtrans-60.3-41.7-176.1-75.4-179000112.1E8 V9 L12 V35 F53 L55 P64 Q100 L101 V102E8-L98 HydrophobicContact CG-CB 4.49Å; E8-L98 WeakPolarHBondContact OE1-CB 3.44Å; E8-L98 PolarHBondContact OE1-N 3.48Å; V9-L98 HydrophobicContact CG2-CD1 4.25Å; L12-L98 HydrophobicContact CD1-CB 3.48Å; L12-L98 VanDerWaalsContact CD1-CB 3.48Å; L12-L98 HydrophobicContact CD1-CD1 3.91Å; L12-L98 HydrophobicContact CD1-CG 4.38Å; V35-L98 HydrophobicContact CG2-CD1 3.89Å; F53-L98 HydrophobicContact CB-CD2 3.76Å; F53-L98 HydrophobicContact CD1-CD2 3.62Å; F53-L98 HydrophobicContact CD2-CD2 4.14Å; F53-L98 HydrophobicContact CE1-CD2 4.22Å; F53-L98 HydrophobicContact CG-CD2 3.57Å; L55-L98 HydrophobicContact CD1-CD1 3.93Å; L55-L98 HydrophobicContact CD2-CD1 4.08Å; L55-L98 HydrophobicContact CD2-CD2 4.05Å; L55-L98 HydrophobicContact CD2-CG 4.25Å; P64-L98 HydrophobicContact CG-CD2 4.32Å; L98-Q100 VanDerWaalsContact C-N 3.3Å; L98-Q100 PolarHBondContact O-N 3.43Å; L98-L101 PolarHBondContact O-N 2.89Å; L98-V102 WeakPolarHBondContact O-CB 3.42Å; L98-V102 VanDerWaalsContact O-CG2 3.25Å; L98-V102 WeakPolarHBondContact O-CG2 3.34Å; L98-V102 PolarHBondContact O-N 3.32Å
99L86.9Confident81.9Confident57 Ų5756.3 Ų56.330%0.29828%0.283SS..Hα-helixtrans-57.7-46.2178.1-178.459.7000111.1L12 I15 Y16 M97 L101 V102 E103L12-L99 HydrophobicContact CD2-CB 3.91Å; L12-L99 HydrophobicContact CD2-CD1 3.74Å; L12-L99 HydrophobicContact CD2-CG 4.39Å; I15-L99 HydrophobicContact CD1-CD1 4.34Å; Y16-L99 HydrophobicContact CE2-CD1 4.14Å; M97-L99 VanDerWaalsContact C-N 3.33Å; M97-L99 PolarHBondContact O-N 3.34Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 PolarHBondContact O-N 3Å; L99-V102 PolarHBondContact O-N 3.05Å; L99-E103 HydrophobicContact CD1-CG 4.27Å; L99-E103 HydrophobicContact CG-CG 4.47Å; L99-E103 WeakPolarHBondContact O-CB 3.28Å; L99-E103 WeakPolarHBondContact O-CG 3.33Å; L99-E103 PolarHBondContact O-N 2.94Å
100Q86.1Confident80Confident87 Ų8760.2 Ų60.241%0.40731%0.307SS..Hα-helixtrans-64.5-39.3-179.3-62.9173.6-47.900111.6L92 M97 L98 Y104L92-Q100 HydrophobicContact CD1-CB 4.14Å; M97-Q100 PolarHBondContact O-N 3.5Å; L98-Q100 VanDerWaalsContact C-N 3.3Å; L98-Q100 PolarHBondContact O-N 3.43Å; Q100-Y104 VanDerWaalsContact O-CB 3.25Å; Q100-Y104 WeakPolarHBondContact O-CB 3.41Å; Q100-Y104 PolarHBondContact O-N 3.29Å
101L89.2Confident77.9Confident0 Ų061.1 Ų61.10%030%0.302CS..Hα-helixtrans-66.9-40.1176.2-66.3175.7000111.8F53 P64 I66 L85 R88 A89 L92 M97 L98 L99 Y104 L105F53-L101 HydrophobicContact CD1-CD1 4.45Å; F53-L101 HydrophobicContact CE1-CB 4.11Å; F53-L101 HydrophobicContact CE1-CD1 3.98Å; F53-L101 HydrophobicContact CZ-CB 4.35Å; P64-L101 HydrophobicContact CG-CD1 3.96Å; I66-L101 HydrophobicContact CD1-CD1 4.27Å; L85-L101 HydrophobicContact CD2-CB 4.3Å; L85-L101 HydrophobicContact CD2-CD2 4.3Å; L85-L101 WeakPolarHBondContact CD2-O 3.22Å; R88-L101 HydrophobicContact CB-CD2 4.17Å; R88-L101 HydrophobicContact CG-CD2 4.1Å; A89-L101 HydrophobicContact CB-CD1 4.07Å; A89-L101 HydrophobicContact CB-CD2 4.06Å; L92-L101 HydrophobicContact CD1-CD2 4.18Å; L92-L101 HydrophobicContact CD1-CG 4.45Å; M97-L101 HydrophobicContact CG-CD1 4.11Å; M97-L101 WeakPolarHBondContact O-CG 3.44Å; M97-L101 PolarHBondContact O-N 3.34Å; M97-L101 VanDerWaalsContact O-N 3.08Å; M97-L101 HydrophobicContact SD-CD1 4.36Å; L98-L101 PolarHBondContact O-N 2.89Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 PolarHBondContact O-N 3Å; L101-Y104 WeakPolarHBondContact O-CB 3.37Å; L101-Y104 PolarHBondContact O-N 3.37Å; L101-L105 WeakPolarHBondContact O-CB 3.41Å; L101-L105 PolarHBondContact O-N 2.96Å
102V85.3Confident75.8Confident0 Ų056.4 Ų56.40%028%0.282CS..Hα-helixtrans-68-45.5177.3173.60000110.9Y16 F37 F53 L98 L99 Y104 L105 Q106Y16-V102 HydrophobicContact CE1-CG1 4.33Å; Y16-V102 HydrophobicContact CE2-CG1 4.05Å; Y16-V102 WeakPolarHBondContact OH-CG1 3.39Å; F37-V102 HydrophobicContact CB-CG2 4.41Å; F37-V102 HydrophobicContact CD1-CB 4.45Å; F37-V102 HydrophobicContact CD1-CG1 3.92Å; F37-V102 HydrophobicContact CD1-CG2 3.65Å; F37-V102 HydrophobicContact CD2-CG2 3.72Å; F37-V102 HydrophobicContact CE1-CB 4.49Å; F37-V102 HydrophobicContact CE1-CG1 4.23Å; F37-V102 HydrophobicContact CE1-CG2 3.68Å; F37-V102 HydrophobicContact CE2-CG2 3.74Å; F37-V102 HydrophobicContact CG-CG1 4.48Å; F37-V102 HydrophobicContact CG-CG2 3.66Å; F37-V102 HydrophobicContact CZ-CG2 3.73Å; F53-V102 HydrophobicContact CE2-CG2 4.25Å; F53-V102 HydrophobicContact CZ-CG2 4.41Å; L98-V102 WeakPolarHBondContact O-CB 3.42Å; L98-V102 VanDerWaalsContact O-CG2 3.25Å; L98-V102 WeakPolarHBondContact O-CG2 3.34Å; L98-V102 PolarHBondContact O-N 3.32Å; L99-V102 PolarHBondContact O-N 3.05Å; V102-Y104 VanDerWaalsContact C-N 3.27Å; V102-Y104 PolarHBondContact O-N 3.45Å; V102-L105 WeakPolarHBondContact O-CB 3.46Å; V102-L105 PolarHBondContact O-N 3.47Å; V102-Q106 HydrophobicContact CG1-CG 4.33Å; V102-Q106 WeakPolarHBondContact O-CB 3.28Å; V102-Q106 WeakPolarHBondContact O-CG 3.28Å; V102-Q106 PolarHBondContact O-N 3.39Å
103E80.4Confident73.4Confident87 Ų8757.8 Ų57.841%0.40729%0.289SS..Hα-helixtrans-61.6-36.6174.6-74.1-178.7167.200112.2L99 R107L99-E103 HydrophobicContact CD1-CG 4.27Å; L99-E103 HydrophobicContact CG-CG 4.47Å; L99-E103 WeakPolarHBondContact O-CB 3.28Å; L99-E103 WeakPolarHBondContact O-CG 3.33Å; L99-E103 PolarHBondContact O-N 2.94Å; E103-R107 VanDerWaalsContact O-CB 3.31Å; E103-R107 WeakPolarHBondContact O-CB 3.42Å; E103-R107 PolarHBondContact O-N 3.27Å
104Y81.8Confident71Confident51 Ų5163.5 Ų63.520%0.230%0.301CS..Hα-helixtrans-63.6-47.9174.1-172.1-94.5000110.9L85 R88 Q100 L101 V102 Q106 R107 W108L85-Y104 HydrophobicContact CD2-CD1 3.94Å; R88-Y104 HydrophobicContact CG-CD2 4.48Å; Q100-Y104 VanDerWaalsContact O-CB 3.25Å; Q100-Y104 WeakPolarHBondContact O-CB 3.41Å; Q100-Y104 PolarHBondContact O-N 3.29Å; L101-Y104 WeakPolarHBondContact O-CB 3.37Å; L101-Y104 PolarHBondContact O-N 3.37Å; V102-Y104 VanDerWaalsContact C-N 3.27Å; V102-Y104 PolarHBondContact O-N 3.45Å; Y104-Q106 PolarHBondContact O-N 3.49Å; Y104-R107 PolarHBondContact O-N 2.9Å; Y104-W108 AromaticContact CE1-CD1 3.81Å; Y104-W108 AromaticContact CE1-NE1 3.49Å; Y104-W108 AromaticContact CE2-NE1 3.9Å; Y104-W108 AromaticContact CZ-NE1 3.31Å; Y104-W108 VanDerWaalsContact CZ-NE1 3.31Å; Y104-W108 VanDerWaalsContact O-CD1 3.25Å; Y104-W108 PolarHBondContact O-N 3.46Å; Y104-W108 PolarHBondContact OH-NE1 3.09Å
105L79.2Confident68.7Low2 Ų260.5 Ų60.51%0.0129%0.29CS..Hα-helixtrans-60-46.2175.5179.360.8000111.9V49 A51 I81 L85 L101 V102 R107 W108 C109V49-L105 HydrophobicContact CG1-CD1 4.45Å; A51-L105 HydrophobicContact CB-CD2 3.62Å; I81-L105 HydrophobicContact CG2-CD1 3.66Å; L85-L105 HydrophobicContact CD1-CD1 4.27Å; L85-L105 HydrophobicContact CD2-CB 4.31Å; L101-L105 WeakPolarHBondContact O-CB 3.41Å; L101-L105 PolarHBondContact O-N 2.96Å; V102-L105 WeakPolarHBondContact O-CB 3.46Å; V102-L105 PolarHBondContact O-N 3.47Å; L105-R107 VanDerWaalsContact C-N 3.26Å; L105-R107 PolarHBondContact O-N 3.44Å; L105-W108 CarbonylContact O-C 3.55Å; L105-W108 WeakPolarHBondContact O-CA 3.32Å; L105-W108 WeakPolarHBondContact O-CB 3.42Å; L105-W108 PolarHBondContact O-N 3.37Å; L105-C109 PolarHBondContact O-N 3.35Å; L105-C109 PolarHBondContact O-SG 3.36Å; L105-C109 VanDerWaalsContact O-SG 3.33Å
106Q72.4Confident66.1Low66 Ų6660.4 Ų60.431%0.30829%0.29SS..Hα-helixtrans-65.3-27.2179.6-75.7179.3-8.200113.4V102 Y104 P110V102-Q106 HydrophobicContact CG1-CG 4.33Å; V102-Q106 WeakPolarHBondContact O-CB 3.28Å; V102-Q106 WeakPolarHBondContact O-CG 3.28Å; V102-Q106 PolarHBondContact O-N 3.39Å; Y104-Q106 PolarHBondContact O-N 3.49Å; Q106-P110 WeakPolarHBondContact O-CD 3.39Å; Q106-P110 WeakPolarHBondContact O-CG 3.36Å
107R65.4Low63.4Low168 Ų16866.4 Ų66.463%0.63431%0.313SS*.Hα-helixtrans-78.7-24.3173.6-176.3158.623.8160.2-6.7112.3E103 Y104 L105E103-R107 VanDerWaalsContact O-CB 3.31Å; E103-R107 WeakPolarHBondContact O-CB 3.42Å; E103-R107 PolarHBondContact O-N 3.27Å; Y104-R107 PolarHBondContact O-N 2.9Å; L105-R107 VanDerWaalsContact C-N 3.26Å; L105-R107 PolarHBondContact O-N 3.44Å
108W60.9Low60.4Low59 Ų5975 Ų7522%0.22335%0.353CS..Hα-helixtrans-78.8-34.1169.6-83.866.3000112.7K84 Y104 L105 D111 V112K84-W108 HydrophobicContact CD-CE3 4.43Å; K84-W108 HydrophobicContact CD-CH2 3.68Å; K84-W108 HydrophobicContact CD-CZ2 4.01Å; K84-W108 HydrophobicContact CD-CZ3 3.84Å; K84-W108 VanDerWaalsContact NZ-CZ3 3.27Å; Y104-W108 AromaticContact CE1-CD1 3.81Å; Y104-W108 AromaticContact CE1-NE1 3.49Å; Y104-W108 AromaticContact CE2-NE1 3.9Å; Y104-W108 AromaticContact CZ-NE1 3.31Å; Y104-W108 VanDerWaalsContact CZ-NE1 3.31Å; Y104-W108 VanDerWaalsContact O-CD1 3.25Å; Y104-W108 PolarHBondContact O-N 3.46Å; Y104-W108 PolarHBondContact OH-NE1 3.09Å; L105-W108 CarbonylContact O-C 3.55Å; L105-W108 WeakPolarHBondContact O-CA 3.32Å; L105-W108 WeakPolarHBondContact O-CB 3.42Å; L105-W108 PolarHBondContact O-N 3.37Å; W108-D111 PolarHBondContact O-N 3.19Å; W108-V112 HydrophobicContact CB-CG2 4.19Å; W108-V112 HydrophobicContact CD2-CG2 4.43Å; W108-V112 HydrophobicContact CE3-CG2 3.61Å; W108-V112 HydrophobicContact CZ3-CG2 4.29Å; W108-V112 WeakPolarHBondContact O-CB 3.43Å; W108-V112 WeakPolarHBondContact O-CG2 3.44Å; W108-V112 PolarHBondContact O-N 3.32Å; W108-V112 VanDerWaalsContact O-N 3.08Å
109C53Low57.4Low10 Ų1080.8 Ų80.87%0.06839%0.392CS..THydrogen-bonded Turntrans-60.2-34.7-175.4-79.20000116.2L105L105-C109 PolarHBondContact O-N 3.35Å; L105-C109 PolarHBondContact O-SG 3.36Å; L105-C109 VanDerWaalsContact O-SG 3.33Å
110P49.5Very low54.6Low84 Ų8484.5 Ų84.555%0.54542%0.417SS..THydrogen-bonded Turntrans-70.5-32.5175.6-23.531.4000113.8Q106Q106-P110 WeakPolarHBondContact O-CD 3.39Å; Q106-P110 WeakPolarHBondContact O-CG 3.36Å
111D40.9Very low51.7Low99 Ų9989.8 Ų89.853%0.52944%0.441SS..THydrogen-bonded Turntrans-101.7-16.4-170.3-87.2-38.8000115.3W108 L113 R164W108-D111 PolarHBondContact O-N 3.19Å; D111-L113 VanDerWaalsContact C-N 3.35Å; D111-L113 PolarHBondContact O-N 2.83Å; D111-R164 PolarHBondContact O-NH2 3.33Å
112V40.8Very low48.9Very low34 Ų3497.7 Ų97.721%0.20648%0.479CS..THydrogen-bonded Turntrans-76.3-15.2179.91700000113.4W108W108-V112 HydrophobicContact CB-CG2 4.19Å; W108-V112 HydrophobicContact CD2-CG2 4.43Å; W108-V112 HydrophobicContact CE3-CG2 3.61Å; W108-V112 HydrophobicContact CZ3-CG2 4.29Å; W108-V112 WeakPolarHBondContact O-CB 3.43Å; W108-V112 WeakPolarHBondContact O-CG2 3.44Å; W108-V112 PolarHBondContact O-N 3.32Å; W108-V112 VanDerWaalsContact O-N 3.08Å
113L36.9Very low46.2Very low46 Ų46104.5 Ų104.524%0.24152%0.52CS..THydrogen-bonded Turntrans-116.831.2-168.9-155.584.1000117L47 L73 D111L47-L113 HydrophobicContact CB-CD1 4.21Å; L47-L113 HydrophobicContact CB-CD2 3.4Å; L47-L113 HydrophobicContact CB-CG 4.28Å; L47-L113 HydrophobicContact CD1-CD1 3.41Å; L47-L113 VanDerWaalsContact CD1-CD1 3.41Å; L47-L113 HydrophobicContact CD1-CD2 4.25Å; L47-L113 HydrophobicContact CD1-CG 4.35Å; L47-L113 HydrophobicContact CD2-CB 3.92Å; L47-L113 HydrophobicContact CD2-CD1 3.58Å; L47-L113 HydrophobicContact CD2-CD2 3.89Å; L47-L113 HydrophobicContact CD2-CG 3.94Å; L47-L113 HydrophobicContact CG-CD1 3.88Å; L47-L113 HydrophobicContact CG-CD2 4.02Å; L47-L113 HydrophobicContact CG-CG 4.39Å; L73-L113 HydrophobicContact CD2-CD1 3.96Å; D111-L113 VanDerWaalsContact C-N 3.35Å; D111-L113 PolarHBondContact O-N 2.83Å
114W34Very low43.9Very low191 Ų191108.2 Ų108.272%0.72354%0.538SS*.SBendtrans-118.3-3.1170.6-168.1-106.8000114.7
115S38.2Very low41.3Very low51 Ų51113.9 Ų113.936%0.35757%0.571SS.*SBendtrans-124.212.5-168.750.80000116.6Q168S115-Q168 PolarHBondContact OG-NE2 3.03Å
116Q35.4Very low39Very low123 Ų123122.4 Ų122.458%0.57561%0.611SS**SBendtrans-12911.6179.2-68.9-166.263.900116
117Q31.7Very low36.8Very low178 Ų178126.7 Ų126.783%0.83264%0.642SS**SBendtrans-9722.3-177.9-153.3130.435.900115.6
118E30.3Very low34.8Very low183 Ų183121.9 Ų121.986%0.85565%0.645SS**SBendtrans-142.287.1165.3-73.1-176.4170.400108.6
119C26.8Very low33.2Very low120 Ų120127.3 Ų127.381%0.81167%0.673SS**  trans177.273.2148.6-90.80000108.8
120V27.6Very low32.2Very low136 Ų136135 Ų13582%0.82471%0.708SS**  trans-12793.8150.2178.80000105.5
121E26.3Very low31Very low197 Ų197138.1 Ų138.192%0.92172%0.72SS**  trans-129.6123.8143.6-79.7-173.7171.100106.6
122Q30.5Very low30.2Very low167 Ų167136.7 Ų136.778%0.7873%0.728SS**  trans-63.9139.5179.1-62.5169.2-69.900109.7
123T28.1Very low29.7Very low142 Ų142142 Ų14287%0.87176%0.76SS**  trans-140.2113.4137.843.70000107.6
124E33.3Very low29.2Very low166 Ų166143 Ų14378%0.77678%0.782SS**  trans-56.7132.8159.3-61.4172.2155.700108.3
125D25.6Very low29.5Very low170 Ų170143.4 Ų143.491%0.90979%0.792SS**  trans-160.2130.6136-101.7-23.3000109.9
126Q31.6Very low29.2Very low181 Ų181149.8 Ų149.885%0.84682%0.816SS**  trans-91.5139.1-175.6-57.9175.119.500110.4
127T25.9Very low29.1Very low156 Ų156153.6 Ų153.696%0.95783%0.831SS**  trans168.1138.6141.5170000107.9
128G24.1Very low29.3Very low67 Ų67152.3 Ų152.369%0.69183%0.83SS**  cis173.6136.6-3.600000107.7
129E26.8Very low29.8Very low173 Ų173150.3 Ų150.381%0.80883%0.825SS**  trans61.9113.7151.7-63.4-175.6143.300121.5
130Q31.1Very low30.9Very low172 Ų172152.4 Ų152.480%0.80482%0.823SS**  95143.8104.8-82-166.930.900111.3
131D24.8Very low32.6Very low149 Ų149151 Ų15180%0.79781%0.807SS**  cis-166.9164.79.5173.329.2000105.4
132G24.6Very low35Very low68 Ų68144.4 Ų144.470%0.70178%0.776SS**  trans142.881.1163.900000117.8
133T31.1Very low37.6Very low145 Ų145138.4 Ų138.489%0.8975%0.747SS**  trans-34.6138.9159-31.60000115.5
134G25.2Very low40.2Very low68 Ų68131.7 Ų131.770%0.70171%0.706SS**  trans173.984.9167.700000112.6E136G134-E136 PolarHBondContact O-N 3.23Å
135E40.4Very low42.7Very low199 Ų199123.8 Ų123.893%0.9367%0.669SS**  trans-64.8106.5164-67.9179.3154.300108.8
136E32.1Very low45.6Very low185 Ų185115.7 Ų115.786%0.86463%0.626SS**  trans-131.9126.9164.5-72.6-166.9166.500110.5G134 D138G134-E136 PolarHBondContact O-N 3.23Å; E136-D138 PolarHBondContact O-N 3.34Å
137K33.7Very low48.2Very low204 Ų204107.1 Ų107.189%0.88759%0.585SS**  trans-37.1118.9-178.7-67.5170.2176.8177.40112.9N139K137-N139 PolarHBondContact O-N 3.36Å
138D35.8Very low50.9Low151 Ų151100.6 Ų100.681%0.80755%0.545SS*.  trans-65.775.4173.3-16424.6000110.4E136E136-D138 PolarHBondContact O-N 3.34Å
139N40.1Very low53.9Low141 Ų14197.6 Ų97.675%0.75451%0.513SS*.  trans-73.2121.9155.4-102.33.7000105.9K137 Q141K137-N139 PolarHBondContact O-N 3.36Å; N139-Q141 PolarHBondContact O-N 3.23Å
140Q50Low56.3Low163 Ų16394.3 Ų94.376%0.76250%0.501SS*.  trans-59.771.4170.3-73.1156.6-9.100110.2E142Q140-E142 PolarHBondContact O-N 3.34Å
141Q64.1Low58.5Low107 Ų10788.9 Ų88.950%0.548%0.475SS..  trans-77.6120.1179.8-168.8163.917.100107N139 P225N139-Q141 PolarHBondContact O-N 3.23Å; Q141-P225 HydrophobicContact CG-CB 4.2Å; Q141-P225 VanDerWaalsContact NE2-CB 3.27Å
142E76.8Confident61.3Low58 Ų5883.3 Ų83.327%0.27145%0.445SS..EExtended strand (participates in β ladder)trans-68.6145.2171.2-68.5174.4172.200109.1Q140 Y226 Q231Q140-E142 PolarHBondContact O-N 3.34Å; E142-Y226 HydrophobicContact CB-CD1 4.2Å; E142-Y226 WeakPolarHBondContact O-CB 3.39Å; E142-Y226 PolarHBondContact O-N 3.19Å; E142-Y226 WeakPolarHBondContact OE2-CD1 3.49Å; E142-Q231 PolarHBondContact OE1-NE2 3.04Å
143W84Confident63.9Low41 Ų4185.3 Ų85.316%0.15543%0.432CS..EExtended strand (participates in β ladder)trans-122152.6179.7-7867.8000109.4L186 G187 R189 I192 E223W143-L186 WeakPolarHBondContact O-CA 3.46Å; W143-G187 PolarHBondContact N-O 3.25Å; W143-G187 PolarHBondContact O-N 3.01Å; W143-R189 HydrophobicContact CB-CB 4.45Å; W143-R189 HydrophobicContact CD2-CB 4.15Å; W143-R189 HydrophobicContact CD2-CG 3.87Å; W143-R189 HydrophobicContact CE3-CG 4.36Å; W143-R189 HydrophobicContact CG-CB 3.81Å; W143-R189 HydrophobicContact CG-CG 4Å; W143-I192 HydrophobicContact CB-CD1 3.72Å; W143-I192 VanDerWaalsContact O-CD1 3.25Å; W143-I192 WeakPolarHBondContact O-CD1 2.81Å; W143-E223 HydrophobicContact CE3-CG 3.56Å; W143-E223 HydrophobicContact CZ3-CG 3.77Å
144T84.1Confident66.3Low1 Ų180.2 Ų80.21%0.00640%0.402CS..EExtended strand (participates in β ladder)trans-115.8132.9170-62.70000109.2I184 L185 L186 E223 T224 Y226 L257T144-I184 HydrophobicContact CG2-CG2 4.32Å; T144-L185 CarbonylContact C-O 3.56Å; T144-L185 VanDerWaalsContact CA-O 3.28Å; T144-L185 WeakPolarHBondContact CA-O 3.31Å; T144-L186 HydrophobicContact CG2-CG 4.35Å; T144-E223 WeakPolarHBondContact O-CA 3.3Å; T144-T224 PolarHBondContact N-O 3.06Å; T144-T224 PolarHBondContact O-N 3.06Å; T144-Y226 WeakPolarHBondContact OG1-CD2 3.4Å; T144-L257 HydrophobicContact CG2-CD1 3.82Å; T144-L257 HydrophobicContact CG2-CD2 3.99Å
145A85.8Confident69.1Low1 Ų181.1 Ų81.11%0.00839%0.388CS..EExtended strand (participates in β ladder)trans-127.2139.9170.600000111.2I184 L185 I192 A222A145-I184 WeakPolarHBondContact O-CA 3.44Å; A145-L185 HydrophobicContact CB-CB 4.49Å; A145-L185 PolarHBondContact N-O 3.46Å; A145-L185 PolarHBondContact O-N 2.81Å; A145-I192 HydrophobicContact CB-CD1 4.44Å; A145-I192 HydrophobicContact CB-CG2 3.52Å; A145-A222 VanDerWaalsContact CA-O 3.28Å; A145-A222 WeakPolarHBondContact CA-O 3.29Å
146V84.8Confident71Confident0 Ų076.9 Ų76.90%037%0.371CS..EExtended strand (participates in β ladder)trans-116.8123.7173.7-175.80000109.1L182 I183 I184 L221 A222 F252 L260 M264V146-L182 HydrophobicContact CG1-CD2 4.13Å; V146-I183 CarbonylContact C-O 3.58Å; V146-I183 WeakPolarHBondContact CA-O 3.35Å; V146-I184 HydrophobicContact CG1-CG1 4.5Å; V146-I184 HydrophobicContact CG2-CG1 4.35Å; V146-I184 HydrophobicContact CG2-CG2 4.39Å; V146-L221 HydrophobicContact CG1-CD1 4.41Å; V146-L221 PolarHBondContact O-N 2.81Å; V146-A222 PolarHBondContact N-O 2.64Å; V146-F252 HydrophobicContact CG1-CZ 4.25Å; V146-F252 HydrophobicContact CG2-CE1 4.12Å; V146-F252 HydrophobicContact CG2-CZ 4.45Å; V146-L260 HydrophobicContact CB-CD2 4.39Å; V146-L260 HydrophobicContact CG2-CD2 3.55Å; V146-M264 HydrophobicContact CB-CE 4.11Å; V146-M264 HydrophobicContact CB-SD 3.65Å; V146-M264 HydrophobicContact CG1-CE 3.77Å; V146-M264 HydrophobicContact CG1-SD 3.66Å; V146-M264 HydrophobicContact CG2-CE 4.08Å; V146-M264 HydrophobicContact CG2-SD 4.09Å
147L87.3Confident73.3Confident0 Ų071.4 Ų71.40%034%0.343CS..EExtended strand (participates in β ladder)trans-112.8134.1-178-45.4178.4000109.5L182 I183 L185 F195 L199 K219 V220L147-L182 CarbonylContact O-C 3.6Å; L147-L182 VanDerWaalsContact O-CA 3.29Å; L147-L182 WeakPolarHBondContact O-CA 3.49Å; L147-L182 WeakPolarHBondContact O-CD2 3.35Å; L147-I183 HydrophobicContact CB-CB 4.14Å; L147-I183 HydrophobicContact CD1-CB 4.31Å; L147-I183 HydrophobicContact CD1-CG2 4.5Å; L147-I183 HydrophobicContact CG-CB 4.44Å; L147-I183 PolarHBondContact N-O 3.45Å; L147-I183 PolarHBondContact O-N 2.98Å; L147-L185 HydrophobicContact CD1-CD1 3.85Å; L147-L185 HydrophobicContact CG-CD1 4.49Å; L147-F195 HydrophobicContact CD1-CD1 4.46Å; L147-L199 HydrophobicContact CD1-CD2 4.35Å; L147-K219 CarbonylContact C-O 3.55Å; L147-K219 WeakPolarHBondContact CA-O 3.33Å; L147-V220 HydrophobicContact CD2-CB 4.23Å; L147-V220 HydrophobicContact CD2-CG1 4.18Å; L147-V220 HydrophobicContact CD2-CG2 3.79Å
148L83.1Confident75.7Confident19 Ų1961.7 Ų61.710%0.09930%0.3CS..EExtended strand (participates in β ladder)trans-101.1129170.8176.564.7000110N180 L182 M218 K219 L221 L268L148-N180 HydrophobicContact CD1-CB 3.83Å; L148-L182 HydrophobicContact CB-CD2 4.07Å; L148-L182 HydrophobicContact CD1-CD2 3.85Å; L148-L182 HydrophobicContact CD1-CG 4.5Å; L148-M218 VanDerWaalsContact O-CA 3.32Å; L148-M218 WeakPolarHBondContact O-CA 3.28Å; L148-K219 HydrophobicContact CB-CB 4.4Å; L148-K219 PolarHBondContact N-O 2.66Å; L148-K219 PolarHBondContact O-N 3.1Å; L148-L221 HydrophobicContact CB-CD1 3.82Å; L148-L221 HydrophobicContact CB-CD2 3.92Å; L148-L221 HydrophobicContact CB-CG 3.74Å; L148-L221 HydrophobicContact CD2-CD2 4.09Å; L148-L268 HydrophobicContact CD1-CD2 4.17Å
149L85.7Confident78.1Confident4 Ų455.8 Ų55.82%0.02127%0.269CS..  trans-103.5153.5173.8-48.9176.4000109.5I152 Y158 L175 P181 I183 L199 M218L149-I152 HydrophobicContact CD1-CD1 3.84Å; L149-I152 HydrophobicContact CD1-CG1 4.02Å; L149-Y158 HydrophobicContact CD1-CE1 3.72Å; L149-Y158 WeakPolarHBondContact CD1-OH 3.49Å; L149-Y158 WeakPolarHBondContact CD2-OH 3.16Å; L149-L175 HydrophobicContact CD1-CD1 4.48Å; L149-P181 HydrophobicContact CB-CB 4.14Å; L149-P181 WeakPolarHBondContact CB-O 3.23Å; L149-P181 HydrophobicContact CD1-CB 4.19Å; L149-P181 PolarHBondContact N-O 3.38Å; L149-I183 HydrophobicContact CD1-CD1 3.88Å; L149-I183 HydrophobicContact CD1-CG1 3.99Å; L149-I183 HydrophobicContact CD2-CD1 4.11Å; L149-I183 HydrophobicContact CG-CD1 4.34Å; L149-I183 HydrophobicContact CG-CG1 4.43Å; L149-L199 HydrophobicContact CD2-CD2 3.7Å; L149-M218 HydrophobicContact CD2-CB 3.95Å
150D78.6Confident80.1Confident105 Ų10556.4 Ų56.456%0.56126%0.261SS*.SBendtrans-77.8-52.9176.6-175.543.1000110.6
151H77.1Confident81.8Confident57 Ų5750.5 Ų50.526%0.26423%0.234SC..  trans-157.6159.5177.253.3-92.6000110.5R153 D205H151-R153 PolarHBondContact CE1-NH2 3.38Å; H151-R153 PolarHBondContact NE2-NH1 2.85Å; H151-R153 PolarHBondContact NE2-NH2 2.92Å; H151-D205 IonicContact CD2-OD2 3.41Å
152I82.3Confident83Confident32 Ų3245.4 Ų45.416%0.16421%0.21CC..  trans-121.4107.8168.7-61.7171.3000107.2L149 Q155 Y158 L175 L177 P181L149-I152 HydrophobicContact CD1-CD1 3.84Å; L149-I152 HydrophobicContact CD1-CG1 4.02Å; I152-Q155 HydrophobicContact CG2-CB 4.39Å; I152-Y158 HydrophobicContact CD1-CD1 3.78Å; I152-Y158 HydrophobicContact CD1-CE1 3.77Å; I152-Y158 HydrophobicContact CD1-CG 4.42Å; I152-Y158 HydrophobicContact CG1-CD1 4.13Å; I152-Y158 HydrophobicContact CG1-CE1 4.05Å; I152-Y158 HydrophobicContact CG1-CE2 4.5Å; I152-Y158 HydrophobicContact CG1-CG 4.38Å; I152-Y158 HydrophobicContact CG2-CD1 4.19Å; I152-Y158 HydrophobicContact CG2-CD2 4.16Å; I152-Y158 HydrophobicContact CG2-CG 3.8Å; I152-L175 HydrophobicContact CD1-CD1 4.04Å; I152-L175 HydrophobicContact CD1-CD2 4.48Å; I152-L177 HydrophobicContact CD1-CD2 3.66Å; I152-P181 HydrophobicContact CD1-CB 3.83Å; I152-P181 HydrophobicContact CD1-CG 4.33Å; I152-P181 HydrophobicContact CG1-CB 4.22Å; I152-P181 HydrophobicContact CG1-CG 4.28Å
153R79.8Confident83.4Confident111 Ų11146.1 Ų46.142%0.41921%0.213SC..SBendtrans-83.3-32.9178.2-66.4-161.7-175.687.55.6112.5H151 D205 V206 D207 S208H151-R153 PolarHBondContact CE1-NH2 3.38Å; H151-R153 PolarHBondContact NE2-NH1 2.85Å; H151-R153 PolarHBondContact NE2-NH2 2.92Å; R153-D205 PolarHBondContact N-OD1 3.17Å; R153-D205 PolarHBondContact N-OD2 2.95Å; R153-V206 HydrophobicContact CB-CG2 3.56Å; R153-V206 WeakPolarHBondContact CD-O 3.36Å; R153-V206 PolarHBondContact NH1-O 3.19Å; R153-D207 WeakPolarHBondContact CD-O 3.37Å; R153-S208 VanDerWaalsContact CZ-N 3.29Å
154S81.4Confident83.2Confident37 Ų3747 Ų4726%0.25922%0.217SC..  trans-116.269.6-178.5-162.50000112.4N156 R157 Y158 D205S154-N156 PolarHBondContact O-N 3.26Å; S154-R157 PolarHBondContact O-N 3.26Å; S154-R157 WeakPolarHBondContact OG-CB 3.44Å; S154-Y158 WeakPolarHBondContact O-CB 3.24Å; S154-Y158 PolarHBondContact O-N 2.88Å; S154-D205 WeakPolarHBondContact CB-OD1 3.49Å; S154-D205 PolarHBondContact N-OD1 3.44Å
155Q83.5Confident83.3Confident88 Ų8847.3 Ų47.341%0.41122%0.218SC..Hα-helixtrans-46.8-54.4-174.4-175.4-179.4-8.500113.9I152 R157 Y158 I159 L177I152-Q155 HydrophobicContact CG2-CB 4.39Å; Q155-R157 VanDerWaalsContact C-N 3.32Å; Q155-R157 PolarHBondContact O-N 2.81Å; Q155-Y158 WeakPolarHBondContact O-CB 3.3Å; Q155-Y158 PolarHBondContact O-N 2.8Å; Q155-I159 HydrophobicContact CG-CD1 3.55Å; Q155-I159 HydrophobicContact CG-CG1 4.29Å; Q155-I159 WeakPolarHBondContact O-CB 3.44Å; Q155-I159 VanDerWaalsContact O-CG1 3.23Å; Q155-I159 WeakPolarHBondContact O-CG1 3.29Å; Q155-I159 PolarHBondContact O-N 3.3Å; Q155-L177 HydrophobicContact CG-CD1 4.06Å
156N80.3Confident83.2Confident109 Ų10947.3 Ų47.358%0.58322%0.218SC*.Hα-helixtrans-62.4-36.5-177.9-74.4-28.7000113.7S154 R160S154-N156 PolarHBondContact O-N 3.26Å; N156-R160 WeakPolarHBondContact O-CG 3.13Å; N156-R160 VanDerWaalsContact O-CZ 3.29Å; N156-R160 PolarHBondContact O-N 3.2Å; N156-R160 PolarHBondContact O-NE 3.19Å
157R81.4Confident82.8Confident70 Ų7053.2 Ų53.226%0.26425%0.246SC..Hα-helixtrans-73.1-41178.4-177.9177.5175.2-135-14.9110.4S154 Q155 L161 K203 D205S154-R157 PolarHBondContact O-N 3.26Å; S154-R157 WeakPolarHBondContact OG-CB 3.44Å; Q155-R157 VanDerWaalsContact C-N 3.32Å; Q155-R157 PolarHBondContact O-N 2.81Å; R157-L161 WeakPolarHBondContact O-CB 3.5Å; R157-L161 PolarHBondContact O-N 2.8Å; R157-K203 PolarHBondContact NH2-O 2.71Å; R157-D205 PolarHBondContact NH1-O 3.48Å
158Y84.4Confident82.3Confident0 Ų055 Ų550%025%0.254CS..Hα-helixtrans-62.9-53.7179.3-157.1-91.5000110.8L149 I152 S154 Q155 R160 L161 L162 I183 V204 D205 E215L149-Y158 HydrophobicContact CD1-CE1 3.72Å; L149-Y158 WeakPolarHBondContact CD1-OH 3.49Å; L149-Y158 WeakPolarHBondContact CD2-OH 3.16Å; I152-Y158 HydrophobicContact CD1-CD1 3.78Å; I152-Y158 HydrophobicContact CD1-CE1 3.77Å; I152-Y158 HydrophobicContact CD1-CG 4.42Å; I152-Y158 HydrophobicContact CG1-CD1 4.13Å; I152-Y158 HydrophobicContact CG1-CE1 4.05Å; I152-Y158 HydrophobicContact CG1-CE2 4.5Å; I152-Y158 HydrophobicContact CG1-CG 4.38Å; I152-Y158 HydrophobicContact CG2-CD1 4.19Å; I152-Y158 HydrophobicContact CG2-CD2 4.16Å; I152-Y158 HydrophobicContact CG2-CG 3.8Å; S154-Y158 WeakPolarHBondContact O-CB 3.24Å; S154-Y158 PolarHBondContact O-N 2.88Å; Q155-Y158 WeakPolarHBondContact O-CB 3.3Å; Q155-Y158 PolarHBondContact O-N 2.8Å; Y158-R160 PolarHBondContact O-N 3.1Å; Y158-L161 WeakPolarHBondContact O-CB 3.12Å; Y158-L161 PolarHBondContact O-N 2.82Å; Y158-L162 HydrophobicContact CD1-CD1 3.81Å; Y158-L162 HydrophobicContact CD1-CD2 4.28Å; Y158-L162 HydrophobicContact CD1-CG 3.86Å; Y158-L162 HydrophobicContact CE1-CD1 3.6Å; Y158-L162 HydrophobicContact CE1-CD2 3.94Å; Y158-L162 HydrophobicContact CE1-CG 3.88Å; Y158-L162 WeakPolarHBondContact O-CG 3.23Å; Y158-L162 PolarHBondContact O-N 2.94Å; Y158-I183 HydrophobicContact CE1-CD1 4.48Å; Y158-V204 HydrophobicContact CD2-CB 4.18Å; Y158-V204 HydrophobicContact CD2-CG2 4.07Å; Y158-V204 HydrophobicContact CE2-CB 3.98Å; Y158-V204 HydrophobicContact CE2-CG2 3.44Å; Y158-V204 VanDerWaalsContact CE2-CG2 3.44Å; Y158-D205 HydrophobicContact CD2-CB 4.07Å; Y158-D205 HydrophobicContact CE2-CB 4.23Å; Y158-E215 HydrophobicContact CE2-CG 4.03Å; Y158-E215 WeakPolarHBondContact CE2-OE1 3.25Å; Y158-E215 WeakPolarHBondContact OH-CG 3.4Å
159I84.8Confident82.2Confident28 Ų2854.7 Ų54.714%0.14425%0.252CS..Hα-helixtrans-51.9-54.3178.3-73.6172.4000111.1Q155 L161 L162 E163 L175 L177 F237 V239Q155-I159 HydrophobicContact CG-CD1 3.55Å; Q155-I159 HydrophobicContact CG-CG1 4.29Å; Q155-I159 WeakPolarHBondContact O-CB 3.44Å; Q155-I159 VanDerWaalsContact O-CG1 3.23Å; Q155-I159 WeakPolarHBondContact O-CG1 3.29Å; Q155-I159 PolarHBondContact O-N 3.3Å; I159-L161 PolarHBondContact O-N 2.75Å; I159-L162 PolarHBondContact O-N 2.96Å; I159-E163 WeakPolarHBondContact O-CB 3.45Å; I159-E163 PolarHBondContact O-N 2.88Å; I159-L175 HydrophobicContact CG1-CD2 3.7Å; I159-L177 HydrophobicContact CD1-CD1 4.41Å; I159-F237 HydrophobicContact CG2-CE1 3.8Å; I159-F237 HydrophobicContact CG2-CZ 4.1Å; I159-V239 HydrophobicContact CD1-CG1 4.1Å; I159-V239 HydrophobicContact CD1-CG2 4.2Å; I159-V239 HydrophobicContact CG1-CG2 4.18Å; I159-V239 HydrophobicContact CG2-CG2 3.98Å
160R83.5Confident82Confident154 Ų15459.6 Ų59.658%0.58128%0.275SS*.Hα-helixtrans-59.3-33.1-179.4-75.1-171.1-65.8-102.33.1113N156 Y158 R164N156-R160 WeakPolarHBondContact O-CG 3.13Å; N156-R160 VanDerWaalsContact O-CZ 3.29Å; N156-R160 PolarHBondContact O-N 3.2Å; N156-R160 PolarHBondContact O-NE 3.19Å; Y158-R160 PolarHBondContact O-N 3.1Å; R160-R164 WeakPolarHBondContact O-CB 3.5Å; R160-R164 PolarHBondContact O-N 3.04Å
161L84.8Confident82.3Confident38 Ų3855 Ų5520%0.19925%0.25CS..Hα-helixtrans-76.8-42.2-179.3-170.360.2000111.6R157 Y158 I159 R164 W165 V204R157-L161 WeakPolarHBondContact O-CB 3.5Å; R157-L161 PolarHBondContact O-N 2.8Å; Y158-L161 WeakPolarHBondContact O-CB 3.12Å; Y158-L161 PolarHBondContact O-N 2.82Å; I159-L161 PolarHBondContact O-N 2.75Å; L161-R164 WeakPolarHBondContact O-CB 3.28Å; L161-R164 PolarHBondContact O-N 2.84Å; L161-W165 HydrophobicContact CD1-CZ2 4.05Å; L161-W165 HydrophobicContact CD2-CH2 4.21Å; L161-W165 HydrophobicContact CD2-CZ2 3.8Å; L161-W165 HydrophobicContact CG-CD2 4.33Å; L161-W165 HydrophobicContact CG-CH2 4.37Å; L161-W165 HydrophobicContact CG-CZ2 3.75Å; L161-W165 VanDerWaalsContact O-CG 3.31Å; L161-W165 PolarHBondContact O-N 3.25Å; L161-V204 HydrophobicContact CD2-CB 3.82Å; L161-V204 HydrophobicContact CD2-CG1 3.51Å
162L89.1Confident82.9Confident0 Ų053.1 Ų53.10%024%0.243CC..Hα-helixtrans-64.7-45.2175.4-60.2-164.6000111.7Y158 I159 R164 W165 S166 L175 I183 F195 L199 F237Y158-L162 HydrophobicContact CD1-CD1 3.81Å; Y158-L162 HydrophobicContact CD1-CD2 4.28Å; Y158-L162 HydrophobicContact CD1-CG 3.86Å; Y158-L162 HydrophobicContact CE1-CD1 3.6Å; Y158-L162 HydrophobicContact CE1-CD2 3.94Å; Y158-L162 HydrophobicContact CE1-CG 3.88Å; Y158-L162 WeakPolarHBondContact O-CG 3.23Å; Y158-L162 PolarHBondContact O-N 2.94Å; I159-L162 PolarHBondContact O-N 2.96Å; L162-R164 PolarHBondContact O-N 3.04Å; L162-W165 HydrophobicContact CD2-CE3 4.21Å; L162-W165 HydrophobicContact CD2-CZ3 4.36Å; L162-W165 PolarHBondContact O-N 3.38Å; L162-S166 PolarHBondContact O-N 2.95Å; L162-S166 PolarHBondContact O-OG 2.96Å; L162-L175 HydrophobicContact CD1-CD1 4Å; L162-L175 HydrophobicContact CD1-CD2 4.15Å; L162-L175 HydrophobicContact CD1-CG 4.47Å; L162-I183 HydrophobicContact CD1-CD1 3.68Å; L162-I183 HydrophobicContact CD1-CG1 4.14Å; L162-I183 HydrophobicContact CD2-CD1 4.38Å; L162-F195 HydrophobicContact CB-CZ 4.27Å; L162-F195 HydrophobicContact CD2-CE1 4.3Å; L162-F195 HydrophobicContact CD2-CZ 3.83Å; L162-F195 HydrophobicContact CG-CZ 4.44Å; L162-L199 HydrophobicContact CD2-CD1 3.59Å; L162-F237 HydrophobicContact CB-CE2 3.65Å; L162-F237 HydrophobicContact CB-CZ 4.14Å
163E85.6Confident83.2Confident73 Ų7351.6 Ų51.634%0.34124%0.235SC..Hα-helixtrans-55.8-43.7177-179173.4-148.500111.1I159 S166 Q167 F237I159-E163 WeakPolarHBondContact O-CB 3.45Å; I159-E163 PolarHBondContact O-N 2.88Å; E163-S166 WeakPolarHBondContact CA-OG 3.45Å; E163-S166 PolarHBondContact O-OG 3.29Å; E163-Q167 VanDerWaalsContact O-CG 3.29Å; E163-Q167 WeakPolarHBondContact O-CG 3.46Å; E163-Q167 PolarHBondContact O-N 2.83Å; E163-Q167 VanDerWaalsContact O-N 3.1Å; E163-F237 HydrophobicContact CB-CB 4.36Å; E163-F237 HydrophobicContact CB-CD1 3.59Å; E163-F237 HydrophobicContact CB-CD2 4.05Å; E163-F237 HydrophobicContact CB-CE1 3.78Å; E163-F237 HydrophobicContact CB-CE2 4.24Å; E163-F237 HydrophobicContact CB-CG 3.74Å; E163-F237 HydrophobicContact CB-CZ 4.11Å; E163-F237 HydrophobicContact CG-CB 3.99Å; E163-F237 HydrophobicContact CG-CD1 3.71Å; E163-F237 HydrophobicContact CG-CE1 4.34Å; E163-F237 HydrophobicContact CG-CG 3.85Å
164R79.2Confident83.7Confident61 Ų6147 Ų4723%0.2322%0.218CC..Hα-helixtrans-61.6-46.9174.7-176.8-178.3-174146.116111.8D111 R160 L161 L162 Q167 Q168D111-R164 PolarHBondContact O-NH2 3.33Å; R160-R164 WeakPolarHBondContact O-CB 3.5Å; R160-R164 PolarHBondContact O-N 3.04Å; L161-R164 WeakPolarHBondContact O-CB 3.28Å; L161-R164 PolarHBondContact O-N 2.84Å; L162-R164 PolarHBondContact O-N 3.04Å; R164-Q167 PolarHBondContact O-N 2.98Å; R164-Q168 HydrophobicContact CG-CG 4.44Å; R164-Q168 WeakPolarHBondContact O-CB 3.47Å; R164-Q168 VanDerWaalsContact O-CG 3.24Å; R164-Q168 WeakPolarHBondContact O-CG 3.4Å; R164-Q168 PolarHBondContact O-N 3.36Å
165W86.8Confident84.3Confident6 Ų645.2 Ų45.22%0.02321%0.205CC..Hα-helixtrans-67.3-39.1-178.8-68.1-10.4000112.6L161 L162 Q167 Q168 L169 F195 R198 L199 V202 V204L161-W165 HydrophobicContact CD1-CZ2 4.05Å; L161-W165 HydrophobicContact CD2-CH2 4.21Å; L161-W165 HydrophobicContact CD2-CZ2 3.8Å; L161-W165 HydrophobicContact CG-CD2 4.33Å; L161-W165 HydrophobicContact CG-CH2 4.37Å; L161-W165 HydrophobicContact CG-CZ2 3.75Å; L161-W165 VanDerWaalsContact O-CG 3.31Å; L161-W165 PolarHBondContact O-N 3.25Å; L162-W165 HydrophobicContact CD2-CE3 4.21Å; L162-W165 HydrophobicContact CD2-CZ3 4.36Å; L162-W165 PolarHBondContact O-N 3.38Å; W165-Q167 VanDerWaalsContact C-N 3.31Å; W165-Q167 PolarHBondContact O-N 3.02Å; W165-Q168 PolarHBondContact O-N 2.92Å; W165-L169 VanDerWaalsContact O-CB 3.31Å; W165-L169 WeakPolarHBondContact O-CB 3.46Å; W165-L169 WeakPolarHBondContact O-CG 3.35Å; W165-L169 PolarHBondContact O-N 2.83Å; W165-F195 HydrophobicContact CB-CD2 3.82Å; W165-F195 HydrophobicContact CB-CE2 3.64Å; W165-F195 HydrophobicContact CE3-CD2 4.44Å; W165-F195 HydrophobicContact CE3-CE2 4.19Å; W165-F195 HydrophobicContact CE3-CZ 4.25Å; W165-R198 HydrophobicContact CD2-CB 4.17Å; W165-R198 HydrophobicContact CE3-CB 3.93Å; W165-R198 VanDerWaalsContact CH2-C 3.5Å; W165-R198 HydrophobicContact CH2-CB 3.54Å; W165-R198 WeakPolarHBondContact CH2-O 3.41Å; W165-R198 HydrophobicContact CZ2-CB 3.84Å; W165-R198 HydrophobicContact CZ3-CB 3.59Å; W165-L199 HydrophobicContact CZ3-CB 4.18Å; W165-L199 HydrophobicContact CZ3-CD1 3.85Å; W165-V202 HydrophobicContact CH2-CB 3.89Å; W165-V202 HydrophobicContact CH2-CG1 4.36Å; W165-V202 HydrophobicContact CH2-CG2 4.26Å; W165-V202 HydrophobicContact CZ2-CB 3.82Å; W165-V202 HydrophobicContact CZ2-CG1 3.92Å; W165-V202 HydrophobicContact CZ2-CG2 3.96Å; W165-V204 HydrophobicContact CH2-CG1 3.18Å; W165-V204 HydrophobicContact CZ2-CG1 3.93Å; W165-V204 HydrophobicContact CZ3-CG1 3.87Å
166S84.6Confident84.6Confident2 Ų241.1 Ų41.11%0.01419%0.186CC..Hα-helixtrans-62.4-41.6177.2610000110.9L162 E163 Q170 L171 C173L162-S166 PolarHBondContact O-N 2.95Å; L162-S166 PolarHBondContact O-OG 2.96Å; E163-S166 WeakPolarHBondContact CA-OG 3.45Å; E163-S166 PolarHBondContact O-OG 3.29Å; S166-Q170 WeakPolarHBondContact O-CA 3.44Å; S166-Q170 PolarHBondContact O-N 3.06Å; S166-L171 WeakPolarHBondContact CB-O 3.26Å; S166-L171 PolarHBondContact O-N 3.25Å; S166-C173 VanDerWaalsContact CB-CB 3.45Å
167Q76.5Confident85Confident124 Ų12436.8 Ų36.858%0.57916%0.163SC*.Hα-helixtrans-64.5-45.7173.3-69.7170.60.200112.5E163 R164 W165 L169 Q170E163-Q167 VanDerWaalsContact O-CG 3.29Å; E163-Q167 WeakPolarHBondContact O-CG 3.46Å; E163-Q167 PolarHBondContact O-N 2.83Å; E163-Q167 VanDerWaalsContact O-N 3.1Å; R164-Q167 PolarHBondContact O-N 2.98Å; W165-Q167 VanDerWaalsContact C-N 3.31Å; W165-Q167 PolarHBondContact O-N 3.02Å; Q167-L169 VanDerWaalsContact C-N 3.31Å; Q167-L169 PolarHBondContact O-N 3.24Å; Q167-Q170 PolarHBondContact O-N 3.27Å
168Q75.4Confident85.2Confident36 Ų3634.9 Ų34.917%0.16817%0.165CC..Hα-helixtrans-62.8-36.8-179.1-76.7177.3-16.500113.3S115 R164 W165S115-Q168 PolarHBondContact OG-NE2 3.03Å; R164-Q168 HydrophobicContact CG-CG 4.44Å; R164-Q168 WeakPolarHBondContact O-CB 3.47Å; R164-Q168 VanDerWaalsContact O-CG 3.24Å; R164-Q168 WeakPolarHBondContact O-CG 3.4Å; R164-Q168 PolarHBondContact O-N 3.36Å; W165-Q168 PolarHBondContact O-N 2.92Å
169L81Confident85Confident14 Ų1443 Ų437%0.07320%0.203CC..THydrogen-bonded Turntrans-95.63.7-177.6-63.6173.1000112.5W165 Q167 L171 N191 E194 F195W165-L169 VanDerWaalsContact O-CB 3.31Å; W165-L169 WeakPolarHBondContact O-CB 3.46Å; W165-L169 WeakPolarHBondContact O-CG 3.35Å; W165-L169 PolarHBondContact O-N 2.83Å; Q167-L169 VanDerWaalsContact C-N 3.31Å; Q167-L169 PolarHBondContact O-N 3.24Å; L169-L171 HydrophobicContact CB-CD1 3.92Å; L169-L171 HydrophobicContact CB-CG 3.84Å; L169-L171 HydrophobicContact CD1-CD1 4.27Å; L169-L171 PolarHBondContact O-N 2.89Å; L169-N191 HydrophobicContact CB-CB 4.19Å; L169-N191 WeakPolarHBondContact O-CB 3.46Å; L169-N191 PolarHBondContact O-ND2 3.49Å; L169-E194 HydrophobicContact CD1-CB 4.41Å; L169-E194 HydrophobicContact CD1-CG 4.08Å; L169-E194 HydrophobicContact CD2-CB 4.19Å; L169-E194 HydrophobicContact CD2-CG 3.61Å; L169-F195 HydrophobicContact CD1-CB 3.73Å; L169-F195 HydrophobicContact CD1-CD2 4.02Å; L169-F195 HydrophobicContact CD1-CG 4.35Å
170Q81.8Confident85Confident106 Ų10643.1 Ų43.150%0.49520%0.204SC..THydrogen-bonded Turntrans51.538.5-177.1-62.4174.8-19.200112.3S166 Q167S166-Q170 WeakPolarHBondContact O-CA 3.44Å; S166-Q170 PolarHBondContact O-N 3.06Å; Q167-Q170 PolarHBondContact O-N 3.27Å
171L85.9Confident85.2Confident8 Ų836.2 Ų36.24%0.04218%0.179CC..  trans-96.6138.5176-61.7176.6000109.1S166 L169 L185 L186 N191 I192 F195S166-L171 WeakPolarHBondContact CB-O 3.26Å; S166-L171 PolarHBondContact O-N 3.25Å; L169-L171 HydrophobicContact CB-CD1 3.92Å; L169-L171 HydrophobicContact CB-CG 3.84Å; L169-L171 HydrophobicContact CD1-CD1 4.27Å; L169-L171 PolarHBondContact O-N 2.89Å; L171-L185 HydrophobicContact CD1-CD2 4.35Å; L171-L186 WeakPolarHBondContact CA-O 3.46Å; L171-N191 HydrophobicContact CD2-CB 3.72Å; L171-N191 HydrophobicContact CG-CB 4.18Å; L171-I192 HydrophobicContact CD1-CG1 4.38Å; L171-I192 HydrophobicContact CD2-CG1 3.73Å; L171-F195 HydrophobicContact CD1-CB 3.74Å; L171-F195 HydrophobicContact CD1-CD2 3.92Å; L171-F195 HydrophobicContact CD1-CG 4.12Å
172T88.5Confident85.4Confident18 Ų1834.4 Ų34.411%0.1117%0.169CC..EExtended strand (participates in β ladder)trans-71132.8155.1-79.10000108.1L185 L186 L234 Q235T172-L185 WeakPolarHBondContact O-CA 3.4Å; T172-L186 HydrophobicContact CG2-CB 4.36Å; T172-L186 HydrophobicContact CG2-CD1 3.84Å; T172-L186 PolarHBondContact N-O 2.85Å; T172-L186 PolarHBondContact O-N 3.2Å; T172-L234 WeakPolarHBondContact CB-O 3.35Å; T172-L234 HydrophobicContact CG2-CB 4.46Å; T172-L234 WeakPolarHBondContact CG2-O 3.49Å; T172-L234 PolarHBondContact OG1-O 3.21Å; T172-Q235 WeakPolarHBondContact OG1-CA 3.5Å
173C89.7Confident85.4Confident0 Ų034.4 Ų34.40%017%0.169CC..EExtended strand (participates in β ladder)trans-135.4124.7-179.6173.80000110.4S166 I184 L185 G236 F237 V238S166-C173 VanDerWaalsContact CB-CB 3.45Å; C173-I184 CarbonylContact C-O 3.58Å; C173-I184 WeakPolarHBondContact CA-O 3.45Å; C173-L185 HydrophobicContact CB-CD2 3.84Å; C173-G236 PolarHBondContact N-O 3.31Å; C173-G236 VanDerWaalsContact N-O 3.07Å; C173-F237 HydrophobicContact CB-CD2 3.81Å; C173-F237 HydrophobicContact CB-CE2 4.41Å; C173-F237 CarbonylContact O-C 3.56Å; C173-F237 VanDerWaalsContact O-CA 3.28Å; C173-F237 WeakPolarHBondContact O-CA 3.39Å; C173-V238 PolarHBondContact O-N 3.23Å
174R90.3Very high85.6Confident14 Ų1430.9 Ų30.95%0.05315%0.153CC..EExtended strand (participates in β ladder)trans-113.6121.4170.2-62-124.4-168-68.67.4109.4I183 I184 V238R174-I183 WeakPolarHBondContact O-CA 3.35Å; R174-I184 HydrophobicContact CB-CB 4.31Å; R174-I184 PolarHBondContact N-O 3.23Å; R174-I184 PolarHBondContact O-N 2.94Å; R174-V238 CarbonylContact C-O 3.6Å; R174-V238 VanDerWaalsContact CA-O 3.28Å; R174-V238 WeakPolarHBondContact CA-O 3.36Å; R174-V238 HydrophobicContact CG-CB 4.42Å
175L92.7Very high86.1Confident0 Ų028 Ų280%014%0.142CC..EExtended strand (participates in β ladder)trans-99.4118.2173.517966.8000108.9L149 I152 I159 L162 L177 I183 F237 V238 V239 K240L149-L175 HydrophobicContact CD1-CD1 4.48Å; I152-L175 HydrophobicContact CD1-CD1 4.04Å; I152-L175 HydrophobicContact CD1-CD2 4.48Å; I159-L175 HydrophobicContact CG1-CD2 3.7Å; L162-L175 HydrophobicContact CD1-CD1 4Å; L162-L175 HydrophobicContact CD1-CD2 4.15Å; L162-L175 HydrophobicContact CD1-CG 4.47Å; L175-L177 HydrophobicContact CD1-CD2 4.33Å; L175-L177 HydrophobicContact CD2-CD2 3.85Å; L175-L177 HydrophobicContact CD2-CG 4.36Å; L175-L177 HydrophobicContact CG-CD2 3.91Å; L175-L177 HydrophobicContact CG-CG 4.26Å; L175-I183 HydrophobicContact CD1-CG1 3.76Å; L175-F237 HydrophobicContact CB-CZ 4.37Å; L175-V238 PolarHBondContact N-O 2.81Å; L175-V239 HydrophobicContact CB-CG2 4.38Å; L175-V239 HydrophobicContact CD2-CG1 4.32Å; L175-V239 HydrophobicContact CD2-CG2 4.46Å; L175-V239 WeakPolarHBondContact O-CA 3.28Å; L175-K240 PolarHBondContact O-N 2.93Å
176L90.1Very high86Confident3 Ų328.2 Ų28.22%0.01614%0.144CC..EExtended strand (participates in β ladder)trans-103.8114.3177.1-50.8-179000109P181 L182 I184 K240 Y242 L248 V251 F252L176-P181 WeakPolarHBondContact O-CA 3.44Å; L176-L182 HydrophobicContact CB-CB 4.22Å; L176-L182 PolarHBondContact N-O 3.42Å; L176-L182 PolarHBondContact O-N 2.9Å; L176-I184 HydrophobicContact CD1-CD1 3.9Å; L176-K240 CarbonylContact C-O 3.5Å; L176-K240 VanDerWaalsContact CA-O 3.29Å; L176-K240 WeakPolarHBondContact CA-O 3.43Å; L176-K240 HydrophobicContact CD2-CB 3.95Å; L176-Y242 HydrophobicContact CB-CD1 3.97Å; L176-Y242 HydrophobicContact CB-CE1 4.13Å; L176-L248 HydrophobicContact CD1-CD1 3.49Å; L176-L248 VanDerWaalsContact CD1-CD1 3.49Å; L176-V251 HydrophobicContact CD1-CG1 3.87Å; L176-V251 HydrophobicContact CD2-CG1 3.86Å; L176-F252 HydrophobicContact CD1-CE2 4.21Å
177L88.4Confident86.1Confident17 Ų1728.6 Ų28.69%0.08915%0.148CC..EExtended strand (participates in β ladder)trans-96.7120.5-177.9-62.4176.4000109.6I152 Q155 I159 L175 V239 K240 D241 Y242I152-L177 HydrophobicContact CD1-CD2 3.66Å; Q155-L177 HydrophobicContact CG-CD1 4.06Å; I159-L177 HydrophobicContact CD1-CD1 4.41Å; L175-L177 HydrophobicContact CD1-CD2 4.33Å; L175-L177 HydrophobicContact CD2-CD2 3.85Å; L175-L177 HydrophobicContact CD2-CG 4.36Å; L175-L177 HydrophobicContact CG-CD2 3.91Å; L175-L177 HydrophobicContact CG-CG 4.26Å; L177-V239 HydrophobicContact CD1-CG1 3.49Å; L177-V239 VanDerWaalsContact CD1-CG1 3.49Å; L177-V239 HydrophobicContact CG-CG1 3.95Å; L177-K240 PolarHBondContact N-O 3.02Å; L177-D241 WeakPolarHBondContact CB-OD1 3.38Å; L177-D241 CarbonylContact O-C 3.56Å; L177-D241 VanDerWaalsContact O-CA 3.29Å; L177-D241 WeakPolarHBondContact O-CA 3.31Å; L177-Y242 VanDerWaalsContact O-CD1 3.3Å; L177-Y242 WeakPolarHBondContact O-CD1 3.43Å; L177-Y242 PolarHBondContact O-N 3.47Å
178G85.7Confident86.3Confident30 Ų3026.7 Ų26.731%0.30914%0.139SC..SBendtrans-168.1-156.8177.700000110.1N180 Y242G178-N180 PolarHBondContact O-N 3.31Å; G178-Y242 VanDerWaalsContact CA-CE1 3.48Å
179H81.6Confident86.5Confident170 Ų17029.6 Ų29.679%0.78715%0.148SC*.SBendtrans-57.8-38.6178.2-175.5-83.3000112.2
180N83.3Confident86.3Confident32 Ų3232.8 Ų32.817%0.17117%0.17CC..SBendtrans-123.989.1-179.1-71.9-9.7000108.4L148 G178 L182 Y242 L268L148-N180 HydrophobicContact CD1-CB 3.83Å; G178-N180 PolarHBondContact O-N 3.31Å; N180-L182 PolarHBondContact O-N 3.23Å; N180-Y242 PolarHBondContact N-OH 2.84Å; N180-Y242 PolarHBondContact O-OH 2.74Å; N180-L268 PolarHBondContact ND2-O 3.31Å
181P87.6Confident86.4Confident8 Ų829.4 Ų29.45%0.05216%0.155CC..  trans-62.7134.7-171-18.129000112.1L149 I152 L176L149-P181 HydrophobicContact CB-CB 4.14Å; L149-P181 WeakPolarHBondContact CB-O 3.23Å; L149-P181 HydrophobicContact CD1-CB 4.19Å; L149-P181 PolarHBondContact N-O 3.38Å; I152-P181 HydrophobicContact CD1-CB 3.83Å; I152-P181 HydrophobicContact CD1-CG 4.33Å; I152-P181 HydrophobicContact CG1-CB 4.22Å; I152-P181 HydrophobicContact CG1-CG 4.28Å; L176-P181 WeakPolarHBondContact O-CA 3.44Å
182L88.8Confident86.3Confident0 Ų029.1 Ų29.10%015%0.154CC..EExtended strand (participates in β ladder)trans-120143.5-176.7-68.3163.2000111.2V146 L147 L148 L176 N180 L221 L248 L268V146-L182 HydrophobicContact CG1-CD2 4.13Å; L147-L182 CarbonylContact O-C 3.6Å; L147-L182 VanDerWaalsContact O-CA 3.29Å; L147-L182 WeakPolarHBondContact O-CA 3.49Å; L147-L182 WeakPolarHBondContact O-CD2 3.35Å; L148-L182 HydrophobicContact CB-CD2 4.07Å; L148-L182 HydrophobicContact CD1-CD2 3.85Å; L148-L182 HydrophobicContact CD1-CG 4.5Å; L176-L182 HydrophobicContact CB-CB 4.22Å; L176-L182 PolarHBondContact N-O 3.42Å; L176-L182 PolarHBondContact O-N 2.9Å; N180-L182 PolarHBondContact O-N 3.23Å; L182-L221 HydrophobicContact CD2-CD1 3.82Å; L182-L248 HydrophobicContact CD1-CD1 3.93Å; L182-L248 HydrophobicContact CD1-CD2 3.9Å; L182-L248 HydrophobicContact CD1-CG 4.5Å; L182-L268 HydrophobicContact CD1-CD1 4.33Å; L182-L268 HydrophobicContact CD1-CD2 4.21Å; L182-L268 HydrophobicContact CD2-CD2 4.04Å
183I90.8Very high85.9Confident0 Ų033.5 Ų33.50%017%0.171CC..EExtended strand (participates in β ladder)trans-116126.5167.6-56.4172.1000108.1V146 L147 L149 Y158 L162 R174 L175 L185 F195 L199V146-I183 CarbonylContact C-O 3.58Å; V146-I183 WeakPolarHBondContact CA-O 3.35Å; L147-I183 HydrophobicContact CB-CB 4.14Å; L147-I183 HydrophobicContact CD1-CB 4.31Å; L147-I183 HydrophobicContact CD1-CG2 4.5Å; L147-I183 HydrophobicContact CG-CB 4.44Å; L147-I183 PolarHBondContact N-O 3.45Å; L147-I183 PolarHBondContact O-N 2.98Å; L149-I183 HydrophobicContact CD1-CD1 3.88Å; L149-I183 HydrophobicContact CD1-CG1 3.99Å; L149-I183 HydrophobicContact CD2-CD1 4.11Å; L149-I183 HydrophobicContact CG-CD1 4.34Å; L149-I183 HydrophobicContact CG-CG1 4.43Å; Y158-I183 HydrophobicContact CE1-CD1 4.48Å; L162-I183 HydrophobicContact CD1-CD1 3.68Å; L162-I183 HydrophobicContact CD1-CG1 4.14Å; L162-I183 HydrophobicContact CD2-CD1 4.38Å; R174-I183 WeakPolarHBondContact O-CA 3.35Å; L175-I183 HydrophobicContact CD1-CG1 3.76Å; I183-L185 HydrophobicContact CG2-CD2 3.72Å; I183-L185 HydrophobicContact CG2-CG 3.88Å; I183-F195 HydrophobicContact CD1-CE1 4.27Å; I183-F195 HydrophobicContact CG2-CE1 4.34Å; I183-L199 HydrophobicContact CD1-CD1 4.09Å; I183-L199 HydrophobicContact CD1-CD2 4.2Å
184I88.6Confident85.6Confident0 Ų036.9 Ų36.90%019%0.187CC..EExtended strand (participates in β ladder)trans-106.9121.9170.5-51.9175.1000107.7T144 A145 V146 C173 R174 L176 L186 F252 L255 L257T144-I184 HydrophobicContact CG2-CG2 4.32Å; A145-I184 WeakPolarHBondContact O-CA 3.44Å; V146-I184 HydrophobicContact CG1-CG1 4.5Å; V146-I184 HydrophobicContact CG2-CG1 4.35Å; V146-I184 HydrophobicContact CG2-CG2 4.39Å; C173-I184 CarbonylContact C-O 3.58Å; C173-I184 WeakPolarHBondContact CA-O 3.45Å; R174-I184 HydrophobicContact CB-CB 4.31Å; R174-I184 PolarHBondContact N-O 3.23Å; R174-I184 PolarHBondContact O-N 2.94Å; L176-I184 HydrophobicContact CD1-CD1 3.9Å; I184-L186 HydrophobicContact CG2-CD1 3.81Å; I184-F252 HydrophobicContact CD1-CE1 3.92Å; I184-F252 HydrophobicContact CD1-CE2 4.01Å; I184-F252 HydrophobicContact CD1-CZ 3.63Å; I184-F252 HydrophobicContact CG1-CZ 4.19Å; I184-L255 HydrophobicContact CD1-CD1 3.5Å; I184-L255 HydrophobicContact CG2-CD1 4.33Å; I184-L257 HydrophobicContact CG2-CD1 3.88Å
185L89.7Confident85.4Confident0 Ų036.2 Ų36.20%019%0.185CC..EExtended strand (participates in β ladder)trans-113.4134.7178.9-60.9173.3000109.7T144 A145 L147 L171 T172 C173 I183 I192 F195T144-L185 CarbonylContact C-O 3.56Å; T144-L185 VanDerWaalsContact CA-O 3.28Å; T144-L185 WeakPolarHBondContact CA-O 3.31Å; A145-L185 HydrophobicContact CB-CB 4.49Å; A145-L185 PolarHBondContact N-O 3.46Å; A145-L185 PolarHBondContact O-N 2.81Å; L147-L185 HydrophobicContact CD1-CD1 3.85Å; L147-L185 HydrophobicContact CG-CD1 4.49Å; L171-L185 HydrophobicContact CD1-CD2 4.35Å; T172-L185 WeakPolarHBondContact O-CA 3.4Å; C173-L185 HydrophobicContact CB-CD2 3.84Å; I183-L185 HydrophobicContact CG2-CD2 3.72Å; I183-L185 HydrophobicContact CG2-CG 3.88Å; L185-I192 HydrophobicContact CB-CG1 4.29Å; L185-I192 HydrophobicContact CD1-CG2 4.29Å; L185-F195 HydrophobicContact CD1-CB 4.05Å; L185-F195 HydrophobicContact CD1-CD1 3.49Å; L185-F195 VanDerWaalsContact CD1-CD1 3.49Å; L185-F195 HydrophobicContact CD1-CE1 4.02Å; L185-F195 HydrophobicContact CD1-CG 3.81Å; L185-F195 HydrophobicContact CD2-CD1 4.11Å; L185-F195 HydrophobicContact CD2-CD2 4.2Å; L185-F195 HydrophobicContact CD2-CE1 3.99Å; L185-F195 HydrophobicContact CD2-CE2 4.09Å; L185-F195 HydrophobicContact CD2-CG 4.21Å; L185-F195 HydrophobicContact CD2-CZ 3.97Å; L185-F195 HydrophobicContact CG-CD1 4.41Å
186L85.7Confident84.8Confident11 Ų1136.9 Ų36.96%0.05819%0.189CC..EExtended strand (participates in β ladder)trans-128.8135.5171.2-60.384.6000109.5W143 T144 L171 T172 I184 Y226 L234W143-L186 WeakPolarHBondContact O-CA 3.46Å; T144-L186 HydrophobicContact CG2-CG 4.35Å; L171-L186 WeakPolarHBondContact CA-O 3.46Å; T172-L186 HydrophobicContact CG2-CB 4.36Å; T172-L186 HydrophobicContact CG2-CD1 3.84Å; T172-L186 PolarHBondContact N-O 2.85Å; T172-L186 PolarHBondContact O-N 3.2Å; I184-L186 HydrophobicContact CG2-CD1 3.81Å; L186-Y226 HydrophobicContact CD2-CD1 4.49Å; L186-Y226 HydrophobicContact CD2-CD2 3.93Å; L186-Y226 HydrophobicContact CD2-CE1 4.13Å; L186-Y226 HydrophobicContact CD2-CE2 3.5Å; L186-Y226 VanDerWaalsContact CD2-CE2 3.5Å; L186-Y226 HydrophobicContact CD2-CG 4.39Å; L186-L234 HydrophobicContact CD2-CD1 4.13Å
187G85.1Confident84.3Confident10 Ų1041.6 Ų41.610%0.10321%0.211CC..EExtended strand (participates in β ladder)trans149.5-161.5176.600000112.1W143W143-G187 PolarHBondContact N-O 3.25Å; W143-G187 PolarHBondContact O-N 3.01Å
188E82.4Confident84Confident84 Ų8442.3 Ų42.339%0.39321%0.212SC..EExtended strand (participates in β ladder)trans-64.5138-177.8-60.8178.4174.300112.3P190 N191 I192E188-P190 HydrophobicContact CB-CG 4.16Å; E188-N191 HydrophobicContact CB-CB 4.39Å; E188-N191 WeakPolarHBondContact O-CB 3.28Å; E188-N191 PolarHBondContact O-N 3.46Å; E188-N191 PolarHBondContact OE2-ND2 2.93Å; E188-I192 PolarHBondContact O-N 3.1Å
189R78.8Confident83.8Confident96 Ų9640.9 Ų40.936%0.36220%0.198SC..Hα-helixtrans-49.4-48.5177.6-159-177.7-174.4-178.9-0.5115W143 N191 I192 K193 E223W143-R189 HydrophobicContact CB-CB 4.45Å; W143-R189 HydrophobicContact CD2-CB 4.15Å; W143-R189 HydrophobicContact CD2-CG 3.87Å; W143-R189 HydrophobicContact CE3-CG 4.36Å; W143-R189 HydrophobicContact CG-CB 3.81Å; W143-R189 HydrophobicContact CG-CG 4Å; R189-N191 VanDerWaalsContact C-N 3.26Å; R189-N191 PolarHBondContact O-N 3.25Å; R189-I192 PolarHBondContact O-N 3.34Å; R189-K193 WeakPolarHBondContact O-CG 3.3Å; R189-K193 PolarHBondContact O-N 2.84Å; R189-E223 IonicContact CZ-OE1 2.81Å; R189-E223 IonicContact NE-OE1 3.43Å; R189-E223 PolarHBondContact NE-OE1 3.41Å; R189-E223 IonicContact NH2-OE1 2.83Å; R189-E223 PolarHBondContact NH2-OE1 3.06Å
190P77.7Confident83.5Confident82 Ų8238.4 Ų38.453%0.53218%0.181SC..Hα-helixtrans-59.9-37.9178.322.4-34.8000112.4E188 K193 E194E188-P190 HydrophobicContact CB-CG 4.16Å; P190-K193 PolarHBondContact O-N 2.77Å; P190-E194 WeakPolarHBondContact O-CB 3.44Å; P190-E194 PolarHBondContact O-N 3.19Å
191N83.9Confident82.9Confident34 Ų3439.3 Ų39.318%0.18219%0.188CC..Hα-helixtrans-69.7-39.5180-66.1-23.8000111.3L169 L171 E188 R189 E194 F195L169-N191 HydrophobicContact CB-CB 4.19Å; L169-N191 WeakPolarHBondContact O-CB 3.46Å; L169-N191 PolarHBondContact O-ND2 3.49Å; L171-N191 HydrophobicContact CD2-CB 3.72Å; L171-N191 HydrophobicContact CG-CB 4.18Å; E188-N191 HydrophobicContact CB-CB 4.39Å; E188-N191 WeakPolarHBondContact O-CB 3.28Å; E188-N191 PolarHBondContact O-N 3.46Å; E188-N191 PolarHBondContact OE2-ND2 2.93Å; R189-N191 VanDerWaalsContact C-N 3.26Å; R189-N191 PolarHBondContact O-N 3.25Å; N191-E194 PolarHBondContact O-N 3.18Å; N191-F195 PolarHBondContact O-N 3.41Å
192I82.7Confident82.4Confident2 Ų241.7 Ų41.71%0.0120%0.202CC..Hα-helixtrans-61.4-46172.8-67.6178.4000110.9W143 A145 L171 L185 E188 R189 E194 F195 C196W143-I192 HydrophobicContact CB-CD1 3.72Å; W143-I192 VanDerWaalsContact O-CD1 3.25Å; W143-I192 WeakPolarHBondContact O-CD1 2.81Å; A145-I192 HydrophobicContact CB-CD1 4.44Å; A145-I192 HydrophobicContact CB-CG2 3.52Å; L171-I192 HydrophobicContact CD1-CG1 4.38Å; L171-I192 HydrophobicContact CD2-CG1 3.73Å; L185-I192 HydrophobicContact CB-CG1 4.29Å; L185-I192 HydrophobicContact CD1-CG2 4.29Å; E188-I192 PolarHBondContact O-N 3.1Å; R189-I192 PolarHBondContact O-N 3.34Å; I192-E194 VanDerWaalsContact C-N 3.31Å; I192-E194 PolarHBondContact O-N 3.42Å; I192-F195 WeakPolarHBondContact O-CB 3.42Å; I192-F195 PolarHBondContact O-N 3.35Å; I192-C196 PolarHBondContact O-N 2.96Å; I192-C196 PolarHBondContact O-SG 2.88Å; I192-C196 VanDerWaalsContact O-SG 3.36Å
193K80.3Confident81.8Confident110 Ų11046.9 Ų46.948%0.47823%0.225SC..Hα-helixtrans-60.7-41.6177.5-73.9-176.3178.1-177.40111.8R189 P190 C196 H197R189-K193 WeakPolarHBondContact O-CG 3.3Å; R189-K193 PolarHBondContact O-N 2.84Å; P190-K193 PolarHBondContact O-N 2.77Å; K193-C196 PolarHBondContact O-N 3.18Å; K193-H197 WeakPolarHBondContact O-CB 3.41Å; K193-H197 PolarHBondContact O-N 2.91Å
194E82.9Confident81.3Confident72 Ų7246.9 Ų46.934%0.33623%0.225SC..Hα-helixtrans-64.1-41.2175.117556.2-160.700111.8L169 P190 N191 I192 C196 H197 R198L169-E194 HydrophobicContact CD1-CB 4.41Å; L169-E194 HydrophobicContact CD1-CG 4.08Å; L169-E194 HydrophobicContact CD2-CB 4.19Å; L169-E194 HydrophobicContact CD2-CG 3.61Å; P190-E194 WeakPolarHBondContact O-CB 3.44Å; P190-E194 PolarHBondContact O-N 3.19Å; N191-E194 PolarHBondContact O-N 3.18Å; I192-E194 VanDerWaalsContact C-N 3.31Å; I192-E194 PolarHBondContact O-N 3.42Å; E194-C196 PolarHBondContact O-N 2.89Å; E194-H197 WeakPolarHBondContact O-CB 3.33Å; E194-H197 PolarHBondContact O-N 2.97Å; E194-R198 WeakPolarHBondContact O-CG 3.42Å; E194-R198 PolarHBondContact O-N 3.36Å; E194-R198 IonicContact OE1-CZ 3.6Å; E194-R198 IonicContact OE1-NE 2.64Å; E194-R198 PolarHBondContact OE1-NE 3.4Å; E194-R198 IonicContact OE1-NH2 2.9Å
195F87.5Confident80.7Confident0 Ų047 Ų470%023%0.225CC..Hα-helixtrans-60.3-47.6174.8-168.9-76.9000111.5L147 L162 W165 L169 L171 I183 L185 N191 I192 H197 R198 L199L147-F195 HydrophobicContact CD1-CD1 4.46Å; L162-F195 HydrophobicContact CB-CZ 4.27Å; L162-F195 HydrophobicContact CD2-CE1 4.3Å; L162-F195 HydrophobicContact CD2-CZ 3.83Å; L162-F195 HydrophobicContact CG-CZ 4.44Å; W165-F195 HydrophobicContact CB-CD2 3.82Å; W165-F195 HydrophobicContact CB-CE2 3.64Å; W165-F195 HydrophobicContact CE3-CD2 4.44Å; W165-F195 HydrophobicContact CE3-CE2 4.19Å; W165-F195 HydrophobicContact CE3-CZ 4.25Å; L169-F195 HydrophobicContact CD1-CB 3.73Å; L169-F195 HydrophobicContact CD1-CD2 4.02Å; L169-F195 HydrophobicContact CD1-CG 4.35Å; L171-F195 HydrophobicContact CD1-CB 3.74Å; L171-F195 HydrophobicContact CD1-CD2 3.92Å; L171-F195 HydrophobicContact CD1-CG 4.12Å; I183-F195 HydrophobicContact CD1-CE1 4.27Å; I183-F195 HydrophobicContact CG2-CE1 4.34Å; L185-F195 HydrophobicContact CD1-CB 4.05Å; L185-F195 HydrophobicContact CD1-CD1 3.49Å; L185-F195 VanDerWaalsContact CD1-CD1 3.49Å; L185-F195 HydrophobicContact CD1-CE1 4.02Å; L185-F195 HydrophobicContact CD1-CG 3.81Å; L185-F195 HydrophobicContact CD2-CD1 4.11Å; L185-F195 HydrophobicContact CD2-CD2 4.2Å; L185-F195 HydrophobicContact CD2-CE1 3.99Å; L185-F195 HydrophobicContact CD2-CE2 4.09Å; L185-F195 HydrophobicContact CD2-CG 4.21Å; L185-F195 HydrophobicContact CD2-CZ 3.97Å; L185-F195 HydrophobicContact CG-CD1 4.41Å; N191-F195 PolarHBondContact O-N 3.41Å; I192-F195 WeakPolarHBondContact O-CB 3.42Å; I192-F195 PolarHBondContact O-N 3.35Å; F195-H197 VanDerWaalsContact C-N 3.3Å; F195-H197 PolarHBondContact O-N 3.36Å; F195-R198 PolarHBondContact O-N 3.02Å; F195-L199 HydrophobicContact CE1-CD1 4.07Å; F195-L199 PolarHBondContact O-N 3.37Å
196C79.5Confident80.1Confident14 Ų1448.3 Ų48.310%0.09523%0.234CC..Hα-helixtrans-59.5-41.7175.6-69.30000111.8I192 K193 E194 L199 R200I192-C196 PolarHBondContact O-N 2.96Å; I192-C196 PolarHBondContact O-SG 2.88Å; I192-C196 VanDerWaalsContact O-SG 3.36Å; K193-C196 PolarHBondContact O-N 3.18Å; E194-C196 PolarHBondContact O-N 2.89Å; C196-L199 PolarHBondContact O-N 3.03Å; C196-R200 PolarHBondContact O-N 2.76Å
197H78.2Confident79.5Confident101 Ų10149.9 Ų49.947%0.46824%0.242SC..Hα-helixtrans-59.6-50.4175.8179.681.7000111.1K193 E194 F195 L199 R200 T201K193-H197 WeakPolarHBondContact O-CB 3.41Å; K193-H197 PolarHBondContact O-N 2.91Å; E194-H197 WeakPolarHBondContact O-CB 3.33Å; E194-H197 PolarHBondContact O-N 2.97Å; F195-H197 VanDerWaalsContact C-N 3.3Å; F195-H197 PolarHBondContact O-N 3.36Å; H197-L199 VanDerWaalsContact C-N 3.29Å; H197-L199 PolarHBondContact O-N 3Å; H197-R200 WeakPolarHBondContact O-CB 3.46Å; H197-R200 PolarHBondContact O-N 3Å; H197-T201 VanDerWaalsContact CE1-CG2 3.47Å; H197-T201 WeakPolarHBondContact CE1-CG2 3.47Å; H197-T201 WeakPolarHBondContact NE2-CG2 3.42Å; H197-T201 WeakPolarHBondContact O-CG2 3.5Å; H197-T201 PolarHBondContact O-N 2.86Å; H197-T201 PolarHBondContact O-OG1 3.07Å
198R82.2Confident79.1Confident33 Ų3354.3 Ų54.313%0.12527%0.271CS..Hα-helixtrans-58.2-41178.1-70.2176.2-177.1-163.82.3112.6W165 E194 F195 R200 T201 V202W165-R198 HydrophobicContact CD2-CB 4.17Å; W165-R198 HydrophobicContact CE3-CB 3.93Å; W165-R198 VanDerWaalsContact CH2-C 3.5Å; W165-R198 HydrophobicContact CH2-CB 3.54Å; W165-R198 WeakPolarHBondContact CH2-O 3.41Å; W165-R198 HydrophobicContact CZ2-CB 3.84Å; W165-R198 HydrophobicContact CZ3-CB 3.59Å; E194-R198 WeakPolarHBondContact O-CG 3.42Å; E194-R198 PolarHBondContact O-N 3.36Å; E194-R198 IonicContact OE1-CZ 3.6Å; E194-R198 IonicContact OE1-NE 2.64Å; E194-R198 PolarHBondContact OE1-NE 3.4Å; E194-R198 IonicContact OE1-NH2 2.9Å; F195-R198 PolarHBondContact O-N 3.02Å; R198-R200 PolarHBondContact O-N 3.32Å; R198-T201 PolarHBondContact O-N 2.97Å; R198-V202 HydrophobicContact CB-CG2 4.38Å; R198-V202 VanDerWaalsContact O-CB 3.26Å; R198-V202 WeakPolarHBondContact O-CB 3.34Å; R198-V202 WeakPolarHBondContact O-CG2 3.28Å; R198-V202 PolarHBondContact O-N 2.9Å
199L81.5Confident78.6Confident0 Ų054.8 Ų54.80%028%0.284CS..Hα-helixtrans-62.5-35178.5-154.192.4000110.8L147 L149 L162 W165 I183 F195 C196 H197 E215 M218L147-L199 HydrophobicContact CD1-CD2 4.35Å; L149-L199 HydrophobicContact CD2-CD2 3.7Å; L162-L199 HydrophobicContact CD2-CD1 3.59Å; W165-L199 HydrophobicContact CZ3-CB 4.18Å; W165-L199 HydrophobicContact CZ3-CD1 3.85Å; I183-L199 HydrophobicContact CD1-CD1 4.09Å; I183-L199 HydrophobicContact CD1-CD2 4.2Å; F195-L199 HydrophobicContact CE1-CD1 4.07Å; F195-L199 PolarHBondContact O-N 3.37Å; C196-L199 PolarHBondContact O-N 3.03Å; H197-L199 VanDerWaalsContact C-N 3.29Å; H197-L199 PolarHBondContact O-N 3Å; L199-E215 HydrophobicContact CD2-CB 4.16Å; L199-E215 HydrophobicContact CD2-CG 4.36Å; L199-E215 HydrophobicContact CG-CB 3.99Å; L199-E215 HydrophobicContact CG-CG 4.05Å; L199-E215 WeakPolarHBondContact O-CB 3.34Å; L199-E215 PolarHBondContact O-N 2.89Å; L199-M218 VanDerWaalsContact C-CE 3.41Å; L199-M218 HydrophobicContact CB-CE 3.6Å; L199-M218 HydrophobicContact CD2-CB 4.08Å; L199-M218 HydrophobicContact CD2-CE 3.53Å; L199-M218 HydrophobicContact CD2-CG 3.94Å; L199-M218 HydrophobicContact CG-CE 3.81Å
200R76.7Confident78.2Confident118 Ų11852.7 Ų52.745%0.44529%0.292SS..Hα-helixtrans-74.9-35.5174.8-69.7-179.1-179.6160.43.4113.6C196 H197 R198 K214 M218C196-R200 PolarHBondContact O-N 2.76Å; H197-R200 WeakPolarHBondContact O-CB 3.46Å; H197-R200 PolarHBondContact O-N 3Å; R198-R200 PolarHBondContact O-N 3.32Å; R200-K214 WeakPolarHBondContact O-CD 3.35Å; R200-M218 HydrophobicContact CB-CE 4.03Å; R200-M218 HydrophobicContact CG-CE 3.17Å; R200-M218 HydrophobicContact CG-SD 3.3Å; R200-M218 WeakPolarHBondContact CG-SD 3.2Å; R200-M218 VanDerWaalsContact N-CE 3.31Å; R200-M218 PolarHBondContact NE-SD 2.93Å
201T70.6Confident78Confident51 Ų5155.7 Ų55.731%0.31330%0.297SS..Hα-helixtrans-101.7-26.4-166.558.60000114.1H197 R198 K214H197-T201 VanDerWaalsContact CE1-CG2 3.47Å; H197-T201 WeakPolarHBondContact CE1-CG2 3.47Å; H197-T201 WeakPolarHBondContact NE2-CG2 3.42Å; H197-T201 WeakPolarHBondContact O-CG2 3.5Å; H197-T201 PolarHBondContact O-N 2.86Å; H197-T201 PolarHBondContact O-OG1 3.07Å; R198-T201 PolarHBondContact O-N 2.97Å; T201-K214 VanDerWaalsContact O-CD 3.28Å; T201-K214 WeakPolarHBondContact O-CD 3.42Å; T201-K214 WeakPolarHBondContact O-CE 3.36Å; T201-K214 PolarHBondContact O-NZ 2.92Å
202V75.8Confident77.7Confident57 Ų5760.7 Ų60.735%0.34532%0.317SS..SBendtrans-94.9145.2-179-176.60000111.2W165 R198 V204W165-V202 HydrophobicContact CH2-CB 3.89Å; W165-V202 HydrophobicContact CH2-CG1 4.36Å; W165-V202 HydrophobicContact CH2-CG2 4.26Å; W165-V202 HydrophobicContact CZ2-CB 3.82Å; W165-V202 HydrophobicContact CZ2-CG1 3.92Å; W165-V202 HydrophobicContact CZ2-CG2 3.96Å; R198-V202 HydrophobicContact CB-CG2 4.38Å; R198-V202 VanDerWaalsContact O-CB 3.26Å; R198-V202 WeakPolarHBondContact O-CB 3.34Å; R198-V202 WeakPolarHBondContact O-CG2 3.28Å; R198-V202 PolarHBondContact O-N 2.9Å; V202-V204 VanDerWaalsContact C-N 3.32Å; V202-V204 HydrophobicContact CB-CG1 4.2Å; V202-V204 HydrophobicContact CG1-CG1 4.3Å; V202-V204 PolarHBondContact O-N 2.88Å
203K77.9Confident77.1Confident110 Ų11062.7 Ų62.748%0.47833%0.33SS..  trans-79.779.6177.2-58-179.8-179.61760111.3R157 K212 C213 K214R157-K203 PolarHBondContact NH2-O 2.71Å; K203-K212 HydrophobicContact CB-CB 3.84Å; K203-K212 HydrophobicContact CD-CB 3.64Å; K203-K212 HydrophobicContact CG-CB 4.32Å; K203-C213 CarbonylContact C-O 3.53Å; K203-C213 WeakPolarHBondContact CA-O 2.85Å; K203-K214 HydrophobicContact CG-CG 3.9Å
204V78.6Confident77Confident0 Ų060.5 Ų60.50%032%0.321CS..  trans-79.9-29.6-174.6-57.60000114Y158 L161 W165 V202 C213 E215Y158-V204 HydrophobicContact CD2-CB 4.18Å; Y158-V204 HydrophobicContact CD2-CG2 4.07Å; Y158-V204 HydrophobicContact CE2-CB 3.98Å; Y158-V204 HydrophobicContact CE2-CG2 3.44Å; Y158-V204 VanDerWaalsContact CE2-CG2 3.44Å; L161-V204 HydrophobicContact CD2-CB 3.82Å; L161-V204 HydrophobicContact CD2-CG1 3.51Å; W165-V204 HydrophobicContact CH2-CG1 3.18Å; W165-V204 HydrophobicContact CZ2-CG1 3.93Å; W165-V204 HydrophobicContact CZ3-CG1 3.87Å; V202-V204 VanDerWaalsContact C-N 3.32Å; V202-V204 HydrophobicContact CB-CG1 4.2Å; V202-V204 HydrophobicContact CG1-CG1 4.3Å; V202-V204 PolarHBondContact O-N 2.88Å; V204-C213 PolarHBondContact N-O 2.85Å; V204-E215 HydrophobicContact CG2-CB 4.46Å; V204-E215 HydrophobicContact CG2-CG 3.46Å; V204-E215 VanDerWaalsContact CG2-CG 3.46Å
205D77.1Confident76.7Confident1 Ų157.6 Ų57.61%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-121.4-165.1-175.6-160.417.4000112H151 R153 S154 R157 Y158 K212 C213H151-D205 IonicContact CD2-OD2 3.41Å; R153-D205 PolarHBondContact N-OD1 3.17Å; R153-D205 PolarHBondContact N-OD2 2.95Å; S154-D205 WeakPolarHBondContact CB-OD1 3.49Å; S154-D205 PolarHBondContact N-OD1 3.44Å; R157-D205 PolarHBondContact NH1-O 3.48Å; Y158-D205 HydrophobicContact CD2-CB 4.07Å; Y158-D205 HydrophobicContact CE2-CB 4.23Å; D205-K212 CarbonylContact O-C 3.57Å; D205-K212 WeakPolarHBondContact O-CA 3.38Å; D205-C213 PolarHBondContact N-O 2.83Å; D205-C213 PolarHBondContact O-N 2.84Å
206V76Confident75.9Confident29 Ų2966.4 Ų66.418%0.17634%0.341CS..EExtended strand (participates in β ladder)trans-126.1145.3171.9-61.90000111.1R153 K211R153-V206 HydrophobicContact CB-CG2 3.56Å; R153-V206 WeakPolarHBondContact CD-O 3.36Å; R153-V206 PolarHBondContact NH1-O 3.19Å; V206-K211 CarbonylContact C-O 3.57Å; V206-K211 WeakPolarHBondContact CA-O 3.29Å
207D74.6Confident75.5Confident44 Ų4472.9 Ų72.924%0.23537%0.371CS..  trans-74.5178.2175.468.715.2000111.5R153 S209 G210 K211 C213R153-D207 WeakPolarHBondContact CD-O 3.37Å; D207-S209 PolarHBondContact O-N 2.88Å; D207-S209 VanDerWaalsContact O-N 3.1Å; D207-S209 VanDerWaalsContact OD1-CA 3.23Å; D207-S209 WeakPolarHBondContact OD1-CA 3.32Å; D207-S209 VanDerWaalsContact OD1-CB 3.3Å; D207-S209 WeakPolarHBondContact OD1-CB 3.49Å; D207-S209 PolarHBondContact OD1-N 2.86Å; D207-G210 PolarHBondContact O-N 2.8Å; D207-G210 PolarHBondContact OD1-N 2.9Å; D207-K211 PolarHBondContact N-O 3.39Å; D207-K211 PolarHBondContact OD1-N 3.34Å; D207-K211 WeakPolarHBondContact OD2-CB 3.48Å; D207-C213 HydrophobicContact CB-CB 4.14Å
208S76.4Confident75.7Confident103 Ų10368.5 Ų68.572%0.7235%0.351SS*.THydrogen-bonded Turntrans-62.2-15.3176.853.50000113.4R153R153-S208 VanDerWaalsContact CZ-N 3.29Å
209S72.1Confident75.4Confident93 Ų9373.1 Ų73.165%0.6537%0.372SS*.THydrogen-bonded Turntrans-98.94.7176-550000112.7D207 K211D207-S209 PolarHBondContact O-N 2.88Å; D207-S209 VanDerWaalsContact O-N 3.1Å; D207-S209 VanDerWaalsContact OD1-CA 3.23Å; D207-S209 WeakPolarHBondContact OD1-CA 3.32Å; D207-S209 VanDerWaalsContact OD1-CB 3.3Å; D207-S209 WeakPolarHBondContact OD1-CB 3.49Å; D207-S209 PolarHBondContact OD1-N 2.86Å; S209-K211 VanDerWaalsContact C-N 3.34Å; S209-K211 PolarHBondContact O-N 2.96Å
210G71.1Confident75.4Confident52 Ų5276 Ų7654%0.53639%0.389SS..SBendtrans79.15.5-179.600000115.4D207D207-G210 PolarHBondContact O-N 2.8Å; D207-G210 PolarHBondContact OD1-N 2.9Å
211K73.3Confident75.3Confident146 Ų14672.1 Ų72.164%0.63538%0.377SS*.  trans-82.6146.5177.6-59175.9179.1172.10110.4V206 D207 S209 C213V206-K211 CarbonylContact C-O 3.57Å; V206-K211 WeakPolarHBondContact CA-O 3.29Å; D207-K211 PolarHBondContact N-O 3.39Å; D207-K211 PolarHBondContact OD1-N 3.34Å; D207-K211 WeakPolarHBondContact OD2-CB 3.48Å; S209-K211 VanDerWaalsContact C-N 3.34Å; S209-K211 PolarHBondContact O-N 2.96Å; K211-C213 PolarHBondContact O-N 2.82Å
212K76.7Confident75.4Confident138 Ų13870.3 Ų70.360%0.637%0.368SS*.EExtended strand (participates in β ladder)trans-56121.5-180-62.2-176.2-179.1175.70111.3K203 D205K203-K212 HydrophobicContact CB-CB 3.84Å; K203-K212 HydrophobicContact CD-CB 3.64Å; K203-K212 HydrophobicContact CG-CB 4.32Å; D205-K212 CarbonylContact O-C 3.57Å; D205-K212 WeakPolarHBondContact O-CA 3.38Å
213C71.2Confident75.6Confident44 Ų4471 Ų7130%0.29737%0.367SS..EExtended strand (participates in β ladder)trans-119.9155.9-175.2-165.50000112K203 V204 D205 D207 K211K203-C213 CarbonylContact C-O 3.53Å; K203-C213 WeakPolarHBondContact CA-O 2.85Å; V204-C213 PolarHBondContact N-O 2.85Å; D205-C213 PolarHBondContact N-O 2.83Å; D205-C213 PolarHBondContact O-N 2.84Å; D207-C213 HydrophobicContact CB-CB 4.14Å; K211-C213 PolarHBondContact O-N 2.82Å
214K77.8Confident75.3Confident65 Ų6568 Ų6828%0.28336%0.358SS..  trans-105.3153.9176.1-49.5-178.3-177.6-157.10109.2R200 T201 K203 R216R200-K214 WeakPolarHBondContact O-CD 3.35Å; T201-K214 VanDerWaalsContact O-CD 3.28Å; T201-K214 WeakPolarHBondContact O-CD 3.42Å; T201-K214 WeakPolarHBondContact O-CE 3.36Å; T201-K214 PolarHBondContact O-NZ 2.92Å; K203-K214 HydrophobicContact CG-CG 3.9Å; K214-R216 HydrophobicContact CB-CG 4.23Å; K214-R216 PolarHBondContact O-N 2.85Å
215E77.1Confident74.9Confident11 Ų1171.2 Ų71.25%0.05138%0.379CS..  trans-82.459.2176.5-64.1-62.7149.500111.6Y158 L199 V204 M217 M218Y158-E215 HydrophobicContact CE2-CG 4.03Å; Y158-E215 WeakPolarHBondContact CE2-OE1 3.25Å; Y158-E215 WeakPolarHBondContact OH-CG 3.4Å; L199-E215 HydrophobicContact CD2-CB 4.16Å; L199-E215 HydrophobicContact CD2-CG 4.36Å; L199-E215 HydrophobicContact CG-CB 3.99Å; L199-E215 HydrophobicContact CG-CG 4.05Å; L199-E215 WeakPolarHBondContact O-CB 3.34Å; L199-E215 PolarHBondContact O-N 2.89Å; V204-E215 HydrophobicContact CG2-CB 4.46Å; V204-E215 HydrophobicContact CG2-CG 3.46Å; V204-E215 VanDerWaalsContact CG2-CG 3.46Å; E215-M217 PolarHBondContact O-N 2.83Å; E215-M217 VanDerWaalsContact O-N 3.1Å; E215-M218 HydrophobicContact CB-CB 4.43Å; E215-M218 HydrophobicContact CB-CE 3.73Å; E215-M218 WeakPolarHBondContact O-CE 3.49Å; E215-M218 PolarHBondContact O-N 2.79Å
216R69.6Low74.4Confident185 Ų18572.4 Ų72.470%0.69838%0.384SS*.THydrogen-bonded Turntrans-62.4-22.7-178-69.7-176.3173.1-178.7-3.5113.4K214K214-R216 HydrophobicContact CB-CG 4.23Å; K214-R216 PolarHBondContact O-N 2.85Å
217M70.9Confident73.3Confident149 Ų14975.1 Ų75.173%0.73440%0.404SS*.THydrogen-bonded Turntrans-1006.8-173.6-59.2-55.1-158.900113.8E215 K219E215-M217 PolarHBondContact O-N 2.83Å; E215-M217 VanDerWaalsContact O-N 3.1Å; M217-K219 PolarHBondContact O-N 3.4Å
218M81.6Confident72.1Confident9 Ų976.9 Ų76.94%0.04442%0.42CS..  trans-61.7141.2176.693.6-69.3-81.100110.6L148 L149 L199 R200 E215L148-M218 VanDerWaalsContact O-CA 3.32Å; L148-M218 WeakPolarHBondContact O-CA 3.28Å; L149-M218 HydrophobicContact CD2-CB 3.95Å; L199-M218 VanDerWaalsContact C-CE 3.41Å; L199-M218 HydrophobicContact CB-CE 3.6Å; L199-M218 HydrophobicContact CD2-CB 4.08Å; L199-M218 HydrophobicContact CD2-CE 3.53Å; L199-M218 HydrophobicContact CD2-CG 3.94Å; L199-M218 HydrophobicContact CG-CE 3.81Å; R200-M218 HydrophobicContact CB-CE 4.03Å; R200-M218 HydrophobicContact CG-CE 3.17Å; R200-M218 HydrophobicContact CG-SD 3.3Å; R200-M218 WeakPolarHBondContact CG-SD 3.2Å; R200-M218 VanDerWaalsContact N-CE 3.31Å; R200-M218 PolarHBondContact NE-SD 2.93Å; E215-M218 HydrophobicContact CB-CB 4.43Å; E215-M218 HydrophobicContact CB-CE 3.73Å; E215-M218 WeakPolarHBondContact O-CE 3.49Å; E215-M218 PolarHBondContact O-N 2.79Å
219K77.1Confident70.5Confident130 Ų13079.5 Ų79.557%0.56543%0.425SS*.EExtended strand (participates in β ladder)trans-108.5133.4176.1-63.1178.5-176.3172.50109.1L147 L148 M217 L221L147-K219 CarbonylContact C-O 3.55Å; L147-K219 WeakPolarHBondContact CA-O 3.33Å; L148-K219 HydrophobicContact CB-CB 4.4Å; L148-K219 PolarHBondContact N-O 2.66Å; L148-K219 PolarHBondContact O-N 3.1Å; M217-K219 PolarHBondContact O-N 3.4Å; K219-L221 HydrophobicContact CB-CD2 4.36Å; K219-L221 PolarHBondContact O-N 2.81Å
220V80.7Confident69.1Low60 Ų6076.5 Ų76.536%0.36440%0.404SS..EExtended strand (participates in β ladder)trans-81.6111.9165.5-1750000105.8L147 E223L147-V220 HydrophobicContact CD2-CB 4.23Å; L147-V220 HydrophobicContact CD2-CG1 4.18Å; L147-V220 HydrophobicContact CD2-CG2 3.79Å; V220-E223 HydrophobicContact CG1-CB 4.43Å
221L75.4Confident67.8Low37 Ų3778.4 Ų78.419%0.19440%0.399CS..EExtended strand (participates in β ladder)trans-81.7-35.2-179.8-64.1-172.8000111.7V146 L148 L182 K219 M264 T267 L268V146-L221 HydrophobicContact CG1-CD1 4.41Å; V146-L221 PolarHBondContact O-N 2.81Å; L148-L221 HydrophobicContact CB-CD1 3.82Å; L148-L221 HydrophobicContact CB-CD2 3.92Å; L148-L221 HydrophobicContact CB-CG 3.74Å; L148-L221 HydrophobicContact CD2-CD2 4.09Å; L182-L221 HydrophobicContact CD2-CD1 3.82Å; K219-L221 HydrophobicContact CB-CD2 4.36Å; K219-L221 PolarHBondContact O-N 2.81Å; L221-M264 HydrophobicContact CB-CG 3.93Å; L221-M264 HydrophobicContact CB-SD 3.39Å; L221-M264 WeakPolarHBondContact CB-SD 3.39Å; L221-M264 HydrophobicContact CD1-CB 4.33Å; L221-M264 HydrophobicContact CD1-CG 4.38Å; L221-M264 HydrophobicContact CD1-SD 3.84Å; L221-M264 HydrophobicContact CG-SD 4.29Å; L221-T267 HydrophobicContact CD2-CG2 3.76Å; L221-L268 HydrophobicContact CD1-CD2 4.04Å
222A73.2Confident66.3Low14 Ų1480.1 Ų80.112%0.11641%0.409CS..EExtended strand (participates in β ladder)trans-154.7147.1178.100000110.7A145 V146 L260 M264A145-A222 VanDerWaalsContact CA-O 3.28Å; A145-A222 WeakPolarHBondContact CA-O 3.29Å; V146-A222 PolarHBondContact N-O 2.64Å; A222-L260 HydrophobicContact CB-CD1 3.91Å; A222-L260 HydrophobicContact CB-CD2 3.75Å; A222-L260 HydrophobicContact CB-CG 3.83Å; A222-M264 HydrophobicContact CB-SD 4.05Å
223E78.4Confident64.8Low71 Ų7177.7 Ų77.733%0.33241%0.409SS..EExtended strand (participates in β ladder)trans-140.9109.1169.9-177.9-176159.600106.8W143 T144 R189 V220W143-E223 HydrophobicContact CE3-CG 3.56Å; W143-E223 HydrophobicContact CZ3-CG 3.77Å; T144-E223 WeakPolarHBondContact O-CA 3.3Å; R189-E223 IonicContact CZ-OE1 2.81Å; R189-E223 IonicContact NE-OE1 3.43Å; R189-E223 PolarHBondContact NE-OE1 3.41Å; R189-E223 IonicContact NH2-OE1 2.83Å; R189-E223 PolarHBondContact NH2-OE1 3.06Å; V220-E223 HydrophobicContact CG1-CB 4.43Å
224T71.9Confident64.1Low47 Ų4776 Ų7629%0.28840%0.397SS..EExtended strand (participates in β ladder)trans-135.2149.1-175.564.50000111.1T144 Y226 L260T144-T224 PolarHBondContact N-O 3.06Å; T144-T224 PolarHBondContact O-N 3.06Å; T224-Y226 PolarHBondContact O-N 3.14Å; T224-L260 HydrophobicContact CG2-CD1 4.01Å; T224-L260 WeakPolarHBondContact OG1-CD1 3.29Å
225P71.8Confident63.4Low68 Ų6880.6 Ų80.644%0.44242%0.419SS..EExtended strand (participates in β ladder)trans-59.8137.6169.124.5-32000110.3Q141Q141-P225 HydrophobicContact CG-CB 4.2Å; Q141-P225 VanDerWaalsContact NE2-CB 3.27Å
226Y66Low63.5Low25 Ų2581.9 Ų81.910%0.09844%0.435CS..PPolyproline II helixtrans-88.5133.2179-172-115.9000110E142 T144 L186 T224 C230 L234E142-Y226 HydrophobicContact CB-CD1 4.2Å; E142-Y226 WeakPolarHBondContact O-CB 3.39Å; E142-Y226 PolarHBondContact O-N 3.19Å; E142-Y226 WeakPolarHBondContact OE2-CD1 3.49Å; T144-Y226 WeakPolarHBondContact OG1-CD2 3.4Å; L186-Y226 HydrophobicContact CD2-CD1 4.49Å; L186-Y226 HydrophobicContact CD2-CD2 3.93Å; L186-Y226 HydrophobicContact CD2-CE1 4.13Å; L186-Y226 HydrophobicContact CD2-CE2 3.5Å; L186-Y226 VanDerWaalsContact CD2-CE2 3.5Å; L186-Y226 HydrophobicContact CD2-CG 4.39Å; T224-Y226 PolarHBondContact O-N 3.14Å; Y226-C230 WeakPolarHBondContact OH-CB 3.15Å; Y226-L234 WeakPolarHBondContact OH-CD1 3.35Å
227S53.6Low64.2Low86 Ų8674.6 Ų74.660%0.60141%0.409SS*.PPolyproline II helixtrans-87122174-173.70000109.1L229S227-L229 PolarHBondContact O-N 2.82Å
228S47.8Very low65Low82 Ų8269.7 Ų69.757%0.57339%0.387SS*.SBendtrans-65.614.5-165.744.20000116.8C230S228-C230 PolarHBondContact O-N 3.45Å; S228-C230 VanDerWaalsContact O-N 3.14Å
229L44.4Very low65.4Low157 Ų15771.6 Ų71.682%0.82240%0.399SS*.THydrogen-bonded Turntrans-74.3-0.5-176.3-72169.1000114.5S227S227-L229 PolarHBondContact O-N 2.82Å
230C42.6Very low65.9Low30 Ų3068.6 Ų68.620%0.20339%0.386CS..THydrogen-bonded Turntrans-139.528.6-170.6-83.30000115.5Y226 S228 H232 N256Y226-C230 WeakPolarHBondContact OH-CB 3.15Å; S228-C230 PolarHBondContact O-N 3.45Å; S228-C230 VanDerWaalsContact O-N 3.14Å; C230-H232 PolarHBondContact O-N 3.43Å; C230-N256 PolarHBondContact SG-ND2 3.24Å
231Q43.4Very low66.2Low93 Ų9371.2 Ų71.244%0.43540%0.398SS..THydrogen-bonded Turntrans-59.1-19.1-178.7-94.5177.9-2100115.7E142E142-Q231 PolarHBondContact OE1-NE2 3.04Å
232H40.6Very low66.8Low182 Ų18270.5 Ų70.584%0.84339%0.393SS*.THydrogen-bonded Turntrans-98.9-20.9-166.3-67.6-97.9000115.8C230C230-H232 PolarHBondContact O-N 3.43Å
233S45.1Very low67.3Low86 Ų8679 Ų7960%0.60143%0.427SS*.THydrogen-bonded Turntrans-102.4-9.2-174.869.90000114.8
234L56.8Low67.6Low9 Ų977.9 Ų77.95%0.04743%0.427CS..  trans-110.911.2-166.1-59.9-175.9000114.8T172 L186 Y226 L255T172-L234 WeakPolarHBondContact CB-O 3.35Å; T172-L234 HydrophobicContact CG2-CB 4.46Å; T172-L234 WeakPolarHBondContact CG2-O 3.49Å; T172-L234 PolarHBondContact OG1-O 3.21Å; L186-L234 HydrophobicContact CD2-CD1 4.13Å; Y226-L234 WeakPolarHBondContact OH-CD1 3.35Å; L234-L255 HydrophobicContact CD1-CD2 3.89Å; L234-L255 HydrophobicContact CD2-CD2 3.34Å; L234-L255 HydrophobicContact CG-CD2 4.23Å
235Q63.1Low68.1Low162 Ų16279.6 Ų79.676%0.75743%0.434SS*.  trans-70139.3-178.3-72.1-175.16.100112.9T172T172-Q235 WeakPolarHBondContact OG1-CA 3.5Å
236G79.1Confident68.7Low37 Ų3780.7 Ų80.738%0.38144%0.444SS..SBendtrans105.2-170.1167.900000115.6C173C173-G236 PolarHBondContact N-O 3.31Å; C173-G236 VanDerWaalsContact N-O 3.07Å
237F85.8Confident69.5Low33 Ų3383.7 Ų83.715%0.14546%0.458CS..EExtended strand (participates in β ladder)trans-104.7126-179.5179.9-94.6000110.1I159 L162 E163 C173 L175 V239I159-F237 HydrophobicContact CG2-CE1 3.8Å; I159-F237 HydrophobicContact CG2-CZ 4.1Å; L162-F237 HydrophobicContact CB-CE2 3.65Å; L162-F237 HydrophobicContact CB-CZ 4.14Å; E163-F237 HydrophobicContact CB-CB 4.36Å; E163-F237 HydrophobicContact CB-CD1 3.59Å; E163-F237 HydrophobicContact CB-CD2 4.05Å; E163-F237 HydrophobicContact CB-CE1 3.78Å; E163-F237 HydrophobicContact CB-CE2 4.24Å; E163-F237 HydrophobicContact CB-CG 3.74Å; E163-F237 HydrophobicContact CB-CZ 4.11Å; E163-F237 HydrophobicContact CG-CB 3.99Å; E163-F237 HydrophobicContact CG-CD1 3.71Å; E163-F237 HydrophobicContact CG-CE1 4.34Å; E163-F237 HydrophobicContact CG-CG 3.85Å; C173-F237 HydrophobicContact CB-CD2 3.81Å; C173-F237 HydrophobicContact CB-CE2 4.41Å; C173-F237 CarbonylContact O-C 3.56Å; C173-F237 VanDerWaalsContact O-CA 3.28Å; C173-F237 WeakPolarHBondContact O-CA 3.39Å; L175-F237 HydrophobicContact CB-CZ 4.37Å; F237-V239 HydrophobicContact CD1-CG2 4.26Å; F237-V239 HydrophobicContact CE1-CG2 3.31Å; F237-V239 HydrophobicContact CZ-CG2 3.68Å
238V87.5Confident70.9Confident46 Ų4679.6 Ų79.628%0.27943%0.43SS..EExtended strand (participates in β ladder)trans-133.9135.8-180170.10000110.1C173 R174 L175 K240C173-V238 PolarHBondContact O-N 3.23Å; R174-V238 CarbonylContact C-O 3.6Å; R174-V238 VanDerWaalsContact CA-O 3.28Å; R174-V238 WeakPolarHBondContact CA-O 3.36Å; R174-V238 HydrophobicContact CG-CB 4.42Å; L175-V238 PolarHBondContact N-O 2.81Å; V238-K240 HydrophobicContact CG1-CG 4.04Å
239V89.3Confident72.5Confident49 Ų4977.4 Ų77.430%0.29741%0.413SS..EExtended strand (participates in β ladder)trans-109129.6172.6-171.50000108.2I159 L175 L177 F237I159-V239 HydrophobicContact CD1-CG1 4.1Å; I159-V239 HydrophobicContact CD1-CG2 4.2Å; I159-V239 HydrophobicContact CG1-CG2 4.18Å; I159-V239 HydrophobicContact CG2-CG2 3.98Å; L175-V239 HydrophobicContact CB-CG2 4.38Å; L175-V239 HydrophobicContact CD2-CG1 4.32Å; L175-V239 HydrophobicContact CD2-CG2 4.46Å; L175-V239 WeakPolarHBondContact O-CA 3.28Å; L177-V239 HydrophobicContact CD1-CG1 3.49Å; L177-V239 VanDerWaalsContact CD1-CG1 3.49Å; L177-V239 HydrophobicContact CG-CG1 3.95Å; F237-V239 HydrophobicContact CD1-CG2 4.26Å; F237-V239 HydrophobicContact CE1-CG2 3.31Å; F237-V239 HydrophobicContact CZ-CG2 3.68Å
240K88.1Confident74.4Confident66 Ų6672.3 Ų72.329%0.28739%0.393SS..EExtended strand (participates in β ladder)trans-130.2136.4171.6-70-172.1-179.8-175.60109.4L175 L176 L177 V238 V251 E254L175-K240 PolarHBondContact O-N 2.93Å; L176-K240 CarbonylContact C-O 3.5Å; L176-K240 VanDerWaalsContact CA-O 3.29Å; L176-K240 WeakPolarHBondContact CA-O 3.43Å; L176-K240 HydrophobicContact CD2-CB 3.95Å; L177-K240 PolarHBondContact N-O 3.02Å; V238-K240 HydrophobicContact CG1-CG 4.04Å; K240-V251 HydrophobicContact CD-CG2 4.13Å; K240-E254 IonicContact NZ-OE1 3.55Å; K240-E254 PolarHBondContact NZ-OE1 2.96Å; K240-E254 IonicContact NZ-OE2 3.64Å; K240-E254 PolarHBondContact NZ-OE2 2.82Å
241D86.9Confident76.3Confident115 Ų11571.5 Ų71.562%0.61539%0.387SS*.EExtended strand (participates in β ladder)trans-84.8145.9167-60.8-83.3000109.8L177L177-D241 WeakPolarHBondContact CB-OD1 3.38Å; L177-D241 CarbonylContact O-C 3.56Å; L177-D241 VanDerWaalsContact O-CA 3.29Å; L177-D241 WeakPolarHBondContact O-CA 3.31Å
242Y86.9Confident78.1Confident23 Ų2367 Ų679%0.0937%0.367CS..  trans-137.1143.417278.3-83.4000110.9L176 L177 G178 N180 E247 L248L176-Y242 HydrophobicContact CB-CD1 3.97Å; L176-Y242 HydrophobicContact CB-CE1 4.13Å; L177-Y242 VanDerWaalsContact O-CD1 3.3Å; L177-Y242 WeakPolarHBondContact O-CD1 3.43Å; L177-Y242 PolarHBondContact O-N 3.47Å; G178-Y242 VanDerWaalsContact CA-CE1 3.48Å; N180-Y242 PolarHBondContact N-OH 2.84Å; N180-Y242 PolarHBondContact O-OH 2.74Å; Y242-E247 VanDerWaalsContact CA-OE2 3.31Å; Y242-E247 WeakPolarHBondContact CA-OE2 3.37Å; Y242-L248 HydrophobicContact CD1-CD1 4.36Å; Y242-L248 HydrophobicContact CD2-CB 4.06Å; Y242-L248 HydrophobicContact CD2-CD1 4.45Å; Y242-L248 HydrophobicContact CE1-CD1 4.42Å; Y242-L248 HydrophobicContact CE2-CB 4.4Å; Y242-L248 HydrophobicContact CE2-CD2 4.11Å; Y242-L248 HydrophobicContact CG-CD1 4.38Å
243K84.7Confident79.9Confident191 Ų19163.7 Ų63.783%0.8335%0.352SS*.  trans-117.9-14.4-176.6-63.2-178.7-177.1176.50113.2E247K243-E247 PolarHBondContact N-OE2 3.4Å
244S84.8Confident81.5Confident49 Ų4964.3 Ų64.334%0.34335%0.345SS..SBendtrans-140.2157.6-178.670.90000111.6S246 E247 L248S244-S246 PolarHBondContact O-N 3.19Å; S244-E247 PolarHBondContact O-N 3.07Å; S244-E247 WeakPolarHBondContact OG-CG 3.48Å; S244-E247 PolarHBondContact OG-N 3.39Å; S244-L248 PolarHBondContact O-N 3.16Å; S244-L248 VanDerWaalsContact O-N 3.16Å
245L81.8Confident82.3Confident83 Ų8363.9 Ų63.944%0.43534%0.343SS..Hα-helixtrans-61.2-29.7172.1-68.3176000111.7L248 T249 Y261L245-L248 HydrophobicContact CD2-CD2 4.46Å; L245-L248 PolarHBondContact O-N 3.26Å; L245-T249 PolarHBondContact O-N 3.07Å; L245-T249 PolarHBondContact O-OG1 3.3Å; L245-Y261 PolarHBondContact O-OH 3.21Å
246S83.8Confident82.7Confident91 Ų9161.6 Ų61.664%0.63634%0.335SS*.Hα-helixtrans-65.3-40.4176.3-170.80000112.3S244 L248 T249 A250S244-S246 PolarHBondContact O-N 3.19Å; S246-L248 VanDerWaalsContact C-N 3.32Å; S246-T249 PolarHBondContact O-N 3.3Å; S246-A250 PolarHBondContact O-N 3.48Å; S246-A250 VanDerWaalsContact O-N 3.09Å
247E84.3Confident82.6Confident87 Ų8760.4 Ų60.441%0.40732%0.321SS..Hα-helixtrans-66.4-38.4174.4-73.3170.8-161.400111Y242 K243 S244 A250 V251Y242-E247 VanDerWaalsContact CA-OE2 3.31Å; Y242-E247 WeakPolarHBondContact CA-OE2 3.37Å; K243-E247 PolarHBondContact N-OE2 3.4Å; S244-E247 PolarHBondContact O-N 3.07Å; S244-E247 WeakPolarHBondContact OG-CG 3.48Å; S244-E247 PolarHBondContact OG-N 3.39Å; E247-A250 PolarHBondContact O-N 2.96Å; E247-V251 WeakPolarHBondContact O-CG2 3.12Å; E247-V251 PolarHBondContact O-N 3Å
248L83.4Confident81.9Confident1 Ų160.8 Ų60.81%0.00533%0.329CS..Hα-helixtrans-64.7-45.6175.7-169.360.2000111.4L176 L182 Y242 S244 L245 S246 A250 V251 F252 Y261 L268L176-L248 HydrophobicContact CD1-CD1 3.49Å; L176-L248 VanDerWaalsContact CD1-CD1 3.49Å; L182-L248 HydrophobicContact CD1-CD1 3.93Å; L182-L248 HydrophobicContact CD1-CD2 3.9Å; L182-L248 HydrophobicContact CD1-CG 4.5Å; Y242-L248 HydrophobicContact CD1-CD1 4.36Å; Y242-L248 HydrophobicContact CD2-CB 4.06Å; Y242-L248 HydrophobicContact CD2-CD1 4.45Å; Y242-L248 HydrophobicContact CE1-CD1 4.42Å; Y242-L248 HydrophobicContact CE2-CB 4.4Å; Y242-L248 HydrophobicContact CE2-CD2 4.11Å; Y242-L248 HydrophobicContact CG-CD1 4.38Å; S244-L248 PolarHBondContact O-N 3.16Å; S244-L248 VanDerWaalsContact O-N 3.16Å; L245-L248 HydrophobicContact CD2-CD2 4.46Å; L245-L248 PolarHBondContact O-N 3.26Å; S246-L248 VanDerWaalsContact C-N 3.32Å; L248-A250 VanDerWaalsContact C-N 3.32Å; L248-A250 PolarHBondContact O-N 3.22Å; L248-V251 PolarHBondContact O-N 3.39Å; L248-V251 VanDerWaalsContact O-N 3.16Å; L248-F252 HydrophobicContact CD1-CD2 4.16Å; L248-F252 HydrophobicContact CD1-CE2 3.81Å; L248-F252 HydrophobicContact CG-CD2 4.2Å; L248-F252 HydrophobicContact CG-CE2 4.09Å; L248-F252 WeakPolarHBondContact O-CD2 3.45Å; L248-F252 PolarHBondContact O-N 2.84Å; L248-F252 VanDerWaalsContact O-N 3.12Å; L248-Y261 HydrophobicContact CB-CE2 4.39Å; L248-Y261 HydrophobicContact CD2-CE2 3.62Å; L248-Y261 HydrophobicContact CG-CE2 3.63Å; L248-L268 HydrophobicContact CD2-CD1 4.06Å
249T81.4Confident81Confident36 Ų3666.5 Ų66.522%0.22135%0.353CS..Hα-helixtrans-54.4-48174.1-52.10000111.2L245 S246 V251 F252 E253 Y261L245-T249 PolarHBondContact O-N 3.07Å; L245-T249 PolarHBondContact O-OG1 3.3Å; S246-T249 PolarHBondContact O-N 3.3Å; T249-V251 VanDerWaalsContact C-N 3.28Å; T249-V251 PolarHBondContact O-N 3.49Å; T249-F252 PolarHBondContact O-N 3.29Å; T249-E253 HydrophobicContact CG2-CG 4.31Å; T249-E253 WeakPolarHBondContact CG2-OE1 3.42Å; T249-E253 WeakPolarHBondContact O-CG 3.24Å; T249-E253 PolarHBondContact O-N 3.22Å; T249-Y261 HydrophobicContact CG2-CD1 4.29Å; T249-Y261 HydrophobicContact CG2-CE1 4.1Å; T249-Y261 WeakPolarHBondContact OG1-CE1 3.48Å
250A82.6Confident80.2Confident49 Ų4964.7 Ų64.741%0.40534%0.342SS..Hα-helixtrans-60.4-36.1-179.600000112.7S246 E247 L248 E253 E254S246-A250 PolarHBondContact O-N 3.48Å; S246-A250 VanDerWaalsContact O-N 3.09Å; E247-A250 PolarHBondContact O-N 2.96Å; L248-A250 VanDerWaalsContact C-N 3.32Å; L248-A250 PolarHBondContact O-N 3.22Å; A250-E253 PolarHBondContact O-N 3.26Å; A250-E254 WeakPolarHBondContact O-CB 3.4Å; A250-E254 PolarHBondContact O-N 2.92Å
251V83Confident79.5Confident13 Ų1361.6 Ų61.68%0.07933%0.328CS..Hα-helixtrans-66.2-43.4174.1173.50000111.2L176 K240 E247 L248 T249 E253 E254 L255L176-V251 HydrophobicContact CD1-CG1 3.87Å; L176-V251 HydrophobicContact CD2-CG1 3.86Å; K240-V251 HydrophobicContact CD-CG2 4.13Å; E247-V251 WeakPolarHBondContact O-CG2 3.12Å; E247-V251 PolarHBondContact O-N 3Å; L248-V251 PolarHBondContact O-N 3.39Å; L248-V251 VanDerWaalsContact O-N 3.16Å; T249-V251 VanDerWaalsContact C-N 3.28Å; T249-V251 PolarHBondContact O-N 3.49Å; V251-E253 VanDerWaalsContact C-N 3.33Å; V251-E254 PolarHBondContact O-N 3.32Å; V251-L255 HydrophobicContact CG1-CD1 4.12Å; V251-L255 VanDerWaalsContact O-CG 3.24Å; V251-L255 WeakPolarHBondContact O-CG 3.46Å; V251-L255 PolarHBondContact O-N 2.96Å; V251-L255 VanDerWaalsContact O-N 3.16Å
252F80.6Confident78.8Confident0 Ų061.9 Ų61.90%033%0.326CS..Hα-helixtrans-68.7-32.7177.8-83.6-93.5000112.5V146 L176 I184 L248 T249 L255 N256 L257 A258 L260 Y261 M264V146-F252 HydrophobicContact CG1-CZ 4.25Å; V146-F252 HydrophobicContact CG2-CE1 4.12Å; V146-F252 HydrophobicContact CG2-CZ 4.45Å; L176-F252 HydrophobicContact CD1-CE2 4.21Å; I184-F252 HydrophobicContact CD1-CE1 3.92Å; I184-F252 HydrophobicContact CD1-CE2 4.01Å; I184-F252 HydrophobicContact CD1-CZ 3.63Å; I184-F252 HydrophobicContact CG1-CZ 4.19Å; L248-F252 HydrophobicContact CD1-CD2 4.16Å; L248-F252 HydrophobicContact CD1-CE2 3.81Å; L248-F252 HydrophobicContact CG-CD2 4.2Å; L248-F252 HydrophobicContact CG-CE2 4.09Å; L248-F252 WeakPolarHBondContact O-CD2 3.45Å; L248-F252 PolarHBondContact O-N 2.84Å; L248-F252 VanDerWaalsContact O-N 3.12Å; T249-F252 PolarHBondContact O-N 3.29Å; F252-L255 PolarHBondContact O-N 3.3Å; F252-N256 PolarHBondContact O-N 3.16Å; F252-L257 HydrophobicContact CD1-CB 3.67Å; F252-L257 HydrophobicContact CD1-CD1 4.49Å; F252-L257 HydrophobicContact CE1-CB 4.41Å; F252-L257 CarbonylContact O-C 3.57Å; F252-L257 WeakPolarHBondContact O-CA 3.15Å; F252-L257 PolarHBondContact O-N 2.84Å; F252-A258 PolarHBondContact O-N 2.85Å; F252-L260 HydrophobicContact CE1-CD2 4.28Å; F252-Y261 HydrophobicContact CB-CD2 4.39Å; F252-Y261 HydrophobicContact CB-CG 4.01Å; F252-Y261 HydrophobicContact CD1-CD2 4.26Å; F252-Y261 HydrophobicContact CD1-CG 4.33Å; F252-Y261 AromaticContact CD2-CD2 3.51Å; F252-Y261 HydrophobicContact CD2-CD2 3.51Å; F252-Y261 HydrophobicContact CD2-CE2 4.08Å; F252-Y261 HydrophobicContact CD2-CG 4.02Å; F252-Y261 HydrophobicContact CE1-CD2 4.47Å; F252-Y261 AromaticContact CE2-CD2 3.75Å; F252-Y261 HydrophobicContact CE2-CD2 3.75Å; F252-Y261 HydrophobicContact CE2-CE2 4.23Å; F252-Y261 AromaticContact CG-CD2 3.8Å; F252-Y261 HydrophobicContact CG-CD2 3.8Å; F252-Y261 AromaticContact CG-CG 3.87Å; F252-Y261 HydrophobicContact CG-CG 3.87Å; F252-Y261 HydrophobicContact CZ-CD2 4.23Å; F252-M264 HydrophobicContact CD1-CE 4.46Å; F252-M264 HydrophobicContact CE1-CE 3.51Å; F252-M264 HydrophobicContact CZ-CE 3.57Å
253E78.9Confident78Confident112 Ų11267.6 Ų67.652%0.52335%0.353SS..Hα-helixtrans-64.9-45.7171.3-72.3172.5174.700111.7T249 A250 V251 L255 N256 A258T249-E253 HydrophobicContact CG2-CG 4.31Å; T249-E253 WeakPolarHBondContact CG2-OE1 3.42Å; T249-E253 WeakPolarHBondContact O-CG 3.24Å; T249-E253 PolarHBondContact O-N 3.22Å; A250-E253 PolarHBondContact O-N 3.26Å; V251-E253 VanDerWaalsContact C-N 3.33Å; E253-L255 PolarHBondContact O-N 3.23Å; E253-N256 PolarHBondContact O-N 3.31Å; E253-A258 HydrophobicContact CG-CB 4.21Å
254E78.3Confident77.3Confident98 Ų9858.7 Ų58.746%0.45832%0.315SS..Hα-helixtrans-57.2-33.9175-176-171.3169.300112.2K240 A250 V251 N256K240-E254 IonicContact NZ-OE1 3.55Å; K240-E254 PolarHBondContact NZ-OE1 2.96Å; K240-E254 IonicContact NZ-OE2 3.64Å; K240-E254 PolarHBondContact NZ-OE2 2.82Å; A250-E254 WeakPolarHBondContact O-CB 3.4Å; A250-E254 PolarHBondContact O-N 2.92Å; V251-E254 PolarHBondContact O-N 3.32Å; E254-N256 VanDerWaalsContact C-N 3.33Å
255L73.8Confident76.7Confident0 Ų058.6 Ų58.60%031%0.31CS..THydrogen-bonded Turntrans-86.3-0.9179.6-62.7177.7000113.7I184 L234 V251 F252 E253 L257I184-L255 HydrophobicContact CD1-CD1 3.5Å; I184-L255 HydrophobicContact CG2-CD1 4.33Å; L234-L255 HydrophobicContact CD1-CD2 3.89Å; L234-L255 HydrophobicContact CD2-CD2 3.34Å; L234-L255 HydrophobicContact CG-CD2 4.23Å; V251-L255 HydrophobicContact CG1-CD1 4.12Å; V251-L255 VanDerWaalsContact O-CG 3.24Å; V251-L255 WeakPolarHBondContact O-CG 3.46Å; V251-L255 PolarHBondContact O-N 2.96Å; V251-L255 VanDerWaalsContact O-N 3.16Å; F252-L255 PolarHBondContact O-N 3.3Å; E253-L255 PolarHBondContact O-N 3.23Å; L255-L257 HydrophobicContact CB-CB 4.34Å; L255-L257 HydrophobicContact CB-CD1 3.88Å; L255-L257 HydrophobicContact CB-CG 3.93Å; L255-L257 HydrophobicContact CD1-CD1 4.23Å; L255-L257 PolarHBondContact O-N 3.48Å
256N71.5Confident76Confident114 Ų11459.3 Ų59.361%0.6132%0.32SS*.THydrogen-bonded Turntrans54.536.7-169.6-65.2-59.7000113.2C230 F252 E253 E254C230-N256 PolarHBondContact SG-ND2 3.24Å; F252-N256 PolarHBondContact O-N 3.16Å; E253-N256 PolarHBondContact O-N 3.31Å; E254-N256 VanDerWaalsContact C-N 3.33Å
257L76.6Confident75.2Confident13 Ų1358.4 Ų58.47%0.06831%0.31CS..  trans-113.821.7178.8-62.8177.1000112.2T144 I184 F252 L255 E259 L260 Y261T144-L257 HydrophobicContact CG2-CD1 3.82Å; T144-L257 HydrophobicContact CG2-CD2 3.99Å; I184-L257 HydrophobicContact CG2-CD1 3.88Å; F252-L257 HydrophobicContact CD1-CB 3.67Å; F252-L257 HydrophobicContact CD1-CD1 4.49Å; F252-L257 HydrophobicContact CE1-CB 4.41Å; F252-L257 CarbonylContact O-C 3.57Å; F252-L257 WeakPolarHBondContact O-CA 3.15Å; F252-L257 PolarHBondContact O-N 2.84Å; L255-L257 HydrophobicContact CB-CB 4.34Å; L255-L257 HydrophobicContact CB-CD1 3.88Å; L255-L257 HydrophobicContact CB-CG 3.93Å; L255-L257 HydrophobicContact CD1-CD1 4.23Å; L255-L257 PolarHBondContact O-N 3.48Å; L257-E259 VanDerWaalsContact C-N 3.32Å; L257-E259 PolarHBondContact O-N 3.28Å; L257-L260 PolarHBondContact O-N 3.38Å; L257-Y261 PolarHBondContact O-N 3.18Å
258A72.1Confident74.2Confident40 Ų4054.9 Ų54.933%0.33129%0.294SS..Hα-helixtrans-58.5-39.7-176.200000113.1F252 E253 Y261 Q262F252-A258 PolarHBondContact O-N 2.85Å; E253-A258 HydrophobicContact CG-CB 4.21Å; A258-Y261 WeakPolarHBondContact O-CB 3.43Å; A258-Y261 PolarHBondContact O-N 3.46Å; A258-Q262 WeakPolarHBondContact O-CG 3.39Å; A258-Q262 PolarHBondContact O-N 3.09Å; A258-Q262 VanDerWaalsContact O-N 3.14Å
259E69Low73.1Confident166 Ų16658.4 Ų58.478%0.77632%0.319SS*.Hα-helixtrans-65.3-41.2177.4-64.6-176.2176.900112.3L257 Y261 Q262 Q263L257-E259 VanDerWaalsContact C-N 3.32Å; L257-E259 PolarHBondContact O-N 3.28Å; E259-Y261 VanDerWaalsContact C-N 3.31Å; E259-Y261 PolarHBondContact O-N 3.33Å; E259-Q262 PolarHBondContact O-N 2.87Å; E259-Q263 PolarHBondContact O-N 3.17Å
260L70.9Confident71.8Confident12 Ų1262.2 Ų62.26%0.06337%0.366CS..Hα-helixtrans-66.7-36.3177.4-169.7153.1000110.4V146 A222 T224 F252 L257 Q263 M264V146-L260 HydrophobicContact CB-CD2 4.39Å; V146-L260 HydrophobicContact CG2-CD2 3.55Å; A222-L260 HydrophobicContact CB-CD1 3.91Å; A222-L260 HydrophobicContact CB-CD2 3.75Å; A222-L260 HydrophobicContact CB-CG 3.83Å; T224-L260 HydrophobicContact CG2-CD1 4.01Å; T224-L260 WeakPolarHBondContact OG1-CD1 3.29Å; F252-L260 HydrophobicContact CE1-CD2 4.28Å; L257-L260 PolarHBondContact O-N 3.38Å; L260-Q263 PolarHBondContact O-N 3.12Å; L260-M264 HydrophobicContact CD2-CE 3.41Å; L260-M264 VanDerWaalsContact CD2-CE 3.41Å; L260-M264 HydrophobicContact CD2-CG 4.34Å; L260-M264 HydrophobicContact CD2-SD 3.56Å; L260-M264 VanDerWaalsContact CD2-SD 3.56Å; L260-M264 WeakPolarHBondContact O-CG 3.48Å; L260-M264 PolarHBondContact O-N 3.16Å
261Y74.4Confident71.2Confident1 Ų162.9 Ų62.90%0.00436%0.364CS..Hα-helixtrans-61.5-43.2173.5-176.3-116.1000113.2L245 L248 T249 F252 L257 A258 E259 Q263 M264 L265 L268L245-Y261 PolarHBondContact O-OH 3.21Å; L248-Y261 HydrophobicContact CB-CE2 4.39Å; L248-Y261 HydrophobicContact CD2-CE2 3.62Å; L248-Y261 HydrophobicContact CG-CE2 3.63Å; T249-Y261 HydrophobicContact CG2-CD1 4.29Å; T249-Y261 HydrophobicContact CG2-CE1 4.1Å; T249-Y261 WeakPolarHBondContact OG1-CE1 3.48Å; F252-Y261 HydrophobicContact CB-CD2 4.39Å; F252-Y261 HydrophobicContact CB-CG 4.01Å; F252-Y261 HydrophobicContact CD1-CD2 4.26Å; F252-Y261 HydrophobicContact CD1-CG 4.33Å; F252-Y261 AromaticContact CD2-CD2 3.51Å; F252-Y261 HydrophobicContact CD2-CD2 3.51Å; F252-Y261 HydrophobicContact CD2-CE2 4.08Å; F252-Y261 HydrophobicContact CD2-CG 4.02Å; F252-Y261 HydrophobicContact CE1-CD2 4.47Å; F252-Y261 AromaticContact CE2-CD2 3.75Å; F252-Y261 HydrophobicContact CE2-CD2 3.75Å; F252-Y261 HydrophobicContact CE2-CE2 4.23Å; F252-Y261 AromaticContact CG-CD2 3.8Å; F252-Y261 HydrophobicContact CG-CD2 3.8Å; F252-Y261 AromaticContact CG-CG 3.87Å; F252-Y261 HydrophobicContact CG-CG 3.87Å; F252-Y261 HydrophobicContact CZ-CD2 4.23Å; L257-Y261 PolarHBondContact O-N 3.18Å; A258-Y261 WeakPolarHBondContact O-CB 3.43Å; A258-Y261 PolarHBondContact O-N 3.46Å; E259-Y261 VanDerWaalsContact C-N 3.31Å; E259-Y261 PolarHBondContact O-N 3.33Å; Y261-Q263 PolarHBondContact O-N 2.79Å; Y261-M264 PolarHBondContact O-N 3.37Å; Y261-M264 VanDerWaalsContact O-N 3.09Å; Y261-L265 HydrophobicContact CD1-CD1 3.73Å; Y261-L265 HydrophobicContact CE1-CD1 3.32Å; Y261-L265 HydrophobicContact CE1-CG 4.42Å; Y261-L265 HydrophobicContact CE2-CD1 4.5Å; Y261-L265 HydrophobicContact CG-CD1 4.49Å; Y261-L265 PolarHBondContact O-N 3.33Å; Y261-L268 HydrophobicContact CD2-CD1 4.46Å; Y261-L268 HydrophobicContact CE2-CD1 3.93Å
262Q71.3Confident70.6Confident121 Ų12165.5 Ų65.557%0.56538%0.379SS*.Hα-helixtrans-60-34.5177.2-67.8-62.2-36.500112.5A258 E259A258-Q262 WeakPolarHBondContact O-CG 3.39Å; A258-Q262 PolarHBondContact O-N 3.09Å; A258-Q262 VanDerWaalsContact O-N 3.14Å; E259-Q262 PolarHBondContact O-N 2.87Å
263Q69.9Low70Confident142 Ų14269.2 Ų69.266%0.66440%0.4SS*.Hα-helixtrans-71.2-30.1177.1-64.5176.49.100112.8E259 L260 Y261E259-Q263 PolarHBondContact O-N 3.17Å; L260-Q263 PolarHBondContact O-N 3.12Å; Y261-Q263 PolarHBondContact O-N 2.79Å
264M71.3Confident69.5Low5 Ų566.6 Ų66.63%0.02539%0.393CS..Hα-helixtrans-90.7-19.4-178-62.7-175.1-50.500113.7V146 L221 A222 F252 L260 Y261 P266 T267 L268V146-M264 HydrophobicContact CB-CE 4.11Å; V146-M264 HydrophobicContact CB-SD 3.65Å; V146-M264 HydrophobicContact CG1-CE 3.77Å; V146-M264 HydrophobicContact CG1-SD 3.66Å; V146-M264 HydrophobicContact CG2-CE 4.08Å; V146-M264 HydrophobicContact CG2-SD 4.09Å; L221-M264 HydrophobicContact CB-CG 3.93Å; L221-M264 HydrophobicContact CB-SD 3.39Å; L221-M264 WeakPolarHBondContact CB-SD 3.39Å; L221-M264 HydrophobicContact CD1-CB 4.33Å; L221-M264 HydrophobicContact CD1-CG 4.38Å; L221-M264 HydrophobicContact CD1-SD 3.84Å; L221-M264 HydrophobicContact CG-SD 4.29Å; A222-M264 HydrophobicContact CB-SD 4.05Å; F252-M264 HydrophobicContact CD1-CE 4.46Å; F252-M264 HydrophobicContact CE1-CE 3.51Å; F252-M264 HydrophobicContact CZ-CE 3.57Å; L260-M264 HydrophobicContact CD2-CE 3.41Å; L260-M264 VanDerWaalsContact CD2-CE 3.41Å; L260-M264 HydrophobicContact CD2-CG 4.34Å; L260-M264 HydrophobicContact CD2-SD 3.56Å; L260-M264 VanDerWaalsContact CD2-SD 3.56Å; L260-M264 WeakPolarHBondContact O-CG 3.48Å; L260-M264 PolarHBondContact O-N 3.16Å; Y261-M264 PolarHBondContact O-N 3.37Å; Y261-M264 VanDerWaalsContact O-N 3.09Å; M264-P266 VanDerWaalsContact C-N 3.32Å; M264-T267 WeakPolarHBondContact O-CB 3.47Å; M264-T267 PolarHBondContact O-N 2.77Å; M264-L268 HydrophobicContact CB-CD1 4.42Å; M264-L268 PolarHBondContact O-N 3.29Å
265L71.5Confident69Low47 Ų4764.7 Ų64.725%0.24639%0.389CS..Hα-helixtrans-48.7-41.9-177.2-136.8128.5000114.3Y261 T267 L268 S269Y261-L265 HydrophobicContact CD1-CD1 3.73Å; Y261-L265 HydrophobicContact CE1-CD1 3.32Å; Y261-L265 HydrophobicContact CE1-CG 4.42Å; Y261-L265 HydrophobicContact CE2-CD1 4.5Å; Y261-L265 HydrophobicContact CG-CD1 4.49Å; Y261-L265 PolarHBondContact O-N 3.33Å; L265-T267 VanDerWaalsContact C-N 3.27Å; L265-T267 PolarHBondContact O-N 2.98Å; L265-L268 PolarHBondContact O-N 3.38Å; L265-S269 WeakPolarHBondContact O-CB 3.45Å; L265-S269 PolarHBondContact O-N 3.14Å; L265-S269 PolarHBondContact O-OG 3.09Å
266P68Low68.7Low97 Ų9769 Ų6963%0.6342%0.415SS*.Hα-helixtrans-61.7-32.6176.8-23.735000113.7M264M264-P266 VanDerWaalsContact C-N 3.32Å
267T65.9Low68.4Low72 Ų7265.8 Ų65.844%0.44240%0.401SS..Hα-helixtrans-80.1-23.4-179.9-51.20000112.3L221 M264 L265L221-T267 HydrophobicContact CD2-CG2 3.76Å; M264-T267 WeakPolarHBondContact O-CB 3.47Å; M264-T267 PolarHBondContact O-N 2.77Å; L265-T267 VanDerWaalsContact C-N 3.27Å; L265-T267 PolarHBondContact O-N 2.98Å
268L64.2Low67.8Low13 Ų1369.8 Ų69.87%0.06843%0.426CS..Hα-helixtrans-88.8-17.8179.7-64173.6000113.4L148 N180 L182 L221 L248 Y261 M264 L265L148-L268 HydrophobicContact CD1-CD2 4.17Å; N180-L268 PolarHBondContact ND2-O 3.31Å; L182-L268 HydrophobicContact CD1-CD1 4.33Å; L182-L268 HydrophobicContact CD1-CD2 4.21Å; L182-L268 HydrophobicContact CD2-CD2 4.04Å; L221-L268 HydrophobicContact CD1-CD2 4.04Å; L248-L268 HydrophobicContact CD2-CD1 4.06Å; Y261-L268 HydrophobicContact CD2-CD1 4.46Å; Y261-L268 HydrophobicContact CE2-CD1 3.93Å; M264-L268 HydrophobicContact CB-CD1 4.42Å; M264-L268 PolarHBondContact O-N 3.29Å; L265-L268 PolarHBondContact O-N 3.38Å
269S60.5Low67.5Low75 Ų7572.3 Ų72.352%0.52443%0.434SS..  trans-97.8-2.6-175.7-50.90000113.8L265L265-S269 WeakPolarHBondContact O-CB 3.45Å; L265-S269 PolarHBondContact O-N 3.14Å; L265-S269 PolarHBondContact O-OG 3.09Å
270G52.6Low67.3Low117 Ų11763.8 Ų63.8100%1.20640%0.403SS*.  trans-96.60175.200000111.8

Retrieved 270 of 270 residues in 124.6 ms (Link to these results)

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