A0A096NPH8_PAPAN Loading...

RWD domain-containing protein

AlphaFold DB (A0A2K6NVM4), UniProt , Accession A0A096NPH8, Species PAPAN (Papio anubis, Olive baboon), Gene RWDD2A, Length 292 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
1M41Very low82Confident243 Ų24378 Ų78100%1.19743%0.426SS*.  0125.10-66-176.9-122.200106.3A3M1-A3 PolarHBondContact O-N 3.45Å
2S53.2Low83.2Confident122 Ų12271.5 Ų71.585%0.85339%0.39SS*.PPolyproline II helixtrans-73.1120.1175.354.30000108.4
3A67.8Low84Confident32 Ų3267.2 Ų67.226%0.26437%0.367SS..PPolyproline II helixtrans-59.2146175.500000110.8M1 Y82M1-A3 PolarHBondContact O-N 3.45Å; A3-Y82 HydrophobicContact CB-CD1 3.98Å; A3-Y82 HydrophobicContact CB-CD2 3.44Å; A3-Y82 VanDerWaalsContact CB-CD2 3.44Å; A3-Y82 HydrophobicContact CB-CE1 3.79Å; A3-Y82 HydrophobicContact CB-CE2 3.21Å; A3-Y82 HydrophobicContact CB-CG 3.8Å
4S88.3Confident84.5Confident60 Ų6068.7 Ų68.742%0.4237%0.374SS..PPolyproline II helixtrans-70.8146178.1-179.80000110.2K6 E7 S8S4-K6 PolarHBondContact O-N 3.21Å; S4-K6 VanDerWaalsContact O-N 3.15Å; S4-K6 PolarHBondContact OG-N 3.13Å; S4-E7 PolarHBondContact N-OE2 3.2Å; S4-E7 WeakPolarHBondContact O-CB 3.44Å; S4-E7 PolarHBondContact O-N 2.9Å; S4-S8 PolarHBondContact O-N 3.36Å; S4-S8 VanDerWaalsContact O-N 3.1Å; S4-S8 PolarHBondContact O-OG 2.81Å
5V91.8Very high84.8Confident53 Ų5364.2 Ų64.232%0.32135%0.349SS..Hα-helixtrans-54.9-33.7172174.10000110.8S8 L9 L51 H78V5-S8 PolarHBondContact O-N 2.87Å; V5-L9 HydrophobicContact CG1-CD1 3.89Å; V5-L9 HydrophobicContact CG1-CG 4.24Å; V5-L9 WeakPolarHBondContact O-CB 3.35Å; V5-L9 VanDerWaalsContact O-CG 3.24Å; V5-L9 WeakPolarHBondContact O-CG 3.33Å; V5-L9 PolarHBondContact O-N 2.76Å; V5-L51 HydrophobicContact CG1-CD1 4.06Å; V5-H78 HydrophobicContact CG1-CB 4.22Å
6K92.2Very high85.3Confident92 Ų9260.3 Ų60.340%0.433%0.327SS..Hα-helixtrans-64.6-41.2176.4-68.5-168.2174.1-1660112.8S4 L9 Q10 Y43 L44S4-K6 PolarHBondContact O-N 3.21Å; S4-K6 VanDerWaalsContact O-N 3.15Å; S4-K6 PolarHBondContact OG-N 3.13Å; K6-L9 PolarHBondContact O-N 3.05Å; K6-Q10 WeakPolarHBondContact O-CG 3.39Å; K6-Q10 PolarHBondContact O-N 3.32Å; K6-Y43 HydrophobicContact CG-CE1 4.06Å; K6-L44 HydrophobicContact CB-CD2 3.87Å; K6-L44 HydrophobicContact CG-CD2 4.15Å; K6-L44 WeakPolarHBondContact O-CD2 3.29Å
7E92.8Very high85.4Confident95 Ų9563.2 Ų63.244%0.44434%0.338SS..Hα-helixtrans-65.7-43.2177.1-67.5171.215100110.7S4 L9 Q10 L11S4-E7 PolarHBondContact N-OE2 3.2Å; S4-E7 WeakPolarHBondContact O-CB 3.44Å; S4-E7 PolarHBondContact O-N 2.9Å; E7-L9 PolarHBondContact O-N 2.9Å; E7-Q10 PolarHBondContact O-N 3.01Å; E7-L11 WeakPolarHBondContact O-CG 3.43Å; E7-L11 PolarHBondContact O-N 3.47Å; E7-L11 VanDerWaalsContact O-N 3.08Å
8S94.4Very high85.3Confident3 Ų363.9 Ų63.92%0.02134%0.341CS..Hα-helixtrans-59.4-45.7176.4-60.10000111.6S4 V5 Q10 L11 Q12 H78 Y80 Y82S4-S8 PolarHBondContact O-N 3.36Å; S4-S8 VanDerWaalsContact O-N 3.1Å; S4-S8 PolarHBondContact O-OG 2.81Å; V5-S8 PolarHBondContact O-N 2.87Å; S8-Q10 PolarHBondContact O-N 3.14Å; S8-L11 PolarHBondContact O-N 3.05Å; S8-Q12 WeakPolarHBondContact O-CG 3.46Å; S8-Q12 PolarHBondContact O-N 3.11Å; S8-H78 WeakPolarHBondContact CB-O 3.32Å; S8-Y80 WeakPolarHBondContact CB-O 3.44Å; S8-Y82 WeakPolarHBondContact OG-CD2 3.35Å
9L95.7Very high85.3Confident0 Ų060.6 Ų60.60%032%0.323CS..Hα-helixtrans-66.5-33.1177.7-72.2174.7000113.2V5 K6 E7 L13 I40 Y43 L44 P52V5-L9 HydrophobicContact CG1-CD1 3.89Å; V5-L9 HydrophobicContact CG1-CG 4.24Å; V5-L9 WeakPolarHBondContact O-CB 3.35Å; V5-L9 VanDerWaalsContact O-CG 3.24Å; V5-L9 WeakPolarHBondContact O-CG 3.33Å; V5-L9 PolarHBondContact O-N 2.76Å; K6-L9 PolarHBondContact O-N 3.05Å; E7-L9 PolarHBondContact O-N 2.9Å; L9-L13 WeakPolarHBondContact O-CG 3.26Å; L9-L13 PolarHBondContact O-N 3.18Å; L9-L13 VanDerWaalsContact O-N 3.09Å; L9-I40 HydrophobicContact CB-CG2 3.84Å; L9-I40 HydrophobicContact CD1-CG2 4.32Å; L9-I40 HydrophobicContact CD2-CD1 4.15Å; L9-I40 HydrophobicContact CD2-CG1 4.19Å; L9-I40 HydrophobicContact CD2-CG2 3.99Å; L9-I40 HydrophobicContact CG-CG2 4.27Å; L9-Y43 HydrophobicContact CD1-CD1 3.64Å; L9-Y43 HydrophobicContact CD1-CE1 3.83Å; L9-L44 HydrophobicContact CB-CD1 4.42Å; L9-L44 HydrophobicContact CB-CD2 4.1Å; L9-L44 HydrophobicContact CB-CG 4.48Å; L9-P52 HydrophobicContact CD1-CG 3.99Å
10Q94.4Very high85.3Confident112 Ų11261.8 Ų61.852%0.52333%0.325SS..Hα-helixtrans-65.3-45.6173.6-77.7172.5-18.700111.6K6 E7 S8 Q12 L13 L14 L44K6-Q10 WeakPolarHBondContact O-CG 3.39Å; K6-Q10 PolarHBondContact O-N 3.32Å; E7-Q10 PolarHBondContact O-N 3.01Å; S8-Q10 PolarHBondContact O-N 3.14Å; Q10-Q12 VanDerWaalsContact C-N 3.31Å; Q10-Q12 PolarHBondContact O-N 3.38Å; Q10-L13 PolarHBondContact O-N 3.12Å; Q10-L14 PolarHBondContact O-N 3.26Å; Q10-L44 HydrophobicContact CG-CD1 3.76Å; Q10-L44 HydrophobicContact CG-CD2 3.94Å; Q10-L44 HydrophobicContact CG-CG 4.47Å
11L90.9Very high85.2Confident46 Ų4663.6 Ų63.624%0.24134%0.343CS..Hα-helixtrans-63-38.7176.9-69.6174.1000111.8E7 S8 L14 E15 P81 Y82 L118E7-L11 WeakPolarHBondContact O-CG 3.43Å; E7-L11 PolarHBondContact O-N 3.47Å; E7-L11 VanDerWaalsContact O-N 3.08Å; S8-L11 PolarHBondContact O-N 3.05Å; L11-L14 WeakPolarHBondContact O-CB 3.49Å; L11-L14 PolarHBondContact O-N 3.42Å; L11-E15 PolarHBondContact O-N 3.03Å; L11-P81 HydrophobicContact CB-CG 4.26Å; L11-P81 HydrophobicContact CD1-CG 3.68Å; L11-Y82 HydrophobicContact CD1-CE2 4.18Å; L11-L118 HydrophobicContact CB-CD2 4.18Å
12Q95.4Very high86.9Confident0 Ų056.9 Ų56.90%031%0.31CS..Hα-helixtrans-60.6-45.1173.3-79.3175.943.300112.9S8 Q10 L14 E15 M16 I55 M76 P77 Y80S8-Q12 WeakPolarHBondContact O-CG 3.46Å; S8-Q12 PolarHBondContact O-N 3.11Å; Q10-Q12 VanDerWaalsContact C-N 3.31Å; Q10-Q12 PolarHBondContact O-N 3.38Å; Q12-L14 VanDerWaalsContact C-N 3.34Å; Q12-L14 PolarHBondContact O-N 3.28Å; Q12-E15 PolarHBondContact O-N 3.4Å; Q12-M16 WeakPolarHBondContact O-CG 3.38Å; Q12-M16 PolarHBondContact O-N 2.98Å; Q12-I55 HydrophobicContact CB-CD1 3.82Å; Q12-M76 HydrophobicContact CB-SD 4.38Å; Q12-M76 HydrophobicContact CG-CB 4.34Å; Q12-M76 HydrophobicContact CG-SD 4.07Å; Q12-P77 PolarHBondContact NE2-O 3.46Å; Q12-Y80 HydrophobicContact CG-CD1 3.67Å; Q12-Y80 HydrophobicContact CG-CE1 4.26Å; Q12-Y80 PolarHBondContact NE2-O 3.47Å
13L94.6Very high88.2Confident16 Ų1652.2 Ų52.28%0.08427%0.274CS..Hα-helixtrans-63-41.5176.3-73-179.5000111.8L9 Q10 E15 M16 E17 L37 I40 K41 L44L9-L13 WeakPolarHBondContact O-CG 3.26Å; L9-L13 PolarHBondContact O-N 3.18Å; L9-L13 VanDerWaalsContact O-N 3.09Å; Q10-L13 PolarHBondContact O-N 3.12Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-E15 PolarHBondContact O-N 2.85Å; L13-M16 PolarHBondContact O-N 3.05Å; L13-E17 WeakPolarHBondContact O-CG 3.44Å; L13-E17 PolarHBondContact O-N 3.3Å; L13-L37 HydrophobicContact CD2-CB 4.16Å; L13-L37 HydrophobicContact CD2-CD2 4.06Å; L13-I40 HydrophobicContact CD1-CG2 3.91Å; L13-I40 HydrophobicContact CD2-CB 4.34Å; L13-I40 HydrophobicContact CD2-CG2 4.13Å; L13-I40 HydrophobicContact CG-CG2 3.92Å; L13-K41 HydrophobicContact CD1-CG 3.63Å; L13-K41 HydrophobicContact CD2-CG 4.41Å; L13-L44 HydrophobicContact CD1-CD1 3.61Å
14L90.2Very high88.6Confident88 Ų8855.4 Ų55.446%0.46129%0.292SS..Hα-helixtrans-59-45.8175.8-177.972.2000111.2Q10 L11 Q12 M16 E17 M18 L118Q10-L14 PolarHBondContact O-N 3.26Å; L11-L14 WeakPolarHBondContact O-CB 3.49Å; L11-L14 PolarHBondContact O-N 3.42Å; Q12-L14 VanDerWaalsContact C-N 3.34Å; Q12-L14 PolarHBondContact O-N 3.28Å; L14-M16 VanDerWaalsContact C-N 3.34Å; L14-M16 PolarHBondContact O-N 3.36Å; L14-E17 PolarHBondContact O-N 3.14Å; L14-M18 WeakPolarHBondContact O-CG 3.46Å; L14-M18 PolarHBondContact O-N 2.95Å; L14-L118 HydrophobicContact CD2-CD1 4.4Å
15E90.1Very high88.1Confident1 Ų157.3 Ų57.31%0.00530%0.298CS..Hα-helixtrans-63.8-39.7178.2-164.3170.8-15300112.3L11 Q12 L13 E17 M18 L19 M76 Y80 L118 C119 V120L11-E15 PolarHBondContact O-N 3.03Å; Q12-E15 PolarHBondContact O-N 3.4Å; L13-E15 VanDerWaalsContact C-N 3.34Å; L13-E15 PolarHBondContact O-N 2.85Å; E15-E17 VanDerWaalsContact C-N 3.32Å; E15-E17 PolarHBondContact O-N 3.41Å; E15-M18 HydrophobicContact CB-CE 4.22Å; E15-M18 HydrophobicContact CG-CE 4.13Å; E15-M18 WeakPolarHBondContact O-CB 3.43Å; E15-M18 PolarHBondContact O-N 3.37Å; E15-L19 HydrophobicContact CG-CD1 4.32Å; E15-L19 VanDerWaalsContact O-CG 3.3Å; E15-L19 WeakPolarHBondContact O-CG 3.25Å; E15-L19 PolarHBondContact O-N 3.18Å; E15-M76 HydrophobicContact CG-CE 4.49Å; E15-M76 WeakPolarHBondContact OE2-CE 3.47Å; E15-Y80 PolarHBondContact OE1-OH 2.83Å; E15-Y80 VanDerWaalsContact OE1-OH 3.1Å; E15-Y80 WeakPolarHBondContact OE2-CE1 3.18Å; E15-Y80 PolarHBondContact OE2-OH 2.95Å; E15-L118 HydrophobicContact CB-CD1 3.99Å; E15-L118 HydrophobicContact CB-CD2 4.07Å; E15-L118 HydrophobicContact CG-CB 4.41Å; E15-L118 HydrophobicContact CG-CD1 4.34Å; E15-L118 HydrophobicContact CG-CD2 4.47Å; E15-C119 PolarHBondContact OE1-N 2.94Å; E15-V120 HydrophobicContact CG-CB 4.5Å; E15-V120 VanDerWaalsContact OE1-CB 3.23Å; E15-V120 WeakPolarHBondContact OE1-CB 3.22Å; E15-V120 WeakPolarHBondContact OE1-CG2 3.35Å; E15-V120 PolarHBondContact OE1-N 2.91Å
16M92.6Very high87.1Confident1 Ų164.4 Ų64.41%0.00533%0.327CS..Hα-helixtrans-62-39.8174.5-68.5-56.2-5500112.3Q12 L13 L14 L19 F20 V29 L31 L37 I55 F57 M76Q12-M16 WeakPolarHBondContact O-CG 3.38Å; Q12-M16 PolarHBondContact O-N 2.98Å; L13-M16 PolarHBondContact O-N 3.05Å; L14-M16 VanDerWaalsContact C-N 3.34Å; L14-M16 PolarHBondContact O-N 3.36Å; M16-L19 PolarHBondContact O-N 3.33Å; M16-L19 HydrophobicContact SD-CD1 4.08Å; M16-F20 HydrophobicContact CB-CE2 4.34Å; M16-F20 HydrophobicContact CE-CE2 4.13Å; M16-F20 HydrophobicContact CE-CZ 3.94Å; M16-F20 WeakPolarHBondContact O-CD2 3.06Å; M16-F20 WeakPolarHBondContact O-CG 3.1Å; M16-F20 PolarHBondContact O-N 3.09Å; M16-V29 HydrophobicContact CE-CG1 4.21Å; M16-L31 HydrophobicContact CE-CD2 3.8Å; M16-L37 HydrophobicContact CB-CD1 4.45Å; M16-L37 HydrophobicContact CB-CD2 4.39Å; M16-L37 HydrophobicContact CG-CD2 3.94Å; M16-I55 HydrophobicContact CE-CG2 4.48Å; M16-I55 HydrophobicContact CG-CD1 4.01Å; M16-I55 HydrophobicContact CG-CG2 4.23Å; M16-I55 HydrophobicContact SD-CG2 3.88Å; M16-F57 HydrophobicContact CE-CD1 4.27Å; M16-F57 HydrophobicContact CE-CD2 4.47Å; M16-F57 HydrophobicContact CE-CE1 4.25Å; M16-F57 HydrophobicContact CE-CE2 4.42Å; M16-F57 HydrophobicContact CE-CG 4.37Å; M16-F57 HydrophobicContact CE-CZ 4.31Å; M16-F57 HydrophobicContact SD-CD1 4.01Å; M16-F57 HydrophobicContact SD-CE1 3.48Å; M16-F57 WeakPolarHBondContact SD-CE1 3.45Å; M16-F57 HydrophobicContact SD-CE2 4.28Å; M16-F57 HydrophobicContact SD-CZ 3.62Å; M16-M76 HydrophobicContact SD-CE 4.06Å; M16-M76 HydrophobicContact SD-SD 4.4Å
17E87.3Confident86.1Confident110 Ų11061.9 Ų61.951%0.51433%0.327SS..Hα-helixtrans-63.4-40.4175-71.6176.4-178.600111.8L13 L14 E15 S21 K41L13-E17 WeakPolarHBondContact O-CG 3.44Å; L13-E17 PolarHBondContact O-N 3.3Å; L14-E17 PolarHBondContact O-N 3.14Å; E15-E17 VanDerWaalsContact C-N 3.32Å; E15-E17 PolarHBondContact O-N 3.41Å; E17-S21 PolarHBondContact O-N 2.66Å; E17-K41 IonicContact OE1-NZ 3.96Å
18M82.1Confident85.6Confident77 Ų7759.4 Ų59.438%0.37932%0.315SS..Hα-helixtrans-62.5-44.6172.9-67.1-169.1-65.600111.9L14 E15 S21 M22 L118L14-M18 WeakPolarHBondContact O-CG 3.46Å; L14-M18 PolarHBondContact O-N 2.95Å; E15-M18 HydrophobicContact CB-CE 4.22Å; E15-M18 HydrophobicContact CG-CE 4.13Å; E15-M18 WeakPolarHBondContact O-CB 3.43Å; E15-M18 PolarHBondContact O-N 3.37Å; M18-S21 WeakPolarHBondContact O-CB 3.29Å; M18-S21 PolarHBondContact O-N 2.94Å; M18-S21 VanDerWaalsContact O-N 3.14Å; M18-M22 WeakPolarHBondContact O-CG 3.16Å; M18-M22 PolarHBondContact O-N 3.11Å; M18-L118 HydrophobicContact CE-CD1 3.42Å; M18-L118 VanDerWaalsContact CE-CD1 3.42Å
19L85.1Confident85.4Confident0 Ų060.1 Ų60.10%032%0.32CS..Hα-helixtrans-63.4-42.6179.4-70.8168.6000112E15 M16 S21 M22 F23 F57 I59 V120 I124E15-L19 HydrophobicContact CG-CD1 4.32Å; E15-L19 VanDerWaalsContact O-CG 3.3Å; E15-L19 WeakPolarHBondContact O-CG 3.25Å; E15-L19 PolarHBondContact O-N 3.18Å; M16-L19 PolarHBondContact O-N 3.33Å; M16-L19 HydrophobicContact SD-CD1 4.08Å; L19-S21 PolarHBondContact O-N 3.34Å; L19-M22 PolarHBondContact O-N 3.34Å; L19-F23 HydrophobicContact CD2-CD2 4.47Å; L19-F23 HydrophobicContact CD2-CE2 4.19Å; L19-F23 WeakPolarHBondContact O-CD2 3.3Å; L19-F23 PolarHBondContact O-N 3.41Å; L19-F57 HydrophobicContact CD1-CE2 3.84Å; L19-F57 HydrophobicContact CD1-CZ 3.66Å; L19-I59 HydrophobicContact CD2-CD1 4.19Å; L19-V120 HydrophobicContact CD1-CB 4.32Å; L19-V120 HydrophobicContact CD1-CG1 3.87Å; L19-V120 HydrophobicContact CD2-CG1 4.06Å; L19-I124 HydrophobicContact CD2-CD1 3.67Å
20F86.1Confident85.2Confident85 Ų8565.8 Ų65.837%0.37334%0.344SS..Hα-helixtrans-63.8-29.3174.9-69.7-51.1000113.1M16 F23 V29 L31 L37M16-F20 HydrophobicContact CB-CE2 4.34Å; M16-F20 HydrophobicContact CE-CE2 4.13Å; M16-F20 HydrophobicContact CE-CZ 3.94Å; M16-F20 WeakPolarHBondContact O-CD2 3.06Å; M16-F20 WeakPolarHBondContact O-CG 3.1Å; M16-F20 PolarHBondContact O-N 3.09Å; F20-F23 CarbonylContact O-C 3.55Å; F20-V29 HydrophobicContact CD1-CB 4.38Å; F20-V29 HydrophobicContact CD1-CG1 4.47Å; F20-V29 HydrophobicContact CE1-CB 4.14Å; F20-V29 HydrophobicContact CE1-CG1 3.92Å; F20-L31 HydrophobicContact CZ-CD1 4.45Å; F20-L37 HydrophobicContact CE2-CD1 3.68Å; F20-L37 HydrophobicContact CZ-CD1 4.07Å
21S83.3Confident85.2Confident100 Ų10062.1 Ų62.170%0.69933%0.328SS*.Hα-helixtrans-72.8-40.7173.7-170.10000112.1E17 M18 L19E17-S21 PolarHBondContact O-N 2.66Å; M18-S21 WeakPolarHBondContact O-CB 3.29Å; M18-S21 PolarHBondContact O-N 2.94Å; M18-S21 VanDerWaalsContact O-N 3.14Å; L19-S21 PolarHBondContact O-N 3.34Å
22M77.3Confident85.2Confident101 Ų10166.1 Ų66.150%0.49835%0.346SS..Hα-helixtrans-70.5-31.1178.1-70.8176.964.400113.2M18 L19 P24 C121M18-M22 WeakPolarHBondContact O-CG 3.16Å; M18-M22 PolarHBondContact O-N 3.11Å; L19-M22 PolarHBondContact O-N 3.34Å; M22-P24 VanDerWaalsContact C-CD 3.44Å; M22-P24 VanDerWaalsContact O-CD 3.23Å; M22-P24 WeakPolarHBondContact O-CD 3.14Å; M22-C121 HydrophobicContact CE-CB 4.48Å; M22-C121 HydrophobicContact SD-CB 4.33Å
23F80.6Confident85Confident25 Ų2569 Ų6911%0.1136%0.361CS..  trans-117.874.6-178.4-64.9-77.4000110.6L19 F20 N25 E28 V29 I59 L61 I124L19-F23 HydrophobicContact CD2-CD2 4.47Å; L19-F23 HydrophobicContact CD2-CE2 4.19Å; L19-F23 WeakPolarHBondContact O-CD2 3.3Å; L19-F23 PolarHBondContact O-N 3.41Å; F20-F23 CarbonylContact O-C 3.55Å; F23-N25 PolarHBondContact O-N 3.34Å; F23-E28 VanDerWaalsContact CA-OE2 3.32Å; F23-E28 WeakPolarHBondContact CA-OE2 3.38Å; F23-E28 HydrophobicContact CB-CB 3.89Å; F23-E28 WeakPolarHBondContact CB-OE2 3.45Å; F23-E28 HydrophobicContact CD1-CB 4.12Å; F23-E28 HydrophobicContact CG-CB 4.34Å; F23-V29 HydrophobicContact CB-CG2 3.76Å; F23-V29 HydrophobicContact CD2-CG2 3.99Å; F23-V29 HydrophobicContact CG-CG2 4.03Å; F23-I59 HydrophobicContact CE1-CG2 4.17Å; F23-I59 HydrophobicContact CE2-CG2 4.2Å; F23-I59 HydrophobicContact CZ-CG2 4Å; F23-L61 HydrophobicContact CE1-CD2 4.01Å; F23-L61 HydrophobicContact CZ-CD2 3.92Å; F23-I124 HydrophobicContact CE2-CD1 3.53Å; F23-I124 HydrophobicContact CZ-CD1 3.79Å; F23-I124 HydrophobicContact CZ-CG2 3.95Å
24P74.6Confident84.7Confident99 Ų9973.5 Ų73.564%0.64339%0.389SS*.  trans-72.1-14-174.630.3-36.6000113M22M22-P24 VanDerWaalsContact C-CD 3.44Å; M22-P24 VanDerWaalsContact O-CD 3.23Å; M22-P24 WeakPolarHBondContact O-CD 3.14Å
25N79Confident84.9Confident99 Ų9973.5 Ų73.553%0.52939%0.389SS..SBendtrans-79.1138.4-175.7-54.5-51.1000111.2F23 G27 E28F23-N25 PolarHBondContact O-N 3.34Å; N25-G27 PolarHBondContact O-N 2.82Å; N25-G27 VanDerWaalsContact O-N 3.14Å; N25-E28 VanDerWaalsContact CB-CD 3.49Å; N25-E28 HydrophobicContact CB-CG 3.94Å; N25-E28 WeakPolarHBondContact CB-OE2 3.32Å; N25-E28 PolarHBondContact N-OE2 3.49Å; N25-E28 VanDerWaalsContact ND2-CD 3.33Å; N25-E28 PolarHBondContact ND2-OE1 3.03Å; N25-E28 PolarHBondContact ND2-OE2 2.9Å; N25-E28 PolarHBondContact O-N 2.84Å
26Q70.1Confident85Confident203 Ų20373.5 Ų73.595%0.94939%0.39SS*.THydrogen-bonded Turntrans-59118.1175.8-72.4-94.6-29.800110.5
27G72.1Confident85.1Confident38 Ų3874.6 Ų74.639%0.39240%0.395SS..THydrogen-bonded Turntrans93.95.2174.800000116.2N25 K30N25-G27 PolarHBondContact O-N 2.82Å; N25-G27 VanDerWaalsContact O-N 3.14Å; G27-K30 WeakPolarHBondContact O-CE 3.3Å
28E81.3Confident85.5Confident43 Ų4373 Ų7320%0.20139%0.393CS..SBendtrans-72.7-43.6171.2-77.9178.9158.200112.1F23 N25 I59 T60F23-E28 VanDerWaalsContact CA-OE2 3.32Å; F23-E28 WeakPolarHBondContact CA-OE2 3.38Å; F23-E28 HydrophobicContact CB-CB 3.89Å; F23-E28 WeakPolarHBondContact CB-OE2 3.45Å; F23-E28 HydrophobicContact CD1-CB 4.12Å; F23-E28 HydrophobicContact CG-CB 4.34Å; N25-E28 VanDerWaalsContact CB-CD 3.49Å; N25-E28 HydrophobicContact CB-CG 3.94Å; N25-E28 WeakPolarHBondContact CB-OE2 3.32Å; N25-E28 PolarHBondContact N-OE2 3.49Å; N25-E28 VanDerWaalsContact ND2-CD 3.33Å; N25-E28 PolarHBondContact ND2-OE1 3.03Å; N25-E28 PolarHBondContact ND2-OE2 2.9Å; N25-E28 PolarHBondContact O-N 2.84Å; E28-I59 CarbonylContact O-C 3.59Å; E28-I59 VanDerWaalsContact O-CA 3.29Å; E28-I59 WeakPolarHBondContact O-CA 3.24Å; E28-T60 PolarHBondContact O-N 2.84Å
29V90.3Very high86.1Confident19 Ų1970.8 Ų70.812%0.11538%0.383CS..EExtended strand (participates in β ladder)trans-108.2115.9173.2-177.60000108.7M16 F20 F23 F57 I59M16-V29 HydrophobicContact CE-CG1 4.21Å; F20-V29 HydrophobicContact CD1-CB 4.38Å; F20-V29 HydrophobicContact CD1-CG1 4.47Å; F20-V29 HydrophobicContact CE1-CB 4.14Å; F20-V29 HydrophobicContact CE1-CG1 3.92Å; F23-V29 HydrophobicContact CB-CG2 3.76Å; F23-V29 HydrophobicContact CD2-CG2 3.99Å; F23-V29 HydrophobicContact CG-CG2 4.03Å; V29-F57 HydrophobicContact CG1-CD2 3.77Å; V29-F57 HydrophobicContact CG1-CE2 4.26Å; V29-I59 HydrophobicContact CG2-CG1 4.42Å
30K92.4Very high86.6Confident118 Ų11870.8 Ų70.851%0.51338%0.383SS..EExtended strand (participates in β ladder)trans-117108.8-178.8-63.4-176.5-176.3-1780110.2G27 F57 V58G27-K30 WeakPolarHBondContact O-CE 3.3Å; K30-F57 CarbonylContact O-C 3.47Å; K30-F57 WeakPolarHBondContact O-CA 3.43Å; K30-F57 WeakPolarHBondContact O-CB 3.39Å; K30-V58 PolarHBondContact N-O 2.8Å; K30-V58 PolarHBondContact O-N 3.21Å
31L92.9Very high87.1Confident36 Ų3671 Ų7119%0.18838%0.384CS..EExtended strand (participates in β ladder)trans-66.9137.4170.1-67.1172.6000110.2M16 F20 L37 I55 F57M16-L31 HydrophobicContact CE-CD2 3.8Å; F20-L31 HydrophobicContact CZ-CD1 4.45Å; L31-L37 HydrophobicContact CD1-CD1 3.85Å; L31-L37 HydrophobicContact CD1-CG 3.93Å; L31-L37 HydrophobicContact CD2-CD2 4.49Å; L31-L37 HydrophobicContact CD2-CG 4.48Å; L31-I55 HydrophobicContact CD2-CG2 4.18Å; L31-F57 HydrophobicContact CD2-CB 3.99Å
32E91.1Very high87.7Confident130 Ų13071.9 Ų71.961%0.60737%0.372SS*.SBendtrans-68.2-40.8171-66.3-64.9149.500110.7E56E32-E56 HydrophobicContact CB-CB 4.13Å; E32-E56 HydrophobicContact CG-CB 3.9Å; E32-E56 PolarHBondContact N-O 2.9Å
33D91.2Very high88.5Confident61 Ų6169 Ų6933%0.32636%0.356SS..SBendtrans-117.7111.8169.1175.118000110.4N35 A36D33-N35 PolarHBondContact O-N 2.82Å; D33-N35 VanDerWaalsContact O-N 3.13Å; D33-N35 WeakPolarHBondContact OD1-CB 3.24Å; D33-N35 PolarHBondContact OD1-N 3.31Å; D33-A36 HydrophobicContact CB-CB 4.19Å; D33-A36 VanDerWaalsContact O-CB 3.26Å; D33-A36 WeakPolarHBondContact O-CB 3.24Å; D33-A36 PolarHBondContact O-N 2.84Å; D33-A36 PolarHBondContact OD2-N 2.66Å
34V89.1Confident89.2Confident110 Ų11069.6 Ų69.667%0.66736%0.36SS*.THydrogen-bonded Turntrans-60.4-21.7177.9-61.60000113.3
35N93.3Very high90.1Very high87 Ų8771.4 Ų71.447%0.46536%0.36SS..THydrogen-bonded Turntrans-94.2-3.4179.3-59.2-64.1000113.2D33 L37 T38 N39D33-N35 PolarHBondContact O-N 2.82Å; D33-N35 VanDerWaalsContact O-N 3.13Å; D33-N35 WeakPolarHBondContact OD1-CB 3.24Å; D33-N35 PolarHBondContact OD1-N 3.31Å; N35-L37 PolarHBondContact O-N 2.78Å; N35-T38 PolarHBondContact O-N 3.14Å; N35-N39 WeakPolarHBondContact O-CB 3.48Å; N35-N39 PolarHBondContact O-N 2.8Å; N35-N39 PolarHBondContact O-ND2 2.8Å
36A93.3Very high90.7Very high2 Ų269.1 Ų69.12%0.01736%0.359CS..Hα-helixtrans-55.9-49.9-175.700000111.5D33 T38 N39 I40 P53D33-A36 HydrophobicContact CB-CB 4.19Å; D33-A36 VanDerWaalsContact O-CB 3.26Å; D33-A36 WeakPolarHBondContact O-CB 3.24Å; D33-A36 PolarHBondContact O-N 2.84Å; D33-A36 PolarHBondContact OD2-N 2.66Å; A36-T38 PolarHBondContact O-N 2.94Å; A36-N39 PolarHBondContact O-N 2.9Å; A36-I40 VanDerWaalsContact O-CG1 3.3Å; A36-I40 WeakPolarHBondContact O-CG1 3.34Å; A36-I40 PolarHBondContact O-N 2.88Å; A36-P53 HydrophobicContact CB-CG 4.31Å
37L94.4Very high91.8Very high23 Ų2363.6 Ų63.612%0.1234%0.339CS..Hα-helixtrans-63.4-41.2-179.6-52-174.6000112L13 M16 F20 L31 N35 I40 K41 I55L13-L37 HydrophobicContact CD2-CB 4.16Å; L13-L37 HydrophobicContact CD2-CD2 4.06Å; M16-L37 HydrophobicContact CB-CD1 4.45Å; M16-L37 HydrophobicContact CB-CD2 4.39Å; M16-L37 HydrophobicContact CG-CD2 3.94Å; F20-L37 HydrophobicContact CE2-CD1 3.68Å; F20-L37 HydrophobicContact CZ-CD1 4.07Å; L31-L37 HydrophobicContact CD1-CD1 3.85Å; L31-L37 HydrophobicContact CD1-CG 3.93Å; L31-L37 HydrophobicContact CD2-CD2 4.49Å; L31-L37 HydrophobicContact CD2-CG 4.48Å; N35-L37 PolarHBondContact O-N 2.78Å; L37-I40 PolarHBondContact O-N 3.44Å; L37-K41 WeakPolarHBondContact O-CG 3.31Å; L37-K41 PolarHBondContact O-N 2.86Å; L37-I55 HydrophobicContact CD2-CD1 3.66Å; L37-I55 HydrophobicContact CD2-CG1 4.11Å; L37-I55 HydrophobicContact CD2-CG2 4.15Å
38T95.6Very high92.7Very high76 Ų7665.6 Ų65.647%0.46634%0.335SS..Hα-helixtrans-63.4-42.8177.2-54.60000111.4N35 A36 I40 K41 R42N35-T38 PolarHBondContact O-N 3.14Å; A36-T38 PolarHBondContact O-N 2.94Å; T38-I40 VanDerWaalsContact C-N 3.32Å; T38-I40 PolarHBondContact O-N 3.23Å; T38-K41 PolarHBondContact O-N 3.01Å; T38-R42 WeakPolarHBondContact O-CG 3.33Å; T38-R42 PolarHBondContact O-N 3.28Å
39N95.4Very high93.1Very high31 Ų3172.6 Ų72.617%0.16637%0.368CS..Hα-helixtrans-64.8-37.3177.4-75-38.9000112N35 A36 Y43 P52N35-N39 WeakPolarHBondContact O-CB 3.48Å; N35-N39 PolarHBondContact O-N 2.8Å; N35-N39 PolarHBondContact O-ND2 2.8Å; A36-N39 PolarHBondContact O-N 2.9Å; N39-Y43 PolarHBondContact O-N 3.34Å; N39-P52 HydrophobicContact CB-CB 4.16Å
40I95.8Very high93.2Very high0 Ų074.3 Ų74.30%038%0.384CS..Hα-helixtrans-66.2-46.7174.8-66.3167.8000110.8L9 L13 A36 L37 T38 R42 Y43 L44 P52 I55L9-I40 HydrophobicContact CB-CG2 3.84Å; L9-I40 HydrophobicContact CD1-CG2 4.32Å; L9-I40 HydrophobicContact CD2-CD1 4.15Å; L9-I40 HydrophobicContact CD2-CG1 4.19Å; L9-I40 HydrophobicContact CD2-CG2 3.99Å; L9-I40 HydrophobicContact CG-CG2 4.27Å; L13-I40 HydrophobicContact CD1-CG2 3.91Å; L13-I40 HydrophobicContact CD2-CB 4.34Å; L13-I40 HydrophobicContact CD2-CG2 4.13Å; L13-I40 HydrophobicContact CG-CG2 3.92Å; A36-I40 VanDerWaalsContact O-CG1 3.3Å; A36-I40 WeakPolarHBondContact O-CG1 3.34Å; A36-I40 PolarHBondContact O-N 2.88Å; L37-I40 PolarHBondContact O-N 3.44Å; T38-I40 VanDerWaalsContact C-N 3.32Å; T38-I40 PolarHBondContact O-N 3.23Å; I40-R42 VanDerWaalsContact C-N 3.32Å; I40-R42 PolarHBondContact O-N 3.48Å; I40-Y43 WeakPolarHBondContact O-CB 3.42Å; I40-Y43 PolarHBondContact O-N 3.28Å; I40-Y43 VanDerWaalsContact O-N 3.11Å; I40-L44 HydrophobicContact CG2-CD1 4.06Å; I40-L44 HydrophobicContact CG2-CG 4.4Å; I40-L44 WeakPolarHBondContact O-CG 3.43Å; I40-L44 PolarHBondContact O-N 2.94Å; I40-P52 HydrophobicContact CB-CB 4.48Å; I40-P52 HydrophobicContact CB-CG 4.42Å; I40-P52 HydrophobicContact CG1-CB 3.7Å; I40-P52 HydrophobicContact CG1-CG 3.71Å; I40-I55 HydrophobicContact CD1-CD1 3.59Å; I40-I55 HydrophobicContact CD1-CG1 3.28Å
41K95.3Very high93.2Very high91 Ų9172.9 Ų72.940%0.39638%0.381SS..Hα-helixtrans-55.2-47.3175.9-72.9178.3-179.4-169.80111.5L13 E17 L37 T38 Y43 L44 E45L13-K41 HydrophobicContact CD1-CG 3.63Å; L13-K41 HydrophobicContact CD2-CG 4.41Å; E17-K41 IonicContact OE1-NZ 3.96Å; L37-K41 WeakPolarHBondContact O-CG 3.31Å; L37-K41 PolarHBondContact O-N 2.86Å; T38-K41 PolarHBondContact O-N 3.01Å; K41-Y43 VanDerWaalsContact C-N 3.34Å; K41-Y43 PolarHBondContact O-N 2.91Å; K41-L44 PolarHBondContact O-N 3.3Å; K41-E45 VanDerWaalsContact O-CG 3.29Å; K41-E45 WeakPolarHBondContact O-CG 3.46Å; K41-E45 PolarHBondContact O-N 2.96Å
42R95.8Very high93.2Very high117 Ų11771.4 Ų71.444%0.44237%0.374SS..Hα-helixtrans-61.3-38.3176.3-71.1179.767.7-179.32.8113.7T38 I40 G46 T47 R48T38-R42 WeakPolarHBondContact O-CG 3.33Å; T38-R42 PolarHBondContact O-N 3.28Å; I40-R42 VanDerWaalsContact C-N 3.32Å; I40-R42 PolarHBondContact O-N 3.48Å; R42-G46 PolarHBondContact O-N 2.84Å; R42-T47 WeakPolarHBondContact CA-OG1 3.05Å; R42-T47 WeakPolarHBondContact CB-OG1 3.45Å; R42-T47 PolarHBondContact O-N 3.14Å; R42-T47 PolarHBondContact O-OG1 3.36Å; R42-T47 VanDerWaalsContact O-OG1 3.12Å; R42-R48 HydrophobicContact CB-CB 4.1Å; R42-R48 PolarHBondContact O-N 2.91Å
43Y95.7Very high93.3Very high42 Ų4267.5 Ų67.517%0.16536%0.36CS..Hα-helixtrans-66.2-41.1175.6178.1-96.4000111.9K6 L9 N39 I40 K41 G46 R48 A50 L51 P52K6-Y43 HydrophobicContact CG-CE1 4.06Å; L9-Y43 HydrophobicContact CD1-CD1 3.64Å; L9-Y43 HydrophobicContact CD1-CE1 3.83Å; N39-Y43 PolarHBondContact O-N 3.34Å; I40-Y43 WeakPolarHBondContact O-CB 3.42Å; I40-Y43 PolarHBondContact O-N 3.28Å; I40-Y43 VanDerWaalsContact O-N 3.11Å; K41-Y43 VanDerWaalsContact C-N 3.34Å; K41-Y43 PolarHBondContact O-N 2.91Å; Y43-G46 PolarHBondContact O-N 3.21Å; Y43-R48 WeakPolarHBondContact CD2-O 3.43Å; Y43-A50 WeakPolarHBondContact CD2-O 3.4Å; Y43-L51 HydrophobicContact CE2-CD1 4.42Å; Y43-P52 HydrophobicContact CD1-CG 4.4Å; Y43-P52 HydrophobicContact CG-CG 4.18Å
44L93.9Very high93.5Very high36 Ų3668.4 Ų68.419%0.18836%0.361CS..Hα-helixtrans-66-40.3177-69.7173.3000112.3K6 L9 Q10 L13 I40 K41 G46K6-L44 HydrophobicContact CB-CD2 3.87Å; K6-L44 HydrophobicContact CG-CD2 4.15Å; K6-L44 WeakPolarHBondContact O-CD2 3.29Å; L9-L44 HydrophobicContact CB-CD1 4.42Å; L9-L44 HydrophobicContact CB-CD2 4.1Å; L9-L44 HydrophobicContact CB-CG 4.48Å; Q10-L44 HydrophobicContact CG-CD1 3.76Å; Q10-L44 HydrophobicContact CG-CD2 3.94Å; Q10-L44 HydrophobicContact CG-CG 4.47Å; L13-L44 HydrophobicContact CD1-CD1 3.61Å; I40-L44 HydrophobicContact CG2-CD1 4.06Å; I40-L44 HydrophobicContact CG2-CG 4.4Å; I40-L44 WeakPolarHBondContact O-CG 3.43Å; I40-L44 PolarHBondContact O-N 2.94Å; K41-L44 PolarHBondContact O-N 3.3Å; L44-G46 PolarHBondContact O-N 3.32Å
45E94.3Very high93.8Very high138 Ų13863.2 Ų63.265%0.64533%0.329SS*.THydrogen-bonded Turntrans-70.3-12.3174.8-69165.2-173.700113.5K41 T47K41-E45 VanDerWaalsContact O-CG 3.29Å; K41-E45 WeakPolarHBondContact O-CG 3.46Å; K41-E45 PolarHBondContact O-N 2.96Å; E45-T47 VanDerWaalsContact C-N 3.29Å; E45-T47 HydrophobicContact CB-CG2 4.24Å; E45-T47 PolarHBondContact O-N 3.19Å
46G91.7Very high94Very high50 Ų5062 Ų6252%0.51532%0.321SS..THydrogen-bonded Turntrans78.37.4-177.500000114.6R42 Y43 L44 R48R42-G46 PolarHBondContact O-N 2.84Å; Y43-G46 PolarHBondContact O-N 3.21Å; L44-G46 PolarHBondContact O-N 3.32Å; G46-R48 PolarHBondContact O-N 2.87Å
47T93Very high94.1Very high87 Ų8762 Ų6253%0.53432%0.321SS..SBendtrans-78.8-5.6175.864.50000113R42 E45R42-T47 WeakPolarHBondContact CA-OG1 3.05Å; R42-T47 WeakPolarHBondContact CB-OG1 3.45Å; R42-T47 PolarHBondContact O-N 3.14Å; R42-T47 PolarHBondContact O-OG1 3.36Å; R42-T47 VanDerWaalsContact O-OG1 3.12Å; E45-T47 VanDerWaalsContact C-N 3.29Å; E45-T47 HydrophobicContact CB-CG2 4.24Å; E45-T47 PolarHBondContact O-N 3.19Å
48R91.3Very high94.1Very high81 Ų8161.5 Ų61.531%0.30632%0.319SS..  trans-136.6123.4173.7177-174.7169.791.51109.3R42 Y43 G46 A50 L51R42-R48 HydrophobicContact CB-CB 4.1Å; R42-R48 PolarHBondContact O-N 2.91Å; Y43-R48 WeakPolarHBondContact CD2-O 3.43Å; G46-R48 PolarHBondContact O-N 2.87Å; R48-A50 WeakPolarHBondContact CD-O 3.41Å; R48-A50 HydrophobicContact CG-CB 4.47Å; R48-A50 WeakPolarHBondContact CG-O 3.32Å; R48-A50 PolarHBondContact NE-O 3.38Å; R48-L51 PolarHBondContact NH2-O 2.86Å; R48-L51 VanDerWaalsContact NH2-O 3.14Å
49E88.6Confident94Very high190 Ų19057.9 Ų57.989%0.88830%0.296SS*.  trans-83.6-33.8175.6-67.8-174.116300113.1
50A92.8Very high93.8Very high54 Ų5457.3 Ų57.345%0.44629%0.294SS..SBendtrans-68137.7-17900000111.3Y43 R48Y43-A50 WeakPolarHBondContact CD2-O 3.4Å; R48-A50 WeakPolarHBondContact CD-O 3.41Å; R48-A50 HydrophobicContact CG-CB 4.47Å; R48-A50 WeakPolarHBondContact CG-O 3.32Å; R48-A50 PolarHBondContact NE-O 3.38Å
51L92.4Very high93.5Very high88 Ų8857.4 Ų57.446%0.46130%0.295SS..PPolyproline II helixtrans-54.6133.4176.2-162.267.5000110V5 Y43 R48 H78V5-L51 HydrophobicContact CG1-CD1 4.06Å; Y43-L51 HydrophobicContact CE2-CD1 4.42Å; R48-L51 PolarHBondContact NH2-O 2.86Å; R48-L51 VanDerWaalsContact NH2-O 3.14Å; L51-H78 VanDerWaalsContact CD2-CE1 3.45Å; L51-H78 WeakPolarHBondContact CD2-CE1 3.48Å; L51-H78 VanDerWaalsContact CD2-ND1 3.32Å; L51-H78 WeakPolarHBondContact CD2-ND1 3.3Å
52P94.1Very high93.1Very high5 Ų558.4 Ų58.43%0.03230%0.3CS..PPolyproline II helixtrans-72.9166178.431.2-34.4000110.8L9 N39 I40 Y43 H78L9-P52 HydrophobicContact CD1-CG 3.99Å; N39-P52 HydrophobicContact CB-CB 4.16Å; I40-P52 HydrophobicContact CB-CB 4.48Å; I40-P52 HydrophobicContact CB-CG 4.42Å; I40-P52 HydrophobicContact CG1-CB 3.7Å; I40-P52 HydrophobicContact CG1-CG 3.71Å; Y43-P52 HydrophobicContact CD1-CG 4.4Å; Y43-P52 HydrophobicContact CG-CG 4.18Å; P52-H78 PolarHBondContact O-CE1 3.08Å; P52-H78 PolarHBondContact O-NE2 3.47Å; P52-H78 VanDerWaalsContact O-NE2 3.11Å
53P93.5Very high92.6Very high48 Ų4853.1 Ų53.131%0.31228%0.281SS..PPolyproline II helixtrans-64.7153.1166.730-35000110.6A36A36-P53 HydrophobicContact CB-CG 4.31Å
54K94.3Very high91.7Very high81 Ų8159.8 Ų59.835%0.35231%0.314SS..PPolyproline II helixtrans-65.7155.8170.551.6169.6174.5156.40111.1E56 T75 M76 H78K54-E56 HydrophobicContact CD-CG 4.11Å; K54-E56 VanDerWaalsContact CE-OE1 3.3Å; K54-E56 WeakPolarHBondContact CE-OE1 3.23Å; K54-E56 WeakPolarHBondContact CE-OE2 3.39Å; K54-E56 HydrophobicContact CG-CG 4.19Å; K54-E56 VanDerWaalsContact NZ-CD 3.26Å; K54-E56 IonicContact NZ-OE1 3.47Å; K54-E56 PolarHBondContact NZ-OE1 2.91Å; K54-E56 IonicContact NZ-OE2 3.58Å; K54-E56 PolarHBondContact NZ-OE2 2.97Å; K54-E56 PolarHBondContact O-N 2.77Å; K54-T75 HydrophobicContact CD-CG2 3.82Å; K54-M76 WeakPolarHBondContact CB-O 3.35Å; K54-H78 PolarHBondContact N-NE2 2.77Å
55I96.4Very high90.8Very high0 Ų066 Ų660%034%0.342CS..EExtended strand (participates in β ladder)trans-83.3119.4176.1-52.2-179.3000108.6Q12 M16 L31 L37 I40 F57 M76Q12-I55 HydrophobicContact CB-CD1 3.82Å; M16-I55 HydrophobicContact CE-CG2 4.48Å; M16-I55 HydrophobicContact CG-CD1 4.01Å; M16-I55 HydrophobicContact CG-CG2 4.23Å; M16-I55 HydrophobicContact SD-CG2 3.88Å; L31-I55 HydrophobicContact CD2-CG2 4.18Å; L37-I55 HydrophobicContact CD2-CD1 3.66Å; L37-I55 HydrophobicContact CD2-CG1 4.11Å; L37-I55 HydrophobicContact CD2-CG2 4.15Å; I40-I55 HydrophobicContact CD1-CD1 3.59Å; I40-I55 HydrophobicContact CD1-CG1 3.28Å; I55-F57 HydrophobicContact CG2-CD1 3.82Å; I55-F57 HydrophobicContact CG2-CE1 4.06Å; I55-M76 HydrophobicContact CB-CB 4.26Å; I55-M76 HydrophobicContact CB-SD 4.07Å; I55-M76 HydrophobicContact CD1-SD 4.26Å; I55-M76 HydrophobicContact CG2-SD 4.2Å; I55-M76 PolarHBondContact O-N 2.9Å
56E95.8Very high89.9Confident62 Ų6261 Ų6129%0.2932%0.321SS..EExtended strand (participates in β ladder)trans-130.7131.6176.5-70.7-172.9123.200109.4E32 K54 V74 T75E32-E56 HydrophobicContact CB-CB 4.13Å; E32-E56 HydrophobicContact CG-CB 3.9Å; E32-E56 PolarHBondContact N-O 2.9Å; K54-E56 HydrophobicContact CD-CG 4.11Å; K54-E56 VanDerWaalsContact CE-OE1 3.3Å; K54-E56 WeakPolarHBondContact CE-OE1 3.23Å; K54-E56 WeakPolarHBondContact CE-OE2 3.39Å; K54-E56 HydrophobicContact CG-CG 4.19Å; K54-E56 VanDerWaalsContact NZ-CD 3.26Å; K54-E56 IonicContact NZ-OE1 3.47Å; K54-E56 PolarHBondContact NZ-OE1 2.91Å; K54-E56 IonicContact NZ-OE2 3.58Å; K54-E56 PolarHBondContact NZ-OE2 2.97Å; K54-E56 PolarHBondContact O-N 2.77Å; E56-V74 WeakPolarHBondContact CA-O 3.06Å; E56-T75 HydrophobicContact CG-CG2 3.8Å; E56-T75 WeakPolarHBondContact OE1-CG2 3.24Å; E56-T75 PolarHBondContact OE1-OG1 2.99Å
57F95.3Very high89.6Confident2 Ų267.4 Ų67.41%0.00934%0.335CS..EExtended strand (participates in β ladder)trans-159.7165.9-176.262.5-78.7000112.2M16 L19 V29 K30 L31 I55 I59 V74 M76 V120M16-F57 HydrophobicContact CE-CD1 4.27Å; M16-F57 HydrophobicContact CE-CD2 4.47Å; M16-F57 HydrophobicContact CE-CE1 4.25Å; M16-F57 HydrophobicContact CE-CE2 4.42Å; M16-F57 HydrophobicContact CE-CG 4.37Å; M16-F57 HydrophobicContact CE-CZ 4.31Å; M16-F57 HydrophobicContact SD-CD1 4.01Å; M16-F57 HydrophobicContact SD-CE1 3.48Å; M16-F57 WeakPolarHBondContact SD-CE1 3.45Å; M16-F57 HydrophobicContact SD-CE2 4.28Å; M16-F57 HydrophobicContact SD-CZ 3.62Å; L19-F57 HydrophobicContact CD1-CE2 3.84Å; L19-F57 HydrophobicContact CD1-CZ 3.66Å; V29-F57 HydrophobicContact CG1-CD2 3.77Å; V29-F57 HydrophobicContact CG1-CE2 4.26Å; K30-F57 CarbonylContact O-C 3.47Å; K30-F57 WeakPolarHBondContact O-CA 3.43Å; K30-F57 WeakPolarHBondContact O-CB 3.39Å; L31-F57 HydrophobicContact CD2-CB 3.99Å; I55-F57 HydrophobicContact CG2-CD1 3.82Å; I55-F57 HydrophobicContact CG2-CE1 4.06Å; F57-I59 HydrophobicContact CD2-CD1 4.41Å; F57-I59 HydrophobicContact CD2-CG1 3.76Å; F57-I59 HydrophobicContact CE2-CD1 3.7Å; F57-I59 HydrophobicContact CE2-CG1 3.56Å; F57-V74 HydrophobicContact CD1-CB 4.09Å; F57-V74 HydrophobicContact CD1-CG1 4.42Å; F57-V74 HydrophobicContact CD2-CB 4.29Å; F57-V74 HydrophobicContact CD2-CG2 4.41Å; F57-V74 HydrophobicContact CE1-CB 3.74Å; F57-V74 HydrophobicContact CE1-CG1 3.64Å; F57-V74 HydrophobicContact CE2-CB 3.99Å; F57-V74 HydrophobicContact CE2-CG1 4.35Å; F57-V74 HydrophobicContact CE2-CG2 3.98Å; F57-V74 HydrophobicContact CG-CB 4.37Å; F57-V74 HydrophobicContact CZ-CB 3.7Å; F57-V74 HydrophobicContact CZ-CG1 3.61Å; F57-V74 HydrophobicContact CZ-CG2 4.07Å; F57-V74 PolarHBondContact N-O 3.26Å; F57-V74 PolarHBondContact O-N 3.09Å; F57-M76 HydrophobicContact CE1-CE 3.58Å; F57-M76 HydrophobicContact CE1-CG 4.47Å; F57-M76 HydrophobicContact CE1-SD 4.05Å; F57-M76 HydrophobicContact CZ-CE 3.7Å; F57-V120 HydrophobicContact CZ-CG1 4.33Å
58V95Very high89.4Confident13 Ų1364.1 Ų64.18%0.07932%0.315CS..EExtended strand (participates in β ladder)trans-119.5129.2175.8-174.40000109.5K30 D71 L72 Q73K30-V58 PolarHBondContact N-O 2.8Å; K30-V58 PolarHBondContact O-N 3.21Å; V58-D71 HydrophobicContact CG1-CB 3.91Å; V58-L72 CarbonylContact C-O 3.55Å; V58-L72 VanDerWaalsContact CA-O 3.31Å; V58-L72 WeakPolarHBondContact CA-O 3.45Å; V58-Q73 HydrophobicContact CG2-CG 4.05Å
59I93Very high89.4Confident0 Ų064.3 Ų64.30%032%0.317CS..EExtended strand (participates in β ladder)trans-101.4124.9168.9-47.8-179.4000108.6L19 F23 E28 V29 F57 L61 L72 V74 V120 I124L19-I59 HydrophobicContact CD2-CD1 4.19Å; F23-I59 HydrophobicContact CE1-CG2 4.17Å; F23-I59 HydrophobicContact CE2-CG2 4.2Å; F23-I59 HydrophobicContact CZ-CG2 4Å; E28-I59 CarbonylContact O-C 3.59Å; E28-I59 VanDerWaalsContact O-CA 3.29Å; E28-I59 WeakPolarHBondContact O-CA 3.24Å; V29-I59 HydrophobicContact CG2-CG1 4.42Å; F57-I59 HydrophobicContact CD2-CD1 4.41Å; F57-I59 HydrophobicContact CD2-CG1 3.76Å; F57-I59 HydrophobicContact CE2-CD1 3.7Å; F57-I59 HydrophobicContact CE2-CG1 3.56Å; I59-L61 HydrophobicContact CG2-CD2 3.73Å; I59-L61 HydrophobicContact CG2-CG 4.34Å; I59-L72 HydrophobicContact CB-CB 4.47Å; I59-L72 PolarHBondContact N-O 3.34Å; I59-L72 PolarHBondContact O-N 3.03Å; I59-V74 HydrophobicContact CD1-CG2 4.39Å; I59-V74 HydrophobicContact CG1-CG2 4.41Å; I59-V120 HydrophobicContact CD1-CG1 4Å; I59-I124 HydrophobicContact CD1-CD1 3.43Å; I59-I124 VanDerWaalsContact CD1-CD1 3.43Å; I59-I124 HydrophobicContact CD1-CG1 4.04Å
60T91.7Very high89.5Confident19 Ų1955.2 Ų55.212%0.11728%0.275CS..EExtended strand (participates in β ladder)trans-85.6116.7168.5-79.90000109.4E28 K69 D71E28-T60 PolarHBondContact O-N 2.84Å; T60-K69 HydrophobicContact CG2-CD 4.16Å; T60-K69 HydrophobicContact CG2-CG 4.07Å; T60-K69 VanDerWaalsContact OG1-CE 3.25Å; T60-K69 WeakPolarHBondContact OG1-CE 3.45Å; T60-K69 PolarHBondContact OG1-NZ 3.15Å; T60-K69 VanDerWaalsContact OG1-NZ 3.09Å; T60-D71 PolarHBondContact OG1-OD1 2.92Å
61L89.4Confident89.6Confident2 Ų253.9 Ų53.91%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-103.6132.3173.9-57.8179.2000110.3F23 I59 K69 I70 I124 L127F23-L61 HydrophobicContact CE1-CD2 4.01Å; F23-L61 HydrophobicContact CZ-CD2 3.92Å; I59-L61 HydrophobicContact CG2-CD2 3.73Å; I59-L61 HydrophobicContact CG2-CG 4.34Å; L61-K69 WeakPolarHBondContact O-CA 3.24Å; L61-I70 HydrophobicContact CB-CB 4.47Å; L61-I70 PolarHBondContact N-O 3.42Å; L61-I70 PolarHBondContact O-N 3.37Å; L61-I124 HydrophobicContact CD1-CG2 4.35Å; L61-I124 HydrophobicContact CD2-CG1 4.39Å; L61-I124 HydrophobicContact CD2-CG2 3.77Å; L61-L127 HydrophobicContact CD1-CB 3.96Å; L61-L127 HydrophobicContact CD1-CD1 3.81Å
62Q87.8Confident89.7Confident111 Ų11149.7 Ų49.752%0.51924%0.239SC..EExtended strand (participates in β ladder)trans-98.1116.5169.5-63.6-66.7-21.200108
63I84.1Confident89.7Confident7 Ų752.7 Ų52.74%0.03625%0.252CS..EExtended strand (participates in β ladder)trans-91132.3172.9-51.6-52.7000107K67 V68 I70 Q128 S131I63-K67 VanDerWaalsContact O-CA 3.24Å; I63-K67 WeakPolarHBondContact O-CA 3.3Å; I63-V68 HydrophobicContact CB-CG2 3.79Å; I63-V68 HydrophobicContact CG1-CG2 4Å; I63-V68 HydrophobicContact CG2-CG2 4.34Å; I63-V68 PolarHBondContact N-O 3.02Å; I63-V68 PolarHBondContact O-N 3.45Å; I63-V68 VanDerWaalsContact O-N 3.16Å; I63-I70 HydrophobicContact CD1-CD1 4.07Å; I63-I70 HydrophobicContact CG1-CD1 3.77Å; I63-I70 HydrophobicContact CG1-CG1 4.05Å; I63-Q128 HydrophobicContact CD1-CG 4.44Å; I63-S131 WeakPolarHBondContact CD1-OG 3.46Å; I63-S131 WeakPolarHBondContact CG2-OG 3.4Å
64E77.7Confident89.9Confident181 Ų18150.5 Ų50.585%0.84624%0.238SC*.THydrogen-bonded Turntrans-81.3-37.8-176.2-62.2-168.3158.900112.3P66 K67E64-P66 CarbonylContact O-C 3.6Å; E64-K67 WeakPolarHBondContact O-CA 3.41Å; E64-K67 PolarHBondContact O-N 3.44Å
65E74.8Confident89.9Confident168 Ų16847.7 Ų47.779%0.78523%0.227SC*.THydrogen-bonded Turntrans-139.3106-176.1-169.1166-158.400111.8A132E65-A132 VanDerWaalsContact O-CB 3.23Å; E65-A132 WeakPolarHBondContact O-CB 3.42Å
66P76.4Confident89.9Confident31 Ų3147.7 Ų47.720%0.20123%0.227CC..THydrogen-bonded Turncis-68.2152.6-6.630.6-32.1000111.2E64 V68 F135E64-P66 CarbonylContact O-C 3.6Å; P66-V68 HydrophobicContact CB-CG1 4.24Å; P66-V68 HydrophobicContact CG-CG1 4.13Å; P66-V68 HydrophobicContact CG-CG2 4.41Å; P66-V68 WeakPolarHBondContact O-CG2 3.09Å; P66-V68 PolarHBondContact O-N 2.97Å; P66-F135 HydrophobicContact CG-CB 3.54Å; P66-F135 HydrophobicContact CG-CD2 4.48Å; P66-F135 HydrophobicContact CG-CG 4.09Å
67K85.3Confident89.8Confident186 Ų18646.6 Ų46.681%0.80923%0.225SC*.THydrogen-bonded Turntrans-68.288.8179.6-166.5170.3-175171.70111.5I63 E64I63-K67 VanDerWaalsContact O-CA 3.24Å; I63-K67 WeakPolarHBondContact O-CA 3.3Å; E64-K67 WeakPolarHBondContact O-CA 3.41Å; E64-K67 PolarHBondContact O-N 3.44Å
68V87.8Confident89.8Confident18 Ų1848.6 Ų48.611%0.10924%0.235CC..EExtended strand (participates in β ladder)trans-136.9157.3-175.3-59.60000111.5I63 P66 E93 F135I63-V68 HydrophobicContact CB-CG2 3.79Å; I63-V68 HydrophobicContact CG1-CG2 4Å; I63-V68 HydrophobicContact CG2-CG2 4.34Å; I63-V68 PolarHBondContact N-O 3.02Å; I63-V68 PolarHBondContact O-N 3.45Å; I63-V68 VanDerWaalsContact O-N 3.16Å; P66-V68 HydrophobicContact CB-CG1 4.24Å; P66-V68 HydrophobicContact CG-CG1 4.13Å; P66-V68 HydrophobicContact CG-CG2 4.41Å; P66-V68 WeakPolarHBondContact O-CG2 3.09Å; P66-V68 PolarHBondContact O-N 2.97Å; V68-E93 HydrophobicContact CB-CG 4.4Å; V68-E93 HydrophobicContact CG1-CB 4.23Å; V68-E93 HydrophobicContact CG1-CG 3.97Å; V68-F135 HydrophobicContact CB-CD1 4.35Å; V68-F135 HydrophobicContact CB-CE1 4.08Å; V68-F135 HydrophobicContact CB-CZ 4.38Å; V68-F135 HydrophobicContact CG1-CD1 4.07Å; V68-F135 HydrophobicContact CG1-CE1 4.27Å; V68-F135 HydrophobicContact CG2-CD1 3.96Å; V68-F135 HydrophobicContact CG2-CD2 3.89Å; V68-F135 HydrophobicContact CG2-CE1 3.7Å; V68-F135 HydrophobicContact CG2-CE2 3.7Å; V68-F135 HydrophobicContact CG2-CG 4.06Å; V68-F135 HydrophobicContact CG2-CZ 3.58Å
69K90.8Very high89.7Confident84 Ų8450.6 Ų50.637%0.36525%0.249SC..EExtended strand (participates in β ladder)trans-104.8131.5177.8-168.8-166.2-177.1-144.50110.3T60 L61 D71 S91T60-K69 HydrophobicContact CG2-CD 4.16Å; T60-K69 HydrophobicContact CG2-CG 4.07Å; T60-K69 VanDerWaalsContact OG1-CE 3.25Å; T60-K69 WeakPolarHBondContact OG1-CE 3.45Å; T60-K69 PolarHBondContact OG1-NZ 3.15Å; T60-K69 VanDerWaalsContact OG1-NZ 3.09Å; L61-K69 WeakPolarHBondContact O-CA 3.24Å; K69-D71 VanDerWaalsContact CE-OD1 3.24Å; K69-D71 WeakPolarHBondContact CE-OD1 3.23Å; K69-D71 IonicContact NZ-OD1 2.8Å; K69-D71 PolarHBondContact NZ-OD1 2.56Å; K69-D71 IonicContact NZ-OD2 3.72Å; K69-S91 VanDerWaalsContact O-CB 3.24Å; K69-S91 WeakPolarHBondContact O-CB 3.42Å; K69-S91 PolarHBondContact O-OG 3.13Å
70I91.7Very high89.7Confident0 Ų050.7 Ų50.70%025%0.25CC..EExtended strand (participates in β ladder)trans-117.2123.4171.3-56.1178.4000108.5L61 I63 L102 F135L61-I70 HydrophobicContact CB-CB 4.47Å; L61-I70 PolarHBondContact N-O 3.42Å; L61-I70 PolarHBondContact O-N 3.37Å; I63-I70 HydrophobicContact CD1-CD1 4.07Å; I63-I70 HydrophobicContact CG1-CD1 3.77Å; I63-I70 HydrophobicContact CG1-CG1 4.05Å; I70-L102 HydrophobicContact CD1-CD1 4.33Å; I70-F135 HydrophobicContact CD1-CE2 3.73Å; I70-F135 HydrophobicContact CD1-CZ 3.9Å; I70-F135 HydrophobicContact CG1-CE2 4.17Å; I70-F135 HydrophobicContact CG1-CZ 3.83Å
71D93.4Very high89.8Confident26 Ų2650.1 Ų50.114%0.13925%0.246CC..EExtended strand (participates in β ladder)trans-90113167.3-67.7-19.7000107.7V58 T60 K69 R90V58-D71 HydrophobicContact CG1-CB 3.91Å; T60-D71 PolarHBondContact OG1-OD1 2.92Å; K69-D71 VanDerWaalsContact CE-OD1 3.24Å; K69-D71 WeakPolarHBondContact CE-OD1 3.23Å; K69-D71 IonicContact NZ-OD1 2.8Å; K69-D71 PolarHBondContact NZ-OD1 2.56Å; K69-D71 IonicContact NZ-OD2 3.72Å; D71-R90 HydrophobicContact CB-CG 3.95Å; D71-R90 PolarHBondContact N-O 3.33Å; D71-R90 WeakPolarHBondContact O-CG 3.26Å; D71-R90 PolarHBondContact O-N 3.02Å; D71-R90 IonicContact OD2-CZ 3.91Å; D71-R90 IonicContact OD2-NH1 2.76Å; D71-R90 PolarHBondContact OD2-NH1 3.04Å; D71-R90 IonicContact OD2-NH2 3.05Å; D71-R90 PolarHBondContact OD2-NH2 3.22Å
72L95Very high89.7Confident0 Ų054.4 Ų54.40%026%0.263CS..EExtended strand (participates in β ladder)trans-95.1111.9174.9179.163.3000109.7V58 I59 V74 L87 L106 I124 L127V58-L72 CarbonylContact C-O 3.55Å; V58-L72 VanDerWaalsContact CA-O 3.31Å; V58-L72 WeakPolarHBondContact CA-O 3.45Å; I59-L72 HydrophobicContact CB-CB 4.47Å; I59-L72 PolarHBondContact N-O 3.34Å; I59-L72 PolarHBondContact O-N 3.03Å; L72-V74 HydrophobicContact CD2-CG2 4.05Å; L72-V74 HydrophobicContact CG-CG2 3.91Å; L72-L87 HydrophobicContact CD1-CB 4.29Å; L72-L87 HydrophobicContact CD1-CD2 4.05Å; L72-L87 HydrophobicContact CD2-CD2 4.27Å; L72-L87 HydrophobicContact CG-CD2 4.28Å; L72-L106 HydrophobicContact CD1-CD2 3.8Å; L72-I124 HydrophobicContact CD2-CG1 4.34Å; L72-L127 HydrophobicContact CB-CD1 4.34Å; L72-L127 HydrophobicContact CD1-CD1 3.81Å; L72-L127 HydrophobicContact CD2-CD1 3.77Å; L72-L127 HydrophobicContact CG-CD1 4.17Å
73Q95.3Very high89.7Confident68 Ų6852.7 Ų52.732%0.31826%0.26SS..EExtended strand (participates in β ladder)trans-84.3130171.5-53-175.2-53.100109.3V58 L87 F88V58-Q73 HydrophobicContact CG2-CG 4.05Å; Q73-L87 WeakPolarHBondContact O-CA 3.33Å; Q73-F88 HydrophobicContact CB-CB 4.25Å; Q73-F88 PolarHBondContact N-O 3.5Å; Q73-F88 PolarHBondContact O-N 2.89Å
74V96.1Very high89.7Confident1 Ų155.7 Ų55.71%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-125.4126-176-171.90000108.6E56 F57 I59 L72 M76 L85 L87 V120E56-V74 WeakPolarHBondContact CA-O 3.06Å; F57-V74 HydrophobicContact CD1-CB 4.09Å; F57-V74 HydrophobicContact CD1-CG1 4.42Å; F57-V74 HydrophobicContact CD2-CB 4.29Å; F57-V74 HydrophobicContact CD2-CG2 4.41Å; F57-V74 HydrophobicContact CE1-CB 3.74Å; F57-V74 HydrophobicContact CE1-CG1 3.64Å; F57-V74 HydrophobicContact CE2-CB 3.99Å; F57-V74 HydrophobicContact CE2-CG1 4.35Å; F57-V74 HydrophobicContact CE2-CG2 3.98Å; F57-V74 HydrophobicContact CG-CB 4.37Å; F57-V74 HydrophobicContact CZ-CB 3.7Å; F57-V74 HydrophobicContact CZ-CG1 3.61Å; F57-V74 HydrophobicContact CZ-CG2 4.07Å; F57-V74 PolarHBondContact N-O 3.26Å; F57-V74 PolarHBondContact O-N 3.09Å; I59-V74 HydrophobicContact CD1-CG2 4.39Å; I59-V74 HydrophobicContact CG1-CG2 4.41Å; L72-V74 HydrophobicContact CD2-CG2 4.05Å; L72-V74 HydrophobicContact CG-CG2 3.91Å; V74-M76 HydrophobicContact CG1-CE 4.43Å; V74-M76 HydrophobicContact CG1-CG 4.44Å; V74-L85 HydrophobicContact CG1-CD1 3.81Å; V74-L87 HydrophobicContact CB-CD2 4.18Å; V74-L87 HydrophobicContact CG1-CD2 3.98Å; V74-L87 HydrophobicContact CG2-CD2 3.76Å; V74-V120 HydrophobicContact CG1-CG1 4.35Å; V74-V120 HydrophobicContact CG1-CG2 3.9Å; V74-V120 HydrophobicContact CG2-CG1 4.36Å
75T94.9Very high90.4Very high22 Ų2247.7 Ų47.714%0.13525%0.249CC..EExtended strand (participates in β ladder)trans-125.7110.3176.8-64.10000109.4K54 E56 P77 L85 Q86K54-T75 HydrophobicContact CD-CG2 3.82Å; E56-T75 HydrophobicContact CG-CG2 3.8Å; E56-T75 WeakPolarHBondContact OE1-CG2 3.24Å; E56-T75 PolarHBondContact OE1-OG1 2.99Å; T75-P77 VanDerWaalsContact O-CD 3.3Å; T75-P77 WeakPolarHBondContact O-CD 3.35Å; T75-L85 WeakPolarHBondContact O-CB 3.36Å; T75-Q86 PolarHBondContact N-O 3.22Å; T75-Q86 PolarHBondContact O-N 2.99Å
76M95.8Very high91.1Very high0 Ų046 Ų460%024%0.241CC..EExtended strand (participates in β ladder)trans-93.9107178-62.1170.4174.600110Q12 E15 M16 K54 I55 F57 V74 Y80 V120Q12-M76 HydrophobicContact CB-SD 4.38Å; Q12-M76 HydrophobicContact CG-CB 4.34Å; Q12-M76 HydrophobicContact CG-SD 4.07Å; E15-M76 HydrophobicContact CG-CE 4.49Å; E15-M76 WeakPolarHBondContact OE2-CE 3.47Å; M16-M76 HydrophobicContact SD-CE 4.06Å; M16-M76 HydrophobicContact SD-SD 4.4Å; K54-M76 WeakPolarHBondContact CB-O 3.35Å; I55-M76 HydrophobicContact CB-CB 4.26Å; I55-M76 HydrophobicContact CB-SD 4.07Å; I55-M76 HydrophobicContact CD1-SD 4.26Å; I55-M76 HydrophobicContact CG2-SD 4.2Å; I55-M76 PolarHBondContact O-N 2.9Å; F57-M76 HydrophobicContact CE1-CE 3.58Å; F57-M76 HydrophobicContact CE1-CG 4.47Å; F57-M76 HydrophobicContact CE1-SD 4.05Å; F57-M76 HydrophobicContact CZ-CE 3.7Å; V74-M76 HydrophobicContact CG1-CE 4.43Å; V74-M76 HydrophobicContact CG1-CG 4.44Å; M76-Y80 HydrophobicContact CB-CD1 4.05Å; M76-Y80 HydrophobicContact CE-CE1 4.26Å; M76-Y80 HydrophobicContact CG-CD1 3.91Å; M76-Y80 HydrophobicContact CG-CE1 4.15Å; M76-Y80 HydrophobicContact SD-CD1 4.35Å; M76-Y80 HydrophobicContact SD-CE1 4.27Å; M76-V120 HydrophobicContact CE-CG2 3.59Å
77P94.3Very high91.8Very high39 Ų3945.5 Ų45.525%0.25324%0.236SC..  trans-65.9160.117229-35.1000110.8Q12 T75 S79 Y80Q12-P77 PolarHBondContact NE2-O 3.46Å; T75-P77 VanDerWaalsContact O-CD 3.3Å; T75-P77 WeakPolarHBondContact O-CD 3.35Å; P77-S79 PolarHBondContact O-N 3.02Å; P77-Y80 WeakPolarHBondContact O-CB 3.42Å; P77-Y80 PolarHBondContact O-N 3.34Å
78H95Very high92Very high44 Ų4440.7 Ų40.720%0.20422%0.216CC..THydrogen-bonded Turntrans-59.5-14.1179.9-57.6150.5000115V5 S8 L51 P52 K54V5-H78 HydrophobicContact CG1-CB 4.22Å; S8-H78 WeakPolarHBondContact CB-O 3.32Å; L51-H78 VanDerWaalsContact CD2-CE1 3.45Å; L51-H78 WeakPolarHBondContact CD2-CE1 3.48Å; L51-H78 VanDerWaalsContact CD2-ND1 3.32Å; L51-H78 WeakPolarHBondContact CD2-ND1 3.3Å; P52-H78 PolarHBondContact O-CE1 3.08Å; P52-H78 PolarHBondContact O-NE2 3.47Å; P52-H78 VanDerWaalsContact O-NE2 3.11Å; K54-H78 PolarHBondContact N-NE2 2.77Å
79S93Very high92.1Very high55 Ų5539.9 Ų39.939%0.38521%0.211SC..THydrogen-bonded Turntrans-100.7-4.4179.2-54.10000113.7P77 Y82 V83P77-S79 PolarHBondContact O-N 3.02Å; S79-Y82 CarbonylContact O-C 3.55Å; S79-Y82 WeakPolarHBondContact O-CA 3.45Å; S79-Y82 WeakPolarHBondContact O-CB 3.46Å; S79-Y82 PolarHBondContact O-N 3.23Å; S79-V83 PolarHBondContact O-N 2.85Å
80Y94.5Very high92Very high2 Ų240.1 Ų40.11%0.00821%0.209CC..THydrogen-bonded Turntrans-69.5137.2172.2168.4-95.1000109.9S8 Q12 E15 M76 P77 V83 L85 L118 C119S8-Y80 WeakPolarHBondContact CB-O 3.44Å; Q12-Y80 HydrophobicContact CG-CD1 3.67Å; Q12-Y80 HydrophobicContact CG-CE1 4.26Å; Q12-Y80 PolarHBondContact NE2-O 3.47Å; E15-Y80 PolarHBondContact OE1-OH 2.83Å; E15-Y80 VanDerWaalsContact OE1-OH 3.1Å; E15-Y80 WeakPolarHBondContact OE2-CE1 3.18Å; E15-Y80 PolarHBondContact OE2-OH 2.95Å; M76-Y80 HydrophobicContact CB-CD1 4.05Å; M76-Y80 HydrophobicContact CE-CE1 4.26Å; M76-Y80 HydrophobicContact CG-CD1 3.91Å; M76-Y80 HydrophobicContact CG-CE1 4.15Å; M76-Y80 HydrophobicContact SD-CD1 4.35Å; M76-Y80 HydrophobicContact SD-CE1 4.27Å; P77-Y80 WeakPolarHBondContact O-CB 3.42Å; P77-Y80 PolarHBondContact O-N 3.34Å; Y80-V83 WeakPolarHBondContact CA-O 3.46Å; Y80-V83 WeakPolarHBondContact CB-O 3.42Å; Y80-L85 HydrophobicContact CD2-CB 3.7Å; Y80-L85 HydrophobicContact CD2-CD2 3.82Å; Y80-L85 HydrophobicContact CD2-CG 4.26Å; Y80-L85 HydrophobicContact CE1-CD2 4.4Å; Y80-L85 HydrophobicContact CE2-CB 4.16Å; Y80-L85 HydrophobicContact CE2-CD2 3.35Å; Y80-L85 HydrophobicContact CE2-CG 4.24Å; Y80-L85 HydrophobicContact CG-CB 4.13Å; Y80-L118 HydrophobicContact CE1-CD2 4.22Å; Y80-L118 WeakPolarHBondContact OH-CA 3.24Å; Y80-C119 PolarHBondContact OH-N 3.32Å
81P91.9Very high91.9Very high7 Ų740.8 Ų40.85%0.04521%0.214CC..THydrogen-bonded Turncis-87.67.411.132.7-35.2000118.4L11 V83 G116 E117 L118L11-P81 HydrophobicContact CB-CG 4.26Å; L11-P81 HydrophobicContact CD1-CG 3.68Å; P81-V83 VanDerWaalsContact C-N 3.31Å; P81-G116 WeakPolarHBondContact CG-O 3.36Å; P81-G116 PolarHBondContact O-N 3.16Å; P81-E117 WeakPolarHBondContact CB-O 3.42Å; P81-L118 HydrophobicContact CB-CD2 4.33Å; P81-L118 HydrophobicContact CG-CD2 4.06Å
82Y87.6Confident91.4Very high92 Ų9244.4 Ų44.436%0.36124%0.241SC..THydrogen-bonded Turntrans-81.2-14178.1-57-82.6000113.6A3 S8 L11 S79 P115A3-Y82 HydrophobicContact CB-CD1 3.98Å; A3-Y82 HydrophobicContact CB-CD2 3.44Å; A3-Y82 VanDerWaalsContact CB-CD2 3.44Å; A3-Y82 HydrophobicContact CB-CE1 3.79Å; A3-Y82 HydrophobicContact CB-CE2 3.21Å; A3-Y82 HydrophobicContact CB-CG 3.8Å; S8-Y82 WeakPolarHBondContact OG-CD2 3.35Å; L11-Y82 HydrophobicContact CD1-CE2 4.18Å; S79-Y82 CarbonylContact O-C 3.55Å; S79-Y82 WeakPolarHBondContact O-CA 3.45Å; S79-Y82 WeakPolarHBondContact O-CB 3.46Å; S79-Y82 PolarHBondContact O-N 3.23Å; Y82-P115 HydrophobicContact CD1-CB 4.35Å
83V87.9Confident90.8Very high75 Ų7548.5 Ų48.546%0.45526%0.261SS..SBendtrans-125.4138.2169.8175.50000107.8S79 Y80 P81 L85S79-V83 PolarHBondContact O-N 2.85Å; Y80-V83 WeakPolarHBondContact CA-O 3.46Å; Y80-V83 WeakPolarHBondContact CB-O 3.42Å; P81-V83 VanDerWaalsContact C-N 3.31Å; V83-L85 PolarHBondContact O-N 3.47Å
84A84.5Confident90.2Very high70 Ų7045.9 Ų45.958%0.57925%0.249SC*.PPolyproline II helixtrans-54.6133.2178.600000111.4
85L91.8Very high89.4Confident13 Ų1349.2 Ų49.27%0.06827%0.266CS..PPolyproline II helixtrans-74164.5171.37496.8000110.5V74 T75 Y80 V83 L87 C119 V120V74-L85 HydrophobicContact CG1-CD1 3.81Å; T75-L85 WeakPolarHBondContact O-CB 3.36Å; Y80-L85 HydrophobicContact CD2-CB 3.7Å; Y80-L85 HydrophobicContact CD2-CD2 3.82Å; Y80-L85 HydrophobicContact CD2-CG 4.26Å; Y80-L85 HydrophobicContact CE1-CD2 4.4Å; Y80-L85 HydrophobicContact CE2-CB 4.16Å; Y80-L85 HydrophobicContact CE2-CD2 3.35Å; Y80-L85 HydrophobicContact CE2-CG 4.24Å; Y80-L85 HydrophobicContact CG-CB 4.13Å; V83-L85 PolarHBondContact O-N 3.47Å; L85-L87 HydrophobicContact CD1-CD1 4.19Å; L85-L87 HydrophobicContact CD1-CD2 3.25Å; L85-L87 HydrophobicContact CD1-CG 3.35Å; L85-L87 HydrophobicContact CG-CG 4.46Å; L85-C119 WeakPolarHBondContact CD2-SG 3.47Å; L85-V120 HydrophobicContact CD2-CG2 3.61Å
86Q89.6Confident88.2Confident133 Ų13359 Ų5962%0.62130%0.301SS*.EExtended strand (participates in β ladder)trans-100127.5175-60.2175.2-1900109.9T75T75-Q86 PolarHBondContact N-O 3.22Å; T75-Q86 PolarHBondContact O-N 2.99Å
87L91.4Very high87.2Confident20 Ų2063.8 Ų63.811%0.10532%0.323CS..EExtended strand (participates in β ladder)trans-116.2142.3176.6-68.9178000110.5L72 Q73 V74 L85 L106 I110 A123L72-L87 HydrophobicContact CD1-CB 4.29Å; L72-L87 HydrophobicContact CD1-CD2 4.05Å; L72-L87 HydrophobicContact CD2-CD2 4.27Å; L72-L87 HydrophobicContact CG-CD2 4.28Å; Q73-L87 WeakPolarHBondContact O-CA 3.33Å; V74-L87 HydrophobicContact CB-CD2 4.18Å; V74-L87 HydrophobicContact CG1-CD2 3.98Å; V74-L87 HydrophobicContact CG2-CD2 3.76Å; L85-L87 HydrophobicContact CD1-CD1 4.19Å; L85-L87 HydrophobicContact CD1-CD2 3.25Å; L85-L87 HydrophobicContact CD1-CG 3.35Å; L85-L87 HydrophobicContact CG-CG 4.46Å; L87-L106 HydrophobicContact CB-CD2 3.73Å; L87-L106 HydrophobicContact CB-CG 4.22Å; L87-L106 HydrophobicContact CD1-CD1 3.87Å; L87-L106 HydrophobicContact CD1-CD2 3.83Å; L87-L106 HydrophobicContact CD1-CG 3.69Å; L87-L106 HydrophobicContact CG-CD2 4.38Å; L87-I110 HydrophobicContact CD1-CD1 4.37Å; L87-I110 HydrophobicContact CD1-CG1 3.66Å; L87-A123 HydrophobicContact CD1-CB 3.57Å
88F89Confident86.5Confident86 Ų8662.2 Ų62.238%0.37731%0.312SS..EExtended strand (participates in β ladder)trans-144.7105.5170.8-168.6-103.8000111.7Q73 R90 N103Q73-F88 HydrophobicContact CB-CB 4.25Å; Q73-F88 PolarHBondContact N-O 3.5Å; Q73-F88 PolarHBondContact O-N 2.89Å; F88-R90 HydrophobicContact CD1-CB 4.48Å; F88-R90 HydrophobicContact CE1-CB 4.22Å; F88-N103 VanDerWaalsContact CA-OD1 3.24Å; F88-N103 WeakPolarHBondContact CA-OD1 3.42Å
89G91.1Very high85.8Confident0 Ų062.2 Ų62.20%031%0.312CS..EExtended strand (participates in β ladder)trans-84.6129.4173.200000111.3Q99 N103G89-Q99 WeakPolarHBondContact O-CG 3.36Å; G89-N103 PolarHBondContact N-OD1 2.98Å; G89-N103 PolarHBondContact O-ND2 3.05Å
90R87.3Confident85Confident89 Ų8964.5 Ų64.534%0.33632%0.32SS..EExtended strand (participates in β ladder)trans-133.5145.5174.761.5-179.9179.371.57.8111.1D71 F88D71-R90 HydrophobicContact CB-CG 3.95Å; D71-R90 PolarHBondContact N-O 3.33Å; D71-R90 WeakPolarHBondContact O-CG 3.26Å; D71-R90 PolarHBondContact O-N 3.02Å; D71-R90 IonicContact OD2-CZ 3.91Å; D71-R90 IonicContact OD2-NH1 2.76Å; D71-R90 PolarHBondContact OD2-NH1 3.04Å; D71-R90 IonicContact OD2-NH2 3.05Å; D71-R90 PolarHBondContact OD2-NH2 3.22Å; F88-R90 HydrophobicContact CD1-CB 4.48Å; F88-R90 HydrophobicContact CE1-CB 4.22Å
91S90Very high84.4Confident14 Ų1466.3 Ų66.310%0.09833%0.329CS..  trans-145.8148.2175.1-178.40000109.2K69 E93 L94K69-S91 VanDerWaalsContact O-CB 3.24Å; K69-S91 WeakPolarHBondContact O-CB 3.42Å; K69-S91 PolarHBondContact O-OG 3.13Å; S91-E93 PolarHBondContact O-N 3.44Å; S91-E93 PolarHBondContact OG-N 3.28Å; S91-L94 PolarHBondContact O-N 2.95Å
92S83.4Confident84.2Confident102 Ų10266 Ų6671%0.71333%0.327SS*.THydrogen-bonded Turntrans-63.9-24.9172.154.10000112.5
93E83.3Confident84.1Confident87 Ų8762.3 Ų62.341%0.40731%0.314SS..THydrogen-bonded Turntrans-89.1-11.2-175.9-51.7-49.5125.300113.1V68 S91 F135 R138V68-E93 HydrophobicContact CB-CG 4.4Å; V68-E93 HydrophobicContact CG1-CB 4.23Å; V68-E93 HydrophobicContact CG1-CG 3.97Å; S91-E93 PolarHBondContact O-N 3.44Å; S91-E93 PolarHBondContact OG-N 3.28Å; E93-F135 HydrophobicContact CB-CD1 3.85Å; E93-F135 HydrophobicContact CB-CE1 3.75Å; E93-R138 PolarHBondContact O-NH1 2.95Å
94L81.9Confident83.9Confident13 Ų1364.2 Ų64.27%0.06832%0.316CS..  trans-88.9132174.9-67.6168.4000110.4S91 Q98 Q99 L102 F135S91-L94 PolarHBondContact O-N 2.95Å; L94-Q98 HydrophobicContact CB-CB 4.41Å; L94-Q98 HydrophobicContact CD2-CB 3.74Å; L94-Q99 HydrophobicContact CB-CB 4.26Å; L94-L102 HydrophobicContact CD1-CD1 3.99Å; L94-F135 HydrophobicContact CD1-CE1 4.22Å; L94-F135 HydrophobicContact CD1-CE2 4.47Å; L94-F135 HydrophobicContact CD1-CZ 3.78Å; L94-F135 HydrophobicContact CD2-CD1 3.83Å; L94-F135 HydrophobicContact CD2-CD2 4.27Å; L94-F135 HydrophobicContact CD2-CE1 3.57Å; L94-F135 HydrophobicContact CD2-CE2 3.98Å; L94-F135 HydrophobicContact CD2-CG 4.17Å; L94-F135 HydrophobicContact CD2-CZ 3.63Å; L94-F135 HydrophobicContact CG-CD1 4.16Å; L94-F135 HydrophobicContact CG-CE1 3.44Å; L94-F135 VanDerWaalsContact CG-CE1 3.44Å; L94-F135 HydrophobicContact CG-CE2 4.32Å; L94-F135 HydrophobicContact CG-CZ 3.51Å
95D78.1Confident83.9Confident70 Ų7061.7 Ų61.737%0.37430%0.297SS..  trans-76.3172.5164.272.446.7000111.7H97 Q98 Q99D95-H97 VanDerWaalsContact C-N 3.27Å; D95-H97 PolarHBondContact O-N 3.44Å; D95-H97 WeakPolarHBondContact OD1-CA 3.39Å; D95-H97 WeakPolarHBondContact OD1-CB 3.29Å; D95-H97 PolarHBondContact OD1-N 3.48Å; D95-Q98 VanDerWaalsContact N-OE1 3.15Å; D95-Q98 PolarHBondContact O-N 2.77Å; D95-Q98 WeakPolarHBondContact OD1-CG 3.46Å; D95-Q98 PolarHBondContact OD1-N 2.92Å; D95-Q98 PolarHBondContact OD2-OE1 3.46Å; D95-Q99 VanDerWaalsContact O-CB 3.24Å; D95-Q99 WeakPolarHBondContact O-CB 3.38Å; D95-Q99 PolarHBondContact O-N 3.13Å
96R70.2Confident83.6Confident227 Ų22761.1 Ų61.186%0.85729%0.294SS*.Hα-helixtrans-59.4-35.6-178.5-178.3176.5176.2157.50.3113.1L100R96-L100 WeakPolarHBondContact O-CB 3.48Å; R96-L100 PolarHBondContact O-N 3.49Å; R96-L100 VanDerWaalsContact O-N 3.13Å
97H74.2Confident83.4Confident101 Ų10158.8 Ų58.847%0.46829%0.289SS..Hα-helixtrans-75-46.7-179.3175.3-104.9000110.8D95 Q99 L100 L101D95-H97 VanDerWaalsContact C-N 3.27Å; D95-H97 PolarHBondContact O-N 3.44Å; D95-H97 WeakPolarHBondContact OD1-CA 3.39Å; D95-H97 WeakPolarHBondContact OD1-CB 3.29Å; D95-H97 PolarHBondContact OD1-N 3.48Å; H97-Q99 VanDerWaalsContact C-N 3.32Å; H97-Q99 PolarHBondContact O-N 2.95Å; H97-L100 WeakPolarHBondContact O-CB 3.36Å; H97-L100 PolarHBondContact O-N 2.79Å; H97-L100 VanDerWaalsContact O-N 3.13Å; H97-L101 VanDerWaalsContact CE1-CD1 3.46Å; H97-L101 WeakPolarHBondContact CE1-CD1 3.47Å; H97-L101 WeakPolarHBondContact O-CG 3.33Å; H97-L101 PolarHBondContact O-N 2.87Å
98Q79.9Confident83Confident6 Ų661.1 Ų61.13%0.02831%0.307CS..Hα-helixtrans-61-42175.5-65.4176.3-37.800111.7L94 D95 L100 L101 L102 Y134L94-Q98 HydrophobicContact CB-CB 4.41Å; L94-Q98 HydrophobicContact CD2-CB 3.74Å; D95-Q98 VanDerWaalsContact N-OE1 3.15Å; D95-Q98 PolarHBondContact O-N 2.77Å; D95-Q98 WeakPolarHBondContact OD1-CG 3.46Å; D95-Q98 PolarHBondContact OD1-N 2.92Å; D95-Q98 PolarHBondContact OD2-OE1 3.46Å; Q98-L100 VanDerWaalsContact C-N 3.32Å; Q98-L100 PolarHBondContact O-N 2.9Å; Q98-L101 PolarHBondContact O-N 3.25Å; Q98-L102 WeakPolarHBondContact O-CB 3.39Å; Q98-L102 PolarHBondContact O-N 2.99Å; Q98-Y134 PolarHBondContact NE2-O 3.44Å
99Q80.5Confident82.6Confident44 Ų4460.5 Ų60.521%0.20630%0.302CS..Hα-helixtrans-61.9-40.7174.7-172.1174-61.600111.5G89 L94 D95 H97 N103G89-Q99 WeakPolarHBondContact O-CG 3.36Å; L94-Q99 HydrophobicContact CB-CB 4.26Å; D95-Q99 VanDerWaalsContact O-CB 3.24Å; D95-Q99 WeakPolarHBondContact O-CB 3.38Å; D95-Q99 PolarHBondContact O-N 3.13Å; H97-Q99 VanDerWaalsContact C-N 3.32Å; H97-Q99 PolarHBondContact O-N 2.95Å; Q99-N103 WeakPolarHBondContact CG-ND2 3.47Å; Q99-N103 WeakPolarHBondContact O-CB 3.35Å; Q99-N103 PolarHBondContact O-N 3.37Å; Q99-N103 PolarHBondContact O-ND2 2.96Å
100L76.3Confident82.2Confident104 Ų10461 Ų6155%0.54531%0.305SS..Hα-helixtrans-62.9-44.7175.4-174.9154.8000111.2R96 H97 Q98 N103 K104R96-L100 WeakPolarHBondContact O-CB 3.48Å; R96-L100 PolarHBondContact O-N 3.49Å; R96-L100 VanDerWaalsContact O-N 3.13Å; H97-L100 WeakPolarHBondContact O-CB 3.36Å; H97-L100 PolarHBondContact O-N 2.79Å; H97-L100 VanDerWaalsContact O-N 3.13Å; Q98-L100 VanDerWaalsContact C-N 3.32Å; Q98-L100 PolarHBondContact O-N 2.9Å; L100-N103 PolarHBondContact O-N 3.36Å; L100-K104 VanDerWaalsContact O-CB 3.26Å; L100-K104 WeakPolarHBondContact O-CB 3.5Å; L100-K104 PolarHBondContact O-N 2.73Å
101L82.1Confident81.9Confident40 Ų4059.6 Ų59.621%0.20932%0.318CS..Hα-helixtrans-62-48.5177.6-69.5177.9000111.8H97 Q98 N103 K104 G105 Y134H97-L101 VanDerWaalsContact CE1-CD1 3.46Å; H97-L101 WeakPolarHBondContact CE1-CD1 3.47Å; H97-L101 WeakPolarHBondContact O-CG 3.33Å; H97-L101 PolarHBondContact O-N 2.87Å; Q98-L101 PolarHBondContact O-N 3.25Å; L101-N103 PolarHBondContact O-N 3.1Å; L101-K104 PolarHBondContact O-N 3.2Å; L101-G105 PolarHBondContact O-N 2.91Å; L101-Y134 HydrophobicContact CB-CD1 3.98Å; L101-Y134 HydrophobicContact CB-CE1 3.88Å
102L87.1Confident81.4Confident0 Ų063.8 Ų63.80%034%0.344CS..Hα-helixtrans-58.2-47.9178179.1145.3000111.3I70 L94 Q98 K104 G105 L106 L127 Y134I70-L102 HydrophobicContact CD1-CD1 4.33Å; L94-L102 HydrophobicContact CD1-CD1 3.99Å; Q98-L102 WeakPolarHBondContact O-CB 3.39Å; Q98-L102 PolarHBondContact O-N 2.99Å; L102-K104 VanDerWaalsContact C-N 3.34Å; L102-K104 PolarHBondContact O-N 3.38Å; L102-G105 PolarHBondContact O-N 2.86Å; L102-L106 VanDerWaalsContact O-CB 3.29Å; L102-L106 WeakPolarHBondContact O-CB 3.27Å; L102-L106 PolarHBondContact O-N 3.05Å; L102-L127 HydrophobicContact CD1-CD2 4.06Å; L102-L127 HydrophobicContact CD2-CD2 3.78Å; L102-L127 HydrophobicContact CG-CD2 4.01Å; L102-Y134 HydrophobicContact CB-CD1 4Å; L102-Y134 HydrophobicContact CB-CD2 4.25Å; L102-Y134 HydrophobicContact CB-CE1 4.3Å; L102-Y134 HydrophobicContact CB-CG 3.97Å; L102-Y134 HydrophobicContact CD1-CD2 4.04Å; L102-Y134 HydrophobicContact CD1-CG 4.22Å; L102-Y134 HydrophobicContact CG-CD2 4.32Å; L102-Y134 HydrophobicContact CG-CG 4.48Å
103N87Confident81.1Confident15 Ų1561.6 Ų61.68%0.0832%0.321CS..Hα-helixtrans-67.3-34.2179.4-79.2-69000112.8F88 G89 Q99 L100 L101 T107F88-N103 VanDerWaalsContact CA-OD1 3.24Å; F88-N103 WeakPolarHBondContact CA-OD1 3.42Å; G89-N103 PolarHBondContact N-OD1 2.98Å; G89-N103 PolarHBondContact O-ND2 3.05Å; Q99-N103 WeakPolarHBondContact CG-ND2 3.47Å; Q99-N103 WeakPolarHBondContact O-CB 3.35Å; Q99-N103 PolarHBondContact O-N 3.37Å; Q99-N103 PolarHBondContact O-ND2 2.96Å; L100-N103 PolarHBondContact O-N 3.36Å; L101-N103 PolarHBondContact O-N 3.1Å; N103-T107 WeakPolarHBondContact O-CB 3.17Å; N103-T107 PolarHBondContact O-N 2.95Å; N103-T107 PolarHBondContact O-OG1 3.41Å
104K83.3Confident80.9Confident114 Ų11462.9 Ų62.950%0.49633%0.331SS..Hα-helixtrans-67.5-44.4175-174.3-175.7177.1-166.10111.2L100 L101 L102 S108L100-K104 VanDerWaalsContact O-CB 3.26Å; L100-K104 WeakPolarHBondContact O-CB 3.5Å; L100-K104 PolarHBondContact O-N 2.73Å; L101-K104 PolarHBondContact O-N 3.2Å; L102-K104 VanDerWaalsContact C-N 3.34Å; L102-K104 PolarHBondContact O-N 3.38Å; K104-S108 WeakPolarHBondContact O-CB 3.38Å; K104-S108 PolarHBondContact O-N 3.22Å; K104-S108 PolarHBondContact O-OG 3.05Å
105G84.1Confident80.8Confident18 Ų1866.8 Ų66.819%0.18636%0.357CS..Hα-helixtrans-60-48.5174.800000111.3L101 L102 T107 S108 Y109 W126L101-G105 PolarHBondContact O-N 2.91Å; L102-G105 PolarHBondContact O-N 2.86Å; G105-T107 PolarHBondContact O-N 3.14Å; G105-S108 PolarHBondContact O-N 2.85Å; G105-Y109 WeakPolarHBondContact O-CB 3.3Å; G105-Y109 PolarHBondContact O-N 2.89Å; G105-W126 VanDerWaalsContact C-CH2 3.49Å
106L86.4Confident80.8Confident0 Ų064.7 Ų64.70%035%0.352CS..Hα-helixtrans-59.5-47.6178-177.161.2000112.4L72 L87 L102 S108 Y109 I110 A123 W126 L127L72-L106 HydrophobicContact CD1-CD2 3.8Å; L87-L106 HydrophobicContact CB-CD2 3.73Å; L87-L106 HydrophobicContact CB-CG 4.22Å; L87-L106 HydrophobicContact CD1-CD1 3.87Å; L87-L106 HydrophobicContact CD1-CD2 3.83Å; L87-L106 HydrophobicContact CD1-CG 3.69Å; L87-L106 HydrophobicContact CG-CD2 4.38Å; L102-L106 VanDerWaalsContact O-CB 3.29Å; L102-L106 WeakPolarHBondContact O-CB 3.27Å; L102-L106 PolarHBondContact O-N 3.05Å; L106-S108 VanDerWaalsContact C-N 3.3Å; L106-S108 PolarHBondContact O-N 2.89Å; L106-Y109 PolarHBondContact O-N 3.36Å; L106-I110 WeakPolarHBondContact O-CG1 3.47Å; L106-I110 PolarHBondContact O-N 3.45Å; L106-A123 HydrophobicContact CD1-CB 4.02Å; L106-W126 HydrophobicContact CB-CE3 4.19Å; L106-W126 HydrophobicContact CB-CH2 4.32Å; L106-W126 HydrophobicContact CB-CZ3 3.76Å; L106-W126 HydrophobicContact CD1-CD2 4.42Å; L106-W126 HydrophobicContact CD1-CE3 3.69Å; L106-W126 HydrophobicContact CD1-CZ3 4.13Å; L106-W126 VanDerWaalsContact N-CH2 3.33Å; L106-L127 HydrophobicContact CD1-CD1 4.41Å; L106-L127 HydrophobicContact CD1-CG 4.16Å; L106-L127 HydrophobicContact CD2-CD1 4.17Å; L106-L127 HydrophobicContact CD2-CD2 4.36Å; L106-L127 HydrophobicContact CD2-CG 4.46Å
107T84.6Confident81.3Confident85 Ų8558.2 Ų58.252%0.52133%0.331SS..Hα-helixtrans-63.8-38.2178.7-55.60000111.3N103 G105 G111N103-T107 WeakPolarHBondContact O-CB 3.17Å; N103-T107 PolarHBondContact O-N 2.95Å; N103-T107 PolarHBondContact O-OG1 3.41Å; G105-T107 PolarHBondContact O-N 3.14Å; T107-G111 PolarHBondContact O-N 3.1Å
108S82.9Confident81.6Confident68 Ų6855.6 Ų55.648%0.47632%0.321SS..Hα-helixtrans-67.8-41.1178.3-55.30000111.6K104 G105 L106 G111 T112K104-S108 WeakPolarHBondContact O-CB 3.38Å; K104-S108 PolarHBondContact O-N 3.22Å; K104-S108 PolarHBondContact O-OG 3.05Å; G105-S108 PolarHBondContact O-N 2.85Å; L106-S108 VanDerWaalsContact C-N 3.3Å; L106-S108 PolarHBondContact O-N 2.89Å; S108-G111 PolarHBondContact O-N 3.3Å; S108-T112 WeakPolarHBondContact O-CG2 3.44Å
109Y81.9Confident81.9Confident73 Ų7355.5 Ų55.529%0.28632%0.321SS..Hα-helixtrans-62.7-46.7176.3174.2-107.9000111.9G105 L106 G111 T112 F113 A122 W126G105-Y109 WeakPolarHBondContact O-CB 3.3Å; G105-Y109 PolarHBondContact O-N 2.89Å; L106-Y109 PolarHBondContact O-N 3.36Å; Y109-G111 VanDerWaalsContact C-N 3.25Å; Y109-G111 PolarHBondContact O-N 3.11Å; Y109-T112 PolarHBondContact O-N 2.83Å; Y109-T112 VanDerWaalsContact O-N 3.13Å; Y109-T112 PolarHBondContact O-OG1 3.36Å; Y109-F113 HydrophobicContact CD1-CE2 4.4Å; Y109-F113 AromaticContact CE1-CE2 3.87Å; Y109-F113 HydrophobicContact CE1-CE2 3.87Å; Y109-F113 HydrophobicContact CE1-CZ 4.29Å; Y109-F113 HydrophobicContact CE2-CE2 4.32Å; Y109-F113 AromaticContact CZ-CE2 3.83Å; Y109-A122 HydrophobicContact CE1-CB 4.01Å; Y109-A122 WeakPolarHBondContact CE1-O 3.46Å; Y109-W126 HydrophobicContact CD1-CB 3.67Å; Y109-W126 AromaticContact CD1-CD1 3.66Å; Y109-W126 HydrophobicContact CD1-CD2 4.4Å; Y109-W126 AromaticContact CD1-CG 3.62Å; Y109-W126 HydrophobicContact CD1-CG 3.62Å; Y109-W126 AromaticContact CD2-CD1 3.48Å; Y109-W126 VanDerWaalsContact CD2-CD1 3.48Å; Y109-W126 HydrophobicContact CD2-CG 4.27Å; Y109-W126 AromaticContact CD2-NE1 3.95Å; Y109-W126 HydrophobicContact CE1-CB 3.57Å; Y109-W126 AromaticContact CE1-CG 3.96Å; Y109-W126 HydrophobicContact CE1-CG 3.96Å; Y109-W126 AromaticContact CE2-CD1 3.83Å; Y109-W126 HydrophobicContact CG-CB 4.31Å; Y109-W126 AromaticContact CG-CD1 3.37Å; Y109-W126 HydrophobicContact CG-CD2 4.42Å; Y109-W126 AromaticContact CG-CG 3.79Å; Y109-W126 HydrophobicContact CG-CG 3.79Å; Y109-W126 AromaticContact CG-NE1 3.8Å
110I82.4Confident82.1Confident10 Ų1053.4 Ų53.45%0.05131%0.311CS..Hα-helixtrans-67.7-29.2177.6-61.8-57000112.3L87 L106 T112 F113 C119 A123L87-I110 HydrophobicContact CD1-CD1 4.37Å; L87-I110 HydrophobicContact CD1-CG1 3.66Å; L106-I110 WeakPolarHBondContact O-CG1 3.47Å; L106-I110 PolarHBondContact O-N 3.45Å; I110-T112 PolarHBondContact O-N 3.31Å; I110-T112 VanDerWaalsContact O-N 3.13Å; I110-F113 HydrophobicContact CD1-CE2 4.44Å; I110-F113 PolarHBondContact O-N 2.95Å; I110-C119 HydrophobicContact CD1-CB 3.99Å; I110-C119 WeakPolarHBondContact CD1-O 3.33Å; I110-C119 HydrophobicContact CG2-CB 4.36Å; I110-C119 VanDerWaalsContact CG2-SG 3.54Å; I110-A123 HydrophobicContact CD1-CB 3.77Å; I110-A123 HydrophobicContact CG1-CB 4.34Å
111G80.1Confident82.4Confident60 Ų6050.1 Ų50.162%0.61930%0.296SS*.THydrogen-bonded Turntrans-65-7.9173.500000115.1T107 S108 Y109T107-G111 PolarHBondContact O-N 3.1Å; S108-G111 PolarHBondContact O-N 3.3Å; Y109-G111 VanDerWaalsContact C-N 3.25Å; Y109-G111 PolarHBondContact O-N 3.11Å
112T80.4Confident82.4Confident102 Ų10249.2 Ų49.263%0.62629%0.294SS*.THydrogen-bonded Turntrans-89.2-9.3175.872.70000113.9S108 Y109 I110S108-T112 WeakPolarHBondContact O-CG2 3.44Å; Y109-T112 PolarHBondContact O-N 2.83Å; Y109-T112 VanDerWaalsContact O-N 3.13Å; Y109-T112 PolarHBondContact O-OG1 3.36Å; I110-T112 PolarHBondContact O-N 3.31Å; I110-T112 VanDerWaalsContact O-N 3.13Å
113F77.1Confident82.3Confident57 Ų5749.2 Ų49.225%0.2529%0.294CS..SBendtrans-78.6143.9-178.7-77.3-107.7000110.9Y109 I110 E117 C119 A122Y109-F113 HydrophobicContact CD1-CE2 4.4Å; Y109-F113 AromaticContact CE1-CE2 3.87Å; Y109-F113 HydrophobicContact CE1-CE2 3.87Å; Y109-F113 HydrophobicContact CE1-CZ 4.29Å; Y109-F113 HydrophobicContact CE2-CE2 4.32Å; Y109-F113 AromaticContact CZ-CE2 3.83Å; I110-F113 HydrophobicContact CD1-CE2 4.44Å; I110-F113 PolarHBondContact O-N 2.95Å; F113-E117 HydrophobicContact CD1-CB 4.06Å; F113-E117 WeakPolarHBondContact CD1-OE2 3.15Å; F113-C119 HydrophobicContact CB-CB 4.47Å; F113-C119 HydrophobicContact CD1-CB 3.82Å; F113-C119 HydrophobicContact CD2-CB 4.31Å; F113-C119 HydrophobicContact CE1-CB 4.12Å; F113-C119 HydrophobicContact CG-CB 3.93Å; F113-A122 HydrophobicContact CE1-CB 3.91Å; F113-A122 HydrophobicContact CE2-CB 4.19Å; F113-A122 HydrophobicContact CZ-CB 3.38Å
114D78.3Confident82.2Confident113 Ų11348.6 Ų48.660%0.60429%0.291SS*.PPolyproline II helixtrans-75.8147.4178.7-80.4-41.7000110.7G116 E117D114-G116 PolarHBondContact O-N 2.91Å; D114-G116 VanDerWaalsContact O-N 3.16Å; D114-E117 HydrophobicContact CB-CG 4.38Å; D114-E117 PolarHBondContact N-OE2 3.08Å; D114-E117 WeakPolarHBondContact O-CB 3.39Å; D114-E117 PolarHBondContact O-N 3.48Å; D114-E117 VanDerWaalsContact O-N 3.11Å
115P80.7Confident82Confident96 Ų9647.6 Ų47.662%0.62329%0.288SS*.THydrogen-bonded Turntrans-56.3122.8176.3-24.733.8000111.7Y82Y82-P115 HydrophobicContact CD1-CB 4.35Å
116G77.4Confident82.2Confident25 Ų2548.1 Ų48.126%0.25828%0.284SS..THydrogen-bonded Turntrans112.1-14.4-176.300000114.2P81 D114P81-G116 WeakPolarHBondContact CG-O 3.36Å; P81-G116 PolarHBondContact O-N 3.16Å; D114-G116 PolarHBondContact O-N 2.91Å; D114-G116 VanDerWaalsContact O-N 3.16Å
117E80Confident82.1Confident92 Ų9248.1 Ų48.143%0.4328%0.284SS..  trans-86.6135.6179.6-62.4-172.8139.500112.9P81 F113 D114P81-E117 WeakPolarHBondContact CB-O 3.42Å; F113-E117 HydrophobicContact CD1-CB 4.06Å; F113-E117 WeakPolarHBondContact CD1-OE2 3.15Å; D114-E117 HydrophobicContact CB-CG 4.38Å; D114-E117 PolarHBondContact N-OE2 3.08Å; D114-E117 WeakPolarHBondContact O-CB 3.39Å; D114-E117 PolarHBondContact O-N 3.48Å; D114-E117 VanDerWaalsContact O-N 3.11Å
118L80.9Confident82Confident46 Ų4648 Ų4824%0.24128%0.278CS..  trans-76.4125.9173.3-61-179.8000109.7L11 L14 E15 M18 Y80 P81L11-L118 HydrophobicContact CB-CD2 4.18Å; L14-L118 HydrophobicContact CD2-CD1 4.4Å; E15-L118 HydrophobicContact CB-CD1 3.99Å; E15-L118 HydrophobicContact CB-CD2 4.07Å; E15-L118 HydrophobicContact CG-CB 4.41Å; E15-L118 HydrophobicContact CG-CD1 4.34Å; E15-L118 HydrophobicContact CG-CD2 4.47Å; M18-L118 HydrophobicContact CE-CD1 3.42Å; M18-L118 VanDerWaalsContact CE-CD1 3.42Å; Y80-L118 HydrophobicContact CE1-CD2 4.22Å; Y80-L118 WeakPolarHBondContact OH-CA 3.24Å; P81-L118 HydrophobicContact CB-CD2 4.33Å; P81-L118 HydrophobicContact CG-CD2 4.06Å
119C85.6Confident81.8Confident4 Ų449.8 Ų49.83%0.02728%0.282CS..  trans-128.62-168.264.80000115E15 Y80 L85 I110 F113 A122 A123E15-C119 PolarHBondContact OE1-N 2.94Å; Y80-C119 PolarHBondContact OH-N 3.32Å; L85-C119 WeakPolarHBondContact CD2-SG 3.47Å; I110-C119 HydrophobicContact CD1-CB 3.99Å; I110-C119 WeakPolarHBondContact CD1-O 3.33Å; I110-C119 HydrophobicContact CG2-CB 4.36Å; I110-C119 VanDerWaalsContact CG2-SG 3.54Å; F113-C119 HydrophobicContact CB-CB 4.47Å; F113-C119 HydrophobicContact CD1-CB 3.82Å; F113-C119 HydrophobicContact CD2-CB 4.31Å; F113-C119 HydrophobicContact CE1-CB 4.12Å; F113-C119 HydrophobicContact CG-CB 3.93Å; C119-A122 PolarHBondContact O-N 3.18Å; C119-A123 WeakPolarHBondContact O-CB 3.23Å; C119-A123 PolarHBondContact O-N 2.99Å
120V86.3Confident81.8Confident0 Ų049.1 Ų49.10%028%0.284CS..Hα-helixtrans-68.3-42.7177.1-177.50000111.2E15 L19 F57 I59 V74 M76 L85 A122 A123 I124E15-V120 HydrophobicContact CG-CB 4.5Å; E15-V120 VanDerWaalsContact OE1-CB 3.23Å; E15-V120 WeakPolarHBondContact OE1-CB 3.22Å; E15-V120 WeakPolarHBondContact OE1-CG2 3.35Å; E15-V120 PolarHBondContact OE1-N 2.91Å; L19-V120 HydrophobicContact CD1-CB 4.32Å; L19-V120 HydrophobicContact CD1-CG1 3.87Å; L19-V120 HydrophobicContact CD2-CG1 4.06Å; F57-V120 HydrophobicContact CZ-CG1 4.33Å; I59-V120 HydrophobicContact CD1-CG1 4Å; V74-V120 HydrophobicContact CG1-CG1 4.35Å; V74-V120 HydrophobicContact CG1-CG2 3.9Å; V74-V120 HydrophobicContact CG2-CG1 4.36Å; M76-V120 HydrophobicContact CE-CG2 3.59Å; L85-V120 HydrophobicContact CD2-CG2 3.61Å; V120-A122 VanDerWaalsContact C-N 3.27Å; V120-A122 PolarHBondContact O-N 3.45Å; V120-A123 VanDerWaalsContact O-CB 3.3Å; V120-A123 WeakPolarHBondContact O-CB 3.19Å; V120-A123 PolarHBondContact O-N 3.08Å; V120-A123 VanDerWaalsContact O-N 3.15Å; V120-I124 HydrophobicContact CG1-CD1 4.27Å; V120-I124 VanDerWaalsContact O-CG1 3.32Å; V120-I124 WeakPolarHBondContact O-CG1 3.39Å; V120-I124 PolarHBondContact O-N 3.33Å
121C81.4Confident81.7Confident35 Ų3548.7 Ų48.724%0.23628%0.281CS..Hα-helixtrans-62.2-38175.8-630000111.8M22 I124 Q125M22-C121 HydrophobicContact CE-CB 4.48Å; M22-C121 HydrophobicContact SD-CB 4.33Å; C121-I124 PolarHBondContact O-N 3.37Å; C121-Q125 PolarHBondContact O-N 3.15Å; C121-Q125 VanDerWaalsContact O-N 3.08Å
122A82.3Confident81.6Confident20 Ų2047 Ų4717%0.16526%0.262CS..Hα-helixtrans-65.7-40.3174.400000111.9Y109 F113 C119 V120 I124 Q125 W126Y109-A122 HydrophobicContact CE1-CB 4.01Å; Y109-A122 WeakPolarHBondContact CE1-O 3.46Å; F113-A122 HydrophobicContact CE1-CB 3.91Å; F113-A122 HydrophobicContact CE2-CB 4.19Å; F113-A122 HydrophobicContact CZ-CB 3.38Å; C119-A122 PolarHBondContact O-N 3.18Å; V120-A122 VanDerWaalsContact C-N 3.27Å; V120-A122 PolarHBondContact O-N 3.45Å; A122-I124 VanDerWaalsContact C-N 3.3Å; A122-I124 PolarHBondContact O-N 3.02Å; A122-Q125 PolarHBondContact O-N 3.38Å; A122-W126 WeakPolarHBondContact O-CB 3.44Å; A122-W126 PolarHBondContact O-N 2.88Å
123A84.7Confident81.4Confident0 Ų045.4 Ų45.40%026%0.255CS..Hα-helixtrans-58.1-42.8174.600000112.3L87 L106 I110 C119 V120 L127L87-A123 HydrophobicContact CD1-CB 3.57Å; L106-A123 HydrophobicContact CD1-CB 4.02Å; I110-A123 HydrophobicContact CD1-CB 3.77Å; I110-A123 HydrophobicContact CG1-CB 4.34Å; C119-A123 WeakPolarHBondContact O-CB 3.23Å; C119-A123 PolarHBondContact O-N 2.99Å; V120-A123 VanDerWaalsContact O-CB 3.3Å; V120-A123 WeakPolarHBondContact O-CB 3.19Å; V120-A123 PolarHBondContact O-N 3.08Å; V120-A123 VanDerWaalsContact O-N 3.15Å; A123-L127 WeakPolarHBondContact O-CG 3.46Å; A123-L127 PolarHBondContact O-N 2.99Å
124I85Confident81.4Confident2 Ų244.6 Ų44.61%0.0125%0.25CS..Hα-helixtrans-62.7-50.6177.7-68.7168.3000110.4L19 F23 I59 L61 L72 V120 C121 A122 W126 L127 Q128L19-I124 HydrophobicContact CD2-CD1 3.67Å; F23-I124 HydrophobicContact CE2-CD1 3.53Å; F23-I124 HydrophobicContact CZ-CD1 3.79Å; F23-I124 HydrophobicContact CZ-CG2 3.95Å; I59-I124 HydrophobicContact CD1-CD1 3.43Å; I59-I124 VanDerWaalsContact CD1-CD1 3.43Å; I59-I124 HydrophobicContact CD1-CG1 4.04Å; L61-I124 HydrophobicContact CD1-CG2 4.35Å; L61-I124 HydrophobicContact CD2-CG1 4.39Å; L61-I124 HydrophobicContact CD2-CG2 3.77Å; L72-I124 HydrophobicContact CD2-CG1 4.34Å; V120-I124 HydrophobicContact CG1-CD1 4.27Å; V120-I124 VanDerWaalsContact O-CG1 3.32Å; V120-I124 WeakPolarHBondContact O-CG1 3.39Å; V120-I124 PolarHBondContact O-N 3.33Å; C121-I124 PolarHBondContact O-N 3.37Å; A122-I124 VanDerWaalsContact C-N 3.3Å; A122-I124 PolarHBondContact O-N 3.02Å; I124-W126 VanDerWaalsContact C-N 3.33Å; I124-W126 PolarHBondContact O-N 3.42Å; I124-L127 PolarHBondContact O-N 3.41Å; I124-Q128 WeakPolarHBondContact O-CG 2.91Å; I124-Q128 PolarHBondContact O-N 2.72Å
125Q79.9Confident81.1Confident93 Ų9339.8 Ų39.844%0.43522%0.224SC..Hα-helixtrans-60.2-45.8179.2-172.762.258.400110.9C121 A122 L127 Q128 D129C121-Q125 PolarHBondContact O-N 3.15Å; C121-Q125 VanDerWaalsContact O-N 3.08Å; A122-Q125 PolarHBondContact O-N 3.38Å; Q125-L127 VanDerWaalsContact C-N 3.29Å; Q125-L127 PolarHBondContact O-N 3.47Å; Q125-Q128 WeakPolarHBondContact O-CB 3.46Å; Q125-Q128 PolarHBondContact O-N 3.01Å; Q125-Q128 VanDerWaalsContact O-N 3.08Å; Q125-D129 PolarHBondContact NE2-OD1 3.35Å; Q125-D129 PolarHBondContact NE2-OD2 3.32Å; Q125-D129 VanDerWaalsContact O-CG 3.25Å; Q125-D129 PolarHBondContact O-N 3.23Å
126W87.1Confident80.4Confident29 Ų2939.4 Ų39.411%0.1122%0.216CC..Hα-helixtrans-58.2-41.9176.9-175.992.6000111.9G105 L106 Y109 A122 I124 D129 N130 Y134G105-W126 VanDerWaalsContact C-CH2 3.49Å; L106-W126 HydrophobicContact CB-CE3 4.19Å; L106-W126 HydrophobicContact CB-CH2 4.32Å; L106-W126 HydrophobicContact CB-CZ3 3.76Å; L106-W126 HydrophobicContact CD1-CD2 4.42Å; L106-W126 HydrophobicContact CD1-CE3 3.69Å; L106-W126 HydrophobicContact CD1-CZ3 4.13Å; L106-W126 VanDerWaalsContact N-CH2 3.33Å; Y109-W126 HydrophobicContact CD1-CB 3.67Å; Y109-W126 AromaticContact CD1-CD1 3.66Å; Y109-W126 HydrophobicContact CD1-CD2 4.4Å; Y109-W126 AromaticContact CD1-CG 3.62Å; Y109-W126 HydrophobicContact CD1-CG 3.62Å; Y109-W126 AromaticContact CD2-CD1 3.48Å; Y109-W126 VanDerWaalsContact CD2-CD1 3.48Å; Y109-W126 HydrophobicContact CD2-CG 4.27Å; Y109-W126 AromaticContact CD2-NE1 3.95Å; Y109-W126 HydrophobicContact CE1-CB 3.57Å; Y109-W126 AromaticContact CE1-CG 3.96Å; Y109-W126 HydrophobicContact CE1-CG 3.96Å; Y109-W126 AromaticContact CE2-CD1 3.83Å; Y109-W126 HydrophobicContact CG-CB 4.31Å; Y109-W126 AromaticContact CG-CD1 3.37Å; Y109-W126 HydrophobicContact CG-CD2 4.42Å; Y109-W126 AromaticContact CG-CG 3.79Å; Y109-W126 HydrophobicContact CG-CG 3.79Å; Y109-W126 AromaticContact CG-NE1 3.8Å; A122-W126 WeakPolarHBondContact O-CB 3.44Å; A122-W126 PolarHBondContact O-N 2.88Å; I124-W126 VanDerWaalsContact C-N 3.33Å; I124-W126 PolarHBondContact O-N 3.42Å; W126-D129 PolarHBondContact O-N 3.32Å; W126-N130 HydrophobicContact CD2-CB 4.27Å; W126-N130 HydrophobicContact CE3-CB 4.48Å; W126-N130 HydrophobicContact CH2-CB 4.33Å; W126-N130 HydrophobicContact CZ2-CB 4.1Å; W126-N130 PolarHBondContact NE1-ND2 3.21Å; W126-N130 VanDerWaalsContact O-CB 3.26Å; W126-N130 WeakPolarHBondContact O-CB 3.5Å; W126-N130 PolarHBondContact O-N 3.02Å; W126-N130 PolarHBondContact O-ND2 3.23Å; W126-Y134 AromaticContact CH2-CE2 3.88Å; W126-Y134 HydrophobicContact CH2-CE2 3.88Å; W126-Y134 AromaticContact CH2-CZ 3.98Å; W126-Y134 WeakPolarHBondContact CH2-OH 3.49Å; W126-Y134 HydrophobicContact CZ3-CE2 4.48Å
127L86.2Confident79.3Confident0 Ų041.2 Ų41.20%023%0.225CC..Hα-helixtrans-64.7-41.5175.4-76.9166.2000111.8L61 L72 L102 L106 A123 I124 Q125 D129 S131L61-L127 HydrophobicContact CD1-CB 3.96Å; L61-L127 HydrophobicContact CD1-CD1 3.81Å; L72-L127 HydrophobicContact CB-CD1 4.34Å; L72-L127 HydrophobicContact CD1-CD1 3.81Å; L72-L127 HydrophobicContact CD2-CD1 3.77Å; L72-L127 HydrophobicContact CG-CD1 4.17Å; L102-L127 HydrophobicContact CD1-CD2 4.06Å; L102-L127 HydrophobicContact CD2-CD2 3.78Å; L102-L127 HydrophobicContact CG-CD2 4.01Å; L106-L127 HydrophobicContact CD1-CD1 4.41Å; L106-L127 HydrophobicContact CD1-CG 4.16Å; L106-L127 HydrophobicContact CD2-CD1 4.17Å; L106-L127 HydrophobicContact CD2-CD2 4.36Å; L106-L127 HydrophobicContact CD2-CG 4.46Å; A123-L127 WeakPolarHBondContact O-CG 3.46Å; A123-L127 PolarHBondContact O-N 2.99Å; I124-L127 PolarHBondContact O-N 3.41Å; Q125-L127 VanDerWaalsContact C-N 3.29Å; Q125-L127 PolarHBondContact O-N 3.47Å; L127-D129 VanDerWaalsContact C-N 3.33Å; L127-D129 PolarHBondContact O-N 2.91Å; L127-S131 WeakPolarHBondContact O-CA 3.37Å; L127-S131 WeakPolarHBondContact O-CB 3.41Å; L127-S131 PolarHBondContact O-N 3.13Å; L127-S131 PolarHBondContact O-OG 3.41Å
128Q82.3Confident77.6Confident82 Ų8243.3 Ų43.338%0.38323%0.229SC..Hα-helixtrans-60-45.6176.1-71.5174.9-38.600111.2I63 I124 Q125 S131I63-Q128 HydrophobicContact CD1-CG 4.44Å; I124-Q128 WeakPolarHBondContact O-CG 2.91Å; I124-Q128 PolarHBondContact O-N 2.72Å; Q125-Q128 WeakPolarHBondContact O-CB 3.46Å; Q125-Q128 PolarHBondContact O-N 3.01Å; Q125-Q128 VanDerWaalsContact O-N 3.08Å; Q128-S131 PolarHBondContact O-OG 2.77Å
129D78.1Confident75.7Confident107 Ų10749.2 Ų49.257%0.57225%0.253SS*.Hα-helixtrans-75.2-33.4-175.4-61.7-19.4000113.3Q125 W126 L127Q125-D129 PolarHBondContact NE2-OD1 3.35Å; Q125-D129 PolarHBondContact NE2-OD2 3.32Å; Q125-D129 VanDerWaalsContact O-CG 3.25Å; Q125-D129 PolarHBondContact O-N 3.23Å; W126-D129 PolarHBondContact O-N 3.32Å; L127-D129 VanDerWaalsContact C-N 3.33Å; L127-D129 PolarHBondContact O-N 2.91Å
130N81.7Confident73.8Confident59 Ų5956.7 Ų56.732%0.31629%0.291SS..Hα-helixtrans-107.4-14.4-170.1-62.6-91.8000113.6W126 A132 S133 Y134W126-N130 HydrophobicContact CD2-CB 4.27Å; W126-N130 HydrophobicContact CE3-CB 4.48Å; W126-N130 HydrophobicContact CH2-CB 4.33Å; W126-N130 HydrophobicContact CZ2-CB 4.1Å; W126-N130 PolarHBondContact NE1-ND2 3.21Å; W126-N130 VanDerWaalsContact O-CB 3.26Å; W126-N130 WeakPolarHBondContact O-CB 3.5Å; W126-N130 PolarHBondContact O-N 3.02Å; W126-N130 PolarHBondContact O-ND2 3.23Å; N130-A132 VanDerWaalsContact C-N 3.34Å; N130-A132 PolarHBondContact O-N 3.41Å; N130-S133 PolarHBondContact O-N 3.25Å; N130-S133 PolarHBondContact O-OG 2.91Å; N130-Y134 HydrophobicContact CB-CE2 4.18Å; N130-Y134 WeakPolarHBondContact O-CD2 3.49Å; N130-Y134 WeakPolarHBondContact O-CE2 3.44Å
131S79.4Confident71.7Confident0 Ų062.1 Ų62.10%033%0.325CS..Hα-helixtrans-54.3-46.1-175.349.20000112.8I63 L127 Q128 S133 Y134 F135I63-S131 WeakPolarHBondContact CD1-OG 3.46Å; I63-S131 WeakPolarHBondContact CG2-OG 3.4Å; L127-S131 WeakPolarHBondContact O-CA 3.37Å; L127-S131 WeakPolarHBondContact O-CB 3.41Å; L127-S131 PolarHBondContact O-N 3.13Å; L127-S131 PolarHBondContact O-OG 3.41Å; Q128-S131 PolarHBondContact O-OG 2.77Å; S131-S133 PolarHBondContact O-N 2.99Å; S131-S133 VanDerWaalsContact O-N 3.11Å; S131-Y134 WeakPolarHBondContact O-CB 3.16Å; S131-Y134 PolarHBondContact O-N 2.76Å; S131-F135 WeakPolarHBondContact O-CD2 3.26Å; S131-F135 PolarHBondContact O-N 3.16Å
132A79.3Confident69.6Low26 Ų2670.6 Ų70.622%0.21535%0.353CS..Hα-helixtrans-49.7-43.5-174.800000113.3E65 N130 Y134 F135 L136E65-A132 VanDerWaalsContact O-CB 3.23Å; E65-A132 WeakPolarHBondContact O-CB 3.42Å; N130-A132 VanDerWaalsContact C-N 3.34Å; N130-A132 PolarHBondContact O-N 3.41Å; A132-Y134 VanDerWaalsContact C-N 3.26Å; A132-Y134 PolarHBondContact O-N 3.41Å; A132-F135 PolarHBondContact O-N 3.4Å; A132-F135 VanDerWaalsContact O-N 3.14Å; A132-L136 HydrophobicContact CB-CD1 4.29Å; A132-L136 WeakPolarHBondContact O-CB 3.35Å; A132-L136 VanDerWaalsContact O-CG 3.22Å; A132-L136 WeakPolarHBondContact O-CG 3.35Å; A132-L136 PolarHBondContact O-N 3.41Å
133S76Confident67.1Low68 Ų6877.5 Ų77.548%0.47638%0.382SS..Hα-helixtrans-58.8-34.4179.569.60000113.5N130 S131 S137N130-S133 PolarHBondContact O-N 3.25Å; N130-S133 PolarHBondContact O-OG 2.91Å; S131-S133 PolarHBondContact O-N 2.99Å; S131-S133 VanDerWaalsContact O-N 3.11Å; S133-S137 PolarHBondContact O-N 2.82Å; S133-S137 PolarHBondContact O-OG 2.87Å
134Y77.7Confident65Low39 Ų3983.7 Ų83.715%0.15342%0.422CS..Hα-helixtrans-79.4-24.2-179.8-59.8-78.8000113.1Q98 L101 L102 W126 N130 S131 A132 S137Q98-Y134 PolarHBondContact NE2-O 3.44Å; L101-Y134 HydrophobicContact CB-CD1 3.98Å; L101-Y134 HydrophobicContact CB-CE1 3.88Å; L102-Y134 HydrophobicContact CB-CD1 4Å; L102-Y134 HydrophobicContact CB-CD2 4.25Å; L102-Y134 HydrophobicContact CB-CE1 4.3Å; L102-Y134 HydrophobicContact CB-CG 3.97Å; L102-Y134 HydrophobicContact CD1-CD2 4.04Å; L102-Y134 HydrophobicContact CD1-CG 4.22Å; L102-Y134 HydrophobicContact CG-CD2 4.32Å; L102-Y134 HydrophobicContact CG-CG 4.48Å; W126-Y134 AromaticContact CH2-CE2 3.88Å; W126-Y134 HydrophobicContact CH2-CE2 3.88Å; W126-Y134 AromaticContact CH2-CZ 3.98Å; W126-Y134 WeakPolarHBondContact CH2-OH 3.49Å; W126-Y134 HydrophobicContact CZ3-CE2 4.48Å; N130-Y134 HydrophobicContact CB-CE2 4.18Å; N130-Y134 WeakPolarHBondContact O-CD2 3.49Å; N130-Y134 WeakPolarHBondContact O-CE2 3.44Å; S131-Y134 WeakPolarHBondContact O-CB 3.16Å; S131-Y134 PolarHBondContact O-N 2.76Å; A132-Y134 VanDerWaalsContact C-N 3.26Å; A132-Y134 PolarHBondContact O-N 3.41Å; Y134-S137 PolarHBondContact O-OG 3.11Å
135F72.3Confident62.6Low13 Ų1388 Ų886%0.05745%0.452CS..Hα-helixtrans-90.4-35.7175.7-67.6-87.7000112.2P66 V68 I70 E93 L94 S131 A132 S137 R138P66-F135 HydrophobicContact CG-CB 3.54Å; P66-F135 HydrophobicContact CG-CD2 4.48Å; P66-F135 HydrophobicContact CG-CG 4.09Å; V68-F135 HydrophobicContact CB-CD1 4.35Å; V68-F135 HydrophobicContact CB-CE1 4.08Å; V68-F135 HydrophobicContact CB-CZ 4.38Å; V68-F135 HydrophobicContact CG1-CD1 4.07Å; V68-F135 HydrophobicContact CG1-CE1 4.27Å; V68-F135 HydrophobicContact CG2-CD1 3.96Å; V68-F135 HydrophobicContact CG2-CD2 3.89Å; V68-F135 HydrophobicContact CG2-CE1 3.7Å; V68-F135 HydrophobicContact CG2-CE2 3.7Å; V68-F135 HydrophobicContact CG2-CG 4.06Å; V68-F135 HydrophobicContact CG2-CZ 3.58Å; I70-F135 HydrophobicContact CD1-CE2 3.73Å; I70-F135 HydrophobicContact CD1-CZ 3.9Å; I70-F135 HydrophobicContact CG1-CE2 4.17Å; I70-F135 HydrophobicContact CG1-CZ 3.83Å; E93-F135 HydrophobicContact CB-CD1 3.85Å; E93-F135 HydrophobicContact CB-CE1 3.75Å; L94-F135 HydrophobicContact CD1-CE1 4.22Å; L94-F135 HydrophobicContact CD1-CE2 4.47Å; L94-F135 HydrophobicContact CD1-CZ 3.78Å; L94-F135 HydrophobicContact CD2-CD1 3.83Å; L94-F135 HydrophobicContact CD2-CD2 4.27Å; L94-F135 HydrophobicContact CD2-CE1 3.57Å; L94-F135 HydrophobicContact CD2-CE2 3.98Å; L94-F135 HydrophobicContact CD2-CG 4.17Å; L94-F135 HydrophobicContact CD2-CZ 3.63Å; L94-F135 HydrophobicContact CG-CD1 4.16Å; L94-F135 HydrophobicContact CG-CE1 3.44Å; L94-F135 VanDerWaalsContact CG-CE1 3.44Å; L94-F135 HydrophobicContact CG-CE2 4.32Å; L94-F135 HydrophobicContact CG-CZ 3.51Å; S131-F135 WeakPolarHBondContact O-CD2 3.26Å; S131-F135 PolarHBondContact O-N 3.16Å; A132-F135 PolarHBondContact O-N 3.4Å; A132-F135 VanDerWaalsContact O-N 3.14Å; F135-S137 VanDerWaalsContact C-N 3.3Å; F135-S137 PolarHBondContact O-N 2.91Å; F135-R138 VanDerWaalsContact O-CB 3.27Å; F135-R138 WeakPolarHBondContact O-CB 3.43Å; F135-R138 PolarHBondContact O-N 3.32Å
136L64.8Low61Low88 Ų8890.1 Ų90.146%0.46147%0.472SS..Hα-helixtrans-73.1-22.4-178.3-68.2172.7000113.1A132 R138 K139A132-L136 HydrophobicContact CB-CD1 4.29Å; A132-L136 WeakPolarHBondContact O-CB 3.35Å; A132-L136 VanDerWaalsContact O-CG 3.22Å; A132-L136 WeakPolarHBondContact O-CG 3.35Å; A132-L136 PolarHBondContact O-N 3.41Å; L136-R138 PolarHBondContact O-N 2.86Å; L136-K139 PolarHBondContact O-N 3.46Å
137S55.1Low59.1Low63 Ų6398 Ų9844%0.44151%0.51SS..THydrogen-bonded Turntrans-62.2-11.3170.626.30000113.2S133 Y134 F135S133-S137 PolarHBondContact O-N 2.82Å; S133-S137 PolarHBondContact O-OG 2.87Å; Y134-S137 PolarHBondContact O-OG 3.11Å; F135-S137 VanDerWaalsContact C-N 3.3Å; F135-S137 PolarHBondContact O-N 2.91Å
138R43.4Very low56.7Low136 Ų136102.7 Ų102.751%0.51355%0.549SS..THydrogen-bonded Turntrans-79.1-22.9170.6-157.6168.4174.2-170.8-6.1113.9E93 F135 L136E93-R138 PolarHBondContact O-NH1 2.95Å; F135-R138 VanDerWaalsContact O-CB 3.27Å; F135-R138 WeakPolarHBondContact O-CB 3.43Å; F135-R138 PolarHBondContact O-N 3.32Å; L136-R138 PolarHBondContact O-N 2.86Å
139K41.8Very low54.9Low169 Ų169108 Ų10874%0.73557%0.571SS**SBendtrans-95.4-5.7-170.1-77-168.1176.8-175.50115.5L136L136-K139 PolarHBondContact O-N 3.46Å
140L44.4Very low53.2Low161 Ų161106.2 Ų106.284%0.84357%0.565SS**SBendtrans-88.2-5176.1-70.7171.7000113.6
141V42.6Very low51.8Low115 Ų115108.4 Ų108.470%0.69758%0.58SS**SBendtrans-110.3104.1173.8-171.50000107.5
142Y37.6Very low50.9Low212 Ų212114.2 Ų114.283%0.83161%0.606SS**SBendtrans82.680.7166.2-114.6-95.2000118.2
143E29.7Very low50.6Low165 Ų165115.7 Ų115.777%0.77161%0.61SS**  -149.1122.2127.5-77.7-159.2157.100109.6S145E143-S145 VanDerWaalsContact C-N 3.31Å; E143-S145 PolarHBondContact O-N 3.3Å
144P41.7Very low50.9Low130 Ų130114.5 Ų114.584%0.84460%0.6SS**  trans-78.385.9166.531.5-27.8000107.7
145S34.3Very low51.5Low93 Ų93112.7 Ų112.765%0.6559%0.593SS**  trans-109.2112.8168.369.40000110.7E143E143-S145 VanDerWaalsContact C-N 3.31Å; E143-S145 PolarHBondContact O-N 3.3Å
146T44.8Very low52.4Low137 Ų137112.9 Ų112.984%0.8459%0.594SS**  trans-49.9131170.321.90000112.2
147Q47.2Very low53.7Low194 Ų194109.4 Ų109.491%0.90758%0.575SS**  trans72.289.1163.5-59.4-176-5.500117.2
148A37.5Very low55.4Low100 Ų100107 Ų10783%0.82656%0.557SS**  trans-143.3145.1148.400000109.7
149K43.9Very low57.7Low193 Ų193100.6 Ų100.684%0.83953%0.533SS*.  trans-50.1150.7-174.8-68.9174.9179.9177.50112.6V151K149-V151 PolarHBondContact O-N 3.32Å; K149-V151 VanDerWaalsContact O-N 3.15Å
150P41.9Very low60Low69 Ų6992.6 Ų92.645%0.44850%0.498SS..  trans-63.1118-16925.2-34.1000111.4K152 E230P150-K152 PolarHBondContact O-N 3.5Å; P150-E230 HydrophobicContact CB-CB 3.53Å; P150-E230 HydrophobicContact CB-CG 3.52Å; P150-E230 VanDerWaalsContact CB-OE2 3.25Å; P150-E230 WeakPolarHBondContact CB-OE2 3.48Å; P150-E230 HydrophobicContact CG-CG 4.17Å; P150-E230 WeakPolarHBondContact CG-OE1 3.2Å; P150-E230 VanDerWaalsContact CG-OE2 3.28Å; P150-E230 WeakPolarHBondContact CG-OE2 3.47Å
151V52.2Low61.9Low106 Ų10687.8 Ų87.864%0.64247%0.469SS*.  trans-70.8111.9164.9-177.50000105.6K149 N153K149-V151 PolarHBondContact O-N 3.32Å; K149-V151 VanDerWaalsContact O-N 3.15Å; V151-N153 WeakPolarHBondContact CG1-OD1 3.46Å; V151-N153 PolarHBondContact O-N 3.47Å
152K61.1Low63.9Low122 Ų12282.6 Ų82.653%0.5344%0.438SS..  trans-6999173.5-73-179.9161.9-148.70108.4P150 E228 T229 E230P150-K152 PolarHBondContact O-N 3.5Å; K152-E228 IonicContact NZ-OE2 3.4Å; K152-E228 PolarHBondContact NZ-OE2 3.32Å; K152-T229 CarbonylContact C-O 3.56Å; K152-E230 HydrophobicContact CG-CG 4.42Å
153N73.4Confident65.6Low56 Ų5676.5 Ų76.530%0.29942%0.417SS..EExtended strand (participates in β ladder)trans-82.3147.4172.3-66.4-20.5000109.3V151 F200 E228 T229V151-N153 WeakPolarHBondContact CG1-OD1 3.46Å; V151-N153 PolarHBondContact O-N 3.47Å; N153-F200 HydrophobicContact CB-CD1 3.79Å; N153-F200 HydrophobicContact CB-CE1 3.49Å; N153-F200 VanDerWaalsContact CB-CE1 3.49Å; N153-F200 HydrophobicContact CB-CZ 4.47Å; N153-E228 CarbonylContact O-C 3.51Å; N153-E228 WeakPolarHBondContact O-CA 3.36Å; N153-T229 HydrophobicContact CB-CG2 4.24Å; N153-T229 PolarHBondContact N-O 3.2Å; N153-T229 PolarHBondContact O-N 2.78Å
154T82.4Confident67.9Low44 Ų4472.4 Ų72.427%0.2740%0.398SS..EExtended strand (participates in β ladder)trans-98.5114.1173.6-57.60000109K201T154-K201 HydrophobicContact CG2-CB 4.22Å; T154-K201 HydrophobicContact CG2-CD 4.21Å; T154-K201 WeakPolarHBondContact O-CB 2.99Å; T154-K201 PolarHBondContact O-N 2.95Å
155F89.4Confident69.7Low1 Ų166.2 Ų66.20%0.00436%0.358CS..EExtended strand (participates in β ladder)trans-81.5134167.8-168.4-84.5000109E198 S226 M227 T229 G233 L236 R237F155-E198 HydrophobicContact CE1-CB 3.88Å; F155-E198 HydrophobicContact CE1-CG 4.44Å; F155-E198 HydrophobicContact CZ-CB 3.87Å; F155-E198 HydrophobicContact CZ-CG 4.02Å; F155-S226 CarbonylContact O-C 3.53Å; F155-S226 VanDerWaalsContact O-CA 3.3Å; F155-S226 WeakPolarHBondContact O-CA 3.5Å; F155-M227 HydrophobicContact CB-CB 4.49Å; F155-M227 HydrophobicContact CD1-CE 3.45Å; F155-M227 VanDerWaalsContact CD1-CE 3.45Å; F155-M227 HydrophobicContact CE1-CE 3.95Å; F155-M227 HydrophobicContact CG-CE 4.33Å; F155-M227 PolarHBondContact N-O 2.83Å; F155-M227 PolarHBondContact O-N 3.4Å; F155-T229 HydrophobicContact CB-CG2 4.32Å; F155-G233 WeakPolarHBondContact CE2-O 3.36Å; F155-L236 HydrophobicContact CB-CD1 3.56Å; F155-L236 HydrophobicContact CD1-CB 3.97Å; F155-L236 HydrophobicContact CD1-CD1 4.32Å; F155-L236 HydrophobicContact CD2-CB 4.02Å; F155-L236 HydrophobicContact CD2-CD1 4.17Å; F155-L236 HydrophobicContact CE1-CB 4Å; F155-L236 HydrophobicContact CE2-CB 4.07Å; F155-L236 HydrophobicContact CG-CB 3.96Å; F155-L236 HydrophobicContact CG-CD1 3.78Å; F155-L236 HydrophobicContact CZ-CB 4.05Å; F155-R237 HydrophobicContact CE2-CG 3.95Å; F155-R237 HydrophobicContact CZ-CG 3.88Å
156L90.3Very high71.7Confident17 Ų1766 Ų669%0.08934%0.343CS..EExtended strand (participates in β ladder)trans-127.6132.9-178-176.266.8000109.6M158 E198 G199 K201 C204 E205 A224 E225L156-M158 HydrophobicContact CD2-CG 3.77Å; L156-M158 HydrophobicContact CD2-SD 3.84Å; L156-M158 HydrophobicContact CG-CG 3.88Å; L156-E198 VanDerWaalsContact O-CA 3.3Å; L156-E198 WeakPolarHBondContact O-CA 3.48Å; L156-G199 PolarHBondContact N-O 3.29Å; L156-G199 PolarHBondContact O-N 2.92Å; L156-G199 VanDerWaalsContact O-N 3.12Å; L156-G199 VanDerWaalsContact O-O 3.11Å; L156-K201 HydrophobicContact CB-CB 4.19Å; L156-K201 HydrophobicContact CD2-CG 4.19Å; L156-C204 HydrophobicContact CB-CB 4.21Å; L156-C204 HydrophobicContact CD2-CB 3.84Å; L156-C204 HydrophobicContact CG-CB 4.25Å; L156-C204 PolarHBondContact O-SG 3.13Å; L156-E205 HydrophobicContact CD2-CG 4.3Å; L156-A224 HydrophobicContact CD1-CB 4.2Å; L156-E225 CarbonylContact C-O 3.56Å; L156-E225 WeakPolarHBondContact CA-O 3.39Å
157R93.3Very high73.1Confident15 Ų1565.7 Ų65.76%0.05733%0.332CS..EExtended strand (participates in β ladder)trans-116.9121.3166.9-178177.9-44.41224.9109.6W159 V197 E198 A224 E225 L236R157-W159 HydrophobicContact CG-CZ2 4.21Å; R157-V197 CarbonylContact C-O 3.6Å; R157-V197 WeakPolarHBondContact CA-O 3.43Å; R157-E198 HydrophobicContact CB-CB 3.93Å; R157-E198 HydrophobicContact CG-CB 3.92Å; R157-E198 IonicContact CZ-OE2 2.73Å; R157-E198 IonicContact NE-OE2 3.95Å; R157-E198 PolarHBondContact NE-OE2 3.05Å; R157-E198 IonicContact NH2-OE2 3.77Å; R157-E198 PolarHBondContact NH2-OE2 3.14Å; R157-A224 CarbonylContact O-C 3.55Å; R157-A224 VanDerWaalsContact O-CA 3.25Å; R157-A224 WeakPolarHBondContact O-CA 3.48Å; R157-E225 HydrophobicContact CB-CB 4.36Å; R157-E225 WeakPolarHBondContact CD-OE2 3.28Å; R157-E225 IonicContact CZ-OE2 3.21Å; R157-E225 PolarHBondContact N-O 2.94Å; R157-E225 IonicContact NE-OE2 2.78Å; R157-E225 IonicContact NH1-OE2 2.86Å; R157-E225 PolarHBondContact NH1-OE2 2.89Å; R157-E225 PolarHBondContact O-N 2.79Å; R157-L236 PolarHBondContact NH2-O 2.94Å
158M91.5Very high74.5Confident13 Ų1364 Ų646%0.06432%0.324CS..EExtended strand (participates in β ladder)trans-110.9135.7178.7-55.617767.300110.8L156 I160 C196 V197 C204 W208 C221L156-M158 HydrophobicContact CD2-CG 3.77Å; L156-M158 HydrophobicContact CD2-SD 3.84Å; L156-M158 HydrophobicContact CG-CG 3.88Å; M158-I160 HydrophobicContact CB-CD1 4.46Å; M158-I160 HydrophobicContact CB-CG1 4.44Å; M158-C196 WeakPolarHBondContact O-CA 3.46Å; M158-V197 HydrophobicContact CB-CG1 3.74Å; M158-V197 HydrophobicContact CG-CG1 4.35Å; M158-V197 PolarHBondContact N-O 3.25Å; M158-V197 PolarHBondContact O-N 3.47Å; M158-V197 HydrophobicContact SD-CG1 4.46Å; M158-C204 HydrophobicContact SD-CB 4.13Å; M158-W208 HydrophobicContact CE-CB 3.79Å; M158-W208 HydrophobicContact CE-CD2 4.25Å; M158-W208 HydrophobicContact CE-CG 3.69Å; M158-W208 HydrophobicContact SD-CB 4.12Å; M158-C221 HydrophobicContact CE-CB 4.13Å; M158-C221 VanDerWaalsContact CE-SG 3.56Å
159W90.8Very high76.4Confident0 Ų065.7 Ų65.70%032%0.32CS..EExtended strand (participates in β ladder)trans-113.4111.3177.5-58.895.1000109.2R157 F186 C196 K222 H223 E225 F239 L270 V278 L282R157-W159 HydrophobicContact CG-CZ2 4.21Å; W159-F186 HydrophobicContact CH2-CE1 4.48Å; W159-F186 AromaticContact CZ3-CE1 3.93Å; W159-F186 HydrophobicContact CZ3-CE1 3.93Å; W159-F186 AromaticContact CZ3-CZ 3.88Å; W159-F186 HydrophobicContact CZ3-CZ 3.88Å; W159-C196 HydrophobicContact CD2-CB 4.42Å; W159-C196 HydrophobicContact CE3-CB 3.7Å; W159-C196 HydrophobicContact CH2-CB 4.26Å; W159-C196 HydrophobicContact CZ3-CB 3.62Å; W159-K222 PolarHBondContact O-N 2.75Å; W159-H223 HydrophobicContact CB-CB 4.06Å; W159-H223 AromaticContact CD1-CD2 3.71Å; W159-H223 HydrophobicContact CG-CB 4.34Å; W159-H223 PolarHBondContact N-O 3.05Å; W159-H223 PolarHBondContact O-N 2.71Å; W159-E225 PolarHBondContact NE1-OE2 2.97Å; W159-E225 VanDerWaalsContact NE1-OE2 3.14Å; W159-F239 HydrophobicContact CH2-CE2 4.13Å; W159-F239 HydrophobicContact CH2-CZ 4.15Å; W159-L270 HydrophobicContact CH2-CD2 3.84Å; W159-L270 HydrophobicContact CZ3-CD2 3.78Å; W159-V278 HydrophobicContact CB-CG1 4.06Å; W159-V278 HydrophobicContact CD2-CB 4.28Å; W159-V278 HydrophobicContact CD2-CG1 3.46Å; W159-V278 VanDerWaalsContact CD2-CG1 3.46Å; W159-V278 HydrophobicContact CD2-CG2 4.06Å; W159-V278 HydrophobicContact CE3-CG1 3.65Å; W159-V278 HydrophobicContact CG-CG1 3.64Å; W159-V278 HydrophobicContact CG-CG2 4.38Å; W159-V278 HydrophobicContact CH2-CG2 4.36Å; W159-V278 HydrophobicContact CZ2-CB 4.37Å; W159-V278 HydrophobicContact CZ2-CG1 4.39Å; W159-V278 HydrophobicContact CZ2-CG2 3.72Å; W159-V278 HydrophobicContact CZ3-CG1 4.17Å; W159-L282 HydrophobicContact CB-CD2 4.27Å
160I90.1Very high78.1Confident1 Ų157.3 Ų57.31%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-114.1124.7-168.8-61.9159.8000108.6M158 I194 I195 V197 F207 W208 I211 I219 C221M158-I160 HydrophobicContact CB-CD1 4.46Å; M158-I160 HydrophobicContact CB-CG1 4.44Å; I160-I194 WeakPolarHBondContact O-CA 3.02Å; I160-I195 HydrophobicContact CB-CB 4.13Å; I160-I195 PolarHBondContact N-O 2.63Å; I160-I195 PolarHBondContact O-N 3.36Å; I160-V197 HydrophobicContact CD1-CG1 4.15Å; I160-F207 HydrophobicContact CD1-CE1 4.41Å; I160-W208 HydrophobicContact CB-CZ3 4.45Å; I160-W208 HydrophobicContact CD1-CD2 4.42Å; I160-W208 HydrophobicContact CD1-CE3 3.58Å; I160-W208 HydrophobicContact CD1-CZ3 4.02Å; I160-W208 HydrophobicContact CG1-CE3 4.04Å; I160-W208 HydrophobicContact CG1-CZ3 4.07Å; I160-W208 HydrophobicContact CG2-CE3 4.26Å; I160-W208 HydrophobicContact CG2-CH2 4.21Å; I160-W208 HydrophobicContact CG2-CZ3 3.53Å; I160-I211 HydrophobicContact CD1-CD1 4.16Å; I160-I219 HydrophobicContact CG2-CD1 3.61Å; I160-I219 HydrophobicContact CG2-CG1 3.41Å; I160-I219 VanDerWaalsContact CG2-CG1 3.41Å; I160-C221 HydrophobicContact CG1-CB 4.32Å
161Y85.3Confident80.1Confident60 Ų6056.9 Ų56.924%0.23527%0.273CS..EExtended strand (participates in β ladder)trans-101132.5177.1179.8-89.2000110.2P192 I219 S220 K222 F283Y161-P192 HydrophobicContact CD2-CB 4.33Å; Y161-P192 HydrophobicContact CE2-CB 3.46Å; Y161-P192 VanDerWaalsContact CE2-CB 3.46Å; Y161-P192 HydrophobicContact CE2-CG 4.04Å; Y161-I219 CarbonylContact O-C 3.47Å; Y161-I219 WeakPolarHBondContact O-CA 3.13Å; Y161-S220 PolarHBondContact N-O 3.13Å; Y161-S220 PolarHBondContact O-N 3.11Å; Y161-K222 VanDerWaalsContact CB-CG 3.5Å; Y161-K222 HydrophobicContact CG-CG 4.43Å; Y161-F283 HydrophobicContact CE2-CE1 4.21Å
162S83.9Confident81.6Confident7 Ų758.3 Ų58.35%0.04927%0.271CS..EExtended strand (participates in β ladder)trans-121.4144.8166.6-179.40000109.7H164 G193 H218S162-H164 PolarHBondContact O-N 3.04Å; S162-H164 PolarHBondContact OG-N 3.15Å; S162-H164 PolarHBondContact OG-O 3.24Å; S162-G193 PolarHBondContact N-O 3.19Å; S162-G193 PolarHBondContact O-N 2.93Å; S162-G193 VanDerWaalsContact O-O 3.07Å; S162-H218 WeakPolarHBondContact CA-O 3.27Å
163H73.4Confident82.8Confident83 Ų8355.6 Ų55.638%0.38426%0.259SS..SBendtrans-59.2-36.6171.6-169.3176.2000111.3H218H163-H218 HydrophobicContact CB-CB 3.92Å; H163-H218 PolarHBondContact N-O 2.87Å
164H78.3Confident83.5Confident80 Ų8052.9 Ų52.937%0.3725%0.245SC..  trans-160.1153.317247.7-85.7000112.2S162 Y166 G190 K191S162-H164 PolarHBondContact O-N 3.04Å; S162-H164 PolarHBondContact OG-N 3.15Å; S162-H164 PolarHBondContact OG-O 3.24Å; H164-Y166 HydrophobicContact CB-CD2 3.79Å; H164-Y166 HydrophobicContact CB-CE1 4.41Å; H164-Y166 HydrophobicContact CB-CE2 3.56Å; H164-Y166 HydrophobicContact CB-CG 4.32Å; H164-Y166 AromaticContact CD2-CD2 3.71Å; H164-Y166 AromaticContact CG-CD2 3.93Å; H164-Y166 AromaticContact CG-CE2 3.89Å; H164-G190 CarbonylContact C-O 3.56Å; H164-G190 WeakPolarHBondContact CA-O 3.49Å; H164-K191 HydrophobicContact CB-CB 4.48Å
165I79.6Confident83.8Confident0 Ų052.3 Ų52.30%024%0.24CC..BIsolated β-bridgetrans-130.287.6171.6-62.9169.7000107.9L170 R171 I174 T189 G190 I195I165-L170 HydrophobicContact CG2-CD2 4.25Å; I165-R171 HydrophobicContact CG2-CG 3.88Å; I165-R171 PolarHBondContact O-NE 3.49Å; I165-R171 PolarHBondContact O-NH2 2.94Å; I165-I174 HydrophobicContact CD1-CD1 4.4Å; I165-I174 HydrophobicContact CG2-CD1 4.19Å; I165-T189 HydrophobicContact CG2-CG2 3.91Å; I165-T189 WeakPolarHBondContact O-CB 3.38Å; I165-G190 PolarHBondContact N-O 2.77Å; I165-G190 PolarHBondContact O-N 3.47Å; I165-G190 VanDerWaalsContact O-N 3.11Å; I165-I195 HydrophobicContact CD1-CD1 3.9Å; I165-I195 HydrophobicContact CD1-CG1 3.76Å
166Y75.3Confident83.7Confident88 Ų8856.2 Ų56.235%0.34526%0.26SS..  trans-108.1-35.3-177-63.2-41.6000114.3H164 Q168 R171 K191H164-Y166 HydrophobicContact CB-CD2 3.79Å; H164-Y166 HydrophobicContact CB-CE1 4.41Å; H164-Y166 HydrophobicContact CB-CE2 3.56Å; H164-Y166 HydrophobicContact CB-CG 4.32Å; H164-Y166 AromaticContact CD2-CD2 3.71Å; H164-Y166 AromaticContact CG-CD2 3.93Å; H164-Y166 AromaticContact CG-CE2 3.89Å; Y166-Q168 PolarHBondContact O-N 3.24Å; Y166-R171 PolarHBondContact O-NE 2.86Å; Y166-K191 HydrophobicContact CE1-CB 4.45Å; Y166-K191 WeakPolarHBondContact OH-CB 3.42Å
167Q75.3Confident83.5Confident131 Ų13155.8 Ų55.861%0.61226%0.259SS*.  trans-65.1126.2-175.3-76.7179.2-10.300111.2D169 L170 R171Q167-D169 PolarHBondContact O-N 2.83Å; Q167-L170 HydrophobicContact CB-CB 3.73Å; Q167-L170 HydrophobicContact CB-CD2 4.46Å; Q167-L170 WeakPolarHBondContact O-CB 3.29Å; Q167-L170 PolarHBondContact O-N 3.04Å; Q167-R171 WeakPolarHBondContact O-CG 3.48Å; Q167-R171 PolarHBondContact O-N 2.97Å; Q167-R171 VanDerWaalsContact O-N 3.14Å
168Q76.8Confident83.2Confident157 Ų15755.1 Ų55.173%0.73426%0.256SS*.Hα-helixtrans-63.7-39.3-178.9-73-177.2-1300112.7Y166 L170 R171 K172Y166-Q168 PolarHBondContact O-N 3.24Å; Q168-L170 PolarHBondContact O-N 2.89Å; Q168-R171 PolarHBondContact O-N 3.41Å; Q168-K172 WeakPolarHBondContact O-CB 3.09Å; Q168-K172 PolarHBondContact O-N 3.31Å
169D77Confident82.9Confident137 Ų13761.5 Ų61.573%0.73328%0.283SS*.Hα-helixtrans-60.2-35.4176-62.3-33.4000111.9Q167 K173Q167-D169 PolarHBondContact O-N 2.83Å; D169-K173 VanDerWaalsContact O-CB 3.27Å; D169-K173 WeakPolarHBondContact O-CB 3.31Å; D169-K173 PolarHBondContact O-N 3.47Å
170L78.3Confident82.7Confident17 Ų1766.6 Ų66.69%0.08930%0.303CS..Hα-helixtrans-62.7-52175.4-14573.8000111.5I165 Q167 Q168 K172 K173 I174 W216I165-L170 HydrophobicContact CG2-CD2 4.25Å; Q167-L170 HydrophobicContact CB-CB 3.73Å; Q167-L170 HydrophobicContact CB-CD2 4.46Å; Q167-L170 WeakPolarHBondContact O-CB 3.29Å; Q167-L170 PolarHBondContact O-N 3.04Å; Q168-L170 PolarHBondContact O-N 2.89Å; L170-K172 VanDerWaalsContact C-N 3.33Å; L170-K172 PolarHBondContact O-N 3.14Å; L170-K173 PolarHBondContact O-N 3.11Å; L170-I174 WeakPolarHBondContact O-CD1 3.49Å; L170-I174 VanDerWaalsContact O-CG1 3.23Å; L170-I174 WeakPolarHBondContact O-CG1 3.4Å; L170-I174 PolarHBondContact O-N 3.35Å; L170-W216 HydrophobicContact CB-CH2 4.36Å; L170-W216 HydrophobicContact CD1-CD2 3.45Å; L170-W216 VanDerWaalsContact CD1-CD2 3.45Å; L170-W216 HydrophobicContact CD1-CE3 3.7Å; L170-W216 HydrophobicContact CD1-CG 4.26Å; L170-W216 HydrophobicContact CD1-CH2 3.35Å; L170-W216 HydrophobicContact CD1-CZ2 3.01Å; L170-W216 HydrophobicContact CD1-CZ3 3.65Å; L170-W216 HydrophobicContact CD2-CD2 4.13Å; L170-W216 HydrophobicContact CD2-CE3 3.61Å; L170-W216 HydrophobicContact CD2-CH2 4.03Å; L170-W216 HydrophobicContact CD2-CZ2 4.47Å; L170-W216 HydrophobicContact CD2-CZ3 3.55Å; L170-W216 HydrophobicContact CG-CD2 4.03Å; L170-W216 HydrophobicContact CG-CE3 3.72Å; L170-W216 HydrophobicContact CG-CH2 3.22Å; L170-W216 HydrophobicContact CG-CZ2 3.52Å; L170-W216 HydrophobicContact CG-CZ3 3.3Å
171R83.8Confident82.3Confident59 Ų5967.6 Ų67.622%0.22331%0.308CS..Hα-helixtrans-59.4-48.2-179.7-63.4173.9-177.3-166.6-2.1110I165 Y166 Q167 Q168 K173 I174 L175 T189 E244I165-R171 HydrophobicContact CG2-CG 3.88Å; I165-R171 PolarHBondContact O-NE 3.49Å; I165-R171 PolarHBondContact O-NH2 2.94Å; Y166-R171 PolarHBondContact O-NE 2.86Å; Q167-R171 WeakPolarHBondContact O-CG 3.48Å; Q167-R171 PolarHBondContact O-N 2.97Å; Q167-R171 VanDerWaalsContact O-N 3.14Å; Q168-R171 PolarHBondContact O-N 3.41Å; R171-K173 PolarHBondContact O-N 3.24Å; R171-I174 PolarHBondContact O-N 3.46Å; R171-L175 WeakPolarHBondContact O-CG 3.31Å; R171-L175 PolarHBondContact O-N 2.94Å; R171-T189 HydrophobicContact CB-CG2 4.46Å; R171-T189 HydrophobicContact CG-CG2 3.61Å; R171-E244 IonicContact NH1-OE1 3.22Å
172K84.8Confident82.2Confident136 Ų13670.2 Ų70.259%0.59133%0.326SS*.Hα-helixtrans-60.1-46.3177.1-172.9174.4179.1-1790111.4Q168 L170 I174 L175 D176Q168-K172 WeakPolarHBondContact O-CB 3.09Å; Q168-K172 PolarHBondContact O-N 3.31Å; L170-K172 VanDerWaalsContact C-N 3.33Å; L170-K172 PolarHBondContact O-N 3.14Å; K172-I174 VanDerWaalsContact C-N 3.35Å; K172-I174 PolarHBondContact O-N 3.31Å; K172-L175 PolarHBondContact O-N 2.81Å; K172-D176 WeakPolarHBondContact CG-OD2 3.39Å; K172-D176 VanDerWaalsContact O-CB 3.28Å; K172-D176 WeakPolarHBondContact O-CB 3.31Å; K172-D176 PolarHBondContact O-N 3.48Å
173K85.3Confident82.6Confident65 Ų6570.1 Ų70.128%0.28333%0.325SS..Hα-helixtrans-58.9-44176.3-177.2177.9170.7-165.60112D169 L170 R171 D176 V177 T210 Y213 W216D169-K173 VanDerWaalsContact O-CB 3.27Å; D169-K173 WeakPolarHBondContact O-CB 3.31Å; D169-K173 PolarHBondContact O-N 3.47Å; L170-K173 PolarHBondContact O-N 3.11Å; R171-K173 PolarHBondContact O-N 3.24Å; K173-D176 PolarHBondContact O-N 3.42Å; K173-V177 HydrophobicContact CG-CG2 4.2Å; K173-V177 VanDerWaalsContact O-CB 3.31Å; K173-V177 WeakPolarHBondContact O-CB 3.39Å; K173-V177 WeakPolarHBondContact O-CG2 3.38Å; K173-V177 PolarHBondContact O-N 2.96Å; K173-T210 VanDerWaalsContact CE-O 3.29Å; K173-T210 WeakPolarHBondContact CE-O 3.46Å; K173-T210 PolarHBondContact NZ-O 3.49Å; K173-Y213 PolarHBondContact NZ-O 3.45Å; K173-W216 HydrophobicContact CD-CZ2 4.23Å
174I88.1Confident83.5Confident0 Ų066.6 Ų66.60%031%0.31CS..Hα-helixtrans-61-49179-65.5160.5000110.4I165 L170 R171 K172 V177 G178 C187 I195 F207 I211 W216 F242I165-I174 HydrophobicContact CD1-CD1 4.4Å; I165-I174 HydrophobicContact CG2-CD1 4.19Å; L170-I174 WeakPolarHBondContact O-CD1 3.49Å; L170-I174 VanDerWaalsContact O-CG1 3.23Å; L170-I174 WeakPolarHBondContact O-CG1 3.4Å; L170-I174 PolarHBondContact O-N 3.35Å; R171-I174 PolarHBondContact O-N 3.46Å; K172-I174 VanDerWaalsContact C-N 3.35Å; K172-I174 PolarHBondContact O-N 3.31Å; I174-V177 PolarHBondContact O-N 3.39Å; I174-G178 PolarHBondContact O-N 3.47Å; I174-C187 HydrophobicContact CG2-CB 3.82Å; I174-I195 HydrophobicContact CD1-CD1 3.76Å; I174-I195 HydrophobicContact CG1-CD1 4.25Å; I174-I195 HydrophobicContact CG2-CD1 4.28Å; I174-I195 HydrophobicContact CG2-CG2 4.38Å; I174-F207 HydrophobicContact CG2-CE2 4.45Å; I174-F207 HydrophobicContact CG2-CZ 3.89Å; I174-I211 HydrophobicContact CG1-CG2 4.2Å; I174-W216 HydrophobicContact CD1-CH2 3.96Å; I174-W216 HydrophobicContact CD1-CZ3 3.89Å; I174-W216 HydrophobicContact CG1-CH2 3.78Å; I174-W216 HydrophobicContact CG1-CZ3 4.15Å; I174-F242 HydrophobicContact CG2-CE1 3.89Å; I174-F242 HydrophobicContact CG2-CZ 3.94Å
175L88.9Confident84.3Confident32 Ų3263 Ų6317%0.16829%0.294CS..Hα-helixtrans-65.1-43.3179.7-65.4171.7000112.2R171 K172 V177 G178 K179 F242 E244R171-L175 WeakPolarHBondContact O-CG 3.31Å; R171-L175 PolarHBondContact O-N 2.94Å; K172-L175 PolarHBondContact O-N 2.81Å; L175-V177 VanDerWaalsContact C-N 3.35Å; L175-G178 PolarHBondContact O-N 3.42Å; L175-K179 WeakPolarHBondContact O-CG 3.37Å; L175-K179 PolarHBondContact O-N 2.8Å; L175-F242 HydrophobicContact CD2-CD1 3.94Å; L175-F242 HydrophobicContact CD2-CE1 4.03Å; L175-E244 HydrophobicContact CD1-CB 4.34Å; L175-E244 HydrophobicContact CD2-CB 4.35Å
176D87.8Confident85Confident82 Ų8263.2 Ų63.244%0.43930%0.295SS..Hα-helixtrans-64.6-40.2179.4-72.5-12.9000111.2K172 K173 R180K172-D176 WeakPolarHBondContact CG-OD2 3.39Å; K172-D176 VanDerWaalsContact O-CB 3.28Å; K172-D176 WeakPolarHBondContact O-CB 3.31Å; K172-D176 PolarHBondContact O-N 3.48Å; K173-D176 PolarHBondContact O-N 3.42Å; D176-R180 WeakPolarHBondContact O-CB 3.4Å; D176-R180 PolarHBondContact O-N 3.03Å
177V85.7Confident85.8Confident9 Ų959 Ų596%0.05528%0.278CS..Hα-helixtrans-68.8-40.7176.9174.70000111.1K173 I174 L175 R180 L181 F207 T210K173-V177 HydrophobicContact CG-CG2 4.2Å; K173-V177 VanDerWaalsContact O-CB 3.31Å; K173-V177 WeakPolarHBondContact O-CB 3.39Å; K173-V177 WeakPolarHBondContact O-CG2 3.38Å; K173-V177 PolarHBondContact O-N 2.96Å; I174-V177 PolarHBondContact O-N 3.39Å; L175-V177 VanDerWaalsContact C-N 3.35Å; V177-R180 PolarHBondContact O-N 2.89Å; V177-L181 HydrophobicContact CG1-CD1 3.63Å; V177-L181 HydrophobicContact CG1-CG 4.36Å; V177-L181 WeakPolarHBondContact O-CB 3.44Å; V177-L181 WeakPolarHBondContact O-CG 3.42Å; V177-L181 PolarHBondContact O-N 3.08Å; V177-F207 HydrophobicContact CB-CD2 4.37Å; V177-F207 HydrophobicContact CB-CE2 4.49Å; V177-F207 HydrophobicContact CG1-CB 4.49Å; V177-F207 HydrophobicContact CG1-CD2 3.68Å; V177-F207 HydrophobicContact CG1-CE2 4.26Å; V177-F207 HydrophobicContact CG1-CG 4.3Å; V177-T210 HydrophobicContact CB-CG2 4.47Å; V177-T210 HydrophobicContact CG1-CG2 4.01Å; V177-T210 HydrophobicContact CG2-CG2 3.55Å
178G87.6Confident86.5Confident0 Ų052.9 Ų52.90%025%0.25CC..Hα-helixtrans-57.8-50.5175.600000112I174 L175 R180 L181 D182 V183I174-G178 PolarHBondContact O-N 3.47Å; L175-G178 PolarHBondContact O-N 3.42Å; G178-R180 PolarHBondContact O-N 3.43Å; G178-L181 PolarHBondContact O-N 3.27Å; G178-D182 PolarHBondContact O-N 2.87Å; G178-V183 WeakPolarHBondContact O-CG2 3.28Å; G178-V183 PolarHBondContact O-N 3.25Å
179K85.8Confident86.8Confident147 Ų14745.8 Ų45.864%0.63922%0.217SC*.Hα-helixtrans-62.4-40.8176.1-69.9176.8-178.4179.10112.9L175 L181 D182L175-K179 WeakPolarHBondContact O-CG 3.37Å; L175-K179 PolarHBondContact O-N 2.8Å; K179-L181 VanDerWaalsContact C-N 3.33Å; K179-L181 PolarHBondContact O-N 3.32Å; K179-D182 PolarHBondContact O-N 2.91Å
180R85.6Confident86.9Confident108 Ų10839.3 Ų39.341%0.40818%0.183SC..Hα-helixtrans-66.1-33.7-178.6-178.218064.790.52.7113D176 V177 G178D176-R180 WeakPolarHBondContact O-CB 3.4Å; D176-R180 PolarHBondContact O-N 3.03Å; V177-R180 PolarHBondContact O-N 2.89Å; G178-R180 PolarHBondContact O-N 3.43Å
181L82.7Confident86.8Confident21 Ų2141.1 Ų41.111%0.1119%0.19CC..THydrogen-bonded Turntrans-96.46-176.3-64.9173.5000113.4V177 G178 K179 V183 H203 E206 F207V177-L181 HydrophobicContact CG1-CD1 3.63Å; V177-L181 HydrophobicContact CG1-CG 4.36Å; V177-L181 WeakPolarHBondContact O-CB 3.44Å; V177-L181 WeakPolarHBondContact O-CG 3.42Å; V177-L181 PolarHBondContact O-N 3.08Å; G178-L181 PolarHBondContact O-N 3.27Å; K179-L181 VanDerWaalsContact C-N 3.33Å; K179-L181 PolarHBondContact O-N 3.32Å; L181-V183 HydrophobicContact CB-CG1 4.26Å; L181-V183 HydrophobicContact CB-CG2 4.37Å; L181-V183 PolarHBondContact O-N 3.17Å; L181-V183 VanDerWaalsContact O-N 3.14Å; L181-H203 HydrophobicContact CB-CB 4.46Å; L181-H203 PolarHBondContact O-ND1 2.9Å; L181-E206 HydrophobicContact CD1-CB 4.21Å; L181-E206 HydrophobicContact CD1-CG 3.89Å; L181-E206 HydrophobicContact CD2-CB 4.48Å; L181-E206 HydrophobicContact CD2-CG 3.79Å; L181-F207 HydrophobicContact CD1-CB 3.75Å
182D83.3Confident86.5Confident115 Ų11539.1 Ų39.162%0.61519%0.185SC*.THydrogen-bonded Turntrans51.735.6-178.3-162.540000113.5G178 K179 R237G178-D182 PolarHBondContact O-N 2.87Å; K179-D182 PolarHBondContact O-N 2.91Å; D182-R237 PolarHBondContact O-NH2 3.04Å
183V91.4Very high86.6Confident5 Ų532.7 Ų32.73%0.0316%0.156CC..  trans-95.5151.9172.4-64.10000109.2G178 L181 V197 H203 F207 F242G178-V183 WeakPolarHBondContact O-CG2 3.28Å; G178-V183 PolarHBondContact O-N 3.25Å; L181-V183 HydrophobicContact CB-CG1 4.26Å; L181-V183 HydrophobicContact CB-CG2 4.37Å; L181-V183 PolarHBondContact O-N 3.17Å; L181-V183 VanDerWaalsContact O-N 3.14Å; V183-V197 HydrophobicContact CB-CG2 3.66Å; V183-V197 HydrophobicContact CG1-CG2 4.07Å; V183-V197 HydrophobicContact CG2-CG2 3.57Å; V183-H203 HydrophobicContact CG1-CB 3.59Å; V183-F207 HydrophobicContact CG2-CD2 3.85Å; V183-F207 HydrophobicContact CG2-CE2 4.4Å; V183-F207 HydrophobicContact CG2-CG 4.5Å; V183-F242 HydrophobicContact CG2-CD2 4.16Å; V183-F242 HydrophobicContact CG2-CE2 4.5Å; V183-F242 WeakPolarHBondContact O-CB 3.38Å
184T92.4Very high86.8Confident10 Ų1029.6 Ų29.66%0.06114%0.143CC..EExtended strand (participates in β ladder)trans-112.9169.7175.957.90000110.4V197 E198 R237 F239T184-V197 CarbonylContact O-C 3.52Å; T184-V197 WeakPolarHBondContact O-CA 3.25Å; T184-E198 PolarHBondContact N-O 3.3Å; T184-E198 PolarHBondContact O-N 3.4Å; T184-E198 VanDerWaalsContact OG1-CG 3.22Å; T184-E198 WeakPolarHBondContact OG1-CG 3.4Å; T184-E198 PolarHBondContact OG1-OE1 3Å; T184-R237 VanDerWaalsContact CG2-NH1 3.35Å; T184-R237 PolarHBondContact OG1-NH1 3.15Å; T184-F239 WeakPolarHBondContact CB-O 3.21Å; T184-F239 PolarHBondContact OG1-O 3.28Å
185G94.8Very high87Confident3 Ų329.6 Ų29.63%0.03114%0.143CC..EExtended strand (participates in β ladder)trans135.2-148.9-177.300000111.8C196 S241 F242 E243G185-C196 CarbonylContact C-O 3.52Å; G185-C196 WeakPolarHBondContact CA-O 3.46Å; G185-S241 PolarHBondContact N-O 3.29Å; G185-F242 WeakPolarHBondContact O-CA 3.47Å; G185-E243 PolarHBondContact O-N 3.13Å
186F94.3Very high87.3Confident5 Ų528 Ų282%0.02214%0.135CC..EExtended strand (participates in β ladder)trans-153.8158.1-177.565-92.6000112.8W159 M188 I194 I195 C196 F239 E243 L245 F266 F269W159-F186 HydrophobicContact CH2-CE1 4.48Å; W159-F186 AromaticContact CZ3-CE1 3.93Å; W159-F186 HydrophobicContact CZ3-CE1 3.93Å; W159-F186 AromaticContact CZ3-CZ 3.88Å; W159-F186 HydrophobicContact CZ3-CZ 3.88Å; F186-M188 HydrophobicContact CD2-CB 4.31Å; F186-M188 HydrophobicContact CE2-CB 4.29Å; F186-I194 HydrophobicContact CE2-CG2 4.1Å; F186-I194 HydrophobicContact CZ-CG2 4.42Å; F186-I195 WeakPolarHBondContact O-CA 3.32Å; F186-C196 HydrophobicContact CD1-CB 3.62Å; F186-C196 HydrophobicContact CE1-CB 3.24Å; F186-C196 HydrophobicContact CE2-CB 4.3Å; F186-C196 HydrophobicContact CG-CB 4.28Å; F186-C196 HydrophobicContact CZ-CB 3.63Å; F186-C196 PolarHBondContact N-O 2.88Å; F186-C196 PolarHBondContact O-N 3.28Å; F186-F239 HydrophobicContact CD1-CD1 4.09Å; F186-F239 HydrophobicContact CD1-CD2 4.47Å; F186-F239 AromaticContact CD1-CE1 3.75Å; F186-F239 HydrophobicContact CD1-CE1 3.75Å; F186-F239 HydrophobicContact CD1-CE2 4.16Å; F186-F239 HydrophobicContact CD1-CG 4.45Å; F186-F239 AromaticContact CD1-CZ 3.8Å; F186-F239 HydrophobicContact CD1-CZ 3.8Å; F186-F239 AromaticContact CE1-CE1 3.85Å; F186-F239 HydrophobicContact CE1-CE1 3.85Å; F186-F239 HydrophobicContact CE1-CE2 4Å; F186-F239 AromaticContact CE1-CZ 3.51Å; F186-F239 HydrophobicContact CE1-CZ 3.51Å; F186-E243 CarbonylContact C-O 3.6Å; F186-E243 WeakPolarHBondContact CA-O 3.47Å; F186-L245 HydrophobicContact CB-CB 4.16Å; F186-L245 HydrophobicContact CD2-CB 3.97Å; F186-L245 HydrophobicContact CD2-CD2 3.86Å; F186-L245 HydrophobicContact CE2-CD2 4.01Å; F186-L245 HydrophobicContact CG-CB 4.31Å; F186-L245 HydrophobicContact CG-CD2 4.36Å; F186-F266 AromaticContact CE2-CE2 3.81Å; F186-F266 HydrophobicContact CE2-CE2 3.81Å; F186-F266 HydrophobicContact CE2-CZ 4.4Å; F186-F266 AromaticContact CZ-CE2 3.74Å; F186-F266 HydrophobicContact CZ-CE2 3.74Å; F186-F266 HydrophobicContact CZ-CZ 4.15Å; F186-F269 AromaticContact CD1-CE1 3.75Å; F186-F269 HydrophobicContact CD1-CE1 3.75Å; F186-F269 HydrophobicContact CD1-CZ 4.03Å; F186-F269 AromaticContact CE1-CE1 3.61Å; F186-F269 HydrophobicContact CE1-CE1 3.61Å; F186-F269 HydrophobicContact CE1-CZ 4.34Å; F186-F269 HydrophobicContact CG-CE1 4.34Å; F186-F269 HydrophobicContact CG-CZ 4.49Å; F186-F269 HydrophobicContact CZ-CE1 4.08Å
187C92.2Very high87.7Confident1 Ų124.1 Ų24.11%0.00711%0.114CC..EExtended strand (participates in β ladder)trans-118.4108.7166.4177.60000109.3I174 F242 E243 E244 L245I174-C187 HydrophobicContact CG2-CB 3.82Å; C187-F242 HydrophobicContact CB-CE1 4.46Å; C187-E243 PolarHBondContact N-O 3.19Å; C187-E244 WeakPolarHBondContact O-CA 3.48Å; C187-L245 PolarHBondContact O-N 3.14Å
188M89.4Confident88Confident1 Ų123.7 Ų23.71%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-86.2111.8169.8-168.8-177.678.200108.9F186 P192 G193 I194 L245 L247 M261 F266F186-M188 HydrophobicContact CD2-CB 4.31Å; F186-M188 HydrophobicContact CE2-CB 4.29Å; M188-P192 WeakPolarHBondContact CE-O 3.43Å; M188-G193 WeakPolarHBondContact O-CA 3.23Å; M188-I194 HydrophobicContact CB-CB 4.21Å; M188-I194 HydrophobicContact CE-CB 4.08Å; M188-I194 HydrophobicContact CE-CD1 3.37Å; M188-I194 HydrophobicContact CE-CG1 3.68Å; M188-I194 PolarHBondContact N-O 3.45Å; M188-I194 PolarHBondContact O-N 3.29Å; M188-I194 HydrophobicContact SD-CD1 4.48Å; M188-L245 HydrophobicContact CB-CB 4.26Å; M188-L245 HydrophobicContact CB-CD2 4.36Å; M188-L245 HydrophobicContact CG-CD2 4.44Å; M188-L247 HydrophobicContact SD-CD1 3.61Å; M188-L247 HydrophobicContact SD-CG 4.45Å; M188-M261 HydrophobicContact CE-CB 4.22Å; M188-M261 HydrophobicContact CE-CG 4.29Å; M188-M261 HydrophobicContact CG-CE 3.79Å; M188-M261 HydrophobicContact SD-CE 4.18Å; M188-F266 HydrophobicContact SD-CB 4.36Å; M188-F266 HydrophobicContact SD-CD2 3.65Å; M188-F266 HydrophobicContact SD-CE2 4.16Å; M188-F266 HydrophobicContact SD-CG 4.02Å
189T84.4Confident88.2Confident9 Ų923.8 Ų23.86%0.05511%0.112CC..  trans-88.6156.7-179.469.20000110.3I165 R171 E244 M261I165-T189 HydrophobicContact CG2-CG2 3.91Å; I165-T189 WeakPolarHBondContact O-CB 3.38Å; R171-T189 HydrophobicContact CB-CG2 4.46Å; R171-T189 HydrophobicContact CG-CG2 3.61Å; T189-E244 HydrophobicContact CG2-CG 4.09Å; T189-E244 WeakPolarHBondContact CG2-OE1 3.22Å; T189-E244 PolarHBondContact OG1-OE1 3.37Å; T189-M261 WeakPolarHBondContact O-CG 3.37Å
190G78.7Confident88.2Confident1 Ų118.8 Ų18.81%0.019%0.091CC..BIsolated β-bridgetrans115.5-156.6-174.300000113.6H164 I165 P192 G193H164-G190 CarbonylContact C-O 3.56Å; H164-G190 WeakPolarHBondContact CA-O 3.49Å; I165-G190 PolarHBondContact N-O 2.77Å; I165-G190 PolarHBondContact O-N 3.47Å; I165-G190 VanDerWaalsContact O-N 3.11Å; G190-P192 CarbonylContact O-C 3.53Å; G190-G193 PolarHBondContact O-N 3.01Å
191K75.3Confident88.2Confident55 Ų5517.6 Ų17.624%0.2399%0.088CC..BIsolated β-bridgetrans-124.3117.4177.5176.9-175.7-179.5-164.50109.9H164 Y166 D258 M261H164-K191 HydrophobicContact CB-CB 4.48Å; Y166-K191 HydrophobicContact CE1-CB 4.45Å; Y166-K191 WeakPolarHBondContact OH-CB 3.42Å; K191-D258 IonicContact NZ-OD1 3.4Å; K191-D258 PolarHBondContact NZ-OD1 2.73Å; K191-M261 PolarHBondContact O-N 3.29Å
192P77.9Confident88.2Confident17 Ų1722 Ų2211%0.1111%0.109CC..SBendcis-71.8158.6-8.727.2-24.5000111.8Y161 M188 G190 F283Y161-P192 HydrophobicContact CD2-CB 4.33Å; Y161-P192 HydrophobicContact CE2-CB 3.46Å; Y161-P192 VanDerWaalsContact CE2-CB 3.46Å; Y161-P192 HydrophobicContact CE2-CG 4.04Å; M188-P192 WeakPolarHBondContact CE-O 3.43Å; G190-P192 CarbonylContact O-C 3.53Å; P192-F283 HydrophobicContact CG-CE1 3.62Å; P192-F283 HydrophobicContact CG-CZ 4.21Å
193G86.5Confident88.3Confident0 Ų020 Ų200%010%0.095CC..EExtended strand (participates in β ladder)trans-89.6133.9170.800000110.2S162 M188 G190S162-G193 PolarHBondContact N-O 3.19Å; S162-G193 PolarHBondContact O-N 2.93Å; S162-G193 VanDerWaalsContact O-O 3.07Å; M188-G193 WeakPolarHBondContact O-CA 3.23Å; G190-G193 PolarHBondContact O-N 3.01Å
194I89.8Confident88Confident0 Ų019.7 Ų19.70%09%0.093CC..EExtended strand (participates in β ladder)trans-129.7133.7-178.4-58.4172.7000108.9I160 F186 M188 F266 L282 F283I160-I194 WeakPolarHBondContact O-CA 3.02Å; F186-I194 HydrophobicContact CE2-CG2 4.1Å; F186-I194 HydrophobicContact CZ-CG2 4.42Å; M188-I194 HydrophobicContact CB-CB 4.21Å; M188-I194 HydrophobicContact CE-CB 4.08Å; M188-I194 HydrophobicContact CE-CD1 3.37Å; M188-I194 HydrophobicContact CE-CG1 3.68Å; M188-I194 PolarHBondContact N-O 3.45Å; M188-I194 PolarHBondContact O-N 3.29Å; M188-I194 HydrophobicContact SD-CD1 4.48Å; I194-F266 HydrophobicContact CB-CZ 4.48Å; I194-F266 HydrophobicContact CD1-CD1 3.96Å; I194-F266 HydrophobicContact CD1-CE1 3.36Å; I194-F266 HydrophobicContact CD1-CE2 4.25Å; I194-F266 HydrophobicContact CD1-CZ 3.55Å; I194-F266 HydrophobicContact CG2-CZ 3.97Å; I194-L282 HydrophobicContact CD1-CD1 4.23Å; I194-L282 HydrophobicContact CG2-CD1 3.95Å; I194-F283 HydrophobicContact CD1-CE1 4.39Å; I194-F283 HydrophobicContact CD1-CZ 3.68Å
195I93.3Very high87.6Confident0 Ų023.8 Ų23.80%011%0.112CC..EExtended strand (participates in β ladder)trans-124.1125.5175.1-52168.7000107.4I160 I165 I174 F186 F207 I211 I219 F242I160-I195 HydrophobicContact CB-CB 4.13Å; I160-I195 PolarHBondContact N-O 2.63Å; I160-I195 PolarHBondContact O-N 3.36Å; I165-I195 HydrophobicContact CD1-CD1 3.9Å; I165-I195 HydrophobicContact CD1-CG1 3.76Å; I174-I195 HydrophobicContact CD1-CD1 3.76Å; I174-I195 HydrophobicContact CG1-CD1 4.25Å; I174-I195 HydrophobicContact CG2-CD1 4.28Å; I174-I195 HydrophobicContact CG2-CG2 4.38Å; F186-I195 WeakPolarHBondContact O-CA 3.32Å; I195-F207 HydrophobicContact CG2-CE1 3.87Å; I195-F207 HydrophobicContact CG2-CZ 3.88Å; I195-I211 HydrophobicContact CD1-CD1 3.76Å; I195-I219 HydrophobicContact CD1-CD1 4.19Å; I195-F242 HydrophobicContact CG2-CZ 4.27Å
196C95.3Very high87.1Confident0 Ų026.9 Ų26.90%013%0.125CC..EExtended strand (participates in β ladder)trans-106.2131164.2-176.80000107.8M158 W159 G185 F186 F239M158-C196 WeakPolarHBondContact O-CA 3.46Å; W159-C196 HydrophobicContact CD2-CB 4.42Å; W159-C196 HydrophobicContact CE3-CB 3.7Å; W159-C196 HydrophobicContact CH2-CB 4.26Å; W159-C196 HydrophobicContact CZ3-CB 3.62Å; G185-C196 CarbonylContact C-O 3.52Å; G185-C196 WeakPolarHBondContact CA-O 3.46Å; F186-C196 HydrophobicContact CD1-CB 3.62Å; F186-C196 HydrophobicContact CE1-CB 3.24Å; F186-C196 HydrophobicContact CE2-CB 4.3Å; F186-C196 HydrophobicContact CG-CB 4.28Å; F186-C196 HydrophobicContact CZ-CB 3.63Å; F186-C196 PolarHBondContact N-O 2.88Å; F186-C196 PolarHBondContact O-N 3.28Å; C196-F239 HydrophobicContact CB-CE2 4.32Å; C196-F239 VanDerWaalsContact SG-CE2 3.5Å
197V95.9Very high86.8Confident0 Ų026.6 Ų26.60%012%0.124CC..EExtended strand (participates in β ladder)trans-130.7131.5172.8600000108.8R157 M158 I160 V183 T184 F207 F242R157-V197 CarbonylContact C-O 3.6Å; R157-V197 WeakPolarHBondContact CA-O 3.43Å; M158-V197 HydrophobicContact CB-CG1 3.74Å; M158-V197 HydrophobicContact CG-CG1 4.35Å; M158-V197 PolarHBondContact N-O 3.25Å; M158-V197 PolarHBondContact O-N 3.47Å; M158-V197 HydrophobicContact SD-CG1 4.46Å; I160-V197 HydrophobicContact CD1-CG1 4.15Å; V183-V197 HydrophobicContact CB-CG2 3.66Å; V183-V197 HydrophobicContact CG1-CG2 4.07Å; V183-V197 HydrophobicContact CG2-CG2 3.57Å; T184-V197 CarbonylContact O-C 3.52Å; T184-V197 WeakPolarHBondContact O-CA 3.25Å; V197-F207 HydrophobicContact CB-CD1 3.91Å; V197-F207 HydrophobicContact CB-CE1 3.9Å; V197-F207 HydrophobicContact CB-CG 4.38Å; V197-F207 HydrophobicContact CB-CZ 4.36Å; V197-F207 HydrophobicContact CG1-CD1 3.77Å; V197-F207 HydrophobicContact CG1-CE1 3.99Å; V197-F207 HydrophobicContact CG2-CB 4.22Å; V197-F207 HydrophobicContact CG2-CD1 3.85Å; V197-F207 HydrophobicContact CG2-CD2 4.09Å; V197-F207 HydrophobicContact CG2-CE1 4.19Å; V197-F207 HydrophobicContact CG2-CE2 4.44Å; V197-F207 HydrophobicContact CG2-CG 3.8Å; V197-F207 HydrophobicContact CG2-CZ 4.47Å; V197-F242 HydrophobicContact CB-CE2 4.33Å; V197-F242 HydrophobicContact CG2-CE2 4.36Å
198E92.6Very high86.6Confident0 Ų028.5 Ų28.50%013%0.131CC..EExtended strand (participates in β ladder)trans-139.1147.2177.471.7-177.1175.500112.4F155 L156 R157 T184 C204 R237 L238 F239F155-E198 HydrophobicContact CE1-CB 3.88Å; F155-E198 HydrophobicContact CE1-CG 4.44Å; F155-E198 HydrophobicContact CZ-CB 3.87Å; F155-E198 HydrophobicContact CZ-CG 4.02Å; L156-E198 VanDerWaalsContact O-CA 3.3Å; L156-E198 WeakPolarHBondContact O-CA 3.48Å; R157-E198 HydrophobicContact CB-CB 3.93Å; R157-E198 HydrophobicContact CG-CB 3.92Å; R157-E198 IonicContact CZ-OE2 2.73Å; R157-E198 IonicContact NE-OE2 3.95Å; R157-E198 PolarHBondContact NE-OE2 3.05Å; R157-E198 IonicContact NH2-OE2 3.77Å; R157-E198 PolarHBondContact NH2-OE2 3.14Å; T184-E198 PolarHBondContact N-O 3.3Å; T184-E198 PolarHBondContact O-N 3.4Å; T184-E198 VanDerWaalsContact OG1-CG 3.22Å; T184-E198 WeakPolarHBondContact OG1-CG 3.4Å; T184-E198 PolarHBondContact OG1-OE1 3Å; E198-C204 VanDerWaalsContact C-SG 3.6Å; E198-R237 PolarHBondContact O-NH1 2.84Å; E198-R237 WeakPolarHBondContact OE1-CA 3.39Å; E198-L238 PolarHBondContact OE1-N 2.89Å; E198-L238 PolarHBondContact OE2-N 3.3Å; E198-F239 WeakPolarHBondContact OE1-CA 3.33Å; E198-F239 WeakPolarHBondContact OE1-CB 3.25Å; E198-F239 WeakPolarHBondContact OE1-CD2 3.47Å; E198-F239 PolarHBondContact OE1-N 3.22Å
199G90.9Very high86.3Confident1 Ų133.5 Ų33.51%0.0115%0.154CC..EExtended strand (participates in β ladder)trans157.6-163.6-173.100000110.3L156 C204L156-G199 PolarHBondContact N-O 3.29Å; L156-G199 PolarHBondContact O-N 2.92Å; L156-G199 VanDerWaalsContact O-N 3.12Å; L156-G199 VanDerWaalsContact O-O 3.11Å; G199-C204 PolarHBondContact N-SG 3.17Å; G199-C204 VanDerWaalsContact N-SG 3.36Å
200F86.7Confident86Confident43 Ų4333.9 Ų33.919%0.18916%0.157CC..EExtended strand (participates in β ladder)trans-66.4144.5173.3-67.5-62.9000111.4N153 E202 H203 C204 T229 N232N153-F200 HydrophobicContact CB-CD1 3.79Å; N153-F200 HydrophobicContact CB-CE1 3.49Å; N153-F200 VanDerWaalsContact CB-CE1 3.49Å; N153-F200 HydrophobicContact CB-CZ 4.47Å; F200-E202 PolarHBondContact O-N 2.76Å; F200-E202 VanDerWaalsContact O-N 3.15Å; F200-H203 PolarHBondContact O-N 2.87Å; F200-C204 PolarHBondContact O-N 3.12Å; F200-T229 HydrophobicContact CE1-CG2 4.13Å; F200-N232 WeakPolarHBondContact CZ-O 3.36Å
201K85.3Confident86.2Confident82 Ų8233.9 Ų33.936%0.35716%0.156SC..Hα-helixtrans-48.5-45.7-173.8178.3179.6175.2-173.20112.2T154 L156 H203 C204 E205T154-K201 HydrophobicContact CG2-CB 4.22Å; T154-K201 HydrophobicContact CG2-CD 4.21Å; T154-K201 WeakPolarHBondContact O-CB 2.99Å; T154-K201 PolarHBondContact O-N 2.95Å; L156-K201 HydrophobicContact CB-CB 4.19Å; L156-K201 HydrophobicContact CD2-CG 4.19Å; K201-H203 VanDerWaalsContact C-N 3.33Å; K201-H203 PolarHBondContact O-N 3.37Å; K201-C204 PolarHBondContact O-N 3.13Å; K201-E205 WeakPolarHBondContact CE-OE1 3.49Å; K201-E205 HydrophobicContact CG-CG 4.36Å; K201-E205 IonicContact NZ-OE1 3.92Å; K201-E205 WeakPolarHBondContact O-CB 3.22Å; K201-E205 WeakPolarHBondContact O-CG 3.47Å; K201-E205 PolarHBondContact O-N 3.3Å
202E81.1Confident86.1Confident115 Ų11537 Ų3754%0.53717%0.167SC..Hα-helixtrans-61.4-42.3-177.4-56.973.9-158.700111.3F200 E206F200-E202 PolarHBondContact O-N 2.76Å; F200-E202 VanDerWaalsContact O-N 3.15Å; E202-E206 WeakPolarHBondContact O-CB 3.46Å; E202-E206 PolarHBondContact O-N 3.23Å; E202-E206 VanDerWaalsContact O-N 3.08Å
203H85.8Confident85.1Confident71 Ų7143.6 Ų43.633%0.32919%0.19SC..Hα-helixtrans-73-38.6-179.8-62.9-176.5000111.8L181 V183 F200 K201 F207L181-H203 HydrophobicContact CB-CB 4.46Å; L181-H203 PolarHBondContact O-ND1 2.9Å; V183-H203 HydrophobicContact CG1-CB 3.59Å; F200-H203 PolarHBondContact O-N 2.87Å; K201-H203 VanDerWaalsContact C-N 3.33Å; K201-H203 PolarHBondContact O-N 3.37Å; H203-F207 VanDerWaalsContact O-CB 3.31Å; H203-F207 WeakPolarHBondContact O-CB 3.3Å; H203-F207 PolarHBondContact O-N 2.83Å
204C84.6Confident83.2Confident0 Ų047.9 Ų47.90%022%0.218CC..Hα-helixtrans-66.7-40.4176.3-72.40000112.2L156 M158 E198 G199 F200 K201 F207 W208L156-C204 HydrophobicContact CB-CB 4.21Å; L156-C204 HydrophobicContact CD2-CB 3.84Å; L156-C204 HydrophobicContact CG-CB 4.25Å; L156-C204 PolarHBondContact O-SG 3.13Å; M158-C204 HydrophobicContact SD-CB 4.13Å; E198-C204 VanDerWaalsContact C-SG 3.6Å; G199-C204 PolarHBondContact N-SG 3.17Å; G199-C204 VanDerWaalsContact N-SG 3.36Å; F200-C204 PolarHBondContact O-N 3.12Å; K201-C204 PolarHBondContact O-N 3.13Å; C204-F207 WeakPolarHBondContact O-CB 3.49Å; C204-F207 PolarHBondContact O-N 2.96Å; C204-W208 WeakPolarHBondContact O-CB 3.43Å; C204-W208 PolarHBondContact O-N 2.85Å
205E84.9Confident81Confident96 Ų9655.5 Ų55.545%0.44926%0.259SS..Hα-helixtrans-66.9-42.2175.9-74.1179.6169.200111.7L156 K201 W208 H209L156-E205 HydrophobicContact CD2-CG 4.3Å; K201-E205 WeakPolarHBondContact CE-OE1 3.49Å; K201-E205 HydrophobicContact CG-CG 4.36Å; K201-E205 IonicContact NZ-OE1 3.92Å; K201-E205 WeakPolarHBondContact O-CB 3.22Å; K201-E205 WeakPolarHBondContact O-CG 3.47Å; K201-E205 PolarHBondContact O-N 3.3Å; E205-W208 PolarHBondContact O-N 3.12Å; E205-H209 WeakPolarHBondContact O-CB 3.27Å; E205-H209 PolarHBondContact O-N 3.36Å
206E83.8Confident79.2Confident67 Ų6757.6 Ų57.631%0.31327%0.267SS..Hα-helixtrans-65.3-38174.7176.259.4-168.200112.1L181 E202 T210L181-E206 HydrophobicContact CD1-CB 4.21Å; L181-E206 HydrophobicContact CD1-CG 3.89Å; L181-E206 HydrophobicContact CD2-CB 4.48Å; L181-E206 HydrophobicContact CD2-CG 3.79Å; E202-E206 WeakPolarHBondContact O-CB 3.46Å; E202-E206 PolarHBondContact O-N 3.23Å; E202-E206 VanDerWaalsContact O-N 3.08Å; E206-T210 VanDerWaalsContact O-CB 3.31Å; E206-T210 WeakPolarHBondContact O-CB 3.3Å; E206-T210 PolarHBondContact O-N 2.78Å; E206-T210 PolarHBondContact O-OG1 2.9Å; E206-T210 PolarHBondContact OE1-OG1 3.03Å
207F89.6Confident76.9Confident0 Ų066.2 Ų66.20%031%0.305CS..Hα-helixtrans-58.4-51.8172.1177-82.9000110.1I160 I174 V177 L181 V183 I195 V197 H203 C204 H209 T210 I211 F242I160-F207 HydrophobicContact CD1-CE1 4.41Å; I174-F207 HydrophobicContact CG2-CE2 4.45Å; I174-F207 HydrophobicContact CG2-CZ 3.89Å; V177-F207 HydrophobicContact CB-CD2 4.37Å; V177-F207 HydrophobicContact CB-CE2 4.49Å; V177-F207 HydrophobicContact CG1-CB 4.49Å; V177-F207 HydrophobicContact CG1-CD2 3.68Å; V177-F207 HydrophobicContact CG1-CE2 4.26Å; V177-F207 HydrophobicContact CG1-CG 4.3Å; L181-F207 HydrophobicContact CD1-CB 3.75Å; V183-F207 HydrophobicContact CG2-CD2 3.85Å; V183-F207 HydrophobicContact CG2-CE2 4.4Å; V183-F207 HydrophobicContact CG2-CG 4.5Å; I195-F207 HydrophobicContact CG2-CE1 3.87Å; I195-F207 HydrophobicContact CG2-CZ 3.88Å; V197-F207 HydrophobicContact CB-CD1 3.91Å; V197-F207 HydrophobicContact CB-CE1 3.9Å; V197-F207 HydrophobicContact CB-CG 4.38Å; V197-F207 HydrophobicContact CB-CZ 4.36Å; V197-F207 HydrophobicContact CG1-CD1 3.77Å; V197-F207 HydrophobicContact CG1-CE1 3.99Å; V197-F207 HydrophobicContact CG2-CB 4.22Å; V197-F207 HydrophobicContact CG2-CD1 3.85Å; V197-F207 HydrophobicContact CG2-CD2 4.09Å; V197-F207 HydrophobicContact CG2-CE1 4.19Å; V197-F207 HydrophobicContact CG2-CE2 4.44Å; V197-F207 HydrophobicContact CG2-CG 3.8Å; V197-F207 HydrophobicContact CG2-CZ 4.47Å; H203-F207 VanDerWaalsContact O-CB 3.31Å; H203-F207 WeakPolarHBondContact O-CB 3.3Å; H203-F207 PolarHBondContact O-N 2.83Å; C204-F207 WeakPolarHBondContact O-CB 3.49Å; C204-F207 PolarHBondContact O-N 2.96Å; F207-H209 PolarHBondContact O-N 3.39Å; F207-T210 PolarHBondContact O-N 3.07Å; F207-I211 HydrophobicContact CD1-CD1 4.15Å; F207-I211 HydrophobicContact CD1-CG1 4.49Å; F207-I211 HydrophobicContact CE1-CD1 3.57Å; F207-I211 HydrophobicContact CE1-CG1 4.32Å; F207-I211 HydrophobicContact CE1-CG2 4.37Å; F207-I211 HydrophobicContact CZ-CD1 4.3Å; F207-I211 HydrophobicContact CZ-CG2 4.37Å; F207-I211 WeakPolarHBondContact O-CG1 3.41Å; F207-I211 PolarHBondContact O-N 2.8Å; F207-I211 VanDerWaalsContact O-N 3.11Å; F207-F242 HydrophobicContact CE2-CE1 4.4Å; F207-F242 AromaticContact CE2-CE2 3.82Å; F207-F242 HydrophobicContact CE2-CE2 3.82Å; F207-F242 AromaticContact CE2-CZ 3.68Å; F207-F242 HydrophobicContact CE2-CZ 3.68Å; F207-F242 AromaticContact CZ-CE2 3.88Å; F207-F242 HydrophobicContact CZ-CE2 3.88Å; F207-F242 AromaticContact CZ-CZ 3.55Å; F207-F242 HydrophobicContact CZ-CZ 3.55Å
208W86.5Confident75.5Confident41 Ų4172.6 Ų72.616%0.15533%0.334CS..Hα-helixtrans-59.8-46.6179.9173.2-126.9000112.3M158 I160 C204 E205 T210 I211 R212 I219 C221M158-W208 HydrophobicContact CE-CB 3.79Å; M158-W208 HydrophobicContact CE-CD2 4.25Å; M158-W208 HydrophobicContact CE-CG 3.69Å; M158-W208 HydrophobicContact SD-CB 4.12Å; I160-W208 HydrophobicContact CB-CZ3 4.45Å; I160-W208 HydrophobicContact CD1-CD2 4.42Å; I160-W208 HydrophobicContact CD1-CE3 3.58Å; I160-W208 HydrophobicContact CD1-CZ3 4.02Å; I160-W208 HydrophobicContact CG1-CE3 4.04Å; I160-W208 HydrophobicContact CG1-CZ3 4.07Å; I160-W208 HydrophobicContact CG2-CE3 4.26Å; I160-W208 HydrophobicContact CG2-CH2 4.21Å; I160-W208 HydrophobicContact CG2-CZ3 3.53Å; C204-W208 WeakPolarHBondContact O-CB 3.43Å; C204-W208 PolarHBondContact O-N 2.85Å; E205-W208 PolarHBondContact O-N 3.12Å; W208-T210 VanDerWaalsContact C-N 3.32Å; W208-T210 PolarHBondContact O-N 2.81Å; W208-I211 HydrophobicContact CE3-CD1 4.1Å; W208-I211 HydrophobicContact CE3-CG1 4.05Å; W208-I211 HydrophobicContact CZ3-CD1 4.4Å; W208-I211 WeakPolarHBondContact O-CG1 3.37Å; W208-I211 PolarHBondContact O-N 3.29Å; W208-R212 VanDerWaalsContact O-CB 3.27Å; W208-R212 WeakPolarHBondContact O-CB 2.89Å; W208-R212 PolarHBondContact O-N 2.95Å; W208-R212 VanDerWaalsContact O-N 3.12Å; W208-I219 HydrophobicContact CH2-CG1 4.18Å; W208-I219 HydrophobicContact CH2-CG2 4.23Å; W208-I219 HydrophobicContact CZ3-CD1 3.96Å; W208-I219 HydrophobicContact CZ3-CG1 3.91Å; W208-I219 HydrophobicContact CZ3-CG2 4.39Å; W208-C221 HydrophobicContact CH2-CB 4.45Å; W208-C221 HydrophobicContact CZ2-CB 4.09Å
209H82.6Confident74.8Confident106 Ų10673.4 Ų73.449%0.49134%0.338SS..Hα-helixtrans-58.6-44.5177.1-178.3-103.8000111.6E205 F207 I211 R212E205-H209 WeakPolarHBondContact O-CB 3.27Å; E205-H209 PolarHBondContact O-N 3.36Å; F207-H209 PolarHBondContact O-N 3.39Å; H209-I211 PolarHBondContact O-N 3.43Å; H209-R212 PolarHBondContact O-N 2.81Å
210T80.1Confident74.2Confident17 Ų1775.1 Ų75.110%0.10435%0.35CS..Hα-helixtrans-66.1-39.3-177.8-62.10000113.4K173 V177 E206 F207 W208K173-T210 VanDerWaalsContact CE-O 3.29Å; K173-T210 WeakPolarHBondContact CE-O 3.46Å; K173-T210 PolarHBondContact NZ-O 3.49Å; V177-T210 HydrophobicContact CB-CG2 4.47Å; V177-T210 HydrophobicContact CG1-CG2 4.01Å; V177-T210 HydrophobicContact CG2-CG2 3.55Å; E206-T210 VanDerWaalsContact O-CB 3.31Å; E206-T210 WeakPolarHBondContact O-CB 3.3Å; E206-T210 PolarHBondContact O-N 2.78Å; E206-T210 PolarHBondContact O-OG1 2.9Å; E206-T210 PolarHBondContact OE1-OG1 3.03Å; F207-T210 PolarHBondContact O-N 3.07Å; W208-T210 VanDerWaalsContact C-N 3.32Å; W208-T210 PolarHBondContact O-N 2.81Å
211I81.4Confident74.1Confident0 Ų075.3 Ų75.30%036%0.356CS..Hα-helixtrans-82.2-18.9-179.367165.9000112.8I160 I174 I195 F207 W208 H209 W216 I219I160-I211 HydrophobicContact CD1-CD1 4.16Å; I174-I211 HydrophobicContact CG1-CG2 4.2Å; I195-I211 HydrophobicContact CD1-CD1 3.76Å; F207-I211 HydrophobicContact CD1-CD1 4.15Å; F207-I211 HydrophobicContact CD1-CG1 4.49Å; F207-I211 HydrophobicContact CE1-CD1 3.57Å; F207-I211 HydrophobicContact CE1-CG1 4.32Å; F207-I211 HydrophobicContact CE1-CG2 4.37Å; F207-I211 HydrophobicContact CZ-CD1 4.3Å; F207-I211 HydrophobicContact CZ-CG2 4.37Å; F207-I211 WeakPolarHBondContact O-CG1 3.41Å; F207-I211 PolarHBondContact O-N 2.8Å; F207-I211 VanDerWaalsContact O-N 3.11Å; W208-I211 HydrophobicContact CE3-CD1 4.1Å; W208-I211 HydrophobicContact CE3-CG1 4.05Å; W208-I211 HydrophobicContact CZ3-CD1 4.4Å; W208-I211 WeakPolarHBondContact O-CG1 3.37Å; W208-I211 PolarHBondContact O-N 3.29Å; H209-I211 PolarHBondContact O-N 3.43Å; I211-W216 HydrophobicContact CB-CH2 4.13Å; I211-W216 HydrophobicContact CB-CZ3 4.48Å; I211-W216 VanDerWaalsContact O-CE2 3.29Å; I211-W216 WeakPolarHBondContact O-CZ2 3.47Å; I211-I219 HydrophobicContact CD1-CD1 4.05Å
212R73.6Confident74Confident120 Ų12076.3 Ų76.345%0.45336%0.361SS..Hα-helixtrans-76.7-26.3179-172.9177.6174.396.8-3.1113.9W208 H209W208-R212 VanDerWaalsContact O-CB 3.27Å; W208-R212 WeakPolarHBondContact O-CB 2.89Å; W208-R212 PolarHBondContact O-N 2.95Å; W208-R212 VanDerWaalsContact O-N 3.12Å; H209-R212 PolarHBondContact O-N 2.81Å
213Y57.6Low74.1Confident156 Ų15673.3 Ų73.361%0.61235%0.346SS*.THydrogen-bonded Turntrans-116.8137.9-178.4-86.1-92.5000113.3K173K173-Y213 PolarHBondContact NZ-O 3.45Å
214P45.7Very low74.2Confident90 Ų9072.5 Ų72.558%0.58435%0.352SS*.THydrogen-bonded Turncis-104.6150-9.435.3-22.8000113.3W216P214-W216 VanDerWaalsContact O-CD1 3.23Å
215N44.2Very low74.3Confident161 Ų16174.4 Ų74.486%0.86136%0.361SS*.THydrogen-bonded Turntrans72.240.2164.6-68.7-22000120.6
216W54Low74.4Confident44 Ų4474 Ų7417%0.16737%0.369CS..  trans-104.194.7174.5-56.528.3000108.8L170 K173 I174 I211 P214 H218 I219L170-W216 HydrophobicContact CB-CH2 4.36Å; L170-W216 HydrophobicContact CD1-CD2 3.45Å; L170-W216 VanDerWaalsContact CD1-CD2 3.45Å; L170-W216 HydrophobicContact CD1-CE3 3.7Å; L170-W216 HydrophobicContact CD1-CG 4.26Å; L170-W216 HydrophobicContact CD1-CH2 3.35Å; L170-W216 HydrophobicContact CD1-CZ2 3.01Å; L170-W216 HydrophobicContact CD1-CZ3 3.65Å; L170-W216 HydrophobicContact CD2-CD2 4.13Å; L170-W216 HydrophobicContact CD2-CE3 3.61Å; L170-W216 HydrophobicContact CD2-CH2 4.03Å; L170-W216 HydrophobicContact CD2-CZ2 4.47Å; L170-W216 HydrophobicContact CD2-CZ3 3.55Å; L170-W216 HydrophobicContact CG-CD2 4.03Å; L170-W216 HydrophobicContact CG-CE3 3.72Å; L170-W216 HydrophobicContact CG-CH2 3.22Å; L170-W216 HydrophobicContact CG-CZ2 3.52Å; L170-W216 HydrophobicContact CG-CZ3 3.3Å; K173-W216 HydrophobicContact CD-CZ2 4.23Å; I174-W216 HydrophobicContact CD1-CH2 3.96Å; I174-W216 HydrophobicContact CD1-CZ3 3.89Å; I174-W216 HydrophobicContact CG1-CH2 3.78Å; I174-W216 HydrophobicContact CG1-CZ3 4.15Å; I211-W216 HydrophobicContact CB-CH2 4.13Å; I211-W216 HydrophobicContact CB-CZ3 4.48Å; I211-W216 VanDerWaalsContact O-CE2 3.29Å; I211-W216 WeakPolarHBondContact O-CZ2 3.47Å; P214-W216 VanDerWaalsContact O-CD1 3.23Å; W216-H218 PolarHBondContact O-N 3.42Å; W216-I219 HydrophobicContact CB-CG2 4.29Å; W216-I219 HydrophobicContact CE3-CD1 4.23Å; W216-I219 HydrophobicContact CZ3-CD1 4.44Å
217K48Very low74.4Confident181 Ų18173.6 Ų73.679%0.78737%0.368SS*.THydrogen-bonded Turntrans-64.3126.2174.8-68.2-174177.6-177.90108.8
218H67.1Low74.1Confident133 Ų13379.9 Ų79.962%0.61640%0.397SS*.THydrogen-bonded Turntrans76.943.3173.4-49.4-82.4000118.4S162 H163 W216S162-H218 WeakPolarHBondContact CA-O 3.27Å; H163-H218 HydrophobicContact CB-CB 3.92Å; H163-H218 PolarHBondContact N-O 2.87Å; W216-H218 PolarHBondContact O-N 3.42Å
219I76.9Confident73.7Confident17 Ų1779.2 Ų79.29%0.08740%0.398CS..EExtended strand (participates in β ladder)trans-106.9133.6163.2-164172.3000111.5I160 Y161 I195 W208 I211 W216I160-I219 HydrophobicContact CG2-CD1 3.61Å; I160-I219 HydrophobicContact CG2-CG1 3.41Å; I160-I219 VanDerWaalsContact CG2-CG1 3.41Å; Y161-I219 CarbonylContact O-C 3.47Å; Y161-I219 WeakPolarHBondContact O-CA 3.13Å; I195-I219 HydrophobicContact CD1-CD1 4.19Å; W208-I219 HydrophobicContact CH2-CG1 4.18Å; W208-I219 HydrophobicContact CH2-CG2 4.23Å; W208-I219 HydrophobicContact CZ3-CD1 3.96Å; W208-I219 HydrophobicContact CZ3-CG1 3.91Å; W208-I219 HydrophobicContact CZ3-CG2 4.39Å; I211-I219 HydrophobicContact CD1-CD1 4.05Å; W216-I219 HydrophobicContact CB-CG2 4.29Å; W216-I219 HydrophobicContact CE3-CD1 4.23Å; W216-I219 HydrophobicContact CZ3-CD1 4.44Å
220S79.5Confident73.1Confident37 Ų3780 Ų8026%0.25940%0.402SS..EExtended strand (participates in β ladder)trans-145.2132.5-178.761.20000111.5Y161 K222Y161-S220 PolarHBondContact N-O 3.13Å; Y161-S220 PolarHBondContact O-N 3.11Å; S220-K222 PolarHBondContact O-N 2.93Å; S220-K222 VanDerWaalsContact OG-CE 3.27Å; S220-K222 WeakPolarHBondContact OG-CE 3.46Å
221C84.6Confident72.5Confident47 Ų4781 Ų8132%0.31842%0.415SS..EExtended strand (participates in β ladder)trans-68117.6163.9-172.10000108.8M158 I160 W208 H223M158-C221 HydrophobicContact CE-CB 4.13Å; M158-C221 VanDerWaalsContact CE-SG 3.56Å; I160-C221 HydrophobicContact CG1-CB 4.32Å; W208-C221 HydrophobicContact CH2-CB 4.45Å; W208-C221 HydrophobicContact CZ2-CB 4.09Å; C221-H223 PolarHBondContact SG-O 2.94Å
222K81.6Confident71.9Confident104 Ų10486.1 Ų86.145%0.45244%0.442SS..EExtended strand (participates in β ladder)trans-96.4-29.9-177.2-70.2-63.3-168.5179.10112.7W159 Y161 S220 L282W159-K222 PolarHBondContact O-N 2.75Å; Y161-K222 VanDerWaalsContact CB-CG 3.5Å; Y161-K222 HydrophobicContact CG-CG 4.43Å; S220-K222 PolarHBondContact O-N 2.93Å; S220-K222 VanDerWaalsContact OG-CE 3.27Å; S220-K222 WeakPolarHBondContact OG-CE 3.46Å; K222-L282 HydrophobicContact CB-CD2 3.88Å; K222-L282 HydrophobicContact CG-CD2 4.08Å
223H85.1Confident72Confident52 Ų5280.5 Ų80.524%0.24142%0.422CS..EExtended strand (participates in β ladder)trans-150.1146.9-178.9-167.154.5000110.3W159 C221 E225 I281W159-H223 HydrophobicContact CB-CB 4.06Å; W159-H223 AromaticContact CD1-CD2 3.71Å; W159-H223 HydrophobicContact CG-CB 4.34Å; W159-H223 PolarHBondContact N-O 3.05Å; W159-H223 PolarHBondContact O-N 2.71Å; C221-H223 PolarHBondContact SG-O 2.94Å; H223-E225 VanDerWaalsContact NE2-CG 3.34Å; H223-E225 WeakPolarHBondContact NE2-CG 3.17Å; H223-E225 IonicContact NE2-OE1 3.92Å; H223-I281 HydrophobicContact CB-CG2 3.86Å
224A86.7Confident72.9Confident54 Ų5476.8 Ų76.845%0.44641%0.41SS..EExtended strand (participates in β ladder)trans-142.1130.8175.400000109.2L156 R157L156-A224 HydrophobicContact CD1-CB 4.2Å; R157-A224 CarbonylContact O-C 3.55Å; R157-A224 VanDerWaalsContact O-CA 3.25Å; R157-A224 WeakPolarHBondContact O-CA 3.48Å
225E87Confident74.6Confident39 Ų3980.3 Ų80.318%0.18242%0.424CS..EExtended strand (participates in β ladder)trans-115121.4179.2-59.1172.1119.300108.2L156 R157 W159 H223 H277L156-E225 CarbonylContact C-O 3.56Å; L156-E225 WeakPolarHBondContact CA-O 3.39Å; R157-E225 HydrophobicContact CB-CB 4.36Å; R157-E225 WeakPolarHBondContact CD-OE2 3.28Å; R157-E225 IonicContact CZ-OE2 3.21Å; R157-E225 PolarHBondContact N-O 2.94Å; R157-E225 IonicContact NE-OE2 2.78Å; R157-E225 IonicContact NH1-OE2 2.86Å; R157-E225 PolarHBondContact NH1-OE2 2.89Å; R157-E225 PolarHBondContact O-N 2.79Å; W159-E225 PolarHBondContact NE1-OE2 2.97Å; W159-E225 VanDerWaalsContact NE1-OE2 3.14Å; H223-E225 VanDerWaalsContact NE2-CG 3.34Å; H223-E225 WeakPolarHBondContact NE2-CG 3.17Å; H223-E225 IonicContact NE2-OE1 3.92Å; E225-H277 IonicContact OE1-CD2 3.96Å; E225-H277 IonicContact OE1-CE1 3.47Å; E225-H277 PolarHBondContact OE1-CE1 3.03Å; E225-H277 IonicContact OE1-NE2 2.79Å; E225-H277 PolarHBondContact OE1-NE2 2.81Å
226S86.1Confident76.6Confident88 Ų8874.8 Ų74.862%0.61539%0.394SS*.EExtended strand (participates in β ladder)trans-114.7133.4179.460.60000111.4F155F155-S226 CarbonylContact O-C 3.53Å; F155-S226 VanDerWaalsContact O-CA 3.3Å; F155-S226 WeakPolarHBondContact O-CA 3.5Å
227M84.3Confident78.3Confident59 Ų5973.5 Ų73.529%0.29139%0.389SS..EExtended strand (participates in β ladder)trans-133.2133.5-179.4-61.7172.1-72.300109.6F155 L236F155-M227 HydrophobicContact CB-CB 4.49Å; F155-M227 HydrophobicContact CD1-CE 3.45Å; F155-M227 VanDerWaalsContact CD1-CE 3.45Å; F155-M227 HydrophobicContact CE1-CE 3.95Å; F155-M227 HydrophobicContact CG-CE 4.33Å; F155-M227 PolarHBondContact N-O 2.83Å; F155-M227 PolarHBondContact O-N 3.4Å; M227-L236 HydrophobicContact CB-CD1 4.17Å; M227-L236 HydrophobicContact CE-CB 4Å; M227-L236 HydrophobicContact CE-CD1 4.28Å; M227-L236 HydrophobicContact CE-CD2 4.28Å; M227-L236 HydrophobicContact CE-CG 4.43Å; M227-L236 HydrophobicContact SD-CD2 4Å
228E82.8Confident80.2Confident132 Ų13266.8 Ų66.862%0.61736%0.362SS*.EExtended strand (participates in β ladder)trans-77.5135.8170.5-64.2-168.6160.100109.7K152 N153K152-E228 IonicContact NZ-OE2 3.4Å; K152-E228 PolarHBondContact NZ-OE2 3.32Å; N153-E228 CarbonylContact O-C 3.51Å; N153-E228 WeakPolarHBondContact O-CA 3.36Å
229T78Confident81.3Confident27 Ų2760.9 Ų60.917%0.16633%0.334CS..EExtended strand (participates in β ladder)trans-140.7143.4175.4-174.30000111.2K152 N153 F155 F200 G231 L236K152-T229 CarbonylContact C-O 3.56Å; N153-T229 HydrophobicContact CB-CG2 4.24Å; N153-T229 PolarHBondContact N-O 3.2Å; N153-T229 PolarHBondContact O-N 2.78Å; F155-T229 HydrophobicContact CB-CG2 4.32Å; F200-T229 HydrophobicContact CE1-CG2 4.13Å; T229-G231 PolarHBondContact OG1-N 2.91Å; T229-L236 HydrophobicContact CG2-CD1 4Å
230E70.1Confident81.7Confident123 Ų12367.2 Ų67.258%0.57536%0.363SS*.SBendtrans-95.8-5.3176.8-60.2-169.9165.600111.9P150 K152P150-E230 HydrophobicContact CB-CB 3.53Å; P150-E230 HydrophobicContact CB-CG 3.52Å; P150-E230 VanDerWaalsContact CB-OE2 3.25Å; P150-E230 WeakPolarHBondContact CB-OE2 3.48Å; P150-E230 HydrophobicContact CG-CG 4.17Å; P150-E230 WeakPolarHBondContact CG-OE1 3.2Å; P150-E230 VanDerWaalsContact CG-OE2 3.28Å; P150-E230 WeakPolarHBondContact CG-OE2 3.47Å; K152-E230 HydrophobicContact CG-CG 4.42Å
231G67.3Low82.1Confident37 Ų3767.7 Ų67.738%0.38137%0.366SS..SBendtrans-109.9-168.2-177.200000113.9T229 G233T229-G231 PolarHBondContact OG1-N 2.91Å; G231-G233 PolarHBondContact O-N 2.78Å
232N69.2Low82.4Confident108 Ų10866 Ų6658%0.57835%0.354SS*.  trans-72-0.6178.464.8-1.2000114.1F200 E234F200-N232 WeakPolarHBondContact CZ-O 3.36Å; N232-E234 HydrophobicContact CB-CG 4.47Å; N232-E234 WeakPolarHBondContact ND2-CG 3.39Å; N232-E234 PolarHBondContact O-N 3.22Å; N232-E234 PolarHBondContact OD1-N 2.73Å
233G75.5Confident82.8Confident2 Ų266.6 Ų66.62%0.02136%0.358CS..SBendtrans75.13.6176.800000115.2F155 G231 D235 L236F155-G233 WeakPolarHBondContact CE2-O 3.36Å; G231-G233 PolarHBondContact O-N 2.78Å; G233-D235 VanDerWaalsContact C-N 3.34Å; G233-D235 PolarHBondContact O-N 2.84Å; G233-L236 WeakPolarHBondContact O-CB 3.37Å; G233-L236 PolarHBondContact O-N 3.38Å
234E76.8Confident83Confident78 Ų7867.3 Ų67.336%0.36436%0.361SS..G310 helixtrans-62.2-39.9-176.8-70.5-60.6122.300112.4N232 L236 R237N232-E234 HydrophobicContact CB-CG 4.47Å; N232-E234 WeakPolarHBondContact ND2-CG 3.39Å; N232-E234 PolarHBondContact O-N 3.22Å; N232-E234 PolarHBondContact OD1-N 2.73Å; E234-L236 PolarHBondContact O-N 2.83Å; E234-L236 VanDerWaalsContact O-N 3.13Å; E234-R237 WeakPolarHBondContact O-CB 3.45Å; E234-R237 PolarHBondContact O-N 3.49Å; E234-R237 VanDerWaalsContact O-N 3.13Å; E234-R237 IonicContact OE1-CZ 3.41Å; E234-R237 IonicContact OE1-NE 2.81Å; E234-R237 PolarHBondContact OE1-NE 2.85Å; E234-R237 IonicContact OE1-NH2 2.66Å; E234-R237 PolarHBondContact OE1-NH2 2.79Å; E234-R237 IonicContact OE2-NE 3.91Å
235D83Confident83Confident163 Ų16365.9 Ų65.987%0.87235%0.346SS*.G310 helixtrans-66-15.7177.6-61.7-36000113.5G233G233-D235 VanDerWaalsContact C-N 3.34Å; G233-D235 PolarHBondContact O-N 2.84Å
236L86.1Confident82.6Confident45 Ų4570.1 Ų70.124%0.23637%0.369CS..G310 helixtrans-92.4-12.5179.2-59.3179.2000112.8F155 R157 M227 T229 G233 E234F155-L236 HydrophobicContact CB-CD1 3.56Å; F155-L236 HydrophobicContact CD1-CB 3.97Å; F155-L236 HydrophobicContact CD1-CD1 4.32Å; F155-L236 HydrophobicContact CD2-CB 4.02Å; F155-L236 HydrophobicContact CD2-CD1 4.17Å; F155-L236 HydrophobicContact CE1-CB 4Å; F155-L236 HydrophobicContact CE2-CB 4.07Å; F155-L236 HydrophobicContact CG-CB 3.96Å; F155-L236 HydrophobicContact CG-CD1 3.78Å; F155-L236 HydrophobicContact CZ-CB 4.05Å; R157-L236 PolarHBondContact NH2-O 2.94Å; M227-L236 HydrophobicContact CB-CD1 4.17Å; M227-L236 HydrophobicContact CE-CB 4Å; M227-L236 HydrophobicContact CE-CD1 4.28Å; M227-L236 HydrophobicContact CE-CD2 4.28Å; M227-L236 HydrophobicContact CE-CG 4.43Å; M227-L236 HydrophobicContact SD-CD2 4Å; T229-L236 HydrophobicContact CG2-CD1 4Å; G233-L236 WeakPolarHBondContact O-CB 3.37Å; G233-L236 PolarHBondContact O-N 3.38Å; E234-L236 PolarHBondContact O-N 2.83Å; E234-L236 VanDerWaalsContact O-N 3.13Å
237R88.4Confident82.1Confident18 Ų1867.1 Ų67.17%0.06835%0.346CS..  trans-73.3127.8178.8-65.2-175.8-174.4-84.58.9110.2F155 D182 T184 E198 E234F155-R237 HydrophobicContact CE2-CG 3.95Å; F155-R237 HydrophobicContact CZ-CG 3.88Å; D182-R237 PolarHBondContact O-NH2 3.04Å; T184-R237 VanDerWaalsContact CG2-NH1 3.35Å; T184-R237 PolarHBondContact OG1-NH1 3.15Å; E198-R237 PolarHBondContact O-NH1 2.84Å; E198-R237 WeakPolarHBondContact OE1-CA 3.39Å; E234-R237 WeakPolarHBondContact O-CB 3.45Å; E234-R237 PolarHBondContact O-N 3.49Å; E234-R237 VanDerWaalsContact O-N 3.13Å; E234-R237 IonicContact OE1-CZ 3.41Å; E234-R237 IonicContact OE1-NE 2.81Å; E234-R237 PolarHBondContact OE1-NE 2.85Å; E234-R237 IonicContact OE1-NH2 2.66Å; E234-R237 PolarHBondContact OE1-NH2 2.79Å; E234-R237 IonicContact OE2-NE 3.91Å
238L89.1Confident80.9Confident40 Ų4071.6 Ų71.621%0.20937%0.367CS..SBendtrans-86.7-23.8167.8-60.6179.4000111.4E198 H273E198-L238 PolarHBondContact OE1-N 2.89Å; E198-L238 PolarHBondContact OE2-N 3.3Å; L238-H273 HydrophobicContact CB-CB 4.46Å; L238-H273 WeakPolarHBondContact CD1-O 3.38Å; L238-H273 WeakPolarHBondContact CD2-O 3.37Å; L238-H273 PolarHBondContact O-ND1 3.32Å
239F90.3Very high79.6Confident8 Ų867.9 Ų67.94%0.03536%0.358CS..  trans-123.3129.8-177.2-49-74.4000108.4W159 T184 F186 C196 E198 F269 H273W159-F239 HydrophobicContact CH2-CE2 4.13Å; W159-F239 HydrophobicContact CH2-CZ 4.15Å; T184-F239 WeakPolarHBondContact CB-O 3.21Å; T184-F239 PolarHBondContact OG1-O 3.28Å; F186-F239 HydrophobicContact CD1-CD1 4.09Å; F186-F239 HydrophobicContact CD1-CD2 4.47Å; F186-F239 AromaticContact CD1-CE1 3.75Å; F186-F239 HydrophobicContact CD1-CE1 3.75Å; F186-F239 HydrophobicContact CD1-CE2 4.16Å; F186-F239 HydrophobicContact CD1-CG 4.45Å; F186-F239 AromaticContact CD1-CZ 3.8Å; F186-F239 HydrophobicContact CD1-CZ 3.8Å; F186-F239 AromaticContact CE1-CE1 3.85Å; F186-F239 HydrophobicContact CE1-CE1 3.85Å; F186-F239 HydrophobicContact CE1-CE2 4Å; F186-F239 AromaticContact CE1-CZ 3.51Å; F186-F239 HydrophobicContact CE1-CZ 3.51Å; C196-F239 HydrophobicContact CB-CE2 4.32Å; C196-F239 VanDerWaalsContact SG-CE2 3.5Å; E198-F239 WeakPolarHBondContact OE1-CA 3.33Å; E198-F239 WeakPolarHBondContact OE1-CB 3.25Å; E198-F239 WeakPolarHBondContact OE1-CD2 3.47Å; E198-F239 PolarHBondContact OE1-N 3.22Å; F239-F269 HydrophobicContact CD1-CZ 4.06Å; F239-F269 AromaticContact CE1-CE1 3.6Å; F239-F269 HydrophobicContact CE1-CE1 3.6Å; F239-F269 AromaticContact CE1-CZ 3.54Å; F239-F269 HydrophobicContact CE1-CZ 3.54Å; F239-F269 HydrophobicContact CZ-CE1 4.23Å; F239-H273 AromaticContact CD1-CE1 3.73Å; F239-H273 AromaticContact CD1-CG 3.99Å; F239-H273 AromaticContact CD1-ND1 3.53Å; F239-H273 HydrophobicContact CE1-CB 3.8Å; F239-H273 AromaticContact CE1-CD2 3.85Å; F239-H273 AromaticContact CE1-CE1 3.92Å; F239-H273 AromaticContact CE1-CG 3.43Å; F239-H273 VanDerWaalsContact CE1-CG 3.43Å; F239-H273 AromaticContact CE1-ND1 3.48Å; F239-H273 WeakPolarHBondContact CE1-ND1 3.41Å; F239-H273 HydrophobicContact CZ-CB 4.04Å
240H84.3Confident78.1Confident150 Ų15074 Ų7469%0.69439%0.385SS*.SBendtrans-97.8-4.6-172.9-64.272.2000112.9
241S87.8Confident76.8Confident47 Ų4770.4 Ų70.433%0.32938%0.38SS..SBendtrans-143.6166.6177.255.30000109.2G185 E243G185-S241 PolarHBondContact N-O 3.29Å; S241-E243 WeakPolarHBondContact CB-OE1 3.37Å; S241-E243 WeakPolarHBondContact OG-CG 3.4Å; S241-E243 PolarHBondContact OG-OE1 3.32Å
242F90.9Very high75.5Confident12 Ų1277 Ų775%0.05341%0.407CS..EExtended strand (participates in β ladder)trans-105.6104.6170.5-161.6-78.2000109.4I174 L175 V183 G185 C187 I195 V197 F207I174-F242 HydrophobicContact CG2-CE1 3.89Å; I174-F242 HydrophobicContact CG2-CZ 3.94Å; L175-F242 HydrophobicContact CD2-CD1 3.94Å; L175-F242 HydrophobicContact CD2-CE1 4.03Å; V183-F242 HydrophobicContact CG2-CD2 4.16Å; V183-F242 HydrophobicContact CG2-CE2 4.5Å; V183-F242 WeakPolarHBondContact O-CB 3.38Å; G185-F242 WeakPolarHBondContact O-CA 3.47Å; C187-F242 HydrophobicContact CB-CE1 4.46Å; I195-F242 HydrophobicContact CG2-CZ 4.27Å; V197-F242 HydrophobicContact CB-CE2 4.33Å; V197-F242 HydrophobicContact CG2-CE2 4.36Å; F207-F242 HydrophobicContact CE2-CE1 4.4Å; F207-F242 AromaticContact CE2-CE2 3.82Å; F207-F242 HydrophobicContact CE2-CE2 3.82Å; F207-F242 AromaticContact CE2-CZ 3.68Å; F207-F242 HydrophobicContact CE2-CZ 3.68Å; F207-F242 AromaticContact CZ-CE2 3.88Å; F207-F242 HydrophobicContact CZ-CE2 3.88Å; F207-F242 AromaticContact CZ-CZ 3.55Å; F207-F242 HydrophobicContact CZ-CZ 3.55Å
243E89.3Confident74.1Confident117 Ų11782.1 Ų82.155%0.54742%0.42SS..EExtended strand (participates in β ladder)trans-129.1159.6-169.4-72.1178.2-163.800113.6G185 F186 C187 S241G185-E243 PolarHBondContact O-N 3.13Å; F186-E243 CarbonylContact C-O 3.6Å; F186-E243 WeakPolarHBondContact CA-O 3.47Å; C187-E243 PolarHBondContact N-O 3.19Å; S241-E243 WeakPolarHBondContact CB-OE1 3.37Å; S241-E243 WeakPolarHBondContact OG-CG 3.4Å; S241-E243 PolarHBondContact OG-OE1 3.32Å
244E89.5Confident72.4Confident67 Ų6784.9 Ų84.931%0.31345%0.448SS..EExtended strand (participates in β ladder)trans-77.9121.6169-173.3170.1-167.700109R171 L175 C187 T189 L246R171-E244 IonicContact NH1-OE1 3.22Å; L175-E244 HydrophobicContact CD1-CB 4.34Å; L175-E244 HydrophobicContact CD2-CB 4.35Å; C187-E244 WeakPolarHBondContact O-CA 3.48Å; T189-E244 HydrophobicContact CG2-CG 4.09Å; T189-E244 WeakPolarHBondContact CG2-OE1 3.22Å; T189-E244 PolarHBondContact OG1-OE1 3.37Å; E244-L246 HydrophobicContact CG-CD2 3.93Å; E244-L246 HydrophobicContact CG-CG 4.31Å; E244-L246 PolarHBondContact O-N 2.83Å
245L86.8Confident70.6Confident23 Ų2390.2 Ų90.212%0.1248%0.478CS..EExtended strand (participates in β ladder)trans-88105.7176.2-177.864.2000109.1F186 C187 M188 L247 F266 F269F186-L245 HydrophobicContact CB-CB 4.16Å; F186-L245 HydrophobicContact CD2-CB 3.97Å; F186-L245 HydrophobicContact CD2-CD2 3.86Å; F186-L245 HydrophobicContact CE2-CD2 4.01Å; F186-L245 HydrophobicContact CG-CB 4.31Å; F186-L245 HydrophobicContact CG-CD2 4.36Å; C187-L245 PolarHBondContact O-N 3.14Å; M188-L245 HydrophobicContact CB-CB 4.26Å; M188-L245 HydrophobicContact CB-CD2 4.36Å; M188-L245 HydrophobicContact CG-CD2 4.44Å; L245-L247 HydrophobicContact CD1-CD2 4.04Å; L245-L247 HydrophobicContact CD2-CD2 4.36Å; L245-L247 HydrophobicContact CD2-CG 4.45Å; L245-L247 HydrophobicContact CG-CD2 4.08Å; L245-L247 HydrophobicContact CG-CG 4.19Å; L245-F266 HydrophobicContact CD2-CD2 4.07Å; L245-F266 HydrophobicContact CD2-CE2 4.24Å; L245-F269 HydrophobicContact CD1-CD2 3.79Å; L245-F269 HydrophobicContact CD1-CE1 4.49Å; L245-F269 HydrophobicContact CD1-CE2 3.65Å; L245-F269 HydrophobicContact CD1-CG 4.28Å; L245-F269 HydrophobicContact CD1-CZ 4.02Å; L245-F269 HydrophobicContact CD2-CD1 3.72Å; L245-F269 HydrophobicContact CD2-CD2 4.36Å; L245-F269 HydrophobicContact CD2-CE1 3.73Å; L245-F269 HydrophobicContact CD2-CE2 4.36Å; L245-F269 HydrophobicContact CD2-CG 4.05Å; L245-F269 HydrophobicContact CD2-CZ 4.05Å
246L79.3Confident68.6Low129 Ų12992.6 Ų92.668%0.67548%0.475SS*.  trans-96.1115.6174.1-59.4175.4000109E244E244-L246 HydrophobicContact CG-CD2 3.93Å; E244-L246 HydrophobicContact CG-CG 4.31Å; E244-L246 PolarHBondContact O-N 2.83Å
247L74.3Confident66.5Low25 Ų2598.7 Ų98.713%0.13151%0.508CS..  trans-108.6140.5170.2-52.2173.6000108.4M188 L245 A249 M261 Q265 F266M188-L247 HydrophobicContact SD-CD1 3.61Å; M188-L247 HydrophobicContact SD-CG 4.45Å; L245-L247 HydrophobicContact CD1-CD2 4.04Å; L245-L247 HydrophobicContact CD2-CD2 4.36Å; L245-L247 HydrophobicContact CD2-CG 4.45Å; L245-L247 HydrophobicContact CG-CD2 4.08Å; L245-L247 HydrophobicContact CG-CG 4.19Å; L247-A249 PolarHBondContact O-N 3.36Å; L247-M261 HydrophobicContact CB-CE 3.64Å; L247-M261 HydrophobicContact CD1-CE 4.33Å; L247-M261 HydrophobicContact CG-CE 4.09Å; L247-Q265 HydrophobicContact CB-CB 4.44Å; L247-Q265 HydrophobicContact CD1-CB 4.4Å; L247-Q265 HydrophobicContact CD2-CB 4.19Å; L247-F266 HydrophobicContact CD1-CB 3.55Å; L247-F266 HydrophobicContact CD1-CD2 4.19Å; L247-F266 HydrophobicContact CD1-CG 4.32Å
248E59.5Low64.3Low153 Ų153102.3 Ų102.372%0.71553%0.528SS*.PPolyproline II helixtrans-68.8122.1-179.3-66.3-177.3161.800109.3N262 Q265E248-N262 VanDerWaalsContact O-CB 3.29Å; E248-N262 WeakPolarHBondContact O-CB 3.38Å; E248-Q265 VanDerWaalsContact N-OE1 3.08Å
249A55.9Low62.4Low54 Ų54108 Ų10845%0.44655%0.548SS..PPolyproline II helixtrans-65138.2178.700000110.3L247L247-A249 PolarHBondContact O-N 3.36Å
250H45.8Very low60.7Low155 Ų155112.3 Ų112.372%0.71857%0.568SS**PPolyproline II helixtrans-88.4124176.3-157.6-52.1000110.3
251G43.5Very low59.7Low47 Ų47106 Ų10649%0.48554%0.539SS..  trans96.6121.9146.700000118.2Y253G251-Y253 PolarHBondContact O-N 2.82Å
252D40.2Very low58.9Low176 Ų176105.3 Ų105.394%0.94153%0.532SS*.  trans-66.152170.5-143.41.2000113.1G254D252-G254 PolarHBondContact O-N 3.32Å
253Y40.7Very low58.1Low216 Ų216107.8 Ų107.885%0.84755%0.546SS*.  trans-9484.3178.2-82.2-85.8000111.6G251G251-Y253 PolarHBondContact O-N 2.82Å
254G38.8Very low57.5Low60 Ų60104.2 Ų104.262%0.61954%0.54SS*.  trans53.6103.3140.800000118.9D252 R256D252-G254 PolarHBondContact O-N 3.32Å; G254-R256 VanDerWaalsContact C-N 3.27Å; G254-R256 PolarHBondContact O-N 2.86Å
255L38.8Very low57.1Low189 Ų189103.7 Ų103.799%0.9954%0.537SS*.SBendtrans58.49.1144.2-71.5164000119.8
256R40.8Very low57Low214 Ų214102.6 Ų102.681%0.80853%0.532SS*.SBendtrans-141.1130.5163.9-70.7-172.6173.6-179.8-1.8110.4G254 D258G254-R256 VanDerWaalsContact C-N 3.27Å; G254-R256 PolarHBondContact O-N 2.86Å; R256-D258 PolarHBondContact O-N 3.47Å
257N41.9Very low57.1Low172 Ų17298.8 Ų98.892%0.9251%0.512SS*.  trans-6357.8177.9-77.4-21.7000113.3Y259N257-Y259 PolarHBondContact O-N 2.79Å
258D42.6Very low57.7Low94 Ų94103.9 Ų103.950%0.50354%0.535SS..  trans-93.989.2175.7-100-41000109.5K191 R256 H260K191-D258 IonicContact NZ-OD1 3.4Å; K191-D258 PolarHBondContact NZ-OD1 2.73Å; R256-D258 PolarHBondContact O-N 3.47Å; D258-H260 PolarHBondContact O-N 3.42Å
259Y49.8Very low59.1Low161 Ų16198.5 Ų98.563%0.63151%0.509SS*.  trans-66.884.9175.9-120.9-93000110.5N257N257-Y259 PolarHBondContact O-N 2.79Å
260H54.6Low60.6Low97 Ų9796 Ų9645%0.44949%0.488SS..BIsolated β-bridgetrans-90.8123.3174.7-82.7-80.4000111.1D258D258-H260 PolarHBondContact O-N 3.42Å
261M63.1Low62.5Low17 Ų1794.3 Ų94.38%0.08448%0.479CS..  trans-71.5144177.4-67.4-56.7-73.600111.4M188 T189 K191 L247 L263M188-M261 HydrophobicContact CE-CB 4.22Å; M188-M261 HydrophobicContact CE-CG 4.29Å; M188-M261 HydrophobicContact CG-CE 3.79Å; M188-M261 HydrophobicContact SD-CE 4.18Å; T189-M261 WeakPolarHBondContact O-CG 3.37Å; K191-M261 PolarHBondContact O-N 3.29Å; L247-M261 HydrophobicContact CB-CE 3.64Å; L247-M261 HydrophobicContact CD1-CE 4.33Å; L247-M261 HydrophobicContact CG-CE 4.09Å; M261-L263 PolarHBondContact O-N 3.02Å
262N71.6Confident64.7Low34 Ų34100.3 Ų100.318%0.18249%0.492CS..  trans-74.295177.3-171-29.6000110.7E248 G264 Q265 F266E248-N262 VanDerWaalsContact O-CB 3.29Å; E248-N262 WeakPolarHBondContact O-CB 3.38Å; N262-G264 PolarHBondContact O-N 2.92Å; N262-G264 WeakPolarHBondContact OD1-CA 3.39Å; N262-G264 PolarHBondContact OD1-N 3.24Å; N262-Q265 HydrophobicContact CB-CB 4.16Å; N262-Q265 HydrophobicContact CB-CG 4.18Å; N262-Q265 PolarHBondContact O-N 3.4Å; N262-Q265 PolarHBondContact OD1-N 3.37Å; N262-Q265 VanDerWaalsContact OD1-N 3.07Å; N262-F266 PolarHBondContact O-N 3.22Å
263L73.2Confident67.1Low64 Ų6494 Ų9434%0.33546%0.456SS..Hα-helixtrans-62.1-24.7178.8-62.2-177.7000113.1M261 F266 L267 F279 F283M261-L263 PolarHBondContact O-N 3.02Å; L263-F266 PolarHBondContact O-N 2.9Å; L263-L267 WeakPolarHBondContact O-CB 3.29Å; L263-L267 PolarHBondContact O-N 3.19Å; L263-F279 HydrophobicContact CB-CE2 4.21Å; L263-F279 HydrophobicContact CB-CZ 4.15Å; L263-F279 WeakPolarHBondContact O-CE2 3.27Å; L263-F283 HydrophobicContact CD2-CE1 4.18Å; L263-F283 HydrophobicContact CD2-CE2 4.13Å; L263-F283 HydrophobicContact CD2-CZ 3.59Å
264G76.3Confident69.3Low41 Ų4191.8 Ų91.842%0.42345%0.451SS..Hα-helixtrans-66.6-49.4173.800000111.7N262 F266 L267 E268N262-G264 PolarHBondContact O-N 2.92Å; N262-G264 WeakPolarHBondContact OD1-CA 3.39Å; N262-G264 PolarHBondContact OD1-N 3.24Å; G264-F266 VanDerWaalsContact C-N 3.27Å; G264-F266 PolarHBondContact O-N 3Å; G264-L267 PolarHBondContact O-N 2.94Å; G264-E268 PolarHBondContact O-N 2.93Å
265Q81.5Confident71.7Confident57 Ų5789 Ų8927%0.26642%0.422SS..Hα-helixtrans-62.8-35173.4-71.2-177.2-4.600111.9L247 E248 N262 E268 F269L247-Q265 HydrophobicContact CB-CB 4.44Å; L247-Q265 HydrophobicContact CD1-CB 4.4Å; L247-Q265 HydrophobicContact CD2-CB 4.19Å; E248-Q265 VanDerWaalsContact N-OE1 3.08Å; N262-Q265 HydrophobicContact CB-CB 4.16Å; N262-Q265 HydrophobicContact CB-CG 4.18Å; N262-Q265 PolarHBondContact O-N 3.4Å; N262-Q265 PolarHBondContact OD1-N 3.37Å; N262-Q265 VanDerWaalsContact OD1-N 3.07Å; Q265-E268 PolarHBondContact O-N 3.32Å; Q265-F269 WeakPolarHBondContact O-CB 3.41Å; Q265-F269 PolarHBondContact O-N 3.37Å
266F84.1Confident73.9Confident0 Ų084.2 Ų84.20%039%0.394CS..Hα-helixtrans-64.2-42.3174.5-177-120.6000111.9F186 M188 I194 L245 L247 N262 L263 G264 F269 L270 F279 L282 F283F186-F266 AromaticContact CE2-CE2 3.81Å; F186-F266 HydrophobicContact CE2-CE2 3.81Å; F186-F266 HydrophobicContact CE2-CZ 4.4Å; F186-F266 AromaticContact CZ-CE2 3.74Å; F186-F266 HydrophobicContact CZ-CE2 3.74Å; F186-F266 HydrophobicContact CZ-CZ 4.15Å; M188-F266 HydrophobicContact SD-CB 4.36Å; M188-F266 HydrophobicContact SD-CD2 3.65Å; M188-F266 HydrophobicContact SD-CE2 4.16Å; M188-F266 HydrophobicContact SD-CG 4.02Å; I194-F266 HydrophobicContact CB-CZ 4.48Å; I194-F266 HydrophobicContact CD1-CD1 3.96Å; I194-F266 HydrophobicContact CD1-CE1 3.36Å; I194-F266 HydrophobicContact CD1-CE2 4.25Å; I194-F266 HydrophobicContact CD1-CZ 3.55Å; I194-F266 HydrophobicContact CG2-CZ 3.97Å; L245-F266 HydrophobicContact CD2-CD2 4.07Å; L245-F266 HydrophobicContact CD2-CE2 4.24Å; L247-F266 HydrophobicContact CD1-CB 3.55Å; L247-F266 HydrophobicContact CD1-CD2 4.19Å; L247-F266 HydrophobicContact CD1-CG 4.32Å; N262-F266 PolarHBondContact O-N 3.22Å; L263-F266 PolarHBondContact O-N 2.9Å; G264-F266 VanDerWaalsContact C-N 3.27Å; G264-F266 PolarHBondContact O-N 3Å; F266-F269 HydrophobicContact CD2-CD1 4.49Å; F266-F269 HydrophobicContact CE2-CD1 4.46Å; F266-F269 WeakPolarHBondContact O-CB 3.43Å; F266-F269 PolarHBondContact O-N 3.46Å; F266-L270 HydrophobicContact CD1-CD1 4.06Å; F266-L270 HydrophobicContact CE1-CD1 3.55Å; F266-L270 HydrophobicContact CE1-CG 4.17Å; F266-L270 HydrophobicContact CE2-CD1 4.41Å; F266-L270 HydrophobicContact CE2-CD2 4.13Å; F266-L270 HydrophobicContact CE2-CG 4.14Å; F266-L270 HydrophobicContact CZ-CD1 3.74Å; F266-L270 HydrophobicContact CZ-CD2 3.91Å; F266-L270 HydrophobicContact CZ-CG 3.93Å; F266-L270 WeakPolarHBondContact O-CG 3.34Å; F266-L270 PolarHBondContact O-N 3.33Å; F266-F279 AromaticContact CD1-CD2 3.86Å; F266-F279 HydrophobicContact CD1-CD2 3.86Å; F266-F279 HydrophobicContact CD1-CE2 4.01Å; F266-F279 HydrophobicContact CE1-CD2 4.24Å; F266-L282 HydrophobicContact CE1-CD1 4.23Å; F266-L282 HydrophobicContact CZ-CD1 4.34Å; F266-F283 HydrophobicContact CD1-CE2 4.13Å; F266-F283 HydrophobicContact CD1-CZ 4.37Å; F266-F283 HydrophobicContact CE1-CE2 4.14Å; F266-F283 HydrophobicContact CE1-CZ 4.36Å
267L82.8Confident75.9Confident48 Ų4877.6 Ų77.625%0.25137%0.373SS..Hα-helixtrans-63.7-41.1175.1178.361000111.9L263 G264 F269 L270 K271 E276 F279L263-L267 WeakPolarHBondContact O-CB 3.29Å; L263-L267 PolarHBondContact O-N 3.19Å; G264-L267 PolarHBondContact O-N 2.94Å; L267-F269 VanDerWaalsContact C-N 3.34Å; L267-L270 PolarHBondContact O-N 3.17Å; L267-K271 WeakPolarHBondContact O-CG 3.17Å; L267-K271 PolarHBondContact O-N 2.94Å; L267-E276 HydrophobicContact CD1-CB 4.27Å; L267-F279 HydrophobicContact CB-CD2 3.92Å; L267-F279 HydrophobicContact CB-CE2 3.87Å; L267-F279 HydrophobicContact CB-CG 4.49Å; L267-F279 HydrophobicContact CB-CZ 4.41Å; L267-F279 HydrophobicContact CD1-CB 3.86Å; L267-F279 HydrophobicContact CD1-CD1 4.25Å; L267-F279 HydrophobicContact CD1-CD2 4.01Å; L267-F279 HydrophobicContact CD1-CG 3.79Å
268E85.6Confident78Confident133 Ų13369.4 Ų69.462%0.62133%0.329SS*.Hα-helixtrans-62.5-41.7174.6-71.2179.6158.800112G264 Q265 K271 K272G264-E268 PolarHBondContact O-N 2.93Å; Q265-E268 PolarHBondContact O-N 3.32Å; E268-K271 PolarHBondContact O-N 3.4Å; E268-K272 PolarHBondContact O-N 3.45Å
269F88.8Confident79.8Confident40 Ų4066.3 Ų66.318%0.17531%0.311CS..Hα-helixtrans-58.4-50.2172.7174.6-94.1000111.1F186 F239 L245 Q265 F266 L267 K271 K272 H273F186-F269 AromaticContact CD1-CE1 3.75Å; F186-F269 HydrophobicContact CD1-CE1 3.75Å; F186-F269 HydrophobicContact CD1-CZ 4.03Å; F186-F269 AromaticContact CE1-CE1 3.61Å; F186-F269 HydrophobicContact CE1-CE1 3.61Å; F186-F269 HydrophobicContact CE1-CZ 4.34Å; F186-F269 HydrophobicContact CG-CE1 4.34Å; F186-F269 HydrophobicContact CG-CZ 4.49Å; F186-F269 HydrophobicContact CZ-CE1 4.08Å; F239-F269 HydrophobicContact CD1-CZ 4.06Å; F239-F269 AromaticContact CE1-CE1 3.6Å; F239-F269 HydrophobicContact CE1-CE1 3.6Å; F239-F269 AromaticContact CE1-CZ 3.54Å; F239-F269 HydrophobicContact CE1-CZ 3.54Å; F239-F269 HydrophobicContact CZ-CE1 4.23Å; L245-F269 HydrophobicContact CD1-CD2 3.79Å; L245-F269 HydrophobicContact CD1-CE1 4.49Å; L245-F269 HydrophobicContact CD1-CE2 3.65Å; L245-F269 HydrophobicContact CD1-CG 4.28Å; L245-F269 HydrophobicContact CD1-CZ 4.02Å; L245-F269 HydrophobicContact CD2-CD1 3.72Å; L245-F269 HydrophobicContact CD2-CD2 4.36Å; L245-F269 HydrophobicContact CD2-CE1 3.73Å; L245-F269 HydrophobicContact CD2-CE2 4.36Å; L245-F269 HydrophobicContact CD2-CG 4.05Å; L245-F269 HydrophobicContact CD2-CZ 4.05Å; Q265-F269 WeakPolarHBondContact O-CB 3.41Å; Q265-F269 PolarHBondContact O-N 3.37Å; F266-F269 HydrophobicContact CD2-CD1 4.49Å; F266-F269 HydrophobicContact CE2-CD1 4.46Å; F266-F269 WeakPolarHBondContact O-CB 3.43Å; F266-F269 PolarHBondContact O-N 3.46Å; L267-F269 VanDerWaalsContact C-N 3.34Å; F269-K271 VanDerWaalsContact C-N 3.33Å; F269-K271 PolarHBondContact O-N 2.89Å; F269-K272 WeakPolarHBondContact O-CB 3.4Å; F269-K272 PolarHBondContact O-N 3.34Å; F269-K272 VanDerWaalsContact O-N 3.17Å; F269-H273 AromaticContact CD2-CD2 3.96Å; F269-H273 AromaticContact CE2-CD2 3.66Å; F269-H273 AromaticContact CE2-NE2 3.47Å; F269-H273 WeakPolarHBondContact CE2-NE2 3.5Å; F269-H273 AromaticContact CZ-CD2 3.76Å; F269-H273 AromaticContact CZ-NE2 3.79Å; F269-H273 PolarHBondContact O-CD2 3.1Å; F269-H273 VanDerWaalsContact O-CD2 3.28Å; F269-H273 PolarHBondContact O-N 3.23Å
270L87.6Confident81.1Confident0 Ų062.9 Ų62.90%030%0.301CS..Hα-helixtrans-60-40.8177.4-68.2176.2000112.4W159 F266 L267 K272 H273 K274 S275 F279W159-L270 HydrophobicContact CH2-CD2 3.84Å; W159-L270 HydrophobicContact CZ3-CD2 3.78Å; F266-L270 HydrophobicContact CD1-CD1 4.06Å; F266-L270 HydrophobicContact CE1-CD1 3.55Å; F266-L270 HydrophobicContact CE1-CG 4.17Å; F266-L270 HydrophobicContact CE2-CD1 4.41Å; F266-L270 HydrophobicContact CE2-CD2 4.13Å; F266-L270 HydrophobicContact CE2-CG 4.14Å; F266-L270 HydrophobicContact CZ-CD1 3.74Å; F266-L270 HydrophobicContact CZ-CD2 3.91Å; F266-L270 HydrophobicContact CZ-CG 3.93Å; F266-L270 WeakPolarHBondContact O-CG 3.34Å; F266-L270 PolarHBondContact O-N 3.33Å; L267-L270 PolarHBondContact O-N 3.17Å; L270-K272 VanDerWaalsContact C-N 3.34Å; L270-K272 PolarHBondContact O-N 3.34Å; L270-H273 CarbonylContact O-C 3.34Å; L270-H273 PolarHBondContact O-N 3.37Å; L270-H273 VanDerWaalsContact O-N 3.13Å; L270-K274 PolarHBondContact O-N 3.11Å; L270-S275 VanDerWaalsContact CD2-OG 3.22Å; L270-S275 WeakPolarHBondContact CD2-OG 3.42Å; L270-S275 PolarHBondContact O-N 3.37Å; L270-S275 PolarHBondContact O-OG 3.32Å; L270-F279 HydrophobicContact CD1-CB 3.84Å; L270-F279 HydrophobicContact CD1-CD2 4.11Å
271K86.8Confident82.2Confident121 Ų12161.5 Ų61.553%0.52630%0.296SS..Hα-helixtrans-61-41.7175.5-75.4175.2178.4179.40112.3L267 E268 F269 H273 K274 E276L267-K271 WeakPolarHBondContact O-CG 3.17Å; L267-K271 PolarHBondContact O-N 2.94Å; E268-K271 PolarHBondContact O-N 3.4Å; F269-K271 VanDerWaalsContact C-N 3.33Å; F269-K271 PolarHBondContact O-N 2.89Å; K271-H273 PolarHBondContact O-N 3.31Å; K271-K274 PolarHBondContact O-N 3Å; K271-K274 VanDerWaalsContact O-N 3.11Å; K271-E276 HydrophobicContact CG-CB 3.73Å; K271-E276 HydrophobicContact CG-CG 4.33Å
272K90.1Very high82.8Confident173 Ų17361.1 Ų61.175%0.75229%0.294SS*.Hα-helixtrans-60.2-33.3176.4-173.9-177.7177.2-1740111.7E268 F269 L270E268-K272 PolarHBondContact O-N 3.45Å; F269-K272 WeakPolarHBondContact O-CB 3.4Å; F269-K272 PolarHBondContact O-N 3.34Å; F269-K272 VanDerWaalsContact O-N 3.17Å; L270-K272 VanDerWaalsContact C-N 3.34Å; L270-K272 PolarHBondContact O-N 3.34Å
273H89.9Confident83Confident44 Ų4462 Ų6220%0.20430%0.296CS..THydrogen-bonded Turntrans-95.99.3178.6-70.9-88.3000113.7L238 F239 F269 L270 K271 S275L238-H273 HydrophobicContact CB-CB 4.46Å; L238-H273 WeakPolarHBondContact CD1-O 3.38Å; L238-H273 WeakPolarHBondContact CD2-O 3.37Å; L238-H273 PolarHBondContact O-ND1 3.32Å; F239-H273 AromaticContact CD1-CE1 3.73Å; F239-H273 AromaticContact CD1-CG 3.99Å; F239-H273 AromaticContact CD1-ND1 3.53Å; F239-H273 HydrophobicContact CE1-CB 3.8Å; F239-H273 AromaticContact CE1-CD2 3.85Å; F239-H273 AromaticContact CE1-CE1 3.92Å; F239-H273 AromaticContact CE1-CG 3.43Å; F239-H273 VanDerWaalsContact CE1-CG 3.43Å; F239-H273 AromaticContact CE1-ND1 3.48Å; F239-H273 WeakPolarHBondContact CE1-ND1 3.41Å; F239-H273 HydrophobicContact CZ-CB 4.04Å; F269-H273 AromaticContact CD2-CD2 3.96Å; F269-H273 AromaticContact CE2-CD2 3.66Å; F269-H273 AromaticContact CE2-NE2 3.47Å; F269-H273 WeakPolarHBondContact CE2-NE2 3.5Å; F269-H273 AromaticContact CZ-CD2 3.76Å; F269-H273 AromaticContact CZ-NE2 3.79Å; F269-H273 PolarHBondContact O-CD2 3.1Å; F269-H273 VanDerWaalsContact O-CD2 3.28Å; F269-H273 PolarHBondContact O-N 3.23Å; L270-H273 CarbonylContact O-C 3.34Å; L270-H273 PolarHBondContact O-N 3.37Å; L270-H273 VanDerWaalsContact O-N 3.13Å; K271-H273 PolarHBondContact O-N 3.31Å; H273-S275 VanDerWaalsContact C-N 3.29Å; H273-S275 PolarHBondContact O-N 3.11Å
274K87.6Confident82.4Confident169 Ų16962 Ų6274%0.73531%0.311SS*.THydrogen-bonded Turntrans56.238.3-179.9-53.3178-178.7175.60113.8L270 K271 E276L270-K274 PolarHBondContact O-N 3.11Å; K271-K274 PolarHBondContact O-N 3Å; K271-K274 VanDerWaalsContact O-N 3.11Å; K274-E276 WeakPolarHBondContact CA-OE2 3.49Å
275S87.6Confident81.3Confident0 Ų064.6 Ų64.60%032%0.315CS..  trans-129.228.3-178.663.60000112.8L270 H273 H277 V278L270-S275 VanDerWaalsContact CD2-OG 3.22Å; L270-S275 WeakPolarHBondContact CD2-OG 3.42Å; L270-S275 PolarHBondContact O-N 3.37Å; L270-S275 PolarHBondContact O-OG 3.32Å; H273-S275 VanDerWaalsContact C-N 3.29Å; H273-S275 PolarHBondContact O-N 3.11Å; S275-H277 VanDerWaalsContact C-N 3.29Å; S275-H277 PolarHBondContact O-N 2.87Å; S275-V278 WeakPolarHBondContact O-CB 3.45Å; S275-V278 PolarHBondContact O-N 2.88Å
276E86.7Confident79.2Confident89 Ų8970.6 Ų70.642%0.41634%0.343SS..THydrogen-bonded Turntrans-66.1-26.2-17663.8-89.3-153.100114.2L267 K271 K274 V278 F279L267-E276 HydrophobicContact CD1-CB 4.27Å; K271-E276 HydrophobicContact CG-CB 3.73Å; K271-E276 HydrophobicContact CG-CG 4.33Å; K274-E276 WeakPolarHBondContact CA-OE2 3.49Å; E276-V278 PolarHBondContact O-N 2.88Å; E276-F279 VanDerWaalsContact O-CB 3.25Å; E276-F279 WeakPolarHBondContact O-CB 3.36Å; E276-F279 PolarHBondContact O-N 3.01Å; E276-F279 VanDerWaalsContact O-N 3.11Å
277H82.2Confident76.9Confident76 Ų7674.2 Ų74.235%0.35237%0.368SS..Hα-helixtrans-59.2-31.6177.161.2-67.8000112E225 S275 F279 Q280E225-H277 IonicContact OE1-CD2 3.96Å; E225-H277 IonicContact OE1-CE1 3.47Å; E225-H277 PolarHBondContact OE1-CE1 3.03Å; E225-H277 IonicContact OE1-NE2 2.79Å; E225-H277 PolarHBondContact OE1-NE2 2.81Å; S275-H277 VanDerWaalsContact C-N 3.29Å; S275-H277 PolarHBondContact O-N 2.87Å; H277-F279 PolarHBondContact O-N 3.26Å; H277-Q280 PolarHBondContact O-N 3.32Å
278V86.5Confident74.5Confident0 Ų081 Ų810%040%0.396CS..Hα-helixtrans-66.6-27.4-179.6179.60000112.2W159 S275 E276 Q280 I281 L282W159-V278 HydrophobicContact CB-CG1 4.06Å; W159-V278 HydrophobicContact CD2-CB 4.28Å; W159-V278 HydrophobicContact CD2-CG1 3.46Å; W159-V278 VanDerWaalsContact CD2-CG1 3.46Å; W159-V278 HydrophobicContact CD2-CG2 4.06Å; W159-V278 HydrophobicContact CE3-CG1 3.65Å; W159-V278 HydrophobicContact CG-CG1 3.64Å; W159-V278 HydrophobicContact CG-CG2 4.38Å; W159-V278 HydrophobicContact CH2-CG2 4.36Å; W159-V278 HydrophobicContact CZ2-CB 4.37Å; W159-V278 HydrophobicContact CZ2-CG1 4.39Å; W159-V278 HydrophobicContact CZ2-CG2 3.72Å; W159-V278 HydrophobicContact CZ3-CG1 4.17Å; S275-V278 WeakPolarHBondContact O-CB 3.45Å; S275-V278 PolarHBondContact O-N 2.88Å; E276-V278 PolarHBondContact O-N 2.88Å; V278-Q280 VanDerWaalsContact C-N 3.26Å; V278-Q280 PolarHBondContact O-N 3.07Å; V278-I281 PolarHBondContact O-N 3.03Å; V278-I281 VanDerWaalsContact O-N 3.1Å; V278-L282 HydrophobicContact CG1-CD1 3.64Å; V278-L282 HydrophobicContact CG1-CG 3.75Å; V278-L282 WeakPolarHBondContact O-CG 3.25Å; V278-L282 PolarHBondContact O-N 3.01Å
279F80.4Confident72Confident28 Ų2879 Ų7912%0.12340%0.397CS..Hα-helixtrans-56.6-43.9177.6-171.4-90.4000111.2L263 F266 L267 L270 E276 H277 F283 I285L263-F279 HydrophobicContact CB-CE2 4.21Å; L263-F279 HydrophobicContact CB-CZ 4.15Å; L263-F279 WeakPolarHBondContact O-CE2 3.27Å; F266-F279 AromaticContact CD1-CD2 3.86Å; F266-F279 HydrophobicContact CD1-CD2 3.86Å; F266-F279 HydrophobicContact CD1-CE2 4.01Å; F266-F279 HydrophobicContact CE1-CD2 4.24Å; L267-F279 HydrophobicContact CB-CD2 3.92Å; L267-F279 HydrophobicContact CB-CE2 3.87Å; L267-F279 HydrophobicContact CB-CG 4.49Å; L267-F279 HydrophobicContact CB-CZ 4.41Å; L267-F279 HydrophobicContact CD1-CB 3.86Å; L267-F279 HydrophobicContact CD1-CD1 4.25Å; L267-F279 HydrophobicContact CD1-CD2 4.01Å; L267-F279 HydrophobicContact CD1-CG 3.79Å; L270-F279 HydrophobicContact CD1-CB 3.84Å; L270-F279 HydrophobicContact CD1-CD2 4.11Å; E276-F279 VanDerWaalsContact O-CB 3.25Å; E276-F279 WeakPolarHBondContact O-CB 3.36Å; E276-F279 PolarHBondContact O-N 3.01Å; E276-F279 VanDerWaalsContact O-N 3.11Å; H277-F279 PolarHBondContact O-N 3.26Å; F279-F283 HydrophobicContact CD1-CD2 4.05Å; F279-F283 AromaticContact CD2-CD2 3.94Å; F279-F283 HydrophobicContact CD2-CD2 3.94Å; F279-F283 AromaticContact CD2-CE2 3.65Å; F279-F283 HydrophobicContact CD2-CE2 3.65Å; F279-F283 AromaticContact CE1-CD2 3.97Å; F279-F283 HydrophobicContact CE1-CD2 3.97Å; F279-F283 HydrophobicContact CE1-CE2 4.47Å; F279-F283 AromaticContact CE2-CD2 3.85Å; F279-F283 HydrophobicContact CE2-CD2 3.85Å; F279-F283 AromaticContact CE2-CE2 3.51Å; F279-F283 HydrophobicContact CE2-CE2 3.51Å; F279-F283 HydrophobicContact CG-CD2 4.04Å; F279-F283 HydrophobicContact CG-CE2 4.2Å; F279-F283 AromaticContact CZ-CD2 3.87Å; F279-F283 HydrophobicContact CZ-CD2 3.87Å; F279-F283 AromaticContact CZ-CE2 3.96Å; F279-F283 HydrophobicContact CZ-CE2 3.96Å; F279-F283 WeakPolarHBondContact O-CD2 3.12Å; F279-F283 PolarHBondContact O-N 3.46Å; F279-I285 HydrophobicContact CE1-CD1 3.99Å
280Q76.7Confident69.4Low90 Ų9082.4 Ų82.442%0.42143%0.425SS..Hα-helixtrans-66.1-40.2177.3-66.2178.2-2.800111.7H277 V278 G284 I285H277-Q280 PolarHBondContact O-N 3.32Å; V278-Q280 VanDerWaalsContact C-N 3.26Å; V278-Q280 PolarHBondContact O-N 3.07Å; Q280-G284 WeakPolarHBondContact O-CA 3.33Å; Q280-G284 PolarHBondContact O-N 2.79Å; Q280-I285 PolarHBondContact O-N 3.37Å
281I76.8Confident67Low68 Ų6889.7 Ų89.735%0.34946%0.464SS..Hα-helixtrans-67.5-40-179-57.1172.3000111.5H223 V278H223-I281 HydrophobicContact CB-CG2 3.86Å; V278-I281 PolarHBondContact O-N 3.03Å; V278-I281 VanDerWaalsContact O-N 3.1Å
282L76Confident64.4Low9 Ų993 Ų935%0.04750%0.502CS..Hα-helixtrans-69.5-35.8-179.8-73.3173.9000112.7W159 I194 K222 F266 V278W159-L282 HydrophobicContact CB-CD2 4.27Å; I194-L282 HydrophobicContact CD1-CD1 4.23Å; I194-L282 HydrophobicContact CG2-CD1 3.95Å; K222-L282 HydrophobicContact CB-CD2 3.88Å; K222-L282 HydrophobicContact CG-CD2 4.08Å; F266-L282 HydrophobicContact CE1-CD1 4.23Å; F266-L282 HydrophobicContact CZ-CD1 4.34Å; V278-L282 HydrophobicContact CG1-CD1 3.64Å; V278-L282 HydrophobicContact CG1-CG 3.75Å; V278-L282 WeakPolarHBondContact O-CG 3.25Å; V278-L282 PolarHBondContact O-N 3.01Å
283F75.4Confident63.1Low52 Ų5289 Ų8923%0.22849%0.49CS..Hα-helixtrans-107.9-3.8-173.8-57.5-58.9000114.8Y161 P192 I194 L263 F266 F279 I285Y161-F283 HydrophobicContact CE2-CE1 4.21Å; P192-F283 HydrophobicContact CG-CE1 3.62Å; P192-F283 HydrophobicContact CG-CZ 4.21Å; I194-F283 HydrophobicContact CD1-CE1 4.39Å; I194-F283 HydrophobicContact CD1-CZ 3.68Å; L263-F283 HydrophobicContact CD2-CE1 4.18Å; L263-F283 HydrophobicContact CD2-CE2 4.13Å; L263-F283 HydrophobicContact CD2-CZ 3.59Å; F266-F283 HydrophobicContact CD1-CE2 4.13Å; F266-F283 HydrophobicContact CD1-CZ 4.37Å; F266-F283 HydrophobicContact CE1-CE2 4.14Å; F266-F283 HydrophobicContact CE1-CZ 4.36Å; F279-F283 HydrophobicContact CD1-CD2 4.05Å; F279-F283 AromaticContact CD2-CD2 3.94Å; F279-F283 HydrophobicContact CD2-CD2 3.94Å; F279-F283 AromaticContact CD2-CE2 3.65Å; F279-F283 HydrophobicContact CD2-CE2 3.65Å; F279-F283 AromaticContact CE1-CD2 3.97Å; F279-F283 HydrophobicContact CE1-CD2 3.97Å; F279-F283 HydrophobicContact CE1-CE2 4.47Å; F279-F283 AromaticContact CE2-CD2 3.85Å; F279-F283 HydrophobicContact CE2-CD2 3.85Å; F279-F283 AromaticContact CE2-CE2 3.51Å; F279-F283 HydrophobicContact CE2-CE2 3.51Å; F279-F283 HydrophobicContact CG-CD2 4.04Å; F279-F283 HydrophobicContact CG-CE2 4.2Å; F279-F283 AromaticContact CZ-CD2 3.87Å; F279-F283 HydrophobicContact CZ-CD2 3.87Å; F279-F283 AromaticContact CZ-CE2 3.96Å; F279-F283 HydrophobicContact CZ-CE2 3.96Å; F279-F283 WeakPolarHBondContact O-CD2 3.12Å; F279-F283 PolarHBondContact O-N 3.46Å; F283-I285 VanDerWaalsContact C-N 3.32Å; F283-I285 HydrophobicContact CB-CD1 4.17Å; F283-I285 HydrophobicContact CB-CG1 4.13Å; F283-I285 PolarHBondContact O-N 3.29Å
284G60.2Low61.7Low63 Ų6391.3 Ų91.365%0.64951%0.505SS*.THydrogen-bonded Turntrans66.929.7177.900000114Q280 E286Q280-G284 WeakPolarHBondContact O-CA 3.33Å; Q280-G284 PolarHBondContact O-N 2.79Å; G284-E286 PolarHBondContact O-N 3.22Å
285I53.6Low60.2Low96 Ų9687 Ų8749%0.49249%0.492SS..  trans-86.893.2177.6-54.5172.4000107.3F279 Q280 F283 S287F279-I285 HydrophobicContact CE1-CD1 3.99Å; Q280-I285 PolarHBondContact O-N 3.37Å; F283-I285 VanDerWaalsContact C-N 3.32Å; F283-I285 HydrophobicContact CB-CD1 4.17Å; F283-I285 HydrophobicContact CB-CG1 4.13Å; F283-I285 PolarHBondContact O-N 3.29Å; I285-S287 PolarHBondContact O-N 3.27Å
286E39Very low58.6Low183 Ų18392.1 Ų92.186%0.85552%0.521SS*.  trans-59.5120.1168-72.6-176.814800108.7G284 K288G284-E286 PolarHBondContact O-N 3.22Å; E286-K288 PolarHBondContact O-N 3.06Å
287S35.4Very low56.8Low76 Ų7692.3 Ų92.353%0.53153%0.527SS..  trans-63.7110.816154.70000107I285 S289I285-S287 PolarHBondContact O-N 3.27Å; S287-S289 PolarHBondContact O-N 2.9Å
288K32.3Very low55.2Low192 Ų19293.4 Ų93.484%0.83554%0.539SS*.  trans-57.7103.7146.6-75.6-174.2177.6-178.30105E286 S290E286-K288 PolarHBondContact O-N 3.06Å; K288-S290 VanDerWaalsContact C-N 3.29Å; K288-S290 PolarHBondContact O-N 2.91Å
289S33.3Very low52.9Low91 Ų91100.1 Ų100.164%0.63658%0.577SS**  trans-57101.5164.846.70000106.2S287 D291S287-S289 PolarHBondContact O-N 2.9Å; S289-D291 PolarHBondContact O-N 2.94Å
290S34.3Very low50.8Low111 Ų111105.6 Ų105.678%0.77661%0.612SS**  trans-70.181162.6-46.90000106.2K288 S292K288-S290 VanDerWaalsContact C-N 3.29Å; K288-S290 PolarHBondContact O-N 2.91Å; S290-S292 PolarHBondContact O-N 3.22Å
291D35.8Very low48.6Very low152 Ų152106.9 Ų106.981%0.81363%0.628SS**  trans-64.8114.3159.6-82.5-25.8000106.7S289S289-D291 PolarHBondContact O-N 2.94Å
292S31.8Very low46.1Very low190 Ų190110.5 Ų110.5100%1.32965%0.654SS**  trans-123.80158.6-62.80000107.2S290S290-S292 PolarHBondContact O-N 3.22Å

Retrieved 292 of 292 residues in 428.3 ms (Link to these results)

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