A0A077ZCW3_TRITR Loading...

Dsrm domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCW3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 335 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
1M36.7Very low70.1Confident233 Ų23372.8 Ų72.8100%1.14840%0.4SS*.  093.80-65.8-111.6-122.900106.8S3M1-S3 VanDerWaalsContact C-N 3.35Å; M1-S3 PolarHBondContact O-N 3.13Å
2A36.5Very low71.8Confident89 Ų8972.8 Ų72.874%0.73640%0.399SS*.  trans-68.7100.3173.800000107.1
3S53.9Low73.2Confident49 Ų4976.5 Ų76.534%0.34341%0.412SS..  trans-79.4151.8-15640.50000111.8M1 E5 N6M1-S3 VanDerWaalsContact C-N 3.35Å; M1-S3 PolarHBondContact O-N 3.13Å; S3-E5 WeakPolarHBondContact CB-OE2 3.29Å; S3-E5 PolarHBondContact O-N 2.74Å; S3-E5 PolarHBondContact OG-OE2 3.1Å; S3-N6 PolarHBondContact O-N 3.35Å; S3-N6 VanDerWaalsContact O-N 3.12Å
4Q58.6Low74.4Confident72 Ų7272.1 Ų72.134%0.33639%0.386SS..THydrogen-bonded Turntrans-54.4-15.8174.3-64.2166.4-71.200112.9N6 L62Q4-N6 PolarHBondContact O-N 2.73Å; Q4-N6 VanDerWaalsContact O-N 3.16Å; Q4-L62 HydrophobicContact CB-CD1 3.57Å; Q4-L62 HydrophobicContact CB-CD2 4.13Å; Q4-L62 HydrophobicContact CG-CD1 4.17Å; Q4-L62 WeakPolarHBondContact O-CD2 3.25Å
5E63.2Low75.5Confident103 Ų10367.7 Ų67.748%0.48136%0.363SS..Hα-helixtrans-53.2-26.4172.4-65.7160.8177.600113.4S3 I7 L8 N9S3-E5 WeakPolarHBondContact CB-OE2 3.29Å; S3-E5 PolarHBondContact O-N 2.74Å; S3-E5 PolarHBondContact OG-OE2 3.1Å; E5-I7 PolarHBondContact O-N 2.84Å; E5-L8 PolarHBondContact O-N 3.47Å; E5-N9 WeakPolarHBondContact O-CB 3.28Å; E5-N9 PolarHBondContact O-N 3.44Å; E5-N9 PolarHBondContact O-ND2 3.01Å; E5-N9 PolarHBondContact O-OD1 3.34Å
6N78.7Confident76.5Confident99 Ų9972 Ų7253%0.52938%0.383SS..Hα-helixtrans-58.2-42.8-176.4-164.2-11.4000113.3S3 Q4 N9 L10S3-N6 PolarHBondContact O-N 3.35Å; S3-N6 VanDerWaalsContact O-N 3.12Å; Q4-N6 PolarHBondContact O-N 2.73Å; Q4-N6 VanDerWaalsContact O-N 3.16Å; N6-N9 PolarHBondContact O-N 2.84Å; N6-L10 PolarHBondContact O-N 2.85Å
7I87.1Confident77.3Confident10 Ų1079.4 Ų79.45%0.05140%0.404CS..Hα-helixtrans-68.1-40179-77.5-172.6000112.1E5 N9 L10 L11 V65 A66 L69 I94 C97E5-I7 PolarHBondContact O-N 2.84Å; I7-N9 VanDerWaalsContact C-N 3.33Å; I7-L10 PolarHBondContact O-N 2.93Å; I7-L11 PolarHBondContact O-N 3.14Å; I7-L11 VanDerWaalsContact O-N 3.11Å; I7-V65 HydrophobicContact CG2-CB 3.75Å; I7-V65 HydrophobicContact CG2-CG1 3.36Å; I7-A66 HydrophobicContact CD1-CB 4.18Å; I7-L69 HydrophobicContact CG2-CD1 4.05Å; I7-I94 HydrophobicContact CD1-CG2 4.27Å; I7-C97 HydrophobicContact CD1-CB 3.19Å; I7-C97 HydrophobicContact CG1-CB 3.59Å
8L89.3Confident77.9Confident34 Ų3480.6 Ų80.618%0.17840%0.404CS..Hα-helixtrans-68.2-38.7178.4-72.2169.3000110.8E5 L10 L11 N12 F24 L62 V65E5-L8 PolarHBondContact O-N 3.47Å; L8-L10 VanDerWaalsContact C-N 3.35Å; L8-L11 WeakPolarHBondContact O-CB 3.36Å; L8-L11 PolarHBondContact O-N 2.59Å; L8-N12 WeakPolarHBondContact O-CB 3.39Å; L8-N12 VanDerWaalsContact O-CG 3.29Å; L8-N12 PolarHBondContact O-N 3.29Å; L8-N12 PolarHBondContact O-ND2 3.41Å; L8-F24 HydrophobicContact CD2-CZ 4.21Å; L8-L62 HydrophobicContact CD1-CD2 3.73Å; L8-L62 HydrophobicContact CD1-CG 4.25Å; L8-L62 HydrophobicContact CG-CD2 3.71Å; L8-V65 HydrophobicContact CD2-CG2 3.94Å
9N88.6Confident78.5Confident80 Ų8089 Ų8943%0.42843%0.43SS..Hα-helixtrans-62.2-43.8175.3-67-6.9000110.7E5 N6 I7 L11 N12 E13E5-N9 WeakPolarHBondContact O-CB 3.28Å; E5-N9 PolarHBondContact O-N 3.44Å; E5-N9 PolarHBondContact O-ND2 3.01Å; E5-N9 PolarHBondContact O-OD1 3.34Å; N6-N9 PolarHBondContact O-N 2.84Å; I7-N9 VanDerWaalsContact C-N 3.33Å; N9-L11 VanDerWaalsContact C-N 3.35Å; N9-L11 PolarHBondContact O-N 2.78Å; N9-N12 PolarHBondContact O-N 2.94Å; N9-N12 VanDerWaalsContact O-N 3.13Å; N9-E13 WeakPolarHBondContact O-CB 3.36Å; N9-E13 WeakPolarHBondContact O-CG 3.17Å; N9-E13 PolarHBondContact O-N 3.29Å
10L88Confident79Confident32 Ų3287.5 Ų87.517%0.16842%0.423CS..Hα-helixtrans-59.2-44.5176.2-169.870.5000112.4N6 I7 L8 Y14 L69 W81 L83N6-L10 PolarHBondContact O-N 2.85Å; I7-L10 PolarHBondContact O-N 2.93Å; L8-L10 VanDerWaalsContact C-N 3.35Å; L10-Y14 PolarHBondContact O-N 2.98Å; L10-Y14 VanDerWaalsContact O-N 3.11Å; L10-L69 HydrophobicContact CD2-CD1 4.02Å; L10-W81 VanDerWaalsContact CD1-O 3.28Å; L10-W81 WeakPolarHBondContact CD1-O 2.98Å; L10-L83 HydrophobicContact CD2-CD1 3.97Å; L10-L83 HydrophobicContact CD2-CG 4.05Å
11L90.9Very high79.5Confident0 Ų091.6 Ų91.60%043%0.434CS..Hα-helixtrans-59.6-48.1173.2167.264.7000111.4I7 L8 N9 Y14 C15 A22 F24 V42 V44 V65 M68 W81I7-L11 PolarHBondContact O-N 3.14Å; I7-L11 VanDerWaalsContact O-N 3.11Å; L8-L11 WeakPolarHBondContact O-CB 3.36Å; L8-L11 PolarHBondContact O-N 2.59Å; N9-L11 VanDerWaalsContact C-N 3.35Å; N9-L11 PolarHBondContact O-N 2.78Å; L11-Y14 PolarHBondContact O-N 2.98Å; L11-C15 WeakPolarHBondContact O-CB 3.46Å; L11-C15 PolarHBondContact O-N 2.97Å; L11-C15 PolarHBondContact O-SG 3.44Å; L11-C15 VanDerWaalsContact O-SG 3.37Å; L11-A22 HydrophobicContact CD1-CB 4.19Å; L11-A22 HydrophobicContact CD2-CB 3.95Å; L11-A22 HydrophobicContact CG-CB 4.22Å; L11-F24 HydrophobicContact CD2-CE1 4.4Å; L11-F24 HydrophobicContact CD2-CE2 4.31Å; L11-F24 HydrophobicContact CD2-CZ 3.57Å; L11-V42 HydrophobicContact CD2-CG2 4.31Å; L11-V44 HydrophobicContact CD1-CG2 3.58Å; L11-V65 HydrophobicContact CB-CG1 3.89Å; L11-V65 HydrophobicContact CD2-CB 4.42Å; L11-V65 HydrophobicContact CD2-CG1 3.92Å; L11-V65 HydrophobicContact CD2-CG2 3.52Å; L11-V65 HydrophobicContact CG-CG1 4.43Å; L11-M68 HydrophobicContact CD1-CE 3.79Å; L11-W81 HydrophobicContact CD1-CH2 4.08Å; L11-W81 HydrophobicContact CD1-CZ3 3.72Å
12N90.5Very high82.1Confident73 Ų7381.3 Ų81.339%0.3939%0.386SS..Hα-helixtrans-63.6-44.2-178.5-75.3-18.1000111.5L8 N9 Y14 C15 M16L8-N12 WeakPolarHBondContact O-CB 3.39Å; L8-N12 VanDerWaalsContact O-CG 3.29Å; L8-N12 PolarHBondContact O-N 3.29Å; L8-N12 PolarHBondContact O-ND2 3.41Å; N9-N12 PolarHBondContact O-N 2.94Å; N9-N12 VanDerWaalsContact O-N 3.13Å; N12-Y14 VanDerWaalsContact C-N 3.31Å; N12-Y14 PolarHBondContact O-N 3.39Å; N12-C15 PolarHBondContact O-N 3.35Å; N12-M16 HydrophobicContact CB-CE 4.43Å; N12-M16 WeakPolarHBondContact O-CB 3.33Å; N12-M16 VanDerWaalsContact O-CG 3.25Å; N12-M16 WeakPolarHBondContact O-CG 3.26Å; N12-M16 PolarHBondContact O-N 3.43Å
13E90.1Very high84.9Confident121 Ų12180 Ų8057%0.56537%0.369SS*.Hα-helixtrans-57.1-45.5175.4-76.4-177.1176.400111.4N9 M16 R17N9-E13 WeakPolarHBondContact O-CB 3.36Å; N9-E13 WeakPolarHBondContact O-CG 3.17Å; N9-E13 PolarHBondContact O-N 3.29Å; E13-M16 HydrophobicContact CG-CE 4.35Å; E13-M16 PolarHBondContact O-N 2.83Å; E13-R17 VanDerWaalsContact O-CB 3.28Å; E13-R17 WeakPolarHBondContact O-CB 3.35Å; E13-R17 PolarHBondContact O-N 3.38Å
14Y89.9Confident86.9Confident14 Ų1480.8 Ų80.86%0.05537%0.366CS..Hα-helixtrans-62.1-50.1174.9-175.9-94.4000111.7L10 L11 N12 M16 R17 Y18 M20 Q80 W81L10-Y14 PolarHBondContact O-N 2.98Å; L10-Y14 VanDerWaalsContact O-N 3.11Å; L11-Y14 PolarHBondContact O-N 2.98Å; N12-Y14 VanDerWaalsContact C-N 3.31Å; N12-Y14 PolarHBondContact O-N 3.39Å; Y14-M16 VanDerWaalsContact C-N 3.32Å; Y14-M16 PolarHBondContact O-N 2.98Å; Y14-R17 PolarHBondContact O-N 3.5Å; Y14-Y18 HydrophobicContact CD1-CD2 4.17Å; Y14-Y18 AromaticContact CD2-CD2 3.59Å; Y14-Y18 HydrophobicContact CD2-CD2 3.59Å; Y14-Y18 AromaticContact CD2-CE2 3.41Å; Y14-Y18 HydrophobicContact CD2-CE2 3.41Å; Y14-Y18 VanDerWaalsContact CD2-CE2 3.41Å; Y14-Y18 HydrophobicContact CE1-CD2 4Å; Y14-Y18 AromaticContact CE2-CD2 3.42Å; Y14-Y18 HydrophobicContact CE2-CD2 3.42Å; Y14-Y18 VanDerWaalsContact CE2-CD2 3.42Å; Y14-Y18 AromaticContact CE2-CE2 3.11Å; Y14-Y18 HydrophobicContact CE2-CE2 3.11Å; Y14-Y18 HydrophobicContact CE2-CG 4.46Å; Y14-Y18 AromaticContact CE2-CZ 3.94Å; Y14-Y18 AromaticContact CG-CD2 3.98Å; Y14-Y18 HydrophobicContact CG-CD2 3.98Å; Y14-Y18 HydrophobicContact CG-CE2 4.26Å; Y14-Y18 AromaticContact CZ-CD2 3.63Å; Y14-Y18 AromaticContact CZ-CE2 3.74Å; Y14-Y18 VanDerWaalsContact O-CD2 3.3Å; Y14-Y18 WeakPolarHBondContact O-CD2 3.18Å; Y14-Y18 PolarHBondContact O-N 3.47Å; Y14-M20 HydrophobicContact CD1-CE 4.24Å; Y14-M20 HydrophobicContact CE1-CE 3.45Å; Y14-M20 VanDerWaalsContact CE1-CE 3.45Å; Y14-Q80 WeakPolarHBondContact CD2-O 3.48Å; Y14-Q80 HydrophobicContact CE2-CB 4.21Å; Y14-Q80 WeakPolarHBondContact CE2-O 3.4Å; Y14-W81 AromaticContact CD1-CD2 3.84Å; Y14-W81 HydrophobicContact CD1-CD2 3.84Å; Y14-W81 AromaticContact CD1-CE2 3.67Å; Y14-W81 AromaticContact CD1-CE3 3.77Å; Y14-W81 HydrophobicContact CD1-CE3 3.77Å; Y14-W81 AromaticContact CD1-CH2 3.41Å; Y14-W81 HydrophobicContact CD1-CH2 3.41Å; Y14-W81 VanDerWaalsContact CD1-CH2 3.41Å; Y14-W81 AromaticContact CD1-CZ2 3.48Å; Y14-W81 HydrophobicContact CD1-CZ2 3.48Å; Y14-W81 VanDerWaalsContact CD1-CZ2 3.48Å; Y14-W81 AromaticContact CD1-CZ3 3.56Å; Y14-W81 HydrophobicContact CD1-CZ3 3.56Å; Y14-W81 HydrophobicContact CD2-CB 4.27Å; Y14-W81 AromaticContact CD2-CD2 3.64Å; Y14-W81 HydrophobicContact CD2-CD2 3.64Å; Y14-W81 AromaticContact CD2-CE2 3.97Å; Y14-W81 HydrophobicContact CD2-CE3 4.01Å; Y14-W81 AromaticContact CD2-CG 3.76Å; Y14-W81 HydrophobicContact CD2-CG 3.76Å; Y14-W81 HydrophobicContact CE1-CD2 4.02Å; Y14-W81 AromaticContact CE1-CE2 3.4Å; Y14-W81 VanDerWaalsContact CE1-CE2 3.4Å; Y14-W81 HydrophobicContact CE1-CE3 4.37Å; Y14-W81 AromaticContact CE1-CH2 3.65Å; Y14-W81 HydrophobicContact CE1-CH2 3.65Å; Y14-W81 AromaticContact CE1-CZ2 3.22Å; Y14-W81 HydrophobicContact CE1-CZ2 3.22Å; Y14-W81 HydrophobicContact CE1-CZ3 4.21Å; Y14-W81 AromaticContact CE1-NE1 3.88Å; Y14-W81 AromaticContact CE2-CD1 3.62Å; Y14-W81 AromaticContact CE2-CD2 3.82Å; Y14-W81 HydrophobicContact CE2-CD2 3.82Å; Y14-W81 AromaticContact CE2-CE2 3.7Å; Y14-W81 AromaticContact CE2-CG 3.79Å; Y14-W81 HydrophobicContact CE2-CG 3.79Å; Y14-W81 HydrophobicContact CE2-CZ2 4.39Å; Y14-W81 AromaticContact CE2-NE1 3.57Å; Y14-W81 AromaticContact CG-CD2 3.64Å; Y14-W81 HydrophobicContact CG-CD2 3.64Å; Y14-W81 AromaticContact CG-CE2 3.94Å; Y14-W81 AromaticContact CG-CE3 3.55Å; Y14-W81 HydrophobicContact CG-CE3 3.55Å; Y14-W81 HydrophobicContact CG-CG 4.25Å; Y14-W81 HydrophobicContact CG-CH2 4.11Å; Y14-W81 HydrophobicContact CG-CZ2 4.19Å; Y14-W81 AromaticContact CG-CZ3 3.8Å; Y14-W81 HydrophobicContact CG-CZ3 3.8Å; Y14-W81 AromaticContact CZ-CD1 3.96Å; Y14-W81 AromaticContact CZ-CE2 3.43Å; Y14-W81 VanDerWaalsContact CZ-CE2 3.43Å; Y14-W81 AromaticContact CZ-CZ2 3.73Å; Y14-W81 AromaticContact CZ-NE1 3.4Å
15C91.1Very high88.6Confident6 Ų680 Ų804%0.04136%0.364CS..Hα-helixtrans-55.9-44.9177.2-76.70000112.3L11 N12 R19 M20L11-C15 WeakPolarHBondContact O-CB 3.46Å; L11-C15 PolarHBondContact O-N 2.97Å; L11-C15 PolarHBondContact O-SG 3.44Å; L11-C15 VanDerWaalsContact O-SG 3.37Å; N12-C15 PolarHBondContact O-N 3.35Å; C15-R19 CarbonylContact O-C 3.44Å; C15-R19 WeakPolarHBondContact O-CA 3.43Å; C15-R19 PolarHBondContact O-N 3.12Å; C15-M20 CarbonylContact C-O 3.58Å; C15-M20 VanDerWaalsContact CB-O 3.29Å; C15-M20 WeakPolarHBondContact CB-O 3.37Å; C15-M20 PolarHBondContact O-N 3.47Å; C15-M20 VanDerWaalsContact O-O 3.09Å
16M90.5Very high90.2Very high137 Ų13779 Ų7968%0.67536%0.362SS*.Hα-helixtrans-63.8-45.4177.1-72.3-173.3-66.800111.8N12 E13 Y14 Y18 R19N12-M16 HydrophobicContact CB-CE 4.43Å; N12-M16 WeakPolarHBondContact O-CB 3.33Å; N12-M16 VanDerWaalsContact O-CG 3.25Å; N12-M16 WeakPolarHBondContact O-CG 3.26Å; N12-M16 PolarHBondContact O-N 3.43Å; E13-M16 HydrophobicContact CG-CE 4.35Å; E13-M16 PolarHBondContact O-N 2.83Å; Y14-M16 VanDerWaalsContact C-N 3.32Å; Y14-M16 PolarHBondContact O-N 2.98Å; M16-Y18 VanDerWaalsContact C-N 3.31Å; M16-Y18 PolarHBondContact O-N 3.3Å; M16-R19 PolarHBondContact O-N 3.41Å
17R90.1Very high91Very high197 Ų19778.2 Ų78.274%0.74336%0.357SS*.Hα-helixtrans-62.2-37.6-178.7-162.7179.4-156168.47.3112.8E13 Y14E13-R17 VanDerWaalsContact O-CB 3.28Å; E13-R17 WeakPolarHBondContact O-CB 3.35Å; E13-R17 PolarHBondContact O-N 3.38Å; Y14-R17 PolarHBondContact O-N 3.5Å
18Y88.5Confident91.2Very high102 Ų10281.1 Ų81.140%0.437%0.373SS..THydrogen-bonded Turntrans-99.78.1-178.4-67.4-83.1000113.8Y14 M16 M20Y14-Y18 HydrophobicContact CD1-CD2 4.17Å; Y14-Y18 AromaticContact CD2-CD2 3.59Å; Y14-Y18 HydrophobicContact CD2-CD2 3.59Å; Y14-Y18 AromaticContact CD2-CE2 3.41Å; Y14-Y18 HydrophobicContact CD2-CE2 3.41Å; Y14-Y18 VanDerWaalsContact CD2-CE2 3.41Å; Y14-Y18 HydrophobicContact CE1-CD2 4Å; Y14-Y18 AromaticContact CE2-CD2 3.42Å; Y14-Y18 HydrophobicContact CE2-CD2 3.42Å; Y14-Y18 VanDerWaalsContact CE2-CD2 3.42Å; Y14-Y18 AromaticContact CE2-CE2 3.11Å; Y14-Y18 HydrophobicContact CE2-CE2 3.11Å; Y14-Y18 HydrophobicContact CE2-CG 4.46Å; Y14-Y18 AromaticContact CE2-CZ 3.94Å; Y14-Y18 AromaticContact CG-CD2 3.98Å; Y14-Y18 HydrophobicContact CG-CD2 3.98Å; Y14-Y18 HydrophobicContact CG-CE2 4.26Å; Y14-Y18 AromaticContact CZ-CD2 3.63Å; Y14-Y18 AromaticContact CZ-CE2 3.74Å; Y14-Y18 VanDerWaalsContact O-CD2 3.3Å; Y14-Y18 WeakPolarHBondContact O-CD2 3.18Å; Y14-Y18 PolarHBondContact O-N 3.47Å; M16-Y18 VanDerWaalsContact C-N 3.31Å; M16-Y18 PolarHBondContact O-N 3.3Å; Y18-M20 PolarHBondContact O-N 2.8Å
19R88.7Confident91.5Very high240 Ų24083 Ų8391%0.90639%0.386SS*.THydrogen-bonded Turntrans51.737.3-176.3-58.2-173.8178.1-176.5-1.1113.2C15 M16C15-R19 CarbonylContact O-C 3.44Å; C15-R19 WeakPolarHBondContact O-CA 3.43Å; C15-R19 PolarHBondContact O-N 3.12Å; M16-R19 PolarHBondContact O-N 3.41Å
20M89Confident91.6Very high59 Ų5982.5 Ų82.529%0.29139%0.386SS..  trans-102.5158.7174-65.9-158.7-72.500110.5Y14 C15 Y18 V44Y14-M20 HydrophobicContact CD1-CE 4.24Å; Y14-M20 HydrophobicContact CE1-CE 3.45Å; Y14-M20 VanDerWaalsContact CE1-CE 3.45Å; C15-M20 CarbonylContact C-O 3.58Å; C15-M20 VanDerWaalsContact CB-O 3.29Å; C15-M20 WeakPolarHBondContact CB-O 3.37Å; C15-M20 PolarHBondContact O-N 3.47Å; C15-M20 VanDerWaalsContact O-O 3.09Å; Y18-M20 PolarHBondContact O-N 2.8Å; M20-V44 HydrophobicContact CB-CG1 4.41Å; M20-V44 HydrophobicContact CE-CG1 3.91Å; M20-V44 HydrophobicContact SD-CG1 4.46Å
21R89.3Confident91.7Very high174 Ų17483.7 Ų83.766%0.65741%0.406SS*.  trans-114.9130.2172.9-175.5-179.8-75.4168.6-5.3109.2
22A92.3Very high91.6Very high17 Ų1786.7 Ų86.714%0.1443%0.425CS..EExtended strand (participates in β ladder)trans-78.8126.4167.400000109.5L11 F24 T43 V44L11-A22 HydrophobicContact CD1-CB 4.19Å; L11-A22 HydrophobicContact CD2-CB 3.95Å; L11-A22 HydrophobicContact CG-CB 4.22Å; A22-F24 HydrophobicContact CB-CE2 3.98Å; A22-F24 HydrophobicContact CB-CZ 4.43Å; A22-T43 WeakPolarHBondContact CA-O 3.46Å; A22-V44 HydrophobicContact CB-CG2 3.98Å
23V94.4Very high91.4Very high61 Ų6188.5 Ų88.537%0.3745%0.45SS..EExtended strand (participates in β ladder)trans-105.4131175.1-178.10000108.6V42 T43V23-V42 CarbonylContact O-C 3.52Å; V23-V42 WeakPolarHBondContact O-CA 3.28Å; V23-T43 PolarHBondContact N-O 2.75Å; V23-T43 PolarHBondContact O-N 3.17Å
24F95.3Very high91.1Very high66 Ų6690.7 Ų90.729%0.28946%0.46SS..EExtended strand (participates in β ladder)trans-115.8111.5178.4-66.8-85.3000110.4L8 L11 A22 I40 R41 V42 R61 V65L8-F24 HydrophobicContact CD2-CZ 4.21Å; L11-F24 HydrophobicContact CD2-CE1 4.4Å; L11-F24 HydrophobicContact CD2-CE2 4.31Å; L11-F24 HydrophobicContact CD2-CZ 3.57Å; A22-F24 HydrophobicContact CB-CE2 3.98Å; A22-F24 HydrophobicContact CB-CZ 4.43Å; F24-I40 HydrophobicContact CB-CG2 4.29Å; F24-I40 HydrophobicContact CD1-CG2 4.18Å; F24-R41 CarbonylContact C-O 3.57Å; F24-R41 VanDerWaalsContact CA-O 3.3Å; F24-R41 WeakPolarHBondContact CA-O 3.5Å; F24-V42 HydrophobicContact CD1-CB 3.96Å; F24-V42 HydrophobicContact CD1-CG2 3.98Å; F24-V42 HydrophobicContact CE1-CB 3.82Å; F24-V42 HydrophobicContact CE1-CG2 3.54Å; F24-V42 HydrophobicContact CZ-CG2 3.95Å; F24-R61 HydrophobicContact CD1-CB 4.43Å; F24-R61 HydrophobicContact CD1-CG 4.02Å; F24-R61 HydrophobicContact CE1-CB 4.33Å; F24-R61 HydrophobicContact CE1-CG 4.37Å; F24-V65 HydrophobicContact CE1-CG2 3.67Å; F24-V65 HydrophobicContact CZ-CG2 3.91Å
25D95.7Very high90.9Very high55 Ų5591.3 Ų91.329%0.29447%0.466SS..EExtended strand (participates in β ladder)trans-103.5126.2179-57.2-45.4000110.5L27 I40 R41D25-L27 HydrophobicContact CB-CD2 4.46Å; D25-L27 PolarHBondContact O-N 3.23Å; D25-I40 CarbonylContact O-C 3.6Å; D25-I40 VanDerWaalsContact O-CA 3.3Å; D25-I40 WeakPolarHBondContact O-CA 3.3Å; D25-R41 HydrophobicContact CB-CB 4.41Å; D25-R41 PolarHBondContact N-O 2.84Å; D25-R41 PolarHBondContact O-N 3.36Å; D25-R41 IonicContact OD2-CZ 3.45Å; D25-R41 IonicContact OD2-NE 3.25Å; D25-R41 PolarHBondContact OD2-NE 3.23Å; D25-R41 IonicContact OD2-NH2 2.76Å; D25-R41 PolarHBondContact OD2-NH2 3.43Å
26L95.9Very high90.8Very high83 Ų8392.7 Ų92.744%0.43548%0.475SS..EExtended strand (participates in β ladder)trans-77.7110.9168178.764.9000109F38 I40L26-F38 HydrophobicContact CD1-CB 4.23Å; L26-F38 HydrophobicContact CD1-CD1 4.16Å; L26-I40 HydrophobicContact CD1-CD1 4.45Å; L26-I40 HydrophobicContact CD1-CG1 3.83Å
27L95.2Very high91Very high82 Ų8288.4 Ų88.443%0.42946%0.457SS..EExtended strand (participates in β ladder)trans-81.2-49.1-177.9-62.5-176.4000112D25 T39 R41 V51D25-L27 HydrophobicContact CB-CD2 4.46Å; D25-L27 PolarHBondContact O-N 3.23Å; L27-T39 HydrophobicContact CB-CG2 4.32Å; L27-T39 HydrophobicContact CD1-CG2 4.19Å; L27-T39 PolarHBondContact N-O 2.88Å; L27-R41 HydrophobicContact CD1-CB 4.05Å; L27-R41 HydrophobicContact CD2-CB 4.22Å; L27-R41 HydrophobicContact CG-CB 4.1Å; L27-V51 HydrophobicContact CD1-CG1 4.12Å; L27-V51 HydrophobicContact CD1-CG2 4.07Å
28N92.9Very high91.2Very high70 Ų7080.6 Ų80.637%0.37443%0.428SS..EExtended strand (participates in β ladder)trans-157.1161.7177.961.643.3000111.5T30 T39N28-T30 HydrophobicContact CB-CG2 4.4Å; N28-T39 PolarHBondContact N-O 3.05Å; N28-T39 PolarHBondContact O-N 3.46Å; N28-T39 WeakPolarHBondContact OD1-CB 3.25Å; N28-T39 PolarHBondContact OD1-OG1 3.32Å
29T94.6Very high91.5Very high74 Ų7476.1 Ų76.145%0.45441%0.412SS..EExtended strand (participates in β ladder)trans-121116.3165-53.70000106.5P36 V37 F38T29-P36 HydrophobicContact CG2-CB 3.86Å; T29-V37 CarbonylContact C-O 3.53Å; T29-V37 WeakPolarHBondContact CA-O 3.5Å; T29-F38 HydrophobicContact CG2-CD1 3.75Å; T29-F38 HydrophobicContact CG2-CE1 3.56Å; T29-F38 HydrophobicContact CG2-CG 4.45Å; T29-F38 HydrophobicContact CG2-CZ 4.13Å; T29-F38 WeakPolarHBondContact OG1-CD1 3.39Å
30T91.6Very high91.9Very high70 Ų7065 Ų6543%0.42937%0.37SS..EExtended strand (participates in β ladder)trans-117.4171.3-179.757.90000110.1N28 P36 V37N28-T30 HydrophobicContact CB-CG2 4.4Å; T30-P36 CarbonylContact O-C 3.54Å; T30-V37 PolarHBondContact N-O 3.34Å; T30-V37 PolarHBondContact O-N 2.92Å
31G89.6Confident92.2Very high57 Ų5766.7 Ų66.759%0.58837%0.373SS*.SBendtrans91.3171.9-178.800000114.2
32P89.3Confident92.5Very high63 Ų6358.4 Ų58.441%0.40934%0.342SS..  trans-70.9155.9-178.830.7-36.2000111.8H34 C35P32-H34 WeakPolarHBondContact CB-CE1 3.39Å; P32-H34 PolarHBondContact O-N 3.41Å; P32-C35 WeakPolarHBondContact CD-O 3.42Å; P32-C35 HydrophobicContact CG-CB 4.07Å; P32-C35 CarbonylContact O-C 3.55Å; P32-C35 PolarHBondContact O-N 3.2Å
33A84.8Confident92.7Very high110 Ų11059.4 Ų59.491%0.90935%0.346SS*.THydrogen-bonded Turntrans-55.1-27.2-179.500000113.9
34H83.9Confident92.6Very high167 Ų16756.5 Ų56.577%0.77333%0.329SS*.THydrogen-bonded Turntrans-87.2-10.9177.364.1-97.4000114.4P32P32-H34 WeakPolarHBondContact CB-CE1 3.39Å; P32-H34 PolarHBondContact O-N 3.41Å
35C85.4Confident92.2Very high27 Ų2755.2 Ų55.218%0.18233%0.334CS..SBendtrans-147.972.5174.4-177.60000109.8P32 C106P32-C35 WeakPolarHBondContact CD-O 3.42Å; P32-C35 HydrophobicContact CG-CB 4.07Å; P32-C35 CarbonylContact O-C 3.55Å; P32-C35 PolarHBondContact O-N 3.2Å; C35-C106 WeakPolarHBondContact CA-SG 3.48Å; C35-C106 WeakPolarHBondContact CB-SG 3.42Å; C35-C106 WeakPolarHBondContact SG-CB 3.29Å; C35-C106 PolarHBondContact SG-O 3.35Å; C35-C106 VanDerWaalsContact SG-O 3.33Å; C35-C106 CovalentContact SG-SG 2.05Å; C35-C106 PolarHBondContact SG-SG 2.99Å
36P90.5Very high91.6Very high36 Ų3658 Ų5823%0.23436%0.358CS..  trans-69.6147.2177.329.9-35.1000110.9T29 T30 F38 C55T29-P36 HydrophobicContact CG2-CB 3.86Å; T30-P36 CarbonylContact O-C 3.54Å; P36-F38 HydrophobicContact CB-CE2 3.87Å; P36-F38 HydrophobicContact CB-CZ 3.95Å; P36-F38 HydrophobicContact CG-CE2 3.7Å; P36-F38 HydrophobicContact CG-CZ 3.94Å; P36-C55 WeakPolarHBondContact O-CA 3.39Å
37V93.2Very high91.1Very high47 Ų4759.6 Ų59.629%0.28537%0.367SS..EExtended strand (participates in β ladder)trans-118.1107.8172.7-179.40000107.5T29 T30 K53T29-V37 CarbonylContact C-O 3.53Å; T29-V37 WeakPolarHBondContact CA-O 3.5Å; T30-V37 PolarHBondContact N-O 3.34Å; T30-V37 PolarHBondContact O-N 2.92Å; V37-K53 HydrophobicContact CG1-CB 4.26Å
38F94.4Very high90.9Very high32 Ų3256.8 Ų56.814%0.1435%0.351CS..EExtended strand (participates in β ladder)trans-85.1129.8176-58.5-84.5000109.1L26 T29 P36 K53 G54 C55 T56 K57 A60L26-F38 HydrophobicContact CD1-CB 4.23Å; L26-F38 HydrophobicContact CD1-CD1 4.16Å; T29-F38 HydrophobicContact CG2-CD1 3.75Å; T29-F38 HydrophobicContact CG2-CE1 3.56Å; T29-F38 HydrophobicContact CG2-CG 4.45Å; T29-F38 HydrophobicContact CG2-CZ 4.13Å; T29-F38 WeakPolarHBondContact OG1-CD1 3.39Å; P36-F38 HydrophobicContact CB-CE2 3.87Å; P36-F38 HydrophobicContact CB-CZ 3.95Å; P36-F38 HydrophobicContact CG-CE2 3.7Å; P36-F38 HydrophobicContact CG-CZ 3.94Å; F38-K53 VanDerWaalsContact O-CA 3.29Å; F38-K53 WeakPolarHBondContact O-CA 3.02Å; F38-G54 PolarHBondContact N-O 2.96Å; F38-G54 PolarHBondContact O-N 3.45Å; F38-C55 VanDerWaalsContact CE2-O 3.3Å; F38-C55 WeakPolarHBondContact CE2-O 3.28Å; F38-T56 VanDerWaalsContact CD2-C 3.47Å; F38-K57 HydrophobicContact CD1-CG 3.71Å; F38-K57 HydrophobicContact CD2-CG 4.43Å; F38-K57 HydrophobicContact CE1-CG 3.91Å; F38-K57 HydrophobicContact CG-CG 3.99Å; F38-K57 HydrophobicContact CZ-CG 4.35Å; F38-A60 HydrophobicContact CB-CB 3.9Å; F38-A60 VanDerWaalsContact O-CB 3.24Å; F38-A60 WeakPolarHBondContact O-CB 3.43Å
39T96.2Very high90.9Very high9 Ų957 Ų576%0.05535%0.354CS..EExtended strand (participates in β ladder)trans-107.8117.2171.8-54.50000108.6L27 N28 V51 G52 K53L27-T39 HydrophobicContact CB-CG2 4.32Å; L27-T39 HydrophobicContact CD1-CG2 4.19Å; L27-T39 PolarHBondContact N-O 2.88Å; N28-T39 PolarHBondContact N-O 3.05Å; N28-T39 PolarHBondContact O-N 3.46Å; N28-T39 WeakPolarHBondContact OD1-CB 3.25Å; N28-T39 PolarHBondContact OD1-OG1 3.32Å; T39-V51 HydrophobicContact CG2-CG1 3.34Å; T39-G52 WeakPolarHBondContact CA-O 3.43Å; T39-K53 HydrophobicContact CG2-CG 4.19Å
40I96.1Very high91Very high6 Ų653.7 Ų53.73%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-120.3136.9-177.5-65.8-180000109.5F24 D25 L26 V51 G52 K57 A60 R61 A64F24-I40 HydrophobicContact CB-CG2 4.29Å; F24-I40 HydrophobicContact CD1-CG2 4.18Å; D25-I40 CarbonylContact O-C 3.6Å; D25-I40 VanDerWaalsContact O-CA 3.3Å; D25-I40 WeakPolarHBondContact O-CA 3.3Å; L26-I40 HydrophobicContact CD1-CD1 4.45Å; L26-I40 HydrophobicContact CD1-CG1 3.83Å; I40-V51 CarbonylContact O-C 3.09Å; I40-V51 WeakPolarHBondContact O-CA 3.29Å; I40-G52 PolarHBondContact N-O 3.31Å; I40-G52 PolarHBondContact O-N 3.22Å; I40-K57 HydrophobicContact CD1-CB 4.28Å; I40-K57 VanDerWaalsContact CD1-O 3.23Å; I40-K57 WeakPolarHBondContact CD1-O 3.43Å; I40-A60 HydrophobicContact CB-CB 4.18Å; I40-A60 HydrophobicContact CD1-CB 3.75Å; I40-A60 HydrophobicContact CG1-CB 3.86Å; I40-R61 HydrophobicContact CD1-CG 3.71Å; I40-R61 HydrophobicContact CG2-CG 4.16Å; I40-A64 WeakPolarHBondContact O-CB 3.37Å
41R96.6Very high91.2Very high94 Ų9453.4 Ų53.436%0.35533%0.333SS..EExtended strand (participates in β ladder)trans-99.4134.6170-178175.161.6-163.60.3109.7F24 D25 L27 A50 V51F24-R41 CarbonylContact C-O 3.57Å; F24-R41 VanDerWaalsContact CA-O 3.3Å; F24-R41 WeakPolarHBondContact CA-O 3.5Å; D25-R41 HydrophobicContact CB-CB 4.41Å; D25-R41 PolarHBondContact N-O 2.84Å; D25-R41 PolarHBondContact O-N 3.36Å; D25-R41 IonicContact OD2-CZ 3.45Å; D25-R41 IonicContact OD2-NE 3.25Å; D25-R41 PolarHBondContact OD2-NE 3.23Å; D25-R41 IonicContact OD2-NH2 2.76Å; D25-R41 PolarHBondContact OD2-NH2 3.43Å; L27-R41 HydrophobicContact CD1-CB 4.05Å; L27-R41 HydrophobicContact CD2-CB 4.22Å; L27-R41 HydrophobicContact CG-CB 4.1Å; R41-A50 CarbonylContact C-O 3.5Å; R41-A50 VanDerWaalsContact CA-O 3.31Å; R41-A50 WeakPolarHBondContact CA-O 3.36Å; R41-V51 HydrophobicContact CB-CG2 4.12Å; R41-V51 HydrophobicContact CG-CG2 4.15Å
42V95.2Very high91.4Very high0 Ų050.7 Ų50.70%031%0.305CS..EExtended strand (participates in β ladder)trans-103.8137.516663.90000109.1L11 V23 F24 V44 T49 A50 A64 V65 M68L11-V42 HydrophobicContact CD2-CG2 4.31Å; V23-V42 CarbonylContact O-C 3.52Å; V23-V42 WeakPolarHBondContact O-CA 3.28Å; F24-V42 HydrophobicContact CD1-CB 3.96Å; F24-V42 HydrophobicContact CD1-CG2 3.98Å; F24-V42 HydrophobicContact CE1-CB 3.82Å; F24-V42 HydrophobicContact CE1-CG2 3.54Å; F24-V42 HydrophobicContact CZ-CG2 3.95Å; V42-V44 HydrophobicContact CG2-CG2 4.22Å; V42-T49 VanDerWaalsContact O-CA 3.28Å; V42-T49 WeakPolarHBondContact O-CA 3.33Å; V42-T49 PolarHBondContact O-OG1 2.68Å; V42-A50 HydrophobicContact CG1-CB 4.12Å; V42-A50 PolarHBondContact N-O 3.36Å; V42-A50 PolarHBondContact O-N 2.96Å; V42-A64 HydrophobicContact CB-CB 4.26Å; V42-A64 HydrophobicContact CG1-CB 4.01Å; V42-A64 WeakPolarHBondContact CG1-O 3.32Å; V42-V65 HydrophobicContact CG2-CG2 4.34Å; V42-M68 HydrophobicContact CG1-CB 4Å; V42-M68 HydrophobicContact CG1-CG 4.38Å; V42-M68 HydrophobicContact CG1-SD 3.97Å; V42-M68 HydrophobicContact CG2-SD 4.32Å
43T94.9Very high91.6Very high38 Ų3853.9 Ų53.923%0.23331%0.312CS..EExtended strand (participates in β ladder)trans-132.4125.4174.8-53.10000108.9A22 V23 Y48A22-T43 WeakPolarHBondContact CA-O 3.46Å; V23-T43 PolarHBondContact N-O 2.75Å; V23-T43 PolarHBondContact O-N 3.17Å; T43-Y48 CarbonylContact C-O 3.58Å; T43-Y48 WeakPolarHBondContact CA-O 3.42Å
44V92.5Very high92Very high0 Ų049.1 Ų49.10%027%0.274CS..EExtended strand (participates in β ladder)trans-124.6111178-175.50000108.6L11 M20 A22 V42 Y48 M68 W81L11-V44 HydrophobicContact CD1-CG2 3.58Å; M20-V44 HydrophobicContact CB-CG1 4.41Å; M20-V44 HydrophobicContact CE-CG1 3.91Å; M20-V44 HydrophobicContact SD-CG1 4.46Å; A22-V44 HydrophobicContact CB-CG2 3.98Å; V42-V44 HydrophobicContact CG2-CG2 4.22Å; V44-Y48 PolarHBondContact N-O 3.31Å; V44-Y48 PolarHBondContact O-N 2.93Å; V44-M68 HydrophobicContact CB-SD 4.3Å; V44-M68 HydrophobicContact CG2-CE 4.06Å; V44-M68 HydrophobicContact CG2-SD 3.63Å; V44-W81 HydrophobicContact CB-CH2 4.45Å; V44-W81 HydrophobicContact CG1-CH2 4.2Å; V44-W81 HydrophobicContact CG2-CH2 4.4Å
45G87.5Confident92.3Very high39 Ų3942.7 Ų42.740%0.40225%0.248SC..THydrogen-bonded Turntrans62.7-147.1-173.500000112.1
46S84.1Confident92.5Very high113 Ų11344.3 Ų44.379%0.7926%0.257SS*.THydrogen-bonded Turntrans-90.8-19.4176.848.30000114
47D84.3Confident92.5Very high118 Ų11847.7 Ų47.763%0.63127%0.268SS*.THydrogen-bonded Turntrans-107.1-22.9-158.4-58.3-13.2000113.2
48Y90.6Very high92.4Very high23 Ų2350.2 Ų50.29%0.0928%0.276CS..EExtended strand (participates in β ladder)trans-116.8114.1-173.6-52.1-74.1000110.3T43 V44 I72 K77 W81T43-Y48 CarbonylContact C-O 3.58Å; T43-Y48 WeakPolarHBondContact CA-O 3.42Å; V44-Y48 PolarHBondContact N-O 3.31Å; V44-Y48 PolarHBondContact O-N 2.93Å; Y48-I72 HydrophobicContact CD1-CD1 3.98Å; Y48-I72 HydrophobicContact CD1-CG1 3.62Å; Y48-I72 HydrophobicContact CE1-CD1 4.32Å; Y48-I72 HydrophobicContact CE1-CG1 3.69Å; Y48-I72 HydrophobicContact CG-CD1 4.47Å; Y48-K77 HydrophobicContact CE1-CD 4.43Å; Y48-K77 WeakPolarHBondContact OH-CD 3.36Å; Y48-W81 AromaticContact CD2-CZ2 3.95Å; Y48-W81 HydrophobicContact CD2-CZ2 3.95Å; Y48-W81 HydrophobicContact CE2-CZ2 4.09Å; Y48-W81 HydrophobicContact CG-CZ2 4.17Å
49T94Very high92.2Very high73 Ų7349.8 Ų49.845%0.44828%0.277SS..EExtended strand (participates in β ladder)trans-140.1131.3172.9-169.80000110.9V42 Q71V42-T49 VanDerWaalsContact O-CA 3.28Å; V42-T49 WeakPolarHBondContact O-CA 3.33Å; V42-T49 PolarHBondContact O-OG1 2.68Å; T49-Q71 PolarHBondContact O-OE1 2.81Å
50A95.3Very high92Very high6 Ų649.3 Ų49.35%0.0528%0.275CS..EExtended strand (participates in β ladder)trans-143.9157.6176.600000111.3R41 V42 N67 M68R41-A50 CarbonylContact C-O 3.5Å; R41-A50 VanDerWaalsContact CA-O 3.31Å; R41-A50 WeakPolarHBondContact CA-O 3.36Å; V42-A50 HydrophobicContact CG1-CB 4.12Å; V42-A50 PolarHBondContact N-O 3.36Å; V42-A50 PolarHBondContact O-N 2.96Å; A50-N67 HydrophobicContact CB-CB 4.21Å; A50-M68 HydrophobicContact CB-CB 3.63Å; A50-M68 HydrophobicContact CB-CG 4.24Å
51V95.9Very high91.9Very high63 Ų6354.4 Ų54.438%0.38229%0.293SS..EExtended strand (participates in β ladder)trans-117.7136.6178.9-179.50000108.9L27 T39 I40 R41 N67L27-V51 HydrophobicContact CD1-CG1 4.12Å; L27-V51 HydrophobicContact CD1-CG2 4.07Å; T39-V51 HydrophobicContact CG2-CG1 3.34Å; I40-V51 CarbonylContact O-C 3.09Å; I40-V51 WeakPolarHBondContact O-CA 3.29Å; R41-V51 HydrophobicContact CB-CG2 4.12Å; R41-V51 HydrophobicContact CG-CG2 4.15Å; V51-N67 PolarHBondContact O-ND2 3.43Å
52G94.8Very high91.7Very high1 Ų150.8 Ų50.81%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-129.1158.2175.800000112.4T39 I40 D63T39-G52 WeakPolarHBondContact CA-O 3.43Å; I40-G52 PolarHBondContact N-O 3.31Å; I40-G52 PolarHBondContact O-N 3.22Å; G52-D63 VanDerWaalsContact CA-OD2 3.25Å; G52-D63 WeakPolarHBondContact CA-OD2 3.43Å
53K94Very high91.6Very high129 Ų12952 Ų5256%0.56129%0.287SS*.EExtended strand (participates in β ladder)trans-127.1144.9-179.2-64.3-179-177.5177.70110.9V37 F38 T39 D63V37-K53 HydrophobicContact CG1-CB 4.26Å; F38-K53 VanDerWaalsContact O-CA 3.29Å; F38-K53 WeakPolarHBondContact O-CA 3.02Å; T39-K53 HydrophobicContact CG2-CG 4.19Å; K53-D63 PolarHBondContact N-OD2 3.41Å; K53-D63 WeakPolarHBondContact O-CB 3.22Å
54G92.6Very high91.5Very high10 Ų1050.1 Ų50.110%0.10328%0.276CS..EExtended strand (participates in β ladder)trans-163.5161.7177.400000113.3F38 T56F38-G54 PolarHBondContact N-O 2.96Å; F38-G54 PolarHBondContact O-N 3.45Å; G54-T56 PolarHBondContact O-N 2.77Å
55C90.1Very high91.6Very high32 Ų3250.1 Ų50.122%0.21628%0.276CS..SBendtrans-73.5-14.9177.1580000113.8P36 F38 S105 C106P36-C55 WeakPolarHBondContact O-CA 3.39Å; F38-C55 VanDerWaalsContact CE2-O 3.3Å; F38-C55 WeakPolarHBondContact CE2-O 3.28Å; C55-S105 WeakPolarHBondContact CB-O 3.36Å; C55-S105 PolarHBondContact SG-O 3.36Å; C55-C106 HydrophobicContact CB-CB 3.58Å
56T90.6Very high91.8Very high61 Ų6148.4 Ų48.437%0.37426%0.258SS..SBendtrans-130.4155.4173.166.70000109F38 G54 Q58 S59 A60F38-T56 VanDerWaalsContact CD2-C 3.47Å; G54-T56 PolarHBondContact O-N 2.77Å; T56-Q58 PolarHBondContact O-N 3.35Å; T56-S59 PolarHBondContact O-N 2.64Å; T56-S59 VanDerWaalsContact O-N 3.17Å; T56-S59 VanDerWaalsContact OG1-CB 3.27Å; T56-S59 WeakPolarHBondContact OG1-CB 3.47Å; T56-S59 PolarHBondContact OG1-N 2.79Å; T56-A60 PolarHBondContact O-N 3.12Å
57K90.6Very high92.3Very high108 Ų10844.4 Ų44.447%0.4723%0.228SC..Hα-helixtrans-55.7-37.7174.8-66-178.9-179.21790111.5F38 I40 A60 R61F38-K57 HydrophobicContact CD1-CG 3.71Å; F38-K57 HydrophobicContact CD2-CG 4.43Å; F38-K57 HydrophobicContact CE1-CG 3.91Å; F38-K57 HydrophobicContact CG-CG 3.99Å; F38-K57 HydrophobicContact CZ-CG 4.35Å; I40-K57 HydrophobicContact CD1-CB 4.28Å; I40-K57 VanDerWaalsContact CD1-O 3.23Å; I40-K57 WeakPolarHBondContact CD1-O 3.43Å; K57-A60 PolarHBondContact O-N 3.36Å; K57-R61 WeakPolarHBondContact O-CG 3.45Å; K57-R61 PolarHBondContact O-N 3.45Å
58Q90.4Very high92.7Very high99 Ų9938.8 Ų38.846%0.46320%0.198SC..Hα-helixtrans-67.7-44.6177.2-175177.9-800112.2T56 A60 R61 L62T56-Q58 PolarHBondContact O-N 3.35Å; Q58-A60 VanDerWaalsContact C-N 3.33Å; Q58-A60 PolarHBondContact O-N 3.14Å; Q58-R61 PolarHBondContact O-N 2.86Å; Q58-L62 HydrophobicContact CG-CD1 4.14Å; Q58-L62 WeakPolarHBondContact O-CG 3.24Å; Q58-L62 PolarHBondContact O-N 3.07Å
59S90.2Very high92.8Very high23 Ų2337.7 Ų37.716%0.16119%0.194CC..Hα-helixtrans-61.3-41.9175.5-1800000111.6T56 R61 L62 D63T56-S59 PolarHBondContact O-N 2.64Å; T56-S59 VanDerWaalsContact O-N 3.17Å; T56-S59 VanDerWaalsContact OG1-CB 3.27Å; T56-S59 WeakPolarHBondContact OG1-CB 3.47Å; T56-S59 PolarHBondContact OG1-N 2.79Å; S59-R61 PolarHBondContact O-N 2.83Å; S59-L62 PolarHBondContact O-N 3.22Å; S59-D63 WeakPolarHBondContact O-CB 3.48Å; S59-D63 PolarHBondContact O-N 3.22Å
60A92.2Very high92.7Very high0 Ų035.9 Ų35.90%018%0.18CC..Hα-helixtrans-64.6-37.817600000113F38 I40 T56 K57 Q58 A64F38-A60 HydrophobicContact CB-CB 3.9Å; F38-A60 VanDerWaalsContact O-CB 3.24Å; F38-A60 WeakPolarHBondContact O-CB 3.43Å; I40-A60 HydrophobicContact CB-CB 4.18Å; I40-A60 HydrophobicContact CD1-CB 3.75Å; I40-A60 HydrophobicContact CG1-CB 3.86Å; T56-A60 PolarHBondContact O-N 3.12Å; K57-A60 PolarHBondContact O-N 3.36Å; Q58-A60 VanDerWaalsContact C-N 3.33Å; Q58-A60 PolarHBondContact O-N 3.14Å; A60-A64 WeakPolarHBondContact O-CB 3.49Å; A60-A64 PolarHBondContact O-N 2.8Å
61R92.6Very high92.4Very high112 Ų11240 Ų4042%0.42320%0.198SC..Hα-helixtrans-62.2-49.2172.1-73.8176.1-166.6160.50.8111F24 I40 K57 Q58 S59 D63 A64 V65F24-R61 HydrophobicContact CD1-CB 4.43Å; F24-R61 HydrophobicContact CD1-CG 4.02Å; F24-R61 HydrophobicContact CE1-CB 4.33Å; F24-R61 HydrophobicContact CE1-CG 4.37Å; I40-R61 HydrophobicContact CD1-CG 3.71Å; I40-R61 HydrophobicContact CG2-CG 4.16Å; K57-R61 WeakPolarHBondContact O-CG 3.45Å; K57-R61 PolarHBondContact O-N 3.45Å; Q58-R61 PolarHBondContact O-N 2.86Å; S59-R61 PolarHBondContact O-N 2.83Å; R61-D63 VanDerWaalsContact C-N 3.34Å; R61-D63 PolarHBondContact O-N 3.27Å; R61-A64 WeakPolarHBondContact O-CB 3.36Å; R61-A64 PolarHBondContact O-N 3.44Å; R61-A64 VanDerWaalsContact O-N 3.13Å; R61-V65 WeakPolarHBondContact O-CG2 3.4Å; R61-V65 PolarHBondContact O-N 3.13Å
62L92.6Very high92.2Very high18 Ų1837 Ų379%0.09418%0.18CC..Hα-helixtrans-59.4-45180-72.5162.7000111.8Q4 L8 Q58 S59 A64 V65 A66Q4-L62 HydrophobicContact CB-CD1 3.57Å; Q4-L62 HydrophobicContact CB-CD2 4.13Å; Q4-L62 HydrophobicContact CG-CD1 4.17Å; Q4-L62 WeakPolarHBondContact O-CD2 3.25Å; L8-L62 HydrophobicContact CD1-CD2 3.73Å; L8-L62 HydrophobicContact CD1-CG 4.25Å; L8-L62 HydrophobicContact CG-CD2 3.71Å; Q58-L62 HydrophobicContact CG-CD1 4.14Å; Q58-L62 WeakPolarHBondContact O-CG 3.24Å; Q58-L62 PolarHBondContact O-N 3.07Å; S59-L62 PolarHBondContact O-N 3.22Å; L62-A64 VanDerWaalsContact C-N 3.32Å; L62-A64 PolarHBondContact O-N 3.04Å; L62-V65 PolarHBondContact O-N 3.41Å; L62-A66 WeakPolarHBondContact O-CB 3.35Å; L62-A66 PolarHBondContact O-N 2.88Å
63D93Very high91.9Very high25 Ų2537 Ų3713%0.13418%0.18CC..Hα-helixtrans-64.5-36.9176-168.876.5000111.4G52 K53 S59 R61 A66 N67 R98G52-D63 VanDerWaalsContact CA-OD2 3.25Å; G52-D63 WeakPolarHBondContact CA-OD2 3.43Å; K53-D63 PolarHBondContact N-OD2 3.41Å; K53-D63 WeakPolarHBondContact O-CB 3.22Å; S59-D63 WeakPolarHBondContact O-CB 3.48Å; S59-D63 PolarHBondContact O-N 3.22Å; R61-D63 VanDerWaalsContact C-N 3.34Å; R61-D63 PolarHBondContact O-N 3.27Å; D63-A66 PolarHBondContact O-N 3.33Å; D63-N67 WeakPolarHBondContact O-CB 3.47Å; D63-N67 PolarHBondContact O-N 3.44Å; D63-N67 PolarHBondContact O-ND2 3.17Å; D63-N67 PolarHBondContact OD2-ND2 2.97Å; D63-R98 IonicContact OD1-CZ 3.87Å; D63-R98 IonicContact OD1-NE 3.22Å; D63-R98 PolarHBondContact OD1-NE 3.18Å; D63-R98 IonicContact OD1-NH2 3.58Å; D63-R98 PolarHBondContact OD1-NH2 3.46Å; D63-R98 IonicContact OD2-NH2 2.88Å
64A94.5Very high91.7Very high0 Ų036.3 Ų36.30%018%0.179CC..Hα-helixtrans-65.2-44.8177.700000111.6I40 V42 A60 R61 L62 N67 M68I40-A64 WeakPolarHBondContact O-CB 3.37Å; V42-A64 HydrophobicContact CB-CB 4.26Å; V42-A64 HydrophobicContact CG1-CB 4.01Å; V42-A64 WeakPolarHBondContact CG1-O 3.32Å; A60-A64 WeakPolarHBondContact O-CB 3.49Å; A60-A64 PolarHBondContact O-N 2.8Å; R61-A64 WeakPolarHBondContact O-CB 3.36Å; R61-A64 PolarHBondContact O-N 3.44Å; R61-A64 VanDerWaalsContact O-N 3.13Å; L62-A64 VanDerWaalsContact C-N 3.32Å; L62-A64 PolarHBondContact O-N 3.04Å; A64-N67 PolarHBondContact O-N 2.94Å; A64-M68 PolarHBondContact O-N 3.4Å
65V93.6Very high91.4Very high0 Ų040.4 Ų40.40%020%0.198CC..Hα-helixtrans-67-41.2176.2-177.10000111.1I7 L8 L11 F24 V42 R61 L62 N67 M68 L69I7-V65 HydrophobicContact CG2-CB 3.75Å; I7-V65 HydrophobicContact CG2-CG1 3.36Å; L8-V65 HydrophobicContact CD2-CG2 3.94Å; L11-V65 HydrophobicContact CB-CG1 3.89Å; L11-V65 HydrophobicContact CD2-CB 4.42Å; L11-V65 HydrophobicContact CD2-CG1 3.92Å; L11-V65 HydrophobicContact CD2-CG2 3.52Å; L11-V65 HydrophobicContact CG-CG1 4.43Å; F24-V65 HydrophobicContact CE1-CG2 3.67Å; F24-V65 HydrophobicContact CZ-CG2 3.91Å; V42-V65 HydrophobicContact CG2-CG2 4.34Å; R61-V65 WeakPolarHBondContact O-CG2 3.4Å; R61-V65 PolarHBondContact O-N 3.13Å; L62-V65 PolarHBondContact O-N 3.41Å; V65-N67 PolarHBondContact O-N 3.11Å; V65-M68 HydrophobicContact CG1-CE 4.49Å; V65-M68 WeakPolarHBondContact O-CB 3.27Å; V65-M68 PolarHBondContact O-N 3.49Å; V65-L69 HydrophobicContact CG1-CD1 4.18Å; V65-L69 HydrophobicContact CG1-CG 4.31Å; V65-L69 WeakPolarHBondContact O-CG 3.47Å; V65-L69 PolarHBondContact O-N 3.34Å
66A92.6Very high91.1Very high2 Ų246.1 Ų46.12%0.01722%0.222CC..Hα-helixtrans-58.3-48.3175.600000111.5I7 L62 D63 M68 L69 E70 I94I7-A66 HydrophobicContact CD1-CB 4.18Å; L62-A66 WeakPolarHBondContact O-CB 3.35Å; L62-A66 PolarHBondContact O-N 2.88Å; D63-A66 PolarHBondContact O-N 3.33Å; A66-M68 VanDerWaalsContact C-N 3.27Å; A66-M68 PolarHBondContact O-N 3.37Å; A66-L69 PolarHBondContact O-N 3Å; A66-E70 WeakPolarHBondContact O-CG 3.31Å; A66-E70 PolarHBondContact O-N 2.92Å; A66-I94 HydrophobicContact CB-CG2 3.75Å
67N93.6Very high90.8Very high30 Ų3046.7 Ų46.716%0.1622%0.219CC..Hα-helixtrans-61.6-36.4177.1-64.9-23.3000111.7A50 V51 D63 A64 V65 E70 Q71A50-N67 HydrophobicContact CB-CB 4.21Å; V51-N67 PolarHBondContact O-ND2 3.43Å; D63-N67 WeakPolarHBondContact O-CB 3.47Å; D63-N67 PolarHBondContact O-N 3.44Å; D63-N67 PolarHBondContact O-ND2 3.17Å; D63-N67 PolarHBondContact OD2-ND2 2.97Å; A64-N67 PolarHBondContact O-N 2.94Å; V65-N67 PolarHBondContact O-N 3.11Å; N67-E70 PolarHBondContact O-N 2.84Å; N67-Q71 WeakPolarHBondContact O-CG 3.46Å; N67-Q71 PolarHBondContact O-N 3.32Å; N67-Q71 VanDerWaalsContact O-N 3.13Å
68M93.5Very high90.3Very high0 Ų042.1 Ų42.10%020%0.199CC..Hα-helixtrans-64.9-47174.8-166.5-169.467.700111.8L11 V42 V44 A50 A64 V65 A66 E70 Q71 I72 W81L11-M68 HydrophobicContact CD1-CE 3.79Å; V42-M68 HydrophobicContact CG1-CB 4Å; V42-M68 HydrophobicContact CG1-CG 4.38Å; V42-M68 HydrophobicContact CG1-SD 3.97Å; V42-M68 HydrophobicContact CG2-SD 4.32Å; V44-M68 HydrophobicContact CB-SD 4.3Å; V44-M68 HydrophobicContact CG2-CE 4.06Å; V44-M68 HydrophobicContact CG2-SD 3.63Å; A50-M68 HydrophobicContact CB-CB 3.63Å; A50-M68 HydrophobicContact CB-CG 4.24Å; A64-M68 PolarHBondContact O-N 3.4Å; V65-M68 HydrophobicContact CG1-CE 4.49Å; V65-M68 WeakPolarHBondContact O-CB 3.27Å; V65-M68 PolarHBondContact O-N 3.49Å; A66-M68 VanDerWaalsContact C-N 3.27Å; A66-M68 PolarHBondContact O-N 3.37Å; M68-E70 VanDerWaalsContact C-N 3.31Å; M68-E70 PolarHBondContact O-N 2.88Å; M68-Q71 WeakPolarHBondContact O-CB 3.48Å; M68-Q71 PolarHBondContact O-N 2.79Å; M68-I72 HydrophobicContact CE-CD1 3.99Å; M68-I72 HydrophobicContact CG-CD1 4.06Å; M68-I72 WeakPolarHBondContact O-CD1 3.24Å; M68-I72 WeakPolarHBondContact O-CG1 3.36Å; M68-I72 PolarHBondContact O-N 2.84Å; M68-W81 HydrophobicContact CE-CH2 3.33Å; M68-W81 HydrophobicContact CE-CZ2 4.25Å; M68-W81 HydrophobicContact CE-CZ3 3.5Å; M68-W81 HydrophobicContact SD-CH2 4.33Å
69L91.7Very high89.8Confident0 Ų042.3 Ų42.30%020%0.203CC..Hα-helixtrans-64.4-36.4177.9-67.4176.3000111.5I7 L10 V65 A66 Q71 I72 V73 W81 L83 I94I7-L69 HydrophobicContact CG2-CD1 4.05Å; L10-L69 HydrophobicContact CD2-CD1 4.02Å; V65-L69 HydrophobicContact CG1-CD1 4.18Å; V65-L69 HydrophobicContact CG1-CG 4.31Å; V65-L69 WeakPolarHBondContact O-CG 3.47Å; V65-L69 PolarHBondContact O-N 3.34Å; A66-L69 PolarHBondContact O-N 3Å; L69-Q71 VanDerWaalsContact C-N 3.34Å; L69-Q71 PolarHBondContact O-N 3.41Å; L69-I72 HydrophobicContact CD2-CD1 4.06Å; L69-I72 PolarHBondContact O-N 2.94Å; L69-V73 VanDerWaalsContact O-CG2 3.24Å; L69-V73 WeakPolarHBondContact O-CG2 3.21Å; L69-V73 PolarHBondContact O-N 3.47Å; L69-W81 HydrophobicContact CD2-CD2 4.09Å; L69-W81 HydrophobicContact CD2-CE3 3.53Å; L69-W81 HydrophobicContact CD2-CZ3 3.99Å; L69-L83 HydrophobicContact CD2-CD1 4.21Å; L69-I94 HydrophobicContact CB-CD1 3.64Å; L69-I94 HydrophobicContact CB-CG1 4.07Å; L69-I94 HydrophobicContact CD1-CG1 4.43Å
70E91.3Very high89.4Confident35 Ų3545.5 Ų45.516%0.16422%0.215CC..Hα-helixtrans-60.2-41.7172.5-75.7177.8-167.200111.8A66 N67 M68 V73 Q74 L91 I94 R98A66-E70 WeakPolarHBondContact O-CG 3.31Å; A66-E70 PolarHBondContact O-N 2.92Å; N67-E70 PolarHBondContact O-N 2.84Å; M68-E70 VanDerWaalsContact C-N 3.31Å; M68-E70 PolarHBondContact O-N 2.88Å; E70-V73 PolarHBondContact O-N 3.49Å; E70-Q74 VanDerWaalsContact O-CG 3.31Å; E70-Q74 WeakPolarHBondContact O-CG 3.43Å; E70-Q74 PolarHBondContact O-N 3.11Å; E70-Q74 VanDerWaalsContact O-N 3.09Å; E70-L91 HydrophobicContact CG-CD2 4.09Å; E70-I94 HydrophobicContact CG-CD1 4.41Å; E70-I94 HydrophobicContact CG-CG2 4.04Å; E70-R98 IonicContact OE1-NH1 3.75Å
71Q90.8Very high89Confident91 Ų9145.7 Ų45.743%0.42522%0.216SC..Hα-helixtrans-64.2-42.5174-71.2175.8-15.200111.8T49 N67 M68 L69 V73 Q74 D75T49-Q71 PolarHBondContact O-OE1 2.81Å; N67-Q71 WeakPolarHBondContact O-CG 3.46Å; N67-Q71 PolarHBondContact O-N 3.32Å; N67-Q71 VanDerWaalsContact O-N 3.13Å; M68-Q71 WeakPolarHBondContact O-CB 3.48Å; M68-Q71 PolarHBondContact O-N 2.79Å; L69-Q71 VanDerWaalsContact C-N 3.34Å; L69-Q71 PolarHBondContact O-N 3.41Å; Q71-V73 VanDerWaalsContact C-N 3.29Å; Q71-V73 PolarHBondContact O-N 2.87Å; Q71-Q74 WeakPolarHBondContact O-CA 3.39Å; Q71-Q74 WeakPolarHBondContact O-CB 3.38Å; Q71-Q74 PolarHBondContact O-N 3.32Å; Q71-D75 PolarHBondContact O-N 3.33Å
72I90.6Very high88.3Confident1 Ų143 Ų431%0.00522%0.223CC..Hα-helixtrans-61.8-37.5177.4-71155.4000111.9Y48 M68 L69 Q74 D75 E76 K77 H78 W81Y48-I72 HydrophobicContact CD1-CD1 3.98Å; Y48-I72 HydrophobicContact CD1-CG1 3.62Å; Y48-I72 HydrophobicContact CE1-CD1 4.32Å; Y48-I72 HydrophobicContact CE1-CG1 3.69Å; Y48-I72 HydrophobicContact CG-CD1 4.47Å; M68-I72 HydrophobicContact CE-CD1 3.99Å; M68-I72 HydrophobicContact CG-CD1 4.06Å; M68-I72 WeakPolarHBondContact O-CD1 3.24Å; M68-I72 WeakPolarHBondContact O-CG1 3.36Å; M68-I72 PolarHBondContact O-N 2.84Å; L69-I72 HydrophobicContact CD2-CD1 4.06Å; L69-I72 PolarHBondContact O-N 2.94Å; I72-Q74 VanDerWaalsContact C-N 3.33Å; I72-D75 PolarHBondContact O-N 3.16Å; I72-E76 PolarHBondContact O-N 2.92Å; I72-K77 HydrophobicContact CG2-CB 4.06Å; I72-K77 PolarHBondContact O-N 3.38Å; I72-H78 HydrophobicContact CG2-CB 4.45Å; I72-W81 HydrophobicContact CD1-CD2 3.79Å; I72-W81 HydrophobicContact CD1-CE3 4.22Å; I72-W81 HydrophobicContact CD1-CG 4.41Å; I72-W81 HydrophobicContact CD1-CH2 3.81Å; I72-W81 HydrophobicContact CD1-CZ2 3.33Å; I72-W81 HydrophobicContact CD1-CZ3 4.22Å; I72-W81 HydrophobicContact CG1-CZ2 4.35Å; I72-W81 VanDerWaalsContact CG2-CD1 3.43Å; I72-W81 HydrophobicContact CG2-CD2 4.46Å; I72-W81 HydrophobicContact CG2-CG 3.95Å
73V89.6Confident87.7Confident1 Ų142.8 Ų42.81%0.00622%0.222CC..Hα-helixtrans-68.4-33174.5174.10000111.6L69 E70 Q71 E76 H78 R87 A90 L91 I94L69-V73 VanDerWaalsContact O-CG2 3.24Å; L69-V73 WeakPolarHBondContact O-CG2 3.21Å; L69-V73 PolarHBondContact O-N 3.47Å; E70-V73 PolarHBondContact O-N 3.49Å; Q71-V73 VanDerWaalsContact C-N 3.29Å; Q71-V73 PolarHBondContact O-N 2.87Å; V73-E76 PolarHBondContact O-N 3.46Å; V73-H78 HydrophobicContact CB-CB 4.29Å; V73-H78 HydrophobicContact CG2-CB 3.6Å; V73-R87 HydrophobicContact CG1-CG 3.68Å; V73-A90 HydrophobicContact CG1-CB 4.27Å; V73-A90 HydrophobicContact CG2-CB 3.85Å; V73-L91 HydrophobicContact CB-CD2 4.26Å; V73-L91 HydrophobicContact CG1-CD2 3.96Å; V73-L91 HydrophobicContact CG1-CG 3.94Å; V73-I94 HydrophobicContact CG2-CD1 3.93Å
74Q88.4Confident87Confident115 Ų11543.6 Ų43.654%0.53723%0.229SC..Hα-helixtrans-69.9-34.7173.8-69.2169.229.300112.3E70 Q71 I72 E76E70-Q74 VanDerWaalsContact O-CG 3.31Å; E70-Q74 WeakPolarHBondContact O-CG 3.43Å; E70-Q74 PolarHBondContact O-N 3.11Å; E70-Q74 VanDerWaalsContact O-N 3.09Å; Q71-Q74 WeakPolarHBondContact O-CA 3.39Å; Q71-Q74 WeakPolarHBondContact O-CB 3.38Å; Q71-Q74 PolarHBondContact O-N 3.32Å; I72-Q74 VanDerWaalsContact C-N 3.33Å; Q74-E76 PolarHBondContact O-N 3.04Å
75D87.2Confident86.1Confident96 Ų9649.2 Ų49.251%0.51326%0.263SS..THydrogen-bonded Turntrans-78.52.6176.3-74.5-3.6000113.8Q71 I72 K77Q71-D75 PolarHBondContact O-N 3.33Å; I72-D75 PolarHBondContact O-N 3.16Å; D75-K77 HydrophobicContact CB-CD 4.26Å; D75-K77 HydrophobicContact CB-CG 4.26Å; D75-K77 PolarHBondContact O-N 2.79Å; D75-K77 VanDerWaalsContact O-N 3.17Å
76E83.4Confident85.7Confident152 Ų15250.6 Ų50.671%0.7128%0.277SS*.THydrogen-bonded Turntrans58.322.4-175.5-55.8-174.3165.500114.2I72 V73 Q74I72-E76 PolarHBondContact O-N 2.92Å; V73-E76 PolarHBondContact O-N 3.46Å; Q74-E76 PolarHBondContact O-N 3.04Å
77K84.6Confident85.3Confident72 Ų7257 Ų5731%0.31330%0.301SS..  trans-96.24.5178.7-67176.9-171.7165.10113.3Y48 I72 D75 L79 Q80Y48-K77 HydrophobicContact CE1-CD 4.43Å; Y48-K77 WeakPolarHBondContact OH-CD 3.36Å; I72-K77 HydrophobicContact CG2-CB 4.06Å; I72-K77 PolarHBondContact O-N 3.38Å; D75-K77 HydrophobicContact CB-CD 4.26Å; D75-K77 HydrophobicContact CB-CG 4.26Å; D75-K77 PolarHBondContact O-N 2.79Å; D75-K77 VanDerWaalsContact O-N 3.17Å; K77-L79 VanDerWaalsContact C-N 3.26Å; K77-L79 PolarHBondContact O-N 3.41Å; K77-Q80 WeakPolarHBondContact O-CB 3.37Å; K77-Q80 PolarHBondContact O-N 2.94Å; K77-Q80 VanDerWaalsContact O-N 3.12Å
78H79.3Confident84.9Confident13 Ų1362.2 Ų62.26%0.0632%0.324CS..G310 helixtrans-62.5-27.5-174.162.4-75.3000114.4I72 V73 Q80 W81 G82 L83 P84 V85I72-H78 HydrophobicContact CG2-CB 4.45Å; V73-H78 HydrophobicContact CB-CB 4.29Å; V73-H78 HydrophobicContact CG2-CB 3.6Å; H78-Q80 PolarHBondContact O-N 3.46Å; H78-W81 PolarHBondContact O-N 2.93Å; H78-W81 VanDerWaalsContact O-N 3.07Å; H78-G82 PolarHBondContact O-N 3.15Å; H78-L83 HydrophobicContact CB-CB 4.03Å; H78-L83 HydrophobicContact CB-CD1 4.29Å; H78-L83 PolarHBondContact O-N 3.06Å; H78-P84 PolarHBondContact CD2-O 3.12Å; H78-P84 PolarHBondContact NE2-O 2.93Å; H78-V85 PolarHBondContact NE2-O 3.06Å; H78-V85 VanDerWaalsContact NE2-O 3.14Å
79L79.9Confident84.4Confident102 Ų10268 Ų6853%0.53435%0.351SS..G310 helixtrans-59.4-34.5175.2-68.8171000112.7K77 W81 G82 V85K77-L79 VanDerWaalsContact C-N 3.26Å; K77-L79 PolarHBondContact O-N 3.41Å; L79-W81 PolarHBondContact O-N 3.44Å; L79-G82 PolarHBondContact O-N 3.28Å; L79-V85 HydrophobicContact CD2-CB 4.28Å; L79-V85 HydrophobicContact CD2-CG1 4.41Å; L79-V85 HydrophobicContact CD2-CG2 3.96Å
80Q81.7Confident84Confident90 Ų9068 Ų6842%0.42135%0.351SS..G310 helixtrans-71.2-25.1179.5-58.6177.749.600111.7Y14 K77 H78 G82Y14-Q80 WeakPolarHBondContact CD2-O 3.48Å; Y14-Q80 HydrophobicContact CE2-CB 4.21Å; Y14-Q80 WeakPolarHBondContact CE2-O 3.4Å; K77-Q80 WeakPolarHBondContact O-CB 3.37Å; K77-Q80 PolarHBondContact O-N 2.94Å; K77-Q80 VanDerWaalsContact O-N 3.12Å; H78-Q80 PolarHBondContact O-N 3.46Å; Q80-G82 VanDerWaalsContact C-N 3.33Å
81W84Confident83.7Confident5 Ų568 Ų682%0.01935%0.352CS..G310 helixtrans-90.26.8-179.5-71.674.5000113.3L10 L11 Y14 V44 Y48 M68 L69 I72 H78 L79 L83L10-W81 VanDerWaalsContact CD1-O 3.28Å; L10-W81 WeakPolarHBondContact CD1-O 2.98Å; L11-W81 HydrophobicContact CD1-CH2 4.08Å; L11-W81 HydrophobicContact CD1-CZ3 3.72Å; Y14-W81 AromaticContact CD1-CD2 3.84Å; Y14-W81 HydrophobicContact CD1-CD2 3.84Å; Y14-W81 AromaticContact CD1-CE2 3.67Å; Y14-W81 AromaticContact CD1-CE3 3.77Å; Y14-W81 HydrophobicContact CD1-CE3 3.77Å; Y14-W81 AromaticContact CD1-CH2 3.41Å; Y14-W81 HydrophobicContact CD1-CH2 3.41Å; Y14-W81 VanDerWaalsContact CD1-CH2 3.41Å; Y14-W81 AromaticContact CD1-CZ2 3.48Å; Y14-W81 HydrophobicContact CD1-CZ2 3.48Å; Y14-W81 VanDerWaalsContact CD1-CZ2 3.48Å; Y14-W81 AromaticContact CD1-CZ3 3.56Å; Y14-W81 HydrophobicContact CD1-CZ3 3.56Å; Y14-W81 HydrophobicContact CD2-CB 4.27Å; Y14-W81 AromaticContact CD2-CD2 3.64Å; Y14-W81 HydrophobicContact CD2-CD2 3.64Å; Y14-W81 AromaticContact CD2-CE2 3.97Å; Y14-W81 HydrophobicContact CD2-CE3 4.01Å; Y14-W81 AromaticContact CD2-CG 3.76Å; Y14-W81 HydrophobicContact CD2-CG 3.76Å; Y14-W81 HydrophobicContact CE1-CD2 4.02Å; Y14-W81 AromaticContact CE1-CE2 3.4Å; Y14-W81 VanDerWaalsContact CE1-CE2 3.4Å; Y14-W81 HydrophobicContact CE1-CE3 4.37Å; Y14-W81 AromaticContact CE1-CH2 3.65Å; Y14-W81 HydrophobicContact CE1-CH2 3.65Å; Y14-W81 AromaticContact CE1-CZ2 3.22Å; Y14-W81 HydrophobicContact CE1-CZ2 3.22Å; Y14-W81 HydrophobicContact CE1-CZ3 4.21Å; Y14-W81 AromaticContact CE1-NE1 3.88Å; Y14-W81 AromaticContact CE2-CD1 3.62Å; Y14-W81 AromaticContact CE2-CD2 3.82Å; Y14-W81 HydrophobicContact CE2-CD2 3.82Å; Y14-W81 AromaticContact CE2-CE2 3.7Å; Y14-W81 AromaticContact CE2-CG 3.79Å; Y14-W81 HydrophobicContact CE2-CG 3.79Å; Y14-W81 HydrophobicContact CE2-CZ2 4.39Å; Y14-W81 AromaticContact CE2-NE1 3.57Å; Y14-W81 AromaticContact CG-CD2 3.64Å; Y14-W81 HydrophobicContact CG-CD2 3.64Å; Y14-W81 AromaticContact CG-CE2 3.94Å; Y14-W81 AromaticContact CG-CE3 3.55Å; Y14-W81 HydrophobicContact CG-CE3 3.55Å; Y14-W81 HydrophobicContact CG-CG 4.25Å; Y14-W81 HydrophobicContact CG-CH2 4.11Å; Y14-W81 HydrophobicContact CG-CZ2 4.19Å; Y14-W81 AromaticContact CG-CZ3 3.8Å; Y14-W81 HydrophobicContact CG-CZ3 3.8Å; Y14-W81 AromaticContact CZ-CD1 3.96Å; Y14-W81 AromaticContact CZ-CE2 3.43Å; Y14-W81 VanDerWaalsContact CZ-CE2 3.43Å; Y14-W81 AromaticContact CZ-CZ2 3.73Å; Y14-W81 AromaticContact CZ-NE1 3.4Å; V44-W81 HydrophobicContact CB-CH2 4.45Å; V44-W81 HydrophobicContact CG1-CH2 4.2Å; V44-W81 HydrophobicContact CG2-CH2 4.4Å; Y48-W81 AromaticContact CD2-CZ2 3.95Å; Y48-W81 HydrophobicContact CD2-CZ2 3.95Å; Y48-W81 HydrophobicContact CE2-CZ2 4.09Å; Y48-W81 HydrophobicContact CG-CZ2 4.17Å; M68-W81 HydrophobicContact CE-CH2 3.33Å; M68-W81 HydrophobicContact CE-CZ2 4.25Å; M68-W81 HydrophobicContact CE-CZ3 3.5Å; M68-W81 HydrophobicContact SD-CH2 4.33Å; L69-W81 HydrophobicContact CD2-CD2 4.09Å; L69-W81 HydrophobicContact CD2-CE3 3.53Å; L69-W81 HydrophobicContact CD2-CZ3 3.99Å; I72-W81 HydrophobicContact CD1-CD2 3.79Å; I72-W81 HydrophobicContact CD1-CE3 4.22Å; I72-W81 HydrophobicContact CD1-CG 4.41Å; I72-W81 HydrophobicContact CD1-CH2 3.81Å; I72-W81 HydrophobicContact CD1-CZ2 3.33Å; I72-W81 HydrophobicContact CD1-CZ3 4.22Å; I72-W81 HydrophobicContact CG1-CZ2 4.35Å; I72-W81 VanDerWaalsContact CG2-CD1 3.43Å; I72-W81 HydrophobicContact CG2-CD2 4.46Å; I72-W81 HydrophobicContact CG2-CG 3.95Å; H78-W81 PolarHBondContact O-N 2.93Å; H78-W81 VanDerWaalsContact O-N 3.07Å; L79-W81 PolarHBondContact O-N 3.44Å; W81-L83 VanDerWaalsContact C-N 3.3Å; W81-L83 HydrophobicContact CB-CD1 3.67Å; W81-L83 PolarHBondContact O-N 2.96Å
82G78.8Confident83.5Confident56 Ų5668.2 Ų68.258%0.57735%0.353SS*.THydrogen-bonded Turntrans75.314.617900000114.6H78 L79 Q80H78-G82 PolarHBondContact O-N 3.15Å; L79-G82 PolarHBondContact O-N 3.28Å; Q80-G82 VanDerWaalsContact C-N 3.33Å
83L80.4Confident83.1Confident12 Ų1271.2 Ų71.26%0.06337%0.371CS..  trans-80155.9174.5-77.5117.6000111.9L10 L69 H78 W81 A90 I94L10-L83 HydrophobicContact CD2-CD1 3.97Å; L10-L83 HydrophobicContact CD2-CG 4.05Å; L69-L83 HydrophobicContact CD2-CD1 4.21Å; H78-L83 HydrophobicContact CB-CB 4.03Å; H78-L83 HydrophobicContact CB-CD1 4.29Å; H78-L83 PolarHBondContact O-N 3.06Å; W81-L83 VanDerWaalsContact C-N 3.3Å; W81-L83 HydrophobicContact CB-CD1 3.67Å; W81-L83 PolarHBondContact O-N 2.96Å; L83-A90 HydrophobicContact CB-CB 4.09Å; L83-A90 HydrophobicContact CD2-CB 3.81Å; L83-I94 HydrophobicContact CD2-CD1 3.96Å; L83-I94 HydrophobicContact CD2-CG1 4Å
84P77.5Confident82.9Confident43 Ų4371.3 Ų71.328%0.27937%0.372SS..  trans-60.2152.1-179.825.3-35.5000112.3H78 G86 E89 A90H78-P84 PolarHBondContact CD2-O 3.12Å; H78-P84 PolarHBondContact NE2-O 2.93Å; P84-G86 PolarHBondContact O-N 3.05Å; P84-E89 HydrophobicContact CB-CB 4.04Å; P84-E89 HydrophobicContact CG-CB 3.74Å; P84-A90 HydrophobicContact CG-CB 4.13Å
85V76.3Confident82.8Confident118 Ų11868.9 Ų68.972%0.71536%0.362SS*.SBendtrans-58.7-36.2-174.9-176.30000111.6H78 L79 R87H78-V85 PolarHBondContact NE2-O 3.06Å; H78-V85 VanDerWaalsContact NE2-O 3.14Å; L79-V85 HydrophobicContact CD2-CB 4.28Å; L79-V85 HydrophobicContact CD2-CG1 4.41Å; L79-V85 HydrophobicContact CD2-CG2 3.96Å; V85-R87 PolarHBondContact O-N 3.09Å
86G84Confident82.5Confident28 Ų2868.3 Ų68.329%0.28936%0.359SS..SBendtrans-71.4122.817700000112.5P84 E88 E89 A90P84-G86 PolarHBondContact O-N 3.05Å; G86-E88 PolarHBondContact O-N 3.4Å; G86-E89 PolarHBondContact O-N 3.36Å; G86-E89 VanDerWaalsContact O-N 3.15Å; G86-A90 WeakPolarHBondContact O-CB 3.5Å; G86-A90 PolarHBondContact O-N 3.37Å
87R84.7Confident82Confident138 Ų13862.5 Ų62.552%0.52134%0.335SS..Hα-helixtrans-51.6-44.6172.4-177.3-177.6174.31700.1112.1V73 V85 A90 L91V73-R87 HydrophobicContact CG1-CG 3.68Å; V85-R87 PolarHBondContact O-N 3.09Å; R87-A90 PolarHBondContact O-N 2.61Å; R87-L91 HydrophobicContact CG-CD1 4.46Å; R87-L91 WeakPolarHBondContact O-CG 3.35Å; R87-L91 PolarHBondContact O-N 3.42Å
88E84.9Confident81.5Confident138 Ų13862.9 Ų62.965%0.64534%0.335SS*.Hα-helixtrans-66.9-41.9-179.9-165.365.2-158.700111.8G86 A90 L91 Q92G86-E88 PolarHBondContact O-N 3.4Å; E88-A90 VanDerWaalsContact C-N 3.32Å; E88-A90 PolarHBondContact O-N 3.16Å; E88-L91 PolarHBondContact O-N 2.85Å; E88-Q92 WeakPolarHBondContact O-CB 3.47Å; E88-Q92 PolarHBondContact O-N 3.11Å
89E83.2Confident80.4Confident121 Ų12165.4 Ų65.457%0.56536%0.357SS*.Hα-helixtrans-66.1-36.6178.1-62.9-177.2163.400111.7P84 G86 Q92 T93P84-E89 HydrophobicContact CB-CB 4.04Å; P84-E89 HydrophobicContact CG-CB 3.74Å; G86-E89 PolarHBondContact O-N 3.36Å; G86-E89 VanDerWaalsContact O-N 3.15Å; E89-Q92 PolarHBondContact O-N 2.93Å; E89-T93 WeakPolarHBondContact O-CB 3.34Å; E89-T93 PolarHBondContact O-N 3.34Å; E89-T93 PolarHBondContact O-OG1 3.45Å
90A83.7Confident79.1Confident0 Ų067 Ų670%036%0.36CS..Hα-helixtrans-64.7-48.3175.800000110.7V73 L83 P84 G86 R87 E88 Q92 T93 I94V73-A90 HydrophobicContact CG1-CB 4.27Å; V73-A90 HydrophobicContact CG2-CB 3.85Å; L83-A90 HydrophobicContact CB-CB 4.09Å; L83-A90 HydrophobicContact CD2-CB 3.81Å; P84-A90 HydrophobicContact CG-CB 4.13Å; G86-A90 WeakPolarHBondContact O-CB 3.5Å; G86-A90 PolarHBondContact O-N 3.37Å; R87-A90 PolarHBondContact O-N 2.61Å; E88-A90 VanDerWaalsContact C-N 3.32Å; E88-A90 PolarHBondContact O-N 3.16Å; A90-Q92 VanDerWaalsContact C-N 3.33Å; A90-Q92 PolarHBondContact O-N 3.47Å; A90-T93 PolarHBondContact O-N 3.21Å; A90-I94 WeakPolarHBondContact O-CD1 3.34Å; A90-I94 VanDerWaalsContact O-CG1 3.31Å; A90-I94 WeakPolarHBondContact O-CG1 3.38Å; A90-I94 PolarHBondContact O-N 3.3Å
91L85.6Confident77.5Confident35 Ų3564.4 Ų64.418%0.18336%0.357CS..Hα-helixtrans-62-39.9174.8-69.1175.6000112E70 V73 R87 E88 T93 I94 N95E70-L91 HydrophobicContact CG-CD2 4.09Å; V73-L91 HydrophobicContact CB-CD2 4.26Å; V73-L91 HydrophobicContact CG1-CD2 3.96Å; V73-L91 HydrophobicContact CG1-CG 3.94Å; R87-L91 HydrophobicContact CG-CD1 4.46Å; R87-L91 WeakPolarHBondContact O-CG 3.35Å; R87-L91 PolarHBondContact O-N 3.42Å; E88-L91 PolarHBondContact O-N 2.85Å; L91-T93 VanDerWaalsContact C-N 3.33Å; L91-T93 PolarHBondContact O-N 2.9Å; L91-I94 PolarHBondContact O-N 3.18Å; L91-N95 VanDerWaalsContact O-CB 3.29Å; L91-N95 WeakPolarHBondContact O-CB 3.47Å; L91-N95 PolarHBondContact O-N 3.29Å; L91-N95 PolarHBondContact O-ND2 3.41Å; L91-N95 VanDerWaalsContact O-ND2 3.08Å
92Q85.2Confident75.6Confident96 Ų9672.3 Ų72.345%0.44939%0.392SS..Hα-helixtrans-63.8-40.7177.1-169.463.733.700111.3E88 E89 A90 N95 N96E88-Q92 WeakPolarHBondContact O-CB 3.47Å; E88-Q92 PolarHBondContact O-N 3.11Å; E89-Q92 PolarHBondContact O-N 2.93Å; A90-Q92 VanDerWaalsContact C-N 3.33Å; A90-Q92 PolarHBondContact O-N 3.47Å; Q92-N95 PolarHBondContact O-N 3.24Å; Q92-N96 PolarHBondContact NE2-OD1 2.83Å; Q92-N96 WeakPolarHBondContact O-CB 3.39Å; Q92-N96 PolarHBondContact O-N 3Å; Q92-N96 PolarHBondContact O-ND2 2.97Å; Q92-N96 PolarHBondContact O-OD1 2.88Å
93T82.9Confident73.8Confident65 Ų6573.2 Ų73.240%0.39939%0.39SS..Hα-helixtrans-61.8-45.1176.7-570000111E89 A90 L91E89-T93 WeakPolarHBondContact O-CB 3.34Å; E89-T93 PolarHBondContact O-N 3.34Å; E89-T93 PolarHBondContact O-OG1 3.45Å; A90-T93 PolarHBondContact O-N 3.21Å; L91-T93 VanDerWaalsContact C-N 3.33Å; L91-T93 PolarHBondContact O-N 2.9Å
94I85.8Confident72Confident2 Ų281 Ų811%0.0143%0.426CS..Hα-helixtrans-64.6-46.3177.3-62.1159.9000110.9I7 A66 L69 E70 V73 L83 A90 L91 N96 C97 R98I7-I94 HydrophobicContact CD1-CG2 4.27Å; A66-I94 HydrophobicContact CB-CG2 3.75Å; L69-I94 HydrophobicContact CB-CD1 3.64Å; L69-I94 HydrophobicContact CB-CG1 4.07Å; L69-I94 HydrophobicContact CD1-CG1 4.43Å; E70-I94 HydrophobicContact CG-CD1 4.41Å; E70-I94 HydrophobicContact CG-CG2 4.04Å; V73-I94 HydrophobicContact CG2-CD1 3.93Å; L83-I94 HydrophobicContact CD2-CD1 3.96Å; L83-I94 HydrophobicContact CD2-CG1 4Å; A90-I94 WeakPolarHBondContact O-CD1 3.34Å; A90-I94 VanDerWaalsContact O-CG1 3.31Å; A90-I94 WeakPolarHBondContact O-CG1 3.38Å; A90-I94 PolarHBondContact O-N 3.3Å; L91-I94 PolarHBondContact O-N 3.18Å; I94-N96 PolarHBondContact O-N 3.38Å; I94-C97 WeakPolarHBondContact O-CB 3.33Å; I94-C97 PolarHBondContact O-N 2.86Å; I94-R98 PolarHBondContact O-N 3.17Å
95N85.5Confident70.2Confident64 Ų6483.1 Ų83.134%0.34244%0.441SS..Hα-helixtrans-64.2-37.6179.9-82.7-46.5000112.9L91 Q92 C97 R98 A99L91-N95 VanDerWaalsContact O-CB 3.29Å; L91-N95 WeakPolarHBondContact O-CB 3.47Å; L91-N95 PolarHBondContact O-N 3.29Å; L91-N95 PolarHBondContact O-ND2 3.41Å; L91-N95 VanDerWaalsContact O-ND2 3.08Å; Q92-N95 PolarHBondContact O-N 3.24Å; N95-C97 PolarHBondContact O-N 3.04Å; N95-R98 PolarHBondContact O-N 3.49Å; N95-A99 WeakPolarHBondContact O-CB 3.36Å; N95-A99 PolarHBondContact O-N 2.97Å
96N81.1Confident68.3Low84 Ų8479.9 Ų79.945%0.44942%0.423SS..Hα-helixtrans-60.6-31.5177.2-72.9-16.4000112.1Q92 I94Q92-N96 PolarHBondContact NE2-OD1 2.83Å; Q92-N96 WeakPolarHBondContact O-CB 3.39Å; Q92-N96 PolarHBondContact O-N 3Å; Q92-N96 PolarHBondContact O-ND2 2.97Å; Q92-N96 PolarHBondContact O-OD1 2.88Å; I94-N96 PolarHBondContact O-N 3.38Å
97C73.9Confident66Low30 Ų3083 Ų8320%0.20344%0.436CS..Hα-helixtrans-79.5-30.7175.3-65.50000112.5I7 I94 N95I7-C97 HydrophobicContact CD1-CB 3.19Å; I7-C97 HydrophobicContact CG1-CB 3.59Å; I94-C97 WeakPolarHBondContact O-CB 3.33Å; I94-C97 PolarHBondContact O-N 2.86Å; N95-C97 PolarHBondContact O-N 3.04Å
98R73.3Confident63.6Low81 Ų8184.7 Ų84.731%0.30646%0.455SS..Hα-helixtrans-73.3-42.8174.8-166.7179.9-1661759112.9D63 E70 I94 N95 K100 G101D63-R98 IonicContact OD1-CZ 3.87Å; D63-R98 IonicContact OD1-NE 3.22Å; D63-R98 PolarHBondContact OD1-NE 3.18Å; D63-R98 IonicContact OD1-NH2 3.58Å; D63-R98 PolarHBondContact OD1-NH2 3.46Å; D63-R98 IonicContact OD2-NH2 2.88Å; E70-R98 IonicContact OE1-NH1 3.75Å; I94-R98 PolarHBondContact O-N 3.17Å; N95-R98 PolarHBondContact O-N 3.49Å; R98-K100 PolarHBondContact O-N 3.31Å; R98-G101 PolarHBondContact O-N 3.42Å
99A55.1Low61.3Low65 Ų6585.1 Ų85.154%0.53746%0.457SS..Hα-helixtrans-63.6-25.2-170.700000113.3N95 G101N95-A99 WeakPolarHBondContact O-CB 3.36Å; N95-A99 PolarHBondContact O-N 2.97Å; A99-G101 PolarHBondContact O-N 3.42Å
100K52.7Low59.2Low136 Ų13683.1 Ų83.159%0.59145%0.453SS*.THydrogen-bonded Turntrans-75.3-8.5176.3-67-173-178.8177.20114.2R98R98-K100 PolarHBondContact O-N 3.31Å
101G48.2Very low57.1Low35 Ų3588.9 Ų88.936%0.36148%0.484SS..THydrogen-bonded Turntrans-94.4-3.6176.400000115.3R98 A99R98-G101 PolarHBondContact O-N 3.42Å; A99-G101 PolarHBondContact O-N 3.42Å
102K44.7Very low54.8Low171 Ų17193.1 Ų93.174%0.74351%0.514SS*.SBendtrans-95.42.5-179.5-87178.21771750114.5
103S40.3Very low52.5Low76 Ų7691.4 Ų91.453%0.53151%0.509SS..SBendtrans-115.8124.7171.6-149.20000107.6
104E43.2Very low50.5Low175 Ų17592.2 Ų92.282%0.81852%0.516SS*.SBendtrans101.4-0.6154.7-50-179.6-166.100122.2
105S40.1Very low48.5Very low87 Ų8797 Ų9761%0.60855%0.545SS*.SBendtrans-149.845.9176.3-165.10000117.8C55C55-S105 WeakPolarHBondContact CB-O 3.36Å; C55-S105 PolarHBondContact SG-O 3.36Å
106C36.4Very low46.8Very low50 Ų50101.7 Ų101.734%0.33856%0.562SS.*SBendtrans-172.621.9151.1-132.10000113C35 C55C35-C106 WeakPolarHBondContact CA-SG 3.48Å; C35-C106 WeakPolarHBondContact CB-SG 3.42Å; C35-C106 WeakPolarHBondContact SG-CB 3.29Å; C35-C106 PolarHBondContact SG-O 3.35Å; C35-C106 VanDerWaalsContact SG-O 3.33Å; C35-C106 CovalentContact SG-SG 2.05Å; C35-C106 PolarHBondContact SG-SG 2.99Å; C55-C106 HydrophobicContact CB-CB 3.58Å
107V34.9Very low45.6Very low93 Ų93102.2 Ų102.256%0.56456%0.562SS**  trans-134.1127.2170-161.70000105.1Q109V107-Q109 HydrophobicContact CB-CB 4Å; V107-Q109 HydrophobicContact CB-CG 4.17Å; V107-Q109 HydrophobicContact CG1-CB 3.81Å; V107-Q109 HydrophobicContact CG1-CG 3.49Å; V107-Q109 VanDerWaalsContact CG1-CG 3.49Å; V107-Q109 PolarHBondContact O-N 3.48Å
108L35.2Very low44.8Very low174 Ų174103.4 Ų103.491%0.91157%0.57SS**  trans-61.164.4147-69.5167.6000107.4V110L108-V110 PolarHBondContact O-N 2.85Å
109Q35.7Very low44.3Very low147 Ų147105.5 Ų105.569%0.68758%0.584SS**  trans-95.977.5158.8-98.4168.2-31.200103.4V107 D111V107-Q109 HydrophobicContact CB-CB 4Å; V107-Q109 HydrophobicContact CB-CG 4.17Å; V107-Q109 HydrophobicContact CG1-CB 3.81Å; V107-Q109 HydrophobicContact CG1-CG 3.49Å; V107-Q109 VanDerWaalsContact CG1-CG 3.49Å; V107-Q109 PolarHBondContact O-N 3.48Å; Q109-D111 VanDerWaalsContact C-N 3.27Å; Q109-D111 PolarHBondContact O-N 3.12Å
110V39.6Very low45.3Very low80 Ų80106.3 Ų106.349%0.48558%0.576SS.*  trans-42.4105.9146.31770000104.5L108L108-V110 PolarHBondContact O-N 2.85Å
111D38.9Very low46.6Very low121 Ų121102 Ų10265%0.64756%0.559SS**  trans-40.2135.8151.9-77-57.2000105.9Q109 V113Q109-D111 VanDerWaalsContact C-N 3.27Å; Q109-D111 PolarHBondContact O-N 3.12Å; D111-V113 PolarHBondContact O-N 2.92Å
112P37.9Very low48.2Very low124 Ų124102.6 Ų102.681%0.80556%0.561SS**  trans-69.865.1177.229.9-32.6000109.6
113V38.2Very low50.3Low59 Ų5998.5 Ų98.536%0.35855%0.547SS..SBendtrans-54.5124.5139.1-175.70000104D111 V115 E117D111-V113 PolarHBondContact O-N 2.92Å; V113-V115 PolarHBondContact O-N 3.4Å; V113-E117 HydrophobicContact CG1-CB 3.94Å; V113-E117 HydrophobicContact CG1-CG 4.46Å; V113-E117 VanDerWaalsContact CG1-OE2 3.26Å; V113-E117 WeakPolarHBondContact CG1-OE2 3.1Å
114P39.2Very low52.7Low83 Ų8394.9 Ų94.954%0.53952%0.522SS..  trans-46.7118-175.518.2-31.3000108.8K116 E117P114-K116 WeakPolarHBondContact O-CA 3.31Å; P114-K116 PolarHBondContact O-N 3.14Å; P114-E117 PolarHBondContact O-N 2.85Å
115V44.7Very low55Low103 Ų10389 Ų8962%0.62450%0.495SS*.THydrogen-bonded Turntrans-45.3-14-165.8-169.50000115.1V113 H119V113-V115 PolarHBondContact O-N 3.4Å; V115-H119 PolarHBondContact O-ND1 2.96Å
116K49.2Very low57.4Low161 Ų16188.6 Ų88.670%0.749%0.491SS*.Hα-helixtrans-69.2-32.7174-62.9-175.3177.8-177.70113.6P114 Q120P114-K116 WeakPolarHBondContact O-CA 3.31Å; P114-K116 PolarHBondContact O-N 3.14Å; K116-Q120 WeakPolarHBondContact O-CB 3.49Å; K116-Q120 VanDerWaalsContact O-CD 3.26Å; K116-Q120 WeakPolarHBondContact O-CG 3.39Å; K116-Q120 PolarHBondContact O-N 2.95Å; K116-Q120 PolarHBondContact O-NE2 2.88Å
117E56Low60Low96 Ų9690.2 Ų90.245%0.44949%0.494SS..Hα-helixtrans-80-38.6-173-69-175.2172.500113.8V113 P114 H119 Q120 L121V113-E117 HydrophobicContact CG1-CB 3.94Å; V113-E117 HydrophobicContact CG1-CG 4.46Å; V113-E117 VanDerWaalsContact CG1-OE2 3.26Å; V113-E117 WeakPolarHBondContact CG1-OE2 3.1Å; P114-E117 PolarHBondContact O-N 2.85Å; E117-H119 PolarHBondContact O-N 3.21Å; E117-Q120 PolarHBondContact O-N 3.39Å; E117-L121 PolarHBondContact O-N 3.43Å
118S56.7Low62.6Low54 Ų5485.8 Ų85.838%0.37847%0.467SS..Hα-helixtrans-65.3-42.7-177.3-51.60000113Q120 L121 A122S118-Q120 VanDerWaalsContact C-N 3.33Å; S118-L121 PolarHBondContact O-N 3.48Å; S118-A122 PolarHBondContact O-N 3.45Å
119H64.6Low65.2Low126 Ų12682.3 Ų82.358%0.58345%0.446SS*.Hα-helixtrans-68.5-34.2175.6-69.198.2000111.8V115 E117 N123V115-H119 PolarHBondContact O-ND1 2.96Å; E117-H119 PolarHBondContact O-N 3.21Å; H119-N123 WeakPolarHBondContact O-CB 3.33Å; H119-N123 PolarHBondContact O-N 2.86Å; H119-N123 PolarHBondContact O-ND2 3.28Å
120Q74.9Confident67.7Low82 Ų8279 Ų7938%0.38344%0.439SS..Hα-helixtrans-66.1-40174.3-75.817452.400111.5K116 E117 S118 N123 A124 F182K116-Q120 WeakPolarHBondContact O-CB 3.49Å; K116-Q120 VanDerWaalsContact O-CD 3.26Å; K116-Q120 WeakPolarHBondContact O-CG 3.39Å; K116-Q120 PolarHBondContact O-N 2.95Å; K116-Q120 PolarHBondContact O-NE2 2.88Å; E117-Q120 PolarHBondContact O-N 3.39Å; S118-Q120 VanDerWaalsContact C-N 3.33Å; Q120-N123 CarbonylContact O-C 3.58Å; Q120-N123 PolarHBondContact O-N 3.32Å; Q120-A124 VanDerWaalsContact O-CA 3.31Å; Q120-A124 WeakPolarHBondContact O-CA 3.38Å; Q120-A124 VanDerWaalsContact O-CB 3.24Å; Q120-A124 WeakPolarHBondContact O-CB 3.43Å; Q120-A124 PolarHBondContact O-N 3.24Å; Q120-F182 HydrophobicContact CB-CD2 4.22Å; Q120-F182 HydrophobicContact CB-CE2 3.83Å
121L80.7Confident70Confident45 Ų4577.1 Ų77.124%0.23643%0.426CS..Hα-helixtrans-63.8-45.9178.7-144.583.7000111.8E117 S118 N123 A124 Q178 L179 F182E117-L121 PolarHBondContact O-N 3.43Å; S118-L121 PolarHBondContact O-N 3.48Å; L121-N123 VanDerWaalsContact C-N 3.31Å; L121-N123 PolarHBondContact O-N 3.25Å; L121-A124 WeakPolarHBondContact O-CB 3.33Å; L121-A124 PolarHBondContact O-N 3.39Å; L121-Q178 HydrophobicContact CG-CB 4.5Å; L121-Q178 WeakPolarHBondContact O-CB 3.34Å; L121-L179 HydrophobicContact CD1-CD1 3.97Å; L121-F182 HydrophobicContact CD1-CB 3.58Å; L121-F182 HydrophobicContact CD1-CD1 3.74Å; L121-F182 HydrophobicContact CD1-CD2 3.97Å; L121-F182 HydrophobicContact CD1-CE1 4.4Å; L121-F182 HydrophobicContact CD1-CG 3.49Å; L121-F182 VanDerWaalsContact CD1-CG 3.49Å; L121-F182 HydrophobicContact CG-CB 4.49Å
122A82.2Confident72.3Confident48 Ų4871.5 Ų71.540%0.39740%0.396SS..Hα-helixtrans-61.5-40.8-179.900000112.2S118 Q178S118-A122 PolarHBondContact O-N 3.45Å; A122-Q178 PolarHBondContact O-NE2 2.91Å
123N88.5Confident74.6Confident85 Ų8568.7 Ų68.746%0.45538%0.383SS..Hα-helixtrans-90.7-1.7-178.8-64.5-20.4000113.2H119 Q120 L121 Q125 S126 Q127H119-N123 WeakPolarHBondContact O-CB 3.33Å; H119-N123 PolarHBondContact O-N 2.86Å; H119-N123 PolarHBondContact O-ND2 3.28Å; Q120-N123 CarbonylContact O-C 3.58Å; Q120-N123 PolarHBondContact O-N 3.32Å; L121-N123 VanDerWaalsContact C-N 3.31Å; L121-N123 PolarHBondContact O-N 3.25Å; N123-Q125 VanDerWaalsContact C-N 3.31Å; N123-Q125 PolarHBondContact O-N 3.45Å; N123-S126 PolarHBondContact O-N 2.84Å; N123-Q127 HydrophobicContact CB-CG 4.44Å; N123-Q127 WeakPolarHBondContact O-CB 3.37Å; N123-Q127 WeakPolarHBondContact O-CG 3.45Å; N123-Q127 PolarHBondContact O-N 2.85Å
124A91.1Very high76.8Confident0 Ų074.1 Ų74.10%041%0.405CS..Hα-helixtrans-60.7-39.1-172.200000112.6Q120 L121 L128 A181 F182 L185Q120-A124 VanDerWaalsContact O-CA 3.31Å; Q120-A124 WeakPolarHBondContact O-CA 3.38Å; Q120-A124 VanDerWaalsContact O-CB 3.24Å; Q120-A124 WeakPolarHBondContact O-CB 3.43Å; Q120-A124 PolarHBondContact O-N 3.24Å; L121-A124 WeakPolarHBondContact O-CB 3.33Å; L121-A124 PolarHBondContact O-N 3.39Å; A124-L128 VanDerWaalsContact O-CB 3.26Å; A124-L128 WeakPolarHBondContact O-CB 3.33Å; A124-L128 PolarHBondContact O-N 3.34Å; A124-A181 HydrophobicContact CB-CB 3.98Å; A124-F182 HydrophobicContact CB-CB 3.84Å; A124-L185 HydrophobicContact CB-CD1 4.21Å
125Q90.7Very high78.8Confident52 Ų5274.6 Ų74.624%0.24340%0.398CS..Hα-helixtrans-63.2-47.8178.9-60.5-178.6-87.900111N123 L128 H129 Q178 A181N123-Q125 VanDerWaalsContact C-N 3.31Å; N123-Q125 PolarHBondContact O-N 3.45Å; Q125-L128 PolarHBondContact O-N 3.08Å; Q125-H129 WeakPolarHBondContact O-CB 3.49Å; Q125-H129 PolarHBondContact O-N 3.18Å; Q125-Q178 HydrophobicContact CG-CG 3.98Å; Q125-Q178 VanDerWaalsContact OE1-CG 3.24Å; Q125-A181 HydrophobicContact CB-CB 4.42Å; Q125-A181 HydrophobicContact CG-CB 3.96Å
126S90.9Very high80.2Confident77 Ų7773.3 Ų73.354%0.53841%0.406SS..Hα-helixtrans-65.8-44.7178.7-51.70000111.3N123 L128 H129 S130N123-S126 PolarHBondContact O-N 2.84Å; S126-L128 PolarHBondContact O-N 3.37Å; S126-H129 PolarHBondContact O-N 3.4Å; S126-S130 WeakPolarHBondContact O-CB 3.44Å; S126-S130 PolarHBondContact O-N 3.18Å; S126-S130 PolarHBondContact O-OG 3.5Å
127Q90.2Very high81.4Confident85 Ų8569.7 Ų69.740%0.39739%0.39SS..Hα-helixtrans-59.7-44.1176.5-74.217844.500112N123 L131 L185N123-Q127 HydrophobicContact CB-CG 4.44Å; N123-Q127 WeakPolarHBondContact O-CB 3.37Å; N123-Q127 WeakPolarHBondContact O-CG 3.45Å; N123-Q127 PolarHBondContact O-N 2.85Å; Q127-L131 WeakPolarHBondContact O-CB 3.3Å; Q127-L131 PolarHBondContact O-N 2.89Å; Q127-L185 HydrophobicContact CB-CD1 3.8Å
128L90Very high82.5Confident0 Ų073.1 Ų73.10%040%0.404CS..Hα-helixtrans-64.9-42.1176.8-172.867.9000111.3A124 Q125 S126 L131 F132 P140 V158 L160 A181 A184 L185 L188A124-L128 VanDerWaalsContact O-CB 3.26Å; A124-L128 WeakPolarHBondContact O-CB 3.33Å; A124-L128 PolarHBondContact O-N 3.34Å; Q125-L128 PolarHBondContact O-N 3.08Å; S126-L128 PolarHBondContact O-N 3.37Å; L128-L131 PolarHBondContact O-N 3.25Å; L128-F132 HydrophobicContact CD1-CD2 4.01Å; L128-F132 HydrophobicContact CD1-CE2 3.66Å; L128-F132 HydrophobicContact CG-CD2 4.38Å; L128-F132 HydrophobicContact CG-CE2 4.41Å; L128-F132 VanDerWaalsContact O-CD2 3.25Å; L128-F132 WeakPolarHBondContact O-CD2 3.27Å; L128-F132 PolarHBondContact O-N 3.19Å; L128-P140 HydrophobicContact CD2-CB 4.11Å; L128-P140 HydrophobicContact CD2-CG 4.1Å; L128-P140 HydrophobicContact CG-CB 4.46Å; L128-P140 HydrophobicContact CG-CG 3.9Å; L128-V158 HydrophobicContact CD2-CG2 4.1Å; L128-L160 HydrophobicContact CD1-CD2 4.39Å; L128-L160 HydrophobicContact CD2-CD2 4.28Å; L128-A181 HydrophobicContact CB-CB 4.45Å; L128-A181 HydrophobicContact CD2-CB 3.98Å; L128-A184 HydrophobicContact CD1-CB 4.21Å; L128-A184 HydrophobicContact CD2-CB 3.96Å; L128-L185 HydrophobicContact CB-CD1 4.37Å; L128-L185 HydrophobicContact CB-CD2 4.06Å; L128-L185 HydrophobicContact CB-CG 4.07Å; L128-L185 HydrophobicContact CD1-CD2 3.69Å; L128-L185 HydrophobicContact CD1-CG 3.96Å; L128-L185 HydrophobicContact CG-CD2 4.5Å; L128-L188 HydrophobicContact CD1-CD1 3.73Å
129H89.1Confident83.6Confident101 Ų10174.8 Ų74.847%0.46842%0.415SS..Hα-helixtrans-64-47.5177.4-168.675.1000111.9Q125 S126 L131 F132 A133Q125-H129 WeakPolarHBondContact O-CB 3.49Å; Q125-H129 PolarHBondContact O-N 3.18Å; S126-H129 PolarHBondContact O-N 3.4Å; H129-L131 PolarHBondContact O-N 2.89Å; H129-F132 PolarHBondContact O-N 3.47Å; H129-A133 WeakPolarHBondContact O-CB 3.4Å; H129-A133 PolarHBondContact O-N 3.29Å
130S89.1Confident84.6Confident76 Ų7669.5 Ų69.553%0.53139%0.391SS..Hα-helixtrans-61-40.7177.1-63.90000112.7S126 F132 A133 Q134S126-S130 WeakPolarHBondContact O-CB 3.44Å; S126-S130 PolarHBondContact O-N 3.18Å; S126-S130 PolarHBondContact O-OG 3.5Å; S130-F132 VanDerWaalsContact C-N 3.33Å; S130-F132 PolarHBondContact O-N 2.93Å; S130-A133 PolarHBondContact O-N 2.97Å; S130-Q134 WeakPolarHBondContact O-CB 3.35Å; S130-Q134 PolarHBondContact O-N 3.47Å
131L87Confident85.3Confident42 Ų4274.1 Ų74.122%0.2241%0.405CS..Hα-helixtrans-62.6-39.7177.8-175.2154.1000111.9Q127 L128 H129 K135 L185 L188Q127-L131 WeakPolarHBondContact O-CB 3.3Å; Q127-L131 PolarHBondContact O-N 2.89Å; L128-L131 PolarHBondContact O-N 3.25Å; H129-L131 PolarHBondContact O-N 2.89Å; L131-K135 HydrophobicContact CD2-CD 3.86Å; L131-K135 WeakPolarHBondContact O-CB 3.31Å; L131-K135 WeakPolarHBondContact O-CG 3.28Å; L131-K135 PolarHBondContact O-N 3.13Å; L131-L185 HydrophobicContact CD1-CD2 4.19Å; L131-L188 HydrophobicContact CD2-CD1 4.32Å
132F87.2Confident85.8Confident2 Ų275.1 Ų75.11%0.00941%0.406CS..Hα-helixtrans-75-37.7178.8-85.4-106.7000112.3L128 H129 S130 K135 G136 K137 K138 P140 L160 D161 L188L128-F132 HydrophobicContact CD1-CD2 4.01Å; L128-F132 HydrophobicContact CD1-CE2 3.66Å; L128-F132 HydrophobicContact CG-CD2 4.38Å; L128-F132 HydrophobicContact CG-CE2 4.41Å; L128-F132 VanDerWaalsContact O-CD2 3.25Å; L128-F132 WeakPolarHBondContact O-CD2 3.27Å; L128-F132 PolarHBondContact O-N 3.19Å; H129-F132 PolarHBondContact O-N 3.47Å; S130-F132 VanDerWaalsContact C-N 3.33Å; S130-F132 PolarHBondContact O-N 2.93Å; F132-K135 PolarHBondContact O-N 3.43Å; F132-G136 PolarHBondContact O-N 3.34Å; F132-K137 HydrophobicContact CB-CB 4.48Å; F132-K137 HydrophobicContact CD1-CB 3.68Å; F132-K137 HydrophobicContact CD1-CD 4.32Å; F132-K137 HydrophobicContact CE1-CB 4.31Å; F132-K137 HydrophobicContact CE1-CD 4.23Å; F132-K137 HydrophobicContact CG-CB 4.42Å; F132-K137 PolarHBondContact O-N 3.05Å; F132-K138 VanDerWaalsContact CD1-O 3.31Å; F132-K138 WeakPolarHBondContact CD1-O 3.38Å; F132-P140 HydrophobicContact CB-CG 4.26Å; F132-P140 HydrophobicContact CD1-CG 4.32Å; F132-P140 HydrophobicContact CD2-CG 4.03Å; F132-P140 HydrophobicContact CG-CG 3.92Å; F132-L160 HydrophobicContact CE1-CB 4.08Å; F132-L160 HydrophobicContact CE1-CD2 3.98Å; F132-L160 HydrophobicContact CE1-CG 4.45Å; F132-L160 HydrophobicContact CE2-CD1 4.13Å; F132-L160 HydrophobicContact CE2-CD2 3.9Å; F132-L160 HydrophobicContact CZ-CB 3.86Å; F132-L160 HydrophobicContact CZ-CD1 3.69Å; F132-L160 HydrophobicContact CZ-CD2 3.54Å; F132-L160 HydrophobicContact CZ-CG 3.87Å; F132-D161 WeakPolarHBondContact CE1-OD1 3.25Å; F132-L188 HydrophobicContact CE2-CD1 3.56Å; F132-L188 HydrophobicContact CZ-CD1 4.04Å; F132-L188 HydrophobicContact CZ-CD2 4.5Å
133A85.7Confident86.2Confident66 Ų6675.4 Ų75.455%0.54540%0.403SS..Hα-helixtrans-60.4-45.9173.400000111.3H129 S130 K135 G136H129-A133 WeakPolarHBondContact O-CB 3.4Å; H129-A133 PolarHBondContact O-N 3.29Å; S130-A133 PolarHBondContact O-N 2.97Å; A133-K135 VanDerWaalsContact C-N 3.35Å; A133-K135 PolarHBondContact O-N 2.96Å; A133-G136 PolarHBondContact O-N 3.13Å
134Q84.8Confident86.2Confident173 Ų17375 Ų7581%0.80840%0.401SS*.Hα-helixtrans-65.7-35.5178.8-169.5-1783000112.8S130 G136S130-Q134 WeakPolarHBondContact O-CB 3.35Å; S130-Q134 PolarHBondContact O-N 3.47Å; Q134-G136 PolarHBondContact O-N 3.44Å
135K82Confident85.8Confident93 Ų9377.2 Ų77.240%0.40442%0.415SS..THydrogen-bonded Turntrans-78.91.2178.6-70.8-174.9179.8-178.30113.7L131 F132 A133 K137L131-K135 HydrophobicContact CD2-CD 3.86Å; L131-K135 WeakPolarHBondContact O-CB 3.31Å; L131-K135 WeakPolarHBondContact O-CG 3.28Å; L131-K135 PolarHBondContact O-N 3.13Å; F132-K135 PolarHBondContact O-N 3.43Å; A133-K135 VanDerWaalsContact C-N 3.35Å; A133-K135 PolarHBondContact O-N 2.96Å; K135-K137 HydrophobicContact CB-CB 4.46Å; K135-K137 HydrophobicContact CB-CD 4.04Å; K135-K137 HydrophobicContact CB-CG 3.93Å; K135-K137 PolarHBondContact O-N 3.48Å
136G73.5Confident84.8Confident76 Ų7679 Ų7978%0.78443%0.432SS*.THydrogen-bonded Turntrans62.728-176.500000113.1F132 A133 Q134F132-G136 PolarHBondContact O-N 3.34Å; A133-G136 PolarHBondContact O-N 3.13Å; Q134-G136 PolarHBondContact O-N 3.44Å
137K75.5Confident83.6Confident84 Ų8482.5 Ų82.537%0.36545%0.445SS..PPolyproline II helixtrans-98.3161.4-173.9-76.8-171.2177.5-159.40111.7F132 K135 D161F132-K137 HydrophobicContact CB-CB 4.48Å; F132-K137 HydrophobicContact CD1-CB 3.68Å; F132-K137 HydrophobicContact CD1-CD 4.32Å; F132-K137 HydrophobicContact CE1-CB 4.31Å; F132-K137 HydrophobicContact CE1-CD 4.23Å; F132-K137 HydrophobicContact CG-CB 4.42Å; F132-K137 PolarHBondContact O-N 3.05Å; K135-K137 HydrophobicContact CB-CB 4.46Å; K135-K137 HydrophobicContact CB-CD 4.04Å; K135-K137 HydrophobicContact CB-CG 3.93Å; K135-K137 PolarHBondContact O-N 3.48Å; K137-D161 WeakPolarHBondContact CB-OD2 3.46Å; K137-D161 WeakPolarHBondContact CG-OD2 3.49Å
138K79.2Confident82.2Confident168 Ų16883 Ų8373%0.7346%0.458SS*.PPolyproline II helixtrans-64.6138.6176.8-70.8-176.5177-179.90110F132 D161F132-K138 VanDerWaalsContact CD1-O 3.31Å; F132-K138 WeakPolarHBondContact CD1-O 3.38Å; K138-D161 HydrophobicContact CB-CB 4.19Å; K138-D161 PolarHBondContact N-OD2 3.2Å
139C78.9Confident80.9Confident90 Ų9084.4 Ų84.461%0.60847%0.473SS*.PPolyproline II helixtrans-54.9137.5180-65.10000111.9R141C139-R141 PolarHBondContact O-N 3.27Å
140P85.4Confident79.8Confident14 Ų1482.5 Ų82.59%0.09147%0.474CS..PPolyproline II helixtrans-54.2128.3176-25.332.7000112.2L128 F132 Y142 V158 L160L128-P140 HydrophobicContact CD2-CB 4.11Å; L128-P140 HydrophobicContact CD2-CG 4.1Å; L128-P140 HydrophobicContact CG-CB 4.46Å; L128-P140 HydrophobicContact CG-CG 3.9Å; F132-P140 HydrophobicContact CB-CG 4.26Å; F132-P140 HydrophobicContact CD1-CG 4.32Å; F132-P140 HydrophobicContact CD2-CG 4.03Å; F132-P140 HydrophobicContact CG-CG 3.92Å; P140-Y142 HydrophobicContact CB-CE2 4.25Å; P140-V158 HydrophobicContact CB-CG2 3.92Å; P140-L160 HydrophobicContact CB-CD2 3.62Å; P140-L160 HydrophobicContact CG-CD2 3.87Å
141R90.3Very high79.1Confident180 Ų18085 Ų8568%0.67949%0.489SS*.EExtended strand (participates in β ladder)trans-94122.9177.3-174.7178.2-179.2-179.60.9110.2C139 V143 V158 V159C139-R141 PolarHBondContact O-N 3.27Å; R141-V143 HydrophobicContact CG-CG2 4.19Å; R141-V158 CarbonylContact O-C 3.58Å; R141-V158 WeakPolarHBondContact O-CA 3.27Å; R141-V159 PolarHBondContact N-O 2.92Å; R141-V159 PolarHBondContact O-N 3.41Å
142Y90.9Very high78.7Confident65 Ų6586.1 Ų86.126%0.25551%0.511SS..EExtended strand (participates in β ladder)trans-96.5131.1172-62.3-93.3000109.6P140 I156 V158 K177 A181P140-Y142 HydrophobicContact CB-CE2 4.25Å; Y142-I156 HydrophobicContact CD1-CG2 4.14Å; Y142-V158 HydrophobicContact CD1-CB 3.95Å; Y142-V158 HydrophobicContact CD1-CG2 4.12Å; Y142-V158 HydrophobicContact CE1-CB 3.93Å; Y142-V158 HydrophobicContact CE1-CG2 3.89Å; Y142-K177 HydrophobicContact CD1-CB 4.49Å; Y142-K177 HydrophobicContact CD1-CG 4.38Å; Y142-A181 HydrophobicContact CE1-CB 4.25Å; Y142-A181 WeakPolarHBondContact OH-CB 3.38Å
143V90.3Very high78.5Confident55 Ų5590.1 Ų90.133%0.33353%0.528SS..EExtended strand (participates in β ladder)trans-123.5118.5179.3-176.50000108.1R141 T145 K157R141-V143 HydrophobicContact CG-CG2 4.19Å; V143-T145 PolarHBondContact O-N 2.85Å; V143-K157 PolarHBondContact N-O 3.35Å; V143-K157 PolarHBondContact O-N 3.23Å
144D88.2Confident78.4Confident76 Ų7688.7 Ų88.741%0.40651%0.514SS..EExtended strand (participates in β ladder)trans-70.4121.9172.9-70.53.1000107.8I156 K173D144-I156 WeakPolarHBondContact OD1-CD1 3.37Å; D144-K173 IonicContact OD2-NZ 2.82Å
145T84.1Confident78.7Confident47 Ų4781 Ų8129%0.28848%0.478SS..  trans-114.274.8177.5-49.40000107.4V143 D147 T155V143-T145 PolarHBondContact O-N 2.85Å; T145-D147 PolarHBondContact O-N 3.02Å; T145-T155 CarbonylContact C-O 3.54Å; T145-T155 PolarHBondContact N-O 2.82Å; T145-T155 VanDerWaalsContact O-CB 3.32Å; T145-T155 WeakPolarHBondContact O-CB 3.31Å
146S69.6Low79.1Confident88 Ų8876.6 Ų76.662%0.61546%0.459SS*.G310 helixtrans-59.8-26.1-177.643.60000113.3S148S146-S148 PolarHBondContact O-N 3.29Å
147D64.9Low79.9Confident151 Ų15176.8 Ų76.881%0.80744%0.439SS*.G310 helixtrans-91.4-1.5-161.7-49.3-23.9000113.7T145T145-D147 PolarHBondContact O-N 3.02Å
148S61.2Low80.7Confident96 Ų9672.8 Ų72.867%0.67142%0.421SS*.G310 helixtrans-110.45.3-174-169.60000114.2S146S146-S148 PolarHBondContact O-N 3.29Å
149G61.6Low81.2Confident30 Ų3067.3 Ų67.331%0.30940%0.402SS..SBendtrans-111.9156.8-174.900000114.3
150A66.1Low81.6Confident60 Ų6063.3 Ų63.350%0.49637%0.374SS..  trans-59147.8167.100000110.7G152 F153A150-G152 PolarHBondContact O-N 2.76Å; A150-F153 HydrophobicContact CB-CD2 3.88Å; A150-F153 HydrophobicContact CB-CE2 4.34Å; A150-F153 PolarHBondContact O-N 3.25Å; A150-F153 VanDerWaalsContact O-N 3.08Å
151P74.5Confident81.5Confident130 Ų13066.2 Ų66.284%0.84439%0.389SS*.THydrogen-bonded Turntrans-55131178.721.4-31.8000110.7
152G79.6Confident80.9Confident65 Ų6560.3 Ų60.367%0.6737%0.371SS*.THydrogen-bonded Turntrans91.40.6-176.600000115.7A150A150-G152 PolarHBondContact O-N 2.76Å
153F82.3Confident80.5Confident86 Ų8660 Ų6038%0.37739%0.388SS..  trans-116.4134.1174.1-61.6-92.2000111.5A150 V169 A170 R171A150-F153 HydrophobicContact CB-CD2 3.88Å; A150-F153 HydrophobicContact CB-CE2 4.34Å; A150-F153 PolarHBondContact O-N 3.25Å; A150-F153 VanDerWaalsContact O-N 3.08Å; F153-V169 HydrophobicContact CB-CG1 3.86Å; F153-V169 HydrophobicContact CD1-CG1 4.46Å; F153-V169 HydrophobicContact CG-CG1 4.44Å; F153-A170 CarbonylContact C-O 3.53Å; F153-A170 WeakPolarHBondContact CA-O 3.45Å; F153-R171 HydrophobicContact CD1-CG 4.02Å; F153-R171 HydrophobicContact CE1-CG 3.78Å
154C84.2Confident80.3Confident36 Ų3658.1 Ų58.124%0.24338%0.376CS..EExtended strand (participates in β ladder)trans-88.2128.4169.9-55.70000109.7V169 A170 K173 A176C154-V169 WeakPolarHBondContact O-CA 3.3Å; C154-A170 PolarHBondContact N-O 3.34Å; C154-A170 PolarHBondContact O-N 3.3Å; C154-K173 HydrophobicContact CB-CG 4.27Å; C154-A176 HydrophobicContact CB-CB 4.16Å; C154-A176 WeakPolarHBondContact O-CB 3.42Å
155T90.1Very high80.4Confident10 Ų1057 Ų576%0.06137%0.372CS..EExtended strand (participates in β ladder)trans-108.1126173.4-58.60000109.5T145 V167 V169T145-T155 CarbonylContact C-O 3.54Å; T145-T155 PolarHBondContact N-O 2.82Å; T145-T155 VanDerWaalsContact O-CB 3.32Å; T145-T155 WeakPolarHBondContact O-CB 3.31Å; T155-V167 HydrophobicContact CG2-CG1 3.46Å; T155-V167 VanDerWaalsContact CG2-CG1 3.46Å; T155-V169 HydrophobicContact CG2-CG2 3.96Å
156I89.9Confident80.8Confident1 Ų154.8 Ų54.81%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-127.4129.9-178.8-63.6-175.9000109.4Y142 D144 V167 G168 K173 A176 K177 A180Y142-I156 HydrophobicContact CD1-CG2 4.14Å; D144-I156 WeakPolarHBondContact OD1-CD1 3.37Å; I156-V167 CarbonylContact O-C 3.55Å; I156-V167 WeakPolarHBondContact O-CA 3.29Å; I156-G168 PolarHBondContact N-O 3.08Å; I156-G168 PolarHBondContact O-N 3.05Å; I156-K173 HydrophobicContact CD1-CB 4.28Å; I156-K173 VanDerWaalsContact CD1-O 3.24Å; I156-K173 WeakPolarHBondContact CD1-O 3.34Å; I156-A176 HydrophobicContact CB-CB 4.13Å; I156-A176 HydrophobicContact CD1-CB 3.73Å; I156-A176 HydrophobicContact CG1-CB 3.78Å; I156-K177 HydrophobicContact CD1-CB 4.35Å; I156-K177 HydrophobicContact CD1-CD 4.32Å; I156-K177 HydrophobicContact CD1-CG 3.38Å; I156-K177 HydrophobicContact CG2-CG 4.05Å; I156-A180 HydrophobicContact CG2-CB 4.33Å; I156-A180 WeakPolarHBondContact O-CB 3.49Å
157K92Very high81.8Confident81 Ų8153.8 Ų53.835%0.35235%0.349SS..EExtended strand (participates in β ladder)trans-106.7125.1177.2-176.6174.8179.8178.20110V143 V159 A166 V167V143-K157 PolarHBondContact N-O 3.35Å; V143-K157 PolarHBondContact O-N 3.23Å; K157-V159 HydrophobicContact CD-CG2 4.46Å; K157-V159 HydrophobicContact CG-CG2 4.23Å; K157-A166 CarbonylContact C-O 3.56Å; K157-A166 WeakPolarHBondContact CA-O 3.33Å; K157-V167 HydrophobicContact CB-CG2 4.15Å; K157-V167 HydrophobicContact CD-CG2 4.38Å; K157-V167 HydrophobicContact CG-CG2 3.98Å
158V91Very high83Confident0 Ų046.7 Ų46.70%031%0.311CS..EExtended strand (participates in β ladder)trans-94.4131.9167.963.90000109.6L128 P140 R141 Y142 L160 T165 A166 A180 A184L128-V158 HydrophobicContact CD2-CG2 4.1Å; P140-V158 HydrophobicContact CB-CG2 3.92Å; R141-V158 CarbonylContact O-C 3.58Å; R141-V158 WeakPolarHBondContact O-CA 3.27Å; Y142-V158 HydrophobicContact CD1-CB 3.95Å; Y142-V158 HydrophobicContact CD1-CG2 4.12Å; Y142-V158 HydrophobicContact CE1-CB 3.93Å; Y142-V158 HydrophobicContact CE1-CG2 3.89Å; V158-L160 HydrophobicContact CG2-CD2 4Å; V158-T165 VanDerWaalsContact O-CA 3.27Å; V158-T165 WeakPolarHBondContact O-CA 3.46Å; V158-A166 HydrophobicContact CG1-CB 3.79Å; V158-A166 WeakPolarHBondContact CG1-O 3.34Å; V158-A166 PolarHBondContact N-O 3.25Å; V158-A166 PolarHBondContact O-N 3.47Å; V158-A180 HydrophobicContact CB-CB 4.38Å; V158-A180 HydrophobicContact CG1-CB 4.17Å; V158-A180 VanDerWaalsContact CG1-O 3.26Å; V158-A180 WeakPolarHBondContact CG1-O 3.47Å; V158-A184 HydrophobicContact CG1-CB 3.57Å
159V90.7Very high84.4Confident53 Ų5345.4 Ų45.432%0.32130%0.299SS..EExtended strand (participates in β ladder)trans-117.5118.8178.8-178.10000108.2R141 K157 T165R141-V159 PolarHBondContact N-O 2.92Å; R141-V159 PolarHBondContact O-N 3.41Å; K157-V159 HydrophobicContact CD-CG2 4.46Å; K157-V159 HydrophobicContact CG-CG2 4.23Å; V159-T165 HydrophobicContact CB-CG2 4.3Å; V159-T165 HydrophobicContact CG1-CG2 4.07Å; V159-T165 HydrophobicContact CG2-CG2 4.01Å
160L87.4Confident85.7Confident6 Ų644.5 Ų44.53%0.03129%0.289CS..  trans-100.1155.8178.6-55177000110.3L128 F132 P140 V158 N162 G163 V164 A184 L188L128-L160 HydrophobicContact CD1-CD2 4.39Å; L128-L160 HydrophobicContact CD2-CD2 4.28Å; F132-L160 HydrophobicContact CE1-CB 4.08Å; F132-L160 HydrophobicContact CE1-CD2 3.98Å; F132-L160 HydrophobicContact CE1-CG 4.45Å; F132-L160 HydrophobicContact CE2-CD1 4.13Å; F132-L160 HydrophobicContact CE2-CD2 3.9Å; F132-L160 HydrophobicContact CZ-CB 3.86Å; F132-L160 HydrophobicContact CZ-CD1 3.69Å; F132-L160 HydrophobicContact CZ-CD2 3.54Å; F132-L160 HydrophobicContact CZ-CG 3.87Å; P140-L160 HydrophobicContact CB-CD2 3.62Å; P140-L160 HydrophobicContact CG-CD2 3.87Å; V158-L160 HydrophobicContact CG2-CD2 4Å; L160-N162 VanDerWaalsContact C-N 3.26Å; L160-N162 WeakPolarHBondContact CB-OD1 3.23Å; L160-N162 PolarHBondContact O-N 2.83Å; L160-G163 PolarHBondContact O-N 2.91Å; L160-V164 HydrophobicContact CB-CB 4.35Å; L160-V164 VanDerWaalsContact CB-O 3.29Å; L160-V164 WeakPolarHBondContact CB-O 3.38Å; L160-V164 HydrophobicContact CD1-CB 3.94Å; L160-V164 HydrophobicContact CD1-CG1 4.04Å; L160-V164 PolarHBondContact N-O 2.93Å; L160-A184 HydrophobicContact CD1-CB 3.99Å; L160-L188 HydrophobicContact CD1-CD1 3.83Å; L160-L188 HydrophobicContact CD1-CD2 4.08Å; L160-L188 HydrophobicContact CD1-CG 4.05Å
161D82.3Confident86.7Confident75 Ų7551.2 Ų51.240%0.40130%0.301SS..THydrogen-bonded Turntrans-66.2-26.8-177.366.2-9000114F132 K137 K138 G163F132-D161 WeakPolarHBondContact CE1-OD1 3.25Å; K137-D161 WeakPolarHBondContact CB-OD2 3.46Å; K137-D161 WeakPolarHBondContact CG-OD2 3.49Å; K138-D161 HydrophobicContact CB-CB 4.19Å; K138-D161 PolarHBondContact N-OD2 3.2Å; D161-G163 PolarHBondContact O-N 3.35Å
162N78.6Confident87.4Confident55 Ų5547.8 Ų47.829%0.29428%0.281SS..THydrogen-bonded Turntrans-77.612.1175.867.5-13.6000113.8L160 V164 L188L160-N162 VanDerWaalsContact C-N 3.26Å; L160-N162 WeakPolarHBondContact CB-OD1 3.23Å; L160-N162 PolarHBondContact O-N 2.83Å; N162-V164 WeakPolarHBondContact ND2-CG2 3.3Å; N162-V164 PolarHBondContact O-N 3.41Å; N162-V164 VanDerWaalsContact OD1-CB 3.29Å; N162-V164 WeakPolarHBondContact OD1-CB 3.42Å; N162-V164 WeakPolarHBondContact OD1-CG2 3.32Å; N162-V164 PolarHBondContact OD1-N 3.4Å; N162-L188 WeakPolarHBondContact ND2-CD2 3.24Å
163G82.4Confident87.8Confident60 Ų6050.6 Ų50.662%0.61928%0.275SS*.SBendtrans78.1-4.3-178.400000114.3L160 D161 T165L160-G163 PolarHBondContact O-N 2.91Å; D161-G163 PolarHBondContact O-N 3.35Å; G163-T165 PolarHBondContact O-N 3Å
164V85.8Confident88.3Confident15 Ų1553.3 Ų53.39%0.09129%0.286CS..  trans-71.2125.8175.8179.50000108.8L160 N162 K187 M191L160-V164 HydrophobicContact CB-CB 4.35Å; L160-V164 VanDerWaalsContact CB-O 3.29Å; L160-V164 WeakPolarHBondContact CB-O 3.38Å; L160-V164 HydrophobicContact CD1-CB 3.94Å; L160-V164 HydrophobicContact CD1-CG1 4.04Å; L160-V164 PolarHBondContact N-O 2.93Å; N162-V164 WeakPolarHBondContact ND2-CG2 3.3Å; N162-V164 PolarHBondContact O-N 3.41Å; N162-V164 VanDerWaalsContact OD1-CB 3.29Å; N162-V164 WeakPolarHBondContact OD1-CB 3.42Å; N162-V164 WeakPolarHBondContact OD1-CG2 3.32Å; N162-V164 PolarHBondContact OD1-N 3.4Å; V164-K187 HydrophobicContact CG1-CB 3.75Å; V164-K187 HydrophobicContact CG1-CD 3.85Å; V164-K187 HydrophobicContact CG1-CG 4.47Å; V164-M191 HydrophobicContact CG2-CE 4.24Å; V164-M191 HydrophobicContact CG2-SD 3.31Å; V164-M191 WeakPolarHBondContact CG2-SD 3.46Å
165T90.5Very high88.5Confident51 Ų5153.7 Ų53.731%0.31329%0.289SS..EExtended strand (participates in β ladder)trans-121.4140.2172640000110.1V158 V159 G163 K187V158-T165 VanDerWaalsContact O-CA 3.27Å; V158-T165 WeakPolarHBondContact O-CA 3.46Å; V159-T165 HydrophobicContact CB-CG2 4.3Å; V159-T165 HydrophobicContact CG1-CG2 4.07Å; V159-T165 HydrophobicContact CG2-CG2 4.01Å; G163-T165 PolarHBondContact O-N 3Å; T165-K187 PolarHBondContact O-NZ 3.5Å
166A91.4Very high88.6Confident2 Ų253.2 Ų53.22%0.01729%0.286CS..EExtended strand (participates in β ladder)trans-135.3149176.200000109.8K157 V158 N183 A184 K187K157-A166 CarbonylContact C-O 3.56Å; K157-A166 WeakPolarHBondContact CA-O 3.33Å; V158-A166 HydrophobicContact CG1-CB 3.79Å; V158-A166 WeakPolarHBondContact CG1-O 3.34Å; V158-A166 PolarHBondContact N-O 3.25Å; V158-A166 PolarHBondContact O-N 3.47Å; A166-N183 HydrophobicContact CB-CB 3.78Å; A166-A184 HydrophobicContact CB-CB 3.89Å; A166-K187 HydrophobicContact CB-CD 4.44Å
167V91.3Very high88.7Confident67 Ų6756.7 Ų56.741%0.40630%0.301SS..EExtended strand (participates in β ladder)trans-120.3139.4-177.4-178.40000108.4T155 I156 K157 V169 N183T155-V167 HydrophobicContact CG2-CG1 3.46Å; T155-V167 VanDerWaalsContact CG2-CG1 3.46Å; I156-V167 CarbonylContact O-C 3.55Å; I156-V167 WeakPolarHBondContact O-CA 3.29Å; K157-V167 HydrophobicContact CB-CG2 4.15Å; K157-V167 HydrophobicContact CD-CG2 4.38Å; K157-V167 HydrophobicContact CG-CG2 3.98Å; V167-V169 HydrophobicContact CG1-CG2 4.38Å; V167-N183 PolarHBondContact O-ND2 3.43Å
168G90.7Very high88.8Confident1 Ų154.4 Ų54.41%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-123.4128.6171.700000110I156I156-G168 PolarHBondContact N-O 3.08Å; I156-G168 PolarHBondContact O-N 3.05Å
169V90.3Very high88.9Confident69 Ų6956.6 Ų56.642%0.41830%0.304SS..EExtended strand (participates in β ladder)trans-114.4124.8176.1-1750000108.4F153 C154 T155 V167 L179F153-V169 HydrophobicContact CB-CG1 3.86Å; F153-V169 HydrophobicContact CD1-CG1 4.46Å; F153-V169 HydrophobicContact CG-CG1 4.44Å; C154-V169 WeakPolarHBondContact O-CA 3.3Å; T155-V169 HydrophobicContact CG2-CG2 3.96Å; V167-V169 HydrophobicContact CG1-CG2 4.38Å; V169-L179 VanDerWaalsContact O-CD2 3.27Å; V169-L179 WeakPolarHBondContact O-CD2 3.08Å
170A89.3Confident89.1Confident12 Ų1254.1 Ų54.110%0.09929%0.288CS..EExtended strand (participates in β ladder)trans-151.5168.817700000111.5F153 C154 S172 S175 A176F153-A170 CarbonylContact C-O 3.53Å; F153-A170 WeakPolarHBondContact CA-O 3.45Å; C154-A170 PolarHBondContact N-O 3.34Å; C154-A170 PolarHBondContact O-N 3.3Å; A170-S172 PolarHBondContact O-N 3.02Å; A170-S175 WeakPolarHBondContact CB-OG 3.32Å; A170-A176 HydrophobicContact CB-CB 3.96Å
171R87.3Confident89.4Confident200 Ų20053.8 Ų53.876%0.75529%0.287SS*.SBendtrans-68-11.8178.3-63.1-175.9-177-137.97114.4F153F153-R171 HydrophobicContact CD1-CG 4.02Å; F153-R171 HydrophobicContact CE1-CG 3.78Å
172S89.4Confident89.9Confident59 Ų5952 Ų5241%0.41328%0.275SS..SBendtrans-139.3146-177.4161.60000110.4A170 K174 S175 A176A170-S172 PolarHBondContact O-N 3.02Å; S172-K174 PolarHBondContact O-N 3.17Å; S172-K174 PolarHBondContact OG-N 2.88Å; S172-S175 PolarHBondContact O-N 2.82Å; S172-A176 WeakPolarHBondContact O-CB 3.38Å; S172-A176 PolarHBondContact O-N 2.82Å
173K88Confident90.6Very high124 Ų12451.7 Ų51.754%0.53927%0.274SS..Hα-helixtrans-53.5-38.4174.4-64.8-170.7179.9-167.10112.3D144 C154 I156 A176 K177D144-K173 IonicContact OD2-NZ 2.82Å; C154-K173 HydrophobicContact CB-CG 4.27Å; I156-K173 HydrophobicContact CD1-CB 4.28Å; I156-K173 VanDerWaalsContact CD1-O 3.24Å; I156-K173 WeakPolarHBondContact CD1-O 3.34Å; K173-A176 PolarHBondContact O-N 3.06Å; K173-K177 WeakPolarHBondContact O-CG 3.36Å; K173-K177 PolarHBondContact O-N 3.06Å
174K91.1Very high91.1Very high142 Ų14248.9 Ų48.962%0.61725%0.245SC*.Hα-helixtrans-64.1-51-179.8-178.3174.1177.9176.10111.6S172 A176 K177 Q178S172-K174 PolarHBondContact O-N 3.17Å; S172-K174 PolarHBondContact OG-N 2.88Å; K174-A176 VanDerWaalsContact C-N 3.33Å; K174-A176 PolarHBondContact O-N 3.17Å; K174-K177 PolarHBondContact O-N 3.46Å; K174-Q178 WeakPolarHBondContact O-CG 3.27Å; K174-Q178 PolarHBondContact O-N 2.92Å; K174-Q178 VanDerWaalsContact O-N 3.08Å
175S89.7Confident91.3Very high45 Ų4549.5 Ų49.532%0.31525%0.247SC..Hα-helixtrans-66.7-35.9179-179.10000111.6A170 S172 K177 Q178 L179A170-S175 WeakPolarHBondContact CB-OG 3.32Å; S172-S175 PolarHBondContact O-N 2.82Å; S175-K177 PolarHBondContact O-N 3.5Å; S175-Q178 PolarHBondContact O-N 3.48Å; S175-L179 WeakPolarHBondContact O-CB 3.5Å; S175-L179 PolarHBondContact O-N 3.26Å
176A91.7Very high91.3Very high0 Ų052.8 Ų52.80%026%0.257CS..Hα-helixtrans-64.9-39176.100000111.8C154 I156 A170 S172 K173 K174 A180C154-A176 HydrophobicContact CB-CB 4.16Å; C154-A176 WeakPolarHBondContact O-CB 3.42Å; I156-A176 HydrophobicContact CB-CB 4.13Å; I156-A176 HydrophobicContact CD1-CB 3.73Å; I156-A176 HydrophobicContact CG1-CB 3.78Å; A170-A176 HydrophobicContact CB-CB 3.96Å; S172-A176 WeakPolarHBondContact O-CB 3.38Å; S172-A176 PolarHBondContact O-N 2.82Å; K173-A176 PolarHBondContact O-N 3.06Å; K174-A176 VanDerWaalsContact C-N 3.33Å; K174-A176 PolarHBondContact O-N 3.17Å; A176-A180 VanDerWaalsContact O-CB 3.27Å; A176-A180 WeakPolarHBondContact O-CB 3.24Å; A176-A180 PolarHBondContact O-N 3.23Å
177K92.6Very high91.2Very high73 Ų7357 Ų5732%0.31728%0.275SS..Hα-helixtrans-65.3-43.9173.3-71.2-178177.9177.70112.1Y142 I156 K173 K174 S175 A180 A181Y142-K177 HydrophobicContact CD1-CB 4.49Å; Y142-K177 HydrophobicContact CD1-CG 4.38Å; I156-K177 HydrophobicContact CD1-CB 4.35Å; I156-K177 HydrophobicContact CD1-CD 4.32Å; I156-K177 HydrophobicContact CD1-CG 3.38Å; I156-K177 HydrophobicContact CG2-CG 4.05Å; K173-K177 WeakPolarHBondContact O-CG 3.36Å; K173-K177 PolarHBondContact O-N 3.06Å; K174-K177 PolarHBondContact O-N 3.46Å; S175-K177 PolarHBondContact O-N 3.5Å; K177-A180 PolarHBondContact O-N 3.19Å; K177-A181 WeakPolarHBondContact O-CB 3.37Å; K177-A181 PolarHBondContact O-N 2.83Å
178Q94.1Very high91.1Very high33 Ų3354.5 Ų54.515%0.15426%0.26CS..Hα-helixtrans-59.7-46.9176.6-75175.9-24.800111.6L121 A122 Q125 K174 S175 A181 F182L121-Q178 HydrophobicContact CG-CB 4.5Å; L121-Q178 WeakPolarHBondContact O-CB 3.34Å; A122-Q178 PolarHBondContact O-NE2 2.91Å; Q125-Q178 HydrophobicContact CG-CG 3.98Å; Q125-Q178 VanDerWaalsContact OE1-CG 3.24Å; K174-Q178 WeakPolarHBondContact O-CG 3.27Å; K174-Q178 PolarHBondContact O-N 2.92Å; K174-Q178 VanDerWaalsContact O-N 3.08Å; S175-Q178 PolarHBondContact O-N 3.48Å; Q178-A181 PolarHBondContact O-N 2.83Å; Q178-F182 WeakPolarHBondContact O-CB 3.36Å; Q178-F182 PolarHBondContact O-N 3.25Å
179L93Very high90.8Very high47 Ų4758.8 Ų58.825%0.24628%0.282CS..Hα-helixtrans-65.9-40.3177.8-173.361.9000112.2L121 V169 S175 A181 F182 N183L121-L179 HydrophobicContact CD1-CD1 3.97Å; V169-L179 VanDerWaalsContact O-CD2 3.27Å; V169-L179 WeakPolarHBondContact O-CD2 3.08Å; S175-L179 WeakPolarHBondContact O-CB 3.5Å; S175-L179 PolarHBondContact O-N 3.26Å; L179-A181 VanDerWaalsContact C-N 3.34Å; L179-A181 PolarHBondContact O-N 2.97Å; L179-F182 PolarHBondContact O-N 2.99Å; L179-N183 WeakPolarHBondContact O-CB 3.18Å; L179-N183 VanDerWaalsContact O-CG 3.28Å; L179-N183 PolarHBondContact O-N 2.83Å; L179-N183 PolarHBondContact O-ND2 3.5Å
180A93.7Very high90.6Very high0 Ų060.2 Ų60.20%028%0.284CS..Hα-helixtrans-60.8-44.8174.700000111.2I156 V158 A176 K177 N183 A184I156-A180 HydrophobicContact CG2-CB 4.33Å; I156-A180 WeakPolarHBondContact O-CB 3.49Å; V158-A180 HydrophobicContact CB-CB 4.38Å; V158-A180 HydrophobicContact CG1-CB 4.17Å; V158-A180 VanDerWaalsContact CG1-O 3.26Å; V158-A180 WeakPolarHBondContact CG1-O 3.47Å; A176-A180 VanDerWaalsContact O-CB 3.27Å; A176-A180 WeakPolarHBondContact O-CB 3.24Å; A176-A180 PolarHBondContact O-N 3.23Å; K177-A180 PolarHBondContact O-N 3.19Å; A180-N183 PolarHBondContact O-N 2.85Å; A180-A184 PolarHBondContact O-N 3.34Å
181A93.9Very high90.1Very high0 Ų064.7 Ų64.70%031%0.305CS..Hα-helixtrans-64.7-41.7177.600000112.5A124 Q125 L128 Y142 K177 Q178 L179 A184 L185A124-A181 HydrophobicContact CB-CB 3.98Å; Q125-A181 HydrophobicContact CB-CB 4.42Å; Q125-A181 HydrophobicContact CG-CB 3.96Å; L128-A181 HydrophobicContact CB-CB 4.45Å; L128-A181 HydrophobicContact CD2-CB 3.98Å; Y142-A181 HydrophobicContact CE1-CB 4.25Å; Y142-A181 WeakPolarHBondContact OH-CB 3.38Å; K177-A181 WeakPolarHBondContact O-CB 3.37Å; K177-A181 PolarHBondContact O-N 2.83Å; Q178-A181 PolarHBondContact O-N 2.83Å; L179-A181 VanDerWaalsContact C-N 3.34Å; L179-A181 PolarHBondContact O-N 2.97Å; A181-A184 WeakPolarHBondContact O-CB 3.4Å; A181-A184 PolarHBondContact O-N 3.34Å; A181-L185 WeakPolarHBondContact O-CG 3.1Å; A181-L185 PolarHBondContact O-N 3.47Å
182F93.6Very high89.4Confident36 Ų3659.8 Ų59.816%0.15829%0.29CS..Hα-helixtrans-62.6-46.6177.2-179.4-100000111.6Q120 L121 A124 Q178 L179 A184 L185 K186Q120-F182 HydrophobicContact CB-CD2 4.22Å; Q120-F182 HydrophobicContact CB-CE2 3.83Å; L121-F182 HydrophobicContact CD1-CB 3.58Å; L121-F182 HydrophobicContact CD1-CD1 3.74Å; L121-F182 HydrophobicContact CD1-CD2 3.97Å; L121-F182 HydrophobicContact CD1-CE1 4.4Å; L121-F182 HydrophobicContact CD1-CG 3.49Å; L121-F182 VanDerWaalsContact CD1-CG 3.49Å; L121-F182 HydrophobicContact CG-CB 4.49Å; A124-F182 HydrophobicContact CB-CB 3.84Å; Q178-F182 WeakPolarHBondContact O-CB 3.36Å; Q178-F182 PolarHBondContact O-N 3.25Å; L179-F182 PolarHBondContact O-N 2.99Å; F182-A184 VanDerWaalsContact C-N 3.26Å; F182-A184 PolarHBondContact O-N 3.41Å; F182-L185 PolarHBondContact O-N 3Å; F182-K186 PolarHBondContact O-N 2.9Å
183N92.6Very high88Confident50 Ų5062.2 Ų62.227%0.26730%0.298SS..Hα-helixtrans-62.2-34.5176-71.8-20.3000111.9A166 V167 L179 A180 K187A166-N183 HydrophobicContact CB-CB 3.78Å; V167-N183 PolarHBondContact O-ND2 3.43Å; L179-N183 WeakPolarHBondContact O-CB 3.18Å; L179-N183 VanDerWaalsContact O-CG 3.28Å; L179-N183 PolarHBondContact O-N 2.83Å; L179-N183 PolarHBondContact O-ND2 3.5Å; A180-N183 PolarHBondContact O-N 2.85Å; N183-K187 WeakPolarHBondContact O-CG 3.39Å; N183-K187 PolarHBondContact O-N 2.84Å; N183-K187 VanDerWaalsContact O-N 3.12Å
184A92.4Very high86.6Confident0 Ų063.5 Ų63.50%031%0.311CS..Hα-helixtrans-67.9-44.6173.300000112.7L128 V158 L160 A166 A180 A181 F182 K186 K187 L188L128-A184 HydrophobicContact CD1-CB 4.21Å; L128-A184 HydrophobicContact CD2-CB 3.96Å; V158-A184 HydrophobicContact CG1-CB 3.57Å; L160-A184 HydrophobicContact CD1-CB 3.99Å; A166-A184 HydrophobicContact CB-CB 3.89Å; A180-A184 PolarHBondContact O-N 3.34Å; A181-A184 WeakPolarHBondContact O-CB 3.4Å; A181-A184 PolarHBondContact O-N 3.34Å; F182-A184 VanDerWaalsContact C-N 3.26Å; F182-A184 PolarHBondContact O-N 3.41Å; A184-K186 VanDerWaalsContact C-N 3.31Å; A184-K186 PolarHBondContact O-N 2.79Å; A184-K187 PolarHBondContact O-N 3.06Å; A184-L188 VanDerWaalsContact O-CG 3.27Å; A184-L188 WeakPolarHBondContact O-CG 3.27Å; A184-L188 PolarHBondContact O-N 3.19Å
185L90.8Very high84.6Confident29 Ų2962.2 Ų62.215%0.15232%0.319CS..Hα-helixtrans-59.1-43.1175.2-75172.3000111.8A124 Q127 L128 L131 A181 F182 L188 N189A124-L185 HydrophobicContact CB-CD1 4.21Å; Q127-L185 HydrophobicContact CB-CD1 3.8Å; L128-L185 HydrophobicContact CB-CD1 4.37Å; L128-L185 HydrophobicContact CB-CD2 4.06Å; L128-L185 HydrophobicContact CB-CG 4.07Å; L128-L185 HydrophobicContact CD1-CD2 3.69Å; L128-L185 HydrophobicContact CD1-CG 3.96Å; L128-L185 HydrophobicContact CG-CD2 4.5Å; L131-L185 HydrophobicContact CD1-CD2 4.19Å; A181-L185 WeakPolarHBondContact O-CG 3.1Å; A181-L185 PolarHBondContact O-N 3.47Å; F182-L185 PolarHBondContact O-N 3Å; L185-L188 PolarHBondContact O-N 2.71Å; L185-N189 PolarHBondContact O-N 3.18Å
186K90.9Very high82.3Confident120 Ų12064.4 Ų64.452%0.52233%0.334SS..Hα-helixtrans-59.3-49.4176.2-174.3176.8176.7179.10111.7F182 A184 L188 N189 E190F182-K186 PolarHBondContact O-N 2.9Å; A184-K186 VanDerWaalsContact C-N 3.31Å; A184-K186 PolarHBondContact O-N 2.79Å; K186-L188 VanDerWaalsContact C-N 3.29Å; K186-L188 PolarHBondContact O-N 3.01Å; K186-N189 PolarHBondContact O-N 3.13Å; K186-E190 VanDerWaalsContact CE-OE1 3.25Å; K186-E190 WeakPolarHBondContact CE-OE1 3.36Å; K186-E190 WeakPolarHBondContact O-CG 3.42Å; K186-E190 PolarHBondContact O-N 3.03Å
187K89.6Confident79.6Confident91 Ų9170.6 Ų70.640%0.39638%0.377SS..Hα-helixtrans-59.9-36.6176-74.4-173.2-178.9-169.20112.9V164 T165 A166 N183 A184 M191V164-K187 HydrophobicContact CG1-CB 3.75Å; V164-K187 HydrophobicContact CG1-CD 3.85Å; V164-K187 HydrophobicContact CG1-CG 4.47Å; T165-K187 PolarHBondContact O-NZ 3.5Å; A166-K187 HydrophobicContact CB-CD 4.44Å; N183-K187 WeakPolarHBondContact O-CG 3.39Å; N183-K187 PolarHBondContact O-N 2.84Å; N183-K187 VanDerWaalsContact O-N 3.12Å; A184-K187 PolarHBondContact O-N 3.06Å; K187-M191 WeakPolarHBondContact O-CG 3.38Å; K187-M191 PolarHBondContact O-N 2.68Å; K187-M191 VanDerWaalsContact O-N 3.16Å
188L87.5Confident77.1Confident14 Ų1471.7 Ų71.77%0.07339%0.394CS..Hα-helixtrans-68.5-37.4177.5-70.8168.9000112.7L128 L131 F132 L160 N162 A184 L185 K186 M191 Q192L128-L188 HydrophobicContact CD1-CD1 3.73Å; L131-L188 HydrophobicContact CD2-CD1 4.32Å; F132-L188 HydrophobicContact CE2-CD1 3.56Å; F132-L188 HydrophobicContact CZ-CD1 4.04Å; F132-L188 HydrophobicContact CZ-CD2 4.5Å; L160-L188 HydrophobicContact CD1-CD1 3.83Å; L160-L188 HydrophobicContact CD1-CD2 4.08Å; L160-L188 HydrophobicContact CD1-CG 4.05Å; N162-L188 WeakPolarHBondContact ND2-CD2 3.24Å; A184-L188 VanDerWaalsContact O-CG 3.27Å; A184-L188 WeakPolarHBondContact O-CG 3.27Å; A184-L188 PolarHBondContact O-N 3.19Å; L185-L188 PolarHBondContact O-N 2.71Å; K186-L188 VanDerWaalsContact C-N 3.29Å; K186-L188 PolarHBondContact O-N 3.01Å; L188-M191 PolarHBondContact O-N 2.88Å; L188-Q192 PolarHBondContact O-N 2.84Å
189N86.2Confident74.4Confident91 Ų9177.2 Ų77.249%0.48743%0.425SS..Hα-helixtrans-70.1-39.9177.3-168.234.1000111.4L185 K186 M191 Q192 N193L185-N189 PolarHBondContact O-N 3.18Å; K186-N189 PolarHBondContact O-N 3.13Å; N189-M191 VanDerWaalsContact C-N 3.31Å; N189-M191 PolarHBondContact O-N 2.87Å; N189-Q192 PolarHBondContact O-N 2.81Å; N189-Q192 VanDerWaalsContact O-N 3.14Å; N189-N193 PolarHBondContact O-N 3.39Å; N189-N193 PolarHBondContact O-ND2 2.84Å
190E85.6Confident72Confident98 Ų9880.1 Ų80.146%0.45844%0.444SS..Hα-helixtrans-56-46.3172.6-71.6166.8-175.800110.7K186 Q192 N193K186-E190 VanDerWaalsContact CE-OE1 3.25Å; K186-E190 WeakPolarHBondContact CE-OE1 3.36Å; K186-E190 WeakPolarHBondContact O-CG 3.42Å; K186-E190 PolarHBondContact O-N 3.03Å; E190-Q192 VanDerWaalsContact C-N 3.29Å; E190-Q192 PolarHBondContact O-N 3.42Å; E190-N193 PolarHBondContact O-N 2.82Å
191M79.5Confident69.4Low107 Ų10789.1 Ų89.153%0.52748%0.483SS..Hα-helixtrans-66-22.8177.6-68.4178.47900115V164 K187 L188 N189V164-M191 HydrophobicContact CG2-CE 4.24Å; V164-M191 HydrophobicContact CG2-SD 3.31Å; V164-M191 WeakPolarHBondContact CG2-SD 3.46Å; K187-M191 WeakPolarHBondContact O-CG 3.38Å; K187-M191 PolarHBondContact O-N 2.68Å; K187-M191 VanDerWaalsContact O-N 3.16Å; L188-M191 PolarHBondContact O-N 2.88Å; N189-M191 VanDerWaalsContact C-N 3.31Å; N189-M191 PolarHBondContact O-N 2.87Å
192Q71.5Confident66.3Low97 Ų9796.3 Ų96.345%0.45352%0.522SS..Hα-helixtrans-81.4-27.5177.1-72.7-173.4-59.900112.5L188 N189 E190 S196L188-Q192 PolarHBondContact O-N 2.84Å; N189-Q192 PolarHBondContact O-N 2.81Å; N189-Q192 VanDerWaalsContact O-N 3.14Å; E190-Q192 VanDerWaalsContact C-N 3.29Å; E190-Q192 PolarHBondContact O-N 3.42Å; Q192-S196 PolarHBondContact O-OG 2.97Å
193N60.6Low63.5Low109 Ų10999.7 Ų99.758%0.58356%0.557SS**Hα-helixtrans-75.4-25.7-179.9-74.1-38.7000112.9N189 E190 C195N189-N193 PolarHBondContact O-N 3.39Å; N189-N193 PolarHBondContact O-ND2 2.84Å; E190-N193 PolarHBondContact O-N 2.82Å; N193-C195 VanDerWaalsContact C-N 3.25Å; N193-C195 PolarHBondContact O-N 3.47Å
194D58.7Low60.5Low151 Ų151102.7 Ų102.781%0.80758%0.577SS**THydrogen-bonded Turntrans-76-6.2-179.6-67.7-30.5000114.4
195C47.6Very low57.5Low115 Ų115112.8 Ų112.878%0.77762%0.616SS**THydrogen-bonded Turntrans-113.46.2-176.1-156.10000114.9N193N193-C195 VanDerWaalsContact C-N 3.25Å; N193-C195 PolarHBondContact O-N 3.47Å
196S42.3Very low54.6Low92 Ų92117.5 Ų117.564%0.64365%0.647SS**  trans-126.459.3-168.8-48.70000113.3Q192 S198Q192-S196 PolarHBondContact O-OG 2.97Å; S196-S198 PolarHBondContact O-N 2.91Å
197S35.8Very low51.7Low129 Ų129118.7 Ų118.790%0.90266%0.657SS**  trans-90.579.5159.4-173.40000109.2
198S38.6Very low48.9Very low96 Ų96120.5 Ų120.567%0.67168%0.676SS**SBendtrans-178.4104152.655.30000109.3S196S196-S198 PolarHBondContact O-N 2.91Å
199D38.3Very low46.3Very low150 Ų150128 Ų12880%0.80271%0.711SS**  trans62.2109.2140.9-61.1-39.7000121.7
200V42Very low44Very low107 Ų107132.9 Ų132.965%0.64873%0.731SS**  92.5109.9120.1176.70000118.4
201K38.5Very low41.6Very low189 Ų189132.4 Ų132.482%0.82274%0.743SS**  trans93.297.6143.4-73.6164.6-166.2169.20120
202N30.3Very low39.5Very low151 Ų151133.6 Ų133.681%0.80775%0.752SS**  20125.4124.3-73.54000118.3
203A33.2Very low37.9Very low108 Ų108135.7 Ų135.789%0.89376%0.762SS**  trans-144.1111.3135.600000110.2
204T30.3Very low36.8Very low112 Ų112139 Ų13969%0.68777%0.773SS**  trans-68.2151.2179.8-61.40000112.5
205Y29.9Very low35.9Very low213 Ų213136.2 Ų136.284%0.83577%0.771SS**  trans-29137.2162.8-60.4-91.4000116.5
206T29.8Very low35.3Very low128 Ų128138 Ų13879%0.78577%0.773SS**  trans-140.2117149-29.10000109.3
207I29.1Very low35.2Very low145 Ų145140.5 Ų140.574%0.74478%0.777SS**  trans-83.9131.4162.9-64.2167.3000106
208T32.6Very low35.1Very low128 Ų128140.2 Ų140.279%0.78577%0.765SS**  trans-138108.2156.345.90000107.7
209E32.9Very low34.7Very low173 Ų173141.6 Ų141.681%0.80877%0.77SS**  trans-63.6141.6155.2-64.5172.5149.900108.1
210E36.2Very low34.5Very low193 Ų193138.7 Ų138.790%0.90277%0.766SS**  trans-178.5110.4138.3-99.3169.3-155.700111.2
211A35.2Very low34.2Very low88 Ų88141.2 Ų141.273%0.72777%0.771SS**  trans26.3157.5142.600000124.7
212N35.3Very low33.9Very low131 Ų131139 Ų13970%0.70177%0.768SS**  trans82.1141.2162.2-71.725.4000117.5
213E38.8Very low34.4Very low142 Ų142140.7 Ų140.766%0.66477%0.771SS**  cis-174.2148.5-18.2-120.8165.7179.500103.9
214E37.3Very low34.6Very low177 Ų177139.4 Ų139.483%0.82776%0.761SS**  trans70.2119.9148.9-61.1-173.8177.400121.9
215A40.3Very low34.9Very low93 Ų93139.3 Ų139.377%0.76976%0.763SS**  121.3104122.800000116.9
216N35.4Very low35.3Very low152 Ų152136 Ų13681%0.81376%0.76SS**  79.3117.1126.6-116.88.9000120.2
217M40.1Very low35.7Very low145 Ų145136.7 Ų136.771%0.71476%0.759SS**  129120.9104.6-159158.6120.400115.3
218D33.3Very low36.3Very low124 Ų124140 Ų14066%0.66377%0.768SS**  trans73102147.8-62.4-16.3000123.3
219T30.8Very low36.7Very low125 Ų125136.3 Ų136.377%0.76776%0.756SS**  0.7128122.18.20000119.3
220A34.4Very low36.8Very low88 Ų88135.8 Ų135.873%0.72776%0.759SS**  trans168107135.100000106.9
221E34.7Very low37Very low161 Ų161133.3 Ų133.375%0.75275%0.752SS**  70.2129.386.3-69.8-174.3-156.300114.6
222N32.8Very low37.3Very low141 Ų141137.2 Ų137.275%0.75476%0.759SS**  trans80.7137.3164.9-46.3-38.3000113.5
223E39.4Very low37.5Very low187 Ų187135.4 Ų135.487%0.87476%0.756SS**  cis-155.4161.527.9-62.7172164.200105.2
224A37.7Very low37.4Very low82 Ų82135.7 Ų135.768%0.67876%0.762SS**  cis178.81214800000105.6
225C36.9Very low37.5Very low109 Ų109138.5 Ų138.574%0.73677%0.765SS**  41.2133.8112.976.10000118.3
226D38.8Very low37.4Very low144 Ų144143.2 Ų143.277%0.7777%0.769SS**  trans154.993.8139.1-71.9-10000108.1
227D38.3Very low37.4Very low142 Ų142143.3 Ų143.376%0.75977%0.769SS**  81.810892.5-17039.1000112.7
228F40.5Very low37.6Very low214 Ų214142.9 Ų142.994%0.93977%0.769SS**  trans-153.692.8157.2-104.3-75.9000108.7
229G40.7Very low37.8Very low52 Ų52143.3 Ų143.354%0.53677%0.772SS.*  trans-76.6156159.500000112.8
230D36.4Very low38.4Very low162 Ų162144.6 Ų144.687%0.86677%0.774SS**  trans66.6138.7144.8-61.6-22000123.8
231D39.5Very low38.9Very low140 Ų140148 Ų14875%0.74978%0.778SS**  trans77.997.1145.3-92.5-23.7000120.3
232I42.1Very low39Very low170 Ų170146.1 Ų146.187%0.87278%0.78SS**  trans-136.877.5133.1-47.6177.4000109.2
233S38.6Very low39.1Very low93 Ų93147.9 Ų147.965%0.6579%0.786SS**  trans-71.7148.4144.7-90.20000109.6
234N36.6Very low39.1Very low148 Ų148147.9 Ų147.979%0.79179%0.785SS**  trans7892.9169-58.7-19.6000117.6
235R39.9Very low39.1Very low237 Ų237151.5 Ų151.589%0.89479%0.788SS**  -176.398.4122.8-110.3177.2168126.9-3.2110
236F37.9Very low39.1Very low191 Ų191153.4 Ų153.484%0.83879%0.786SS**  trans-168.381.6139.8-107-75.9000107.5L238F236-L238 HydrophobicContact CD1-CD1 4.07Å; F236-L238 HydrophobicContact CE1-CD1 4.02Å
237D36.5Very low39.2Very low154 Ų154152.4 Ų152.482%0.82478%0.781SS**  trans-77.7114155.6-88.4-42.9000107.1
238L44.9Very low38.9Very low136 Ų136152.3 Ų152.371%0.71278%0.78SS**  trans-143.873.8160.3-104.2156.3000106.9F236F236-L238 HydrophobicContact CD1-CD1 4.07Å; F236-L238 HydrophobicContact CE1-CD1 4.02Å
239N37.3Very low38.7Very low134 Ų134149.8 Ų149.872%0.71778%0.777SS**  trans-64.2148.4148.7-73.8-38.6000108
240D43Very low38.9Very low152 Ų152155.9 Ų155.981%0.81379%0.791SS**  trans91.572.2175.1-55.2-27.7000117.9
241I44Very low39.1Very low160 Ų160155.9 Ų155.982%0.82178%0.784SS**  trans-144121.4136.5-51.5-178.9000109.1
242P36.5Very low39.2Very low120 Ų120155.6 Ų155.678%0.77978%0.781SS**  trans-80.5154.8-176.34.712000113.4
243M34.9Very low39.3Very low179 Ų179155.1 Ų155.188%0.88277%0.773SS**  trans-41.6131.7166.8-60-177.6-62.100113.3
244E40.3Very low39.7Very low186 Ų186158.7 Ų158.787%0.86977%0.773SS**  trans-154.1117130.2-69-159.2162.400110.3
245H38.2Very low40.1Very low159 Ų159158.7 Ų158.774%0.73677%0.769SS**  trans40125.1145.9-84-98.2000123.6
246E37.3Very low40.6Very low149 Ų149152.6 Ų152.670%0.69675%0.75SS**  94.7127.1125.5-81.4170-164.200121.8
247D39Very low41.3Very low123 Ų123146.8 Ų146.866%0.65873%0.733SS**  trans89.296.8149.7-61.3-30.3000120.2
248N32.2Very low42.4Very low140 Ų140144.2 Ų144.275%0.74972%0.72SS**  50.189.9122.2-73.9-57.2000116
249D38Very low43.4Very low161 Ų161140.2 Ų140.286%0.86170%0.703SS**  trans-156.8147.7146.2-85.7-42.6000109.7
250E43.2Very low45.4Very low179 Ų179137 Ų13784%0.83669%0.686SS**  trans91.247.1177-50.6-168160.400118.8L252E250-L252 VanDerWaalsContact C-N 3.35Å; E250-L252 PolarHBondContact O-N 3.48Å
251K41.2Very low47.3Very low163 Ų163130.7 Ų130.771%0.70965%0.652SS**  trans-93.669.5153.3-132176.5-173.8-179.60110.2E255K251-E255 IonicContact NZ-OE1 2.68Å; K251-E255 PolarHBondContact NZ-OE1 3Å
252L41.6Very low49.3Very low134 Ų134124.7 Ų124.770%0.70262%0.621SS**  trans-74134.6161-86.6146.5000107E250E250-L252 VanDerWaalsContact C-N 3.35Å; E250-L252 PolarHBondContact O-N 3.48Å
253F43.4Very low51.7Low160 Ų160123.9 Ų123.970%0.70261%0.61SS**SBendtrans91.8129.3-176.4-49.3-72.6000115.2
254Y48.8Very low54.1Low167 Ų167120 Ų12066%0.65559%0.592SS**  trans-59.8135.4-168.2-81-104.5000111.9E256Y254-E256 PolarHBondContact O-N 3.26Å
255E44.5Very low56.4Low148 Ų148111.1 Ų111.169%0.69255%0.551SS**  trans-64.884.1153.1-75.3178.5167.100107.7K251K251-E255 IonicContact NZ-OE1 2.68Å; K251-E255 PolarHBondContact NZ-OE1 3Å
256E49.7Very low58.6Low109 Ų109104.6 Ų104.651%0.50952%0.523SS..  trans-60.7137.7149.2-78-178.3172.500106.9Y254 N258Y254-E256 PolarHBondContact O-N 3.26Å; E256-N258 PolarHBondContact O-N 3.23Å; E256-N258 VanDerWaalsContact O-N 3.17Å
257S52.7Low60.9Low69 Ų69100 Ų10048%0.48351%0.51SS..  trans-38.2125.4179.8-4.80000109S259 D260S257-S259 PolarHBondContact O-N 2.7Å; S257-D260 WeakPolarHBondContact CB-OD2 3.35Å; S257-D260 PolarHBondContact O-N 3.24Å; S257-D260 PolarHBondContact OG-OD2 2.05Å
258N60.7Low63.1Low101 Ų10195 Ų9554%0.5448%0.483SS..Hα-helixtrans-45-31.4-176.5-77.7-23.1000111.7E256 D260 W316E256-N258 PolarHBondContact O-N 3.23Å; E256-N258 VanDerWaalsContact O-N 3.17Å; N258-D260 PolarHBondContact O-N 2.86Å; N258-W316 HydrophobicContact CB-CB 4.36Å; N258-W316 HydrophobicContact CB-CG 4.21Å; N258-W316 WeakPolarHBondContact O-CZ3 3.27Å
259S66Low65.7Low52 Ų5288.4 Ų88.436%0.36445%0.448SS..Hα-helixtrans-62.9-21.5177.6650000118.1S257 N263 W316S257-S259 PolarHBondContact O-N 2.7Å; S259-N263 PolarHBondContact O-ND2 3.38Å; S259-N263 VanDerWaalsContact O-ND2 3.11Å; S259-W316 WeakPolarHBondContact O-CH2 3.31Å; S259-W316 WeakPolarHBondContact O-CZ3 3.26Å
260D79.3Confident67.9Low66 Ų6687.7 Ų87.735%0.35344%0.439SS..Hα-helixtrans-88-28.9-166.6-60.5-23.4000111.7S257 N258 L262 N263 L264S257-D260 WeakPolarHBondContact CB-OD2 3.35Å; S257-D260 PolarHBondContact O-N 3.24Å; S257-D260 PolarHBondContact OG-OD2 2.05Å; N258-D260 PolarHBondContact O-N 2.86Å; D260-L262 PolarHBondContact O-N 3.4Å; D260-N263 PolarHBondContact O-N 2.9Å; D260-L264 WeakPolarHBondContact O-CB 3.39Å; D260-L264 PolarHBondContact O-N 2.77Å
261H82.9Confident69.9Low19 Ų1985.1 Ų85.19%0.08843%0.427CS..Hα-helixtrans-63.2-43.5-180-63.597.4000113.1L264 L265 A319 H320 L323H261-L264 PolarHBondContact O-N 3.02Å; H261-L265 VanDerWaalsContact O-CB 3.27Å; H261-L265 WeakPolarHBondContact O-CB 3.46Å; H261-L265 PolarHBondContact O-N 2.87Å; H261-A319 HydrophobicContact CB-CB 4.33Å; H261-H320 AromaticContact CD2-CD2 3.7Å; H261-H320 AromaticContact NE2-CD2 3.4Å; H261-H320 PolarHBondContact NE2-CD2 3.22Å; H261-L323 HydrophobicContact CB-CD1 3.98Å; H261-L323 WeakPolarHBondContact O-CD1 3.5Å
262L85.7Confident71.8Confident34 Ų3482.3 Ų82.318%0.17842%0.415CS..Hα-helixtrans-68.8-39.9178.1-162.974.9000110.9D260 L264 L265 C266 F278 W316 A319D260-L262 PolarHBondContact O-N 3.4Å; L262-L264 VanDerWaalsContact C-N 3.32Å; L262-L264 PolarHBondContact O-N 2.61Å; L262-L265 PolarHBondContact O-N 2.79Å; L262-C266 VanDerWaalsContact O-CB 3.32Å; L262-C266 WeakPolarHBondContact O-CB 3.36Å; L262-C266 PolarHBondContact O-N 2.81Å; L262-C266 PolarHBondContact O-SG 2.79Å; L262-F278 HydrophobicContact CD1-CE1 4.18Å; L262-F278 HydrophobicContact CD1-CE2 3.79Å; L262-F278 HydrophobicContact CD1-CZ 3.3Å; L262-W316 HydrophobicContact CB-CD2 4.45Å; L262-W316 HydrophobicContact CB-CE3 3.35Å; L262-W316 HydrophobicContact CB-CH2 3.7Å; L262-W316 HydrophobicContact CB-CZ3 2.93Å; L262-W316 HydrophobicContact CD2-CE3 4.33Å; L262-W316 HydrophobicContact CD2-CH2 3.8Å; L262-W316 HydrophobicContact CD2-CZ2 4.32Å; L262-W316 HydrophobicContact CD2-CZ3 3.87Å; L262-W316 HydrophobicContact CG-CE3 4.38Å; L262-W316 HydrophobicContact CG-CH2 4.43Å; L262-W316 HydrophobicContact CG-CZ3 4.02Å; L262-A319 HydrophobicContact CD1-CB 4.05Å
263N85.5Confident73.8Confident103 Ų10379.1 Ų79.155%0.55142%0.415SS*.Hα-helixtrans-61.4-44.1176.9-72.3-31.1000110.8S259 D260 C266 A267S259-N263 PolarHBondContact O-ND2 3.38Å; S259-N263 VanDerWaalsContact O-ND2 3.11Å; D260-N263 PolarHBondContact O-N 2.9Å; N263-C266 PolarHBondContact O-N 3.43Å; N263-A267 WeakPolarHBondContact O-CB 3.38Å; N263-A267 PolarHBondContact O-N 2.75Å
264L86.6Confident75.8Confident98 Ų9874.6 Ų74.651%0.51339%0.393SS..Hα-helixtrans-65.1-43.9176.7-176.961.3000111.9D260 H261 L262 A267 M268 L323D260-L264 WeakPolarHBondContact O-CB 3.39Å; D260-L264 PolarHBondContact O-N 2.77Å; H261-L264 PolarHBondContact O-N 3.02Å; L262-L264 VanDerWaalsContact C-N 3.32Å; L262-L264 PolarHBondContact O-N 2.61Å; L264-A267 PolarHBondContact O-N 3.37Å; L264-M268 WeakPolarHBondContact O-CB 3.25Å; L264-M268 PolarHBondContact O-N 3.49Å; L264-L323 HydrophobicContact CB-CD1 4.2Å; L264-L323 HydrophobicContact CD2-CD1 3.96Å; L264-L323 HydrophobicContact CD2-CD2 4.13Å; L264-L323 HydrophobicContact CG-CD1 4.25Å; L264-L323 HydrophobicContact CG-CD2 4.08Å
265L87.3Confident77.5Confident0 Ų070.1 Ų70.10%039%0.391CS..Hα-helixtrans-60.6-47175.7-177.779000111.2H261 L262 M268 C269 F278 L296 L298 A319 A322 L323H261-L265 VanDerWaalsContact O-CB 3.27Å; H261-L265 WeakPolarHBondContact O-CB 3.46Å; H261-L265 PolarHBondContact O-N 2.87Å; L262-L265 PolarHBondContact O-N 2.79Å; L265-M268 HydrophobicContact CD1-CE 3.87Å; L265-M268 PolarHBondContact O-N 2.89Å; L265-C269 WeakPolarHBondContact O-CB 3.29Å; L265-C269 PolarHBondContact O-N 2.97Å; L265-C269 PolarHBondContact O-SG 3.31Å; L265-F278 HydrophobicContact CD2-CZ 4.21Å; L265-L296 HydrophobicContact CD1-CD2 4.29Å; L265-L296 HydrophobicContact CD2-CD1 4.1Å; L265-L296 HydrophobicContact CD2-CD2 3.37Å; L265-L296 HydrophobicContact CD2-CG 4.38Å; L265-L296 HydrophobicContact CG-CD2 4.46Å; L265-L298 HydrophobicContact CD1-CD1 4.36Å; L265-A319 HydrophobicContact CB-CB 4.33Å; L265-A319 HydrophobicContact CD2-CB 3.8Å; L265-A322 HydrophobicContact CD1-CB 4.03Å; L265-L323 HydrophobicContact CD1-CD2 4.4Å; L265-L323 HydrophobicContact CD1-CG 4.41Å
266C85.8Confident79.5Confident22 Ų2266.9 Ų66.915%0.14937%0.373CS..Hα-helixtrans-59.5-48.2177.4-720000110.9L262 N263 M268 C269 E270 Y276L262-C266 VanDerWaalsContact O-CB 3.32Å; L262-C266 WeakPolarHBondContact O-CB 3.36Å; L262-C266 PolarHBondContact O-N 2.81Å; L262-C266 PolarHBondContact O-SG 2.79Å; N263-C266 PolarHBondContact O-N 3.43Å; C266-M268 VanDerWaalsContact C-N 3.32Å; C266-M268 PolarHBondContact O-N 3.3Å; C266-C269 PolarHBondContact O-N 3.08Å; C266-E270 WeakPolarHBondContact O-CB 3.4Å; C266-E270 WeakPolarHBondContact O-CG 3.37Å; C266-E270 PolarHBondContact O-N 3.48Å; C266-Y276 PolarHBondContact SG-OH 3.31Å; C266-Y276 VanDerWaalsContact SG-OH 3.38Å
267A85.4Confident81.3Confident51 Ų5167 Ų6742%0.42138%0.377SS..Hα-helixtrans-60.2-40.8177.200000112.3N263 L264 E270 Q271N263-A267 WeakPolarHBondContact O-CB 3.38Å; N263-A267 PolarHBondContact O-N 2.75Å; L264-A267 PolarHBondContact O-N 3.37Å; A267-E270 PolarHBondContact O-N 3.12Å; A267-Q271 WeakPolarHBondContact O-CB 3.26Å; A267-Q271 PolarHBondContact O-N 2.95Å
268M85Confident83Confident19 Ų1966 Ų669%0.09436%0.364CS..Hα-helixtrans-65.7-42.6176-176.5-171.575.200111.7L264 L265 C266 Q271 K272 W274 L323 F326 T333L264-M268 WeakPolarHBondContact O-CB 3.25Å; L264-M268 PolarHBondContact O-N 3.49Å; L265-M268 HydrophobicContact CD1-CE 3.87Å; L265-M268 PolarHBondContact O-N 2.89Å; C266-M268 VanDerWaalsContact C-N 3.32Å; C266-M268 PolarHBondContact O-N 3.3Å; M268-Q271 PolarHBondContact O-N 3.18Å; M268-K272 WeakPolarHBondContact O-CB 3.26Å; M268-K272 VanDerWaalsContact O-CG 3.31Å; M268-K272 WeakPolarHBondContact O-CG 3.47Å; M268-K272 PolarHBondContact O-N 3.28Å; M268-W274 HydrophobicContact CE-CE3 4.43Å; M268-W274 HydrophobicContact CE-CZ3 4.08Å; M268-L323 HydrophobicContact SD-CD2 4.38Å; M268-F326 HydrophobicContact CE-CD2 3.36Å; M268-F326 HydrophobicContact CE-CE2 3.4Å; M268-F326 HydrophobicContact CE-CG 4.12Å; M268-F326 HydrophobicContact CE-CZ 4.19Å; M268-F326 HydrophobicContact SD-CD2 4.04Å; M268-F326 HydrophobicContact SD-CG 4.33Å; M268-T333 HydrophobicContact CG-CG2 4.39Å
269C85.5Confident84.3Confident1 Ų164.7 Ų64.71%0.00736%0.36CS..Hα-helixtrans-64.8-42.3176.9-66.10000111.4L265 C266 K272 G273 W274 Y276 L298L265-C269 WeakPolarHBondContact O-CB 3.29Å; L265-C269 PolarHBondContact O-N 2.97Å; L265-C269 PolarHBondContact O-SG 3.31Å; C266-C269 PolarHBondContact O-N 3.08Å; C269-K272 PolarHBondContact O-N 3.33Å; C269-G273 CarbonylContact O-C 3.59Å; C269-G273 WeakPolarHBondContact O-CA 3.29Å; C269-G273 PolarHBondContact O-N 2.85Å; C269-W274 HydrophobicContact CB-CB 4.24Å; C269-W274 PolarHBondContact O-N 3Å; C269-Y276 HydrophobicContact CB-CD1 3.57Å; C269-Y276 HydrophobicContact CB-CE1 4.05Å; C269-L298 WeakPolarHBondContact SG-CD2 3.24Å
270E85.3Confident85.1Confident146 Ų14667.4 Ų67.468%0.68237%0.367SS*.Hα-helixtrans-61.4-45.4174.8-74.7175.5-172.700111.8C266 A267 K272 G273C266-E270 WeakPolarHBondContact O-CB 3.4Å; C266-E270 WeakPolarHBondContact O-CG 3.37Å; C266-E270 PolarHBondContact O-N 3.48Å; A267-E270 PolarHBondContact O-N 3.12Å; E270-K272 VanDerWaalsContact C-N 3.31Å; E270-K272 PolarHBondContact O-N 3.36Å; E270-G273 PolarHBondContact O-N 3.18Å
271Q84.8Confident85.1Confident125 Ų12566.6 Ų66.658%0.58437%0.365SS*.Hα-helixtrans-63-37.6178.3-172.3-176.34.100112.3A267 M268A267-Q271 WeakPolarHBondContact O-CB 3.26Å; A267-Q271 PolarHBondContact O-N 2.95Å; M268-Q271 PolarHBondContact O-N 3.18Å
272K82Confident84.3Confident104 Ų10470.7 Ų70.745%0.45240%0.402SS..Hα-helixtrans-85.6-9.4179.6-65.8-70.7-175.5174.30113.6M268 C269 E270 W274M268-K272 WeakPolarHBondContact O-CB 3.26Å; M268-K272 VanDerWaalsContact O-CG 3.31Å; M268-K272 WeakPolarHBondContact O-CG 3.47Å; M268-K272 PolarHBondContact O-N 3.28Å; C269-K272 PolarHBondContact O-N 3.33Å; E270-K272 VanDerWaalsContact C-N 3.31Å; E270-K272 PolarHBondContact O-N 3.36Å; K272-W274 VanDerWaalsContact C-N 3.25Å; K272-W274 HydrophobicContact CB-CB 4.44Å; K272-W274 HydrophobicContact CB-CD2 3.69Å; K272-W274 HydrophobicContact CB-CE3 4.26Å; K272-W274 HydrophobicContact CB-CG 3.73Å; K272-W274 HydrophobicContact CB-CZ2 4.45Å; K272-W274 HydrophobicContact CG-CD2 4.28Å; K272-W274 HydrophobicContact CG-CE3 4.47Å; K272-W274 HydrophobicContact CG-CZ2 4.41Å; K272-W274 PolarHBondContact O-N 3.21Å
273G83.2Confident83.2Confident68 Ų6873.3 Ų73.370%0.70141%0.413SS*.THydrogen-bonded Turntrans65.928.4-171.700000113C269 E270C269-G273 CarbonylContact O-C 3.59Å; C269-G273 WeakPolarHBondContact O-CA 3.29Å; C269-G273 PolarHBondContact O-N 2.85Å; E270-G273 PolarHBondContact O-N 3.18Å
274W85.2Confident82.1Confident64 Ų6473 Ų7324%0.24242%0.417CS..  trans-85.3129.6-179.6-72.4-7.6000111.3M268 C269 K272 L298 P299 F326M268-W274 HydrophobicContact CE-CE3 4.43Å; M268-W274 HydrophobicContact CE-CZ3 4.08Å; C269-W274 HydrophobicContact CB-CB 4.24Å; C269-W274 PolarHBondContact O-N 3Å; K272-W274 VanDerWaalsContact C-N 3.25Å; K272-W274 HydrophobicContact CB-CB 4.44Å; K272-W274 HydrophobicContact CB-CD2 3.69Å; K272-W274 HydrophobicContact CB-CE3 4.26Å; K272-W274 HydrophobicContact CB-CG 3.73Å; K272-W274 HydrophobicContact CB-CZ2 4.45Å; K272-W274 HydrophobicContact CG-CD2 4.28Å; K272-W274 HydrophobicContact CG-CE3 4.47Å; K272-W274 HydrophobicContact CG-CZ2 4.41Å; K272-W274 PolarHBondContact O-N 3.21Å; W274-L298 HydrophobicContact CE3-CD2 4.5Å; W274-P299 HydrophobicContact CB-CG 3.65Å; W274-P299 HydrophobicContact CD2-CG 4.36Å; W274-P299 HydrophobicContact CG-CG 3.69Å; W274-F326 AromaticContact CH2-CE1 3.86Å; W274-F326 HydrophobicContact CH2-CE1 3.86Å; W274-F326 HydrophobicContact CH2-CZ 4.24Å; W274-F326 HydrophobicContact CZ3-CD1 4.43Å; W274-F326 AromaticContact CZ3-CE1 3.68Å; W274-F326 HydrophobicContact CZ3-CE1 3.68Å; W274-F326 HydrophobicContact CZ3-CE2 4.29Å; W274-F326 AromaticContact CZ3-CZ 3.6Å; W274-F326 HydrophobicContact CZ3-CZ 3.6Å
275A84.3Confident80.8Confident74 Ų7477.9 Ų77.961%0.61244%0.437SS*.  trans-77.5128.3167.600000109.1P299A275-P299 WeakPolarHBondContact O-CD 3.4Å
276Y86.9Confident79.5Confident80 Ų8085.7 Ų85.731%0.31448%0.479SS..  trans-119.7143.3174.164-87.7000109.6C266 C269 F278 C297C266-Y276 PolarHBondContact SG-OH 3.31Å; C266-Y276 VanDerWaalsContact SG-OH 3.38Å; C269-Y276 HydrophobicContact CB-CD1 3.57Å; C269-Y276 HydrophobicContact CB-CE1 4.05Å; Y276-F278 HydrophobicContact CD2-CD2 4.31Å; Y276-F278 AromaticContact CD2-CE2 3.83Å; Y276-F278 HydrophobicContact CD2-CE2 3.83Å; Y276-F278 HydrophobicContact CE2-CE2 4.05Å; Y276-C297 WeakPolarHBondContact CA-O 3.33Å
277N87.6Confident78.1Confident110 Ų11087 Ų8759%0.58849%0.491SS*.EExtended strand (participates in β ladder)trans-137.5136.1175.1-78-53.9000110.3C297N277-C297 PolarHBondContact N-O 3.23Å; N277-C297 PolarHBondContact O-N 3.2Å
278F88.8Confident76.9Confident50 Ų5094 Ų9422%0.21952%0.516CS..EExtended strand (participates in β ladder)trans-96.9122.1170.6-67.5-83.4000109.1L262 L265 Y276 V294 F295 L296 K315 A318L262-F278 HydrophobicContact CD1-CE1 4.18Å; L262-F278 HydrophobicContact CD1-CE2 3.79Å; L262-F278 HydrophobicContact CD1-CZ 3.3Å; L265-F278 HydrophobicContact CD2-CZ 4.21Å; Y276-F278 HydrophobicContact CD2-CD2 4.31Å; Y276-F278 AromaticContact CD2-CE2 3.83Å; Y276-F278 HydrophobicContact CD2-CE2 3.83Å; Y276-F278 HydrophobicContact CE2-CE2 4.05Å; F278-V294 HydrophobicContact CB-CG1 3.95Å; F278-V294 HydrophobicContact CD1-CG1 3.75Å; F278-V294 HydrophobicContact CG-CG1 4.32Å; F278-F295 CarbonylContact C-O 3.59Å; F278-F295 WeakPolarHBondContact CA-O 3.42Å; F278-L296 HydrophobicContact CD1-CB 4Å; F278-L296 HydrophobicContact CD1-CD1 4.18Å; F278-L296 HydrophobicContact CE1-CB 3.76Å; F278-L296 HydrophobicContact CE1-CD1 3.72Å; F278-L296 HydrophobicContact CE1-CD2 4.3Å; F278-L296 HydrophobicContact CE1-CG 4.13Å; F278-L296 HydrophobicContact CE2-CD1 4.16Å; F278-L296 HydrophobicContact CZ-CD1 3.69Å; F278-L296 HydrophobicContact CZ-CD2 4.48Å; F278-L296 HydrophobicContact CZ-CG 4.45Å; F278-K315 HydrophobicContact CB-CG 4.43Å; F278-K315 HydrophobicContact CD1-CB 4.24Å; F278-K315 HydrophobicContact CD1-CD 4.49Å; F278-K315 HydrophobicContact CD1-CG 3.74Å; F278-K315 HydrophobicContact CE1-CB 4.1Å; F278-K315 HydrophobicContact CE1-CG 4.11Å; F278-K315 HydrophobicContact CG-CD 4.32Å; F278-K315 HydrophobicContact CG-CG 4.04Å; F278-A318 HydrophobicContact CE1-CB 4.41Å
279T87.3Confident75.9Confident73 Ų7395.8 Ų95.845%0.44853%0.53SS..EExtended strand (participates in β ladder)trans-116.2124.4-180-50.20000109.6F295T279-F295 PolarHBondContact N-O 2.91Å; T279-F295 PolarHBondContact O-N 3.36Å
280E83.6Confident75.3Confident109 Ų109101.5 Ų101.551%0.50956%0.564SS.*  trans-86.8126.4170.7-73168.3-130.400108.4A282 V294 V311E280-A282 PolarHBondContact O-N 3.24Å; E280-V294 HydrophobicContact CG-CG2 3.91Å; E280-V311 HydrophobicContact CG-CG1 4.46Å; E280-V311 WeakPolarHBondContact OE1-CG1 3.44Å
281P78.5Confident75Confident48 Ų4898.2 Ų98.231%0.31255%0.552SS.*  trans-62.9137.7170.428-30.3000108.6Q283 M293 F295P281-Q283 PolarHBondContact O-N 3.03Å; P281-M293 WeakPolarHBondContact CD-O 3.49Å; P281-M293 HydrophobicContact CG-CB 4.18Å; P281-M293 HydrophobicContact CG-CG 4.33Å; P281-F295 HydrophobicContact CB-CE2 4.06Å; P281-F295 HydrophobicContact CG-CD2 4.32Å; P281-F295 HydrophobicContact CG-CE2 3.87Å
282A66.3Low74.9Confident105 Ų10596.7 Ų96.787%0.86854%0.543SS*.  trans-61.299.2174.600000109E280E280-A282 PolarHBondContact O-N 3.24Å
283Q61.6Low75.1Confident89 Ų8995.2 Ų95.242%0.41654%0.538SS..  trans-71.7138.6176.4-69.3-151.6-43.400109.4P281 E285 S289P281-Q283 PolarHBondContact O-N 3.03Å; Q283-E285 PolarHBondContact O-N 3.34Å; Q283-S289 PolarHBondContact NE2-OG 3.2Å
284P62.8Low75.3Confident97 Ų9792 Ų9263%0.6351%0.505SS*.  trans-61.3131.4173.626.1-32.1000108.8N286 A287P284-N286 PolarHBondContact O-N 3.48Å; P284-A287 HydrophobicContact CG-CB 4.07Å; P284-A287 PolarHBondContact O-N 2.96Å; P284-A287 VanDerWaalsContact O-N 3.13Å
285E60.4Low75.6Confident200 Ų20092.3 Ų92.394%0.93551%0.508SS*.THydrogen-bonded Turntrans-57.8-1.1-171.4-57.7-177.9173.500115.4Q283Q283-E285 PolarHBondContact O-N 3.34Å
286N58.3Low75.8Confident165 Ų16588.8 Ų88.888%0.88248%0.479SS*.THydrogen-bonded Turntrans-124.315.7-176.2-84.5-34.4000114.5P284P284-N286 PolarHBondContact O-N 3.48Å
287A58Low75.9Confident49 Ų4987 Ų8741%0.40548%0.478SS..  trans-102.9100.7173.700000110.8P284 S289P284-A287 HydrophobicContact CG-CB 4.07Å; P284-A287 PolarHBondContact O-N 2.96Å; P284-A287 VanDerWaalsContact O-N 3.13Å; A287-S289 PolarHBondContact O-N 2.95Å
288E60.4Low75.8Confident199 Ų19982.3 Ų82.393%0.9345%0.453SS*.  trans-70.253.9162.9-80.8-180150.700110.5V290E288-V290 PolarHBondContact O-N 3.02Å
289S62.2Low75.2Confident56 Ų5682 Ų8239%0.39246%0.456SS..  trans-72.2121.2168.957.20000108.3Q283 A287 D291Q283-S289 PolarHBondContact NE2-OG 3.2Å; A287-S289 PolarHBondContact O-N 2.95Å; S289-D291 PolarHBondContact O-N 2.92Å; S289-D291 VanDerWaalsContact O-N 3.1Å; S289-D291 PolarHBondContact OG-O 2.93Å
290V72.9Confident74.7Confident120 Ų12085.8 Ų85.873%0.72747%0.469SS*.SBendtrans-57-26.2-177.7178.10000112.3E288E288-V290 PolarHBondContact O-N 3.02Å
291D80.5Confident74.2Confident78 Ų7888.3 Ų88.342%0.41749%0.486SS..SBendtrans-111.9134.6-177.8-59.7-39.7000111.9S289 I307 G308S289-D291 PolarHBondContact O-N 2.92Å; S289-D291 VanDerWaalsContact O-N 3.1Å; S289-D291 PolarHBondContact OG-O 2.93Å; D291-I307 HydrophobicContact CB-CG2 3.66Å; D291-G308 CarbonylContact C-O 3.58Å
292K82.4Confident74.5Confident93 Ų9387.5 Ų87.540%0.40448%0.478SS..EExtended strand (participates in β ladder)trans-89.8146.2171.4-60.8-167.7-179.8-173.50110I307 G308 V311K292-I307 WeakPolarHBondContact O-CA 3.45Å; K292-G308 PolarHBondContact N-O 3.31Å; K292-G308 PolarHBondContact O-N 2.9Å; K292-V311 HydrophobicContact CD-CB 4.47Å; K292-V311 HydrophobicContact CD-CG2 3.43Å; K292-V311 VanDerWaalsContact CD-CG2 3.43Å
293M85.7Confident75.6Confident72 Ų7286.4 Ų86.436%0.35546%0.46SS..EExtended strand (participates in β ladder)trans-113.6140.2176.2-177.8176.9-93.800109.8P281 F295 G306 I307P281-M293 WeakPolarHBondContact CD-O 3.49Å; P281-M293 HydrophobicContact CG-CB 4.18Å; P281-M293 HydrophobicContact CG-CG 4.33Å; M293-F295 HydrophobicContact CG-CE2 4.1Å; M293-F295 HydrophobicContact CG-CZ 4.07Å; M293-F295 HydrophobicContact SD-CE1 4.19Å; M293-F295 HydrophobicContact SD-CE2 3.79Å; M293-F295 HydrophobicContact SD-CZ 3.39Å; M293-F295 WeakPolarHBondContact SD-CZ 3.39Å; M293-G306 CarbonylContact C-O 3.58Å; M293-G306 VanDerWaalsContact CA-O 3.26Å; M293-G306 WeakPolarHBondContact CA-O 3.15Å; M293-I307 HydrophobicContact CE-CD1 3.93Å; M293-I307 HydrophobicContact CE-CG1 3.95Å
294V87.9Confident77Confident0 Ų083 Ų830%044%0.444CS..EExtended strand (participates in β ladder)trans-134.8138.8175.1174.50000108.5F278 E280 G306 V311 A314 K315F278-V294 HydrophobicContact CB-CG1 3.95Å; F278-V294 HydrophobicContact CD1-CG1 3.75Å; F278-V294 HydrophobicContact CG-CG1 4.32Å; E280-V294 HydrophobicContact CG-CG2 3.91Å; V294-G306 PolarHBondContact N-O 3.26Å; V294-G306 WeakPolarHBondContact O-CA 3.41Å; V294-G306 PolarHBondContact O-N 3.24Å; V294-V311 HydrophobicContact CG2-CG1 4.08Å; V294-A314 HydrophobicContact CB-CB 3.88Å; V294-A314 HydrophobicContact CG2-CB 3.52Å; V294-K315 HydrophobicContact CB-CG 4.49Å; V294-K315 HydrophobicContact CG1-CG 3.9Å; V294-K315 HydrophobicContact CG2-CG 4.33Å
295F90.4Very high78.3Confident71 Ų7179.9 Ų79.931%0.31143%0.43SS..EExtended strand (participates in β ladder)trans-106124.1172-64.4-76.7000110.2F278 T279 P281 M293 V303 F304F278-F295 CarbonylContact C-O 3.59Å; F278-F295 WeakPolarHBondContact CA-O 3.42Å; T279-F295 PolarHBondContact N-O 2.91Å; T279-F295 PolarHBondContact O-N 3.36Å; P281-F295 HydrophobicContact CB-CE2 4.06Å; P281-F295 HydrophobicContact CG-CD2 4.32Å; P281-F295 HydrophobicContact CG-CE2 3.87Å; M293-F295 HydrophobicContact CG-CE2 4.1Å; M293-F295 HydrophobicContact CG-CZ 4.07Å; M293-F295 HydrophobicContact SD-CE1 4.19Å; M293-F295 HydrophobicContact SD-CE2 3.79Å; M293-F295 HydrophobicContact SD-CZ 3.39Å; M293-F295 WeakPolarHBondContact SD-CZ 3.39Å; F295-V303 HydrophobicContact CB-CG1 4.01Å; F295-V303 HydrophobicContact CD1-CG1 3.97Å; F295-V303 HydrophobicContact CG-CG1 4.36Å; F295-F304 CarbonylContact C-O 3.54Å; F295-F304 WeakPolarHBondContact CA-O 3.34Å
296L89.6Confident79.6Confident0 Ų070.4 Ų70.40%039%0.385CS..EExtended strand (participates in β ladder)trans-88.7116.1168.1167.661.7000108.8L265 F278 L298 V303 F304 A318 A322L265-L296 HydrophobicContact CD1-CD2 4.29Å; L265-L296 HydrophobicContact CD2-CD1 4.1Å; L265-L296 HydrophobicContact CD2-CD2 3.37Å; L265-L296 HydrophobicContact CD2-CG 4.38Å; L265-L296 HydrophobicContact CG-CD2 4.46Å; F278-L296 HydrophobicContact CD1-CB 4Å; F278-L296 HydrophobicContact CD1-CD1 4.18Å; F278-L296 HydrophobicContact CE1-CB 3.76Å; F278-L296 HydrophobicContact CE1-CD1 3.72Å; F278-L296 HydrophobicContact CE1-CD2 4.3Å; F278-L296 HydrophobicContact CE1-CG 4.13Å; F278-L296 HydrophobicContact CE2-CD1 4.16Å; F278-L296 HydrophobicContact CZ-CD1 3.69Å; F278-L296 HydrophobicContact CZ-CD2 4.48Å; F278-L296 HydrophobicContact CZ-CG 4.45Å; L296-L298 HydrophobicContact CD1-CG 4.24Å; L296-L298 HydrophobicContact CD2-CD1 4.02Å; L296-L298 HydrophobicContact CG-CD1 4.15Å; L296-L298 HydrophobicContact CG-CG 4.19Å; L296-V303 CarbonylContact O-C 3.54Å; L296-V303 WeakPolarHBondContact O-CA 3.31Å; L296-F304 HydrophobicContact CB-CB 4.3Å; L296-F304 HydrophobicContact CD2-CD2 4.4Å; L296-F304 PolarHBondContact N-O 3.38Å; L296-F304 PolarHBondContact O-N 3.4Å; L296-A318 HydrophobicContact CB-CB 3.86Å; L296-A322 HydrophobicContact CD2-CB 3.62Å
297C89.4Confident81Confident43 Ų4366.8 Ų66.829%0.29137%0.365SS..EExtended strand (participates in β ladder)trans-99.4124.4173.9-58.30000109.5Y276 N277Y276-C297 WeakPolarHBondContact CA-O 3.33Å; N277-C297 PolarHBondContact N-O 3.23Å; N277-C297 PolarHBondContact O-N 3.2Å
298L85.5Confident82.3Confident11 Ų1165 Ų656%0.05835%0.351CS..EExtended strand (participates in β ladder)trans-116.1165.1175.1-76.1161.5000109.6L265 C269 W274 L296 Q302 F304 A322 F326L265-L298 HydrophobicContact CD1-CD1 4.36Å; C269-L298 WeakPolarHBondContact SG-CD2 3.24Å; W274-L298 HydrophobicContact CE3-CD2 4.5Å; L296-L298 HydrophobicContact CD1-CG 4.24Å; L296-L298 HydrophobicContact CD2-CD1 4.02Å; L296-L298 HydrophobicContact CG-CD1 4.15Å; L296-L298 HydrophobicContact CG-CG 4.19Å; L298-Q302 HydrophobicContact CB-CB 4.24Å; L298-Q302 PolarHBondContact N-O 3.35Å; L298-F304 HydrophobicContact CD1-CD2 3.8Å; L298-F304 HydrophobicContact CD1-CE2 3.57Å; L298-A322 HydrophobicContact CD1-CB 4.11Å; L298-F326 HydrophobicContact CD1-CE2 3.66Å; L298-F326 HydrophobicContact CD1-CZ 3.79Å
299P76.1Confident83.5Confident45 Ų4563.5 Ų63.529%0.29234%0.342SS..THydrogen-bonded Turntrans-59.2161.5177.8-23.236.6000112.2W274 A275W274-P299 HydrophobicContact CB-CG 3.65Å; W274-P299 HydrophobicContact CD2-CG 4.36Å; W274-P299 HydrophobicContact CG-CG 3.69Å; A275-P299 WeakPolarHBondContact O-CD 3.4Å
300E75.9Confident84.7Confident152 Ų15263.7 Ų63.771%0.7134%0.339SS*.THydrogen-bonded Turntrans68.132.9-175.6-51.8178.9170.600114.8Q302E300-Q302 HydrophobicContact CB-CG 4.43Å; E300-Q302 PolarHBondContact O-N 3.48Å; E300-Q302 VanDerWaalsContact O-N 3.12Å
301D74.1Confident85.3Confident162 Ų16259.2 Ų59.287%0.86631%0.311SS*.THydrogen-bonded Turntrans57.824.6179.3-59.7-39.3000113.8V303D301-V303 PolarHBondContact O-N 3.25Å
302Q84Confident85.6Confident30 Ų3061.7 Ų61.714%0.1432%0.32CS..EExtended strand (participates in β ladder)trans-81.8117.9176.7-61.6-173.118.800110.2L298 E300 F304 F326L298-Q302 HydrophobicContact CB-CB 4.24Å; L298-Q302 PolarHBondContact N-O 3.35Å; E300-Q302 HydrophobicContact CB-CG 4.43Å; E300-Q302 PolarHBondContact O-N 3.48Å; E300-Q302 VanDerWaalsContact O-N 3.12Å; Q302-F304 HydrophobicContact CB-CE2 3.81Å; Q302-F304 HydrophobicContact CB-CZ 4.12Å; Q302-F326 VanDerWaalsContact OE1-CE1 3.28Å
303V89.1Confident85.8Confident82 Ų8259 Ų5950%0.49731%0.313SS..EExtended strand (participates in β ladder)trans-123.3127.9180-176.20000109.9F295 L296 D301F295-V303 HydrophobicContact CB-CG1 4.01Å; F295-V303 HydrophobicContact CD1-CG1 3.97Å; F295-V303 HydrophobicContact CG-CG1 4.36Å; L296-V303 CarbonylContact O-C 3.54Å; L296-V303 WeakPolarHBondContact O-CA 3.31Å; D301-V303 PolarHBondContact O-N 3.25Å
304F91.2Very high85.9Confident17 Ų1755.6 Ų55.68%0.07530%0.296CS..EExtended strand (participates in β ladder)trans-118.9124.9-179.9-56.9-81.2000110.5F295 L296 L298 Q302 V321 A322 Y325 F326F295-F304 CarbonylContact C-O 3.54Å; F295-F304 WeakPolarHBondContact CA-O 3.34Å; L296-F304 HydrophobicContact CB-CB 4.3Å; L296-F304 HydrophobicContact CD2-CD2 4.4Å; L296-F304 PolarHBondContact N-O 3.38Å; L296-F304 PolarHBondContact O-N 3.4Å; L298-F304 HydrophobicContact CD1-CD2 3.8Å; L298-F304 HydrophobicContact CD1-CE2 3.57Å; Q302-F304 HydrophobicContact CB-CE2 3.81Å; Q302-F304 HydrophobicContact CB-CZ 4.12Å; F304-V321 HydrophobicContact CD1-CG1 4.07Å; F304-A322 HydrophobicContact CB-CB 4.18Å; F304-A322 HydrophobicContact CD1-CB 4.13Å; F304-A322 HydrophobicContact CD2-CB 3.54Å; F304-A322 HydrophobicContact CE1-CB 4.44Å; F304-A322 HydrophobicContact CE2-CB 3.89Å; F304-A322 HydrophobicContact CG-CB 3.65Å; F304-A322 HydrophobicContact CZ-CB 4.32Å; F304-Y325 AromaticContact CE1-CD1 3.72Å; F304-Y325 HydrophobicContact CE1-CD1 3.72Å; F304-Y325 HydrophobicContact CE1-CD2 4.1Å; F304-Y325 HydrophobicContact CE1-CE1 4.4Å; F304-Y325 AromaticContact CE1-CG 3.53Å; F304-Y325 HydrophobicContact CE1-CG 3.53Å; F304-Y325 AromaticContact CZ-CD1 3.42Å; F304-Y325 HydrophobicContact CZ-CD1 3.42Å; F304-Y325 VanDerWaalsContact CZ-CD1 3.42Å; F304-Y325 AromaticContact CZ-CE1 3.92Å; F304-Y325 HydrophobicContact CZ-CE1 3.92Å; F304-Y325 AromaticContact CZ-CG 3.78Å; F304-Y325 HydrophobicContact CZ-CG 3.78Å; F304-F326 HydrophobicContact CE2-CZ 4.39Å
305G89.6Confident86Confident33 Ų3358.6 Ų58.634%0.3431%0.309SS..EExtended strand (participates in β ladder)trans-86.2137.4178.600000112.2
306G89Confident85.9Confident0 Ų057.7 Ų57.70%030%0.304CS..EExtended strand (participates in β ladder)trans-123.5135175.700000111M293 V294 A314M293-G306 CarbonylContact C-O 3.58Å; M293-G306 VanDerWaalsContact CA-O 3.26Å; M293-G306 WeakPolarHBondContact CA-O 3.15Å; V294-G306 PolarHBondContact N-O 3.26Å; V294-G306 WeakPolarHBondContact O-CA 3.41Å; V294-G306 PolarHBondContact O-N 3.24Å; G306-A314 VanDerWaalsContact CA-O 3.28Å; G306-A314 WeakPolarHBondContact CA-O 3.16Å
307I87Confident85.9Confident89 Ų8961.9 Ų61.946%0.45632%0.324SS..EExtended strand (participates in β ladder)trans-123.7136.5175.3-55.6174.1000108.1D291 K292 M293D291-I307 HydrophobicContact CB-CG2 3.66Å; K292-I307 WeakPolarHBondContact O-CA 3.45Å; M293-I307 HydrophobicContact CE-CD1 3.93Å; M293-I307 HydrophobicContact CE-CG1 3.95Å
308G86Confident86Confident11 Ų1159.9 Ų59.911%0.11331%0.31CS..EExtended strand (participates in β ladder)trans-166163.2177.200000113.1D291 K292 D310D291-G308 CarbonylContact C-O 3.58Å; K292-G308 PolarHBondContact N-O 3.31Å; K292-G308 PolarHBondContact O-N 2.9Å; G308-D310 PolarHBondContact O-N 3.16Å; G308-D310 VanDerWaalsContact O-N 3.14Å
309K85.1Confident86.3Confident168 Ų16859.3 Ų59.373%0.7331%0.307SS*.SBendtrans-60.9-24.4-179.6-61.6-179.1-179.1-179.90113.3
310D86.4Confident86.9Confident61 Ų6160.1 Ų60.133%0.32631%0.307SS..SBendtrans-138.4167.5178.564.3-88.8000109.8G308 E312 S313 A314G308-D310 PolarHBondContact O-N 3.16Å; G308-D310 VanDerWaalsContact O-N 3.14Å; D310-E312 VanDerWaalsContact C-N 3.26Å; D310-E312 PolarHBondContact O-N 3.47Å; D310-E312 WeakPolarHBondContact OD2-CA 3.12Å; D310-E312 VanDerWaalsContact OD2-CB 3.29Å; D310-E312 WeakPolarHBondContact OD2-CB 3.48Å; D310-E312 PolarHBondContact OD2-N 3.19Å; D310-S313 VanDerWaalsContact CG-OG 3.32Å; D310-S313 PolarHBondContact O-N 3.42Å; D310-S313 VanDerWaalsContact OD1-CB 3.25Å; D310-S313 WeakPolarHBondContact OD1-CB 3.27Å; D310-S313 PolarHBondContact OD1-OG 3.02Å; D310-S313 PolarHBondContact OD2-N 3.02Å; D310-S313 PolarHBondContact OD2-OG 2.92Å; D310-A314 PolarHBondContact O-N 2.86Å
311V85.6Confident87.6Confident25 Ų2555.3 Ų55.315%0.15229%0.287CS..Hα-helixtrans-63.5-35.2-176.1175.80000111E280 K292 V294 A314 K315E280-V311 HydrophobicContact CG-CG1 4.46Å; E280-V311 WeakPolarHBondContact OE1-CG1 3.44Å; K292-V311 HydrophobicContact CD-CB 4.47Å; K292-V311 HydrophobicContact CD-CG2 3.43Å; K292-V311 VanDerWaalsContact CD-CG2 3.43Å; V294-V311 HydrophobicContact CG2-CG1 4.08Å; V311-A314 PolarHBondContact O-N 2.91Å; V311-K315 HydrophobicContact CG1-CD 4.34Å; V311-K315 WeakPolarHBondContact O-CG 3.49Å; V311-K315 PolarHBondContact O-N 3.34Å
312E86.7Confident88.3Confident130 Ų13047.6 Ų47.661%0.60725%0.246SC*.Hα-helixtrans-70.4-48.1-179.5-58.5-179.1171.200109.7D310 A314 K315 W316D310-E312 VanDerWaalsContact C-N 3.26Å; D310-E312 PolarHBondContact O-N 3.47Å; D310-E312 WeakPolarHBondContact OD2-CA 3.12Å; D310-E312 VanDerWaalsContact OD2-CB 3.29Å; D310-E312 WeakPolarHBondContact OD2-CB 3.48Å; D310-E312 PolarHBondContact OD2-N 3.19Å; E312-A314 VanDerWaalsContact C-N 3.26Å; E312-A314 PolarHBondContact O-N 3.48Å; E312-K315 CarbonylContact O-C 3.51Å; E312-K315 WeakPolarHBondContact O-CA 3.22Å; E312-K315 WeakPolarHBondContact O-CB 3.37Å; E312-K315 PolarHBondContact O-N 3.34Å; E312-W316 VanDerWaalsContact O-CG 3.25Å; E312-W316 PolarHBondContact O-N 3.23Å; E312-W316 PolarHBondContact O-NE1 3.45Å
313S86.8Confident88.5Confident37 Ų3747.4 Ų47.426%0.25925%0.246SC..Hα-helixtrans-51.9-43.2171.4-69.60000112.6D310 W316 H317D310-S313 VanDerWaalsContact CG-OG 3.32Å; D310-S313 PolarHBondContact O-N 3.42Å; D310-S313 VanDerWaalsContact OD1-CB 3.25Å; D310-S313 WeakPolarHBondContact OD1-CB 3.27Å; D310-S313 PolarHBondContact OD1-OG 3.02Å; D310-S313 PolarHBondContact OD2-N 3.02Å; D310-S313 PolarHBondContact OD2-OG 2.92Å; S313-W316 PolarHBondContact O-N 2.98Å; S313-H317 PolarHBondContact O-N 3.44Å
314A88Confident88.3Confident0 Ų046.6 Ų46.60%024%0.238CC..Hα-helixtrans-64.7-41.5174.900000112.1V294 G306 D310 V311 E312 H317 A318V294-A314 HydrophobicContact CB-CB 3.88Å; V294-A314 HydrophobicContact CG2-CB 3.52Å; G306-A314 VanDerWaalsContact CA-O 3.28Å; G306-A314 WeakPolarHBondContact CA-O 3.16Å; D310-A314 PolarHBondContact O-N 2.86Å; V311-A314 PolarHBondContact O-N 2.91Å; E312-A314 VanDerWaalsContact C-N 3.26Å; E312-A314 PolarHBondContact O-N 3.48Å; A314-H317 PolarHBondContact O-N 2.84Å; A314-A318 PolarHBondContact O-N 3.49Å
315K89.8Confident88.2Confident63 Ų6350.3 Ų50.327%0.27425%0.252SS..Hα-helixtrans-61.9-44173.9-73172.4179.4175.40112.3F278 V294 V311 E312 H317 A318 A319F278-K315 HydrophobicContact CB-CG 4.43Å; F278-K315 HydrophobicContact CD1-CB 4.24Å; F278-K315 HydrophobicContact CD1-CD 4.49Å; F278-K315 HydrophobicContact CD1-CG 3.74Å; F278-K315 HydrophobicContact CE1-CB 4.1Å; F278-K315 HydrophobicContact CE1-CG 4.11Å; F278-K315 HydrophobicContact CG-CD 4.32Å; F278-K315 HydrophobicContact CG-CG 4.04Å; V294-K315 HydrophobicContact CB-CG 4.49Å; V294-K315 HydrophobicContact CG1-CG 3.9Å; V294-K315 HydrophobicContact CG2-CG 4.33Å; V311-K315 HydrophobicContact CG1-CD 4.34Å; V311-K315 WeakPolarHBondContact O-CG 3.49Å; V311-K315 PolarHBondContact O-N 3.34Å; E312-K315 CarbonylContact O-C 3.51Å; E312-K315 WeakPolarHBondContact O-CA 3.22Å; E312-K315 WeakPolarHBondContact O-CB 3.37Å; E312-K315 PolarHBondContact O-N 3.34Å; K315-H317 VanDerWaalsContact C-N 3.3Å; K315-H317 PolarHBondContact O-N 3.48Å; K315-A318 PolarHBondContact O-N 2.98Å; K315-A319 WeakPolarHBondContact O-CB 3.25Å; K315-A319 PolarHBondContact O-N 3.22Å
316W89.6Confident87.9Confident52 Ų5249.1 Ų49.120%0.19724%0.237CC..Hα-helixtrans-58.6-44.7176-61.5124.6000110.8N258 S259 L262 E312 S313 A319 H320N258-W316 HydrophobicContact CB-CB 4.36Å; N258-W316 HydrophobicContact CB-CG 4.21Å; N258-W316 WeakPolarHBondContact O-CZ3 3.27Å; S259-W316 WeakPolarHBondContact O-CH2 3.31Å; S259-W316 WeakPolarHBondContact O-CZ3 3.26Å; L262-W316 HydrophobicContact CB-CD2 4.45Å; L262-W316 HydrophobicContact CB-CE3 3.35Å; L262-W316 HydrophobicContact CB-CH2 3.7Å; L262-W316 HydrophobicContact CB-CZ3 2.93Å; L262-W316 HydrophobicContact CD2-CE3 4.33Å; L262-W316 HydrophobicContact CD2-CH2 3.8Å; L262-W316 HydrophobicContact CD2-CZ2 4.32Å; L262-W316 HydrophobicContact CD2-CZ3 3.87Å; L262-W316 HydrophobicContact CG-CE3 4.38Å; L262-W316 HydrophobicContact CG-CH2 4.43Å; L262-W316 HydrophobicContact CG-CZ3 4.02Å; E312-W316 VanDerWaalsContact O-CG 3.25Å; E312-W316 PolarHBondContact O-N 3.23Å; E312-W316 PolarHBondContact O-NE1 3.45Å; S313-W316 PolarHBondContact O-N 2.98Å; W316-A319 PolarHBondContact O-N 2.64Å; W316-H320 PolarHBondContact O-N 3.24Å
317H89.7Confident87.4Confident89 Ų8956 Ų5641%0.41227%0.269SS..Hα-helixtrans-63.4-47.1177.1-162.770.9000112S313 A314 K315 A319 H320 V321S313-H317 PolarHBondContact O-N 3.44Å; A314-H317 PolarHBondContact O-N 2.84Å; K315-H317 VanDerWaalsContact C-N 3.3Å; K315-H317 PolarHBondContact O-N 3.48Å; H317-A319 VanDerWaalsContact C-N 3.3Å; H317-A319 PolarHBondContact O-N 3.22Å; H317-H320 PolarHBondContact O-N 3.23Å; H317-V321 VanDerWaalsContact O-CG2 3.24Å; H317-V321 WeakPolarHBondContact O-CG2 3.36Å; H317-V321 PolarHBondContact O-N 3.21Å
318A91.3Very high87.1Confident0 Ų058.7 Ų58.70%028%0.284CS..Hα-helixtrans-58.6-42176.900000111.9F278 L296 A314 K315 V321 A322F278-A318 HydrophobicContact CE1-CB 4.41Å; L296-A318 HydrophobicContact CB-CB 3.86Å; A314-A318 PolarHBondContact O-N 3.49Å; K315-A318 PolarHBondContact O-N 2.98Å; A318-V321 PolarHBondContact O-N 3.3Å; A318-A322 WeakPolarHBondContact O-CB 3.44Å; A318-A322 PolarHBondContact O-N 3.28Å
319A91Very high86.7Confident0 Ų062.6 Ų62.60%030%0.301CS..Hα-helixtrans-65-42.2177.200000112.4H261 L262 L265 K315 W316 H317 A322 L323H261-A319 HydrophobicContact CB-CB 4.33Å; L262-A319 HydrophobicContact CD1-CB 4.05Å; L265-A319 HydrophobicContact CB-CB 4.33Å; L265-A319 HydrophobicContact CD2-CB 3.8Å; K315-A319 WeakPolarHBondContact O-CB 3.25Å; K315-A319 PolarHBondContact O-N 3.22Å; W316-A319 PolarHBondContact O-N 2.64Å; H317-A319 VanDerWaalsContact C-N 3.3Å; H317-A319 PolarHBondContact O-N 3.22Å; A319-A322 PolarHBondContact O-N 3.37Å; A319-L323 WeakPolarHBondContact O-CG 3.31Å; A319-L323 PolarHBondContact O-N 3.46Å
320H89.7Confident85.7Confident61 Ų6157 Ų5728%0.28229%0.291SS..Hα-helixtrans-60.9-45.8174.6172.4-103.6000111.8H261 W316 H317 A322 L323 M324H261-H320 AromaticContact CD2-CD2 3.7Å; H261-H320 AromaticContact NE2-CD2 3.4Å; H261-H320 PolarHBondContact NE2-CD2 3.22Å; W316-H320 PolarHBondContact O-N 3.24Å; H317-H320 PolarHBondContact O-N 3.23Å; H320-A322 VanDerWaalsContact C-N 3.33Å; H320-A322 PolarHBondContact O-N 3.44Å; H320-L323 PolarHBondContact O-N 2.91Å; H320-M324 WeakPolarHBondContact O-CB 3.46Å; H320-M324 VanDerWaalsContact O-CG 3.22Å; H320-M324 WeakPolarHBondContact O-CG 3.44Å; H320-M324 PolarHBondContact O-N 2.87Å
321V89.6Confident84.3Confident51 Ų5157 Ų5731%0.30930%0.296SS..Hα-helixtrans-60.7-42.6176.8-179.30000111.2F304 H317 A318 M324 Y325F304-V321 HydrophobicContact CD1-CG1 4.07Å; H317-V321 VanDerWaalsContact O-CG2 3.24Å; H317-V321 WeakPolarHBondContact O-CG2 3.36Å; H317-V321 PolarHBondContact O-N 3.21Å; A318-V321 PolarHBondContact O-N 3.3Å; V321-M324 PolarHBondContact O-N 3.29Å; V321-Y325 PolarHBondContact O-N 3.39Å
322A89.5Confident82.5Confident0 Ų063.6 Ų63.60%032%0.324CS..Hα-helixtrans-62.8-47.2176.700000112.3L265 L296 L298 F304 A318 A319 H320 M324 Y325 F326L265-A322 HydrophobicContact CD1-CB 4.03Å; L296-A322 HydrophobicContact CD2-CB 3.62Å; L298-A322 HydrophobicContact CD1-CB 4.11Å; F304-A322 HydrophobicContact CB-CB 4.18Å; F304-A322 HydrophobicContact CD1-CB 4.13Å; F304-A322 HydrophobicContact CD2-CB 3.54Å; F304-A322 HydrophobicContact CE1-CB 4.44Å; F304-A322 HydrophobicContact CE2-CB 3.89Å; F304-A322 HydrophobicContact CG-CB 3.65Å; F304-A322 HydrophobicContact CZ-CB 4.32Å; A318-A322 WeakPolarHBondContact O-CB 3.44Å; A318-A322 PolarHBondContact O-N 3.28Å; A319-A322 PolarHBondContact O-N 3.37Å; H320-A322 VanDerWaalsContact C-N 3.33Å; H320-A322 PolarHBondContact O-N 3.44Å; A322-M324 VanDerWaalsContact C-N 3.32Å; A322-M324 PolarHBondContact O-N 3.14Å; A322-Y325 WeakPolarHBondContact O-CB 3.32Å; A322-Y325 PolarHBondContact O-N 2.95Å; A322-F326 HydrophobicContact CB-CE2 4.22Å; A322-F326 WeakPolarHBondContact O-CD2 3.32Å; A322-F326 PolarHBondContact O-N 3.32Å
323L88.1Confident80.5Confident26 Ų2660.6 Ų60.614%0.13632%0.315CS..Hα-helixtrans-62.4-39.5177.9-73.1170.2000112.2H261 L264 L265 M268 A319 H320 Y325 F326 H327H261-L323 HydrophobicContact CB-CD1 3.98Å; H261-L323 WeakPolarHBondContact O-CD1 3.5Å; L264-L323 HydrophobicContact CB-CD1 4.2Å; L264-L323 HydrophobicContact CD2-CD1 3.96Å; L264-L323 HydrophobicContact CD2-CD2 4.13Å; L264-L323 HydrophobicContact CG-CD1 4.25Å; L264-L323 HydrophobicContact CG-CD2 4.08Å; L265-L323 HydrophobicContact CD1-CD2 4.4Å; L265-L323 HydrophobicContact CD1-CG 4.41Å; M268-L323 HydrophobicContact SD-CD2 4.38Å; A319-L323 WeakPolarHBondContact O-CG 3.31Å; A319-L323 PolarHBondContact O-N 3.46Å; H320-L323 PolarHBondContact O-N 2.91Å; L323-Y325 VanDerWaalsContact C-N 3.34Å; L323-Y325 PolarHBondContact O-N 3.32Å; L323-F326 PolarHBondContact O-N 3.28Å; L323-H327 WeakPolarHBondContact O-CB 3.45Å; L323-H327 PolarHBondContact O-N 3.27Å
324M85.9Confident78.2Confident65 Ų6567.9 Ų67.932%0.3234%0.342SS..Hα-helixtrans-59.8-44.7173.8-72.8-95.880.600111.5H320 V321 A322 H327 L328H320-M324 WeakPolarHBondContact O-CB 3.46Å; H320-M324 VanDerWaalsContact O-CG 3.22Å; H320-M324 WeakPolarHBondContact O-CG 3.44Å; H320-M324 PolarHBondContact O-N 2.87Å; V321-M324 PolarHBondContact O-N 3.29Å; A322-M324 VanDerWaalsContact C-N 3.32Å; A322-M324 PolarHBondContact O-N 3.14Å; M324-H327 PolarHBondContact O-N 3.18Å; M324-L328 WeakPolarHBondContact O-CD1 3.43Å; M324-L328 PolarHBondContact O-N 3.04Å
325Y87.2Confident75.6Confident96 Ų9680.1 Ų80.138%0.37640%0.399SS..Hα-helixtrans-60.6-46.2176.4176.7-96.7000112.1F304 V321 A322 L323 H327 L328 I329F304-Y325 AromaticContact CE1-CD1 3.72Å; F304-Y325 HydrophobicContact CE1-CD1 3.72Å; F304-Y325 HydrophobicContact CE1-CD2 4.1Å; F304-Y325 HydrophobicContact CE1-CE1 4.4Å; F304-Y325 AromaticContact CE1-CG 3.53Å; F304-Y325 HydrophobicContact CE1-CG 3.53Å; F304-Y325 AromaticContact CZ-CD1 3.42Å; F304-Y325 HydrophobicContact CZ-CD1 3.42Å; F304-Y325 VanDerWaalsContact CZ-CD1 3.42Å; F304-Y325 AromaticContact CZ-CE1 3.92Å; F304-Y325 HydrophobicContact CZ-CE1 3.92Å; F304-Y325 AromaticContact CZ-CG 3.78Å; F304-Y325 HydrophobicContact CZ-CG 3.78Å; V321-Y325 PolarHBondContact O-N 3.39Å; A322-Y325 WeakPolarHBondContact O-CB 3.32Å; A322-Y325 PolarHBondContact O-N 2.95Å; L323-Y325 VanDerWaalsContact C-N 3.34Å; L323-Y325 PolarHBondContact O-N 3.32Å; Y325-H327 VanDerWaalsContact C-N 3.31Å; Y325-H327 PolarHBondContact O-N 2.95Å; Y325-L328 PolarHBondContact O-N 2.97Å; Y325-I329 HydrophobicContact CD1-CD1 3.73Å; Y325-I329 HydrophobicContact CD2-CD1 3.81Å; Y325-I329 HydrophobicContact CE1-CD1 3.22Å; Y325-I329 HydrophobicContact CE2-CD1 3.3Å; Y325-I329 HydrophobicContact CG-CD1 4.01Å; Y325-I329 PolarHBondContact O-N 3.14Å; Y325-I329 VanDerWaalsContact OH-CD1 3.27Å; Y325-I329 WeakPolarHBondContact OH-CD1 3.46Å
326F83.7Confident74.9Confident7 Ų781 Ų813%0.03141%0.406CS..Hα-helixtrans-65-35.1177.3-67.9-56000113.1M268 W274 L298 Q302 F304 A322 L323 G330 C331M268-F326 HydrophobicContact CE-CD2 3.36Å; M268-F326 HydrophobicContact CE-CE2 3.4Å; M268-F326 HydrophobicContact CE-CG 4.12Å; M268-F326 HydrophobicContact CE-CZ 4.19Å; M268-F326 HydrophobicContact SD-CD2 4.04Å; M268-F326 HydrophobicContact SD-CG 4.33Å; W274-F326 AromaticContact CH2-CE1 3.86Å; W274-F326 HydrophobicContact CH2-CE1 3.86Å; W274-F326 HydrophobicContact CH2-CZ 4.24Å; W274-F326 HydrophobicContact CZ3-CD1 4.43Å; W274-F326 AromaticContact CZ3-CE1 3.68Å; W274-F326 HydrophobicContact CZ3-CE1 3.68Å; W274-F326 HydrophobicContact CZ3-CE2 4.29Å; W274-F326 AromaticContact CZ3-CZ 3.6Å; W274-F326 HydrophobicContact CZ3-CZ 3.6Å; L298-F326 HydrophobicContact CD1-CE2 3.66Å; L298-F326 HydrophobicContact CD1-CZ 3.79Å; Q302-F326 VanDerWaalsContact OE1-CE1 3.28Å; F304-F326 HydrophobicContact CE2-CZ 4.39Å; A322-F326 HydrophobicContact CB-CE2 4.22Å; A322-F326 WeakPolarHBondContact O-CD2 3.32Å; A322-F326 PolarHBondContact O-N 3.32Å; L323-F326 PolarHBondContact O-N 3.28Å; F326-G330 PolarHBondContact O-N 3.44Å; F326-C331 HydrophobicContact CD1-CB 4.48Å; F326-C331 PolarHBondContact O-N 3.44Å
327H79.3Confident74.1Confident145 Ų14582.5 Ų82.567%0.67142%0.417SS*.Hα-helixtrans-65.5-41.9174.4-166.271.5000111.7L323 M324 Y325 G330L323-H327 WeakPolarHBondContact O-CB 3.45Å; L323-H327 PolarHBondContact O-N 3.27Å; M324-H327 PolarHBondContact O-N 3.18Å; Y325-H327 VanDerWaalsContact C-N 3.31Å; Y325-H327 PolarHBondContact O-N 2.95Å; H327-G330 PolarHBondContact O-N 3.44Å
328L79.4Confident73.3Confident145 Ų14582.1 Ų82.176%0.75942%0.417SS*.Hα-helixtrans-66.3-38.4178.8-84.3155.9000113.2M324 Y325 G330M324-L328 WeakPolarHBondContact O-CD1 3.43Å; M324-L328 PolarHBondContact O-N 3.04Å; Y325-L328 PolarHBondContact O-N 2.97Å; L328-G330 PolarHBondContact O-N 3.32Å
329I79.3Confident72.2Confident93 Ų9386.9 Ų86.948%0.47744%0.441SS..THydrogen-bonded Turntrans-78.5-5.9-178.8-72.3166.2000112.3Y325 C331Y325-I329 HydrophobicContact CD1-CD1 3.73Å; Y325-I329 HydrophobicContact CD2-CD1 3.81Å; Y325-I329 HydrophobicContact CE1-CD1 3.22Å; Y325-I329 HydrophobicContact CE2-CD1 3.3Å; Y325-I329 HydrophobicContact CG-CD1 4.01Å; Y325-I329 PolarHBondContact O-N 3.14Å; Y325-I329 VanDerWaalsContact OH-CD1 3.27Å; Y325-I329 WeakPolarHBondContact OH-CD1 3.46Å; I329-C331 VanDerWaalsContact C-N 3.26Å; I329-C331 PolarHBondContact O-N 2.86Å
330G63.5Low71Confident51 Ų5192.4 Ų92.453%0.52647%0.469SS..THydrogen-bonded Turntrans69.129.1-179.700000112F326 H327 L328 E332F326-G330 PolarHBondContact O-N 3.44Å; H327-G330 PolarHBondContact O-N 3.44Å; L328-G330 PolarHBondContact O-N 3.32Å; G330-E332 PolarHBondContact O-N 3.44Å
331C56.4Low69.8Low62 Ų6294.5 Ų94.542%0.41948%0.481SS..  trans-70.961.3160.4-85.10000108.9F326 I329 T333F326-C331 HydrophobicContact CD1-CB 4.48Å; F326-C331 PolarHBondContact O-N 3.44Å; I329-C331 VanDerWaalsContact C-N 3.26Å; I329-C331 PolarHBondContact O-N 2.86Å; C331-T333 PolarHBondContact O-N 3.34Å
332E47.7Very low68.4Low162 Ų16297.6 Ų97.676%0.75749%0.494SS*.  trans-61.9109.8167.3-74-174.7160.300107.3G330 K334G330-E332 PolarHBondContact O-N 3.44Å; E332-K334 PolarHBondContact O-N 3.35Å
333T44.8Very low66.8Low67 Ų67105.1 Ų105.141%0.41153%0.532SS..  trans-50.993.2154.444.80000107.6M268 C331 Q335M268-T333 HydrophobicContact CG-CG2 4.39Å; C331-T333 PolarHBondContact O-N 3.34Å; T333-Q335 PolarHBondContact O-N 3.22Å
334K38.6Very low65Low190 Ų190111.7 Ų111.783%0.82657%0.565SS**  trans-57.1112.8160-76.7-175.2177179.50106.4E332E332-K334 PolarHBondContact O-N 3.35Å
335Q34.2Very low63.1Low257 Ų257115.9 Ų115.9100%1.20159%0.587SS**  trans-56.70165-82.9-178.1-11.400110.8T333T333-Q335 PolarHBondContact O-N 3.22Å

Retrieved 335 of 335 residues in 372.5 ms (Link to these results)

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