A0A077Z2Z7_TRITR Loading...

Sumo conjugating enzyme ubc9 a sumo conjugating enzyme ubc9 sumo conjugating enzyme hus5

AlphaFold DB , UniProt , Accession A0A077Z2Z7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 156 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
1M54Low84.9Confident245 Ų24570.6 Ų70.6100%1.20736%0.364SS*.  0127.80-105.9176.6-86.700107.1
2M70.5Confident85.4Confident98 Ų9865.3 Ų65.348%0.48334%0.337SS..  trans-68.9154171.3-72.7-101.9-85.100108.7A6 D7 T10 I38M2-A6 HydrophobicContact CB-CB 4.05Å; M2-A6 HydrophobicContact CE-CB 3.89Å; M2-A6 HydrophobicContact SD-CB 3.87Å; M2-D7 WeakPolarHBondContact CB-OD1 3.34Å; M2-T10 WeakPolarHBondContact CE-OG1 3.42Å; M2-I38 HydrophobicContact CE-CD1 4.48Å
3S87.4Confident86.1Confident53 Ų5364.8 Ų64.837%0.37133%0.328SS..  trans-69.7157.6172.465.70000110.2A5 A6 D7S3-A5 PolarHBondContact O-N 2.61Å; S3-A5 VanDerWaalsContact O-N 3.16Å; S3-A6 WeakPolarHBondContact O-CB 3.36Å; S3-A6 PolarHBondContact O-N 3.01Å; S3-A6 WeakPolarHBondContact OG-CB 3.34Å; S3-A6 PolarHBondContact OG-N 3.22Å; S3-D7 PolarHBondContact O-N 3.32Å
4L87.7Confident86.6Confident132 Ų13268.6 Ų68.669%0.69134%0.341SS*.Hα-helixtrans-51.7-39.1174.2178.365.1000111.8R8L4-R8 WeakPolarHBondContact O-CB 3.47Å; L4-R8 PolarHBondContact O-N 3.46Å
5A86.8Confident87Confident1 Ų170.9 Ų70.91%0.00834%0.344CS..Hα-helixtrans-61.2-49.917500000111.7S3 D7 R8 L9 F39 E66 Y68S3-A5 PolarHBondContact O-N 2.61Å; S3-A5 VanDerWaalsContact O-N 3.16Å; A5-D7 VanDerWaalsContact C-N 3.35Å; A5-D7 PolarHBondContact O-N 2.87Å; A5-R8 PolarHBondContact O-N 3.49Å; A5-L9 WeakPolarHBondContact O-CB 3.22Å; A5-L9 WeakPolarHBondContact O-CG 3.47Å; A5-L9 PolarHBondContact O-N 2.83Å; A5-F39 HydrophobicContact CB-CE1 3.67Å; A5-F39 HydrophobicContact CB-CZ 4.05Å; A5-E66 WeakPolarHBondContact CB-O 3.2Å; A5-Y68 VanDerWaalsContact CA-O 3.24Å; A5-Y68 WeakPolarHBondContact CA-O 3.38Å; A5-Y68 WeakPolarHBondContact CB-O 3.44Å
6A92.9Very high87.4Confident4 Ų467.3 Ų67.33%0.03333%0.326CS..Hα-helixtrans-63.5-38.6-179.800000112.6M2 S3 T10 I38 F39M2-A6 HydrophobicContact CB-CB 4.05Å; M2-A6 HydrophobicContact CE-CB 3.89Å; M2-A6 HydrophobicContact SD-CB 3.87Å; S3-A6 WeakPolarHBondContact O-CB 3.36Å; S3-A6 PolarHBondContact O-N 3.01Å; S3-A6 WeakPolarHBondContact OG-CB 3.34Å; S3-A6 PolarHBondContact OG-N 3.22Å; A6-T10 WeakPolarHBondContact O-CB 3.43Å; A6-T10 PolarHBondContact O-N 3.16Å; A6-T10 PolarHBondContact O-OG1 2.97Å; A6-I38 HydrophobicContact CB-CD1 3.48Å; A6-I38 VanDerWaalsContact CB-CD1 3.48Å; A6-F39 HydrophobicContact CB-CZ 4.43Å
7D90.5Very high87.8Confident81 Ų8174.5 Ų74.543%0.43335%0.349SS..Hα-helixtrans-64.4-49.3175.2-76.1-24.1000110.8M2 S3 A5 L9 T10 E11M2-D7 WeakPolarHBondContact CB-OD1 3.34Å; S3-D7 PolarHBondContact O-N 3.32Å; A5-D7 VanDerWaalsContact C-N 3.35Å; A5-D7 PolarHBondContact O-N 2.87Å; D7-L9 PolarHBondContact O-N 2.78Å; D7-T10 PolarHBondContact O-N 3.41Å; D7-E11 PolarHBondContact O-N 2.92Å
8R88.6Confident88.2Confident42 Ų4280.9 Ų80.916%0.15838%0.375CS..Hα-helixtrans-58.2-46.2177176.261.7-176.4-96.8-2.6111.6L4 A5 T10 E11 E12 Y68 V124L4-R8 WeakPolarHBondContact O-CB 3.47Å; L4-R8 PolarHBondContact O-N 3.46Å; A5-R8 PolarHBondContact O-N 3.49Å; R8-T10 VanDerWaalsContact C-N 3.31Å; R8-T10 PolarHBondContact O-N 2.98Å; R8-E11 PolarHBondContact O-N 3.35Å; R8-E12 IonicContact CZ-OE1 3.25Å; R8-E12 VanDerWaalsContact CZ-OE1 3.25Å; R8-E12 IonicContact NE-OE1 2.78Å; R8-E12 PolarHBondContact NE-OE1 2.8Å; R8-E12 IonicContact NH2-OE1 2.84Å; R8-E12 PolarHBondContact NH2-OE1 3.11Å; R8-E12 WeakPolarHBondContact O-CG 3.32Å; R8-E12 PolarHBondContact O-N 2.87Å; R8-Y68 HydrophobicContact CB-CE1 4.14Å; R8-Y68 HydrophobicContact CG-CD1 4.25Å; R8-Y68 HydrophobicContact CG-CE1 3.45Å; R8-Y68 VanDerWaalsContact CG-CE1 3.45Å; R8-V124 PolarHBondContact NH2-O 3.05Å; R8-V124 VanDerWaalsContact NH2-O 3.1Å
9L92.3Very high88.3Confident0 Ų083.4 Ų83.40%039%0.392CS..Hα-helixtrans-66.6-32.9-179.7-68.3170.4000112.7A5 D7 E12 R13 F39 F64 Y68A5-L9 WeakPolarHBondContact O-CB 3.22Å; A5-L9 WeakPolarHBondContact O-CG 3.47Å; A5-L9 PolarHBondContact O-N 2.83Å; D7-L9 PolarHBondContact O-N 2.78Å; L9-E12 PolarHBondContact O-N 3.22Å; L9-R13 PolarHBondContact O-N 3Å; L9-F39 HydrophobicContact CD1-CD1 3.76Å; L9-F39 HydrophobicContact CD1-CE1 3.99Å; L9-F39 HydrophobicContact CD1-CG 4.24Å; L9-F64 HydrophobicContact CD1-CB 3.96Å; L9-F64 HydrophobicContact CD1-CD2 4.3Å; L9-F64 HydrophobicContact CD1-CG 4.1Å; L9-F64 HydrophobicContact CD2-CB 4.29Å; L9-F64 HydrophobicContact CD2-CD1 3.62Å; L9-F64 HydrophobicContact CD2-CD2 3.56Å; L9-F64 HydrophobicContact CD2-CE1 3.69Å; L9-F64 HydrophobicContact CD2-CE2 3.64Å; L9-F64 HydrophobicContact CD2-CG 3.55Å; L9-F64 HydrophobicContact CD2-CZ 3.7Å; L9-F64 HydrophobicContact CG-CG 4.45Å; L9-Y68 HydrophobicContact CD1-CD1 4.38Å; L9-Y68 HydrophobicContact CD2-CD1 3.92Å; L9-Y68 HydrophobicContact CD2-CE1 3.59Å; L9-Y68 HydrophobicContact CG-CD1 3.92Å; L9-Y68 HydrophobicContact CG-CE1 3.94Å
10T92.6Very high88.6Confident39 Ų3982.8 Ų82.824%0.23939%0.388CS..Hα-helixtrans-66.2-41.7173.3-60.80000111M2 A6 D7 R8 R13 K14M2-T10 WeakPolarHBondContact CE-OG1 3.42Å; A6-T10 WeakPolarHBondContact O-CB 3.43Å; A6-T10 PolarHBondContact O-N 3.16Å; A6-T10 PolarHBondContact O-OG1 2.97Å; D7-T10 PolarHBondContact O-N 3.41Å; R8-T10 VanDerWaalsContact C-N 3.31Å; R8-T10 PolarHBondContact O-N 2.98Å; T10-R13 PolarHBondContact O-N 2.81Å; T10-K14 WeakPolarHBondContact O-CG 3.45Å; T10-K14 PolarHBondContact O-N 3.21Å
11E91Very high88.8Confident82 Ų8281.1 Ų81.138%0.38339%0.385SS..Hα-helixtrans-67.2-39.8173.8-67-50.8125.800112.7D7 R8 R13 K14 R15D7-E11 PolarHBondContact O-N 2.92Å; R8-E11 PolarHBondContact O-N 3.35Å; E11-R13 VanDerWaalsContact C-N 3.26Å; E11-R13 PolarHBondContact O-N 3.39Å; E11-K14 PolarHBondContact O-N 2.81Å; E11-K14 WeakPolarHBondContact OE1-CD 3.17Å; E11-K14 WeakPolarHBondContact OE1-CE 3.43Å; E11-K14 IonicContact OE1-NZ 2.68Å; E11-K14 PolarHBondContact OE1-NZ 3.33Å; E11-K14 IonicContact OE2-NZ 3.99Å; E11-R15 WeakPolarHBondContact O-CG 3.32Å; E11-R15 PolarHBondContact O-N 3.33Å
12E90.5Very high90.7Very high7 Ų774.1 Ų74.13%0.03337%0.366CS..Hα-helixtrans-55.3-44.2170.8-67.8-64167.700110.8R8 L9 K14 R15 W16 W41 S126R8-E12 IonicContact CZ-OE1 3.25Å; R8-E12 VanDerWaalsContact CZ-OE1 3.25Å; R8-E12 IonicContact NE-OE1 2.78Å; R8-E12 PolarHBondContact NE-OE1 2.8Å; R8-E12 IonicContact NH2-OE1 2.84Å; R8-E12 PolarHBondContact NH2-OE1 3.11Å; R8-E12 WeakPolarHBondContact O-CG 3.32Å; R8-E12 PolarHBondContact O-N 2.87Å; L9-E12 PolarHBondContact O-N 3.22Å; E12-K14 PolarHBondContact O-N 2.76Å; E12-R15 PolarHBondContact O-N 3.41Å; E12-R15 IonicContact OE1-NH2 2.79Å; E12-R15 PolarHBondContact OE1-NH2 3.3Å; E12-R15 IonicContact OE2-CZ 3.71Å; E12-R15 IonicContact OE2-NE 3.72Å; E12-R15 IonicContact OE2-NH2 2.85Å; E12-R15 PolarHBondContact OE2-NH2 2.72Å; E12-W16 WeakPolarHBondContact O-CB 3.19Å; E12-W16 PolarHBondContact O-N 2.86Å; E12-W41 HydrophobicContact CB-CH2 4.28Å; E12-W41 HydrophobicContact CB-CZ2 4.42Å; E12-S126 WeakPolarHBondContact OE2-CB 3.41Å
13R94.4Very high91.8Very high59 Ų5971.6 Ų71.622%0.22336%0.364CS..Hα-helixtrans-65.8-39.1179.7-17758.5179.9155.2-5.8112.4L9 T10 E11 R17 A26 F28 W41L9-R13 PolarHBondContact O-N 3Å; T10-R13 PolarHBondContact O-N 2.81Å; E11-R13 VanDerWaalsContact C-N 3.26Å; E11-R13 PolarHBondContact O-N 3.39Å; R13-R17 WeakPolarHBondContact O-CG 3.5Å; R13-R17 PolarHBondContact O-N 2.85Å; R13-R17 VanDerWaalsContact O-N 3.1Å; R13-A26 PolarHBondContact NH1-O 2.8Å; R13-F28 HydrophobicContact CB-CE1 4.18Å; R13-F28 HydrophobicContact CB-CE2 4.29Å; R13-F28 HydrophobicContact CB-CZ 3.62Å; R13-F28 HydrophobicContact CG-CE1 4.36Å; R13-F28 HydrophobicContact CG-CE2 3.88Å; R13-F28 HydrophobicContact CG-CZ 3.7Å; R13-W41 HydrophobicContact CB-CH2 3.68Å; R13-W41 HydrophobicContact CB-CZ2 4.19Å; R13-W41 HydrophobicContact CG-CH2 4.34Å
14K93.9Very high92.3Very high117 Ų11769.5 Ų69.551%0.50935%0.349SS..Hα-helixtrans-63.6-46.4175.3-72.1174-174.6169.40111.1T10 E11 E12 R17 K18T10-K14 WeakPolarHBondContact O-CG 3.45Å; T10-K14 PolarHBondContact O-N 3.21Å; E11-K14 PolarHBondContact O-N 2.81Å; E11-K14 WeakPolarHBondContact OE1-CD 3.17Å; E11-K14 WeakPolarHBondContact OE1-CE 3.43Å; E11-K14 IonicContact OE1-NZ 2.68Å; E11-K14 PolarHBondContact OE1-NZ 3.33Å; E11-K14 IonicContact OE2-NZ 3.99Å; E12-K14 PolarHBondContact O-N 2.76Å; K14-R17 PolarHBondContact O-N 2.88Å; K14-K18 PolarHBondContact O-N 3.5Å; K14-K18 VanDerWaalsContact O-N 3.1Å
15R91.2Very high92.8Very high104 Ų10466.2 Ų66.239%0.39233%0.334SS..Hα-helixtrans-60.1-49.7176.4-71.9-168.1-63.7-122.47.3111.9E11 E12 R17 K18 D19E11-R15 WeakPolarHBondContact O-CG 3.32Å; E11-R15 PolarHBondContact O-N 3.33Å; E12-R15 PolarHBondContact O-N 3.41Å; E12-R15 IonicContact OE1-NH2 2.79Å; E12-R15 PolarHBondContact OE1-NH2 3.3Å; E12-R15 IonicContact OE2-CZ 3.71Å; E12-R15 IonicContact OE2-NE 3.72Å; E12-R15 IonicContact OE2-NH2 2.85Å; E12-R15 PolarHBondContact OE2-NH2 2.72Å; R15-R17 VanDerWaalsContact C-N 3.27Å; R15-R17 PolarHBondContact O-N 2.84Å; R15-K18 WeakPolarHBondContact O-CB 3.44Å; R15-K18 PolarHBondContact O-N 2.81Å; R15-D19 PolarHBondContact O-N 2.79Å
16W93.7Very high93.3Very high13 Ų1366.4 Ų66.45%0.04934%0.336CS..Hα-helixtrans-54.8-42.8177.2-174.3-77.2000112.8E12 K18 D19 H20 F24 A26 L127 L128 L131E12-W16 WeakPolarHBondContact O-CB 3.19Å; E12-W16 PolarHBondContact O-N 2.86Å; W16-K18 VanDerWaalsContact C-N 3.29Å; W16-K18 PolarHBondContact O-N 2.92Å; W16-D19 CarbonylContact O-C 3.28Å; W16-H20 AromaticContact CD1-ND1 3.68Å; W16-H20 HydrophobicContact CD2-CB 4.01Å; W16-H20 AromaticContact CE2-CD2 3.78Å; W16-H20 AromaticContact CE2-CG 3.58Å; W16-H20 AromaticContact CE2-ND1 3.95Å; W16-H20 HydrophobicContact CE3-CB 4.29Å; W16-H20 HydrophobicContact CH2-CB 4.28Å; W16-H20 HydrophobicContact CZ2-CB 3.96Å; W16-H20 AromaticContact CZ2-CD2 3.67Å; W16-H20 AromaticContact CZ2-CG 3.83Å; W16-H20 HydrophobicContact CZ3-CB 4.42Å; W16-H20 AromaticContact NE1-CD2 3.69Å; W16-H20 AromaticContact NE1-CE1 3.55Å; W16-H20 AromaticContact NE1-CG 3.51Å; W16-H20 AromaticContact NE1-ND1 3.4Å; W16-H20 PolarHBondContact NE1-ND1 3.36Å; W16-H20 AromaticContact NE1-NE2 3.67Å; W16-H20 PolarHBondContact O-ND1 3.39Å; W16-F24 HydrophobicContact CH2-CB 3.75Å; W16-F24 HydrophobicContact CH2-CD1 4.49Å; W16-F24 HydrophobicContact CZ2-CB 3.89Å; W16-A26 HydrophobicContact CD2-CB 3.63Å; W16-A26 HydrophobicContact CE3-CB 3.99Å; W16-A26 HydrophobicContact CG-CB 4.27Å; W16-A26 HydrophobicContact CH2-CB 3.82Å; W16-A26 HydrophobicContact CZ2-CB 3.48Å; W16-A26 VanDerWaalsContact CZ2-CB 3.48Å; W16-A26 HydrophobicContact CZ3-CB 4.07Å; W16-L127 HydrophobicContact CE3-CD2 4.26Å; W16-L127 HydrophobicContact CE3-CG 4.49Å; W16-L127 HydrophobicContact CZ3-CD2 4.5Å; W16-L127 HydrophobicContact CZ3-CG 4.41Å; W16-L128 HydrophobicContact CH2-CD1 4.42Å; W16-L128 HydrophobicContact CZ3-CB 4.12Å; W16-L128 HydrophobicContact CZ3-CD1 4.05Å; W16-L131 HydrophobicContact CH2-CD1 3.58Å; W16-L131 HydrophobicContact CZ3-CD1 3.75Å
17R94.7Very high93.4Very high190 Ų19071.8 Ų71.872%0.71736%0.358SS*.Hα-helixtrans-70.8-26.4179.6-75.6-177.666.8165.72113.1R13 K14 R15R13-R17 WeakPolarHBondContact O-CG 3.5Å; R13-R17 PolarHBondContact O-N 2.85Å; R13-R17 VanDerWaalsContact O-N 3.1Å; K14-R17 PolarHBondContact O-N 2.88Å; R15-R17 VanDerWaalsContact C-N 3.27Å; R15-R17 PolarHBondContact O-N 2.84Å
18K94.4Very high93.7Very high190 Ų19069.4 Ų69.483%0.82634%0.344SS*.Hα-helixtrans-74.2-46.1176.4-177.2-178.6175.8-174.60110.3K14 R15 W16K14-K18 PolarHBondContact O-N 3.5Å; K14-K18 VanDerWaalsContact O-N 3.1Å; R15-K18 WeakPolarHBondContact O-CB 3.44Å; R15-K18 PolarHBondContact O-N 2.81Å; W16-K18 VanDerWaalsContact C-N 3.29Å; W16-K18 PolarHBondContact O-N 2.92Å
19D90.8Very high94.1Very high128 Ų12867.7 Ų67.768%0.68434%0.339SS*.  trans-157.4136.2-178.7-167.218.5000111.4R15 W16R15-D19 PolarHBondContact O-N 2.79Å; W16-D19 CarbonylContact O-C 3.28Å
20H93.2Very high94.2Very high71 Ų7174.9 Ų74.933%0.32937%0.372SS..  trans-158.2152.1167.960-79.7000109.7W16 F24W16-H20 AromaticContact CD1-ND1 3.68Å; W16-H20 HydrophobicContact CD2-CB 4.01Å; W16-H20 AromaticContact CE2-CD2 3.78Å; W16-H20 AromaticContact CE2-CG 3.58Å; W16-H20 AromaticContact CE2-ND1 3.95Å; W16-H20 HydrophobicContact CE3-CB 4.29Å; W16-H20 HydrophobicContact CH2-CB 4.28Å; W16-H20 HydrophobicContact CZ2-CB 3.96Å; W16-H20 AromaticContact CZ2-CD2 3.67Å; W16-H20 AromaticContact CZ2-CG 3.83Å; W16-H20 HydrophobicContact CZ3-CB 4.42Å; W16-H20 AromaticContact NE1-CD2 3.69Å; W16-H20 AromaticContact NE1-CE1 3.55Å; W16-H20 AromaticContact NE1-CG 3.51Å; W16-H20 AromaticContact NE1-ND1 3.4Å; W16-H20 PolarHBondContact NE1-ND1 3.36Å; W16-H20 AromaticContact NE1-NE2 3.67Å; W16-H20 PolarHBondContact O-ND1 3.39Å; H20-F24 PolarHBondContact CD2-O 3.01Å; H20-F24 PolarHBondContact NE2-O 2.79Å
21P93.8Very high94.3Very high48 Ų4877.9 Ų77.931%0.31238%0.382SS..  trans-60.5147179.4-2334000112.9F24 L128P21-F24 HydrophobicContact CB-CD2 3.85Å; P21-F24 HydrophobicContact CB-CE2 4.2Å; P21-F24 HydrophobicContact CG-CD2 4.45Å; P21-F24 PolarHBondContact O-N 3.34Å; P21-L128 VanDerWaalsContact CD-CD1 3.47Å; P21-L128 HydrophobicContact CG-CD1 3.93Å; P21-L128 HydrophobicContact CG-CD2 4.28Å
22A93.1Very high94.4Very high98 Ų9879.7 Ų79.781%0.8141%0.411SS*.THydrogen-bonded Turntrans-56.6140.8178.500000111.9F24A22-F24 PolarHBondContact O-N 3.45Å
23G95.3Very high94.6Very high44 Ų4485.3 Ų85.345%0.45444%0.441SS..THydrogen-bonded Turntrans84.3-21.6178.800000114.8L57G23-L57 WeakPolarHBondContact O-CD1 3.48Å
24F97.5Very high94.6Very high10 Ų1084.8 Ų84.84%0.04445%0.454CS..  trans-72.3142.1170.4-75.8-99.6000111W16 H20 P21 A22 I45 P46 L131 E132 Q135W16-F24 HydrophobicContact CH2-CB 3.75Å; W16-F24 HydrophobicContact CH2-CD1 4.49Å; W16-F24 HydrophobicContact CZ2-CB 3.89Å; H20-F24 PolarHBondContact CD2-O 3.01Å; H20-F24 PolarHBondContact NE2-O 2.79Å; P21-F24 HydrophobicContact CB-CD2 3.85Å; P21-F24 HydrophobicContact CB-CE2 4.2Å; P21-F24 HydrophobicContact CG-CD2 4.45Å; P21-F24 PolarHBondContact O-N 3.34Å; A22-F24 PolarHBondContact O-N 3.45Å; F24-I45 HydrophobicContact CE1-CG1 4.38Å; F24-I45 HydrophobicContact CE1-CG2 4.01Å; F24-I45 HydrophobicContact CZ-CG2 4.41Å; F24-P46 HydrophobicContact CD2-CG 3.6Å; F24-P46 HydrophobicContact CE2-CG 3.61Å; F24-P46 HydrophobicContact CG-CG 4.2Å; F24-P46 HydrophobicContact CZ-CG 4.21Å; F24-L131 HydrophobicContact CD1-CB 3.97Å; F24-L131 HydrophobicContact CD1-CD1 4.36Å; F24-L131 HydrophobicContact CE1-CB 3.83Å; F24-E132 HydrophobicContact CE1-CG 4.45Å; F24-E132 HydrophobicContact CZ-CG 4.15Å; F24-Q135 HydrophobicContact CZ-CB 4.26Å; F24-Q135 HydrophobicContact CZ-CG 4.44Å
25V97.5Very high94.7Very high63 Ų6381.3 Ų81.338%0.38245%0.445SS..EExtended strand (participates in β ladder)trans-128.9137.3176.3-178.70000108.9C43 A44V25-C43 CarbonylContact O-C 3.56Å; V25-C43 WeakPolarHBondContact O-CA 3.17Å; V25-C43 VanDerWaalsContact O-CB 3.29Å; V25-C43 WeakPolarHBondContact O-CB 3.45Å; V25-A44 HydrophobicContact CB-CB 3.94Å; V25-A44 HydrophobicContact CG2-CB 4.22Å; V25-A44 PolarHBondContact N-O 2.73Å; V25-A44 PolarHBondContact O-N 3.4Å
26A97.5Very high94.8Very high5 Ų580.9 Ų80.94%0.04145%0.45CS..EExtended strand (participates in β ladder)trans-148.5130.9167.700000110.7R13 W16 W41 L127R13-A26 PolarHBondContact NH1-O 2.8Å; W16-A26 HydrophobicContact CD2-CB 3.63Å; W16-A26 HydrophobicContact CE3-CB 3.99Å; W16-A26 HydrophobicContact CG-CB 4.27Å; W16-A26 HydrophobicContact CH2-CB 3.82Å; W16-A26 HydrophobicContact CZ2-CB 3.48Å; W16-A26 VanDerWaalsContact CZ2-CB 3.48Å; W16-A26 HydrophobicContact CZ3-CB 4.07Å; A26-W41 HydrophobicContact CB-CE3 3.84Å; A26-W41 HydrophobicContact CB-CZ3 4Å; A26-L127 HydrophobicContact CB-CD2 3.75Å
27K95.7Very high94.9Very high116 Ų11681.5 Ų81.550%0.50445%0.454SS..EExtended strand (participates in β ladder)trans-148.2152174.560.2-179.9-177.7179.40110.2S29 W41 D42K27-S29 PolarHBondContact O-N 2.83Å; K27-W41 CarbonylContact O-C 3.41Å; K27-W41 WeakPolarHBondContact O-CA 3.18Å; K27-D42 HydrophobicContact CG-CB 4.33Å; K27-D42 WeakPolarHBondContact CG-O 3.42Å; K27-D42 PolarHBondContact N-O 3.14Å; K27-D42 PolarHBondContact O-N 2.75Å
28F96.8Very high95Very high32 Ų3274.4 Ų74.414%0.1443%0.43CS..EExtended strand (participates in β ladder)trans-58.1138.7167.4-59.6-38.9000110.1R13 L36 I38 W41R13-F28 HydrophobicContact CB-CE1 4.18Å; R13-F28 HydrophobicContact CB-CE2 4.29Å; R13-F28 HydrophobicContact CB-CZ 3.62Å; R13-F28 HydrophobicContact CG-CE1 4.36Å; R13-F28 HydrophobicContact CG-CE2 3.88Å; R13-F28 HydrophobicContact CG-CZ 3.7Å; F28-L36 HydrophobicContact CB-CB 4.14Å; F28-L36 HydrophobicContact CB-CD2 4.32Å; F28-L36 HydrophobicContact CD2-CB 4.44Å; F28-L36 HydrophobicContact CD2-CD1 4.16Å; F28-I38 HydrophobicContact CD1-CB 4.44Å; F28-I38 HydrophobicContact CD2-CG2 4.27Å; F28-I38 HydrophobicContact CE1-CB 4.11Å; F28-I38 HydrophobicContact CE1-CG2 4.33Å; F28-I38 HydrophobicContact CE2-CG2 4Å; F28-I38 HydrophobicContact CZ-CB 4.24Å; F28-I38 HydrophobicContact CZ-CG2 4.04Å; F28-W41 AromaticContact CD1-CD2 3.87Å; F28-W41 HydrophobicContact CD1-CD2 3.87Å; F28-W41 AromaticContact CD1-CE2 3.47Å; F28-W41 VanDerWaalsContact CD1-CE2 3.47Å; F28-W41 HydrophobicContact CD1-CE3 4.44Å; F28-W41 HydrophobicContact CD1-CG 4.3Å; F28-W41 HydrophobicContact CD1-CH2 4.48Å; F28-W41 AromaticContact CD1-CZ2 3.84Å; F28-W41 HydrophobicContact CD1-CZ2 3.84Å; F28-W41 AromaticContact CD1-NE1 3.52Å; F28-W41 HydrophobicContact CE1-CD2 4.13Å; F28-W41 AromaticContact CE1-CE2 3.31Å; F28-W41 AromaticContact CE1-CH2 3.94Å; F28-W41 HydrophobicContact CE1-CH2 3.94Å; F28-W41 AromaticContact CE1-CZ2 3.21Å; F28-W41 HydrophobicContact CE1-CZ2 3.21Å; F28-W41 AromaticContact CE1-NE1 3.52Å; F28-W41 HydrophobicContact CZ-CZ2 4.14Å
29S96.6Very high95.1Very high6 Ų666.6 Ų66.64%0.04240%0.396CS..EExtended strand (participates in β ladder)trans-69.7154.3172-70.20000110.2K27 L36 D37 K40 D42K27-S29 PolarHBondContact O-N 2.83Å; S29-L36 WeakPolarHBondContact O-CA 3.39Å; S29-D37 PolarHBondContact O-N 3.29Å; S29-K40 WeakPolarHBondContact CB-O 3.48Å; S29-K40 PolarHBondContact N-O 3.18Å; S29-K40 PolarHBondContact OG-O 2.91Å; S29-D42 WeakPolarHBondContact CA-OD2 3.35Å; S29-D42 WeakPolarHBondContact CB-OD2 3.24Å; S29-D42 PolarHBondContact OG-OD1 3.07Å; S29-D42 PolarHBondContact OG-OD2 3.3Å
30Q94.8Very high95.4Very high150 Ų15064.3 Ų64.370%0.70138%0.38SS*.EExtended strand (participates in β ladder)trans-91.9136.3170.8-72177.6-8.600110S35 L36Q30-S35 CarbonylContact C-O 3.52Å; Q30-S35 WeakPolarHBondContact CA-O 3.47Å; Q30-L36 HydrophobicContact CG-CD2 3.96Å
31K94.1Very high95.6Very high102 Ų10261 Ų6144%0.44336%0.364SS..PPolyproline II helixtrans-76.7169.3167.5-58.8-171.6-165.3171.60109.7D33 G34 S35 D37K31-D33 WeakPolarHBondContact CB-OD1 3.45Å; K31-D33 PolarHBondContact O-N 3.45Å; K31-G34 PolarHBondContact O-N 3.22Å; K31-S35 WeakPolarHBondContact CD-OG 3.37Å; K31-S35 PolarHBondContact N-O 3.02Å; K31-D37 HydrophobicContact CD-CB 4.41Å; K31-D37 HydrophobicContact CG-CB 3.83Å
32A93.7Very high95.8Very high120 Ų12060.8 Ų60.899%0.99236%0.361SS*.THydrogen-bonded Turntrans-61.2-27.2-179.300000113.6G34A32-G34 VanDerWaalsContact C-N 3.27Å; A32-G34 PolarHBondContact O-N 2.99Å
33D94.9Very high96Very high125 Ų12556.4 Ų56.467%0.66832%0.324SS*.THydrogen-bonded Turntrans-83.71.9176.865.70.4000113.6K31 S35K31-D33 WeakPolarHBondContact CB-OD1 3.45Å; K31-D33 PolarHBondContact O-N 3.45Å; D33-S35 VanDerWaalsContact C-N 3.29Å; D33-S35 PolarHBondContact O-N 3.46Å; D33-S35 VanDerWaalsContact OD1-CB 3.22Å; D33-S35 WeakPolarHBondContact OD1-CB 3.21Å; D33-S35 PolarHBondContact OD1-N 3.01Å; D33-S35 PolarHBondContact OD1-OG 3.22Å; D33-S35 PolarHBondContact OD2-OG 2.77Å
34G93.8Very high96.2Very high48 Ų4854.6 Ų54.650%0.49531%0.305SS..SBendtrans83.5-6-176.800000114.8K31 A32K31-G34 PolarHBondContact O-N 3.22Å; A32-G34 VanDerWaalsContact C-N 3.27Å; A32-G34 PolarHBondContact O-N 2.99Å
35S95Very high96.1Very high45 Ų4554.1 Ų54.132%0.31530%0.303SS..  trans-70.8159.717372.30000111.5Q30 K31 D33Q30-S35 CarbonylContact C-O 3.52Å; Q30-S35 WeakPolarHBondContact CA-O 3.47Å; K31-S35 WeakPolarHBondContact CD-OG 3.37Å; K31-S35 PolarHBondContact N-O 3.02Å; D33-S35 VanDerWaalsContact C-N 3.29Å; D33-S35 PolarHBondContact O-N 3.46Å; D33-S35 VanDerWaalsContact OD1-CB 3.22Å; D33-S35 WeakPolarHBondContact OD1-CB 3.21Å; D33-S35 PolarHBondContact OD1-N 3.01Å; D33-S35 PolarHBondContact OD1-OG 3.22Å; D33-S35 PolarHBondContact OD2-OG 2.77Å
36L94.9Very high96.2Very high95 Ų9552.3 Ų52.350%0.49729%0.292SS..EExtended strand (participates in β ladder)trans-84.7139.9177.7-60.9176.3000111.2F28 S29 Q30F28-L36 HydrophobicContact CB-CB 4.14Å; F28-L36 HydrophobicContact CB-CD2 4.32Å; F28-L36 HydrophobicContact CD2-CB 4.44Å; F28-L36 HydrophobicContact CD2-CD1 4.16Å; S29-L36 WeakPolarHBondContact O-CA 3.39Å; Q30-L36 HydrophobicContact CG-CD2 3.96Å
37D95.9Very high96.1Very high26 Ų2652.6 Ų52.614%0.13930%0.296CS..EExtended strand (participates in β ladder)trans-100106.3169.2-167.4-17000109.4S29 K31 F39 K40S29-D37 PolarHBondContact O-N 3.29Å; K31-D37 HydrophobicContact CD-CB 4.41Å; K31-D37 HydrophobicContact CG-CB 3.83Å; D37-F39 PolarHBondContact O-N 2.82Å; D37-F39 PolarHBondContact OD1-N 3.04Å; D37-K40 HydrophobicContact CB-CB 4.23Å; D37-K40 PolarHBondContact O-N 2.91Å; D37-K40 WeakPolarHBondContact OD2-CD 3.33Å; D37-K40 WeakPolarHBondContact OD2-CG 3.41Å
38I95.4Very high96.1Very high40 Ų4047.6 Ų47.621%0.20528%0.275CS..EExtended strand (participates in β ladder)trans-69.5-20.3-178.867176000112.8M2 A6 F28 W41M2-I38 HydrophobicContact CE-CD1 4.48Å; A6-I38 HydrophobicContact CB-CD1 3.48Å; A6-I38 VanDerWaalsContact CB-CD1 3.48Å; F28-I38 HydrophobicContact CD1-CB 4.44Å; F28-I38 HydrophobicContact CD2-CG2 4.27Å; F28-I38 HydrophobicContact CE1-CB 4.11Å; F28-I38 HydrophobicContact CE1-CG2 4.33Å; F28-I38 HydrophobicContact CE2-CG2 4Å; F28-I38 HydrophobicContact CZ-CB 4.24Å; F28-I38 HydrophobicContact CZ-CG2 4.04Å; I38-W41 PolarHBondContact O-NE1 3Å
39F96.3Very high96Very high27 Ų2748.8 Ų48.812%0.11829%0.291CS..EExtended strand (participates in β ladder)trans-89-8.6-179.8-71.7-89.4000112.6A5 A6 L9 D37 E63 F64 E66A5-F39 HydrophobicContact CB-CE1 3.67Å; A5-F39 HydrophobicContact CB-CZ 4.05Å; A6-F39 HydrophobicContact CB-CZ 4.43Å; L9-F39 HydrophobicContact CD1-CD1 3.76Å; L9-F39 HydrophobicContact CD1-CE1 3.99Å; L9-F39 HydrophobicContact CD1-CG 4.24Å; D37-F39 PolarHBondContact O-N 2.82Å; D37-F39 PolarHBondContact OD1-N 3.04Å; F39-E63 CarbonylContact O-C 3.6Å; F39-E63 WeakPolarHBondContact O-CA 3.4Å; F39-F64 HydrophobicContact CD1-CB 4.12Å; F39-F64 WeakPolarHBondContact CD1-O 3.05Å; F39-F64 PolarHBondContact O-N 2.85Å; F39-E66 WeakPolarHBondContact CZ-OE2 3.44Å
40K97.3Very high95.9Very high80 Ų8055.1 Ų55.135%0.34832%0.324SS..EExtended strand (participates in β ladder)trans-124.5127.4178.1-62.6-174.5-174.6175.60110S29 D37 V62 E63S29-K40 WeakPolarHBondContact CB-O 3.48Å; S29-K40 PolarHBondContact N-O 3.18Å; S29-K40 PolarHBondContact OG-O 2.91Å; D37-K40 HydrophobicContact CB-CB 4.23Å; D37-K40 PolarHBondContact O-N 2.91Å; D37-K40 WeakPolarHBondContact OD2-CD 3.33Å; D37-K40 WeakPolarHBondContact OD2-CG 3.41Å; K40-V62 CarbonylContact C-O 3.31Å; K40-V62 WeakPolarHBondContact CA-O 3.4Å; K40-E63 HydrophobicContact CD-CG 4.44Å; K40-E63 VanDerWaalsContact CE-OE2 3.32Å; K40-E63 WeakPolarHBondContact CE-OE2 3.44Å; K40-E63 HydrophobicContact CG-CB 4.45Å; K40-E63 HydrophobicContact CG-CG 4.07Å; K40-E63 IonicContact NZ-OE2 3.11Å
41W97.8Very high95.8Very high0 Ų048.9 Ų48.90%030%0.297CS..EExtended strand (participates in β ladder)trans-121.9130.2-177.2-66.757000109.8E12 R13 A26 K27 F28 I38 R61 V62 F64 L127E12-W41 HydrophobicContact CB-CH2 4.28Å; E12-W41 HydrophobicContact CB-CZ2 4.42Å; R13-W41 HydrophobicContact CB-CH2 3.68Å; R13-W41 HydrophobicContact CB-CZ2 4.19Å; R13-W41 HydrophobicContact CG-CH2 4.34Å; A26-W41 HydrophobicContact CB-CE3 3.84Å; A26-W41 HydrophobicContact CB-CZ3 4Å; K27-W41 CarbonylContact O-C 3.41Å; K27-W41 WeakPolarHBondContact O-CA 3.18Å; F28-W41 AromaticContact CD1-CD2 3.87Å; F28-W41 HydrophobicContact CD1-CD2 3.87Å; F28-W41 AromaticContact CD1-CE2 3.47Å; F28-W41 VanDerWaalsContact CD1-CE2 3.47Å; F28-W41 HydrophobicContact CD1-CE3 4.44Å; F28-W41 HydrophobicContact CD1-CG 4.3Å; F28-W41 HydrophobicContact CD1-CH2 4.48Å; F28-W41 AromaticContact CD1-CZ2 3.84Å; F28-W41 HydrophobicContact CD1-CZ2 3.84Å; F28-W41 AromaticContact CD1-NE1 3.52Å; F28-W41 HydrophobicContact CE1-CD2 4.13Å; F28-W41 AromaticContact CE1-CE2 3.31Å; F28-W41 AromaticContact CE1-CH2 3.94Å; F28-W41 HydrophobicContact CE1-CH2 3.94Å; F28-W41 AromaticContact CE1-CZ2 3.21Å; F28-W41 HydrophobicContact CE1-CZ2 3.21Å; F28-W41 AromaticContact CE1-NE1 3.52Å; F28-W41 HydrophobicContact CZ-CZ2 4.14Å; I38-W41 PolarHBondContact O-NE1 3Å; W41-R61 WeakPolarHBondContact O-CA 3.5Å; W41-V62 HydrophobicContact CB-CB 4.29Å; W41-V62 PolarHBondContact N-O 2.86Å; W41-V62 PolarHBondContact O-N 3.34Å; W41-F64 AromaticContact CD1-CD2 3.76Å; W41-F64 AromaticContact CD1-CE2 3.49Å; W41-F64 VanDerWaalsContact CD1-CE2 3.49Å; W41-F64 HydrophobicContact CG-CE2 4.07Å; W41-F64 AromaticContact NE1-CD2 3.91Å; W41-F64 AromaticContact NE1-CE2 3.61Å; W41-L127 HydrophobicContact CD2-CD2 3.92Å; W41-L127 HydrophobicContact CE3-CD2 3.32Å; W41-L127 HydrophobicContact CH2-CD2 3.86Å; W41-L127 HydrophobicContact CZ2-CD2 4.43Å; W41-L127 HydrophobicContact CZ3-CD2 3.28Å
42D97.7Very high95.7Very high45 Ų4550 Ų5024%0.24132%0.315CS..EExtended strand (participates in β ladder)trans-91.8108.5167.5-64.3-55.8000107.9K27 S29 R61K27-D42 HydrophobicContact CG-CB 4.33Å; K27-D42 WeakPolarHBondContact CG-O 3.42Å; K27-D42 PolarHBondContact N-O 3.14Å; K27-D42 PolarHBondContact O-N 2.75Å; S29-D42 WeakPolarHBondContact CA-OD2 3.35Å; S29-D42 WeakPolarHBondContact CB-OD2 3.24Å; S29-D42 PolarHBondContact OG-OD1 3.07Å; S29-D42 PolarHBondContact OG-OD2 3.3Å; D42-R61 IonicContact OD1-CZ 3.82Å; D42-R61 IonicContact OD1-NE 3.99Å; D42-R61 PolarHBondContact OD1-NE 3.1Å; D42-R61 VanDerWaalsContact OD1-NE 3.11Å; D42-R61 IonicContact OD1-NH2 3.4Å; D42-R61 PolarHBondContact OD1-NH2 3.07Å; D42-R61 IonicContact OD2-NH2 2.8Å
43C97.9Very high95.8Very high6 Ų646.3 Ų46.34%0.04128%0.276CS..EExtended strand (participates in β ladder)trans-111.5165-177.9-63.50000111.2V25 K59 I60 V62 L131V25-C43 CarbonylContact O-C 3.56Å; V25-C43 WeakPolarHBondContact O-CA 3.17Å; V25-C43 VanDerWaalsContact O-CB 3.29Å; V25-C43 WeakPolarHBondContact O-CB 3.45Å; C43-K59 WeakPolarHBondContact O-CA 3.36Å; C43-I60 CarbonylContact C-O 3.52Å; C43-I60 WeakPolarHBondContact CA-O 3.37Å; C43-I60 HydrophobicContact CB-CG2 3.65Å; C43-I60 WeakPolarHBondContact CB-O 3.4Å; C43-I60 PolarHBondContact N-O 2.79Å; C43-I60 PolarHBondContact O-N 2.78Å; C43-I60 VanDerWaalsContact O-O 3.11Å; C43-V62 HydrophobicContact CB-CG2 4.42Å; C43-L131 HydrophobicContact CB-CD1 4.23Å; C43-L131 HydrophobicContact CB-CD2 4.02Å
44A98.1Very high95.9Very high6 Ų646 Ų465%0.0527%0.27CS..EExtended strand (participates in β ladder)trans-141.5139.9165.600000110.2V25 L57 Y58V25-A44 HydrophobicContact CB-CB 3.94Å; V25-A44 HydrophobicContact CG2-CB 4.22Å; V25-A44 PolarHBondContact N-O 2.73Å; V25-A44 PolarHBondContact O-N 3.4Å; A44-L57 HydrophobicContact CB-CD1 3.68Å; A44-L57 HydrophobicContact CB-CD2 4.31Å; A44-L57 HydrophobicContact CB-CG 3.83Å; A44-Y58 VanDerWaalsContact CA-O 3.3Å; A44-Y58 WeakPolarHBondContact CA-O 3.49Å
45I97.3Very high96.1Very high0 Ų047.6 Ų47.60%029%0.287CS..EExtended strand (participates in β ladder)trans-112.2123-178.9-61.2173000107.5F24 Y58 I60 L131 I134 Q135F24-I45 HydrophobicContact CE1-CG1 4.38Å; F24-I45 HydrophobicContact CE1-CG2 4.01Å; F24-I45 HydrophobicContact CZ-CG2 4.41Å; I45-Y58 PolarHBondContact N-O 3.08Å; I45-Y58 WeakPolarHBondContact O-CD2 3.47Å; I45-Y58 PolarHBondContact O-N 2.96Å; I45-I60 HydrophobicContact CD1-CD1 4.25Å; I45-I60 HydrophobicContact CD1-CG2 3.96Å; I45-I60 HydrophobicContact CG1-CG2 4.07Å; I45-L131 HydrophobicContact CD1-CB 4.35Å; I45-L131 HydrophobicContact CD1-CD2 3.84Å; I45-L131 HydrophobicContact CG1-CB 4.24Å; I45-L131 HydrophobicContact CG1-CD2 3.9Å; I45-I134 HydrophobicContact CD1-CB 3.73Å; I45-I134 HydrophobicContact CD1-CG2 3.45Å; I45-I134 VanDerWaalsContact CD1-CG2 3.45Å; I45-Q135 HydrophobicContact CG2-CB 3.59Å; I45-Q135 HydrophobicContact CG2-CG 3.83Å
46P97.8Very high96.2Very high24 Ų2446.5 Ų46.516%0.15628%0.282CS..EExtended strand (participates in β ladder)trans-69143.617228.4-30.8000109.4F24 G56 L57 Q135F24-P46 HydrophobicContact CD2-CG 3.6Å; F24-P46 HydrophobicContact CE2-CG 3.61Å; F24-P46 HydrophobicContact CG-CG 4.2Å; F24-P46 HydrophobicContact CZ-CG 4.21Å; P46-G56 WeakPolarHBondContact CA-O 3.36Å; P46-L57 HydrophobicContact CB-CD1 4.49Å; P46-Q135 WeakPolarHBondContact O-CG 3.5Å; P46-Q135 PolarHBondContact O-NE2 2.76Å
47G97.2Very high96.3Very high11 Ų1146.8 Ų46.811%0.11328%0.284CS..PPolyproline II helixtrans-61136.2173.800000111.9W53 G56G47-W53 VanDerWaalsContact CA-O 3.3Å; G47-W53 WeakPolarHBondContact CA-O 3.35Å; G47-G56 PolarHBondContact N-O 2.88Å
48P94.7Very high96.4Very high12 Ų1247.5 Ų47.58%0.07829%0.285CS..PPolyproline II helixtrans-64.9143.9178.522.6-29.9000111.4S51 Q135 L138 K139P48-S51 WeakPolarHBondContact CG-OG 3.49Å; P48-S51 WeakPolarHBondContact O-CB 3.45Å; P48-S51 PolarHBondContact O-OG 3.28Å; P48-Q135 HydrophobicContact CB-CG 4.03Å; P48-Q135 HydrophobicContact CG-CG 4.13Å; P48-L138 HydrophobicContact CG-CB 4.47Å; P48-K139 HydrophobicContact CB-CB 4.24Å; P48-K139 HydrophobicContact CB-CD 4.24Å; P48-K139 HydrophobicContact CG-CB 3.72Å
49A94.8Very high96.6Very high57 Ų5752.6 Ų52.647%0.47131%0.306SS..SBendtrans-61.5151.9173.300000111.7S51 E54 K139A49-S51 VanDerWaalsContact C-N 3.31Å; A49-S51 PolarHBondContact O-N 3.04Å; A49-E54 WeakPolarHBondContact CA-OE2 3.45Å; A49-K139 PolarHBondContact O-NZ 2.74Å
50D93.7Very high96.7Very high138 Ų13851.5 Ų51.574%0.73830%0.301SS*.SBendtrans55.246.7-176-48.6-60.2000111.4E54D50-E54 PolarHBondContact N-OE2 2.95Å
51S93.2Very high96.7Very high19 Ų1951 Ų5113%0.13330%0.297CS..SBendtrans-146.3159.7176.584.40000111.6P48 A49 W53 E54P48-S51 WeakPolarHBondContact CG-OG 3.49Å; P48-S51 WeakPolarHBondContact O-CB 3.45Å; P48-S51 PolarHBondContact O-OG 3.28Å; A49-S51 VanDerWaalsContact C-N 3.31Å; A49-S51 PolarHBondContact O-N 3.04Å; S51-W53 PolarHBondContact O-N 3.33Å; S51-W53 WeakPolarHBondContact OG-CB 3.21Å; S51-W53 PolarHBondContact OG-N 3.19Å; S51-W53 VanDerWaalsContact OG-N 3.16Å; S51-E54 VanDerWaalsContact O-CB 3.3Å; S51-E54 WeakPolarHBondContact O-CB 3.42Å; S51-E54 PolarHBondContact O-N 3.38Å
52P92.9Very high96.6Very high127 Ų12751 Ų5183%0.82530%0.297SS*.THydrogen-bonded Turntrans-59.8-12172.8-24.335000114.6
53W95.8Very high96.5Very high41 Ų4151.8 Ų51.816%0.15530%0.299CS..THydrogen-bonded Turntrans-91.7-11.9179.4-53.293.6000112.5G47 S51 G56 Y58 L81 H83 L138G47-W53 VanDerWaalsContact CA-O 3.3Å; G47-W53 WeakPolarHBondContact CA-O 3.35Å; S51-W53 PolarHBondContact O-N 3.33Å; S51-W53 WeakPolarHBondContact OG-CB 3.21Å; S51-W53 PolarHBondContact OG-N 3.19Å; S51-W53 VanDerWaalsContact OG-N 3.16Å; W53-G56 PolarHBondContact O-N 2.96Å; W53-Y58 VanDerWaalsContact CA-OH 3.24Å; W53-Y58 WeakPolarHBondContact CA-OH 3.24Å; W53-Y58 HydrophobicContact CB-CE2 3.89Å; W53-Y58 HydrophobicContact CE3-CD1 4.41Å; W53-Y58 AromaticContact CE3-CE1 3.7Å; W53-Y58 HydrophobicContact CE3-CE1 3.7Å; W53-Y58 HydrophobicContact CE3-CE2 4.05Å; W53-Y58 AromaticContact CE3-CZ 3.5Å; W53-Y58 HydrophobicContact CZ3-CE1 4.11Å; W53-Y58 PolarHBondContact O-OH 2.84Å; W53-L81 HydrophobicContact CH2-CB 4.4Å; W53-L81 HydrophobicContact CZ3-CB 4.34Å; W53-L81 HydrophobicContact CZ3-CD1 3.92Å; W53-L81 HydrophobicContact CZ3-CG 4.49Å; W53-H83 HydrophobicContact CH2-CB 4.2Å; W53-H83 HydrophobicContact CZ2-CB 4.36Å; W53-H83 AromaticContact CZ2-CD2 3.6Å; W53-L138 VanDerWaalsContact CD1-O 3.23Å; W53-L138 HydrophobicContact CD2-CB 4.15Å; W53-L138 HydrophobicContact CD2-CD2 4.22Å; W53-L138 HydrophobicContact CE3-CD2 4.22Å; W53-L138 HydrophobicContact CG-CB 4.01Å; W53-L138 HydrophobicContact CH2-CD2 4.41Å; W53-L138 HydrophobicContact CZ2-CD2 4.37Å; W53-L138 HydrophobicContact CZ3-CD2 4.32Å; W53-L138 PolarHBondContact NE1-O 3.29Å
54E97.1Very high96.2Very high119 Ų11952.1 Ų52.156%0.55630%0.3SS*.THydrogen-bonded Turntrans-53.5140.4-176.6-172.3174.316000112.2A49 D50 S51 G56A49-E54 WeakPolarHBondContact CA-OE2 3.45Å; D50-E54 PolarHBondContact N-OE2 2.95Å; S51-E54 VanDerWaalsContact O-CB 3.3Å; S51-E54 WeakPolarHBondContact O-CB 3.42Å; S51-E54 PolarHBondContact O-N 3.38Å; E54-G56 PolarHBondContact O-N 3.03Å
55G96.8Very high95.8Very high82 Ų8253.7 Ų53.785%0.84531%0.31SS*.THydrogen-bonded Turntrans78.3-11.4-17500000114.6
56G97.3Very high95.5Very high21 Ų2160.4 Ų60.422%0.21634%0.341CS..  trans-78.7155.5173.900000113.8P46 G47 W53 E54P46-G56 WeakPolarHBondContact CA-O 3.36Å; G47-G56 PolarHBondContact N-O 2.88Å; W53-G56 PolarHBondContact O-N 2.96Å; E54-G56 PolarHBondContact O-N 3.03Å
57L97.9Very high94.8Very high101 Ų10163.7 Ų63.753%0.52936%0.357SS..EExtended strand (participates in β ladder)trans-130.3107.2170.7-174.964.6000109.7G23 A44 P46G23-L57 WeakPolarHBondContact O-CD1 3.48Å; A44-L57 HydrophobicContact CB-CD1 3.68Å; A44-L57 HydrophobicContact CB-CD2 4.31Å; A44-L57 HydrophobicContact CB-CG 3.83Å; P46-L57 HydrophobicContact CB-CD1 4.49Å
58Y98.2Very high93.9Very high41 Ų4163.6 Ų63.616%0.16135%0.353CS..EExtended strand (participates in β ladder)trans-101110.5-166.6-55.1-75.3000111.1A44 I45 W53 L81 L138A44-Y58 VanDerWaalsContact CA-O 3.3Å; A44-Y58 WeakPolarHBondContact CA-O 3.49Å; I45-Y58 PolarHBondContact N-O 3.08Å; I45-Y58 WeakPolarHBondContact O-CD2 3.47Å; I45-Y58 PolarHBondContact O-N 2.96Å; W53-Y58 VanDerWaalsContact CA-OH 3.24Å; W53-Y58 WeakPolarHBondContact CA-OH 3.24Å; W53-Y58 HydrophobicContact CB-CE2 3.89Å; W53-Y58 HydrophobicContact CE3-CD1 4.41Å; W53-Y58 AromaticContact CE3-CE1 3.7Å; W53-Y58 HydrophobicContact CE3-CE1 3.7Å; W53-Y58 HydrophobicContact CE3-CE2 4.05Å; W53-Y58 AromaticContact CE3-CZ 3.5Å; W53-Y58 HydrophobicContact CZ3-CE1 4.11Å; W53-Y58 PolarHBondContact O-OH 2.84Å; Y58-L81 HydrophobicContact CD1-CD1 3.9Å; Y58-L81 HydrophobicContact CD1-CD2 3.81Å; Y58-L81 HydrophobicContact CE1-CD2 4.41Å; Y58-L81 HydrophobicContact CG-CD1 4.13Å; Y58-L138 HydrophobicContact CD2-CD1 3.95Å; Y58-L138 HydrophobicContact CE2-CD1 4.38Å
59K98.3Very high93Very high148 Ų14864.8 Ų64.864%0.64336%0.361SS*.EExtended strand (participates in β ladder)trans-70.8128.9179.2-67.7178.6-176174.40110.8C43 F77 K78C43-K59 WeakPolarHBondContact O-CA 3.36Å; K59-F77 WeakPolarHBondContact O-CA 3.29Å; K59-F77 WeakPolarHBondContact O-CD1 3.45Å; K59-K78 WeakPolarHBondContact CB-O 3.34Å; K59-K78 PolarHBondContact O-N 3.26Å
60I97.9Very high92.2Very high4 Ų466.5 Ų66.52%0.02138%0.376CS..EExtended strand (participates in β ladder)trans-137134.7-178.9-166.3170.4000109.9C43 I45 C75 T76 F77 V92 L131 I134C43-I60 CarbonylContact C-O 3.52Å; C43-I60 WeakPolarHBondContact CA-O 3.37Å; C43-I60 HydrophobicContact CB-CG2 3.65Å; C43-I60 WeakPolarHBondContact CB-O 3.4Å; C43-I60 PolarHBondContact N-O 2.79Å; C43-I60 PolarHBondContact O-N 2.78Å; C43-I60 VanDerWaalsContact O-O 3.11Å; I45-I60 HydrophobicContact CD1-CD1 4.25Å; I45-I60 HydrophobicContact CD1-CG2 3.96Å; I45-I60 HydrophobicContact CG1-CG2 4.07Å; I60-C75 HydrophobicContact CD1-CB 3.8Å; I60-C75 HydrophobicContact CG1-CB 4.31Å; I60-T76 CarbonylContact C-O 3.6Å; I60-T76 WeakPolarHBondContact CA-O 3.3Å; I60-F77 HydrophobicContact CB-CD1 3.92Å; I60-F77 HydrophobicContact CB-CE1 4.03Å; I60-F77 HydrophobicContact CD1-CD1 4.19Å; I60-F77 HydrophobicContact CD1-CD2 4.35Å; I60-F77 HydrophobicContact CD1-CE1 3.93Å; I60-F77 HydrophobicContact CD1-CE2 4.13Å; I60-F77 HydrophobicContact CD1-CG 4.39Å; I60-F77 HydrophobicContact CD1-CZ 3.92Å; I60-F77 HydrophobicContact CG1-CD1 4.13Å; I60-F77 HydrophobicContact CG1-CE1 4.29Å; I60-F77 HydrophobicContact CG1-CG 4.38Å; I60-V92 HydrophobicContact CD1-CG2 4Å; I60-L131 HydrophobicContact CG2-CD2 3.93Å; I60-I134 HydrophobicContact CD1-CD1 3.73Å; I60-I134 HydrophobicContact CD1-CG2 4.16Å
61R97.5Very high91.3Very high68 Ų6861.1 Ų61.126%0.25735%0.35SS..EExtended strand (participates in β ladder)trans-94.1130.3171.7-178.5161.5-66.31660.3109.7W41 D42 E63 C75 T76 K78W41-R61 WeakPolarHBondContact O-CA 3.5Å; D42-R61 IonicContact OD1-CZ 3.82Å; D42-R61 IonicContact OD1-NE 3.99Å; D42-R61 PolarHBondContact OD1-NE 3.1Å; D42-R61 VanDerWaalsContact OD1-NE 3.11Å; D42-R61 IonicContact OD1-NH2 3.4Å; D42-R61 PolarHBondContact OD1-NH2 3.07Å; D42-R61 IonicContact OD2-NH2 2.8Å; R61-E63 WeakPolarHBondContact CD-OE1 3.39Å; R61-E63 HydrophobicContact CG-CG 3.78Å; R61-C75 CarbonylContact O-C 3.55Å; R61-C75 WeakPolarHBondContact O-CA 3.49Å; R61-T76 PolarHBondContact N-O 3.1Å; R61-T76 PolarHBondContact O-N 2.87Å; R61-K78 VanDerWaalsContact NH1-NZ 3.15Å
62V95.7Very high90.7Very high0 Ų062.6 Ų62.60%036%0.359CS..EExtended strand (participates in β ladder)trans-111.9119.1174.8-173.70000108.3K40 W41 C43 F64 P73 T74 L127 L131K40-V62 CarbonylContact C-O 3.31Å; K40-V62 WeakPolarHBondContact CA-O 3.4Å; W41-V62 HydrophobicContact CB-CB 4.29Å; W41-V62 PolarHBondContact N-O 2.86Å; W41-V62 PolarHBondContact O-N 3.34Å; C43-V62 HydrophobicContact CB-CG2 4.42Å; V62-F64 HydrophobicContact CB-CE2 4.41Å; V62-F64 HydrophobicContact CG1-CD2 4.32Å; V62-F64 HydrophobicContact CG1-CE1 4.45Å; V62-F64 HydrophobicContact CG1-CE2 3.68Å; V62-F64 HydrophobicContact CG1-CZ 3.76Å; V62-P73 HydrophobicContact CG1-CB 3.64Å; V62-P73 HydrophobicContact CG1-CG 4.17Å; V62-T74 WeakPolarHBondContact CA-O 3.49Å; V62-L127 HydrophobicContact CB-CD1 4.41Å; V62-L127 HydrophobicContact CG1-CD1 4.11Å; V62-L127 HydrophobicContact CG2-CD1 4.15Å; V62-L131 HydrophobicContact CG2-CD2 4.24Å
63E95.7Very high90.6Very high62 Ų6257.1 Ų57.129%0.2932%0.324SS..EExtended strand (participates in β ladder)trans-116.1119.2-179.3-53.5-168.3-152.500109.4F39 K40 R61 P73 T74F39-E63 CarbonylContact O-C 3.6Å; F39-E63 WeakPolarHBondContact O-CA 3.4Å; K40-E63 HydrophobicContact CD-CG 4.44Å; K40-E63 VanDerWaalsContact CE-OE2 3.32Å; K40-E63 WeakPolarHBondContact CE-OE2 3.44Å; K40-E63 HydrophobicContact CG-CB 4.45Å; K40-E63 HydrophobicContact CG-CG 4.07Å; K40-E63 IonicContact NZ-OE2 3.11Å; R61-E63 WeakPolarHBondContact CD-OE1 3.39Å; R61-E63 HydrophobicContact CG-CG 3.78Å; E63-P73 CarbonylContact O-C 3.48Å; E63-P73 VanDerWaalsContact O-CA 3.24Å; E63-P73 WeakPolarHBondContact O-CA 3.39Å; E63-T74 PolarHBondContact N-O 2.97Å; E63-T74 PolarHBondContact O-N 2.95Å
64F92Very high90.4Very high14 Ų1458.4 Ų58.46%0.06134%0.336CS..  trans-93.1135.5-179.2-65.6-88.7000110.1L9 F39 W41 V62 Y68 P73 L127L9-F64 HydrophobicContact CD1-CB 3.96Å; L9-F64 HydrophobicContact CD1-CD2 4.3Å; L9-F64 HydrophobicContact CD1-CG 4.1Å; L9-F64 HydrophobicContact CD2-CB 4.29Å; L9-F64 HydrophobicContact CD2-CD1 3.62Å; L9-F64 HydrophobicContact CD2-CD2 3.56Å; L9-F64 HydrophobicContact CD2-CE1 3.69Å; L9-F64 HydrophobicContact CD2-CE2 3.64Å; L9-F64 HydrophobicContact CD2-CG 3.55Å; L9-F64 HydrophobicContact CD2-CZ 3.7Å; L9-F64 HydrophobicContact CG-CG 4.45Å; F39-F64 HydrophobicContact CD1-CB 4.12Å; F39-F64 WeakPolarHBondContact CD1-O 3.05Å; F39-F64 PolarHBondContact O-N 2.85Å; W41-F64 AromaticContact CD1-CD2 3.76Å; W41-F64 AromaticContact CD1-CE2 3.49Å; W41-F64 VanDerWaalsContact CD1-CE2 3.49Å; W41-F64 HydrophobicContact CG-CE2 4.07Å; W41-F64 AromaticContact NE1-CD2 3.91Å; W41-F64 AromaticContact NE1-CE2 3.61Å; V62-F64 HydrophobicContact CB-CE2 4.41Å; V62-F64 HydrophobicContact CG1-CD2 4.32Å; V62-F64 HydrophobicContact CG1-CE1 4.45Å; V62-F64 HydrophobicContact CG1-CE2 3.68Å; V62-F64 HydrophobicContact CG1-CZ 3.76Å; F64-Y68 HydrophobicContact CB-CG 4.46Å; F64-Y68 HydrophobicContact CD1-CD1 4.01Å; F64-Y68 AromaticContact CD1-CD2 3.61Å; F64-Y68 HydrophobicContact CD1-CD2 3.61Å; F64-Y68 HydrophobicContact CD1-CE1 4.01Å; F64-Y68 AromaticContact CD1-CE2 3.69Å; F64-Y68 HydrophobicContact CD1-CE2 3.69Å; F64-Y68 AromaticContact CD1-CG 3.82Å; F64-Y68 HydrophobicContact CD1-CG 3.82Å; F64-Y68 AromaticContact CD1-CZ 3.89Å; F64-Y68 HydrophobicContact CE1-CD2 4.18Å; F64-Y68 HydrophobicContact CE1-CE1 4.15Å; F64-Y68 AromaticContact CE1-CE2 3.76Å; F64-Y68 HydrophobicContact CE1-CE2 3.76Å; F64-Y68 AromaticContact CE1-CZ 3.74Å; F64-P73 HydrophobicContact CD1-CB 3.72Å; F64-P73 HydrophobicContact CD1-CG 4.24Å; F64-P73 HydrophobicContact CE1-CB 3.81Å; F64-P73 HydrophobicContact CE1-CG 3.94Å; F64-P73 HydrophobicContact CG-CB 4.23Å; F64-P73 HydrophobicContact CZ-CB 4.37Å; F64-L127 HydrophobicContact CZ-CD1 4.18Å
65P89.5Confident90.2Very high39 Ų3952.8 Ų52.825%0.25331%0.31SS..  trans-76.3160.2173.733.3-35.9000111.4N67 Y68 A71P65-N67 WeakPolarHBondContact CB-OD1 3.37Å; P65-N67 WeakPolarHBondContact CG-OD1 3.32Å; P65-N67 PolarHBondContact O-N 2.68Å; P65-Y68 WeakPolarHBondContact O-CB 3.43Å; P65-Y68 PolarHBondContact O-N 2.88Å; P65-A71 HydrophobicContact CG-CB 3.73Å
66E91.6Very high90.2Very high140 Ų14049.6 Ų49.665%0.65427%0.274SS*.THydrogen-bonded Turntrans-61.2-27.4178.9-70.1-65.1160.400113.4A5 F39 Y68A5-E66 WeakPolarHBondContact CB-O 3.2Å; F39-E66 WeakPolarHBondContact CZ-OE2 3.44Å; E66-Y68 VanDerWaalsContact C-N 3.32Å
67N82.7Confident90.3Very high94 Ų9448.7 Ų48.750%0.50326%0.264SS..THydrogen-bonded Turntrans-90.413.4176.168.2-21.6000113.2P65 A70 A71P65-N67 WeakPolarHBondContact CB-OD1 3.37Å; P65-N67 WeakPolarHBondContact CG-OD1 3.32Å; P65-N67 PolarHBondContact O-N 2.68Å; N67-A70 WeakPolarHBondContact O-CA 3.48Å; N67-A70 WeakPolarHBondContact O-CB 3.33Å; N67-A70 PolarHBondContact O-N 2.95Å; N67-A71 WeakPolarHBondContact OD1-CB 3.45Å
68Y78.5Confident90.2Very high8 Ų848.5 Ų48.53%0.03126%0.259CS..THydrogen-bonded Turntrans-57.4136.1170.2178.2-106.4000110.3A5 R8 L9 F64 P65 E66 V124A5-Y68 VanDerWaalsContact CA-O 3.24Å; A5-Y68 WeakPolarHBondContact CA-O 3.38Å; A5-Y68 WeakPolarHBondContact CB-O 3.44Å; R8-Y68 HydrophobicContact CB-CE1 4.14Å; R8-Y68 HydrophobicContact CG-CD1 4.25Å; R8-Y68 HydrophobicContact CG-CE1 3.45Å; R8-Y68 VanDerWaalsContact CG-CE1 3.45Å; L9-Y68 HydrophobicContact CD1-CD1 4.38Å; L9-Y68 HydrophobicContact CD2-CD1 3.92Å; L9-Y68 HydrophobicContact CD2-CE1 3.59Å; L9-Y68 HydrophobicContact CG-CD1 3.92Å; L9-Y68 HydrophobicContact CG-CE1 3.94Å; F64-Y68 HydrophobicContact CB-CG 4.46Å; F64-Y68 HydrophobicContact CD1-CD1 4.01Å; F64-Y68 AromaticContact CD1-CD2 3.61Å; F64-Y68 HydrophobicContact CD1-CD2 3.61Å; F64-Y68 HydrophobicContact CD1-CE1 4.01Å; F64-Y68 AromaticContact CD1-CE2 3.69Å; F64-Y68 HydrophobicContact CD1-CE2 3.69Å; F64-Y68 AromaticContact CD1-CG 3.82Å; F64-Y68 HydrophobicContact CD1-CG 3.82Å; F64-Y68 AromaticContact CD1-CZ 3.89Å; F64-Y68 HydrophobicContact CE1-CD2 4.18Å; F64-Y68 HydrophobicContact CE1-CE1 4.15Å; F64-Y68 AromaticContact CE1-CE2 3.76Å; F64-Y68 HydrophobicContact CE1-CE2 3.76Å; F64-Y68 AromaticContact CE1-CZ 3.74Å; P65-Y68 WeakPolarHBondContact O-CB 3.43Å; P65-Y68 PolarHBondContact O-N 2.88Å; E66-Y68 VanDerWaalsContact C-N 3.32Å; Y68-V124 HydrophobicContact CE2-CG1 4.36Å
69P77.2Confident90.1Very high38 Ų3851.4 Ų51.425%0.24728%0.283CS..THydrogen-bonded Turncis-91.2108.436.8-36.8000116.8A71 V124P69-A71 VanDerWaalsContact C-N 3.29Å; P69-A71 PolarHBondContact O-N 3.2Å; P69-V124 HydrophobicContact CB-CB 4.19Å; P69-V124 HydrophobicContact CB-CG1 3.54Å; P69-V124 HydrophobicContact CB-CG2 3.78Å; P69-V124 HydrophobicContact CG-CG2 4.19Å
70A76.8Confident90Very high93 Ų9347.6 Ų47.677%0.76927%0.273SS*.SBendtrans-67.2-29.7179.700000113N67N67-A70 WeakPolarHBondContact O-CA 3.48Å; N67-A70 WeakPolarHBondContact O-CB 3.33Å; N67-A70 PolarHBondContact O-N 2.95Å
71A75.9Confident89.9Confident24 Ų2448.8 Ų48.820%0.19828%0.28CS..SBendtrans-116.5145.8170.400000111.1P65 N67 P69P65-A71 HydrophobicContact CG-CB 3.73Å; N67-A71 WeakPolarHBondContact OD1-CB 3.45Å; P69-A71 VanDerWaalsContact C-N 3.29Å; P69-A71 PolarHBondContact O-N 3.2Å
72P80.1Confident89.8Confident51 Ų5151.2 Ų51.233%0.33129%0.292SS..PPolyproline II helixtrans-73158.5-177.630.8-35.5000112
73P89.9Confident89.7Confident12 Ų1251.4 Ų51.48%0.07829%0.293CS..PPolyproline II helixtrans-68.1156.1169.529.6-34.2000112V62 E63 F64 L94V62-P73 HydrophobicContact CG1-CB 3.64Å; V62-P73 HydrophobicContact CG1-CG 4.17Å; E63-P73 CarbonylContact O-C 3.48Å; E63-P73 VanDerWaalsContact O-CA 3.24Å; E63-P73 WeakPolarHBondContact O-CA 3.39Å; F64-P73 HydrophobicContact CD1-CB 3.72Å; F64-P73 HydrophobicContact CD1-CG 4.24Å; F64-P73 HydrophobicContact CE1-CB 3.81Å; F64-P73 HydrophobicContact CE1-CG 3.94Å; F64-P73 HydrophobicContact CG-CB 4.23Å; F64-P73 HydrophobicContact CZ-CB 4.37Å; P73-L94 WeakPolarHBondContact O-CD1 3.5Å
74T91.3Very high89.5Confident68 Ų6848.6 Ų48.642%0.41728%0.28SS..EExtended strand (participates in β ladder)trans-93.3130.3165-63.40000109.7V62 E63V62-T74 WeakPolarHBondContact CA-O 3.49Å; E63-T74 PolarHBondContact N-O 2.97Å; E63-T74 PolarHBondContact O-N 2.95Å
75C94.3Very high89.5Confident1 Ų148 Ų481%0.00728%0.278CS..EExtended strand (participates in β ladder)trans-111.5129.8177.6-58.50000110.6I60 R61 K91 V92 L94 I134I60-C75 HydrophobicContact CD1-CB 3.8Å; I60-C75 HydrophobicContact CG1-CB 4.31Å; R61-C75 CarbonylContact O-C 3.55Å; R61-C75 WeakPolarHBondContact O-CA 3.49Å; C75-K91 WeakPolarHBondContact O-CA 3.36Å; C75-V92 HydrophobicContact CB-CB 4.3Å; C75-V92 HydrophobicContact CB-CG2 4.17Å; C75-V92 PolarHBondContact O-N 2.78Å; C75-L94 HydrophobicContact CB-CD1 4.13Å; C75-I134 HydrophobicContact CB-CD1 3.78Å
76T96.9Very high89.7Confident14 Ų1446.3 Ų46.39%0.08627%0.266CS..EExtended strand (participates in β ladder)trans-136.6116.2-175.5-54.70000111.3I60 R61 K78 G90 K91I60-T76 CarbonylContact C-O 3.6Å; I60-T76 WeakPolarHBondContact CA-O 3.3Å; R61-T76 PolarHBondContact N-O 3.1Å; R61-T76 PolarHBondContact O-N 2.87Å; T76-K78 HydrophobicContact CG2-CG 4.5Å; T76-G90 CarbonylContact C-O 3.58Å; T76-G90 WeakPolarHBondContact CA-O 3.41Å; T76-K91 HydrophobicContact CG2-CG 4.36Å
77F97.9Very high89.7Confident3 Ų343.6 Ų43.61%0.01325%0.253CS..EExtended strand (participates in β ladder)trans-66.9137.5172.4-75.7-70.9000111.4K59 I60 P79 L81 V86 G90 V92 I134 L138K59-F77 WeakPolarHBondContact O-CA 3.29Å; K59-F77 WeakPolarHBondContact O-CD1 3.45Å; I60-F77 HydrophobicContact CB-CD1 3.92Å; I60-F77 HydrophobicContact CB-CE1 4.03Å; I60-F77 HydrophobicContact CD1-CD1 4.19Å; I60-F77 HydrophobicContact CD1-CD2 4.35Å; I60-F77 HydrophobicContact CD1-CE1 3.93Å; I60-F77 HydrophobicContact CD1-CE2 4.13Å; I60-F77 HydrophobicContact CD1-CG 4.39Å; I60-F77 HydrophobicContact CD1-CZ 3.92Å; I60-F77 HydrophobicContact CG1-CD1 4.13Å; I60-F77 HydrophobicContact CG1-CE1 4.29Å; I60-F77 HydrophobicContact CG1-CG 4.38Å; F77-P79 CarbonylContact C-O 3.54Å; F77-P79 VanDerWaalsContact C-O 3.31Å; F77-P79 WeakPolarHBondContact CB-O 3.4Å; F77-P79 CarbonylContact O-C 3.58Å; F77-L81 HydrophobicContact CB-CG 4Å; F77-L81 HydrophobicContact CD1-CD1 3.58Å; F77-L81 HydrophobicContact CD1-CG 3.91Å; F77-L81 HydrophobicContact CD2-CD1 3.9Å; F77-L81 HydrophobicContact CD2-CG 4.07Å; F77-L81 HydrophobicContact CE1-CD1 3.55Å; F77-L81 HydrophobicContact CE1-CG 4.38Å; F77-L81 HydrophobicContact CE2-CD1 3.85Å; F77-L81 HydrophobicContact CG-CD1 3.76Å; F77-L81 HydrophobicContact CG-CG 3.74Å; F77-L81 HydrophobicContact CZ-CD1 3.67Å; F77-V86 HydrophobicContact CD2-CG1 4.14Å; F77-V86 HydrophobicContact CD2-CG2 3.68Å; F77-V86 HydrophobicContact CE2-CG2 3.78Å; F77-G90 PolarHBondContact N-O 2.8Å; F77-V92 HydrophobicContact CD2-CG2 3.68Å; F77-V92 HydrophobicContact CE2-CG2 3.55Å; F77-I134 HydrophobicContact CE2-CG2 4.04Å; F77-I134 HydrophobicContact CZ-CG2 3.6Å; F77-L138 HydrophobicContact CZ-CD2 4.18Å
78K95.9Very high90.2Very high97 Ų9744.5 Ų44.542%0.42226%0.264SS..SBendtrans-136.2105.3176.3-67.6-168.3-179.5-174.50110.1K59 R61 T76K59-K78 WeakPolarHBondContact CB-O 3.34Å; K59-K78 PolarHBondContact O-N 3.26Å; R61-K78 VanDerWaalsContact NH1-NZ 3.15Å; T76-K78 HydrophobicContact CG2-CG 4.5Å
79P97Very high90.9Very high102 Ų10247.6 Ų47.666%0.66229%0.287SS*.SBendcis-69.1163.30.831.2-36.7000113.1F77F77-P79 CarbonylContact C-O 3.54Å; F77-P79 VanDerWaalsContact C-O 3.31Å; F77-P79 WeakPolarHBondContact CB-O 3.4Å; F77-P79 CarbonylContact O-C 3.58Å
80P96.7Very high91.8Very high67 Ų6745.8 Ų45.844%0.43528%0.275SS..PPolyproline II helixtrans-54.1140.9171.1-25.935.5000112.1P88P80-P88 WeakPolarHBondContact CG-O 3.43Å
81L95.7Very high92.6Very high30 Ų3046.5 Ų46.516%0.15726%0.261CS..PPolyproline II helixtrans-94.9143.6174.9-58.4-175.4000110.6W53 Y58 F77 H83 L138W53-L81 HydrophobicContact CH2-CB 4.4Å; W53-L81 HydrophobicContact CZ3-CB 4.34Å; W53-L81 HydrophobicContact CZ3-CD1 3.92Å; W53-L81 HydrophobicContact CZ3-CG 4.49Å; Y58-L81 HydrophobicContact CD1-CD1 3.9Å; Y58-L81 HydrophobicContact CD1-CD2 3.81Å; Y58-L81 HydrophobicContact CE1-CD2 4.41Å; Y58-L81 HydrophobicContact CG-CD1 4.13Å; F77-L81 HydrophobicContact CB-CG 4Å; F77-L81 HydrophobicContact CD1-CD1 3.58Å; F77-L81 HydrophobicContact CD1-CG 3.91Å; F77-L81 HydrophobicContact CD2-CD1 3.9Å; F77-L81 HydrophobicContact CD2-CG 4.07Å; F77-L81 HydrophobicContact CE1-CD1 3.55Å; F77-L81 HydrophobicContact CE1-CG 4.38Å; F77-L81 HydrophobicContact CE2-CD1 3.85Å; F77-L81 HydrophobicContact CG-CD1 3.76Å; F77-L81 HydrophobicContact CG-CG 3.74Å; F77-L81 HydrophobicContact CZ-CD1 3.67Å; L81-H83 HydrophobicContact CB-CB 4.41Å; L81-H83 PolarHBondContact O-N 3.33Å; L81-L138 HydrophobicContact CD1-CD2 3.92Å
82F94.9Very high93.3Very high119 Ų11945.9 Ų45.952%0.52225%0.254SS..  trans-77.590.3168.4-174.5-104.4000109K150 A151 A154F82-K150 HydrophobicContact CE2-CB 4.46Å; F82-K150 HydrophobicContact CE2-CD 4.15Å; F82-K150 HydrophobicContact CE2-CG 4Å; F82-K150 HydrophobicContact CZ-CG 4.09Å; F82-A151 HydrophobicContact CD1-CB 4.24Å; F82-A151 HydrophobicContact CD2-CB 4.13Å; F82-A151 HydrophobicContact CE1-CB 4.01Å; F82-A151 HydrophobicContact CE2-CB 3.87Å; F82-A151 HydrophobicContact CG-CB 4.32Å; F82-A151 VanDerWaalsContact CZ-CA 3.43Å; F82-A151 HydrophobicContact CZ-CB 3.83Å; F82-A154 HydrophobicContact CE1-CB 3.86Å; F82-A154 HydrophobicContact CZ-CB 4.08Å
83H93.9Very high93.5Very high3 Ų344.2 Ų44.21%0.01424%0.244CC..  trans-145.4141.5-174-178-86.9000110.4W53 L81 N85 V86 L137 A151W53-H83 HydrophobicContact CH2-CB 4.2Å; W53-H83 HydrophobicContact CZ2-CB 4.36Å; W53-H83 AromaticContact CZ2-CD2 3.6Å; L81-H83 HydrophobicContact CB-CB 4.41Å; L81-H83 PolarHBondContact O-N 3.33Å; H83-N85 PolarHBondContact CE1-OD1 3.01Å; H83-N85 PolarHBondContact ND1-N 3.1Å; H83-N85 PolarHBondContact O-N 2.9Å; H83-N85 VanDerWaalsContact O-N 3.08Å; H83-V86 HydrophobicContact CB-CB 4.01Å; H83-V86 HydrophobicContact CB-CG2 3.77Å; H83-V86 PolarHBondContact O-N 3.42Å; H83-L137 PolarHBondContact CE1-O 3.36Å; H83-L137 PolarHBondContact NE2-O 3.48Å; H83-A151 VanDerWaalsContact C-CB 3.4Å
84P91.6Very high92.3Very high4 Ų444.5 Ų44.53%0.02625%0.245CC..THydrogen-bonded Turntrans-53.5-33.6-176.9-28.835.8000114.1P141 T143 P146 A147 S148 A151 F155P84-P141 HydrophobicContact CB-CB 3.91Å; P84-P141 HydrophobicContact CG-CB 3.63Å; P84-P141 HydrophobicContact CG-CG 4.09Å; P84-T143 HydrophobicContact CB-CG2 4.49Å; P84-T143 HydrophobicContact CG-CG2 4.48Å; P84-P146 HydrophobicContact CB-CB 4.31Å; P84-P146 CarbonylContact O-C 3.43Å; P84-P146 WeakPolarHBondContact O-CA 3.3Å; P84-A147 WeakPolarHBondContact O-CA 3.04Å; P84-A147 PolarHBondContact O-N 2.67Å; P84-S148 PolarHBondContact O-N 3.02Å; P84-A151 HydrophobicContact CG-CB 4.35Å; P84-F155 HydrophobicContact CG-CB 4.08Å; P84-F155 HydrophobicContact CG-CG 4.41Å
85N91Very high90.6Very high1 Ų143.8 Ų43.81%0.00524%0.242CC..THydrogen-bonded Turntrans-10417.3-178.8-50.5107.8000114.8H83 C93 L137 P141 N142H83-N85 PolarHBondContact CE1-OD1 3.01Å; H83-N85 PolarHBondContact ND1-N 3.1Å; H83-N85 PolarHBondContact O-N 2.9Å; H83-N85 VanDerWaalsContact O-N 3.08Å; N85-C93 PolarHBondContact O-N 3.4Å; N85-L137 HydrophobicContact CB-CD1 4.22Å; N85-L137 HydrophobicContact CB-CD2 3.64Å; N85-L137 HydrophobicContact CB-CG 4.1Å; N85-L137 WeakPolarHBondContact OD1-CD1 3.36Å; N85-P141 WeakPolarHBondContact OD1-CA 3.35Å; N85-N142 PolarHBondContact ND2-O 3.42Å; N85-N142 PolarHBondContact OD1-N 3.4Å; N85-N142 PolarHBondContact OD1-O 3.44Å
86V93Very high88.3Confident3 Ų344 Ų442%0.01824%0.243CC..BIsolated β-bridgetrans-115.7121.4173.5178.90000108.4F77 H83 V92F77-V86 HydrophobicContact CD2-CG1 4.14Å; F77-V86 HydrophobicContact CD2-CG2 3.68Å; F77-V86 HydrophobicContact CE2-CG2 3.78Å; H83-V86 HydrophobicContact CB-CB 4.01Å; H83-V86 HydrophobicContact CB-CG2 3.77Å; H83-V86 PolarHBondContact O-N 3.42Å; V86-V92 HydrophobicContact CG2-CG2 4.47Å
87F92.4Very high86Confident84 Ų8445 Ų4537%0.36825%0.248SC..  trans-64.4157.6174.4-70.3-77.9000110.4S89 G90 K91 C93 A147F87-S89 PolarHBondContact O-N 2.99Å; F87-G90 WeakPolarHBondContact O-CA 2.97Å; F87-G90 PolarHBondContact O-N 3.38Å; F87-K91 HydrophobicContact CB-CB 4.41Å; F87-K91 HydrophobicContact CD2-CB 4.03Å; F87-K91 WeakPolarHBondContact CD2-O 3.14Å; F87-K91 PolarHBondContact N-O 3.09Å; F87-C93 HydrophobicContact CD2-CB 4.38Å; F87-C93 HydrophobicContact CE2-CB 3.66Å; F87-C93 HydrophobicContact CZ-CB 4.18Å; F87-A147 HydrophobicContact CD1-CB 3.86Å; F87-A147 HydrophobicContact CD2-CB 4.07Å; F87-A147 HydrophobicContact CE1-CB 3.82Å; F87-A147 HydrophobicContact CE2-CB 4.03Å; F87-A147 HydrophobicContact CG-CB 3.98Å; F87-A147 HydrophobicContact CZ-CB 3.9Å
88P92.5Very high83.6Confident112 Ų11249.2 Ų49.273%0.72727%0.267SS*.THydrogen-bonded Turntrans-54.5-23.9173.6-27.635.6000114.4P80 G90P80-P88 WeakPolarHBondContact CG-O 3.43Å; P88-G90 PolarHBondContact O-N 2.99Å
89S94.3Very high80.9Confident74 Ų7449.4 Ų49.452%0.51728%0.279SS..THydrogen-bonded Turntrans-71.6-8.6173.461.20000114.6F87 K91F87-S89 PolarHBondContact O-N 2.99Å; S89-K91 VanDerWaalsContact C-N 3.27Å; S89-K91 PolarHBondContact OG-N 2.84Å
90G95.9Very high78.4Confident0 Ų053.7 Ų53.70%029%0.29CS..SBendtrans85.8-10-17100000113.8T76 F77 F87 P88 V92T76-G90 CarbonylContact C-O 3.58Å; T76-G90 WeakPolarHBondContact CA-O 3.41Å; F77-G90 PolarHBondContact N-O 2.8Å; F87-G90 WeakPolarHBondContact O-CA 2.97Å; F87-G90 PolarHBondContact O-N 3.38Å; P88-G90 PolarHBondContact O-N 2.99Å; G90-V92 PolarHBondContact O-N 3.45Å
91K94Very high75.8Confident108 Ų10852 Ų5247%0.4728%0.284SS..BIsolated β-bridgetrans-60.7131.3177.1-72.8-176.8173.4-177.80109.9C75 T76 F87 S89C75-K91 WeakPolarHBondContact O-CA 3.36Å; T76-K91 HydrophobicContact CG2-CG 4.36Å; F87-K91 HydrophobicContact CB-CB 4.41Å; F87-K91 HydrophobicContact CD2-CB 4.03Å; F87-K91 WeakPolarHBondContact CD2-O 3.14Å; F87-K91 PolarHBondContact N-O 3.09Å; S89-K91 VanDerWaalsContact C-N 3.27Å; S89-K91 PolarHBondContact OG-N 2.84Å
92V91Very high72.6Confident10 Ų1061.5 Ų61.56%0.06132%0.318CS..BIsolated β-bridgetrans-77.3130.3171.2-176.30000107.8I60 C75 F77 V86 G90 L94 I134 L137I60-V92 HydrophobicContact CD1-CG2 4Å; C75-V92 HydrophobicContact CB-CB 4.3Å; C75-V92 HydrophobicContact CB-CG2 4.17Å; C75-V92 PolarHBondContact O-N 2.78Å; F77-V92 HydrophobicContact CD2-CG2 3.68Å; F77-V92 HydrophobicContact CE2-CG2 3.55Å; V86-V92 HydrophobicContact CG2-CG2 4.47Å; G90-V92 PolarHBondContact O-N 3.45Å; V92-L94 HydrophobicContact CB-CD2 4.44Å; V92-L94 HydrophobicContact CB-CG 4.37Å; V92-L94 HydrophobicContact CG1-CD2 3.87Å; V92-L94 HydrophobicContact CG1-CG 4.25Å; V92-L94 PolarHBondContact O-N 3.38Å; V92-I134 HydrophobicContact CG1-CG1 4.49Å; V92-L137 HydrophobicContact CG1-CD2 3.98Å
93C82.9Confident69.6Low16 Ų1658.8 Ų58.811%0.10831%0.309CS..  trans-71.696.6171.9-168.20000108.7N85 F87 S95 I96 A147N85-C93 PolarHBondContact O-N 3.4Å; F87-C93 HydrophobicContact CD2-CB 4.38Å; F87-C93 HydrophobicContact CE2-CB 3.66Å; F87-C93 HydrophobicContact CZ-CB 4.18Å; C93-S95 VanDerWaalsContact C-N 3.34Å; C93-S95 PolarHBondContact SG-OG 3.46Å; C93-I96 WeakPolarHBondContact O-CD1 3.48Å; C93-I96 WeakPolarHBondContact O-CG1 3.45Å; C93-A147 HydrophobicContact CB-CB 3.86Å
94L64.8Low66.6Low19 Ų1963.8 Ų63.810%0.09934%0.342CS..  trans-95.519.6174.2-61.2174.8000111.5P73 C75 V92 I96 L97P73-L94 WeakPolarHBondContact O-CD1 3.5Å; C75-L94 HydrophobicContact CB-CD1 4.13Å; V92-L94 HydrophobicContact CB-CD2 4.44Å; V92-L94 HydrophobicContact CB-CG 4.37Å; V92-L94 HydrophobicContact CG1-CD2 3.87Å; V92-L94 HydrophobicContact CG1-CG 4.25Å; V92-L94 PolarHBondContact O-N 3.38Å; L94-I96 PolarHBondContact O-N 3.24Å; L94-L97 HydrophobicContact CB-CB 4.46Å; L94-L97 HydrophobicContact CB-CD1 4.05Å; L94-L97 HydrophobicContact CB-CG 4.26Å; L94-L97 HydrophobicContact CD1-CD1 4.01Å; L94-L97 HydrophobicContact CD2-CD1 3.93Å; L94-L97 HydrophobicContact CD2-CG 4.31Å; L94-L97 HydrophobicContact CG-CD1 4.22Å; L94-L97 WeakPolarHBondContact O-CB 3.4Å; L94-L97 PolarHBondContact O-N 3.42Å
95S55.3Low64.1Low53 Ų5366.7 Ų66.737%0.37136%0.363SS..G310 helixtrans-54.1-24.2166.857.80000111C93 L97 H98C93-S95 VanDerWaalsContact C-N 3.34Å; C93-S95 PolarHBondContact SG-OG 3.46Å; S95-L97 PolarHBondContact O-N 2.84Å; S95-H98 PolarHBondContact O-N 3.42Å
96I47.7Very low62.1Low5 Ų567.9 Ų67.93%0.02637%0.368CS..G310 helixtrans-63.1-21.2170.2-16.3173.4000114C93 L94 F106 I108 R109 L137C93-I96 WeakPolarHBondContact O-CD1 3.48Å; C93-I96 WeakPolarHBondContact O-CG1 3.45Å; L94-I96 PolarHBondContact O-N 3.24Å; I96-F106 HydrophobicContact CB-CD1 4.48Å; I96-F106 HydrophobicContact CG2-CB 4.2Å; I96-F106 HydrophobicContact CG2-CD1 3.2Å; I96-F106 HydrophobicContact CG2-CE1 3.66Å; I96-F106 HydrophobicContact CG2-CG 3.94Å; I96-I108 HydrophobicContact CB-CG2 3.23Å; I96-I108 HydrophobicContact CD1-CB 4.44Å; I96-I108 HydrophobicContact CD1-CD1 4.39Å; I96-I108 HydrophobicContact CD1-CG2 3.7Å; I96-I108 HydrophobicContact CG1-CG2 4Å; I96-I108 HydrophobicContact CG2-CB 4.33Å; I96-I108 HydrophobicContact CG2-CG2 3.13Å; I96-R109 WeakPolarHBondContact O-CD 3.3Å; I96-R109 WeakPolarHBondContact O-CG 3.42Å; I96-R109 PolarHBondContact O-NE 3.22Å; I96-L137 HydrophobicContact CD1-CD1 4.04Å; I96-L137 HydrophobicContact CD1-CD2 4.24Å
97L47.7Very low60Low34 Ų3468.8 Ų68.818%0.17838%0.378CS..G310 helixtrans-82.5-15171.2-71.8180000113.5L94 S95 R109 I112L94-L97 HydrophobicContact CB-CB 4.46Å; L94-L97 HydrophobicContact CB-CD1 4.05Å; L94-L97 HydrophobicContact CB-CG 4.26Å; L94-L97 HydrophobicContact CD1-CD1 4.01Å; L94-L97 HydrophobicContact CD2-CD1 3.93Å; L94-L97 HydrophobicContact CD2-CG 4.31Å; L94-L97 HydrophobicContact CG-CD1 4.22Å; L94-L97 WeakPolarHBondContact O-CB 3.4Å; L94-L97 PolarHBondContact O-N 3.42Å; S95-L97 PolarHBondContact O-N 2.84Å; L97-R109 PolarHBondContact O-NH2 3.47Å; L97-I112 HydrophobicContact CD2-CD1 3.38Å; L97-I112 HydrophobicContact CD2-CG2 4.13Å; L97-I112 HydrophobicContact CG-CD1 4.4Å
98H47Very low58.1Low93 Ų9365 Ų6543%0.43136%0.361SS..  trans-85131.1-171.2-81.973.1000113.7S95 E100 G101 R109S95-H98 PolarHBondContact O-N 3.42Å; H98-E100 PolarHBondContact O-N 3.13Å; H98-E100 VanDerWaalsContact O-N 3.09Å; H98-G101 PolarHBondContact O-N 3.37Å; H98-R109 VanDerWaalsContact C-CZ 3.46Å; H98-R109 PolarHBondContact O-NE 3.27Å; H98-R109 PolarHBondContact O-NH2 3.03Å
99P40.4Very low56.2Low101 Ų10163.3 Ų63.366%0.65634%0.34SS*.THydrogen-bonded Turntrans-52.9-30.2-177.8-28.734.8000115.1G101P99-G101 VanDerWaalsContact C-N 3.32Å; P99-G101 PolarHBondContact O-N 2.8Å
100E43.2Very low54.3Low192 Ų19265.4 Ų65.490%0.89734%0.342SS*.THydrogen-bonded Turntrans-85.6-0.1-167.4-53.7-165.3171.700114.2H98H98-E100 PolarHBondContact O-N 3.13Å; H98-E100 VanDerWaalsContact O-N 3.09Å
101G41.5Very low52.5Low31 Ų3166.4 Ų66.432%0.3235%0.348SS..  trans-103.544.8-178.200000114.9H98 P99 N103 F106H98-G101 PolarHBondContact O-N 3.37Å; P99-G101 VanDerWaalsContact C-N 3.32Å; P99-G101 PolarHBondContact O-N 2.8Å; G101-N103 PolarHBondContact O-N 3.04Å; G101-F106 WeakPolarHBondContact O-CD2 3.41Å; G101-F106 WeakPolarHBondContact O-CE2 3.39Å
102W28.7Very low50.8Low229 Ų22961.6 Ų61.687%0.86733%0.327SS*.  trans-59.3106.3179.4179.9-92000112.1
103N33.4Very low49.3Very low63 Ų6363.1 Ų63.134%0.33734%0.341SS..  trans-134.2127.7162.2-173.5-19.6000108.8G101 S105 F106G101-N103 PolarHBondContact O-N 3.04Å; N103-S105 PolarHBondContact O-N 3.33Å; N103-S105 PolarHBondContact OD1-N 3.38Å; N103-S105 PolarHBondContact OD1-OG 2.97Å; N103-F106 HydrophobicContact CB-CD2 3.54Å; N103-F106 HydrophobicContact CB-CE2 3.31Å; N103-F106 HydrophobicContact CB-CZ 4.35Å; N103-F106 WeakPolarHBondContact O-CD2 3.43Å; N103-F106 PolarHBondContact O-N 3.29Å
104P29.7Very low47.9Very low107 Ų10767.6 Ų67.670%0.69536%0.363SS*.THydrogen-bonded Turntrans-58.1-0.3179.719.4-31.7000116.4
105S40.3Very low47.5Very low66 Ų6668.3 Ų68.346%0.46237%0.367SS..THydrogen-bonded Turntrans-91.3-0.4174.2-40.70000115.5N103 G107N103-S105 PolarHBondContact O-N 3.33Å; N103-S105 PolarHBondContact OD1-N 3.38Å; N103-S105 PolarHBondContact OD1-OG 2.97Å; S105-G107 PolarHBondContact O-N 3.33Å
106F48.7Very low47.5Very low26 Ų2667.4 Ų67.411%0.11436%0.358CS..  trans-85.692.6-167.6-78.9-62.1000115.4I96 G101 N103 N142I96-F106 HydrophobicContact CB-CD1 4.48Å; I96-F106 HydrophobicContact CG2-CB 4.2Å; I96-F106 HydrophobicContact CG2-CD1 3.2Å; I96-F106 HydrophobicContact CG2-CE1 3.66Å; I96-F106 HydrophobicContact CG2-CG 3.94Å; G101-F106 WeakPolarHBondContact O-CD2 3.41Å; G101-F106 WeakPolarHBondContact O-CE2 3.39Å; N103-F106 HydrophobicContact CB-CD2 3.54Å; N103-F106 HydrophobicContact CB-CE2 3.31Å; N103-F106 HydrophobicContact CB-CZ 4.35Å; N103-F106 WeakPolarHBondContact O-CD2 3.43Å; N103-F106 PolarHBondContact O-N 3.29Å; F106-N142 WeakPolarHBondContact CD1-ND2 3.35Å; F106-N142 WeakPolarHBondContact CE1-ND2 3.14Å
107G49.3Very low47.9Very low22 Ų2272.1 Ų72.123%0.22738%0.383CS..Hα-helixtrans-66.1-36.9179.300000115.9S105 R109 Q110 V111S105-G107 PolarHBondContact O-N 3.33Å; G107-R109 PolarHBondContact O-N 2.94Å; G107-Q110 WeakPolarHBondContact O-CB 3.38Å; G107-Q110 PolarHBondContact O-N 2.95Å; G107-V111 WeakPolarHBondContact O-CG2 3.3Å; G107-V111 PolarHBondContact O-N 3.09Å
108I51.4Low48.1Very low5 Ų577 Ų773%0.02641%0.408CS..Hα-helixtrans-74.5-25.4-175.8-149.1-174.8000112.8I96 Q110 V111 I112 G133 L137I96-I108 HydrophobicContact CB-CG2 3.23Å; I96-I108 HydrophobicContact CD1-CB 4.44Å; I96-I108 HydrophobicContact CD1-CD1 4.39Å; I96-I108 HydrophobicContact CD1-CG2 3.7Å; I96-I108 HydrophobicContact CG1-CG2 4Å; I96-I108 HydrophobicContact CG2-CB 4.33Å; I96-I108 HydrophobicContact CG2-CG2 3.13Å; I108-Q110 VanDerWaalsContact C-N 3.35Å; I108-V111 PolarHBondContact O-N 3.3Å; I108-I112 HydrophobicContact CD1-CD1 4.29Å; I108-I112 HydrophobicContact CG1-CD1 4.03Å; I108-I112 HydrophobicContact CG1-CG1 4.39Å; I108-I112 VanDerWaalsContact O-CB 3.26Å; I108-I112 WeakPolarHBondContact O-CB 3.4Å; I108-I112 VanDerWaalsContact O-CG1 3.28Å; I108-I112 WeakPolarHBondContact O-CG1 3.49Å; I108-I112 PolarHBondContact O-N 3.1Å; I108-G133 WeakPolarHBondContact CD1-O 3.29Å; I108-G133 WeakPolarHBondContact CG1-O 3.12Å; I108-L137 HydrophobicContact CD1-CB 3.9Å; I108-L137 HydrophobicContact CD1-CD1 4.25Å; I108-L137 HydrophobicContact CD1-CD2 4Å; I108-L137 HydrophobicContact CD1-CG 4.27Å
109R52.6Low48.4Very low75 Ų7576.2 Ų76.228%0.28341%0.407SS..Hα-helixtrans-67.1-43.2171-83.3-166.4154.1-130.6-31.8110I96 L97 H98 G107 V111 I112 A113I96-R109 WeakPolarHBondContact O-CD 3.3Å; I96-R109 WeakPolarHBondContact O-CG 3.42Å; I96-R109 PolarHBondContact O-NE 3.22Å; L97-R109 PolarHBondContact O-NH2 3.47Å; H98-R109 VanDerWaalsContact C-CZ 3.46Å; H98-R109 PolarHBondContact O-NE 3.27Å; H98-R109 PolarHBondContact O-NH2 3.03Å; G107-R109 PolarHBondContact O-N 2.94Å; R109-V111 VanDerWaalsContact C-N 3.33Å; R109-I112 PolarHBondContact O-N 3.24Å; R109-A113 WeakPolarHBondContact O-CA 3.12Å; R109-A113 WeakPolarHBondContact O-CB 3.43Å; R109-A113 PolarHBondContact O-N 2.86Å
110Q55.3Low48.9Very low118 Ų11879.3 Ų79.355%0.55141%0.413SS*.Hα-helixtrans-64.3-42.8175.5-67.9168.7-11.700109.8G107 I108 A113 L114G107-Q110 WeakPolarHBondContact O-CB 3.38Å; G107-Q110 PolarHBondContact O-N 2.95Å; I108-Q110 VanDerWaalsContact C-N 3.35Å; Q110-A113 PolarHBondContact O-N 3.2Å; Q110-L114 WeakPolarHBondContact O-CB 3.48Å; Q110-L114 WeakPolarHBondContact O-CD1 3.38Å; Q110-L114 WeakPolarHBondContact O-CG 3.37Å; Q110-L114 PolarHBondContact O-N 3.42Å
111V57Low49.3Very low22 Ų2277.3 Ų77.313%0.13341%0.408CS..Hα-helixtrans-63.9-46.5176171.20000111.5G107 I108 R109 L114 L115 Y136G107-V111 WeakPolarHBondContact O-CG2 3.3Å; G107-V111 PolarHBondContact O-N 3.09Å; I108-V111 PolarHBondContact O-N 3.3Å; R109-V111 VanDerWaalsContact C-N 3.33Å; V111-L114 PolarHBondContact O-N 3.45Å; V111-L115 HydrophobicContact CG1-CD1 3.85Å; V111-L115 HydrophobicContact CG1-CG 4.27Å; V111-L115 VanDerWaalsContact O-CB 3.29Å; V111-L115 WeakPolarHBondContact O-CB 2.82Å; V111-L115 WeakPolarHBondContact O-CG 3.28Å; V111-L115 PolarHBondContact O-N 3.22Å; V111-Y136 HydrophobicContact CB-CD1 4.12Å; V111-Y136 HydrophobicContact CB-CE1 4.43Å; V111-Y136 HydrophobicContact CB-CG 4.29Å; V111-Y136 HydrophobicContact CG1-CD1 4.32Å; V111-Y136 HydrophobicContact CG1-CD2 4.48Å; V111-Y136 HydrophobicContact CG1-CG 4.02Å; V111-Y136 HydrophobicContact CG2-CD1 3.51Å; V111-Y136 HydrophobicContact CG2-CD2 3.86Å; V111-Y136 HydrophobicContact CG2-CE1 3.43Å; V111-Y136 VanDerWaalsContact CG2-CE1 3.43Å; V111-Y136 HydrophobicContact CG2-CE2 3.78Å; V111-Y136 HydrophobicContact CG2-CG 3.71Å
112I58.6Low49.9Very low7 Ų777.6 Ų77.64%0.03640%0.402CS..Hα-helixtrans-71.5-33.1179.8-68.2174.9000111.3L97 I108 R109 L115 I116 P125L97-I112 HydrophobicContact CD2-CD1 3.38Å; L97-I112 HydrophobicContact CD2-CG2 4.13Å; L97-I112 HydrophobicContact CG-CD1 4.4Å; I108-I112 HydrophobicContact CD1-CD1 4.29Å; I108-I112 HydrophobicContact CG1-CD1 4.03Å; I108-I112 HydrophobicContact CG1-CG1 4.39Å; I108-I112 VanDerWaalsContact O-CB 3.26Å; I108-I112 WeakPolarHBondContact O-CB 3.4Å; I108-I112 VanDerWaalsContact O-CG1 3.28Å; I108-I112 WeakPolarHBondContact O-CG1 3.49Å; I108-I112 PolarHBondContact O-N 3.1Å; R109-I112 PolarHBondContact O-N 3.24Å; I112-L115 PolarHBondContact O-N 3.18Å; I112-I116 HydrophobicContact CG2-CD1 3.96Å; I112-I116 HydrophobicContact CG2-CG1 4.35Å; I112-I116 VanDerWaalsContact O-CB 3.3Å; I112-I116 WeakPolarHBondContact O-CB 3.49Å; I112-I116 WeakPolarHBondContact O-CG1 3.38Å; I112-I116 PolarHBondContact O-N 3.46Å; I112-P125 HydrophobicContact CG2-CB 4.36Å; I112-P125 HydrophobicContact CG2-CG 3.82Å
113A59.2Low51.6Low41 Ų4172.5 Ų72.534%0.33940%0.401SS..Hα-helixtrans-68.3-41.6171.700000111.3R109 Q110 L115 I116 D117R109-A113 WeakPolarHBondContact O-CA 3.12Å; R109-A113 WeakPolarHBondContact O-CB 3.43Å; R109-A113 PolarHBondContact O-N 2.86Å; Q110-A113 PolarHBondContact O-N 3.2Å; A113-L115 VanDerWaalsContact C-N 3.32Å; A113-L115 PolarHBondContact O-N 3.33Å; A113-I116 PolarHBondContact O-N 3.06Å; A113-D117 WeakPolarHBondContact O-CB 3.39Å; A113-D117 PolarHBondContact O-N 3.03Å
114L55Low53.4Low110 Ų11070.7 Ų70.758%0.57639%0.393SS*.Hα-helixtrans-62.6-42.1172.5-73.3168000110.4Q110 V111 D117 L118Q110-L114 WeakPolarHBondContact O-CB 3.48Å; Q110-L114 WeakPolarHBondContact O-CD1 3.38Å; Q110-L114 WeakPolarHBondContact O-CG 3.37Å; Q110-L114 PolarHBondContact O-N 3.42Å; V111-L114 PolarHBondContact O-N 3.45Å; L114-D117 PolarHBondContact O-N 3.3Å; L114-L118 WeakPolarHBondContact O-CG 2.98Å; L114-L118 PolarHBondContact O-N 2.81Å
115L55.1Low55.5Low34 Ų3467 Ų6718%0.17837%0.368CS..Hα-helixtrans-66.7-39.3176.4-71.3173.4000111.8V111 I112 A113 Q129 E132V111-L115 HydrophobicContact CG1-CD1 3.85Å; V111-L115 HydrophobicContact CG1-CG 4.27Å; V111-L115 VanDerWaalsContact O-CB 3.29Å; V111-L115 WeakPolarHBondContact O-CB 2.82Å; V111-L115 WeakPolarHBondContact O-CG 3.28Å; V111-L115 PolarHBondContact O-N 3.22Å; I112-L115 PolarHBondContact O-N 3.18Å; A113-L115 VanDerWaalsContact C-N 3.32Å; A113-L115 PolarHBondContact O-N 3.33Å; L115-Q129 VanDerWaalsContact C-NE2 3.28Å; L115-Q129 HydrophobicContact CB-CB 4.32Å; L115-Q129 HydrophobicContact CB-CG 4.04Å; L115-Q129 PolarHBondContact O-NE2 2.82Å; L115-E132 HydrophobicContact CD1-CB 3.73Å
116I56.6Low57.6Low35 Ų3564.5 Ų64.518%0.17935%0.351CS..Hα-helixtrans-66.4-47.5173.5-74.6167.9000110.7I112 A113 L118 D119 L122 P125I112-I116 HydrophobicContact CG2-CD1 3.96Å; I112-I116 HydrophobicContact CG2-CG1 4.35Å; I112-I116 VanDerWaalsContact O-CB 3.3Å; I112-I116 WeakPolarHBondContact O-CB 3.49Å; I112-I116 WeakPolarHBondContact O-CG1 3.38Å; I112-I116 PolarHBondContact O-N 3.46Å; A113-I116 PolarHBondContact O-N 3.06Å; I116-L118 PolarHBondContact O-N 2.83Å; I116-D119 CarbonylContact O-C 3.51Å; I116-D119 WeakPolarHBondContact O-CA 3.26Å; I116-D119 PolarHBondContact O-N 3.02Å; I116-L122 WeakPolarHBondContact CG2-O 3.49Å; I116-P125 HydrophobicContact CD1-CB 4.5Å; I116-P125 HydrophobicContact CD1-CG 3.64Å; I116-P125 HydrophobicContact CG1-CB 4.48Å; I116-P125 HydrophobicContact CG1-CG 4.13Å
117D56Low59.5Low103 Ų10363.4 Ų63.455%0.55135%0.346SS*.Hα-helixtrans-63.9-29.8-177.3-77.6-16.3000111.5A113 L114 D119 H120A113-D117 WeakPolarHBondContact O-CB 3.39Å; A113-D117 PolarHBondContact O-N 3.03Å; L114-D117 PolarHBondContact O-N 3.3Å; D117-D119 PolarHBondContact O-N 2.86Å; D117-H120 PolarHBondContact O-CE1 3Å; D117-H120 PolarHBondContact O-ND1 3.02Å
118L50.9Low61.4Low136 Ų13664.3 Ų64.371%0.71235%0.346SS*.THydrogen-bonded Turntrans-63.9-24.4170.3-74169000112.9L114 I116L114-L118 WeakPolarHBondContact O-CG 2.98Å; L114-L118 PolarHBondContact O-N 2.81Å; I116-L118 PolarHBondContact O-N 2.83Å
119D53.2Low63Low77 Ų7764.6 Ų64.641%0.41235%0.347SS..SBendtrans-109.574.6171-163.9-9.4000109I116 D117 N121 L122I116-D119 CarbonylContact O-C 3.51Å; I116-D119 WeakPolarHBondContact O-CA 3.26Å; I116-D119 PolarHBondContact O-N 3.02Å; D117-D119 PolarHBondContact O-N 2.86Å; D119-N121 PolarHBondContact O-N 2.92Å; D119-L122 HydrophobicContact CB-CD1 4.39Å; D119-L122 PolarHBondContact O-N 2.85Å; D119-L122 VanDerWaalsContact O-N 3.15Å; D119-L122 WeakPolarHBondContact OD2-CD1 3.4Å
120H51.2Low64.6Low166 Ų16661.5 Ų61.577%0.76934%0.336SS*.THydrogen-bonded Turntrans-45.12.4-170.1-66.9-55000118.4D117D117-H120 PolarHBondContact O-CE1 3Å; D117-H120 PolarHBondContact O-ND1 3.02Å
121N51Low66.3Low150 Ų15055.9 Ų55.980%0.80231%0.31SS*.THydrogen-bonded Turntrans-131.16.8-176-72-46.7000115.7D119D119-N121 PolarHBondContact O-N 2.92Å
122L54Low67.9Low38 Ų3857 Ų5720%0.19931%0.314CS..  trans-108.7114.9-177.9-71.2177.2000113.4I116 D119 V124I116-L122 WeakPolarHBondContact CG2-O 3.49Å; D119-L122 HydrophobicContact CB-CD1 4.39Å; D119-L122 PolarHBondContact O-N 2.85Å; D119-L122 VanDerWaalsContact O-N 3.15Å; D119-L122 WeakPolarHBondContact OD2-CD1 3.4Å; L122-V124 PolarHBondContact O-N 3.02Å
123S65.6Low69.2Low121 Ų12156.7 Ų56.785%0.84631%0.313SS*.SBendtrans-74.7-10.1169.156.30000113.8
124V70.6Confident70.7Confident26 Ų2654.9 Ų54.916%0.15830%0.297CS..SBendtrans-133.4122.2-173.21780000108.6R8 Y68 P69 L122 S126R8-V124 PolarHBondContact NH2-O 3.05Å; R8-V124 VanDerWaalsContact NH2-O 3.1Å; Y68-V124 HydrophobicContact CE2-CG1 4.36Å; P69-V124 HydrophobicContact CB-CB 4.19Å; P69-V124 HydrophobicContact CB-CG1 3.54Å; P69-V124 HydrophobicContact CB-CG2 3.78Å; P69-V124 HydrophobicContact CG-CG2 4.19Å; L122-V124 PolarHBondContact O-N 3.02Å; V124-S126 PolarHBondContact O-N 3.24Å
125P74.2Confident72.5Confident28 Ų2851.6 Ų51.618%0.18228%0.279CS..  trans-52.8138.6177-22.229.3000112.5I112 I116 Q129 V130I112-P125 HydrophobicContact CG2-CB 4.36Å; I112-P125 HydrophobicContact CG2-CG 3.82Å; I116-P125 HydrophobicContact CD1-CB 4.5Å; I116-P125 HydrophobicContact CD1-CG 3.64Å; I116-P125 HydrophobicContact CG1-CB 4.48Å; I116-P125 HydrophobicContact CG1-CG 4.13Å; P125-Q129 VanDerWaalsContact CA-OE1 3.26Å; P125-Q129 HydrophobicContact CB-CB 4.17Å; P125-V130 HydrophobicContact CB-CG2 4.06Å
126S84Confident74.1Confident15 Ų1554 Ų5411%0.10529%0.286CS..  trans-68.5164.3165.270.20000111E12 V124 L128 Q129 V130E12-S126 WeakPolarHBondContact OE2-CB 3.41Å; V124-S126 PolarHBondContact O-N 3.24Å; S126-L128 PolarHBondContact O-N 3.45Å; S126-Q129 PolarHBondContact O-N 3.32Å; S126-Q129 WeakPolarHBondContact OG-CG 3.3Å; S126-Q129 PolarHBondContact OG-N 3.32Å; S126-Q129 PolarHBondContact OG-OE1 3.48Å; S126-V130 WeakPolarHBondContact O-CG2 3.08Å; S126-V130 PolarHBondContact O-N 3.23Å; S126-V130 VanDerWaalsContact O-N 3.1Å
127L88.4Confident75.6Confident2 Ų252.5 Ų52.51%0.0128%0.279CS..Hα-helixtrans-56.8-38.3174.1174.963000111.6W16 A26 W41 V62 F64 V130 L131W16-L127 HydrophobicContact CE3-CD2 4.26Å; W16-L127 HydrophobicContact CE3-CG 4.49Å; W16-L127 HydrophobicContact CZ3-CD2 4.5Å; W16-L127 HydrophobicContact CZ3-CG 4.41Å; A26-L127 HydrophobicContact CB-CD2 3.75Å; W41-L127 HydrophobicContact CD2-CD2 3.92Å; W41-L127 HydrophobicContact CE3-CD2 3.32Å; W41-L127 HydrophobicContact CH2-CD2 3.86Å; W41-L127 HydrophobicContact CZ2-CD2 4.43Å; W41-L127 HydrophobicContact CZ3-CD2 3.28Å; V62-L127 HydrophobicContact CB-CD1 4.41Å; V62-L127 HydrophobicContact CG1-CD1 4.11Å; V62-L127 HydrophobicContact CG2-CD1 4.15Å; F64-L127 HydrophobicContact CZ-CD1 4.18Å; L127-V130 PolarHBondContact O-N 3.37Å; L127-L131 HydrophobicContact CD1-CD1 4.21Å; L127-L131 HydrophobicContact CD1-CG 4.16Å; L127-L131 HydrophobicContact CG-CD1 4.11Å; L127-L131 HydrophobicContact CG-CG 4.43Å; L127-L131 WeakPolarHBondContact O-CG 3.48Å; L127-L131 PolarHBondContact O-N 2.85Å
128L88.9Confident77.3Confident41 Ų4147.7 Ų47.722%0.21525%0.253CS..Hα-helixtrans-61.3-49.1178.5177.458.5000111.2W16 P21 S126 V130 L131 E132W16-L128 HydrophobicContact CH2-CD1 4.42Å; W16-L128 HydrophobicContact CZ3-CB 4.12Å; W16-L128 HydrophobicContact CZ3-CD1 4.05Å; P21-L128 VanDerWaalsContact CD-CD1 3.47Å; P21-L128 HydrophobicContact CG-CD1 3.93Å; P21-L128 HydrophobicContact CG-CD2 4.28Å; S126-L128 PolarHBondContact O-N 3.45Å; L128-V130 VanDerWaalsContact C-N 3.26Å; L128-V130 PolarHBondContact O-N 3.2Å; L128-L131 PolarHBondContact O-N 2.94Å; L128-E132 HydrophobicContact CD1-CG 3.92Å; L128-E132 HydrophobicContact CG-CG 4.25Å; L128-E132 WeakPolarHBondContact O-CG 3.15Å; L128-E132 PolarHBondContact O-N 3.43Å
129Q85Confident79.1Confident11 Ų1145.3 Ų45.35%0.05124%0.237CC..Hα-helixtrans-61.9-34.9179.4-66.5166.3-42.400112L115 P125 S126 G133L115-Q129 VanDerWaalsContact C-NE2 3.28Å; L115-Q129 HydrophobicContact CB-CB 4.32Å; L115-Q129 HydrophobicContact CB-CG 4.04Å; L115-Q129 PolarHBondContact O-NE2 2.82Å; P125-Q129 VanDerWaalsContact CA-OE1 3.26Å; P125-Q129 HydrophobicContact CB-CB 4.17Å; S126-Q129 PolarHBondContact O-N 3.32Å; S126-Q129 WeakPolarHBondContact OG-CG 3.3Å; S126-Q129 PolarHBondContact OG-N 3.32Å; S126-Q129 PolarHBondContact OG-OE1 3.48Å; Q129-G133 PolarHBondContact O-N 3.27Å
130V86.7Confident80.7Confident10 Ų1044.7 Ų44.76%0.06124%0.236CC..Hα-helixtrans-62.9-47172.1173.60000111P125 S126 L127 L128 G133 I134P125-V130 HydrophobicContact CB-CG2 4.06Å; S126-V130 WeakPolarHBondContact O-CG2 3.08Å; S126-V130 PolarHBondContact O-N 3.23Å; S126-V130 VanDerWaalsContact O-N 3.1Å; L127-V130 PolarHBondContact O-N 3.37Å; L128-V130 VanDerWaalsContact C-N 3.26Å; L128-V130 PolarHBondContact O-N 3.2Å; V130-G133 PolarHBondContact O-N 3.21Å; V130-I134 HydrophobicContact CG1-CD1 4.08Å; V130-I134 VanDerWaalsContact O-CG1 3.3Å; V130-I134 WeakPolarHBondContact O-CG1 3.38Å; V130-I134 PolarHBondContact O-N 3.24Å
131L91.7Very high82.3Confident0 Ų037.4 Ų37.40%020%0.203CC..Hα-helixtrans-68.6-38.5-179.1-64.8176.2000112.4W16 F24 C43 I45 I60 V62 L127 L128 I134 Q135W16-L131 HydrophobicContact CH2-CD1 3.58Å; W16-L131 HydrophobicContact CZ3-CD1 3.75Å; F24-L131 HydrophobicContact CD1-CB 3.97Å; F24-L131 HydrophobicContact CD1-CD1 4.36Å; F24-L131 HydrophobicContact CE1-CB 3.83Å; C43-L131 HydrophobicContact CB-CD1 4.23Å; C43-L131 HydrophobicContact CB-CD2 4.02Å; I45-L131 HydrophobicContact CD1-CB 4.35Å; I45-L131 HydrophobicContact CD1-CD2 3.84Å; I45-L131 HydrophobicContact CG1-CB 4.24Å; I45-L131 HydrophobicContact CG1-CD2 3.9Å; I60-L131 HydrophobicContact CG2-CD2 3.93Å; V62-L131 HydrophobicContact CG2-CD2 4.24Å; L127-L131 HydrophobicContact CD1-CD1 4.21Å; L127-L131 HydrophobicContact CD1-CG 4.16Å; L127-L131 HydrophobicContact CG-CD1 4.11Å; L127-L131 HydrophobicContact CG-CG 4.43Å; L127-L131 WeakPolarHBondContact O-CG 3.48Å; L127-L131 PolarHBondContact O-N 2.85Å; L128-L131 PolarHBondContact O-N 2.94Å; L131-I134 PolarHBondContact O-N 3.42Å; L131-Q135 PolarHBondContact O-N 3.41Å
132E89.2Confident83.6Confident47 Ų4731.1 Ų31.122%0.2217%0.169CC..Hα-helixtrans-65.9-41.4174.5-72.2173.8150.400111.7F24 L115 L128 I134 Q135 Y136F24-E132 HydrophobicContact CE1-CG 4.45Å; F24-E132 HydrophobicContact CZ-CG 4.15Å; L115-E132 HydrophobicContact CD1-CB 3.73Å; L128-E132 HydrophobicContact CD1-CG 3.92Å; L128-E132 HydrophobicContact CG-CG 4.25Å; L128-E132 WeakPolarHBondContact O-CG 3.15Å; L128-E132 PolarHBondContact O-N 3.43Å; E132-I134 VanDerWaalsContact C-N 3.31Å; E132-I134 PolarHBondContact O-N 2.78Å; E132-Q135 WeakPolarHBondContact O-CB 3.33Å; E132-Q135 PolarHBondContact O-N 2.76Å; E132-Y136 PolarHBondContact O-N 3.45Å
133G86.7Confident84.9Confident0 Ų031.4 Ų31.40%017%0.173CC..Hα-helixtrans-59.4-42.2172.300000112.2I108 Q129 V130 Y136 L137I108-G133 WeakPolarHBondContact CD1-O 3.29Å; I108-G133 WeakPolarHBondContact CG1-O 3.12Å; Q129-G133 PolarHBondContact O-N 3.27Å; V130-G133 PolarHBondContact O-N 3.21Å; G133-Y136 PolarHBondContact O-N 3.45Å; G133-L137 PolarHBondContact O-N 2.83Å
134I91Very high85.5Confident2 Ų229.8 Ų29.81%0.0116%0.157CC..Hα-helixtrans-67.7-39.4175.3-65.7168.3000111.2I45 I60 C75 F77 V92 V130 L131 E132 Y136 L137 L138I45-I134 HydrophobicContact CD1-CB 3.73Å; I45-I134 HydrophobicContact CD1-CG2 3.45Å; I45-I134 VanDerWaalsContact CD1-CG2 3.45Å; I60-I134 HydrophobicContact CD1-CD1 3.73Å; I60-I134 HydrophobicContact CD1-CG2 4.16Å; C75-I134 HydrophobicContact CB-CD1 3.78Å; F77-I134 HydrophobicContact CE2-CG2 4.04Å; F77-I134 HydrophobicContact CZ-CG2 3.6Å; V92-I134 HydrophobicContact CG1-CG1 4.49Å; V130-I134 HydrophobicContact CG1-CD1 4.08Å; V130-I134 VanDerWaalsContact O-CG1 3.3Å; V130-I134 WeakPolarHBondContact O-CG1 3.38Å; V130-I134 PolarHBondContact O-N 3.24Å; L131-I134 PolarHBondContact O-N 3.42Å; E132-I134 VanDerWaalsContact C-N 3.31Å; E132-I134 PolarHBondContact O-N 2.78Å; I134-Y136 VanDerWaalsContact C-N 3.31Å; I134-Y136 PolarHBondContact O-N 2.69Å; I134-L137 WeakPolarHBondContact O-CB 3.41Å; I134-L137 PolarHBondContact O-N 3.42Å; I134-L138 PolarHBondContact O-N 2.63Å; I134-L138 VanDerWaalsContact O-N 3.09Å
135Q92.6Very high85.7Confident42 Ų4233 Ų3320%0.19617%0.174CC..Hα-helixtrans-58.8-45.2173.7-169.6-1714800111.1F24 I45 P46 P48 L131 E132 L137 L138 K139F24-Q135 HydrophobicContact CZ-CB 4.26Å; F24-Q135 HydrophobicContact CZ-CG 4.44Å; I45-Q135 HydrophobicContact CG2-CB 3.59Å; I45-Q135 HydrophobicContact CG2-CG 3.83Å; P46-Q135 WeakPolarHBondContact O-CG 3.5Å; P46-Q135 PolarHBondContact O-NE2 2.76Å; P48-Q135 HydrophobicContact CB-CG 4.03Å; P48-Q135 HydrophobicContact CG-CG 4.13Å; L131-Q135 PolarHBondContact O-N 3.41Å; E132-Q135 WeakPolarHBondContact O-CB 3.33Å; E132-Q135 PolarHBondContact O-N 2.76Å; Q135-L137 VanDerWaalsContact C-N 3.3Å; Q135-L137 PolarHBondContact O-N 3.15Å; Q135-L138 WeakPolarHBondContact O-CB 3.24Å; Q135-L138 PolarHBondContact O-N 2.78Å; Q135-K139 PolarHBondContact O-N 2.85Å
136Y88.9Confident86.1Confident83 Ų8332.8 Ų32.833%0.32517%0.172SC..Hα-helixtrans-60.7-42175.4179.1-93.6000111.7V111 E132 G133 I134 L138 K139 V140V111-Y136 HydrophobicContact CB-CD1 4.12Å; V111-Y136 HydrophobicContact CB-CE1 4.43Å; V111-Y136 HydrophobicContact CB-CG 4.29Å; V111-Y136 HydrophobicContact CG1-CD1 4.32Å; V111-Y136 HydrophobicContact CG1-CD2 4.48Å; V111-Y136 HydrophobicContact CG1-CG 4.02Å; V111-Y136 HydrophobicContact CG2-CD1 3.51Å; V111-Y136 HydrophobicContact CG2-CD2 3.86Å; V111-Y136 HydrophobicContact CG2-CE1 3.43Å; V111-Y136 VanDerWaalsContact CG2-CE1 3.43Å; V111-Y136 HydrophobicContact CG2-CE2 3.78Å; V111-Y136 HydrophobicContact CG2-CG 3.71Å; E132-Y136 PolarHBondContact O-N 3.45Å; G133-Y136 PolarHBondContact O-N 3.45Å; I134-Y136 VanDerWaalsContact C-N 3.31Å; I134-Y136 PolarHBondContact O-N 2.69Å; Y136-L138 PolarHBondContact O-N 2.73Å; Y136-K139 PolarHBondContact O-N 3.45Å; Y136-V140 HydrophobicContact CD1-CB 4.4Å; Y136-V140 HydrophobicContact CE1-CB 3.82Å; Y136-V140 HydrophobicContact CE1-CG1 4.28Å; Y136-V140 HydrophobicContact CE1-CG2 4.23Å; Y136-V140 HydrophobicContact CE2-CB 4.45Å; Y136-V140 HydrophobicContact CE2-CG2 3.95Å; Y136-V140 PolarHBondContact O-N 3.5Å
137L88Confident86.2Confident5 Ų533 Ų333%0.02618%0.175CC..Hα-helixtrans-60-35.1177.9-168.864.9000112.3H83 N85 V92 I96 I108 G133 I134 Q135 K139 V140 P141H83-L137 PolarHBondContact CE1-O 3.36Å; H83-L137 PolarHBondContact NE2-O 3.48Å; N85-L137 HydrophobicContact CB-CD1 4.22Å; N85-L137 HydrophobicContact CB-CD2 3.64Å; N85-L137 HydrophobicContact CB-CG 4.1Å; N85-L137 WeakPolarHBondContact OD1-CD1 3.36Å; V92-L137 HydrophobicContact CG1-CD2 3.98Å; I96-L137 HydrophobicContact CD1-CD1 4.04Å; I96-L137 HydrophobicContact CD1-CD2 4.24Å; I108-L137 HydrophobicContact CD1-CB 3.9Å; I108-L137 HydrophobicContact CD1-CD1 4.25Å; I108-L137 HydrophobicContact CD1-CD2 4Å; I108-L137 HydrophobicContact CD1-CG 4.27Å; G133-L137 PolarHBondContact O-N 2.83Å; I134-L137 WeakPolarHBondContact O-CB 3.41Å; I134-L137 PolarHBondContact O-N 3.42Å; Q135-L137 VanDerWaalsContact C-N 3.3Å; Q135-L137 PolarHBondContact O-N 3.15Å; L137-K139 VanDerWaalsContact C-N 3.33Å; L137-K139 PolarHBondContact O-N 2.84Å; L137-V140 CarbonylContact O-C 3.1Å; L137-V140 VanDerWaalsContact O-C 3.28Å; L137-V140 PolarHBondContact O-N 2.99Å; L137-P141 WeakPolarHBondContact O-CA 3.46Å
138L90.9Very high86.2Confident2 Ų234 Ų341%0.0118%0.182CC..Hα-helixtrans-59.8-43.5172.5-63.5175.8000111.3P48 W53 Y58 F77 L81 I134 Q135 Y136P48-L138 HydrophobicContact CG-CB 4.47Å; W53-L138 VanDerWaalsContact CD1-O 3.23Å; W53-L138 HydrophobicContact CD2-CB 4.15Å; W53-L138 HydrophobicContact CD2-CD2 4.22Å; W53-L138 HydrophobicContact CE3-CD2 4.22Å; W53-L138 HydrophobicContact CG-CB 4.01Å; W53-L138 HydrophobicContact CH2-CD2 4.41Å; W53-L138 HydrophobicContact CZ2-CD2 4.37Å; W53-L138 HydrophobicContact CZ3-CD2 4.32Å; W53-L138 PolarHBondContact NE1-O 3.29Å; Y58-L138 HydrophobicContact CD2-CD1 3.95Å; Y58-L138 HydrophobicContact CE2-CD1 4.38Å; F77-L138 HydrophobicContact CZ-CD2 4.18Å; L81-L138 HydrophobicContact CD1-CD2 3.92Å; I134-L138 PolarHBondContact O-N 2.63Å; I134-L138 VanDerWaalsContact O-N 3.09Å; Q135-L138 WeakPolarHBondContact O-CB 3.24Å; Q135-L138 PolarHBondContact O-N 2.78Å; Y136-L138 PolarHBondContact O-N 2.73Å
139K89.2Confident86.1Confident85 Ų8537.1 Ų37.137%0.3720%0.196SC..Hα-helixtrans-72.2-39178.8-171.8167.5-176.21610112.4P48 A49 Q135 Y136 L137P48-K139 HydrophobicContact CB-CB 4.24Å; P48-K139 HydrophobicContact CB-CD 4.24Å; P48-K139 HydrophobicContact CG-CB 3.72Å; A49-K139 PolarHBondContact O-NZ 2.74Å; Q135-K139 PolarHBondContact O-N 2.85Å; Y136-K139 PolarHBondContact O-N 3.45Å; L137-K139 VanDerWaalsContact C-N 3.33Å; L137-K139 PolarHBondContact O-N 2.84Å
140V86.6Confident86.5Confident65 Ų6544.1 Ų44.139%0.39423%0.226SC..SBendtrans-130.882.9-171.8-170.70000109.2Y136 L137Y136-V140 HydrophobicContact CD1-CB 4.4Å; Y136-V140 HydrophobicContact CE1-CB 3.82Å; Y136-V140 HydrophobicContact CE1-CG1 4.28Å; Y136-V140 HydrophobicContact CE1-CG2 4.23Å; Y136-V140 HydrophobicContact CE2-CB 4.45Å; Y136-V140 HydrophobicContact CE2-CG2 3.95Å; Y136-V140 PolarHBondContact O-N 3.5Å; L137-V140 CarbonylContact O-C 3.1Å; L137-V140 VanDerWaalsContact O-C 3.28Å; L137-V140 PolarHBondContact O-N 2.99Å
141P85.7Confident86.7Confident13 Ų1343.8 Ų43.88%0.08422%0.224CC..  trans-68.1147.9179.626.4-33.3000111.6P84 N85 L137 T143 F155P84-P141 HydrophobicContact CB-CB 3.91Å; P84-P141 HydrophobicContact CG-CB 3.63Å; P84-P141 HydrophobicContact CG-CG 4.09Å; N85-P141 WeakPolarHBondContact OD1-CA 3.35Å; L137-P141 WeakPolarHBondContact O-CA 3.46Å; P141-T143 HydrophobicContact CB-CG2 4.47Å; P141-T143 HydrophobicContact CG-CG2 4.34Å; P141-T143 PolarHBondContact O-N 2.86Å; P141-F155 HydrophobicContact CG-CD1 3.44Å; P141-F155 VanDerWaalsContact CG-CD1 3.44Å; P141-F155 HydrophobicContact CG-CD2 3.71Å; P141-F155 HydrophobicContact CG-CE1 3.23Å; P141-F155 HydrophobicContact CG-CE2 3.49Å; P141-F155 VanDerWaalsContact CG-CE2 3.49Å; P141-F155 HydrophobicContact CG-CG 3.69Å; P141-F155 HydrophobicContact CG-CZ 3.26Å
142N78.7Confident86.5Confident18 Ų1843.8 Ų43.810%0.09622%0.224CC..  trans-82.8108.6164.71758000109.7N85 F106 V144N85-N142 PolarHBondContact ND2-O 3.42Å; N85-N142 PolarHBondContact OD1-N 3.4Å; N85-N142 PolarHBondContact OD1-O 3.44Å; F106-N142 WeakPolarHBondContact CD1-ND2 3.35Å; F106-N142 WeakPolarHBondContact CE1-ND2 3.14Å; N142-V144 WeakPolarHBondContact OD1-CB 3.44Å; N142-V144 PolarHBondContact OD1-N 3.16Å
143T81Confident86.5Confident44 Ų4445.6 Ų45.627%0.2724%0.236SC..  trans-99.22.5178.7570000113.6P84 P141 S152 F155P84-T143 HydrophobicContact CB-CG2 4.49Å; P84-T143 HydrophobicContact CG-CG2 4.48Å; P141-T143 HydrophobicContact CB-CG2 4.47Å; P141-T143 HydrophobicContact CG-CG2 4.34Å; P141-T143 PolarHBondContact O-N 2.86Å; T143-S152 WeakPolarHBondContact CB-OG 3.48Å; T143-F155 HydrophobicContact CG2-CD1 4.18Å
144V76.8Confident86.6Confident86 Ų8649 Ų4952%0.52126%0.263SS..SBendtrans-76.8-40176.7-179.60000110.9N142N142-V144 WeakPolarHBondContact OD1-CB 3.44Å; N142-V144 PolarHBondContact OD1-N 3.16Å
145D76.3Confident86.1Confident93 Ų9353.8 Ų53.850%0.49728%0.284SS..SBendtrans-135.276.5176.2-174.923.1000109.8
146P83Confident85.4Confident24 Ų2460.7 Ų60.716%0.15631%0.314CS..  trans-78137.7-174.431.9-34.4000111.7P84 S148P84-P146 HydrophobicContact CB-CB 4.31Å; P84-P146 CarbonylContact O-C 3.43Å; P84-P146 WeakPolarHBondContact O-CA 3.3Å; P146-S148 PolarHBondContact O-N 2.98Å
147A85.8Confident85.2Confident19 Ų1959.6 Ų59.616%0.15731%0.313CS..SBendtrans-67.2-23.8167.300000112.8P84 F87 C93P84-A147 WeakPolarHBondContact O-CA 3.04Å; P84-A147 PolarHBondContact O-N 2.67Å; F87-A147 HydrophobicContact CD1-CB 3.86Å; F87-A147 HydrophobicContact CD2-CB 4.07Å; F87-A147 HydrophobicContact CE1-CB 3.82Å; F87-A147 HydrophobicContact CE2-CB 4.03Å; F87-A147 HydrophobicContact CG-CB 3.98Å; F87-A147 HydrophobicContact CZ-CB 3.9Å; C93-A147 HydrophobicContact CB-CB 3.86Å
148S87.5Confident85.1Confident23 Ų2362.5 Ų62.516%0.16133%0.328CS..  trans-134.5102.2177.5176.10000109.7P84 P146 K150 A151 S152P84-S148 PolarHBondContact O-N 3.02Å; P146-S148 PolarHBondContact O-N 2.98Å; S148-K150 VanDerWaalsContact C-N 3.3Å; S148-K150 PolarHBondContact O-N 2.72Å; S148-A151 PolarHBondContact O-N 3.47Å; S148-A151 WeakPolarHBondContact OG-CB 3.22Å; S148-A151 PolarHBondContact OG-N 3.3Å; S148-S152 PolarHBondContact O-N 2.72Å
149Q87.9Confident84.7Confident107 Ų10765.8 Ų65.850%0.535%0.346SS..Hα-helixtrans-57-45.1177.9-170.960.750.200111.3A151 S152 D153Q149-A151 VanDerWaalsContact C-N 3.3Å; Q149-A151 PolarHBondContact O-N 3.49Å; Q149-S152 CarbonylContact O-C 3.52Å; Q149-S152 WeakPolarHBondContact O-CA 3.43Å; Q149-S152 WeakPolarHBondContact O-CB 3.16Å; Q149-S152 PolarHBondContact O-N 3.34Å; Q149-D153 PolarHBondContact NE2-OD1 2.84Å; Q149-D153 VanDerWaalsContact O-CG 3.22Å; Q149-D153 PolarHBondContact O-N 3.46Å
150K91.7Very high84.5Confident158 Ų15864.7 Ų64.769%0.68734%0.344SS*.Hα-helixtrans-57.7-40.4178.3-175.1-179.3176.9179.30112.8F82 S148 A154F82-K150 HydrophobicContact CE2-CB 4.46Å; F82-K150 HydrophobicContact CE2-CD 4.15Å; F82-K150 HydrophobicContact CE2-CG 4Å; F82-K150 HydrophobicContact CZ-CG 4.09Å; S148-K150 VanDerWaalsContact C-N 3.3Å; S148-K150 PolarHBondContact O-N 2.72Å; K150-A154 PolarHBondContact O-N 2.77Å
151A90.9Very high84.3Confident3 Ų364.7 Ų64.73%0.02534%0.341CS..Hα-helixtrans-73.6-35.2176.500000111.6F82 H83 P84 S148 Q149 D153 A154 F155F82-A151 HydrophobicContact CD1-CB 4.24Å; F82-A151 HydrophobicContact CD2-CB 4.13Å; F82-A151 HydrophobicContact CE1-CB 4.01Å; F82-A151 HydrophobicContact CE2-CB 3.87Å; F82-A151 HydrophobicContact CG-CB 4.32Å; F82-A151 VanDerWaalsContact CZ-CA 3.43Å; F82-A151 HydrophobicContact CZ-CB 3.83Å; H83-A151 VanDerWaalsContact C-CB 3.4Å; P84-A151 HydrophobicContact CG-CB 4.35Å; S148-A151 PolarHBondContact O-N 3.47Å; S148-A151 WeakPolarHBondContact OG-CB 3.22Å; S148-A151 PolarHBondContact OG-N 3.3Å; Q149-A151 VanDerWaalsContact C-N 3.3Å; Q149-A151 PolarHBondContact O-N 3.49Å; A151-D153 VanDerWaalsContact C-N 3.34Å; A151-A154 PolarHBondContact O-N 3.16Å; A151-F155 WeakPolarHBondContact O-CB 3.18Å; A151-F155 PolarHBondContact O-N 2.84Å; A151-F155 VanDerWaalsContact O-N 3.13Å
152S87.3Confident84.3Confident0 Ų068.1 Ų68.10%036%0.359CS..Hα-helixtrans-63.5-38.8173.6-170.50000112.8T143 S148 Q149 F155 K156T143-S152 WeakPolarHBondContact CB-OG 3.48Å; S148-S152 PolarHBondContact O-N 2.72Å; Q149-S152 CarbonylContact O-C 3.52Å; Q149-S152 WeakPolarHBondContact O-CA 3.43Å; Q149-S152 WeakPolarHBondContact O-CB 3.16Å; Q149-S152 PolarHBondContact O-N 3.34Å; S152-F155 PolarHBondContact O-N 3.05Å; S152-K156 PolarHBondContact O-N 3.36Å
153D90Very high84.7Confident86 Ų8671.7 Ų71.746%0.4638%0.377SS..Hα-helixtrans-70.7-34.8179.2-62.4-23.2000111.3Q149 A151 F155Q149-D153 PolarHBondContact NE2-OD1 2.84Å; Q149-D153 VanDerWaalsContact O-CG 3.22Å; Q149-D153 PolarHBondContact O-N 3.46Å; A151-D153 VanDerWaalsContact C-N 3.34Å; D153-F155 VanDerWaalsContact C-N 3.31Å
154A88.5Confident84.9Confident70 Ų7073.8 Ų73.858%0.57939%0.386SS*.Hα-helixtrans-75.9-16.6176.400000114F82 K150 A151F82-A154 HydrophobicContact CE1-CB 3.86Å; F82-A154 HydrophobicContact CZ-CB 4.08Å; K150-A154 PolarHBondContact O-N 2.77Å; A151-A154 PolarHBondContact O-N 3.16Å
155F81.2Confident85.6Confident103 Ų10372.8 Ų72.845%0.45237%0.374SS..Hα-helixtrans-87.4-23.3178-169.4-90.2000112.9P84 P141 T143 A151 S152 D153P84-F155 HydrophobicContact CG-CB 4.08Å; P84-F155 HydrophobicContact CG-CG 4.41Å; P141-F155 HydrophobicContact CG-CD1 3.44Å; P141-F155 VanDerWaalsContact CG-CD1 3.44Å; P141-F155 HydrophobicContact CG-CD2 3.71Å; P141-F155 HydrophobicContact CG-CE1 3.23Å; P141-F155 HydrophobicContact CG-CE2 3.49Å; P141-F155 VanDerWaalsContact CG-CE2 3.49Å; P141-F155 HydrophobicContact CG-CG 3.69Å; P141-F155 HydrophobicContact CG-CZ 3.26Å; T143-F155 HydrophobicContact CG2-CD1 4.18Å; A151-F155 WeakPolarHBondContact O-CB 3.18Å; A151-F155 PolarHBondContact O-N 2.84Å; A151-F155 VanDerWaalsContact O-N 3.13Å; S152-F155 PolarHBondContact O-N 3.05Å; D153-F155 VanDerWaalsContact C-N 3.31Å
156K77.6Confident86.5Confident188 Ų18871 Ų7182%0.81736%0.363SS*.  trans-81.90177.4-71175.4-178.1172.60111S152S152-K156 PolarHBondContact O-N 3.36Å

Retrieved 156 of 156 residues in 130.1 ms (Link to these results)

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