A0A077YVL6_TRITR Loading...

Cuticlin 1

AlphaFold DB , UniProt , Accession A0A077YVL6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 360 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
1M67.2Low87.9Confident215 Ų21562.7 Ų62.7100%1.05931%0.309SS*.  0143.90-80.6169.9162.500108.4T29M1-T29 HydrophobicContact CB-CG2 3.88Å
2K81.7Confident88Confident190 Ų19063.5 Ų63.583%0.82635%0.345SS*.PPolyproline II helixtrans-79.1138177.5-170179177.4-175.90109
3P85.4Confident88.3Confident58 Ų5863.2 Ų63.238%0.37734%0.34SS..PPolyproline II helixtrans-57.7144.7173.7-23.533.5000111.5D28P3-D28 WeakPolarHBondContact CA-O 3.39Å
4F88.1Confident88.5Confident32 Ų3265.8 Ų65.814%0.1434%0.344CS..PPolyproline II helixtrans-71.7137.5170.6172.9-102.7000109.2V8 Y23 D28 I31 I61 F63F4-V8 HydrophobicContact CE1-CG2 3.91Å; F4-V8 HydrophobicContact CZ-CG2 4.22Å; F4-Y23 HydrophobicContact CD1-CD1 4.46Å; F4-Y23 AromaticContact CD1-CD2 3.89Å; F4-Y23 HydrophobicContact CD1-CD2 3.89Å; F4-Y23 AromaticContact CD1-CG 3.71Å; F4-Y23 HydrophobicContact CD1-CG 3.71Å; F4-Y23 AromaticContact CE1-CD2 3.76Å; F4-Y23 HydrophobicContact CE1-CD2 3.76Å; F4-Y23 HydrophobicContact CE1-CG 4.01Å; F4-D28 PolarHBondContact N-O 3.13Å; F4-I31 HydrophobicContact CB-CG2 3.97Å; F4-I31 HydrophobicContact CD1-CG2 3.35Å; F4-I31 HydrophobicContact CE1-CG2 3.99Å; F4-I31 HydrophobicContact CG-CG2 3.75Å; F4-I61 HydrophobicContact CE2-CG2 3.66Å; F4-I61 HydrophobicContact CZ-CG2 3.68Å; F4-F63 HydrophobicContact CD2-CD1 4.34Å; F4-F63 HydrophobicContact CD2-CE1 4.01Å; F4-F63 AromaticContact CE2-CD1 3.76Å; F4-F63 HydrophobicContact CE2-CD1 3.76Å; F4-F63 AromaticContact CE2-CE1 3.59Å; F4-F63 HydrophobicContact CE2-CE1 3.59Å; F4-F63 HydrophobicContact CE2-CZ 4.3Å
5S89.5Confident88.8Confident70 Ų7069.1 Ų69.149%0.4938%0.375SS..  trans-132.9121.7175.1-173.60000107.6A24S5-A24 PolarHBondContact OG-O 2.7Å
6G91.2Very high89.1Confident2 Ų267.6 Ų67.62%0.02137%0.371CS..SBendtrans147-159.7-17000000111.3Y23 S62G6-Y23 WeakPolarHBondContact O-CA 3.41Å; G6-Y23 WeakPolarHBondContact O-CB 3.49Å; G6-Y23 PolarHBondContact O-N 3.42Å; G6-S62 CarbonylContact C-O 3.57Å; G6-S62 VanDerWaalsContact CA-O 3.24Å; G6-S62 WeakPolarHBondContact CA-O 3.32Å
7H92.6Very high89.3Confident6 Ų669.5 Ų69.53%0.02839%0.39CS..EExtended strand (participates in β ladder)trans-128.6143.5-173.3-52.6-83.2000110.3Y9 Y14 H20 N21 D22 S62 H64 H65H7-Y9 HydrophobicContact CB-CD1 4.17Å; H7-Y14 HydrophobicContact CB-CE2 4.49Å; H7-H20 WeakPolarHBondContact CB-NE2 3.1Å; H7-H20 AromaticContact CG-NE2 3.59Å; H7-H20 AromaticContact ND1-CE1 3.77Å; H7-H20 AromaticContact ND1-NE2 3.13Å; H7-H20 PolarHBondContact ND1-NE2 2.94Å; H7-H20 VanDerWaalsContact ND1-NE2 3.13Å; H7-N21 WeakPolarHBondContact CA-O 3.47Å; H7-D22 IonicContact CE1-OD1 2.67Å; H7-D22 PolarHBondContact CE1-OD1 3.34Å; H7-D22 IonicContact CE1-OD2 3.74Å; H7-D22 PolarHBondContact CE1-OD2 3.39Å; H7-D22 IonicContact ND1-OD1 3.12Å; H7-D22 PolarHBondContact ND1-OD1 3.45Å; H7-D22 IonicContact ND1-OD2 3.4Å; H7-S62 PolarHBondContact N-O 3.42Å; H7-S62 PolarHBondContact O-N 2.91Å; H7-H64 PolarHBondContact CD2-O 3.48Å; H7-H65 VanDerWaalsContact NE2-CA 3.27Å; H7-H65 WeakPolarHBondContact NE2-CA 3.41Å
8V93.9Very high89.6Confident6 Ų670.1 Ų70.14%0.03639%0.392CS..EExtended strand (participates in β ladder)trans-122.4121.6169.7-171.80000107.8F4 H20 N21 Y23 I31 M33 V60 I61F4-V8 HydrophobicContact CE1-CG2 3.91Å; F4-V8 HydrophobicContact CZ-CG2 4.22Å; V8-H20 WeakPolarHBondContact O-CA 3.39Å; V8-N21 PolarHBondContact N-O 3.47Å; V8-N21 PolarHBondContact O-N 2.91Å; V8-Y23 HydrophobicContact CB-CE2 4.16Å; V8-Y23 HydrophobicContact CG2-CD2 4.04Å; V8-Y23 HydrophobicContact CG2-CE2 3.77Å; V8-I31 HydrophobicContact CG2-CB 4.28Å; V8-I31 HydrophobicContact CG2-CD1 3.84Å; V8-I31 HydrophobicContact CG2-CG2 4.27Å; V8-M33 HydrophobicContact CG1-CB 4.48Å; V8-M33 HydrophobicContact CG1-SD 3.77Å; V8-V60 WeakPolarHBondContact CA-O 3.39Å; V8-I61 HydrophobicContact CG1-CG1 4.4Å
9Y94.2Very high89.9Confident19 Ų1966.5 Ų66.58%0.07537%0.372CS..EExtended strand (participates in β ladder)trans-146.4159.7-175.760.1-87.7000113H7 Y14 C19 V60 I68H7-Y9 HydrophobicContact CB-CD1 4.17Å; Y9-Y14 AromaticContact CD1-CD2 3.6Å; Y9-Y14 HydrophobicContact CD1-CD2 3.6Å; Y9-Y14 AromaticContact CD1-CE2 3.89Å; Y9-Y14 HydrophobicContact CD1-CE2 3.89Å; Y9-Y14 AromaticContact CD2-CD2 3.85Å; Y9-Y14 HydrophobicContact CD2-CD2 3.85Å; Y9-Y14 AromaticContact CE1-CD2 3.8Å; Y9-Y14 HydrophobicContact CE1-CD2 3.8Å; Y9-Y14 HydrophobicContact CE1-CE2 4.02Å; Y9-Y14 HydrophobicContact CE2-CD2 4.04Å; Y9-Y14 AromaticContact CG-CD2 3.62Å; Y9-Y14 HydrophobicContact CG-CD2 3.62Å; Y9-Y14 HydrophobicContact CG-CE2 4.34Å; Y9-C19 CarbonylContact C-O 3.58Å; Y9-C19 WeakPolarHBondContact CA-O 3.4Å; Y9-C19 WeakPolarHBondContact CB-O 3.39Å; Y9-V60 HydrophobicContact CD1-CB 4.41Å; Y9-V60 HydrophobicContact CD2-CB 4.12Å; Y9-V60 HydrophobicContact CD2-CG2 4.49Å; Y9-V60 HydrophobicContact CE1-CB 4.01Å; Y9-V60 HydrophobicContact CE1-CG1 3.93Å; Y9-V60 HydrophobicContact CE2-CB 3.68Å; Y9-V60 HydrophobicContact CE2-CG1 4.08Å; Y9-V60 HydrophobicContact CE2-CG2 3.97Å; Y9-V60 HydrophobicContact CG-CB 4.47Å; Y9-V60 PolarHBondContact N-O 3.12Å; Y9-V60 PolarHBondContact O-N 3.42Å; Y9-V60 WeakPolarHBondContact OH-CG1 3.34Å; Y9-I68 WeakPolarHBondContact OH-CD1 3.4Å
10V93.4Very high90.1Very high2 Ų265 Ų651%0.01236%0.362CS..EExtended strand (participates in β ladder)trans-80.7130170.9176.70000109.1G12 H13 C19 M33 M35 C40 T57 L59V10-G12 PolarHBondContact O-N 2.78Å; V10-H13 HydrophobicContact CB-CB 4.29Å; V10-H13 HydrophobicContact CG1-CB 4.49Å; V10-H13 PolarHBondContact O-N 2.71Å; V10-C19 HydrophobicContact CB-CB 4.25Å; V10-C19 HydrophobicContact CG2-CB 4.44Å; V10-C19 PolarHBondContact N-O 3.12Å; V10-M33 HydrophobicContact CG2-CE 3.77Å; V10-M35 HydrophobicContact CG2-CE 3.96Å; V10-M35 HydrophobicContact CG2-SD 3.78Å; V10-C40 HydrophobicContact CB-CB 4Å; V10-C40 HydrophobicContact CG1-CB 4.02Å; V10-C40 WeakPolarHBondContact CG1-O 3.44Å; V10-C40 HydrophobicContact CG2-CB 3.83Å; V10-T57 WeakPolarHBondContact CG1-OG1 3.27Å; V10-L59 HydrophobicContact CG2-CD2 4.08Å
11R89.3Confident90.3Very high90 Ų9064.3 Ų64.334%0.3436%0.358SS..THydrogen-bonded Turntrans-51.5132.2177.7-178.8179.1173.4153.6-4.5110.7H13 T58 V60 P218 H219R11-H13 PolarHBondContact O-CD2 2.72Å; R11-H13 PolarHBondContact O-N 2.94Å; R11-T58 HydrophobicContact CB-CG2 4.18Å; R11-T58 PolarHBondContact N-O 3.48Å; R11-V60 HydrophobicContact CB-CG2 4.15Å; R11-P218 VanDerWaalsContact NH2-CB 3.26Å; R11-H219 PolarHBondContact NH1-CE1 2.77Å; R11-H219 PolarHBondContact NH1-NE2 2.94Å
12G89.1Confident91.4Very high72 Ų7258.6 Ų58.674%0.74233%0.332SS*.THydrogen-bonded Turntrans80.6-7.8-178.800000114.9V10V10-G12 PolarHBondContact O-N 2.78Å
13H92.8Very high91.9Very high59 Ų5950.4 Ų50.427%0.27330%0.295SS..  trans-123.627.4-175.4-66.7-79.6000113.4V10 R11 S15 S16 C19 C40 G41V10-H13 HydrophobicContact CB-CB 4.29Å; V10-H13 HydrophobicContact CG1-CB 4.49Å; V10-H13 PolarHBondContact O-N 2.71Å; R11-H13 PolarHBondContact O-CD2 2.72Å; R11-H13 PolarHBondContact O-N 2.94Å; H13-S15 VanDerWaalsContact C-N 3.25Å; H13-S15 PolarHBondContact O-N 3.32Å; H13-S16 PolarHBondContact O-N 2.96Å; H13-C19 HydrophobicContact CB-CB 3.63Å; H13-C19 WeakPolarHBondContact O-CB 3.45Å; H13-C40 PolarHBondContact CD2-O 3.31Å; H13-C40 VanDerWaalsContact NE2-C 3.31Å; H13-C40 PolarHBondContact NE2-O 3.45Å; H13-G41 WeakPolarHBondContact NE2-CA 3.36Å; H13-G41 PolarHBondContact NE2-N 2.78Å
14Y91.1Very high91.8Very high100 Ų10049.5 Ų49.539%0.39229%0.293SS..THydrogen-bonded Turntrans-56.3-36.7-179-175.9-93.2000113.5H7 Y9 S16 H20H7-Y14 HydrophobicContact CB-CE2 4.49Å; Y9-Y14 AromaticContact CD1-CD2 3.6Å; Y9-Y14 HydrophobicContact CD1-CD2 3.6Å; Y9-Y14 AromaticContact CD1-CE2 3.89Å; Y9-Y14 HydrophobicContact CD1-CE2 3.89Å; Y9-Y14 AromaticContact CD2-CD2 3.85Å; Y9-Y14 HydrophobicContact CD2-CD2 3.85Å; Y9-Y14 AromaticContact CE1-CD2 3.8Å; Y9-Y14 HydrophobicContact CE1-CD2 3.8Å; Y9-Y14 HydrophobicContact CE1-CE2 4.02Å; Y9-Y14 HydrophobicContact CE2-CD2 4.04Å; Y9-Y14 AromaticContact CG-CD2 3.62Å; Y9-Y14 HydrophobicContact CG-CD2 3.62Å; Y9-Y14 HydrophobicContact CG-CE2 4.34Å; Y14-S16 VanDerWaalsContact C-N 3.26Å; Y14-S16 PolarHBondContact O-N 3.44Å; Y14-H20 AromaticContact CE2-CE1 3.7Å; Y14-H20 AromaticContact CE2-NE2 3.76Å; Y14-H20 AromaticContact CZ-CE1 3.6Å; Y14-H20 WeakPolarHBondContact O-CB 3.28Å; Y14-H20 PolarHBondContact O-ND1 2.91Å
15S92.4Very high91.7Very high116 Ų11655.9 Ų55.981%0.81133%0.329SS*.THydrogen-bonded Turntrans-75-13.9-179.456.70000113.8H13H13-S15 VanDerWaalsContact C-N 3.25Å; H13-S15 PolarHBondContact O-N 3.32Å
16S94.2Very high91.4Very high45 Ų4554.1 Ų54.132%0.31532%0.316SS..  trans-90.3119.1-178.7-62.70000109.9H13 Y14 D18 C19 H20H13-S16 PolarHBondContact O-N 2.96Å; Y14-S16 VanDerWaalsContact C-N 3.26Å; Y14-S16 PolarHBondContact O-N 3.44Å; S16-D18 PolarHBondContact O-N 2.82Å; S16-C19 CarbonylContact O-C 3.5Å; S16-C19 WeakPolarHBondContact O-CA 3.47Å; S16-C19 WeakPolarHBondContact O-CB 3.47Å; S16-C19 PolarHBondContact O-N 3.05Å; S16-H20 PolarHBondContact O-N 3.38Å
17S92.5Very high91.2Very high99 Ų9962.8 Ų62.869%0.69235%0.353SS*.G310 helixtrans-62.6-28.4-179.157.70000113.8C19S17-C19 PolarHBondContact O-N 2.97Å
18D93.6Very high90.8Very high80 Ų8066.4 Ų66.443%0.42837%0.373SS..G310 helixtrans-69.2-13.5173.3-60.2-74.4000113.1S16 K39S16-D18 PolarHBondContact O-N 2.82Å; D18-K39 HydrophobicContact CB-CD 3.68Å; D18-K39 VanDerWaalsContact CG-CD 3.47Å; D18-K39 IonicContact OD1-NZ 3.95Å; D18-K39 PolarHBondContact OD1-NZ 3.11Å; D18-K39 WeakPolarHBondContact OD2-CD 3.46Å; D18-K39 IonicContact OD2-NZ 2.62Å; D18-K39 PolarHBondContact OD2-NZ 3.44Å
19C95.7Very high90.4Very high2 Ų269.6 Ų69.61%0.01439%0.393CS..G310 helixtrans-123.410.7-169.6-49.40000112.1Y9 V10 H13 S16 S17 M33 C40Y9-C19 CarbonylContact C-O 3.58Å; Y9-C19 WeakPolarHBondContact CA-O 3.4Å; Y9-C19 WeakPolarHBondContact CB-O 3.39Å; V10-C19 HydrophobicContact CB-CB 4.25Å; V10-C19 HydrophobicContact CG2-CB 4.44Å; V10-C19 PolarHBondContact N-O 3.12Å; H13-C19 HydrophobicContact CB-CB 3.63Å; H13-C19 WeakPolarHBondContact O-CB 3.45Å; S16-C19 CarbonylContact O-C 3.5Å; S16-C19 WeakPolarHBondContact O-CA 3.47Å; S16-C19 WeakPolarHBondContact O-CB 3.47Å; S16-C19 PolarHBondContact O-N 3.05Å; S17-C19 PolarHBondContact O-N 2.97Å; C19-M33 WeakPolarHBondContact O-CE 3.48Å; C19-C40 WeakPolarHBondContact CA-SG 3.42Å; C19-C40 HydrophobicContact CB-CB 3.75Å; C19-C40 WeakPolarHBondContact CB-SG 3.47Å; C19-C40 WeakPolarHBondContact SG-CA 3.36Å; C19-C40 WeakPolarHBondContact SG-CB 3.4Å; C19-C40 CovalentContact SG-SG 2.02Å; C19-C40 PolarHBondContact SG-SG 3.39Å
20H94.6Very high90Very high36 Ų3674.8 Ų74.817%0.16742%0.42CS..EExtended strand (participates in β ladder)trans-150.4123.1-177.8171.6-147000110.2H7 V8 Y14 S16H7-H20 WeakPolarHBondContact CB-NE2 3.1Å; H7-H20 AromaticContact CG-NE2 3.59Å; H7-H20 AromaticContact ND1-CE1 3.77Å; H7-H20 AromaticContact ND1-NE2 3.13Å; H7-H20 PolarHBondContact ND1-NE2 2.94Å; H7-H20 VanDerWaalsContact ND1-NE2 3.13Å; V8-H20 WeakPolarHBondContact O-CA 3.39Å; Y14-H20 AromaticContact CE2-CE1 3.7Å; Y14-H20 AromaticContact CE2-NE2 3.76Å; Y14-H20 AromaticContact CZ-CE1 3.6Å; Y14-H20 WeakPolarHBondContact O-CB 3.28Å; Y14-H20 PolarHBondContact O-ND1 2.91Å; S16-H20 PolarHBondContact O-N 3.38Å
21N93.2Very high89.8Confident51 Ų5177.3 Ų77.327%0.27343%0.433SS..EExtended strand (participates in β ladder)trans-111.7124171.4-68.9-8.9000109.5H7 V8 Y23 V32H7-N21 WeakPolarHBondContact CA-O 3.47Å; V8-N21 PolarHBondContact N-O 3.47Å; V8-N21 PolarHBondContact O-N 2.91Å; N21-Y23 HydrophobicContact CB-CD2 4.26Å; N21-Y23 HydrophobicContact CB-CE2 3.51Å; N21-V32 PolarHBondContact ND2-O 3.2Å
22D91.4Very high89.8Confident96 Ų9676.9 Ų76.951%0.51344%0.441SS..EExtended strand (participates in β ladder)trans-95.7124173.6-173.6-6.9000110H7 A24H7-D22 IonicContact CE1-OD1 2.67Å; H7-D22 PolarHBondContact CE1-OD1 3.34Å; H7-D22 IonicContact CE1-OD2 3.74Å; H7-D22 PolarHBondContact CE1-OD2 3.39Å; H7-D22 IonicContact ND1-OD1 3.12Å; H7-D22 PolarHBondContact ND1-OD1 3.45Å; H7-D22 IonicContact ND1-OD2 3.4Å; D22-A24 WeakPolarHBondContact OD1-CB 3.28Å; D22-A24 PolarHBondContact OD1-N 2.98Å
23Y91.2Very high89.8Confident17 Ų1775.2 Ų75.27%0.06741%0.414CS..  trans-111.111.5179.2-66-90.2000112.6F4 G6 V8 N21 N25 S26 D28 I31 V32F4-Y23 HydrophobicContact CD1-CD1 4.46Å; F4-Y23 AromaticContact CD1-CD2 3.89Å; F4-Y23 HydrophobicContact CD1-CD2 3.89Å; F4-Y23 AromaticContact CD1-CG 3.71Å; F4-Y23 HydrophobicContact CD1-CG 3.71Å; F4-Y23 AromaticContact CE1-CD2 3.76Å; F4-Y23 HydrophobicContact CE1-CD2 3.76Å; F4-Y23 HydrophobicContact CE1-CG 4.01Å; G6-Y23 WeakPolarHBondContact O-CA 3.41Å; G6-Y23 WeakPolarHBondContact O-CB 3.49Å; G6-Y23 PolarHBondContact O-N 3.42Å; V8-Y23 HydrophobicContact CB-CE2 4.16Å; V8-Y23 HydrophobicContact CG2-CD2 4.04Å; V8-Y23 HydrophobicContact CG2-CE2 3.77Å; N21-Y23 HydrophobicContact CB-CD2 4.26Å; N21-Y23 HydrophobicContact CB-CE2 3.51Å; Y23-N25 PolarHBondContact O-N 2.99Å; Y23-S26 PolarHBondContact O-N 3.18Å; Y23-D28 HydrophobicContact CD1-CB 4.49Å; Y23-I31 HydrophobicContact CD1-CG2 4.18Å; Y23-I31 HydrophobicContact CD2-CG2 4.12Å; Y23-I31 HydrophobicContact CE1-CG2 4.02Å; Y23-I31 HydrophobicContact CE2-CB 4.27Å; Y23-I31 HydrophobicContact CE2-CG2 3.91Å; Y23-I31 HydrophobicContact CG-CG2 4.25Å; Y23-V32 PolarHBondContact OH-N 3.36Å; Y23-V32 PolarHBondContact OH-O 3Å
24A84.8Confident89.7Confident40 Ų4080.2 Ų80.233%0.33144%0.437SS..THydrogen-bonded Turntrans-50-38.5-177.800000113.1S5 D22S5-A24 PolarHBondContact OG-O 2.7Å; D22-A24 WeakPolarHBondContact OD1-CB 3.28Å; D22-A24 PolarHBondContact OD1-N 2.98Å
25N84.1Confident89.5Confident165 Ų16577.5 Ų77.588%0.88243%0.429SS*.THydrogen-bonded Turntrans-1108.1-179.7-63-38.5000114Y23Y23-N25 PolarHBondContact O-N 2.99Å
26S84.5Confident89.4Confident33 Ų3374.5 Ų74.523%0.23141%0.411CS..  trans-79.3149.4-179-176.90000111.7Y23 D28Y23-S26 PolarHBondContact O-N 3.18Å; S26-D28 VanDerWaalsContact OG-CB 3.31Å; S26-D28 WeakPolarHBondContact OG-CB 3.44Å; S26-D28 PolarHBondContact OG-N 3.44Å; S26-D28 PolarHBondContact OG-OD2 2.98Å
27K86.3Confident89Confident184 Ų18476.8 Ų76.880%0.842%0.415SS*.  trans-95.54.5169.6-65.5-177.3-178.6177.80112.1T29K27-T29 PolarHBondContact O-N 3.45Å
28D84.9Confident88.7Confident83 Ų8376.7 Ų76.744%0.44442%0.415SS..  trans-68.5131.9-176.5-60.4-33.9000110.9P3 F4 Y23 S26P3-D28 WeakPolarHBondContact CA-O 3.39Å; F4-D28 PolarHBondContact N-O 3.13Å; Y23-D28 HydrophobicContact CD1-CB 4.49Å; S26-D28 VanDerWaalsContact OG-CB 3.31Å; S26-D28 WeakPolarHBondContact OG-CB 3.44Å; S26-D28 PolarHBondContact OG-N 3.44Å; S26-D28 PolarHBondContact OG-OD2 2.98Å
29T85.7Confident88.5Confident73 Ų7377.1 Ų77.145%0.44841%0.413SS..SBendtrans-92.9-14.4169.654.90000111.9M1 K27M1-T29 HydrophobicContact CB-CG2 3.88Å; K27-T29 PolarHBondContact O-N 3.45Å
30I86.4Confident88.4Confident127 Ų12777.3 Ų77.365%0.65141%0.414SS*.SBendtrans-118.9117.3179.1-60.3171.8000107V32I30-V32 HydrophobicContact CG2-CG2 4.14Å
31I88.5Confident88.1Confident56 Ų5678.5 Ų78.529%0.28744%0.436SS..  trans-84.8133.3173.551.9173.4000109.3F4 V8 Y23 I61F4-I31 HydrophobicContact CB-CG2 3.97Å; F4-I31 HydrophobicContact CD1-CG2 3.35Å; F4-I31 HydrophobicContact CE1-CG2 3.99Å; F4-I31 HydrophobicContact CG-CG2 3.75Å; V8-I31 HydrophobicContact CG2-CB 4.28Å; V8-I31 HydrophobicContact CG2-CD1 3.84Å; V8-I31 HydrophobicContact CG2-CG2 4.27Å; Y23-I31 HydrophobicContact CD1-CG2 4.18Å; Y23-I31 HydrophobicContact CD2-CG2 4.12Å; Y23-I31 HydrophobicContact CE1-CG2 4.02Å; Y23-I31 HydrophobicContact CE2-CB 4.27Å; Y23-I31 HydrophobicContact CE2-CG2 3.91Å; Y23-I31 HydrophobicContact CG-CG2 4.25Å; I31-I61 HydrophobicContact CD1-CD1 3.73Å; I31-I61 HydrophobicContact CD1-CG1 4.4Å
32V89.1Confident87.9Confident81 Ų8177.4 Ų77.449%0.49143%0.43SS..  trans-128.6124.6178.4-178.30000107.8N21 Y23 I30 Q34N21-V32 PolarHBondContact ND2-O 3.2Å; Y23-V32 PolarHBondContact OH-N 3.36Å; Y23-V32 PolarHBondContact OH-O 3Å; I30-V32 HydrophobicContact CG2-CG2 4.14Å; V32-Q34 HydrophobicContact CG1-CG 4.21Å
33M89.1Confident87.8Confident37 Ų3774.2 Ų74.218%0.18241%0.41CS..  trans-116.5121174.3-163168.1-178.800109.6V8 V10 C19 M35 L59V8-M33 HydrophobicContact CG1-CB 4.48Å; V8-M33 HydrophobicContact CG1-SD 3.77Å; V10-M33 HydrophobicContact CG2-CE 3.77Å; C19-M33 WeakPolarHBondContact O-CE 3.48Å; M33-M35 HydrophobicContact CB-CE 4.21Å; M33-M35 HydrophobicContact CE-CE 3.91Å; M33-M35 HydrophobicContact CG-CE 3.55Å; M33-M35 HydrophobicContact SD-CE 3.72Å; M33-L59 HydrophobicContact CE-CD2 4.21Å; M33-L59 HydrophobicContact CG-CD2 4.4Å; M33-L59 HydrophobicContact SD-CD2 3.2Å; M33-L59 WeakPolarHBondContact SD-CD2 3.42Å
34Q89.7Confident87.7Confident164 Ų16479.7 Ų79.777%0.76643%0.431SS*.  trans-114.2131.7175.9-67.8-178.7-6.800108.3V32V32-Q34 HydrophobicContact CG1-CG 4.21Å
35M88.8Confident87.9Confident43 Ų4379.5 Ų79.521%0.21242%0.423CS..  trans-141.4136.9179.360.2-160.576.400109.4V10 M33 M42 T57 L59V10-M35 HydrophobicContact CG2-CE 3.96Å; V10-M35 HydrophobicContact CG2-SD 3.78Å; M33-M35 HydrophobicContact CB-CE 4.21Å; M33-M35 HydrophobicContact CE-CE 3.91Å; M33-M35 HydrophobicContact CG-CE 3.55Å; M33-M35 HydrophobicContact SD-CE 3.72Å; M35-M42 HydrophobicContact CG-CE 4Å; M35-M42 HydrophobicContact CG-SD 3.96Å; M35-M42 HydrophobicContact SD-CE 3.9Å; M35-M42 HydrophobicContact SD-SD 4.24Å; M35-T57 HydrophobicContact SD-CG2 3.89Å; M35-L59 HydrophobicContact CE-CD2 3.74Å
36A88.9Confident88.1Confident53 Ų5382.4 Ų82.444%0.43842%0.422SS..  trans-72.4142.117200000109.5S38 K39A36-S38 PolarHBondContact O-N 3.36Å; A36-K39 HydrophobicContact CB-CG 4.4Å; A36-K39 PolarHBondContact O-N 3.03Å
37F85.1Confident88.3Confident92 Ų9282.1 Ų82.140%0.40442%0.417SS..THydrogen-bonded Turntrans-54.9-26.7-179.5-59.1-49.4000113.6M42 R44 V55 Y81F37-M42 HydrophobicContact CD1-SD 4.34Å; F37-R44 PolarHBondContact O-NE 3.45Å; F37-R44 PolarHBondContact O-NH2 3.22Å; F37-V55 HydrophobicContact CD1-CG1 4.14Å; F37-V55 HydrophobicContact CD1-CG2 4.37Å; F37-Y81 AromaticContact CE1-CE2 3.82Å; F37-Y81 HydrophobicContact CE1-CE2 3.82Å; F37-Y81 AromaticContact CE1-CZ 3.79Å; F37-Y81 WeakPolarHBondContact CE1-OH 3.29Å; F37-Y81 HydrophobicContact CZ-CE1 4.06Å; F37-Y81 AromaticContact CZ-CE2 3.77Å; F37-Y81 HydrophobicContact CZ-CE2 3.77Å; F37-Y81 AromaticContact CZ-CZ 3.42Å; F37-Y81 VanDerWaalsContact CZ-CZ 3.42Å; F37-Y81 VanDerWaalsContact CZ-OH 3.24Å; F37-Y81 WeakPolarHBondContact CZ-OH 3.29Å
38S87.3Confident88.2Confident97 Ų9776.1 Ų76.168%0.67840%0.402SS*.THydrogen-bonded Turntrans-86.4-2.7-17853.70000114.7A36A36-S38 PolarHBondContact O-N 3.36Å
39K90.1Very high88.1Confident89 Ų8974.9 Ų74.939%0.38740%0.395SS..SBendtrans-113172.1179.9-65-161.2176.7-173.90110.7D18 A36 G41 M42D18-K39 HydrophobicContact CB-CD 3.68Å; D18-K39 VanDerWaalsContact CG-CD 3.47Å; D18-K39 IonicContact OD1-NZ 3.95Å; D18-K39 PolarHBondContact OD1-NZ 3.11Å; D18-K39 WeakPolarHBondContact OD2-CD 3.46Å; D18-K39 IonicContact OD2-NZ 2.62Å; D18-K39 PolarHBondContact OD2-NZ 3.44Å; A36-K39 HydrophobicContact CB-CG 4.4Å; A36-K39 PolarHBondContact O-N 3.03Å; K39-G41 PolarHBondContact O-N 3.29Å; K39-G41 VanDerWaalsContact O-N 3.13Å; K39-M42 WeakPolarHBondContact O-CG 3.31Å
40C92.5Very high87.9Confident7 Ų774.2 Ų74.25%0.04739%0.392CS..THydrogen-bonded Turntrans59.926.2171-42.90000115.6V10 H13 C19 M42V10-C40 HydrophobicContact CB-CB 4Å; V10-C40 HydrophobicContact CG1-CB 4.02Å; V10-C40 WeakPolarHBondContact CG1-O 3.44Å; V10-C40 HydrophobicContact CG2-CB 3.83Å; H13-C40 PolarHBondContact CD2-O 3.31Å; H13-C40 VanDerWaalsContact NE2-C 3.31Å; H13-C40 PolarHBondContact NE2-O 3.45Å; C19-C40 WeakPolarHBondContact CA-SG 3.42Å; C19-C40 HydrophobicContact CB-CB 3.75Å; C19-C40 WeakPolarHBondContact CB-SG 3.47Å; C19-C40 WeakPolarHBondContact SG-CA 3.36Å; C19-C40 WeakPolarHBondContact SG-CB 3.4Å; C19-C40 CovalentContact SG-SG 2.02Å; C19-C40 PolarHBondContact SG-SG 3.39Å; C40-M42 PolarHBondContact O-N 3.11Å; C40-M42 VanDerWaalsContact O-N 3.14Å
41G87.5Confident88Confident60 Ų6073.8 Ų73.862%0.61939%0.385SS*.THydrogen-bonded Turntrans5831.8173.800000114.2H13 K39 R43H13-G41 WeakPolarHBondContact NE2-CA 3.36Å; H13-G41 PolarHBondContact NE2-N 2.78Å; K39-G41 PolarHBondContact O-N 3.29Å; K39-G41 VanDerWaalsContact O-N 3.13Å; G41-R43 PolarHBondContact O-N 3.47Å
42M89.5Confident88Confident29 Ų2971.8 Ų71.814%0.14338%0.379CS..  trans-61.2128.8-179.1-61.8-176.892.800110.8M35 F37 K39 C40 V55 T57M35-M42 HydrophobicContact CG-CE 4Å; M35-M42 HydrophobicContact CG-SD 3.96Å; M35-M42 HydrophobicContact SD-CE 3.9Å; M35-M42 HydrophobicContact SD-SD 4.24Å; F37-M42 HydrophobicContact CD1-SD 4.34Å; K39-M42 WeakPolarHBondContact O-CG 3.31Å; C40-M42 PolarHBondContact O-N 3.11Å; C40-M42 VanDerWaalsContact O-N 3.14Å; M42-V55 HydrophobicContact CB-CG1 3.84Å; M42-V55 HydrophobicContact CE-CG1 3.66Å; M42-V55 HydrophobicContact CG-CG1 4.48Å; M42-V55 HydrophobicContact SD-CG1 3.99Å; M42-T57 HydrophobicContact CE-CG2 3.98Å
43R89.9Confident88Confident29 Ų2970.6 Ų70.611%0.10937%0.369CS..EExtended strand (participates in β ladder)trans-73.1127.7175.8177.8-179176.3-82.6-3.8109G41 Q45 V55 S56 D157G41-R43 PolarHBondContact O-N 3.47Å; R43-Q45 VanDerWaalsContact NH1-OE1 3.12Å; R43-V55 CarbonylContact O-C 3.45Å; R43-V55 WeakPolarHBondContact O-CA 3.44Å; R43-S56 PolarHBondContact N-O 3.21Å; R43-S56 PolarHBondContact O-N 2.97Å; R43-D157 IonicContact CZ-OD1 3.73Å; R43-D157 IonicContact CZ-OD2 3.73Å; R43-D157 IonicContact NE-OD1 3.71Å; R43-D157 PolarHBondContact NE-OD1 3.34Å; R43-D157 IonicContact NE-OD2 2.64Å; R43-D157 VanDerWaalsContact NH2-CG 3.3Å; R43-D157 IonicContact NH2-OD1 3.63Å; R43-D157 PolarHBondContact NH2-OD1 3.47Å; R43-D157 IonicContact NH2-OD2 3.45Å; R43-D157 PolarHBondContact NH2-OD2 3.36Å
44R89.4Confident88.1Confident132 Ų13268.9 Ų68.950%0.49836%0.361SS..EExtended strand (participates in β ladder)trans-122.5132.4-176.4-64.1177.7-176.6-171.60.2110.4F37 L53 S54 V55F37-R44 PolarHBondContact O-NE 3.45Å; F37-R44 PolarHBondContact O-NH2 3.22Å; R44-L53 HydrophobicContact CB-CD1 4.27Å; R44-S54 CarbonylContact C-O 3.46Å; R44-S54 WeakPolarHBondContact CA-O 3.39Å; R44-V55 HydrophobicContact CG-CG1 4.39Å; R44-V55 HydrophobicContact CG-CG2 4.38Å
45Q88.7Confident88.2Confident36 Ų3661.2 Ų61.217%0.16833%0.326CS..EExtended strand (participates in β ladder)trans-137.3124.9-179.2-172.9170.2-7.800109.9R43 S54 T223 M276R43-Q45 VanDerWaalsContact NH1-OE1 3.12Å; Q45-S54 PolarHBondContact N-O 3.12Å; Q45-S54 PolarHBondContact O-N 3.09Å; Q45-T223 PolarHBondContact NE2-OG1 3.47Å; Q45-T223 PolarHBondContact OE1-OG1 3.19Å; Q45-M276 HydrophobicContact CB-CE 4.18Å; Q45-M276 VanDerWaalsContact CD-CE 3.46Å; Q45-M276 HydrophobicContact CG-CE 3.93Å; Q45-M276 PolarHBondContact OE1-SD 2.03Å
46R89.4Confident88.3Confident225 Ų22559.4 Ų59.485%0.84932%0.317SS*.EExtended strand (participates in β ladder)trans-71.1135172.3-69.1-175.1179.2-136.70.8109G52 L53R46-G52 WeakPolarHBondContact CA-O 3.37Å; R46-L53 HydrophobicContact CG-CD1 4.44Å
47M88.2Confident88.4Confident28 Ų2857.5 Ų57.514%0.13830%0.3CS..EExtended strand (participates in β ladder)trans-103.9133.7171.6-62.6-179.464.300107.8P50 K51 G52 D274 M276M47-P50 VanDerWaalsContact CB-O 3.3Å; M47-P50 WeakPolarHBondContact CB-O 3.24Å; M47-K51 WeakPolarHBondContact O-CA 3.4Å; M47-G52 PolarHBondContact N-O 2.93Å; M47-G52 PolarHBondContact O-N 2.75Å; M47-D274 HydrophobicContact CE-CB 4.31Å; M47-M276 HydrophobicContact CG-CE 3.91Å; M47-M276 HydrophobicContact SD-CE 4.15Å
48A84.7Confident88.6Confident58 Ų5853.8 Ų53.848%0.47929%0.285SS..EExtended strand (participates in β ladder)trans-83.4-32.2173.300000111.9K51 D274A48-K51 WeakPolarHBondContact O-CG 3.34Å; A48-D274 VanDerWaalsContact CA-OD2 3.32Å; A48-D274 WeakPolarHBondContact CA-OD2 3.32Å; A48-D274 WeakPolarHBondContact CB-OD2 3.31Å; A48-D274 PolarHBondContact N-OD2 2.8Å
49N81.6Confident88.8Confident56 Ų5650.8 Ų50.830%0.29926%0.261SS..THydrogen-bonded Turntrans-153.7116.6176.1-134.2-9.3000113.8T271 D272 D274N49-T271 VanDerWaalsContact ND2-CG2 3.34Å; N49-T271 WeakPolarHBondContact ND2-CG2 3.47Å; N49-D272 WeakPolarHBondContact CB-O 3.35Å; N49-D272 PolarHBondContact ND2-O 2.72Å; N49-D274 PolarHBondContact N-OD2 2.91Å; N49-D274 PolarHBondContact O-N 3.03Å
50P82.3Confident88.9Confident60 Ų6047.2 Ų47.239%0.3925%0.247SC..THydrogen-bonded Turncis-59.9142.1-6.927.7-34.8000110.3M47 G52 V82M47-P50 VanDerWaalsContact CB-O 3.3Å; M47-P50 WeakPolarHBondContact CB-O 3.24Å; P50-G52 PolarHBondContact O-N 3.12Å; P50-V82 HydrophobicContact CB-CG1 3.94Å; P50-V82 HydrophobicContact CB-CG2 4.08Å; P50-V82 HydrophobicContact CG-CG2 3.99Å
51K86.9Confident88.9Confident117 Ų11748.3 Ų48.351%0.50925%0.252SS..EExtended strand (participates in β ladder)trans-58132.8177.3-76.7-175.3-177.3171.70108.9M47 A48 V82 E83M47-K51 WeakPolarHBondContact O-CA 3.4Å; A48-K51 WeakPolarHBondContact O-CG 3.34Å; K51-V82 CarbonylContact O-C 3.58Å; K51-V82 WeakPolarHBondContact O-CA 3.44Å; K51-E83 HydrophobicContact CB-CB 4.28Å; K51-E83 PolarHBondContact O-N 3.09Å
52G89.3Confident89.1Confident15 Ų1545.6 Ų45.616%0.15522%0.224CC..EExtended strand (participates in β ladder)trans165.1-159.3-175.700000114.9R46 M47 P50 Y81R46-G52 WeakPolarHBondContact CA-O 3.37Å; M47-G52 PolarHBondContact N-O 2.93Å; M47-G52 PolarHBondContact O-N 2.75Å; P50-G52 PolarHBondContact O-N 3.12Å; G52-Y81 CarbonylContact C-O 3.51Å; G52-Y81 WeakPolarHBondContact CA-O 3.27Å
53L90.1Very high89.2Confident55 Ų5549 Ų4929%0.28824%0.238SC..EExtended strand (participates in β ladder)trans-133.6122.9-177.9-174.371.8000109.7R44 R46 V55 Y81R44-L53 HydrophobicContact CB-CD1 4.27Å; R46-L53 HydrophobicContact CG-CD1 4.44Å; L53-V55 HydrophobicContact CD2-CG2 3.68Å; L53-V55 HydrophobicContact CG-CG2 3.84Å; L53-Y81 PolarHBondContact N-O 2.78Å; L53-Y81 PolarHBondContact O-N 2.87Å
54S90.3Very high89.2Confident2 Ų250.7 Ų50.71%0.01425%0.247CC..EExtended strand (participates in β ladder)trans-93.1127.4164.5-160.80000109.7R44 Q45 Q78 C79R44-S54 CarbonylContact C-O 3.46Å; R44-S54 WeakPolarHBondContact CA-O 3.39Å; Q45-S54 PolarHBondContact N-O 3.12Å; Q45-S54 PolarHBondContact O-N 3.09Å; S54-Q78 WeakPolarHBondContact OG-CG 3.27Å; S54-Q78 PolarHBondContact OG-NE2 3.46Å; S54-C79 WeakPolarHBondContact CA-O 3.18Å
55V91.8Very high88.9Confident3 Ų350.7 Ų50.72%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-119.3130.2176.1-172.30000108.2F37 M42 R43 R44 L53 Q78 C79 Y81F37-V55 HydrophobicContact CD1-CG1 4.14Å; F37-V55 HydrophobicContact CD1-CG2 4.37Å; M42-V55 HydrophobicContact CB-CG1 3.84Å; M42-V55 HydrophobicContact CE-CG1 3.66Å; M42-V55 HydrophobicContact CG-CG1 4.48Å; M42-V55 HydrophobicContact SD-CG1 3.99Å; R43-V55 CarbonylContact O-C 3.45Å; R43-V55 WeakPolarHBondContact O-CA 3.44Å; R44-V55 HydrophobicContact CG-CG1 4.39Å; R44-V55 HydrophobicContact CG-CG2 4.38Å; L53-V55 HydrophobicContact CD2-CG2 3.68Å; L53-V55 HydrophobicContact CG-CG2 3.84Å; V55-Q78 WeakPolarHBondContact O-CA 3.22Å; V55-C79 PolarHBondContact N-O 2.94Å; V55-C79 PolarHBondContact O-N 3.45Å; V55-Y81 HydrophobicContact CG2-CD2 4.34Å; V55-Y81 HydrophobicContact CG2-CE2 4.32Å
56S90.5Very high88.7Confident5 Ų551.8 Ų51.84%0.03527%0.268CS..EExtended strand (participates in β ladder)trans-136.7150.9-177.858.80000112.8R43 V77R43-S56 PolarHBondContact N-O 3.21Å; R43-S56 PolarHBondContact O-N 2.97Å; S56-V77 CarbonylContact C-O 3.5Å; S56-V77 WeakPolarHBondContact CA-O 3.46Å
57T90.8Very high88.6Confident13 Ų1347.9 Ų47.98%0.0826%0.257CS..EExtended strand (participates in β ladder)trans-155.5164.9176.1-167.90000111.2V10 M35 M42 N76 V77V10-T57 WeakPolarHBondContact CG1-OG1 3.27Å; M35-T57 HydrophobicContact SD-CG2 3.89Å; M42-T57 HydrophobicContact CE-CG2 3.98Å; T57-N76 WeakPolarHBondContact O-CA 3.34Å; T57-V77 PolarHBondContact N-O 3.02Å; T57-V77 PolarHBondContact O-N 3.15Å
58T88.9Confident88.5Confident14 Ų1452.6 Ų52.69%0.08628%0.281CS..EExtended strand (participates in β ladder)trans-109.9115.4174.8-57.60000110.2R11 A74 F75 N76R11-T58 HydrophobicContact CB-CG2 4.18Å; R11-T58 PolarHBondContact N-O 3.48Å; T58-A74 HydrophobicContact CG2-CB 4.16Å; T58-F75 CarbonylContact C-O 3.39Å; T58-F75 WeakPolarHBondContact CA-O 3.12Å; T58-N76 PolarHBondContact OG1-ND2 2.91Å
59L91.8Very high88.7Confident33 Ų3352 Ų5217%0.17327%0.272CS..EExtended strand (participates in β ladder)trans-88.6132.4173.1-73.4178.7000110.5V10 M33 M35 A74 F75 V77V10-L59 HydrophobicContact CG2-CD2 4.08Å; M33-L59 HydrophobicContact CE-CD2 4.21Å; M33-L59 HydrophobicContact CG-CD2 4.4Å; M33-L59 HydrophobicContact SD-CD2 3.2Å; M33-L59 WeakPolarHBondContact SD-CD2 3.42Å; M35-L59 HydrophobicContact CE-CD2 3.74Å; L59-A74 CarbonylContact O-C 3.56Å; L59-A74 VanDerWaalsContact O-CA 3.24Å; L59-A74 WeakPolarHBondContact O-CA 3.23Å; L59-F75 PolarHBondContact N-O 3.28Å; L59-F75 PolarHBondContact O-N 2.91Å; L59-V77 HydrophobicContact CD1-CG2 3.8Å; L59-V77 HydrophobicContact CG-CG2 4.23Å
60V92.4Very high89Confident15 Ų1554.7 Ų54.79%0.09130%0.295CS..EExtended strand (participates in β ladder)trans-112.7125.3174.1-174.50000108.7V8 Y9 R11 R73 A74V8-V60 WeakPolarHBondContact CA-O 3.39Å; Y9-V60 HydrophobicContact CD1-CB 4.41Å; Y9-V60 HydrophobicContact CD2-CB 4.12Å; Y9-V60 HydrophobicContact CD2-CG2 4.49Å; Y9-V60 HydrophobicContact CE1-CB 4.01Å; Y9-V60 HydrophobicContact CE1-CG1 3.93Å; Y9-V60 HydrophobicContact CE2-CB 3.68Å; Y9-V60 HydrophobicContact CE2-CG1 4.08Å; Y9-V60 HydrophobicContact CE2-CG2 3.97Å; Y9-V60 HydrophobicContact CG-CB 4.47Å; Y9-V60 PolarHBondContact N-O 3.12Å; Y9-V60 PolarHBondContact O-N 3.42Å; Y9-V60 WeakPolarHBondContact OH-CG1 3.34Å; R11-V60 HydrophobicContact CB-CG2 4.15Å; V60-R73 WeakPolarHBondContact CA-O 3.19Å; V60-A74 HydrophobicContact CG2-CB 4.38Å
61I92.9Very high89.3Confident30 Ų3057.3 Ų57.315%0.15431%0.305CS..EExtended strand (participates in β ladder)trans-103.8110.9171.1-53.9-177000106.8F4 V8 I31 F63 D72 R73 F75F4-I61 HydrophobicContact CE2-CG2 3.66Å; F4-I61 HydrophobicContact CZ-CG2 3.68Å; V8-I61 HydrophobicContact CG1-CG1 4.4Å; I31-I61 HydrophobicContact CD1-CD1 3.73Å; I31-I61 HydrophobicContact CD1-CG1 4.4Å; I61-F63 HydrophobicContact CG2-CE2 4.35Å; I61-F63 HydrophobicContact CG2-CZ 4.2Å; I61-D72 VanDerWaalsContact O-CA 3.32Å; I61-D72 WeakPolarHBondContact O-CA 3.32Å; I61-D72 WeakPolarHBondContact O-CB 3.22Å; I61-R73 PolarHBondContact N-O 3.45Å; I61-R73 PolarHBondContact O-N 3.09Å; I61-F75 HydrophobicContact CD1-CD2 4.14Å; I61-F75 HydrophobicContact CD1-CE2 3.68Å; I61-F75 HydrophobicContact CG1-CD2 4.38Å; I61-F75 HydrophobicContact CG1-CE2 4.2Å
62S92.7Very high89.5Confident3 Ų352.4 Ų52.42%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-111.5137.7176.9-176.10000111.1G6 H7 H64 F67 D72G6-S62 CarbonylContact C-O 3.57Å; G6-S62 VanDerWaalsContact CA-O 3.24Å; G6-S62 WeakPolarHBondContact CA-O 3.32Å; H7-S62 PolarHBondContact N-O 3.42Å; H7-S62 PolarHBondContact O-N 2.91Å; S62-H64 PolarHBondContact OG-O 3.03Å; S62-F67 PolarHBondContact OG-O 3.3Å; S62-D72 VanDerWaalsContact CA-CG 3.49Å; S62-D72 VanDerWaalsContact CB-OD2 3.22Å; S62-D72 WeakPolarHBondContact CB-OD2 3.24Å; S62-D72 PolarHBondContact OG-OD1 2.91Å; S62-D72 PolarHBondContact OG-OD2 3.34Å
63F91Very high89.6Confident100 Ų10058.2 Ų58.244%0.43930%0.302SS..  trans-97.9-9.3-178.6-61.8-88.9000113.1F4 I61 L71 D72F4-F63 HydrophobicContact CD2-CD1 4.34Å; F4-F63 HydrophobicContact CD2-CE1 4.01Å; F4-F63 AromaticContact CE2-CD1 3.76Å; F4-F63 HydrophobicContact CE2-CD1 3.76Å; F4-F63 AromaticContact CE2-CE1 3.59Å; F4-F63 HydrophobicContact CE2-CE1 3.59Å; F4-F63 HydrophobicContact CE2-CZ 4.3Å; I61-F63 HydrophobicContact CG2-CE2 4.35Å; I61-F63 HydrophobicContact CG2-CZ 4.2Å; F63-L71 HydrophobicContact CD2-CB 4.08Å; F63-L71 VanDerWaalsContact CE2-O 3.23Å; F63-L71 WeakPolarHBondContact CE2-O 3.38Å; F63-D72 PolarHBondContact N-OD1 3.31Å
64H88.9Confident89.5Confident64 Ų6458.8 Ų58.830%0.29632%0.315SS..SBendtrans-109.2144.1-178.9-171.8-82.8000110.5H7 S62 A66 F67 T69H7-H64 PolarHBondContact CD2-O 3.48Å; S62-H64 PolarHBondContact OG-O 3.03Å; H64-A66 VanDerWaalsContact C-N 3.33Å; H64-A66 PolarHBondContact ND1-N 2.93Å; H64-A66 VanDerWaalsContact ND1-N 3.16Å; H64-A66 PolarHBondContact O-N 3.39Å; H64-F67 WeakPolarHBondContact CB-O 3.43Å; H64-F67 AromaticContact CE1-CD2 3.39Å; H64-F67 WeakPolarHBondContact CE1-CD2 3.3Å; H64-F67 AromaticContact ND1-CD2 3.6Å; H64-F67 PolarHBondContact ND1-N 3.42Å; H64-T69 HydrophobicContact CB-CG2 3.66Å
65H84.1Confident89.4Confident132 Ų13263.6 Ų63.661%0.61134%0.335SS*.SBendtrans-70.3-27.2-170.167.4-92.9000115H7H7-H65 VanDerWaalsContact NE2-CA 3.27Å; H7-H65 WeakPolarHBondContact NE2-CA 3.41Å
66A84.8Confident89.2Confident60 Ų6066.3 Ų66.350%0.49635%0.35SS..SBendtrans-124.9-12.3-173.600000114.7H64H64-A66 VanDerWaalsContact C-N 3.33Å; H64-A66 PolarHBondContact ND1-N 2.93Å; H64-A66 VanDerWaalsContact ND1-N 3.16Å; H64-A66 PolarHBondContact O-N 3.39Å
67F87.7Confident89.2Confident142 Ų14268.7 Ų68.762%0.62336%0.364SS*.SBendtrans-138.3147.9-165.7-62.8-58.6000111.3S62 H64S62-F67 PolarHBondContact OG-O 3.3Å; H64-F67 WeakPolarHBondContact CB-O 3.43Å; H64-F67 AromaticContact CE1-CD2 3.39Å; H64-F67 WeakPolarHBondContact CE1-CD2 3.3Å; H64-F67 AromaticContact ND1-CD2 3.6Å; H64-F67 PolarHBondContact ND1-N 3.42Å
68I85.5Confident89.1Confident127 Ų12772.3 Ų72.365%0.65138%0.38SS*.  trans-81.6129.2167.5-62.3176.4000108.3Y9 D72Y9-I68 WeakPolarHBondContact OH-CD1 3.4Å; I68-D72 WeakPolarHBondContact CA-OD2 3.16Å; I68-D72 HydrophobicContact CG2-CB 4.29Å
69T89.2Confident89.1Confident46 Ų4674.1 Ų74.128%0.28239%0.392SS..  trans-120.1169.4-176.677.40000112.2H64 L71 D72H64-T69 HydrophobicContact CB-CG2 3.66Å; T69-L71 PolarHBondContact O-N 3.44Å; T69-L71 PolarHBondContact OG1-N 3.34Å; T69-D72 VanDerWaalsContact N-CG 3.31Å; T69-D72 PolarHBondContact N-OD2 2.88Å; T69-D72 VanDerWaalsContact O-CB 3.27Å; T69-D72 WeakPolarHBondContact O-CB 3.38Å; T69-D72 PolarHBondContact O-N 3.42Å; T69-D72 PolarHBondContact OG1-OD1 2.92Å
70S87.9Confident89Confident112 Ų11276 Ų7678%0.78341%0.409SS*.THydrogen-bonded Turntrans-64.7-16.6175.558.80000114.1D72 R73S70-D72 VanDerWaalsContact C-N 3.31Å; S70-R73 PolarHBondContact O-NH1 2.81Å
71L87.9Confident88.8Confident115 Ų11580.4 Ų80.460%0.60242%0.424SS*.THydrogen-bonded Turntrans-80.6-18.8175.9-61.4179.5000112F63 T69F63-L71 HydrophobicContact CD2-CB 4.08Å; F63-L71 VanDerWaalsContact CE2-O 3.23Å; F63-L71 WeakPolarHBondContact CE2-O 3.38Å; T69-L71 PolarHBondContact O-N 3.44Å; T69-L71 PolarHBondContact OG1-N 3.34Å
72D90.8Very high88.5Confident15 Ų1583.1 Ų83.18%0.0844%0.442CS..  trans-67.5155.9-176.1-60.83.8000110.7I61 S62 F63 I68 T69 S70I61-D72 VanDerWaalsContact O-CA 3.32Å; I61-D72 WeakPolarHBondContact O-CA 3.32Å; I61-D72 WeakPolarHBondContact O-CB 3.22Å; S62-D72 VanDerWaalsContact CA-CG 3.49Å; S62-D72 VanDerWaalsContact CB-OD2 3.22Å; S62-D72 WeakPolarHBondContact CB-OD2 3.24Å; S62-D72 PolarHBondContact OG-OD1 2.91Å; S62-D72 PolarHBondContact OG-OD2 3.34Å; F63-D72 PolarHBondContact N-OD1 3.31Å; I68-D72 WeakPolarHBondContact CA-OD2 3.16Å; I68-D72 HydrophobicContact CG2-CB 4.29Å; T69-D72 VanDerWaalsContact N-CG 3.31Å; T69-D72 PolarHBondContact N-OD2 2.88Å; T69-D72 VanDerWaalsContact O-CB 3.27Å; T69-D72 WeakPolarHBondContact O-CB 3.38Å; T69-D72 PolarHBondContact O-N 3.42Å; T69-D72 PolarHBondContact OG1-OD1 2.92Å; S70-D72 VanDerWaalsContact C-N 3.31Å
73R90.6Very high87.9Confident137 Ų13789 Ų8952%0.51747%0.47SS..EExtended strand (participates in β ladder)trans-133.5137.2-178.1-64.3-67.6179.4-106.76.3109.7V60 I61 S70 F75V60-R73 WeakPolarHBondContact CA-O 3.19Å; I61-R73 PolarHBondContact N-O 3.45Å; I61-R73 PolarHBondContact O-N 3.09Å; S70-R73 PolarHBondContact O-NH1 2.81Å; R73-F75 HydrophobicContact CB-CD2 4.37Å; R73-F75 HydrophobicContact CB-CE2 3.48Å; R73-F75 VanDerWaalsContact CB-CE2 3.48Å; R73-F75 HydrophobicContact CB-CZ 3.77Å; R73-F75 HydrophobicContact CG-CZ 4.39Å
74A89Confident86.9Confident67 Ų6791.3 Ų91.355%0.55448%0.482SS*.EExtended strand (participates in β ladder)trans-114.8132.9172.500000109.3T58 L59 V60T58-A74 HydrophobicContact CG2-CB 4.16Å; L59-A74 CarbonylContact O-C 3.56Å; L59-A74 VanDerWaalsContact O-CA 3.24Å; L59-A74 WeakPolarHBondContact O-CA 3.23Å; V60-A74 HydrophobicContact CG2-CB 4.38Å
75F89.1Confident85.6Confident103 Ų10394.5 Ų94.545%0.45250%0.501SS..EExtended strand (participates in β ladder)trans-123124.3180-60.2-84.9000109T58 L59 I61 R73T58-F75 CarbonylContact C-O 3.39Å; T58-F75 WeakPolarHBondContact CA-O 3.12Å; L59-F75 PolarHBondContact N-O 3.28Å; L59-F75 PolarHBondContact O-N 2.91Å; I61-F75 HydrophobicContact CD1-CD2 4.14Å; I61-F75 HydrophobicContact CD1-CE2 3.68Å; I61-F75 HydrophobicContact CG1-CD2 4.38Å; I61-F75 HydrophobicContact CG1-CE2 4.2Å; R73-F75 HydrophobicContact CB-CD2 4.37Å; R73-F75 HydrophobicContact CB-CE2 3.48Å; R73-F75 VanDerWaalsContact CB-CE2 3.48Å; R73-F75 HydrophobicContact CB-CZ 3.77Å; R73-F75 HydrophobicContact CG-CZ 4.39Å
76N86.1Confident84.3Confident59 Ų5994.9 Ų94.932%0.31651%0.506SS..EExtended strand (participates in β ladder)trans-81.5119.1166.6-167.2-79.9000108.7T57 T58 P279T57-N76 WeakPolarHBondContact O-CA 3.34Å; T58-N76 PolarHBondContact OG1-ND2 2.91Å; N76-P279 HydrophobicContact CB-CG 3.92Å; N76-P279 VanDerWaalsContact CG-CG 3.49Å; N76-P279 WeakPolarHBondContact ND2-CG 3.23Å
77V90.4Very high83Confident56 Ų5699 Ų9934%0.33952%0.519SS..EExtended strand (participates in β ladder)trans-107.9127.7179.8-177.20000108.1S56 T57 L59S56-V77 CarbonylContact C-O 3.5Å; S56-V77 WeakPolarHBondContact CA-O 3.46Å; T57-V77 PolarHBondContact N-O 3.02Å; T57-V77 PolarHBondContact O-N 3.15Å; L59-V77 HydrophobicContact CD1-CG2 3.8Å; L59-V77 HydrophobicContact CG-CG2 4.23Å
78Q89.4Confident81Confident88 Ų88100.5 Ų100.541%0.41153%0.53SS..EExtended strand (participates in β ladder)trans-125.7131.9177.7-176.2177.710.900109.7S54 V55 M276S54-Q78 WeakPolarHBondContact OG-CG 3.27Å; S54-Q78 PolarHBondContact OG-NE2 3.46Å; V55-Q78 WeakPolarHBondContact O-CA 3.22Å; Q78-M276 PolarHBondContact NE2-SD 3.44Å
79C90Very high79.4Confident52 Ų52100 Ų10035%0.35153%0.533SS..EExtended strand (participates in β ladder)trans-122.7128.9176.4-59.60000108.9S54 V55 Y81S54-C79 WeakPolarHBondContact CA-O 3.18Å; V55-C79 PolarHBondContact N-O 2.94Å; V55-C79 PolarHBondContact O-N 3.45Å; C79-Y81 HydrophobicContact CB-CD2 4.47Å; C79-Y81 HydrophobicContact CB-CE2 3.63Å
80S88Confident77.6Confident74 Ų74104.8 Ų104.852%0.51755%0.552SS.*EExtended strand (participates in β ladder)trans-109.5119.4178.1-60.80000109.5
81Y88.9Confident75.6Confident106 Ų106107.3 Ų107.342%0.41656%0.556SS.*EExtended strand (participates in β ladder)trans-105.4116.5178-63.6-87.9000108.5F37 G52 L53 V55 C79F37-Y81 AromaticContact CE1-CE2 3.82Å; F37-Y81 HydrophobicContact CE1-CE2 3.82Å; F37-Y81 AromaticContact CE1-CZ 3.79Å; F37-Y81 WeakPolarHBondContact CE1-OH 3.29Å; F37-Y81 HydrophobicContact CZ-CE1 4.06Å; F37-Y81 AromaticContact CZ-CE2 3.77Å; F37-Y81 HydrophobicContact CZ-CE2 3.77Å; F37-Y81 AromaticContact CZ-CZ 3.42Å; F37-Y81 VanDerWaalsContact CZ-CZ 3.42Å; F37-Y81 VanDerWaalsContact CZ-OH 3.24Å; F37-Y81 WeakPolarHBondContact CZ-OH 3.29Å; G52-Y81 CarbonylContact C-O 3.51Å; G52-Y81 WeakPolarHBondContact CA-O 3.27Å; L53-Y81 PolarHBondContact N-O 2.78Å; L53-Y81 PolarHBondContact O-N 2.87Å; V55-Y81 HydrophobicContact CG2-CD2 4.34Å; V55-Y81 HydrophobicContact CG2-CE2 4.32Å; C79-Y81 HydrophobicContact CB-CD2 4.47Å; C79-Y81 HydrophobicContact CB-CE2 3.63Å
82V85.7Confident73.8Confident87 Ų87108.3 Ų108.353%0.52756%0.56SS.*EExtended strand (participates in β ladder)trans-86.2135.6177.8-1780000108.9P50 K51 E84P50-V82 HydrophobicContact CB-CG1 3.94Å; P50-V82 HydrophobicContact CB-CG2 4.08Å; P50-V82 HydrophobicContact CG-CG2 3.99Å; K51-V82 CarbonylContact O-C 3.58Å; K51-V82 WeakPolarHBondContact O-CA 3.44Å; V82-E84 PolarHBondContact O-N 3.47Å
83E81.6Confident71.7Confident128 Ų128115.7 Ų115.760%0.59860%0.599SS**  trans-76.2110167.1-171.4171.5-166.500107.4K51 D85K51-E83 HydrophobicContact CB-CB 4.28Å; K51-E83 PolarHBondContact O-N 3.09Å; E83-D85 PolarHBondContact O-N 3.2Å
84E68.6Low69.8Low148 Ų148113.9 Ų113.969%0.69260%0.603SS**  trans-76.7121.6173-69.7-176177.300108.9V82 L86V82-E84 PolarHBondContact O-N 3.47Å; E84-L86 HydrophobicContact CB-CG 4.43Å; E84-L86 PolarHBondContact O-N 2.93Å
85D62.3Low67.9Low130 Ų130116.7 Ų116.770%0.69562%0.619SS**  trans-68.780.1165.1-73.5-33.1000107.7E83 I87E83-D85 PolarHBondContact O-N 3.2Å; D85-I87 PolarHBondContact O-N 3.03Å
86L56.5Low66.1Low140 Ų140116 Ų11673%0.73363%0.627SS**  trans-6789.6170.3-78.8164000107.5E84 M88E84-L86 HydrophobicContact CB-CG 4.43Å; E84-L86 PolarHBondContact O-N 2.93Å; L86-M88 VanDerWaalsContact C-N 3.26Å; L86-M88 PolarHBondContact O-N 3.35Å
87I57.6Low64.4Low147 Ų147120.4 Ų120.475%0.75465%0.649SS**  trans-63.498.3162.7-39.3174.1000104.8D85 T89D85-I87 PolarHBondContact O-N 3.03Å; I87-T89 PolarHBondContact O-N 2.96Å
88M46.4Very low62.4Low174 Ų174123.4 Ų123.486%0.85767%0.67SS**  trans-64.487.4168.3-78.4-162.1176.800107.6L86 Q90L86-M88 VanDerWaalsContact C-N 3.26Å; L86-M88 PolarHBondContact O-N 3.35Å; M88-Q90 PolarHBondContact O-N 2.96Å
89T50.9Low60.5Low115 Ų115124.7 Ų124.771%0.70668%0.684SS**  trans-65.890.7158.343.30000106.2I87 N91I87-T89 PolarHBondContact O-N 2.96Å; T89-N91 PolarHBondContact O-N 3.05Å
90Q52Low58.6Low147 Ų147128 Ų12869%0.68770%0.703SS**  trans-52.9123.4155.7-82.3-171.60.400106M88 M92M88-Q90 PolarHBondContact O-N 2.96Å; Q90-M92 HydrophobicContact CB-CG 4.47Å; Q90-M92 PolarHBondContact O-N 3.45Å
91N46.8Very low56.6Low165 Ų165131.3 Ų131.388%0.88272%0.715SS**  trans-58.887.4170.4-79.67.2000108.4T89T89-N91 PolarHBondContact O-N 3.05Å
92M49.6Very low54.6Low137 Ų137131.7 Ų131.768%0.67573%0.728SS**  trans-93.3108.8162-63.3-156.3169.500105.8Q90 V94Q90-M92 HydrophobicContact CB-CG 4.47Å; Q90-M92 PolarHBondContact O-N 3.45Å; M92-V94 VanDerWaalsContact C-N 3.27Å; M92-V94 HydrophobicContact CB-CG2 3.82Å; M92-V94 PolarHBondContact O-N 2.67Å
93D46.5Very low52.8Low169 Ų169133.6 Ų133.690%0.90474%0.735SS**  trans-64.990.4169.5-172.516.9000107.9
94V50.6Low51.3Low99 Ų99132.1 Ų132.160%0.674%0.739SS**  trans-120.5102.7175.5-1620000107.3M92 S96M92-V94 VanDerWaalsContact C-N 3.27Å; M92-V94 HydrophobicContact CB-CG2 3.82Å; M92-V94 PolarHBondContact O-N 2.67Å; V94-S96 PolarHBondContact O-N 3.22Å
95S49.6Very low50.9Low127 Ų127129.3 Ų129.389%0.88873%0.729SS**  trans-63.281.5169.449.30000110.3
96S50.8Low51Low87 Ų87125.2 Ų125.261%0.60871%0.709SS**  trans-126.1139.7165.955.80000107.3V94V94-S96 PolarHBondContact O-N 3.22Å
97L50.2Low52.2Low152 Ų152122.3 Ų122.380%0.79670%0.701SS**  trans-41.3130.5-179.9-92.866.7000109.6T99L97-T99 VanDerWaalsContact C-N 3.3Å; L97-T99 PolarHBondContact O-N 2.78Å
98P48.8Very low53.5Low120 Ų120119.1 Ų119.178%0.77969%0.685SS**  trans-6599.4176.526.5-30.6000107T100P98-T100 VanDerWaalsContact C-N 3.33Å; P98-T100 PolarHBondContact O-N 3.06Å
99T49.5Very low55.6Low114 Ų114111.1 Ų111.170%0.69965%0.645SS**  trans-70.5101.7163.744.90000104.8L97 N101L97-T99 VanDerWaalsContact C-N 3.3Å; L97-T99 PolarHBondContact O-N 2.78Å; T99-N101 PolarHBondContact O-N 3.18Å
100T49.4Very low57.6Low121 Ų121110.6 Ų110.674%0.74264%0.642SS**  trans-65.794.3167.441.60000106.3P98 V102P98-T100 VanDerWaalsContact C-N 3.33Å; P98-T100 PolarHBondContact O-N 3.06Å; T100-V102 PolarHBondContact O-N 2.92Å
101N47.6Very low59.6Low144 Ų144104.6 Ų104.677%0.7762%0.616SS**  trans-60.298.7162.3-72.4-48.7000105.7T99 D103T99-N101 PolarHBondContact O-N 3.18Å; N101-D103 PolarHBondContact O-N 3.33Å
102V45Very low61.9Low114 Ų11499.4 Ų99.469%0.69159%0.591SS**  trans-69.786.5168.1179.30000105.1T100 S104T100-V102 PolarHBondContact O-N 2.92Å; V102-S104 PolarHBondContact O-N 3.16Å; V102-S104 PolarHBondContact O-OG 3.35Å
103D49Very low64.1Low128 Ų12893.5 Ų93.568%0.68456%0.561SS**  trans-70.378.5172.5-158.412.2000107.5N101 N105N101-D103 PolarHBondContact O-N 3.33Å; D103-N105 PolarHBondContact O-N 3.42Å; D103-N105 PolarHBondContact OD1-ND2 3.47Å
104S51Low66.4Low96 Ų9688.4 Ų88.467%0.67153%0.532SS*.  trans-82.241.4178.740.10000109.6V102 P106V102-S104 PolarHBondContact O-N 3.16Å; V102-S104 PolarHBondContact O-OG 3.35Å; S104-P106 WeakPolarHBondContact O-CD 3.33Å
105N59.5Low68.5Low90 Ų9083.7 Ų83.748%0.48150%0.503SS..  trans-75.7109.5166.2-77.4-43.9000106.7D103 S107 K269D103-N105 PolarHBondContact O-N 3.42Å; D103-N105 PolarHBondContact OD1-ND2 3.47Å; N105-S107 PolarHBondContact O-N 3.26Å; N105-K269 PolarHBondContact OD1-NZ 3.46Å
106P64Low70.6Confident43 Ų4377.9 Ų77.928%0.27946%0.463SS..PPolyproline II helixtrans-54.9142.117323.3-33.1000108.9S104 M146 Y147S104-P106 WeakPolarHBondContact O-CD 3.33Å; P106-M146 HydrophobicContact CB-CE 3.81Å; P106-M146 HydrophobicContact CB-SD 4.26Å; P106-M146 HydrophobicContact CG-CE 3.73Å; P106-M146 HydrophobicContact CG-SD 4.49Å; P106-Y147 WeakPolarHBondContact CG-OH 3.41Å
107S81Confident72.4Confident80 Ų8077.3 Ų77.356%0.55945%0.45SS*.PPolyproline II helixtrans-53144.6174.648.30000110.4N105 Y141N105-S107 PolarHBondContact O-N 3.26Å; S107-Y141 WeakPolarHBondContact O-CE2 3.44Å
108L85Confident73.7Confident80 Ų8075.3 Ų75.342%0.41944%0.44SS..PPolyproline II helixtrans-73.7142.2177.2-69.9166.6000109.8L228 T271L108-L228 HydrophobicContact CD2-CD1 4.29Å; L108-T271 HydrophobicContact CD1-CG2 3.97Å; L108-T271 HydrophobicContact CD2-CG2 3.9Å
109P90.6Very high74.5Confident5 Ų572.5 Ų72.53%0.03243%0.433CS..PPolyproline II helixtrans-51.7145.3167-24.930.4000113C139 S140 Y141 Y147 M203 L228P109-C139 HydrophobicContact CB-CB 4.22Å; P109-S140 WeakPolarHBondContact CA-O 3.47Å; P109-Y141 HydrophobicContact CB-CD2 4.4Å; P109-Y141 HydrophobicContact CG-CD2 4.07Å; P109-Y141 HydrophobicContact CG-CG 4.21Å; P109-Y147 HydrophobicContact CG-CD1 4.39Å; P109-Y147 HydrophobicContact CG-CD2 3.49Å; P109-Y147 VanDerWaalsContact CG-CD2 3.49Å; P109-Y147 HydrophobicContact CG-CE2 3.79Å; P109-Y147 HydrophobicContact CG-CG 3.82Å; P109-M203 HydrophobicContact CB-CE 3.74Å; P109-M203 HydrophobicContact CG-CE 3.74Å; P109-L228 HydrophobicContact CB-CD1 4.2Å; P109-L228 HydrophobicContact CG-CD1 3.81Å; P109-L228 HydrophobicContact CG-CD2 4.37Å
110T92.6Very high75.5Confident104 Ų10474.9 Ų74.964%0.63843%0.429SS*.EExtended strand (participates in β ladder)trans-87115.6171.7-56.80000109.1C139 S140T110-C139 CarbonylContact O-C 3.59Å; T110-C139 WeakPolarHBondContact O-CA 2.9Å; T110-S140 PolarHBondContact N-O 3.33Å; T110-S140 PolarHBondContact O-N 3.42Å
111C94.6Very high76.8Confident21 Ų2174.4 Ų74.414%0.14243%0.431CS..EExtended strand (participates in β ladder)trans-104145.9-178.9-610000112.2L138 C139 I275C111-L138 CarbonylContact C-O 3.43Å; C111-L138 WeakPolarHBondContact CA-O 3.48Å; C111-C139 HydrophobicContact CB-CB 4.16Å; C111-C139 WeakPolarHBondContact CB-SG 3.46Å; C111-C139 WeakPolarHBondContact SG-CB 3.49Å; C111-C139 CovalentContact SG-SG 2.04Å; C111-C139 PolarHBondContact SG-SG 3.44Å; C111-I275 HydrophobicContact CB-CG2 4.06Å
112T94.9Very high78.6Confident57 Ų5774.4 Ų74.435%0.3543%0.426SS..EExtended strand (participates in β ladder)trans-135.2146.1-178.657.20000110.8W137 L138T112-W137 WeakPolarHBondContact O-CA 3.17Å; T112-L138 PolarHBondContact N-O 3.39Å; T112-L138 PolarHBondContact O-N 3.05Å; T112-L138 PolarHBondContact OG1-O 2.92Å
113Y95.2Very high80.7Confident13 Ų1371.9 Ų71.95%0.05141%0.411CS..EExtended strand (participates in β ladder)trans-120.1115.9172.4-170.6-176000109.2V115 H135 R136 W137 F222 C224 I275 A277Y113-V115 HydrophobicContact CE2-CG2 4.06Å; Y113-H135 HydrophobicContact CE2-CB 4Å; Y113-H135 AromaticContact CE2-ND1 3.66Å; Y113-H135 AromaticContact CZ-ND1 3.63Å; Y113-H135 PolarHBondContact OH-ND1 2.9Å; Y113-R136 WeakPolarHBondContact CA-O 3.22Å; Y113-W137 AromaticContact CD1-NE1 3.84Å; Y113-W137 HydrophobicContact CD2-CD2 4.24Å; Y113-W137 AromaticContact CD2-CE2 3.74Å; Y113-W137 HydrophobicContact CD2-CG 4.47Å; Y113-W137 HydrophobicContact CD2-CZ2 4.11Å; Y113-W137 AromaticContact CD2-NE1 3.69Å; Y113-W137 HydrophobicContact CE1-CZ2 4.1Å; Y113-W137 AromaticContact CE1-NE1 4Å; Y113-W137 HydrophobicContact CE2-CD2 4.29Å; Y113-W137 AromaticContact CE2-CE2 3.57Å; Y113-W137 HydrophobicContact CE2-CH2 4.06Å; Y113-W137 AromaticContact CE2-CZ2 3.44Å; Y113-W137 HydrophobicContact CE2-CZ2 3.44Å; Y113-W137 VanDerWaalsContact CE2-CZ2 3.44Å; Y113-W137 AromaticContact CE2-NE1 3.89Å; Y113-W137 AromaticContact CG-NE1 3.7Å; Y113-W137 AromaticContact CZ-CE2 3.84Å; Y113-W137 AromaticContact CZ-CZ2 3.43Å; Y113-W137 VanDerWaalsContact CZ-CZ2 3.43Å; Y113-F222 HydrophobicContact CE1-CB 3.61Å; Y113-C224 HydrophobicContact CD1-CB 4.49Å; Y113-C224 HydrophobicContact CE1-CB 4.45Å; Y113-C224 VanDerWaalsContact CE1-SG 3.59Å; Y113-I275 HydrophobicContact CG-CD1 4.32Å; Y113-A277 HydrophobicContact CD1-CB 3.77Å; Y113-A277 HydrophobicContact CD2-CB 4.22Å; Y113-A277 HydrophobicContact CE1-CB 3.98Å; Y113-A277 HydrophobicContact CE2-CB 4.36Å; Y113-A277 HydrophobicContact CG-CB 3.88Å
114Q94.8Very high82.7Confident61 Ų6166.1 Ų66.129%0.28538%0.381SS..EExtended strand (participates in β ladder)trans-121.3139.4178.7-66-179.1-25.400110.5T116 R136Q114-T116 HydrophobicContact CB-CG2 4.46Å; Q114-R136 PolarHBondContact N-O 3.4Å; Q114-R136 PolarHBondContact O-N 3.12Å
115V94.5Very high84.5Confident1 Ų165 Ų651%0.00637%0.373CS..EExtended strand (participates in β ladder)trans-112.8123.2168.4-174.50000107.3Y113 T123 V124 I133 Y134 A277 I280Y113-V115 HydrophobicContact CE2-CG2 4.06Å; V115-T123 CarbonylContact O-C 3.56Å; V115-T123 VanDerWaalsContact O-CA 3.29Å; V115-T123 WeakPolarHBondContact O-CA 3.36Å; V115-T123 WeakPolarHBondContact O-CG2 3.37Å; V115-V124 PolarHBondContact O-N 3.25Å; V115-I133 HydrophobicContact CG1-CB 3.97Å; V115-I133 HydrophobicContact CG1-CD1 3.75Å; V115-I133 HydrophobicContact CG1-CG1 4.38Å; V115-I133 HydrophobicContact CG1-CG2 4.45Å; V115-Y134 WeakPolarHBondContact CA-O 3.43Å; V115-A277 HydrophobicContact CG2-CB 3.94Å; V115-I280 HydrophobicContact CB-CD1 4.24Å; V115-I280 HydrophobicContact CG1-CD1 3.81Å
116T94.4Very high86Confident5 Ų566 Ų663%0.03137%0.374CS..EExtended strand (participates in β ladder)trans-125.6152.5-171.5580000111Q114 R120 E122 I133 Y134Q114-T116 HydrophobicContact CB-CG2 4.46Å; T116-R120 WeakPolarHBondContact CB-O 3.17Å; T116-R120 VanDerWaalsContact CG2-O 3.32Å; T116-R120 WeakPolarHBondContact CG2-O 3.48Å; T116-R120 PolarHBondContact OG1-O 3.35Å; T116-E122 WeakPolarHBondContact CA-O 3.24Å; T116-E122 WeakPolarHBondContact CB-O 3.48Å; T116-I133 CarbonylContact O-C 3.51Å; T116-I133 WeakPolarHBondContact O-CA 3.41Å; T116-Y134 PolarHBondContact N-O 2.85Å; T116-Y134 PolarHBondContact O-N 3.2Å; T116-Y134 PolarHBondContact OG1-O 2.83Å
117Q89.5Confident87.2Confident75 Ų7564 Ų6435%0.3536%0.362SS..EExtended strand (participates in β ladder)trans-90.4129.8177.6-155168.723.300110.1G119 R120 V124Q117-G119 VanDerWaalsContact C-N 3.25Å; Q117-G119 PolarHBondContact O-N 2.89Å; Q117-G119 VanDerWaalsContact O-N 3.15Å; Q117-R120 WeakPolarHBondContact O-CB 3.49Å; Q117-R120 WeakPolarHBondContact O-CG 3.39Å; Q117-R120 PolarHBondContact O-N 3.18Å; Q117-V124 HydrophobicContact CB-CG2 3.79Å; Q117-V124 VanDerWaalsContact N-CG2 3.26Å
118N77Confident87.7Confident110 Ų11063.6 Ų63.659%0.58835%0.351SS*.THydrogen-bonded Turntrans51.637.4173.3-59.2-33.8000114.6R120N118-R120 PolarHBondContact O-N 3.48Å; N118-R120 VanDerWaalsContact O-N 3.11Å
119G66.4Low88Confident61 Ų6161.8 Ų61.863%0.62934%0.343SS*.THydrogen-bonded Turntrans64.714179.600000115.1Q117Q117-G119 VanDerWaalsContact C-N 3.25Å; Q117-G119 PolarHBondContact O-N 2.89Å; Q117-G119 VanDerWaalsContact O-N 3.15Å
120R70.5Confident88Confident164 Ų16462.9 Ų62.962%0.61936%0.356SS*.  trans-75.9164.3171.8-60.1178.77593.8-2.4109.7T116 Q117 N118 E122T116-R120 WeakPolarHBondContact CB-O 3.17Å; T116-R120 VanDerWaalsContact CG2-O 3.32Å; T116-R120 WeakPolarHBondContact CG2-O 3.48Å; T116-R120 PolarHBondContact OG1-O 3.35Å; Q117-R120 WeakPolarHBondContact O-CB 3.49Å; Q117-R120 WeakPolarHBondContact O-CG 3.39Å; Q117-R120 PolarHBondContact O-N 3.18Å; N118-R120 PolarHBondContact O-N 3.48Å; N118-R120 VanDerWaalsContact O-N 3.11Å; R120-E122 PolarHBondContact O-N 3.06Å
121S76.8Confident87.9Confident111 Ų11160.2 Ų60.278%0.77634%0.338SS*.SBendtrans-81.71.9179.9-157.70000114.2
122E84.7Confident87.8Confident144 Ų14462.4 Ų62.467%0.67335%0.346SS*.SBendtrans-92.6129.6-177.5-72.3176.4-170.800111.1T116 R120T116-E122 WeakPolarHBondContact CA-O 3.24Å; T116-E122 WeakPolarHBondContact CB-O 3.48Å; R120-E122 PolarHBondContact O-N 3.06Å
123T89.5Confident87.8Confident61 Ų6159.8 Ų59.837%0.37433%0.33SS..BIsolated β-bridgetrans-69.1134.9178.1-47.60000111V115 S125V115-T123 CarbonylContact O-C 3.56Å; V115-T123 VanDerWaalsContact O-CA 3.29Å; V115-T123 WeakPolarHBondContact O-CA 3.36Å; V115-T123 WeakPolarHBondContact O-CG2 3.37Å; T123-S125 PolarHBondContact O-N 3.32Å
124V90.9Very high87.7Confident7 Ų761.6 Ų61.64%0.04234%0.337CS..PPolyproline II helixtrans-73.2120.8174.4-173.20000109.5V115 Q117 H126 I133 I211 I280V115-V124 PolarHBondContact O-N 3.25Å; Q117-V124 HydrophobicContact CB-CG2 3.79Å; Q117-V124 VanDerWaalsContact N-CG2 3.26Å; V124-H126 VanDerWaalsContact CG1-O 3.3Å; V124-H126 WeakPolarHBondContact CG1-O 3.39Å; V124-I133 HydrophobicContact CG2-CG2 4.01Å; V124-I211 HydrophobicContact CG1-CD1 4.19Å; V124-I280 HydrophobicContact CB-CD1 4.39Å; V124-I280 HydrophobicContact CG1-CD1 4.36Å; V124-I280 HydrophobicContact CG1-CG1 4.49Å; V124-I280 HydrophobicContact CG1-CG2 4.11Å
125S89Confident87.7Confident73 Ų7358.7 Ų58.751%0.5132%0.323SS..SBendtrans-101.9-23.9171.257.10000112.7T123 L281T123-S125 PolarHBondContact O-N 3.32Å; S125-L281 PolarHBondContact O-N 2.91Å
126H89.9Confident87.6Confident109 Ų10961.8 Ų61.851%0.50534%0.335SS..EExtended strand (participates in β ladder)trans-154.3156.4-179.864.1-72.2000110.7V124 L281V124-H126 VanDerWaalsContact CG1-O 3.3Å; V124-H126 WeakPolarHBondContact CG1-O 3.39Å; H126-L281 CarbonylContact C-O 3.53Å; H126-L281 WeakPolarHBondContact CA-O 3.24Å; H126-L281 HydrophobicContact CB-CB 4Å; H126-L281 HydrophobicContact CB-CD2 4.43Å; H126-L281 HydrophobicContact CB-CG 4.5Å
127G90.5Very high87.6Confident3 Ų361.7 Ų61.73%0.03133%0.334CS..EExtended strand (participates in β ladder)trans179.9174.2172.900000111.7L281 V282 L283G127-L281 PolarHBondContact N-O 2.84Å; G127-V282 WeakPolarHBondContact O-CA 3.46Å; G127-L283 PolarHBondContact O-N 3.22Å
128H90.9Very high87.9Confident70 Ų7060.4 Ų60.432%0.32433%0.329SS..EExtended strand (participates in β ladder)trans-93.6153.3178.4-57.486.2000110.7G130 D131 I211H128-G130 PolarHBondContact O-N 2.82Å; H128-D131 PolarHBondContact N-OD2 2.68Å; H128-D131 IonicContact ND1-OD2 3.45Å; H128-D131 WeakPolarHBondContact O-CB 3.48Å; H128-D131 PolarHBondContact O-N 3.01Å; H128-I211 WeakPolarHBondContact O-CB 3.43Å
129V91.6Very high88.7Confident42 Ų4255.5 Ų55.526%0.25530%0.303SS..THydrogen-bonded Turntrans-53.6128.3170.7178.90000110.1I211 K213 V282 L283 L285V129-I211 WeakPolarHBondContact CA-O 3.17Å; V129-K213 HydrophobicContact CG2-CD 4.03Å; V129-K213 HydrophobicContact CG2-CG 3.85Å; V129-V282 HydrophobicContact CG2-CG1 3.5Å; V129-V282 VanDerWaalsContact CG2-CG1 3.5Å; V129-L283 PolarHBondContact N-O 2.83Å; V129-L285 HydrophobicContact CB-CD1 4.06Å; V129-L285 HydrophobicContact CB-CG 4.18Å; V129-L285 HydrophobicContact CG1-CD1 4.06Å
130G90Very high90Very high29 Ų2956.4 Ų56.430%0.29930%0.3SS..THydrogen-bonded Turntrans92.5-8.5-178.500000115.5H128 Q132 I211H128-G130 PolarHBondContact O-N 2.82Å; G130-Q132 PolarHBondContact O-N 3.03Å; G130-Q132 PolarHBondContact O-NE2 3.49Å; G130-I211 PolarHBondContact N-O 2.88Å
131D91.3Very high90.9Very high48 Ų4850.4 Ų50.426%0.25728%0.278SS..  trans-60.4136.7171.9-76.1-14.2000110H128 Q210 I211H128-D131 PolarHBondContact N-OD2 2.68Å; H128-D131 IonicContact ND1-OD2 3.45Å; H128-D131 WeakPolarHBondContact O-CB 3.48Å; H128-D131 PolarHBondContact O-N 3.01Å; D131-Q210 CarbonylContact O-C 3.54Å; D131-Q210 VanDerWaalsContact O-CA 3.29Å; D131-Q210 WeakPolarHBondContact O-CA 2.81Å; D131-I211 HydrophobicContact CB-CD1 3.91Å; D131-I211 HydrophobicContact CB-CG1 4.22Å; D131-I211 PolarHBondContact O-N 2.79Å
132Q92.1Very high91.5Very high67 Ų6751 Ų5131%0.31328%0.279SS..EExtended strand (participates in β ladder)trans-74.3131.7179.4-56.5-55.9-66.100110.6G130 Q210G130-Q132 PolarHBondContact O-N 3.03Å; G130-Q132 PolarHBondContact O-NE2 3.49Å; Q132-Q210 VanDerWaalsContact NE2-CD 3.29Å
133I93.7Very high91.5Very high2 Ų249.2 Ų49.21%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-134.7160.617954.2164.2000110.4V115 T116 V124 S209 I211 I280V115-I133 HydrophobicContact CG1-CB 3.97Å; V115-I133 HydrophobicContact CG1-CD1 3.75Å; V115-I133 HydrophobicContact CG1-CG1 4.38Å; V115-I133 HydrophobicContact CG1-CG2 4.45Å; T116-I133 CarbonylContact O-C 3.51Å; T116-I133 WeakPolarHBondContact O-CA 3.41Å; V124-I133 HydrophobicContact CG2-CG2 4.01Å; I133-S209 WeakPolarHBondContact CG1-OG 3.12Å; I133-S209 PolarHBondContact N-O 3.49Å; I133-S209 PolarHBondContact O-N 3Å; I133-S209 VanDerWaalsContact O-O 3.1Å; I133-I211 HydrophobicContact CD1-CG1 4.01Å; I133-I211 HydrophobicContact CG1-CG1 4.25Å; I133-I211 HydrophobicContact CG2-CD1 3.91Å; I133-I211 HydrophobicContact CG2-CG1 3.56Å; I133-I280 HydrophobicContact CD1-CD1 4.5Å
134Y93.6Very high91.1Very high50 Ų5051.4 Ų51.420%0.19629%0.29CS..EExtended strand (participates in β ladder)trans-128.4120179.4-175-96.7000109.9V115 T116 R136 G206 V207 E208V115-Y134 WeakPolarHBondContact CA-O 3.43Å; T116-Y134 PolarHBondContact N-O 2.85Å; T116-Y134 PolarHBondContact O-N 3.2Å; T116-Y134 PolarHBondContact OG1-O 2.83Å; Y134-R136 HydrophobicContact CD1-CB 4.17Å; Y134-R136 HydrophobicContact CE1-CB 3.93Å; Y134-R136 HydrophobicContact CE1-CG 4.32Å; Y134-G206 WeakPolarHBondContact OH-CA 3.23Å; Y134-V207 WeakPolarHBondContact CA-O 3.18Å; Y134-V207 WeakPolarHBondContact CD2-O 3.4Å; Y134-E208 HydrophobicContact CD2-CB 4.42Å
135H94Very high90.5Very high0 Ų055.2 Ų55.20%031%0.31CS..EExtended strand (participates in β ladder)trans-88.4131.8174.6-64.4-104.6000109.2Y113 W137 G206 V207 S209 F222Y113-H135 HydrophobicContact CE2-CB 4Å; Y113-H135 AromaticContact CE2-ND1 3.66Å; Y113-H135 AromaticContact CZ-ND1 3.63Å; Y113-H135 PolarHBondContact OH-ND1 2.9Å; H135-W137 HydrophobicContact CB-CH2 3.49Å; H135-W137 VanDerWaalsContact CB-CH2 3.49Å; H135-W137 HydrophobicContact CB-CZ2 4.32Å; H135-W137 HydrophobicContact CB-CZ3 3.62Å; H135-G206 CarbonylContact O-C 3.49Å; H135-G206 WeakPolarHBondContact O-CA 3.47Å; H135-V207 HydrophobicContact CB-CG1 3.82Å; H135-V207 PolarHBondContact N-O 3.34Å; H135-V207 PolarHBondContact O-N 3.07Å; H135-S209 PolarHBondContact CD2-OG 2.88Å; H135-S209 PolarHBondContact NE2-OG 3.42Å; H135-F222 AromaticContact CE1-CE1 3.92Å; H135-F222 AromaticContact CE1-CZ 3.93Å
136R94.2Very high90.3Very high67 Ų6754.1 Ų54.125%0.25330%0.298SS..EExtended strand (participates in β ladder)trans-132.7125.3-177.9-171.8175.4-178.5-116.8-0.4110.8Y113 Q114 Y134 E204Y113-R136 WeakPolarHBondContact CA-O 3.22Å; Q114-R136 PolarHBondContact N-O 3.4Å; Q114-R136 PolarHBondContact O-N 3.12Å; Y134-R136 HydrophobicContact CD1-CB 4.17Å; Y134-R136 HydrophobicContact CE1-CB 3.93Å; Y134-R136 HydrophobicContact CE1-CG 4.32Å; R136-E204 IonicContact CZ-OE1 2.86Å; R136-E204 IonicContact NE-OE1 3.51Å; R136-E204 PolarHBondContact NE-OE1 2.87Å; R136-E204 IonicContact NH2-OE1 2.85Å; R136-E204 PolarHBondContact NH2-OE1 2.82Å; R136-E204 IonicContact NH2-OE2 3.61Å; R136-E204 PolarHBondContact NH2-OE2 3.38Å
137W94.2Very high90.1Very high2 Ų249.6 Ų49.61%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-107.4129.2169.3-63.4-101000108.2T112 Y113 H135 M149 V151 L197 E204 A205 V207 C224 I226 I275T112-W137 WeakPolarHBondContact O-CA 3.17Å; Y113-W137 AromaticContact CD1-NE1 3.84Å; Y113-W137 HydrophobicContact CD2-CD2 4.24Å; Y113-W137 AromaticContact CD2-CE2 3.74Å; Y113-W137 HydrophobicContact CD2-CG 4.47Å; Y113-W137 HydrophobicContact CD2-CZ2 4.11Å; Y113-W137 AromaticContact CD2-NE1 3.69Å; Y113-W137 HydrophobicContact CE1-CZ2 4.1Å; Y113-W137 AromaticContact CE1-NE1 4Å; Y113-W137 HydrophobicContact CE2-CD2 4.29Å; Y113-W137 AromaticContact CE2-CE2 3.57Å; Y113-W137 HydrophobicContact CE2-CH2 4.06Å; Y113-W137 AromaticContact CE2-CZ2 3.44Å; Y113-W137 HydrophobicContact CE2-CZ2 3.44Å; Y113-W137 VanDerWaalsContact CE2-CZ2 3.44Å; Y113-W137 AromaticContact CE2-NE1 3.89Å; Y113-W137 AromaticContact CG-NE1 3.7Å; Y113-W137 AromaticContact CZ-CE2 3.84Å; Y113-W137 AromaticContact CZ-CZ2 3.43Å; Y113-W137 VanDerWaalsContact CZ-CZ2 3.43Å; H135-W137 HydrophobicContact CB-CH2 3.49Å; H135-W137 VanDerWaalsContact CB-CH2 3.49Å; H135-W137 HydrophobicContact CB-CZ2 4.32Å; H135-W137 HydrophobicContact CB-CZ3 3.62Å; W137-M149 HydrophobicContact CB-CE 3.83Å; W137-M149 WeakPolarHBondContact O-CE 3.16Å; W137-V151 HydrophobicContact CB-CG2 3.85Å; W137-V151 HydrophobicContact CD2-CG1 4.05Å; W137-V151 HydrophobicContact CD2-CG2 3.91Å; W137-V151 HydrophobicContact CE3-CG2 4.38Å; W137-V151 HydrophobicContact CG-CG1 4.24Å; W137-V151 HydrophobicContact CG-CG2 3.62Å; W137-V151 HydrophobicContact CZ2-CG1 4.13Å; W137-L197 HydrophobicContact CD2-CD2 4.48Å; W137-L197 HydrophobicContact CE3-CD2 3.88Å; W137-L197 HydrophobicContact CH2-CD2 3.64Å; W137-L197 HydrophobicContact CH2-CG 4.24Å; W137-L197 HydrophobicContact CZ2-CD2 4.27Å; W137-L197 HydrophobicContact CZ3-CD2 3.41Å; W137-L197 VanDerWaalsContact CZ3-CD2 3.41Å; W137-L197 HydrophobicContact CZ3-CG 3.94Å; W137-E204 WeakPolarHBondContact O-CA 3.04Å; W137-A205 HydrophobicContact CB-CB 4.49Å; W137-A205 HydrophobicContact CE3-CB 4.49Å; W137-A205 PolarHBondContact N-O 2.92Å; W137-A205 PolarHBondContact O-N 3.45Å; W137-V207 HydrophobicContact CH2-CG1 4.02Å; W137-V207 HydrophobicContact CZ3-CG1 3.82Å; W137-C224 PolarHBondContact NE1-SG 3.13Å; W137-C224 VanDerWaalsContact NE1-SG 3.44Å; W137-I226 HydrophobicContact CB-CD1 4.4Å; W137-I226 HydrophobicContact CG-CD1 4.29Å; W137-I275 HydrophobicContact CG-CD1 4.49Å
138L94.5Very high90Very high49 Ų4949.6 Ų49.626%0.25728%0.276SS..EExtended strand (participates in β ladder)trans-140.4127.5179178.371.7000109.7C111 T112 E204C111-L138 CarbonylContact C-O 3.43Å; C111-L138 WeakPolarHBondContact CA-O 3.48Å; T112-L138 PolarHBondContact N-O 3.39Å; T112-L138 PolarHBondContact O-N 3.05Å; T112-L138 PolarHBondContact OG1-O 2.92Å; L138-E204 HydrophobicContact CD1-CB 4.01Å; L138-E204 HydrophobicContact CD1-CG 4.15Å
139C94.2Very high89.9Confident6 Ų646.3 Ų46.34%0.04126%0.26CS..EExtended strand (participates in β ladder)trans-111.4130.5169.3-62.10000110.3P109 T110 C111 M149 M203P109-C139 HydrophobicContact CB-CB 4.22Å; T110-C139 CarbonylContact O-C 3.59Å; T110-C139 WeakPolarHBondContact O-CA 2.9Å; C111-C139 HydrophobicContact CB-CB 4.16Å; C111-C139 WeakPolarHBondContact CB-SG 3.46Å; C111-C139 WeakPolarHBondContact SG-CB 3.49Å; C111-C139 CovalentContact SG-SG 2.04Å; C111-C139 PolarHBondContact SG-SG 3.44Å; C139-M149 HydrophobicContact CB-SD 4.15Å; C139-M203 HydrophobicContact CB-CB 4.43Å; C139-M203 HydrophobicContact CB-CE 3.35Å; C139-M203 HydrophobicContact CB-SD 4.27Å; C139-M203 PolarHBondContact N-O 2.83Å; C139-M203 WeakPolarHBondContact O-CB 3.39Å
140S93.5Very high89.7Confident81 Ų8144.7 Ų44.757%0.56625%0.25SS*.EExtended strand (participates in β ladder)trans-111.4135.2178.1-173.60000110.5P109 T110P109-S140 WeakPolarHBondContact CA-O 3.47Å; T110-S140 PolarHBondContact N-O 3.33Å; T110-S140 PolarHBondContact O-N 3.42Å
141Y90.8Very high89.7Confident38 Ų3843.3 Ų43.315%0.14924%0.236CC..  trans-140.4141.2175.9-168.4-115.9000110S107 P109 M143 M146 Y147S107-Y141 WeakPolarHBondContact O-CE2 3.44Å; P109-Y141 HydrophobicContact CB-CD2 4.4Å; P109-Y141 HydrophobicContact CG-CD2 4.07Å; P109-Y141 HydrophobicContact CG-CG 4.21Å; Y141-M143 HydrophobicContact CD1-CB 3.97Å; Y141-M143 VanDerWaalsContact CD1-O 3.29Å; Y141-M143 WeakPolarHBondContact CD1-O 3.47Å; Y141-M143 HydrophobicContact CE1-CB 3.81Å; Y141-M143 HydrophobicContact CE1-CE 3.64Å; Y141-M143 HydrophobicContact CE1-CG 4.22Å; Y141-M143 PolarHBondContact O-N 3.24Å; Y141-M146 HydrophobicContact CD1-CB 4.23Å; Y141-M146 HydrophobicContact CD1-SD 4.26Å; Y141-M146 HydrophobicContact CE1-CB 4.26Å; Y141-M146 HydrophobicContact CE1-SD 3.45Å; Y141-M146 WeakPolarHBondContact CE1-SD 3.38Å; Y141-Y147 HydrophobicContact CD1-CD2 4.03Å; Y141-Y147 HydrophobicContact CD1-CE2 4.1Å; Y141-Y147 HydrophobicContact CD2-CE2 4.38Å; Y141-Y147 HydrophobicContact CE1-CD2 4.38Å; Y141-Y147 HydrophobicContact CE1-CE2 4.02Å; Y141-Y147 HydrophobicContact CE2-CE2 4.32Å; Y141-Y147 HydrophobicContact CG-CD2 4.21Å; Y141-Y147 HydrophobicContact CG-CE2 4.3Å
142P88.3Confident89.6Confident123 Ų12341 Ų4180%0.79922%0.224SC*.SBendtrans-59.9-30.5-176.6-26.836.1000114.4
143M84Confident89.5Confident106 Ų10639 Ų3952%0.52222%0.217SC..SBendtrans-99.6124.4176.1-58.5-172.1-69.700110.3Y141 M146Y141-M143 HydrophobicContact CD1-CB 3.97Å; Y141-M143 VanDerWaalsContact CD1-O 3.29Å; Y141-M143 WeakPolarHBondContact CD1-O 3.47Å; Y141-M143 HydrophobicContact CE1-CB 3.81Å; Y141-M143 HydrophobicContact CE1-CE 3.64Å; Y141-M143 HydrophobicContact CE1-CG 4.22Å; Y141-M143 PolarHBondContact O-N 3.24Å; M143-M146 HydrophobicContact CE-CE 4.23Å; M143-M146 HydrophobicContact CE-SD 3.83Å
144S81.4Confident89.4Confident108 Ų10839 Ų3976%0.75522%0.217SC*.THydrogen-bonded Turntrans-67.6155.3174.1560000111.4M146S144-M146 PolarHBondContact O-N 2.99Å; S144-M146 VanDerWaalsContact O-N 3.1Å
145D79.9Confident89.4Confident87 Ų8737.6 Ų37.647%0.46521%0.214SC..THydrogen-bonded Turntrans58.820.9171.8-74.1-32.6000116.9K231D145-K231 VanDerWaalsContact C-CD 3.47Å; D145-K231 HydrophobicContact CB-CD 4.46Å; D145-K231 WeakPolarHBondContact O-CD 3.4Å; D145-K231 IonicContact OD1-NZ 2.74Å; D145-K231 PolarHBondContact OD1-NZ 2.85Å
146M83.2Confident89.3Confident50 Ų5037.6 Ų37.625%0.24621%0.214CC..SBendtrans-88.9-34.7174-159.4-163-166.100113.5P106 Y141 M143 S144 I230 K231P106-M146 HydrophobicContact CB-CE 3.81Å; P106-M146 HydrophobicContact CB-SD 4.26Å; P106-M146 HydrophobicContact CG-CE 3.73Å; P106-M146 HydrophobicContact CG-SD 4.49Å; Y141-M146 HydrophobicContact CD1-CB 4.23Å; Y141-M146 HydrophobicContact CD1-SD 4.26Å; Y141-M146 HydrophobicContact CE1-CB 4.26Å; Y141-M146 HydrophobicContact CE1-SD 3.45Å; Y141-M146 WeakPolarHBondContact CE1-SD 3.38Å; M143-M146 HydrophobicContact CE-CE 4.23Å; M143-M146 HydrophobicContact CE-SD 3.83Å; S144-M146 PolarHBondContact O-N 2.99Å; S144-M146 VanDerWaalsContact O-N 3.1Å; M146-I230 WeakPolarHBondContact O-CA 3.46Å; M146-K231 WeakPolarHBondContact O-CB 3.45Å; M146-K231 PolarHBondContact O-N 3.05Å
147Y86.6Confident89.3Confident13 Ų1335 Ų355%0.05121%0.205CC..EExtended strand (participates in β ladder)trans-122.8158.1-174.6-70.5-82.9000112.1P106 P109 Y141 L228 L229 I230 K231P106-Y147 WeakPolarHBondContact CG-OH 3.41Å; P109-Y147 HydrophobicContact CG-CD1 4.39Å; P109-Y147 HydrophobicContact CG-CD2 3.49Å; P109-Y147 VanDerWaalsContact CG-CD2 3.49Å; P109-Y147 HydrophobicContact CG-CE2 3.79Å; P109-Y147 HydrophobicContact CG-CG 3.82Å; Y141-Y147 HydrophobicContact CD1-CD2 4.03Å; Y141-Y147 HydrophobicContact CD1-CE2 4.1Å; Y141-Y147 HydrophobicContact CD2-CE2 4.38Å; Y141-Y147 HydrophobicContact CE1-CD2 4.38Å; Y141-Y147 HydrophobicContact CE1-CE2 4.02Å; Y141-Y147 HydrophobicContact CE2-CE2 4.32Å; Y141-Y147 HydrophobicContact CG-CD2 4.21Å; Y141-Y147 HydrophobicContact CG-CE2 4.3Å; Y147-L228 HydrophobicContact CD1-CB 4.33Å; Y147-L229 CarbonylContact C-O 3.48Å; Y147-L229 VanDerWaalsContact CA-O 3.23Å; Y147-L229 WeakPolarHBondContact CA-O 3.42Å; Y147-I230 HydrophobicContact CD1-CG1 3.98Å; Y147-I230 HydrophobicContact CE1-CD1 4.36Å; Y147-I230 HydrophobicContact CE1-CG1 3.44Å; Y147-I230 VanDerWaalsContact CE1-CG1 3.44Å; Y147-K231 VanDerWaalsContact O-CE 3.29Å; Y147-K231 WeakPolarHBondContact O-CE 3.42Å
148C87.5Confident89.2Confident3 Ų335.6 Ų35.62%0.0221%0.208CC..EExtended strand (participates in β ladder)trans-123.9158.2152.3-41.20000110.2D202 L228 L229 K231 C241 F243C148-D202 CarbonylContact C-O 3.54Å; C148-D202 VanDerWaalsContact CA-O 3.23Å; C148-D202 WeakPolarHBondContact CA-O 3.46Å; C148-D202 HydrophobicContact CB-CB 4.08Å; C148-L228 WeakPolarHBondContact O-CA 3.11Å; C148-L229 PolarHBondContact N-O 3.28Å; C148-L229 PolarHBondContact O-N 2.62Å; C148-K231 WeakPolarHBondContact SG-CE 3.34Å; C148-K231 VanDerWaalsContact SG-CG 3.54Å; C148-C241 HydrophobicContact CB-CB 3.56Å; C148-C241 WeakPolarHBondContact CB-SG 3.15Å; C148-C241 WeakPolarHBondContact SG-CB 3.36Å; C148-C241 CovalentContact SG-SG 2Å; C148-C241 PolarHBondContact SG-SG 2.78Å; C148-F243 HydrophobicContact CB-CZ 4.2Å
149M89.3Confident88.8Confident1 Ų134.3 Ų34.31%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-116.1150.1177.880.6176.4-166.500111.9W137 C139 V151 Y199 D202 M203 A205 I226 R227 L228W137-M149 HydrophobicContact CB-CE 3.83Å; W137-M149 WeakPolarHBondContact O-CE 3.16Å; C139-M149 HydrophobicContact CB-SD 4.15Å; M149-V151 HydrophobicContact CE-CG2 4.37Å; M149-Y199 HydrophobicContact CE-CE1 4.27Å; M149-Y199 HydrophobicContact CG-CE1 4.21Å; M149-Y199 VanDerWaalsContact O-CE1 3.23Å; M149-Y199 WeakPolarHBondContact O-CE1 3.31Å; M149-D202 PolarHBondContact N-O 2.85Å; M149-M203 HydrophobicContact CB-SD 4.18Å; M149-M203 VanDerWaalsContact SD-O 3.35Å; M149-A205 HydrophobicContact CE-CB 3.62Å; M149-I226 HydrophobicContact CB-CG2 3.69Å; M149-I226 HydrophobicContact CG-CG2 4.49Å; M149-R227 CarbonylContact C-O 3.55Å; M149-R227 WeakPolarHBondContact CA-O 3.23Å; M149-L228 HydrophobicContact CB-CD2 3.89Å
150L87.7Confident88.3Confident8 Ų841.1 Ų41.14%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-127.3126167.5175.275000109.1A173 V186 Y199 I226 R227 F243L150-A173 HydrophobicContact CD1-CB 4.29Å; L150-V186 HydrophobicContact CD1-CG2 3.49Å; L150-V186 VanDerWaalsContact CD1-CG2 3.49Å; L150-Y199 VanDerWaalsContact CA-OH 3.24Å; L150-Y199 WeakPolarHBondContact CA-OH 3.39Å; L150-I226 CarbonylContact O-C 3.57Å; L150-I226 WeakPolarHBondContact O-CA 3.39Å; L150-R227 HydrophobicContact CB-CB 4.25Å; L150-R227 PolarHBondContact N-O 3.17Å; L150-R227 PolarHBondContact O-N 2.99Å; L150-F243 HydrophobicContact CB-CD1 3.63Å; L150-F243 HydrophobicContact CB-CD2 4.47Å; L150-F243 HydrophobicContact CB-CE1 3.26Å; L150-F243 HydrophobicContact CB-CE2 4.18Å; L150-F243 HydrophobicContact CB-CG 4.23Å; L150-F243 HydrophobicContact CB-CZ 3.59Å; L150-F243 HydrophobicContact CD2-CB 4.26Å; L150-F243 HydrophobicContact CD2-CD1 3.66Å; L150-F243 HydrophobicContact CD2-CE1 4.22Å; L150-F243 HydrophobicContact CD2-CG 3.99Å; L150-F243 HydrophobicContact CG-CD1 4.21Å; L150-F243 HydrophobicContact CG-CE1 4.31Å
151V90.5Very high87.8Confident0 Ų040.5 Ų40.50%025%0.245CC..EExtended strand (participates in β ladder)trans-83.9125.9174.1-175.50000107.3W137 M149 C154 I167 L197 Y199 A205 C224 I226W137-V151 HydrophobicContact CB-CG2 3.85Å; W137-V151 HydrophobicContact CD2-CG1 4.05Å; W137-V151 HydrophobicContact CD2-CG2 3.91Å; W137-V151 HydrophobicContact CE3-CG2 4.38Å; W137-V151 HydrophobicContact CG-CG1 4.24Å; W137-V151 HydrophobicContact CG-CG2 3.62Å; W137-V151 HydrophobicContact CZ2-CG1 4.13Å; M149-V151 HydrophobicContact CE-CG2 4.37Å; V151-C154 VanDerWaalsContact CG1-SG 3.59Å; V151-I167 HydrophobicContact CG1-CD1 4.3Å; V151-L197 HydrophobicContact CB-CD2 3.94Å; V151-L197 HydrophobicContact CG1-CD2 3.83Å; V151-L197 HydrophobicContact CG2-CD2 4.26Å; V151-Y199 PolarHBondContact N-OH 3.25Å; V151-A205 HydrophobicContact CG2-CB 4.07Å; V151-C224 HydrophobicContact CG1-CB 4.32Å; V151-I226 HydrophobicContact CB-CD1 4.12Å; V151-I226 HydrophobicContact CG1-CD1 4.27Å; V151-I226 HydrophobicContact CG2-CD1 3.62Å
152H88.2Confident87.8Confident0 Ų044 Ų440%026%0.263CS..EExtended strand (participates in β ladder)trans-149.3174.2177.267.992.9000110.8C154 Q225 D272H152-C154 VanDerWaalsContact C-N 3.28Å; H152-C154 PolarHBondContact O-N 2.92Å; H152-Q225 VanDerWaalsContact CE1-CB 3.42Å; H152-Q225 WeakPolarHBondContact CE1-CB 2.96Å; H152-Q225 PolarHBondContact CE1-OE1 2.87Å; H152-Q225 PolarHBondContact N-O 2.91Å; H152-Q225 PolarHBondContact O-N 2.92Å; H152-D272 IonicContact CE1-OD2 3.42Å; H152-D272 PolarHBondContact CE1-OD2 3.36Å; H152-D272 IonicContact NE2-OD1 3.81Å; H152-D272 IonicContact NE2-OD2 2.67Å
153S89.5Confident87.9Confident24 Ų2442.9 Ų42.917%0.16825%0.25CC..EExtended strand (participates in β ladder)trans50.943.2175.9-51.70000113.7I167 D168 E169 Q225S153-I167 CarbonylContact C-O 3.49Å; S153-I167 VanDerWaalsContact CA-O 3.24Å; S153-I167 WeakPolarHBondContact CA-O 3.46Å; S153-I167 PolarHBondContact N-O 3.11Å; S153-D168 PolarHBondContact N-O 3.4Å; S153-E169 WeakPolarHBondContact OG-CA 3.48Å; S153-Q225 VanDerWaalsContact CB-OE1 3.3Å; S153-Q225 PolarHBondContact OG-OE1 2.96Å; S153-Q225 VanDerWaalsContact OG-OE1 3.1Å
154C92.6Very high88.2Confident2 Ų241.1 Ų41.11%0.01424%0.239CC..EExtended strand (participates in β ladder)trans-81.1138.1177.8-67.70000111.7V151 H152 I166 I167 T223 C224V151-C154 VanDerWaalsContact CG1-SG 3.59Å; H152-C154 VanDerWaalsContact C-N 3.28Å; H152-C154 PolarHBondContact O-N 2.92Å; C154-I166 HydrophobicContact CB-CB 4.33Å; C154-I166 PolarHBondContact O-N 3Å; C154-I167 HydrophobicContact CB-CB 3.73Å; C154-I167 HydrophobicContact CB-CD1 3.93Å; C154-I167 HydrophobicContact CB-CG1 3.78Å; C154-I167 PolarHBondContact N-O 3.06Å; C154-I167 PolarHBondContact O-N 3.15Å; C154-I167 VanDerWaalsContact O-N 3.1Å; C154-I167 VanDerWaalsContact SG-CD1 3.54Å; C154-T223 CarbonylContact C-O 3.5Å; C154-T223 VanDerWaalsContact CA-O 3.24Å; C154-T223 WeakPolarHBondContact CA-O 3.28Å; C154-C224 HydrophobicContact CB-CB 4.14Å; C154-C224 WeakPolarHBondContact CB-SG 3.49Å; C154-C224 WeakPolarHBondContact SG-CB 3.46Å; C154-C224 CovalentContact SG-SG 2.03Å; C154-C224 PolarHBondContact SG-SG 2.97Å
155T92.6Very high88.6Confident21 Ų2138.4 Ų38.413%0.12922%0.218CC..EExtended strand (participates in β ladder)trans-134.9146.5-178.754.80000110.6L163 F164 F222 T223T155-L163 HydrophobicContact CG2-CD1 3.93Å; T155-L163 HydrophobicContact CG2-CD2 3.97Å; T155-L163 HydrophobicContact CG2-CG 4.13Å; T155-F164 CarbonylContact C-O 3.54Å; T155-F164 VanDerWaalsContact CA-O 3.25Å; T155-F164 WeakPolarHBondContact CA-O 3.2Å; T155-F222 WeakPolarHBondContact O-CA 2.99Å; T155-T223 PolarHBondContact N-O 3.36Å; T155-T223 PolarHBondContact O-N 2.77Å; T155-T223 PolarHBondContact OG1-O 3.13Å
156A93.8Very high89.1Confident0 Ų034.3 Ų34.30%020%0.196CC..EExtended strand (participates in β ladder)trans-109137.1161.500000108.9L163 F164 I166 F212 F214 V220 Y221 F222A156-L163 CarbonylContact O-C 3.55Å; A156-L163 WeakPolarHBondContact O-CA 3.38Å; A156-F164 PolarHBondContact N-O 2.89Å; A156-F164 PolarHBondContact O-N 2.81Å; A156-I166 HydrophobicContact CB-CD1 3.82Å; A156-I166 HydrophobicContact CB-CG1 4.31Å; A156-F212 HydrophobicContact CB-CE2 4Å; A156-F212 HydrophobicContact CB-CZ 3.86Å; A156-F214 HydrophobicContact CB-CE2 4.36Å; A156-F214 HydrophobicContact CB-CZ 4.45Å; A156-V220 HydrophobicContact CB-CG1 3.95Å; A156-Y221 CarbonylContact C-O 3.56Å; A156-Y221 WeakPolarHBondContact CA-O 3.41Å; A156-F222 HydrophobicContact CB-CD1 4.1Å; A156-F222 HydrophobicContact CB-CE1 4.04Å
157D93.4Very high89.2Confident14 Ų1432 Ų328%0.07519%0.185CC..EExtended strand (participates in β ladder)trans-133.1160.9171.870100.8000112.1R43 G159 E162 L163 Y221R43-D157 IonicContact CZ-OD1 3.73Å; R43-D157 IonicContact CZ-OD2 3.73Å; R43-D157 IonicContact NE-OD1 3.71Å; R43-D157 PolarHBondContact NE-OD1 3.34Å; R43-D157 IonicContact NE-OD2 2.64Å; R43-D157 VanDerWaalsContact NH2-CG 3.3Å; R43-D157 IonicContact NH2-OD1 3.63Å; R43-D157 PolarHBondContact NH2-OD1 3.47Å; R43-D157 IonicContact NH2-OD2 3.45Å; R43-D157 PolarHBondContact NH2-OD2 3.36Å; D157-G159 WeakPolarHBondContact OD1-CA 3.42Å; D157-G159 PolarHBondContact OD1-N 3.23Å; D157-E162 WeakPolarHBondContact CA-O 3.36Å; D157-E162 WeakPolarHBondContact CB-O 3.49Å; D157-L163 HydrophobicContact CB-CB 4.29Å; D157-L163 HydrophobicContact CB-CD1 4.46Å; D157-Y221 PolarHBondContact N-O 2.81Å; D157-Y221 WeakPolarHBondContact O-CD2 3.43Å; D157-Y221 PolarHBondContact O-N 3.41Å; D157-Y221 WeakPolarHBondContact OD2-CB 3.43Å
158D91.4Very high88.9Confident13 Ų1334.2 Ų34.27%0.0720%0.197CC..  trans-88.7-4.8179.571.7-16.9000114E160 G161 E162 F214 K217D158-E160 VanDerWaalsContact C-N 3.26Å; D158-E160 PolarHBondContact O-N 2.95Å; D158-E160 WeakPolarHBondContact OD1-CA 3.49Å; D158-E160 PolarHBondContact OD1-N 3.4Å; D158-G161 PolarHBondContact OD1-N 3.06Å; D158-E162 PolarHBondContact N-O 2.92Å; D158-E162 VanDerWaalsContact N-O 3.15Å; D158-E162 PolarHBondContact OD1-N 3.33Å; D158-F214 HydrophobicContact CB-CB 4.24Å; D158-F214 HydrophobicContact CB-CD2 3.81Å; D158-F214 HydrophobicContact CB-CE2 4.31Å; D158-F214 HydrophobicContact CB-CG 3.97Å; D158-K217 HydrophobicContact CB-CB 4.16Å; D158-K217 HydrophobicContact CB-CD 4.3Å; D158-K217 HydrophobicContact CB-CG 3.77Å; D158-K217 VanDerWaalsContact OD2-CE 3.22Å; D158-K217 WeakPolarHBondContact OD2-CE 3.24Å
159G85.8Confident88.4Confident23 Ų2340.1 Ų40.124%0.23723%0.225CC..SBendtrans79.9-5.7-174.100000115.5D157D157-G159 WeakPolarHBondContact OD1-CA 3.42Å; D157-G159 PolarHBondContact OD1-N 3.23Å
160E84Confident87.3Confident148 Ų14844.4 Ų44.469%0.69225%0.248SC*.SBendtrans-1130.3178.9-66.7-175-16700113.1D158 K217D158-E160 VanDerWaalsContact C-N 3.26Å; D158-E160 PolarHBondContact O-N 2.95Å; D158-E160 WeakPolarHBondContact OD1-CA 3.49Å; D158-E160 PolarHBondContact OD1-N 3.4Å; E160-K217 IonicContact OE1-NZ 3.84Å; E160-K217 IonicContact OE2-NZ 3.38Å; E160-K217 PolarHBondContact OE2-NZ 3.1Å
161G83.1Confident85.7Confident69 Ų6944.1 Ų44.171%0.71125%0.247SC*.SBendtrans121-6167.200000114.2D158D158-G161 PolarHBondContact OD1-N 3.06Å
162E90.3Very high84Confident111 Ų11145.9 Ų45.952%0.51926%0.255SS..  trans-78.1126.5170.2-164.7176.9166.600109.3D157 D158 F214D157-E162 WeakPolarHBondContact CA-O 3.36Å; D157-E162 WeakPolarHBondContact CB-O 3.49Å; D158-E162 PolarHBondContact N-O 2.92Å; D158-E162 VanDerWaalsContact N-O 3.15Å; D158-E162 PolarHBondContact OD1-N 3.33Å; E162-F214 HydrophobicContact CB-CD1 4.4Å; E162-F214 HydrophobicContact CB-CE1 4.35Å; E162-F214 HydrophobicContact CG-CD1 3.99Å; E162-F214 HydrophobicContact CG-CE1 3.84Å
163L90.8Very high82.1Confident100 Ų10047.2 Ų47.252%0.52427%0.266SS..EExtended strand (participates in β ladder)trans-133.3135.1-176173.9136.8000110.7T155 A156 D157T155-L163 HydrophobicContact CG2-CD1 3.93Å; T155-L163 HydrophobicContact CG2-CD2 3.97Å; T155-L163 HydrophobicContact CG2-CG 4.13Å; A156-L163 CarbonylContact O-C 3.55Å; A156-L163 WeakPolarHBondContact O-CA 3.38Å; D157-L163 HydrophobicContact CB-CB 4.29Å; D157-L163 HydrophobicContact CB-CD1 4.46Å
164F91.3Very high80Confident69 Ų6950.5 Ų50.530%0.30328%0.277SS..EExtended strand (participates in β ladder)trans-119.8122.8176.7-170.9-92.2000110.7T155 A156 I166 D190 I193 F214T155-F164 CarbonylContact C-O 3.54Å; T155-F164 VanDerWaalsContact CA-O 3.25Å; T155-F164 WeakPolarHBondContact CA-O 3.2Å; A156-F164 PolarHBondContact N-O 2.89Å; A156-F164 PolarHBondContact O-N 2.81Å; F164-I166 HydrophobicContact CD1-CG1 4.22Å; F164-I166 PolarHBondContact O-N 3.13Å; F164-D190 HydrophobicContact CE1-CB 4.29Å; F164-D190 HydrophobicContact CZ-CB 4.24Å; F164-I193 HydrophobicContact CD1-CD1 4.1Å; F164-I193 HydrophobicContact CE1-CD1 3.55Å; F164-I193 HydrophobicContact CZ-CD1 3.91Å; F164-F214 HydrophobicContact CB-CE1 4.37Å; F164-F214 HydrophobicContact CB-CZ 4.15Å
165T89.6Confident77.6Confident51 Ų5156.9 Ų56.931%0.31330%0.301SS..EExtended strand (participates in β ladder)trans-78116.6174-50.60000110.6I167T165-I167 VanDerWaalsContact CG2-O 3.31Å; T165-I167 WeakPolarHBondContact CG2-O 3.12Å
166I89.1Confident74.9Confident1 Ų161.7 Ų61.71%0.00532%0.32CS..SBendtrans-90.2-45.6178.6-51.5166.6000110.6C154 A156 F164 K189 L194 F222C154-I166 HydrophobicContact CB-CB 4.33Å; C154-I166 PolarHBondContact O-N 3Å; A156-I166 HydrophobicContact CB-CD1 3.82Å; A156-I166 HydrophobicContact CB-CG1 4.31Å; F164-I166 HydrophobicContact CD1-CG1 4.22Å; F164-I166 PolarHBondContact O-N 3.13Å; I166-K189 WeakPolarHBondContact O-CB 3.36Å; I166-K189 PolarHBondContact O-N 3.43Å; I166-L194 HydrophobicContact CB-CD1 4.47Å; I166-L194 HydrophobicContact CD1-CD1 3.88Å; I166-L194 HydrophobicContact CG2-CB 3.58Å; I166-L194 HydrophobicContact CG2-CD1 3.39Å; I166-L194 HydrophobicContact CG2-CG 4.04Å; I166-F222 HydrophobicContact CD1-CD1 3.8Å; I166-F222 HydrophobicContact CD1-CE1 3.89Å
167I86.6Confident71.9Confident2 Ų267.2 Ų67.21%0.0135%0.354CS..SBendtrans-124131.9176.8-55.1179000107.7V151 S153 C154 T165 V186 L197V151-I167 HydrophobicContact CG1-CD1 4.3Å; S153-I167 CarbonylContact C-O 3.49Å; S153-I167 VanDerWaalsContact CA-O 3.24Å; S153-I167 WeakPolarHBondContact CA-O 3.46Å; S153-I167 PolarHBondContact N-O 3.11Å; C154-I167 HydrophobicContact CB-CB 3.73Å; C154-I167 HydrophobicContact CB-CD1 3.93Å; C154-I167 HydrophobicContact CB-CG1 3.78Å; C154-I167 PolarHBondContact N-O 3.06Å; C154-I167 PolarHBondContact O-N 3.15Å; C154-I167 VanDerWaalsContact O-N 3.1Å; C154-I167 VanDerWaalsContact SG-CD1 3.54Å; T165-I167 VanDerWaalsContact CG2-O 3.31Å; T165-I167 WeakPolarHBondContact CG2-O 3.12Å; I167-V186 HydrophobicContact CD1-CG1 4.4Å; I167-V186 HydrophobicContact CG2-CG1 3.41Å; I167-V186 VanDerWaalsContact CG2-CG1 3.41Å; I167-L197 HydrophobicContact CD1-CD1 3.41Å; I167-L197 VanDerWaalsContact CD1-CD1 3.41Å; I167-L197 HydrophobicContact CD1-CD2 3.68Å; I167-L197 HydrophobicContact CD1-CG 4.2Å; I167-L197 HydrophobicContact CG1-CD1 4.34Å
168D80.9Confident69Low58 Ų5873.3 Ų73.331%0.3138%0.38SS..  trans-75.9168.1179.569.3-0.4000112.9S153 N170 G171S153-D168 PolarHBondContact N-O 3.4Å; D168-N170 PolarHBondContact O-N 2.91Å; D168-N170 PolarHBondContact OD1-N 2.82Å; D168-G171 PolarHBondContact O-N 2.85Å; D168-G171 PolarHBondContact OD1-N 2.8Å
169E76.5Confident65.9Low127 Ų12777.8 Ų77.859%0.59341%0.412SS*.THydrogen-bonded Turntrans-63.4-28.2176-173-174.3171.300112.3S153 G171S153-E169 WeakPolarHBondContact OG-CA 3.48Å; E169-G171 PolarHBondContact O-N 2.82Å
170N65.5Low63.5Low92 Ų9281.7 Ų81.749%0.49244%0.442SS..THydrogen-bonded Turntrans-79.4-2.9-179.3-68.1-45.8000113.2D168 Q172D168-N170 PolarHBondContact O-N 2.91Å; D168-N170 PolarHBondContact OD1-N 2.82Å; N170-Q172 WeakPolarHBondContact O-CA 3.4Å; N170-Q172 PolarHBondContact O-N 2.82Å
171G55.3Low61.2Low2 Ų280.5 Ų80.52%0.02144%0.44CS..  trans20.167.9176.200000110.8D168 E169 A173D168-G171 PolarHBondContact O-N 2.85Å; D168-G171 PolarHBondContact OD1-N 2.8Å; E169-G171 PolarHBondContact O-N 2.82Å; G171-A173 PolarHBondContact O-N 3.01Å
172Q52.8Low59.3Low37 Ų3782 Ų8217%0.17343%0.431CS..  trans-62.187.4-165.4-79-106.6-2.100109.4N170 K174 C187N170-Q172 WeakPolarHBondContact O-CA 3.4Å; N170-Q172 PolarHBondContact O-N 2.82Å; Q172-K174 PolarHBondContact O-N 3.22Å; Q172-C187 HydrophobicContact CB-CB 4.24Å; Q172-C187 PolarHBondContact O-N 3.01Å; Q172-C187 PolarHBondContact O-SG 2.92Å
173A49.5Very low57.1Low28 Ų2880.1 Ų80.123%0.23143%0.43CS..EExtended strand (participates in β ladder)trans-66.376167.600000106.1L150 G171 R175 F185L150-A173 HydrophobicContact CD1-CB 4.29Å; G171-A173 PolarHBondContact O-N 3.01Å; A173-R175 PolarHBondContact O-N 3.15Å; A173-R175 VanDerWaalsContact O-N 3.13Å; A173-F185 CarbonylContact C-O 3.54Å; A173-F185 WeakPolarHBondContact CA-O 3.45Å
174K44.5Very low55.2Low92 Ų9276.9 Ų76.940%0.442%0.415SS..EExtended strand (participates in β ladder)trans-65.3119169.9-81.6-176.9-170.71680104.1Q172 K176 F185 R248Q172-K174 PolarHBondContact O-N 3.22Å; K174-K176 PolarHBondContact O-N 2.96Å; K174-F185 HydrophobicContact CB-CD2 3.96Å; K174-F185 HydrophobicContact CB-CE1 4.17Å; K174-F185 HydrophobicContact CB-CE2 3.18Å; K174-F185 HydrophobicContact CB-CZ 3.26Å; K174-F185 HydrophobicContact CD-CE2 3.92Å; K174-F185 HydrophobicContact CD-CZ 4.41Å; K174-F185 HydrophobicContact CG-CE2 4.14Å; K174-F185 HydrophobicContact CG-CZ 4.47Å; K174-F185 PolarHBondContact N-O 3.02Å; K174-F185 VanDerWaalsContact N-O 3.11Å; K174-F185 WeakPolarHBondContact O-CD1 3.32Å; K174-F185 WeakPolarHBondContact O-CE1 3.29Å; K174-F185 WeakPolarHBondContact O-CZ 3.31Å; K174-R248 VanDerWaalsContact CE-NH1 3.28Å
175R43Very low53.5Low137 Ų13775.1 Ų75.152%0.51741%0.407SS..EExtended strand (participates in β ladder)trans-73102.7162.7-104.3179154.4114.2-4.7106.1A173 I182A173-R175 PolarHBondContact O-N 3.15Å; A173-R175 VanDerWaalsContact O-N 3.13Å; R175-I182 HydrophobicContact CG-CG2 4.12Å
176K35.3Very low52.1Low121 Ų12172.7 Ų72.753%0.52639%0.393SS..EExtended strand (participates in β ladder)trans-87.4117.8154-91.3160.5154.6177.60104.9K174 F178 F185K174-K176 PolarHBondContact O-N 2.96Å; K176-F178 HydrophobicContact CB-CD2 3.95Å; K176-F178 HydrophobicContact CB-CE2 4.46Å; K176-F178 HydrophobicContact CD-CD2 4.11Å; K176-F178 HydrophobicContact CD-CE2 3.8Å; K176-F178 HydrophobicContact CG-CD2 4.39Å; K176-F178 HydrophobicContact CG-CE2 4.4Å; K176-F178 PolarHBondContact O-N 2.93Å; K176-F185 HydrophobicContact CB-CE1 3.4Å; K176-F185 VanDerWaalsContact CB-CE1 3.4Å; K176-F185 HydrophobicContact CB-CZ 3.76Å; K176-F185 HydrophobicContact CD-CE1 3.83Å; K176-F185 HydrophobicContact CD-CE2 4.41Å; K176-F185 HydrophobicContact CD-CZ 3.55Å; K176-F185 HydrophobicContact CG-CE1 3.76Å; K176-F185 HydrophobicContact CG-CZ 3.56Å
177V31.9Very low50.9Low116 Ų11673.6 Ų73.670%0.70340%0.399SS*.EExtended strand (participates in β ladder)trans-72.589.8158.2-1790000105.6
178F31.4Very low50.2Low142 Ų14274.1 Ų74.162%0.62340%0.403SS*.EExtended strand (participates in β ladder)trans-83.1137.9152.4-96.3-89.3000106.2K176 A180 D181K176-F178 HydrophobicContact CB-CD2 3.95Å; K176-F178 HydrophobicContact CB-CE2 4.46Å; K176-F178 HydrophobicContact CD-CD2 4.11Å; K176-F178 HydrophobicContact CD-CE2 3.8Å; K176-F178 HydrophobicContact CG-CD2 4.39Å; K176-F178 HydrophobicContact CG-CE2 4.4Å; K176-F178 PolarHBondContact O-N 2.93Å; F178-A180 PolarHBondContact O-N 2.83Å; F178-D181 PolarHBondContact O-N 2.73Å
179S26.1Very low49.8Very low108 Ų10878.5 Ų78.576%0.75542%0.419SS*.THydrogen-bonded Turntrans-30.1123.4-175.247.50000114.4D181S179-D181 PolarHBondContact O-N 3.06Å
180A35.4Very low49.5Very low104 Ų10474.7 Ų74.786%0.8640%0.403SS*.THydrogen-bonded Turntrans65.9-20.4171.800000119.2F178F178-A180 PolarHBondContact O-N 2.83Å
181D37Very low49.9Very low123 Ų12375 Ų7566%0.65840%0.404SS*.EExtended strand (participates in β ladder)trans-122.4116.9178-69.5-40.9000112.1F178 S179 C183F178-D181 PolarHBondContact O-N 2.73Å; S179-D181 PolarHBondContact O-N 3.06Å; D181-C183 PolarHBondContact O-N 3.14Å; D181-C183 VanDerWaalsContact O-N 3.15Å
182I42.9Very low50.7Low100 Ų10084.6 Ų84.651%0.51345%0.446SS..EExtended strand (participates in β ladder)trans-77.697.5173.1-74.5168000108.1R175R175-I182 HydrophobicContact CG-CG2 4.12Å
183C43.1Very low51.9Low73 Ų7384.4 Ų84.449%0.49345%0.446SS..EExtended strand (participates in β ladder)trans-95.3114.1165.4-64.60000109D181D181-C183 PolarHBondContact O-N 3.14Å; D181-C183 VanDerWaalsContact O-N 3.15Å
184S51.6Low53.4Low32 Ų3283.2 Ų83.222%0.22444%0.436CS..EExtended strand (participates in β ladder)trans-69.6130.3163.2-89.70000108.2Y199S184-Y199 WeakPolarHBondContact O-CD2 3.09Å
185F54.7Low55.1Low31 Ų3182 Ų8214%0.13644%0.436CS..EExtended strand (participates in β ladder)trans-122.3132.417048.6-81.6000109.1A173 K174 K176 D196 L197A173-F185 CarbonylContact C-O 3.54Å; A173-F185 WeakPolarHBondContact CA-O 3.45Å; K174-F185 HydrophobicContact CB-CD2 3.96Å; K174-F185 HydrophobicContact CB-CE1 4.17Å; K174-F185 HydrophobicContact CB-CE2 3.18Å; K174-F185 HydrophobicContact CB-CZ 3.26Å; K174-F185 HydrophobicContact CD-CE2 3.92Å; K174-F185 HydrophobicContact CD-CZ 4.41Å; K174-F185 HydrophobicContact CG-CE2 4.14Å; K174-F185 HydrophobicContact CG-CZ 4.47Å; K174-F185 PolarHBondContact N-O 3.02Å; K174-F185 VanDerWaalsContact N-O 3.11Å; K174-F185 WeakPolarHBondContact O-CD1 3.32Å; K174-F185 WeakPolarHBondContact O-CE1 3.29Å; K174-F185 WeakPolarHBondContact O-CZ 3.31Å; K176-F185 HydrophobicContact CB-CE1 3.4Å; K176-F185 VanDerWaalsContact CB-CE1 3.4Å; K176-F185 HydrophobicContact CB-CZ 3.76Å; K176-F185 HydrophobicContact CD-CE1 3.83Å; K176-F185 HydrophobicContact CD-CE2 4.41Å; K176-F185 HydrophobicContact CD-CZ 3.55Å; K176-F185 HydrophobicContact CG-CE1 3.76Å; K176-F185 HydrophobicContact CG-CZ 3.56Å; F185-D196 HydrophobicContact CB-CB 4.43Å; F185-L197 VanDerWaalsContact CA-O 3.31Å; F185-L197 WeakPolarHBondContact CA-O 3.42Å; F185-L197 WeakPolarHBondContact CB-O 3.4Å
186V62Low56.8Low0 Ų078.5 Ų78.50%043%0.427CS..EExtended strand (participates in β ladder)trans-87.1122.7173.9173.60000107.9L150 I167 S188 L197 Y199L150-V186 HydrophobicContact CD1-CG2 3.49Å; L150-V186 VanDerWaalsContact CD1-CG2 3.49Å; I167-V186 HydrophobicContact CD1-CG1 4.4Å; I167-V186 HydrophobicContact CG2-CG1 3.41Å; I167-V186 VanDerWaalsContact CG2-CG1 3.41Å; V186-S188 PolarHBondContact O-N 3.34Å; V186-L197 HydrophobicContact CB-CB 4.41Å; V186-L197 PolarHBondContact O-N 3.44Å; V186-L197 VanDerWaalsContact O-N 3.11Å; V186-Y199 HydrophobicContact CG2-CE2 4.09Å
187C63.2Low59.2Low20 Ų2072.8 Ų72.814%0.13540%0.402CS..PPolyproline II helixtrans-70.8128.1179.5-61.20000110.6Q172 D196Q172-C187 HydrophobicContact CB-CB 4.24Å; Q172-C187 PolarHBondContact O-N 3.01Å; Q172-C187 PolarHBondContact O-SG 2.92Å; C187-D196 WeakPolarHBondContact CA-OD1 3.21Å
188S70.9Confident61.7Low13 Ų1369.9 Ų69.99%0.09139%0.388CS..PPolyproline II helixtrans-69.9150.8166.2-179.90000110.3V186 D190 L194 D196V186-S188 PolarHBondContact O-N 3.34Å; S188-D190 VanDerWaalsContact C-N 3.34Å; S188-D190 PolarHBondContact OG-N 3.31Å; S188-D190 PolarHBondContact OG-O 2.99Å; S188-D190 VanDerWaalsContact OG-O 3.14Å; S188-L194 WeakPolarHBondContact CB-O 3.03Å; S188-L194 PolarHBondContact OG-O 3.14Å; S188-D196 PolarHBondContact N-OD1 2.89Å
189K72.8Confident64.2Low150 Ų15064.9 Ų64.965%0.65237%0.365SS*.SBendtrans-74-31.5171.5-171-178.1177-172.70111.4I166I166-K189 WeakPolarHBondContact O-CB 3.36Å; I166-K189 PolarHBondContact O-N 3.43Å
190D71.4Confident67Low48 Ų4864.9 Ų64.926%0.25736%0.356SS..  trans-135.8103.2-176.8-166.6-24.8000110.9F164 S188 F192 I193 L194F164-D190 HydrophobicContact CE1-CB 4.29Å; F164-D190 HydrophobicContact CZ-CB 4.24Å; S188-D190 VanDerWaalsContact C-N 3.34Å; S188-D190 PolarHBondContact OG-N 3.31Å; S188-D190 PolarHBondContact OG-O 2.99Å; S188-D190 VanDerWaalsContact OG-O 3.14Å; D190-F192 PolarHBondContact O-N 2.84Å; D190-F192 WeakPolarHBondContact OD1-CB 3.44Å; D190-F192 PolarHBondContact OD1-N 2.78Å; D190-I193 HydrophobicContact CB-CD1 4.32Å; D190-I193 HydrophobicContact CB-CG1 4.49Å; D190-I193 PolarHBondContact O-N 3.17Å; D190-I193 VanDerWaalsContact O-N 3.17Å; D190-L194 PolarHBondContact O-N 3.22Å
191N72.2Confident69.4Low98 Ų9861.5 Ų61.552%0.52433%0.331SS..THydrogen-bonded Turntrans-69.4-11.7-179.1-74.97.6000113.8L194N191-L194 WeakPolarHBondContact CA-O 3.25Å
192F73.6Confident71.7Confident204 Ų20458.6 Ų58.690%0.89532%0.316SS*.THydrogen-bonded Turntrans-76.4-29.1172.7-70.4-79.4000112.1D190D190-F192 PolarHBondContact O-N 2.84Å; D190-F192 WeakPolarHBondContact OD1-CB 3.44Å; D190-F192 PolarHBondContact OD1-N 2.78Å
193I78Confident74Confident33 Ų3355.5 Ų55.517%0.16930%0.3CS..THydrogen-bonded Turntrans-94.1-47.9-177.1-63.5175.3000110.4F164 D190 S209 F212F164-I193 HydrophobicContact CD1-CD1 4.1Å; F164-I193 HydrophobicContact CE1-CD1 3.55Å; F164-I193 HydrophobicContact CZ-CD1 3.91Å; D190-I193 HydrophobicContact CB-CD1 4.32Å; D190-I193 HydrophobicContact CB-CG1 4.49Å; D190-I193 PolarHBondContact O-N 3.17Å; D190-I193 VanDerWaalsContact O-N 3.17Å; I193-S209 WeakPolarHBondContact O-CB 3.32Å; I193-F212 HydrophobicContact CG2-CD1 3.68Å; I193-F212 HydrophobicContact CG2-CD2 4.49Å; I193-F212 HydrophobicContact CG2-CE1 3.25Å; I193-F212 HydrophobicContact CG2-CE2 4.13Å; I193-F212 HydrophobicContact CG2-CG 4.28Å; I193-F212 HydrophobicContact CG2-CZ 3.49Å; I193-F212 VanDerWaalsContact CG2-CZ 3.49Å
194L80.4Confident76.3Confident3 Ų354.3 Ų54.32%0.01629%0.287CS..BIsolated β-bridgetrans-144.5129.1-176.6-106.3143.2000108.6I166 S188 D190 N191 V207I166-L194 HydrophobicContact CB-CD1 4.47Å; I166-L194 HydrophobicContact CD1-CD1 3.88Å; I166-L194 HydrophobicContact CG2-CB 3.58Å; I166-L194 HydrophobicContact CG2-CD1 3.39Å; I166-L194 HydrophobicContact CG2-CG 4.04Å; S188-L194 WeakPolarHBondContact CB-O 3.03Å; S188-L194 PolarHBondContact OG-O 3.14Å; D190-L194 PolarHBondContact O-N 3.22Å; N191-L194 WeakPolarHBondContact CA-O 3.25Å; L194-V207 HydrophobicContact CD2-CB 4.27Å; L194-V207 HydrophobicContact CD2-CG1 3.18Å; L194-V207 HydrophobicContact CD2-CG2 4.08Å
195T80.4Confident78.1Confident66 Ų6652.8 Ų52.841%0.40528%0.276SS..  trans-78.6179.2175.757.80000110.8L197 V207 E208T195-L197 PolarHBondContact O-N 2.02Å; T195-V207 WeakPolarHBondContact OG1-CG2 3.31Å; T195-E208 PolarHBondContact OG1-O 2.69Å
196D78.7Confident79.9Confident63 Ų6351.3 Ų51.334%0.33727%0.27SS..PPolyproline II helixtrans-63.5131.8177.4-69.3-16.4000110.6F185 C187 S188F185-D196 HydrophobicContact CB-CB 4.43Å; C187-D196 WeakPolarHBondContact CA-OD1 3.21Å; S188-D196 PolarHBondContact N-OD1 2.89Å
197L84.7Confident81.2Confident1 Ų151.6 Ų51.61%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-71.1137.6-178.7-81.467.4000110.7W137 V151 I167 F185 V186 T195 V207W137-L197 HydrophobicContact CD2-CD2 4.48Å; W137-L197 HydrophobicContact CE3-CD2 3.88Å; W137-L197 HydrophobicContact CH2-CD2 3.64Å; W137-L197 HydrophobicContact CH2-CG 4.24Å; W137-L197 HydrophobicContact CZ2-CD2 4.27Å; W137-L197 HydrophobicContact CZ3-CD2 3.41Å; W137-L197 VanDerWaalsContact CZ3-CD2 3.41Å; W137-L197 HydrophobicContact CZ3-CG 3.94Å; V151-L197 HydrophobicContact CB-CD2 3.94Å; V151-L197 HydrophobicContact CG1-CD2 3.83Å; V151-L197 HydrophobicContact CG2-CD2 4.26Å; I167-L197 HydrophobicContact CD1-CD1 3.41Å; I167-L197 VanDerWaalsContact CD1-CD1 3.41Å; I167-L197 HydrophobicContact CD1-CD2 3.68Å; I167-L197 HydrophobicContact CD1-CG 4.2Å; I167-L197 HydrophobicContact CG1-CD1 4.34Å; F185-L197 VanDerWaalsContact CA-O 3.31Å; F185-L197 WeakPolarHBondContact CA-O 3.42Å; F185-L197 WeakPolarHBondContact CB-O 3.4Å; V186-L197 HydrophobicContact CB-CB 4.41Å; V186-L197 PolarHBondContact O-N 3.44Å; V186-L197 VanDerWaalsContact O-N 3.11Å; T195-L197 PolarHBondContact O-N 2.02Å; L197-V207 HydrophobicContact CD1-CB 4.37Å; L197-V207 HydrophobicContact CD1-CG1 4.08Å; L197-V207 HydrophobicContact CG-CB 4.08Å; L197-V207 HydrophobicContact CG-CG1 3.93Å
198S84.2Confident82.5Confident56 Ų5656.3 Ų56.339%0.39229%0.291SS..EExtended strand (participates in β ladder)trans-102.5138.7174.669.50000111A205 G206S198-A205 CarbonylContact O-C 3.59Å; S198-A205 VanDerWaalsContact O-CA 3.23Å; S198-A205 WeakPolarHBondContact O-CA 3.39Å; S198-G206 PolarHBondContact N-O 3.27Å; S198-G206 PolarHBondContact O-N 3.22Å; S198-G206 PolarHBondContact OG-O 3.21Å
199Y85.2Confident83.5Confident37 Ų3756.1 Ų56.115%0.14529%0.29CS..EExtended strand (participates in β ladder)trans-95.3118.5173.1-80.3-99.1000109.5M149 L150 V151 S184 V186 A205M149-Y199 HydrophobicContact CE-CE1 4.27Å; M149-Y199 HydrophobicContact CG-CE1 4.21Å; M149-Y199 VanDerWaalsContact O-CE1 3.23Å; M149-Y199 WeakPolarHBondContact O-CE1 3.31Å; L150-Y199 VanDerWaalsContact CA-OH 3.24Å; L150-Y199 WeakPolarHBondContact CA-OH 3.39Å; V151-Y199 PolarHBondContact N-OH 3.25Å; S184-Y199 WeakPolarHBondContact O-CD2 3.09Å; V186-Y199 HydrophobicContact CG2-CE2 4.09Å; Y199-A205 HydrophobicContact CD1-CB 3.95Å; Y199-A205 HydrophobicContact CD2-CB 4.36Å; Y199-A205 HydrophobicContact CE1-CB 3.82Å; Y199-A205 HydrophobicContact CE2-CB 4.26Å; Y199-A205 HydrophobicContact CG-CB 4.22Å
200L84.9Confident84.4Confident107 Ų10753.7 Ų53.756%0.5628%0.281SS*.EExtended strand (participates in β ladder)trans-84.2-19.9175.5-58.4178.5000111.4E204L200-E204 HydrophobicContact CB-CB 4.37Å; L200-E204 HydrophobicContact CB-CG 4.12Å; L200-E204 HydrophobicContact CD1-CG 4.16Å; L200-E204 PolarHBondContact N-O 2.9Å
201G85.3Confident85.4Confident34 Ų3451.6 Ų51.635%0.35127%0.27SS..EExtended strand (participates in β ladder)trans-169.6-177.2172.700000110.6M203 E204G201-M203 PolarHBondContact O-N 3.4Å; G201-M203 VanDerWaalsContact O-N 3.14Å; G201-E204 PolarHBondContact N-O 3.22Å; G201-E204 PolarHBondContact O-N 2.83Å; G201-E204 VanDerWaalsContact O-O 3.06Å
202D86.3Confident86.4Confident62 Ų6248.7 Ų48.733%0.33225%0.252SS..THydrogen-bonded Turntrans-64.2-21.9-177.6-65.8-49.8000113.4C148 M149 K231C148-D202 CarbonylContact C-O 3.54Å; C148-D202 VanDerWaalsContact CA-O 3.23Å; C148-D202 WeakPolarHBondContact CA-O 3.46Å; C148-D202 HydrophobicContact CB-CB 4.08Å; M149-D202 PolarHBondContact N-O 2.85Å; D202-K231 VanDerWaalsContact CG-NZ 3.31Å; D202-K231 WeakPolarHBondContact OD2-CE 3.37Å; D202-K231 IonicContact OD2-NZ 2.74Å; D202-K231 PolarHBondContact OD2-NZ 2.78Å
203M90.5Very high87.2Confident35 Ų3541.2 Ų41.217%0.17222%0.22CC..THydrogen-bonded Turntrans-124.815.6-176-62.2-68.3-82.900112.6P109 C139 M149 G201 L228P109-M203 HydrophobicContact CB-CE 3.74Å; P109-M203 HydrophobicContact CG-CE 3.74Å; C139-M203 HydrophobicContact CB-CB 4.43Å; C139-M203 HydrophobicContact CB-CE 3.35Å; C139-M203 HydrophobicContact CB-SD 4.27Å; C139-M203 PolarHBondContact N-O 2.83Å; C139-M203 WeakPolarHBondContact O-CB 3.39Å; M149-M203 HydrophobicContact CB-SD 4.18Å; M149-M203 VanDerWaalsContact SD-O 3.35Å; G201-M203 PolarHBondContact O-N 3.4Å; G201-M203 VanDerWaalsContact O-N 3.14Å; M203-L228 HydrophobicContact CE-CD2 4.23Å; M203-L228 HydrophobicContact SD-CD2 4.45Å
204E91.4Very high87.8Confident48 Ų4840.8 Ų40.822%0.22422%0.216CC..EExtended strand (participates in β ladder)trans-142.8130.5179.1-174.2169.2-179.700111.8R136 W137 L138 L200 G201R136-E204 IonicContact CZ-OE1 2.86Å; R136-E204 IonicContact NE-OE1 3.51Å; R136-E204 PolarHBondContact NE-OE1 2.87Å; R136-E204 IonicContact NH2-OE1 2.85Å; R136-E204 PolarHBondContact NH2-OE1 2.82Å; R136-E204 IonicContact NH2-OE2 3.61Å; R136-E204 PolarHBondContact NH2-OE2 3.38Å; W137-E204 WeakPolarHBondContact O-CA 3.04Å; L138-E204 HydrophobicContact CD1-CB 4.01Å; L138-E204 HydrophobicContact CD1-CG 4.15Å; L200-E204 HydrophobicContact CB-CB 4.37Å; L200-E204 HydrophobicContact CB-CG 4.12Å; L200-E204 HydrophobicContact CD1-CG 4.16Å; L200-E204 PolarHBondContact N-O 2.9Å; G201-E204 PolarHBondContact N-O 3.22Å; G201-E204 PolarHBondContact O-N 2.83Å; G201-E204 VanDerWaalsContact O-O 3.06Å
205A89.7Confident88.3Confident0 Ų044.6 Ų44.60%025%0.249CC..EExtended strand (participates in β ladder)trans-137.5152.8176.500000110.1W137 M149 V151 S198 Y199W137-A205 HydrophobicContact CB-CB 4.49Å; W137-A205 HydrophobicContact CE3-CB 4.49Å; W137-A205 PolarHBondContact N-O 2.92Å; W137-A205 PolarHBondContact O-N 3.45Å; M149-A205 HydrophobicContact CE-CB 3.62Å; V151-A205 HydrophobicContact CG2-CB 4.07Å; S198-A205 CarbonylContact O-C 3.59Å; S198-A205 VanDerWaalsContact O-CA 3.23Å; S198-A205 WeakPolarHBondContact O-CA 3.39Å; Y199-A205 HydrophobicContact CD1-CB 3.95Å; Y199-A205 HydrophobicContact CD2-CB 4.36Å; Y199-A205 HydrophobicContact CE1-CB 3.82Å; Y199-A205 HydrophobicContact CE2-CB 4.26Å; Y199-A205 HydrophobicContact CG-CB 4.22Å
206G91.1Very high88.6Confident0 Ų048.9 Ų48.90%027%0.269CS..EExtended strand (participates in β ladder)trans-165.2168.717300000114.2Y134 H135 S198Y134-G206 WeakPolarHBondContact OH-CA 3.23Å; H135-G206 CarbonylContact O-C 3.49Å; H135-G206 WeakPolarHBondContact O-CA 3.47Å; S198-G206 PolarHBondContact N-O 3.27Å; S198-G206 PolarHBondContact O-N 3.22Å; S198-G206 PolarHBondContact OG-O 3.21Å
207V90.4Very high89.1Confident5 Ų548 Ų483%0.0326%0.262CS..EExtended strand (participates in β ladder)trans-159.5140.9-172.463.10000110.3Y134 H135 W137 L194 T195 L197Y134-V207 WeakPolarHBondContact CA-O 3.18Å; Y134-V207 WeakPolarHBondContact CD2-O 3.4Å; H135-V207 HydrophobicContact CB-CG1 3.82Å; H135-V207 PolarHBondContact N-O 3.34Å; H135-V207 PolarHBondContact O-N 3.07Å; W137-V207 HydrophobicContact CH2-CG1 4.02Å; W137-V207 HydrophobicContact CZ3-CG1 3.82Å; L194-V207 HydrophobicContact CD2-CB 4.27Å; L194-V207 HydrophobicContact CD2-CG1 3.18Å; L194-V207 HydrophobicContact CD2-CG2 4.08Å; T195-V207 WeakPolarHBondContact OG1-CG2 3.31Å; L197-V207 HydrophobicContact CD1-CB 4.37Å; L197-V207 HydrophobicContact CD1-CG1 4.08Å; L197-V207 HydrophobicContact CG-CB 4.08Å; L197-V207 HydrophobicContact CG-CG1 3.93Å
208E90.8Very high89.3Confident119 Ų11950.2 Ų50.256%0.55628%0.277SS*.EExtended strand (participates in β ladder)trans-87.9138.7172.8-167.6171.2-162.600110.1Y134 T195Y134-E208 HydrophobicContact CD2-CB 4.42Å; T195-E208 PolarHBondContact OG1-O 2.69Å
209S91.8Very high89.6Confident10 Ų1048.6 Ų48.67%0.0726%0.263CS..EExtended strand (participates in β ladder)trans-152.7-172.7179.871.50000110.6I133 H135 I193I133-S209 WeakPolarHBondContact CG1-OG 3.12Å; I133-S209 PolarHBondContact N-O 3.49Å; I133-S209 PolarHBondContact O-N 3Å; I133-S209 VanDerWaalsContact O-O 3.1Å; H135-S209 PolarHBondContact CD2-OG 2.88Å; H135-S209 PolarHBondContact NE2-OG 3.42Å; I193-S209 WeakPolarHBondContact O-CB 3.32Å
210Q92Very high90Very high98 Ų9846.9 Ų46.946%0.45826%0.256SS..EExtended strand (participates in β ladder)trans-123.6148.6178.8-57.6-174.21.500110.3D131 Q132 F212D131-Q210 CarbonylContact O-C 3.54Å; D131-Q210 VanDerWaalsContact O-CA 3.29Å; D131-Q210 WeakPolarHBondContact O-CA 2.81Å; Q132-Q210 VanDerWaalsContact NE2-CD 3.29Å; Q210-F212 PolarHBondContact O-N 2.77Å
211I92.6Very high90.4Very high5 Ų543.2 Ų43.23%0.02624%0.235CC..  trans-62.4131172.2-64.2-176.9000109.3V124 H128 V129 G130 D131 I133 I280 V282V124-I211 HydrophobicContact CG1-CD1 4.19Å; H128-I211 WeakPolarHBondContact O-CB 3.43Å; V129-I211 WeakPolarHBondContact CA-O 3.17Å; G130-I211 PolarHBondContact N-O 2.88Å; D131-I211 HydrophobicContact CB-CD1 3.91Å; D131-I211 HydrophobicContact CB-CG1 4.22Å; D131-I211 PolarHBondContact O-N 2.79Å; I133-I211 HydrophobicContact CD1-CG1 4.01Å; I133-I211 HydrophobicContact CG1-CG1 4.25Å; I133-I211 HydrophobicContact CG2-CD1 3.91Å; I133-I211 HydrophobicContact CG2-CG1 3.56Å; I211-I280 HydrophobicContact CD1-CG2 4.16Å; I211-V282 HydrophobicContact CG2-CB 4.18Å; I211-V282 HydrophobicContact CG2-CG1 3.57Å; I211-V282 HydrophobicContact CG2-CG2 3.65Å
212F91.7Very high90.8Very high36 Ų3641.9 Ų41.916%0.15822%0.22CC..  trans-132166.2173.965.6-87.3000109.4A156 I193 Q210 V220 F222A156-F212 HydrophobicContact CB-CE2 4Å; A156-F212 HydrophobicContact CB-CZ 3.86Å; I193-F212 HydrophobicContact CG2-CD1 3.68Å; I193-F212 HydrophobicContact CG2-CD2 4.49Å; I193-F212 HydrophobicContact CG2-CE1 3.25Å; I193-F212 HydrophobicContact CG2-CE2 4.13Å; I193-F212 HydrophobicContact CG2-CG 4.28Å; I193-F212 HydrophobicContact CG2-CZ 3.49Å; I193-F212 VanDerWaalsContact CG2-CZ 3.49Å; Q210-F212 PolarHBondContact O-N 2.77Å; F212-V220 HydrophobicContact CE2-CG1 4.23Å; F212-V220 HydrophobicContact CZ-CG1 4.35Å; F212-V220 VanDerWaalsContact O-CG2 3.27Å; F212-V220 WeakPolarHBondContact O-CG2 3.17Å; F212-F222 AromaticContact CE1-CE1 3.69Å; F212-F222 HydrophobicContact CE1-CE1 3.69Å; F212-F222 AromaticContact CE1-CZ 3.65Å; F212-F222 HydrophobicContact CE1-CZ 3.65Å; F212-F222 AromaticContact CZ-CE1 3.52Å; F212-F222 HydrophobicContact CZ-CE1 3.52Å; F212-F222 AromaticContact CZ-CZ 3.75Å; F212-F222 HydrophobicContact CZ-CZ 3.75Å
213K90.6Very high91.2Very high48 Ų4839.3 Ų39.321%0.20921%0.206CC..  trans-143159.9175.658.5174.2-85.4178.10112.4V129 K217 V220 V282 D284V129-K213 HydrophobicContact CG2-CD 4.03Å; V129-K213 HydrophobicContact CG2-CG 3.85Å; K213-K217 WeakPolarHBondContact CE-O 3.12Å; K213-K217 PolarHBondContact NZ-O 3.27Å; K213-V220 HydrophobicContact CB-CG2 4.28Å; K213-V282 HydrophobicContact CB-CB 3.89Å; K213-V282 HydrophobicContact CB-CG1 3.79Å; K213-V282 HydrophobicContact CB-CG2 4.19Å; K213-V282 HydrophobicContact CD-CB 4.33Å; K213-V282 HydrophobicContact CD-CG1 3.91Å; K213-V282 HydrophobicContact CG-CB 4.49Å; K213-V282 HydrophobicContact CG-CG1 3.96Å; K213-D284 WeakPolarHBondContact CD-OD1 3.07Å; K213-D284 WeakPolarHBondContact CE-OD1 3.38Å; K213-D284 IonicContact NZ-OD1 3.57Å; K213-D284 PolarHBondContact NZ-OD1 2.85Å; K213-D284 IonicContact NZ-OD2 3.31Å; K213-D284 PolarHBondContact NZ-OD2 2.96Å
214F91.5Very high91.3Very high23 Ų2337.6 Ų37.610%0.10120%0.198CC..  trans-73.4151.8162.6-63.5-94.8000110.1A156 D158 E162 F164 D216 K217 V220A156-F214 HydrophobicContact CB-CE2 4.36Å; A156-F214 HydrophobicContact CB-CZ 4.45Å; D158-F214 HydrophobicContact CB-CB 4.24Å; D158-F214 HydrophobicContact CB-CD2 3.81Å; D158-F214 HydrophobicContact CB-CE2 4.31Å; D158-F214 HydrophobicContact CB-CG 3.97Å; E162-F214 HydrophobicContact CB-CD1 4.4Å; E162-F214 HydrophobicContact CB-CE1 4.35Å; E162-F214 HydrophobicContact CG-CD1 3.99Å; E162-F214 HydrophobicContact CG-CE1 3.84Å; F164-F214 HydrophobicContact CB-CE1 4.37Å; F164-F214 HydrophobicContact CB-CZ 4.15Å; F214-D216 PolarHBondContact O-N 3.11Å; F214-K217 HydrophobicContact CB-CB 3.91Å; F214-K217 HydrophobicContact CB-CG 3.8Å; F214-K217 PolarHBondContact O-N 3.43Å; F214-V220 HydrophobicContact CD2-CG2 4.33Å
215A89.3Confident91.4Very high84 Ų8437.5 Ų37.569%0.69420%0.198SC*.THydrogen-bonded Turntrans-61134.4178.300000110.5K217A215-K217 WeakPolarHBondContact O-CG 3.24Å; A215-K217 PolarHBondContact O-N 3.48Å
216D87.9Confident91.5Very high155 Ų15537.6 Ų37.683%0.82920%0.198SC*.THydrogen-bonded Turntrans58.310.7-178.7-56.2-32000116.1F214F214-D216 PolarHBondContact O-N 3.11Å
217K89.7Confident91.4Very high45 Ų4539.6 Ų39.620%0.19621%0.205CC..  trans-108130.3177-54.2-61.9179.2-172.60110.7D158 E160 K213 F214 A215D158-K217 HydrophobicContact CB-CB 4.16Å; D158-K217 HydrophobicContact CB-CD 4.3Å; D158-K217 HydrophobicContact CB-CG 3.77Å; D158-K217 VanDerWaalsContact OD2-CE 3.22Å; D158-K217 WeakPolarHBondContact OD2-CE 3.24Å; E160-K217 IonicContact OE1-NZ 3.84Å; E160-K217 IonicContact OE2-NZ 3.38Å; E160-K217 PolarHBondContact OE2-NZ 3.1Å; K213-K217 WeakPolarHBondContact CE-O 3.12Å; K213-K217 PolarHBondContact NZ-O 3.27Å; F214-K217 HydrophobicContact CB-CB 3.91Å; F214-K217 HydrophobicContact CB-CG 3.8Å; F214-K217 PolarHBondContact O-N 3.43Å; A215-K217 WeakPolarHBondContact O-CG 3.24Å; A215-K217 PolarHBondContact O-N 3.48Å
218P88.1Confident91.2Very high48 Ų4839.4 Ų39.431%0.31220%0.204SC..SBendtrans-85.7-13.4-17733.4-35.4000113.1R11 L281 V282R11-P218 VanDerWaalsContact NH2-CB 3.26Å; P218-L281 HydrophobicContact CB-CD1 3.99Å; P218-L281 CarbonylContact O-C 3.57Å; P218-L281 WeakPolarHBondContact O-CA 3.41Å; P218-L281 WeakPolarHBondContact O-CD1 3.22Å; P218-V282 PolarHBondContact O-N 3.39Å
219H90.6Very high90.9Very high22 Ų2233.9 Ų33.910%0.10218%0.179CC..EExtended strand (participates in β ladder)trans-124.9151.6-175.5-69.7-72.6000111.9R11 Y221 I280R11-H219 PolarHBondContact NH1-CE1 2.77Å; R11-H219 PolarHBondContact NH1-NE2 2.94Å; H219-Y221 HydrophobicContact CB-CE2 3.82Å; H219-I280 WeakPolarHBondContact CA-O 3.11Å
220V93.3Very high90.4Very high1 Ų136.9 Ų36.91%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-126.2132165.8-177.80000109.2A156 F212 K213 F214 F222 I280 V282A156-V220 HydrophobicContact CB-CG1 3.95Å; F212-V220 HydrophobicContact CE2-CG1 4.23Å; F212-V220 HydrophobicContact CZ-CG1 4.35Å; F212-V220 VanDerWaalsContact O-CG2 3.27Å; F212-V220 WeakPolarHBondContact O-CG2 3.17Å; K213-V220 HydrophobicContact CB-CG2 4.28Å; F214-V220 HydrophobicContact CD2-CG2 4.33Å; V220-F222 HydrophobicContact CB-CE2 4.36Å; V220-F222 HydrophobicContact CG1-CD2 4.34Å; V220-F222 HydrophobicContact CG1-CE1 4.13Å; V220-F222 HydrophobicContact CG1-CE2 3.78Å; V220-F222 HydrophobicContact CG1-CZ 3.67Å; V220-I280 PolarHBondContact N-O 2.9Å; V220-I280 VanDerWaalsContact N-O 3.13Å; V220-I280 PolarHBondContact O-N 2.97Å; V220-I280 VanDerWaalsContact O-N 3.17Å; V220-V282 HydrophobicContact CG2-CG2 4.07Å
221Y93.6Very high89.8Confident30 Ų3033.1 Ų33.112%0.11818%0.175CC..EExtended strand (participates in β ladder)trans-108.4134.8176.2-60.5-92.7000109A156 D157 H219 P279A156-Y221 CarbonylContact C-O 3.56Å; A156-Y221 WeakPolarHBondContact CA-O 3.41Å; D157-Y221 PolarHBondContact N-O 2.81Å; D157-Y221 WeakPolarHBondContact O-CD2 3.43Å; D157-Y221 PolarHBondContact O-N 3.41Å; D157-Y221 WeakPolarHBondContact OD2-CB 3.43Å; H219-Y221 HydrophobicContact CB-CE2 3.82Å; Y221-P279 HydrophobicContact CD1-CB 3.72Å; Y221-P279 HydrophobicContact CD1-CG 4.45Å; Y221-P279 HydrophobicContact CE1-CB 3.58Å; Y221-P279 HydrophobicContact CE1-CG 4.07Å; Y221-P279 HydrophobicContact CG-CB 4.49Å
222F94.7Very high88.8Confident6 Ų637.8 Ų37.83%0.02619%0.192CC..EExtended strand (participates in β ladder)trans-115.6130177.4-63-84.8000111.1Y113 H135 T155 A156 I166 F212 V220 M276 A277 I280Y113-F222 HydrophobicContact CE1-CB 3.61Å; H135-F222 AromaticContact CE1-CE1 3.92Å; H135-F222 AromaticContact CE1-CZ 3.93Å; T155-F222 WeakPolarHBondContact O-CA 2.99Å; A156-F222 HydrophobicContact CB-CD1 4.1Å; A156-F222 HydrophobicContact CB-CE1 4.04Å; I166-F222 HydrophobicContact CD1-CD1 3.8Å; I166-F222 HydrophobicContact CD1-CE1 3.89Å; F212-F222 AromaticContact CE1-CE1 3.69Å; F212-F222 HydrophobicContact CE1-CE1 3.69Å; F212-F222 AromaticContact CE1-CZ 3.65Å; F212-F222 HydrophobicContact CE1-CZ 3.65Å; F212-F222 AromaticContact CZ-CE1 3.52Å; F212-F222 HydrophobicContact CZ-CE1 3.52Å; F212-F222 AromaticContact CZ-CZ 3.75Å; F212-F222 HydrophobicContact CZ-CZ 3.75Å; V220-F222 HydrophobicContact CB-CE2 4.36Å; V220-F222 HydrophobicContact CG1-CD2 4.34Å; V220-F222 HydrophobicContact CG1-CE1 4.13Å; V220-F222 HydrophobicContact CG1-CE2 3.78Å; V220-F222 HydrophobicContact CG1-CZ 3.67Å; F222-M276 WeakPolarHBondContact O-CA 3.24Å; F222-A277 HydrophobicContact CB-CB 4.13Å; F222-A277 PolarHBondContact O-N 2.67Å; F222-I280 HydrophobicContact CE2-CD1 4Å
223T93.8Very high87.5Confident7 Ų744.8 Ų44.84%0.04323%0.226CC..EExtended strand (participates in β ladder)trans-126.8139.3173.3-51.70000109.5Q45 C154 T155 I275 M276Q45-T223 PolarHBondContact NE2-OG1 3.47Å; Q45-T223 PolarHBondContact OE1-OG1 3.19Å; C154-T223 CarbonylContact C-O 3.5Å; C154-T223 VanDerWaalsContact CA-O 3.24Å; C154-T223 WeakPolarHBondContact CA-O 3.28Å; T155-T223 PolarHBondContact N-O 3.36Å; T155-T223 PolarHBondContact O-N 2.77Å; T155-T223 PolarHBondContact OG1-O 3.13Å; T223-I275 WeakPolarHBondContact CA-O 3.3Å; T223-M276 HydrophobicContact CG2-CG 4.09Å
224C93.5Very high86.2Confident0 Ų046.6 Ų46.60%024%0.235CC..EExtended strand (participates in β ladder)trans-135.1163.5170.2-65.60000111.3Y113 W137 V151 C154 I275Y113-C224 HydrophobicContact CD1-CB 4.49Å; Y113-C224 HydrophobicContact CE1-CB 4.45Å; Y113-C224 VanDerWaalsContact CE1-SG 3.59Å; W137-C224 PolarHBondContact NE1-SG 3.13Å; W137-C224 VanDerWaalsContact NE1-SG 3.44Å; V151-C224 HydrophobicContact CG1-CB 4.32Å; C154-C224 HydrophobicContact CB-CB 4.14Å; C154-C224 WeakPolarHBondContact CB-SG 3.49Å; C154-C224 WeakPolarHBondContact SG-CB 3.46Å; C154-C224 CovalentContact SG-SG 2.03Å; C154-C224 PolarHBondContact SG-SG 2.97Å; C224-I275 HydrophobicContact CB-CG1 4.3Å; C224-I275 PolarHBondContact N-O 2.83Å; C224-I275 WeakPolarHBondContact O-CG1 3.03Å; C224-I275 PolarHBondContact O-N 3.31Å
225Q92.7Very high84.3Confident46 Ų4652 Ų5222%0.21527%0.273CS..EExtended strand (participates in β ladder)trans-107.6145.5166.7-69.5-179.2-32.300111H152 S153 I273 D274H152-Q225 VanDerWaalsContact CE1-CB 3.42Å; H152-Q225 WeakPolarHBondContact CE1-CB 2.96Å; H152-Q225 PolarHBondContact CE1-OE1 2.87Å; H152-Q225 PolarHBondContact N-O 2.91Å; H152-Q225 PolarHBondContact O-N 2.92Å; S153-Q225 VanDerWaalsContact CB-OE1 3.3Å; S153-Q225 PolarHBondContact OG-OE1 2.96Å; S153-Q225 VanDerWaalsContact OG-OE1 3.1Å; Q225-I273 CarbonylContact C-O 3.5Å; Q225-I273 VanDerWaalsContact CA-O 3.29Å; Q225-I273 WeakPolarHBondContact CA-O 3.29Å; Q225-D274 WeakPolarHBondContact CG-OD1 3.43Å; Q225-D274 PolarHBondContact NE2-OD1 2.65Å
226I91.1Very high82.8Confident1 Ų152.7 Ų52.71%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-119.1115.8175.9-57-65.1000109.6W137 M149 L150 V151 L228 D272 I273 I275W137-I226 HydrophobicContact CB-CD1 4.4Å; W137-I226 HydrophobicContact CG-CD1 4.29Å; M149-I226 HydrophobicContact CB-CG2 3.69Å; M149-I226 HydrophobicContact CG-CG2 4.49Å; L150-I226 CarbonylContact O-C 3.57Å; L150-I226 WeakPolarHBondContact O-CA 3.39Å; V151-I226 HydrophobicContact CB-CD1 4.12Å; V151-I226 HydrophobicContact CG1-CD1 4.27Å; V151-I226 HydrophobicContact CG2-CD1 3.62Å; I226-L228 HydrophobicContact CG2-CD2 4.05Å; I226-L228 HydrophobicContact CG2-CG 4.36Å; I226-D272 CarbonylContact O-C 3.47Å; I226-D272 VanDerWaalsContact O-CA 3.26Å; I226-D272 WeakPolarHBondContact O-CA 3.45Å; I226-I273 PolarHBondContact N-O 3.32Å; I226-I273 PolarHBondContact O-N 3.44Å; I226-I275 HydrophobicContact CD1-CD1 3.89Å; I226-I275 HydrophobicContact CG1-CD1 3.59Å; I226-I275 HydrophobicContact CG1-CG1 3.98Å
227R88.6Confident81.3Confident42 Ų4251.3 Ų51.316%0.15826%0.26CS..EExtended strand (participates in β ladder)trans-86.1115.5169.8-178.9165.6-63.6150.95.1110.4M149 L150 F243 D272M149-R227 CarbonylContact C-O 3.55Å; M149-R227 WeakPolarHBondContact CA-O 3.23Å; L150-R227 HydrophobicContact CB-CB 4.25Å; L150-R227 PolarHBondContact N-O 3.17Å; L150-R227 PolarHBondContact O-N 2.99Å; R227-F243 HydrophobicContact CG-CE1 4.46Å; R227-D272 WeakPolarHBondContact CA-OD1 3.36Å; R227-D272 WeakPolarHBondContact CB-OD1 3.43Å; R227-D272 WeakPolarHBondContact CG-OD1 3.44Å; R227-D272 IonicContact CZ-OD1 3.19Å; R227-D272 IonicContact CZ-OD2 2.83Å; R227-D272 IonicContact NE-OD1 3.2Å; R227-D272 PolarHBondContact NE-OD1 2.9Å; R227-D272 IonicContact NE-OD2 2.78Å; R227-D272 IonicContact NH2-OD1 2.65Å; R227-D272 IonicContact NH2-OD2 2.87Å; R227-D272 PolarHBondContact NH2-OD2 2.84Å
228L86.8Confident79.5Confident1 Ų155.8 Ų55.81%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-92.5134.3173-64.7177.4000110.9L108 P109 Y147 C148 M149 M203 I226 S270 T271 I273L108-L228 HydrophobicContact CD2-CD1 4.29Å; P109-L228 HydrophobicContact CB-CD1 4.2Å; P109-L228 HydrophobicContact CG-CD1 3.81Å; P109-L228 HydrophobicContact CG-CD2 4.37Å; Y147-L228 HydrophobicContact CD1-CB 4.33Å; C148-L228 WeakPolarHBondContact O-CA 3.11Å; M149-L228 HydrophobicContact CB-CD2 3.89Å; M203-L228 HydrophobicContact CE-CD2 4.23Å; M203-L228 HydrophobicContact SD-CD2 4.45Å; I226-L228 HydrophobicContact CG2-CD2 4.05Å; I226-L228 HydrophobicContact CG2-CG 4.36Å; L228-S270 VanDerWaalsContact O-CA 3.31Å; L228-S270 WeakPolarHBondContact O-CA 3.42Å; L228-T271 PolarHBondContact N-O 3.2Å; L228-T271 PolarHBondContact O-N 2.83Å; L228-T271 VanDerWaalsContact O-N 3.09Å; L228-I273 HydrophobicContact CD1-CD1 3.42Å; L228-I273 VanDerWaalsContact CD1-CD1 3.42Å; L228-I273 HydrophobicContact CD1-CG1 4.36Å; L228-I273 HydrophobicContact CG-CD1 4.23Å
229L84.1Confident77.8Confident4 Ų455.3 Ų55.32%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-122.2136.5172.3-69.1-178.2000110.1Y147 C148 C241 F243Y147-L229 CarbonylContact C-O 3.48Å; Y147-L229 VanDerWaalsContact CA-O 3.23Å; Y147-L229 WeakPolarHBondContact CA-O 3.42Å; C148-L229 PolarHBondContact N-O 3.28Å; C148-L229 PolarHBondContact O-N 2.62Å; L229-C241 HydrophobicContact CD1-CB 4.41Å; L229-F243 HydrophobicContact CB-CE1 4.33Å; L229-F243 HydrophobicContact CD1-CD1 3.24Å; L229-F243 HydrophobicContact CD1-CD2 4.31Å; L229-F243 HydrophobicContact CD1-CE1 3.19Å; L229-F243 HydrophobicContact CD1-CE2 4.27Å; L229-F243 HydrophobicContact CD1-CG 3.83Å; L229-F243 HydrophobicContact CD1-CZ 3.74Å; L229-F243 HydrophobicContact CG-CD1 3.93Å; L229-F243 HydrophobicContact CG-CE1 3.5Å; L229-F243 VanDerWaalsContact CG-CE1 3.5Å; L229-F243 HydrophobicContact CG-CZ 4.16Å
230I81.6Confident76.3Confident72 Ų7257.1 Ų57.137%0.36929%0.286SS..EExtended strand (participates in β ladder)trans-74.1127.3168.8-60.5170.6000108.5M146 Y147M146-I230 WeakPolarHBondContact O-CA 3.46Å; Y147-I230 HydrophobicContact CD1-CG1 3.98Å; Y147-I230 HydrophobicContact CE1-CD1 4.36Å; Y147-I230 HydrophobicContact CE1-CG1 3.44Å; Y147-I230 VanDerWaalsContact CE1-CG1 3.44Å
231K80.1Confident74.8Confident19 Ų1958 Ų588%0.08329%0.292CS..PPolyproline II helixtrans-64.4132.2174-82.9172.4167.5177.70109.9D145 M146 Y147 C148 D202 P239 C241D145-K231 VanDerWaalsContact C-CD 3.47Å; D145-K231 HydrophobicContact CB-CD 4.46Å; D145-K231 WeakPolarHBondContact O-CD 3.4Å; D145-K231 IonicContact OD1-NZ 2.74Å; D145-K231 PolarHBondContact OD1-NZ 2.85Å; M146-K231 WeakPolarHBondContact O-CB 3.45Å; M146-K231 PolarHBondContact O-N 3.05Å; Y147-K231 VanDerWaalsContact O-CE 3.29Å; Y147-K231 WeakPolarHBondContact O-CE 3.42Å; C148-K231 WeakPolarHBondContact SG-CE 3.34Å; C148-K231 VanDerWaalsContact SG-CG 3.54Å; D202-K231 VanDerWaalsContact CG-NZ 3.31Å; D202-K231 WeakPolarHBondContact OD2-CE 3.37Å; D202-K231 IonicContact OD2-NZ 2.74Å; D202-K231 PolarHBondContact OD2-NZ 2.78Å; K231-P239 HydrophobicContact CB-CB 3.66Å; K231-P239 HydrophobicContact CD-CB 4.14Å; K231-P239 HydrophobicContact CG-CB 4.08Å; K231-C241 VanDerWaalsContact CG-SG 3.53Å
232R71.1Confident73.4Confident104 Ų10459.6 Ų59.639%0.39231%0.308SS..EExtended strand (participates in β ladder)trans-98.4133173.4-69.9-176.6-174.8143.8-2.1110Q234 P239 P266R232-Q234 PolarHBondContact O-N 2.87Å; R232-P239 VanDerWaalsContact O-CA 3.32Å; R232-P239 WeakPolarHBondContact O-CA 3.35Å; R232-P266 PolarHBondContact NH2-O 3.46Å
233E64Low71.9Confident183 Ų18361.3 Ų61.386%0.85532%0.316SS*.EExtended strand (participates in β ladder)trans-63.3131.3165.5-85.9-179.1154.300109.9
234Q63.1Low69.9Low85 Ų8566 Ų6640%0.39735%0.346SS..EExtended strand (participates in β ladder)trans-110.1141.2163.8-69.3-170.124.900108R232 S236 H237R232-Q234 PolarHBondContact O-N 2.87Å; Q234-S236 PolarHBondContact O-N 2.79Å; Q234-H237 HydrophobicContact CB-CB 4.33Å; Q234-H237 PolarHBondContact O-N 2.88Å
235P53.5Low67.8Low138 Ų13870.9 Ų70.990%0.89638%0.38SS*.THydrogen-bonded Turntrans-64-1.1-170.422-32.1000115.2
236S57.1Low65.4Low98 Ų9873.2 Ų73.269%0.68539%0.394SS*.THydrogen-bonded Turntrans-148.75-177.9-33.60000114.4Q234Q234-S236 PolarHBondContact O-N 2.79Å
237H55.4Low62.7Low125 Ų12578.9 Ų78.958%0.57943%0.431SS*.EExtended strand (participates in β ladder)trans-142.5149.8-171.6-64.375.4000110.8Q234Q234-H237 HydrophobicContact CB-CB 4.33Å; Q234-H237 PolarHBondContact O-N 2.88Å
238K52.4Low60.7Low139 Ų13984 Ų8460%0.60445%0.451SS*.EExtended strand (participates in β ladder)trans-50.6140.1172.5-169.9178.8-177.7-169.10109.5I240K238-I240 WeakPolarHBondContact O-CG1 3.39Å; K238-I240 PolarHBondContact O-N 2.94Å
239P53.2Low58.4Low38 Ų3888.7 Ų88.725%0.24748%0.483CS..EExtended strand (participates in β ladder)trans-51.6127.9-178.7-20.723.6000112.2K231 R232K231-P239 HydrophobicContact CB-CB 3.66Å; K231-P239 HydrophobicContact CD-CB 4.14Å; K231-P239 HydrophobicContact CG-CB 4.08Å; R232-P239 VanDerWaalsContact O-CA 3.32Å; R232-P239 WeakPolarHBondContact O-CA 3.35Å
240I58.3Low56.2Low60 Ų6098.7 Ų98.731%0.30853%0.526SS..EExtended strand (participates in β ladder)trans-110.7135.1-173.2-49.6-177.6000110.1K238K238-I240 WeakPolarHBondContact O-CG1 3.39Å; K238-I240 PolarHBondContact O-N 2.94Å
241C63.2Low54.1Low19 Ų19105.7 Ų105.713%0.12855%0.548CS..  trans-91.9126.3166.3-69.50000111C148 L229 K231 F243C148-C241 HydrophobicContact CB-CB 3.56Å; C148-C241 WeakPolarHBondContact CB-SG 3.15Å; C148-C241 WeakPolarHBondContact SG-CB 3.36Å; C148-C241 CovalentContact SG-SG 2Å; C148-C241 PolarHBondContact SG-SG 2.78Å; L229-C241 HydrophobicContact CD1-CB 4.41Å; K231-C241 VanDerWaalsContact CG-SG 3.53Å; C241-F243 HydrophobicContact CB-CE2 3.96Å; C241-F243 HydrophobicContact CB-CZ 4.34Å
242S62.8Low51.9Low64 Ų64112.6 Ų112.645%0.44859%0.586SS.*  trans-11389.3178.8-58.80000108.7
243F63.8Low50.4Low43 Ų43113.9 Ų113.919%0.18960%0.6CS.*  trans-71.9133.2171.2-61.5-79.9000108.9C148 L150 R227 L229 C241 S245C148-F243 HydrophobicContact CB-CZ 4.2Å; L150-F243 HydrophobicContact CB-CD1 3.63Å; L150-F243 HydrophobicContact CB-CD2 4.47Å; L150-F243 HydrophobicContact CB-CE1 3.26Å; L150-F243 HydrophobicContact CB-CE2 4.18Å; L150-F243 HydrophobicContact CB-CG 4.23Å; L150-F243 HydrophobicContact CB-CZ 3.59Å; L150-F243 HydrophobicContact CD2-CB 4.26Å; L150-F243 HydrophobicContact CD2-CD1 3.66Å; L150-F243 HydrophobicContact CD2-CE1 4.22Å; L150-F243 HydrophobicContact CD2-CG 3.99Å; L150-F243 HydrophobicContact CG-CD1 4.21Å; L150-F243 HydrophobicContact CG-CE1 4.31Å; R227-F243 HydrophobicContact CG-CE1 4.46Å; L229-F243 HydrophobicContact CB-CE1 4.33Å; L229-F243 HydrophobicContact CD1-CD1 3.24Å; L229-F243 HydrophobicContact CD1-CD2 4.31Å; L229-F243 HydrophobicContact CD1-CE1 3.19Å; L229-F243 HydrophobicContact CD1-CE2 4.27Å; L229-F243 HydrophobicContact CD1-CG 3.83Å; L229-F243 HydrophobicContact CD1-CZ 3.74Å; L229-F243 HydrophobicContact CG-CD1 3.93Å; L229-F243 HydrophobicContact CG-CE1 3.5Å; L229-F243 VanDerWaalsContact CG-CE1 3.5Å; L229-F243 HydrophobicContact CG-CZ 4.16Å; C241-F243 HydrophobicContact CB-CE2 3.96Å; C241-F243 HydrophobicContact CB-CZ 4.34Å; F243-S245 PolarHBondContact O-N 2.74Å
244P52Low49Very low106 Ų106110.8 Ų110.869%0.68860%0.598SS**  trans-60.3115.5178.522.6-31.4000109.7
245S50Low47.6Very low102 Ų102117.3 Ų117.371%0.71362%0.62SS**  trans-84.4130.5168.763.90000108.8F243F243-S245 PolarHBondContact O-N 2.74Å
246N42Very low46.8Very low95 Ų95117.4 Ų117.451%0.50861%0.612SS.*  trans-64.1132.4177.6-155.4-2.2000108.9R248N246-R248 VanDerWaalsContact C-N 3.33Å; N246-R248 PolarHBondContact O-N 3.31Å
247P34.8Very low45.6Very low120 Ų120119.3 Ų119.378%0.77962%0.619SS**  trans-64.193.3173.325-34.6000109.5S249P247-S249 PolarHBondContact O-N 3.47Å; P247-S249 VanDerWaalsContact O-N 3.12Å
248R44.8Very low44.5Very low150 Ų150119.1 Ų119.157%0.56663%0.627SS**  trans-62.3116.6171.8-86.4-174.2169.4128.8-2.4109K174 N246K174-R248 VanDerWaalsContact CE-NH1 3.28Å; N246-R248 VanDerWaalsContact C-N 3.33Å; N246-R248 PolarHBondContact O-N 3.31Å
249S40.4Very low43.4Very low98 Ų98120.3 Ų120.369%0.68564%0.64SS**  trans23.8106.6153.9-165.60000116.7P247 R251P247-S249 PolarHBondContact O-N 3.47Å; P247-S249 VanDerWaalsContact O-N 3.12Å; S249-R251 VanDerWaalsContact C-N 3.26Å; S249-R251 PolarHBondContact O-N 2.92Å
250K36.7Very low42.4Very low215 Ų215123.5 Ų123.594%0.93566%0.663SS**  trans-56.484.5161.6-77.8178.8174.5175.40110.9
251R37.6Very low41Very low218 Ų218126.5 Ų126.582%0.82368%0.684SS**  trans-135.7125.2145.8-82-174.5-172.4142.93.4105.3S249S249-R251 VanDerWaalsContact C-N 3.26Å; S249-R251 PolarHBondContact O-N 2.92Å
252D33.9Very low39.8Very low165 Ų165132.1 Ų132.188%0.88272%0.718SS**SBendtrans86.577.8-173.5-51.1-24.7000115.7
253L40.4Very low38.3Very low130 Ų130135.3 Ų135.368%0.68173%0.73SS**  -178.572.9125-167.562.5000110.6R255 L256L253-R255 PolarHBondContact O-N 3.22Å; L253-R255 VanDerWaalsContact O-N 3.11Å; L253-L256 HydrophobicContact CD2-CB 4.42Å; L253-L256 HydrophobicContact CD2-CD1 4.03Å
254S33.3Very low36.8Very low118 Ų118137.5 Ų137.583%0.82576%0.756SS**  trans-76.379.1155.837.70000108.4
255R33.3Very low36.5Very low223 Ų223138 Ų13884%0.84275%0.751SS**  trans160.489.1158.6-91.5160-172.9-169.83.6108.9L253L253-R255 PolarHBondContact O-N 3.22Å; L253-R255 VanDerWaalsContact O-N 3.11Å
256L38Very low36Very low139 Ų139137.7 Ų137.773%0.72875%0.747SS**  trans-169.492.6144.2-98.7144.6000107.8L253 T258L253-L256 HydrophobicContact CD2-CB 4.42Å; L253-L256 HydrophobicContact CD2-CD1 4.03Å; L256-T258 PolarHBondContact O-N 3.48Å
257T30.6Very low36.3Very low138 Ų138141.1 Ų141.185%0.84777%0.765SS**  trans-62105.1159.340.70000109.4
258T32.4Very low37.2Very low121 Ų121137 Ų13774%0.74274%0.74SS**  trans-164.8131.8147.85.60000110.6L256 S260L256-T258 PolarHBondContact O-N 3.48Å; T258-S260 PolarHBondContact O-N 3.11Å
259N29.3Very low38.2Very low165 Ų165136.5 Ų136.588%0.88274%0.742SS**  trans-44.8116.1174.4-66.8-26.7000111.7
260S32.5Very low39.9Very low104 Ų104134.7 Ų134.773%0.72773%0.729SS**  trans-138.1100.2158.8-76.30000107.3T258 V262T258-S260 PolarHBondContact O-N 3.11Å; S260-V262 VanDerWaalsContact C-N 3.35Å; S260-V262 PolarHBondContact O-N 2.77Å
261T29.7Very low42.3Very low123 Ų123126 Ų12676%0.75569%0.694SS**  trans-51101.7158.843.40000107.5N263T261-N263 PolarHBondContact O-N 3.18Å
262V38.2Very low44.7Very low138 Ų138117.8 Ų117.884%0.83667%0.667SS**  trans-66.987.2165.21790000105.4S260 A264S260-V262 VanDerWaalsContact C-N 3.35Å; S260-V262 PolarHBondContact O-N 2.77Å; V262-A264 PolarHBondContact O-N 2.97Å
263N31.7Very low47.4Very low131 Ų131111 Ų11170%0.70163%0.63SS**  trans-58.3109.6164.4-74.7-18.4000105.7T261 I265T261-N263 PolarHBondContact O-N 3.18Å; N263-I265 PolarHBondContact O-N 3.2Å
264A31.1Very low49.9Very low88 Ų88105.6 Ų105.673%0.72760%0.602SS**  trans-49.8114.6169.600000107.4V262V262-A264 PolarHBondContact O-N 2.97Å
265I45.7Very low52.8Low116 Ų116100.6 Ų100.660%0.59557%0.566SS**  trans-57.9124.2177.7-61.3169.7000105.9N263 N267N263-I265 PolarHBondContact O-N 3.2Å; I265-N267 PolarHBondContact O-N 2.96Å
266P40.2Very low55.6Low97 Ų9791.5 Ų91.563%0.6353%0.533SS*.  trans-58.9128177.1-10.621.4000107.4R232 S268R232-P266 PolarHBondContact NH2-O 3.46Å; P266-S268 PolarHBondContact O-N 2.91Å
267N47.2Very low58.3Low166 Ų16685.2 Ų85.289%0.88850%0.501SS*.  trans-39.6102.3179.3-94.2-9.1000110.3I265 K269I265-N267 PolarHBondContact O-N 2.96Å; N267-K269 PolarHBondContact O-N 3.18Å
268S53.9Low61.2Low35 Ų3581.6 Ų81.625%0.24548%0.481CS..  trans-65117.216350.40000105.4P266 S270P266-S268 PolarHBondContact O-N 2.91Å; S268-S270 PolarHBondContact O-N 2.93Å
269K65.6Low64.1Low139 Ų13976.7 Ų76.760%0.60445%0.452SS*.  trans-54.2104.5176.2-160.5177.9-179.8-174.50107.2N105 N267N105-K269 PolarHBondContact OD1-NZ 3.46Å; N267-K269 PolarHBondContact O-N 3.18Å
270S77.5Confident67.1Low59 Ų5969 Ų6941%0.41341%0.411SS..EExtended strand (participates in β ladder)trans-101.3136.4178.960.80000108.6L228 S268L228-S270 VanDerWaalsContact O-CA 3.31Å; L228-S270 WeakPolarHBondContact O-CA 3.42Å; S268-S270 PolarHBondContact O-N 2.93Å
271T86.2Confident69.8Low34 Ų3466.5 Ų66.521%0.20939%0.389CS..EExtended strand (participates in β ladder)trans-119121.5179.2-55.50000108.7N49 L108 L228 I273N49-T271 VanDerWaalsContact ND2-CG2 3.34Å; N49-T271 WeakPolarHBondContact ND2-CG2 3.47Å; L108-T271 HydrophobicContact CD1-CG2 3.97Å; L108-T271 HydrophobicContact CD2-CG2 3.9Å; L228-T271 PolarHBondContact N-O 3.2Å; L228-T271 PolarHBondContact O-N 2.83Å; L228-T271 VanDerWaalsContact O-N 3.09Å; T271-I273 HydrophobicContact CG2-CG1 4.48Å
272D88.5Confident72.7Confident45 Ų4560.9 Ų60.924%0.24135%0.354CS..EExtended strand (participates in β ladder)trans-90.8139.4174.2-65.7-1000108.8N49 H152 I226 R227N49-D272 WeakPolarHBondContact CB-O 3.35Å; N49-D272 PolarHBondContact ND2-O 2.72Å; H152-D272 IonicContact CE1-OD2 3.42Å; H152-D272 PolarHBondContact CE1-OD2 3.36Å; H152-D272 IonicContact NE2-OD1 3.81Å; H152-D272 IonicContact NE2-OD2 2.67Å; I226-D272 CarbonylContact O-C 3.47Å; I226-D272 VanDerWaalsContact O-CA 3.26Å; I226-D272 WeakPolarHBondContact O-CA 3.45Å; R227-D272 WeakPolarHBondContact CA-OD1 3.36Å; R227-D272 WeakPolarHBondContact CB-OD1 3.43Å; R227-D272 WeakPolarHBondContact CG-OD1 3.44Å; R227-D272 IonicContact CZ-OD1 3.19Å; R227-D272 IonicContact CZ-OD2 2.83Å; R227-D272 IonicContact NE-OD1 3.2Å; R227-D272 PolarHBondContact NE-OD1 2.9Å; R227-D272 IonicContact NE-OD2 2.78Å; R227-D272 IonicContact NH2-OD1 2.65Å; R227-D272 IonicContact NH2-OD2 2.87Å; R227-D272 PolarHBondContact NH2-OD2 2.84Å
273I91Very high75Confident21 Ų2157.4 Ų57.411%0.10833%0.331CS..EExtended strand (participates in β ladder)trans-128.3132.5-179.2-59.5178.4000109.3Q225 I226 L228 T271 I275Q225-I273 CarbonylContact C-O 3.5Å; Q225-I273 VanDerWaalsContact CA-O 3.29Å; Q225-I273 WeakPolarHBondContact CA-O 3.29Å; I226-I273 PolarHBondContact N-O 3.32Å; I226-I273 PolarHBondContact O-N 3.44Å; L228-I273 HydrophobicContact CD1-CD1 3.42Å; L228-I273 VanDerWaalsContact CD1-CD1 3.42Å; L228-I273 HydrophobicContact CD1-CG1 4.36Å; L228-I273 HydrophobicContact CG-CD1 4.23Å; T271-I273 HydrophobicContact CG2-CG1 4.48Å; I273-I275 HydrophobicContact CG2-CG2 4.2Å
274D92.6Very high77.2Confident17 Ų1755.9 Ų55.99%0.09132%0.322CS..EExtended strand (participates in β ladder)trans-86.3133.9173.7-56.7-72.6000111.3M47 A48 N49 Q225M47-D274 HydrophobicContact CE-CB 4.31Å; A48-D274 VanDerWaalsContact CA-OD2 3.32Å; A48-D274 WeakPolarHBondContact CA-OD2 3.32Å; A48-D274 WeakPolarHBondContact CB-OD2 3.31Å; A48-D274 PolarHBondContact N-OD2 2.8Å; N49-D274 PolarHBondContact N-OD2 2.91Å; N49-D274 PolarHBondContact O-N 3.03Å; Q225-D274 WeakPolarHBondContact CG-OD1 3.43Å; Q225-D274 PolarHBondContact NE2-OD1 2.65Å
275I93.2Very high78.8Confident14 Ų1457.5 Ų57.57%0.07232%0.318CS..EExtended strand (participates in β ladder)trans-135.4146.2176.456.9164.4000111C111 Y113 W137 T223 C224 I226 I273C111-I275 HydrophobicContact CB-CG2 4.06Å; Y113-I275 HydrophobicContact CG-CD1 4.32Å; W137-I275 HydrophobicContact CG-CD1 4.49Å; T223-I275 WeakPolarHBondContact CA-O 3.3Å; C224-I275 HydrophobicContact CB-CG1 4.3Å; C224-I275 PolarHBondContact N-O 2.83Å; C224-I275 WeakPolarHBondContact O-CG1 3.03Å; C224-I275 PolarHBondContact O-N 3.31Å; I226-I275 HydrophobicContact CD1-CD1 3.89Å; I226-I275 HydrophobicContact CG1-CD1 3.59Å; I226-I275 HydrophobicContact CG1-CG1 3.98Å; I273-I275 HydrophobicContact CG2-CG2 4.2Å
276M93.3Very high79.4Confident31 Ų3157.9 Ų57.915%0.15332%0.322CS..EExtended strand (participates in β ladder)trans-124.7141-178.1-59176.4-155.900109.3Q45 M47 Q78 F222 T223Q45-M276 HydrophobicContact CB-CE 4.18Å; Q45-M276 VanDerWaalsContact CD-CE 3.46Å; Q45-M276 HydrophobicContact CG-CE 3.93Å; Q45-M276 PolarHBondContact OE1-SD 2.03Å; M47-M276 HydrophobicContact CG-CE 3.91Å; M47-M276 HydrophobicContact SD-CE 4.15Å; Q78-M276 PolarHBondContact NE2-SD 3.44Å; F222-M276 WeakPolarHBondContact O-CA 3.24Å; T223-M276 HydrophobicContact CG2-CG 4.09Å
277A93.9Very high79.9Confident7 Ų761.5 Ų61.56%0.05834%0.335CS..PPolyproline II helixtrans-85162.5169.300000110.7Y113 V115 F222Y113-A277 HydrophobicContact CD1-CB 3.77Å; Y113-A277 HydrophobicContact CD2-CB 4.22Å; Y113-A277 HydrophobicContact CE1-CB 3.98Å; Y113-A277 HydrophobicContact CE2-CB 4.36Å; Y113-A277 HydrophobicContact CG-CB 3.88Å; V115-A277 HydrophobicContact CG2-CB 3.94Å; F222-A277 HydrophobicContact CB-CB 4.13Å; F222-A277 PolarHBondContact O-N 2.67Å
278S91.4Very high80Confident62 Ų6260.2 Ų60.243%0.43432%0.324SS..PPolyproline II helixtrans-60.8141.1166-57.10000110.4
279P92.1Very high79.5Confident19 Ų1968.1 Ų68.112%0.12335%0.348CS..PPolyproline II helixtrans-71148.7179.826.9-30.6000111.3N76 Y221N76-P279 HydrophobicContact CB-CG 3.92Å; N76-P279 VanDerWaalsContact CG-CG 3.49Å; N76-P279 WeakPolarHBondContact ND2-CG 3.23Å; Y221-P279 HydrophobicContact CD1-CB 3.72Å; Y221-P279 HydrophobicContact CD1-CG 4.45Å; Y221-P279 HydrophobicContact CE1-CB 3.58Å; Y221-P279 HydrophobicContact CE1-CG 4.07Å; Y221-P279 HydrophobicContact CG-CB 4.49Å
280I92.3Very high78.6Confident3 Ų365.8 Ų65.82%0.01534%0.342CS..EExtended strand (participates in β ladder)trans-109.2122.5179.4-56-180000108.6V115 V124 I133 I211 H219 V220 F222 V282V115-I280 HydrophobicContact CB-CD1 4.24Å; V115-I280 HydrophobicContact CG1-CD1 3.81Å; V124-I280 HydrophobicContact CB-CD1 4.39Å; V124-I280 HydrophobicContact CG1-CD1 4.36Å; V124-I280 HydrophobicContact CG1-CG1 4.49Å; V124-I280 HydrophobicContact CG1-CG2 4.11Å; I133-I280 HydrophobicContact CD1-CD1 4.5Å; I211-I280 HydrophobicContact CD1-CG2 4.16Å; H219-I280 WeakPolarHBondContact CA-O 3.11Å; V220-I280 PolarHBondContact N-O 2.9Å; V220-I280 VanDerWaalsContact N-O 3.13Å; V220-I280 PolarHBondContact O-N 2.97Å; V220-I280 VanDerWaalsContact O-N 3.17Å; F222-I280 HydrophobicContact CE2-CD1 4Å; I280-V282 HydrophobicContact CG2-CG2 4.13Å; I280-V282 PolarHBondContact O-N 3.43Å
281L90.4Very high77Confident51 Ų5169 Ų6927%0.26736%0.355SS..EExtended strand (participates in β ladder)trans-74.6110.5165.4175.664.9000108.9S125 H126 G127 P218 L283S125-L281 PolarHBondContact O-N 2.91Å; H126-L281 CarbonylContact C-O 3.53Å; H126-L281 WeakPolarHBondContact CA-O 3.24Å; H126-L281 HydrophobicContact CB-CB 4Å; H126-L281 HydrophobicContact CB-CD2 4.43Å; H126-L281 HydrophobicContact CB-CG 4.5Å; G127-L281 PolarHBondContact N-O 2.84Å; P218-L281 HydrophobicContact CB-CD1 3.99Å; P218-L281 CarbonylContact O-C 3.57Å; P218-L281 WeakPolarHBondContact O-CA 3.41Å; P218-L281 WeakPolarHBondContact O-CD1 3.22Å; L281-L283 HydrophobicContact CD2-CD2 4.43Å; L281-L283 HydrophobicContact CG-CD2 4.37Å
282V91.1Very high75.1Confident5 Ų573.1 Ų73.13%0.0337%0.374CS..EExtended strand (participates in β ladder)trans-94.6115.4-179.8-171.50000109.5G127 V129 I211 K213 P218 V220 I280G127-V282 WeakPolarHBondContact O-CA 3.46Å; V129-V282 HydrophobicContact CG2-CG1 3.5Å; V129-V282 VanDerWaalsContact CG2-CG1 3.5Å; I211-V282 HydrophobicContact CG2-CB 4.18Å; I211-V282 HydrophobicContact CG2-CG1 3.57Å; I211-V282 HydrophobicContact CG2-CG2 3.65Å; K213-V282 HydrophobicContact CB-CB 3.89Å; K213-V282 HydrophobicContact CB-CG1 3.79Å; K213-V282 HydrophobicContact CB-CG2 4.19Å; K213-V282 HydrophobicContact CD-CB 4.33Å; K213-V282 HydrophobicContact CD-CG1 3.91Å; K213-V282 HydrophobicContact CG-CB 4.49Å; K213-V282 HydrophobicContact CG-CG1 3.96Å; P218-V282 PolarHBondContact O-N 3.39Å; V220-V282 HydrophobicContact CG2-CG2 4.07Å; I280-V282 HydrophobicContact CG2-CG2 4.13Å; I280-V282 PolarHBondContact O-N 3.43Å
283L86.8Confident72.8Confident65 Ų6576.7 Ų76.734%0.3440%0.397SS..EExtended strand (participates in β ladder)trans-81.6137.6172.1-57.4176.3000108.3G127 V129 L281G127-L283 PolarHBondContact O-N 3.22Å; V129-L283 PolarHBondContact N-O 2.83Å; L281-L283 HydrophobicContact CD2-CD2 4.43Å; L281-L283 HydrophobicContact CG-CD2 4.37Å
284D77.9Confident70.4Confident99 Ų9985.2 Ų85.253%0.52943%0.428SS..  trans-60.2151.9174.8-71.9-49.8000110.1K213 D286K213-D284 WeakPolarHBondContact CD-OD1 3.07Å; K213-D284 WeakPolarHBondContact CE-OD1 3.38Å; K213-D284 IonicContact NZ-OD1 3.57Å; K213-D284 PolarHBondContact NZ-OD1 2.85Å; K213-D284 IonicContact NZ-OD2 3.31Å; K213-D284 PolarHBondContact NZ-OD2 2.96Å; D284-D286 PolarHBondContact O-N 3.15Å
285L64.1Low67.7Low123 Ų12387 Ų8764%0.64445%0.451SS*.  trans-52.4113.9162.5-79.6138.8000106V129 L287V129-L285 HydrophobicContact CB-CD1 4.06Å; V129-L285 HydrophobicContact CB-CG 4.18Å; V129-L285 HydrophobicContact CG1-CD1 4.06Å; L285-L287 PolarHBondContact O-N 3.02Å
286D58.1Low65.3Low124 Ų12493.8 Ų93.866%0.66349%0.486SS*.  trans-45.2109173.8-81.9-40.8000106.6D284 Q288D284-D286 PolarHBondContact O-N 3.15Å; D286-Q288 WeakPolarHBondContact O-CA 3.34Å; D286-Q288 PolarHBondContact O-N 2.86Å
287L50.3Low62.5Low173 Ų17396.8 Ų96.891%0.90651%0.51SS*.  trans-55.7102.2168.9-93.2167.3000103.8L285 R289L285-L287 PolarHBondContact O-N 3.02Å; L287-R289 PolarHBondContact O-N 3.02Å
288Q50.4Low59.6Low139 Ų139107.2 Ų107.265%0.6555%0.548SS*.  trans-46106.7-160.9-108.4-173.2-35.500109.4D286 D290 N291D286-Q288 WeakPolarHBondContact O-CA 3.34Å; D286-Q288 PolarHBondContact O-N 2.86Å; Q288-D290 HydrophobicContact CB-CB 4.17Å; Q288-D290 VanDerWaalsContact CD-OD2 3.31Å; Q288-D290 HydrophobicContact CG-CB 4.29Å; Q288-D290 WeakPolarHBondContact CG-OD2 3.17Å; Q288-D290 PolarHBondContact NE2-OD2 2.93Å; Q288-D290 PolarHBondContact O-N 2.82Å; Q288-N291 PolarHBondContact O-N 3.24Å
289R43.6Very low56.7Low200 Ų200109.7 Ų109.776%0.75557%0.565SS**THydrogen-bonded Turntrans-59.3-0.3167.5-143.6175.5-168.6117.30.1111.4L287 N291L287-R289 PolarHBondContact O-N 3.02Å; R289-N291 PolarHBondContact O-N 3.36Å
290D45.1Very low53.9Low91 Ų91114 Ų11449%0.48760%0.596SS.*THydrogen-bonded Turntrans-70.6-10.2176.6-68.4-26.3000114.4Q288Q288-D290 HydrophobicContact CB-CB 4.17Å; Q288-D290 VanDerWaalsContact CD-OD2 3.31Å; Q288-D290 HydrophobicContact CG-CB 4.29Å; Q288-D290 WeakPolarHBondContact CG-OD2 3.17Å; Q288-D290 PolarHBondContact NE2-OD2 2.93Å; Q288-D290 PolarHBondContact O-N 2.82Å
291N43.9Very low51.2Low127 Ų127118.7 Ų118.768%0.67964%0.636SS**THydrogen-bonded Turntrans-106.7-15.3174.2-76-20.3000115.5Q288 R289 G295Q288-N291 PolarHBondContact O-N 3.24Å; R289-N291 PolarHBondContact O-N 3.36Å; N291-G295 PolarHBondContact O-N 3.04Å; N291-G295 VanDerWaalsContact O-N 3.13Å
292I46.1Very low48.5Very low119 Ų119125.2 Ų125.261%0.6167%0.665SS**Hα-helixtrans-85-31.6-178.7-61.7178.6000111.5R294 G295 L296I292-R294 VanDerWaalsContact C-N 3.34Å; I292-G295 PolarHBondContact O-N 3.15Å; I292-L296 HydrophobicContact CG2-CD1 4.48Å
293V41.6Very low45.7Very low120 Ų120131.8 Ų131.873%0.72771%0.705SS**Hα-helixtrans-75.7-23.6176.2-176.50000112.1
294R40.2Very low43Very low200 Ų200136.4 Ų136.476%0.75573%0.725SS**Hα-helixtrans-91.2-13.9172.3-75.7-177.3168.8135-2.8114.1I292I292-R294 VanDerWaalsContact C-N 3.34Å
295G36Very low40.6Very low55 Ų55139.1 Ų139.157%0.56774%0.736SS**Hα-helixtrans-87.1-15.8-179.500000115.2N291 I292 S297N291-G295 PolarHBondContact O-N 3.04Å; N291-G295 VanDerWaalsContact O-N 3.13Å; I292-G295 PolarHBondContact O-N 3.15Å; G295-S297 VanDerWaalsContact C-N 3.32Å
296L42.4Very low39.1Very low157 Ų157140.8 Ų140.882%0.82274%0.744SS**THydrogen-bonded Turntrans-88.12177.8-75.7158.9000113.6I292I292-L296 HydrophobicContact CG2-CD1 4.48Å
297S34.1Very low37.6Very low94 Ų94139.5 Ų139.566%0.65775%0.745SS**THydrogen-bonded Turntrans-122.639.8177.860.60000113G295G295-S297 VanDerWaalsContact C-N 3.32Å
298R34.7Very low36.5Very low225 Ų225135.5 Ų135.585%0.84974%0.736SS**  trans-154.180.7160.4-137.5169.8-178.9165.1-1.7112
299S30.7Very low35.4Very low114 Ų114138.2 Ų138.280%0.79775%0.749SS**  trans-69.5142.3154.4173.80000109
300S31.6Very low34.8Very low111 Ų111136.2 Ų136.278%0.77675%0.749SS**  trans93.6130.6167.777.20000119
301A36.7Very low33.9Very low101 Ų101143.6 Ų143.684%0.83577%0.771SS**  trans101.898.8165.800000117
302E32.7Very low33.4Very low188 Ų188142.3 Ų142.388%0.87977%0.768SS**  trans-49.3148.3158.7-66.6160.7130.600112.5
303T33.9Very low32.7Very low143 Ų143141.9 Ų141.988%0.87778%0.776SS**  174.4138.9119.6-65.80000109.6
304E28.2Very low32.6Very low162 Ų162145.4 Ų145.476%0.75778%0.784SS**  trans-66.4156.9-176.4-67.3179.4132.700116.6
305M27.6Very low32.5Very low155 Ų155146.9 Ų146.976%0.76479%0.79SS**  trans59.6126.1150.8-75.8-174.3-72.800120.4
306I33Very low32.6Very low158 Ų158154.2 Ų154.281%0.8181%0.806SS**  179.9131.3113.8-86.5154.8000110.9
307S27.2Very low32.3Very low98 Ų98155.8 Ų155.869%0.68581%0.806SS**  trans26.6132.8154.573.40000124.1
308A27.5Very low32.9Very low88 Ų88160 Ų16073%0.72782%0.816SS**  41.2140.2120.800000121.6
309E27.8Very low33.6Very low196 Ų196155.4 Ų155.492%0.91681%0.813SS**  trans78.7115.9173.5-57.4176148.800112.2
310E31Very low35.1Very low159 Ų159155.4 Ų155.474%0.74381%0.808SS**  -170.2118.960.9-177.4158-17200109.5T312E310-T312 HydrophobicContact CG-CG2 3.65Å; E310-T312 PolarHBondContact O-N 2.79Å; E310-T312 WeakPolarHBondContact OE1-CG2 3.36Å
311Y25.2Very low36.8Very low246 Ų246156.2 Ų156.297%0.96581%0.812SS**  trans-97.970.5173.6-145.6-91.4000108.8S313Y311-S313 PolarHBondContact O-N 2.8Å
312T34.5Very low38.6Very low99 Ų99156.1 Ų156.161%0.60780%0.795SS**  trans-83.3107.317341.50000111E310 Q314E310-T312 HydrophobicContact CG-CG2 3.65Å; E310-T312 PolarHBondContact O-N 2.79Å; E310-T312 WeakPolarHBondContact OE1-CG2 3.36Å; T312-Q314 PolarHBondContact O-N 3.12Å; T312-Q314 VanDerWaalsContact O-N 3.12Å
313S31.4Very low40.8Very low111 Ų111154.2 Ų154.278%0.77679%0.788SS**  trans-2.193.3151.7-164.80000115.9Y311 R315Y311-S313 PolarHBondContact O-N 2.8Å; S313-R315 PolarHBondContact O-N 2.81Å; S313-R315 VanDerWaalsContact O-N 3.12Å
314Q38.3Very low43.1Very low194 Ų194152.2 Ų152.291%0.90778%0.778SS**  trans-78.991.9163.2-107.2-169.2-32.400109.4T312 K316T312-Q314 PolarHBondContact O-N 3.12Å; T312-Q314 VanDerWaalsContact O-N 3.12Å; Q314-K316 PolarHBondContact O-N 2.9Å; Q314-K316 VanDerWaalsContact O-N 3.12Å
315R37.7Very low45.8Very low231 Ų231151.1 Ų151.187%0.87278%0.776SS**  trans-55.9112.8160.8-131.5-178.9-165.7-174.84.1107.8S313 K317S313-R315 PolarHBondContact O-N 2.81Å; S313-R315 VanDerWaalsContact O-N 3.12Å; R315-K317 PolarHBondContact O-N 3.13Å
316K37.6Very low48.5Very low209 Ų209146.9 Ų146.991%0.90976%0.759SS**  trans-53.4101.3173.9-153.6174.7-172.6177.70108Q314 Q318Q314-K316 PolarHBondContact O-N 2.9Å; Q314-K316 VanDerWaalsContact O-N 3.12Å; K316-Q318 PolarHBondContact O-N 3.33Å; K316-Q318 VanDerWaalsContact O-N 3.09Å
317K37.5Very low51.1Low190 Ų190144.6 Ų144.683%0.82674%0.743SS**  trans-62.4112.2170.5-100.4178.2176175.30106.3R315 T319R315-K317 PolarHBondContact O-N 3.13Å; K317-T319 VanDerWaalsContact C-N 3.33Å; K317-T319 PolarHBondContact O-N 3.31Å; K317-T319 PolarHBondContact O-OG1 3.1Å
318Q46.9Very low54Low183 Ų183143.3 Ų143.386%0.85573%0.732SS**  trans-70.892.9174.8-158.5170.35.300107.4K316 V320K316-Q318 PolarHBondContact O-N 3.33Å; K316-Q318 VanDerWaalsContact O-N 3.09Å; Q318-V320 PolarHBondContact O-N 2.62Å
319T48.7Very low57.1Low128 Ų128143.9 Ų143.979%0.78573%0.726SS**  trans-74.4104.5175.7-2.80000108.2K317K317-T319 VanDerWaalsContact C-N 3.33Å; K317-T319 PolarHBondContact O-N 3.31Å; K317-T319 PolarHBondContact O-OG1 3.1Å
320V62.2Low60.1Low114 Ų114140.5 Ų140.569%0.69171%0.708SS**  trans-84.7111.2172.7-177.60000108Q318 M322Q318-V320 PolarHBondContact O-N 2.62Å; V320-M322 HydrophobicContact CG1-CG 4.15Å; V320-M322 PolarHBondContact O-N 3.45Å
321C67.5Low63Low128 Ų128137.2 Ų137.287%0.86570%0.695SS**  trans-83.6110.2173.7-63.70000109.3
322M73.5Confident66.3Low99 Ų99129.3 Ų129.349%0.48867%0.673SS.*  trans-111.9143.2169.3-75.7-172.169.200110.3V320 T326V320-M322 HydrophobicContact CG1-CG 4.15Å; V320-M322 PolarHBondContact O-N 3.45Å; M322-T326 VanDerWaalsContact CE-CB 3.49Å; M322-T326 VanDerWaalsContact CE-OG1 3.24Å; M322-T326 WeakPolarHBondContact CE-OG1 3.16Å
323M79Confident69.1Low147 Ų147126.6 Ų126.672%0.72467%0.665SS**  trans-60146.4172.1-71.1-66.6-164.500110.3L325 T326 F327M323-L325 PolarHBondContact O-N 2.82Å; M323-L325 VanDerWaalsContact O-N 3.12Å; M323-T326 PolarHBondContact O-N 3.45Å; M323-T326 VanDerWaalsContact O-N 3.09Å; M323-T326 PolarHBondContact O-OG1 2.82Å; M323-F327 PolarHBondContact O-N 2.79Å
324P83.4Confident72.1Confident102 Ų102125.6 Ų125.666%0.66265%0.649SS**Hα-helixtrans-55-38.4-174.4-24.832000113.5F327 T328P324-F327 PolarHBondContact O-N 3.03Å; P324-T328 WeakPolarHBondContact O-CG2 2.92Å; P324-T328 PolarHBondContact O-N 2.87Å; P324-T328 VanDerWaalsContact O-N 3.11Å; P324-T328 PolarHBondContact O-OG1 2.83Å
325L84.1Confident74.7Confident138 Ų138119 Ų11972%0.72362%0.624SS**Hα-helixtrans-63.5-45.5179.4-76.4161.2000112.3M323 F327 T328 V329M323-L325 PolarHBondContact O-N 2.82Å; M323-L325 VanDerWaalsContact O-N 3.12Å; L325-F327 VanDerWaalsContact C-N 3.32Å; L325-F327 PolarHBondContact O-N 2.63Å; L325-T328 PolarHBondContact O-N 2.79Å; L325-T328 PolarHBondContact O-OG1 2.84Å; L325-V329 WeakPolarHBondContact O-CG2 3.37Å; L325-V329 PolarHBondContact O-N 2.81Å; L325-V329 VanDerWaalsContact O-N 3.11Å
326T84.9Confident77.5Confident66 Ų66112.2 Ų112.241%0.40561%0.608SS.*Hα-helixtrans-70.5-33-177.455.80000111.6M322 M323 F330M322-T326 VanDerWaalsContact CE-CB 3.49Å; M322-T326 VanDerWaalsContact CE-OG1 3.24Å; M322-T326 WeakPolarHBondContact CE-OG1 3.16Å; M323-T326 PolarHBondContact O-N 3.45Å; M323-T326 VanDerWaalsContact O-N 3.09Å; M323-T326 PolarHBondContact O-OG1 2.82Å; T326-F330 WeakPolarHBondContact O-CB 3.26Å; T326-F330 PolarHBondContact O-N 2.04Å
327F87.3Confident80.2Confident110 Ų110107 Ų10748%0.48259%0.59SS.*Hα-helixtrans-64.6-43.2173-175.2-108.5000112.2M323 P324 L325 F330 L331M323-F327 PolarHBondContact O-N 2.79Å; P324-F327 PolarHBondContact O-N 3.03Å; L325-F327 VanDerWaalsContact C-N 3.32Å; L325-F327 PolarHBondContact O-N 2.63Å; F327-F330 PolarHBondContact O-N 3.18Å; F327-L331 HydrophobicContact CD1-CD1 3.89Å; F327-L331 HydrophobicContact CE1-CD1 3.35Å; F327-L331 HydrophobicContact CE1-CG 4.16Å; F327-L331 HydrophobicContact CE2-CD1 4.43Å; F327-L331 HydrophobicContact CE2-CG 4.44Å; F327-L331 HydrophobicContact CZ-CD1 3.66Å; F327-L331 HydrophobicContact CZ-CD2 4.35Å; F327-L331 HydrophobicContact CZ-CG 4.11Å; F327-L331 PolarHBondContact O-N 2.64Å
328T89Confident82.9Confident72 Ų72101.6 Ų101.644%0.44257%0.573SS.*Hα-helixtrans-63.9-41.8176.857.50000112.7P324 L325 F330 L331 T332P324-T328 WeakPolarHBondContact O-CG2 2.92Å; P324-T328 PolarHBondContact O-N 2.87Å; P324-T328 VanDerWaalsContact O-N 3.11Å; P324-T328 PolarHBondContact O-OG1 2.83Å; L325-T328 PolarHBondContact O-N 2.79Å; L325-T328 PolarHBondContact O-OG1 2.84Å; T328-F330 VanDerWaalsContact C-N 3.31Å; T328-F330 PolarHBondContact O-N 2.84Å; T328-L331 PolarHBondContact O-N 3.14Å; T328-T332 WeakPolarHBondContact O-CG2 3.13Å; T328-T332 PolarHBondContact O-N 2.86Å; T328-T332 PolarHBondContact O-OG1 3.06Å
329V92.5Very high85.2Confident99 Ų9997.9 Ų97.960%0.656%0.558SS**Hα-helixtrans-63.2-38.5176.3173.70000111.6L325 T332 G333L325-V329 WeakPolarHBondContact O-CG2 3.37Å; L325-V329 PolarHBondContact O-N 2.81Å; L325-V329 VanDerWaalsContact O-N 3.11Å; V329-T332 WeakPolarHBondContact CA-OG1 3.47Å; V329-T332 PolarHBondContact O-OG1 2.86Å; V329-G333 PolarHBondContact O-N 2.85Å
330F90.6Very high87.4Confident125 Ų12594.9 Ų94.955%0.54854%0.54SS..Hα-helixtrans-65.7-46177.1-175-96.7000111.8T326 F327 T328 G333 M334T326-F330 WeakPolarHBondContact O-CB 3.26Å; T326-F330 PolarHBondContact O-N 2.04Å; F327-F330 PolarHBondContact O-N 3.18Å; T328-F330 VanDerWaalsContact C-N 3.31Å; T328-F330 PolarHBondContact O-N 2.84Å; F330-G333 PolarHBondContact O-N 2.83Å; F330-M334 HydrophobicContact CD1-CG 4.23Å; F330-M334 HydrophobicContact CE1-CG 3.84Å; F330-M334 HydrophobicContact CE2-CG 4.46Å; F330-M334 HydrophobicContact CZ-CG 3.96Å; F330-M334 HydrophobicContact CZ-SD 4.29Å; F330-M334 WeakPolarHBondContact O-CG 3.33Å; F330-M334 PolarHBondContact O-N 2.89Å
331L91.9Very high88.9Confident90 Ų9094.4 Ų94.447%0.47153%0.533SS..Hα-helixtrans-63.5-41.9177.9-72.7179000112.3F327 T328 M334 S335F327-L331 HydrophobicContact CD1-CD1 3.89Å; F327-L331 HydrophobicContact CE1-CD1 3.35Å; F327-L331 HydrophobicContact CE1-CG 4.16Å; F327-L331 HydrophobicContact CE2-CD1 4.43Å; F327-L331 HydrophobicContact CE2-CG 4.44Å; F327-L331 HydrophobicContact CZ-CD1 3.66Å; F327-L331 HydrophobicContact CZ-CD2 4.35Å; F327-L331 HydrophobicContact CZ-CG 4.11Å; F327-L331 PolarHBondContact O-N 2.64Å; T328-L331 PolarHBondContact O-N 3.14Å; L331-M334 PolarHBondContact O-N 2.99Å; L331-S335 WeakPolarHBondContact O-CB 3.08Å; L331-S335 PolarHBondContact O-N 3.31Å
332T93.5Very high90.2Very high81 Ų8194.4 Ų94.450%0.49752%0.523SS..Hα-helixtrans-66-42.8176.856.20000111T328 V329 M334 S335 V336T328-T332 WeakPolarHBondContact O-CG2 3.13Å; T328-T332 PolarHBondContact O-N 2.86Å; T328-T332 PolarHBondContact O-OG1 3.06Å; V329-T332 WeakPolarHBondContact CA-OG1 3.47Å; V329-T332 PolarHBondContact O-OG1 2.86Å; T332-M334 PolarHBondContact O-N 3.11Å; T332-S335 PolarHBondContact O-N 2.97Å; T332-S335 PolarHBondContact O-OG 2Å; T332-V336 WeakPolarHBondContact O-CG2 2.99Å; T332-V336 PolarHBondContact O-N 2.89Å
333G93.7Very high91.1Very high42 Ų4295 Ų9543%0.43353%0.528SS..Hα-helixtrans-57.6-46.5174.900000113V329 F330 S335 V336 L337V329-G333 PolarHBondContact O-N 2.85Å; F330-G333 PolarHBondContact O-N 2.83Å; G333-S335 VanDerWaalsContact C-N 3.35Å; G333-S335 PolarHBondContact O-N 2.78Å; G333-V336 PolarHBondContact O-N 2.88Å; G333-L337 PolarHBondContact O-N 3.39Å
334M94.2Very high91.7Very high90 Ų9093.7 Ų93.744%0.44352%0.523SS..Hα-helixtrans-65.6-36.3177-70-59.2-65.900112.5F330 L331 T332 L337 T338F330-M334 HydrophobicContact CD1-CG 4.23Å; F330-M334 HydrophobicContact CE1-CG 3.84Å; F330-M334 HydrophobicContact CE2-CG 4.46Å; F330-M334 HydrophobicContact CZ-CG 3.96Å; F330-M334 HydrophobicContact CZ-SD 4.29Å; F330-M334 WeakPolarHBondContact O-CG 3.33Å; F330-M334 PolarHBondContact O-N 2.89Å; L331-M334 PolarHBondContact O-N 2.99Å; T332-M334 PolarHBondContact O-N 3.11Å; M334-L337 PolarHBondContact O-N 2.79Å; M334-T338 WeakPolarHBondContact O-CG2 2.89Å; M334-T338 PolarHBondContact O-N 2.96Å; M334-T338 PolarHBondContact O-OG1 3.26Å
335S93.5Very high92.1Very high54 Ų5492 Ų9238%0.37851%0.51SS..Hα-helixtrans-65.8-40.8176.175.90000112.4L331 T332 G333 T338 L339L331-S335 WeakPolarHBondContact O-CB 3.08Å; L331-S335 PolarHBondContact O-N 3.31Å; T332-S335 PolarHBondContact O-N 2.97Å; T332-S335 PolarHBondContact O-OG 2Å; G333-S335 VanDerWaalsContact C-N 3.35Å; G333-S335 PolarHBondContact O-N 2.78Å; S335-T338 WeakPolarHBondContact CA-OG1 3.26Å; S335-T338 PolarHBondContact O-N 3.22Å; S335-T338 PolarHBondContact O-OG1 3.46Å; S335-L339 WeakPolarHBondContact O-CB 3.43Å; S335-L339 PolarHBondContact O-N 2.82Å
336V95.7Very high92.3Very high89 Ų8987.1 Ų87.154%0.53949%0.493SS..Hα-helixtrans-67.5-42177.5174.20000110.4T332 G333 T338 L339 T340T332-V336 WeakPolarHBondContact O-CG2 2.99Å; T332-V336 PolarHBondContact O-N 2.89Å; G333-V336 PolarHBondContact O-N 2.88Å; V336-T338 VanDerWaalsContact C-N 3.34Å; V336-T338 PolarHBondContact O-N 3.3Å; V336-L339 PolarHBondContact O-N 3.49Å; V336-T340 HydrophobicContact CG1-CG2 4.38Å; V336-T340 WeakPolarHBondContact O-CG2 2.99Å; V336-T340 PolarHBondContact O-N 3.37Å; V336-T340 PolarHBondContact O-OG1 3.44Å
337L95.1Very high92.5Very high101 Ų10190.2 Ų90.253%0.52950%0.498SS..Hα-helixtrans-62.8-40.6178.3-160.492.1000112.2G333 M334 T340 L341G333-L337 PolarHBondContact O-N 3.39Å; M334-L337 PolarHBondContact O-N 2.79Å; L337-T340 PolarHBondContact O-OG1 2.74Å; L337-L341 WeakPolarHBondContact O-CB 3.4Å; L337-L341 PolarHBondContact O-N 3.1Å; L337-L341 VanDerWaalsContact O-N 3.09Å
338T94.2Very high92.2Very high76 Ų7687.4 Ų87.447%0.46649%0.492SS..Hα-helixtrans-69.8-40178.448.30000111.8M334 S335 V336 L341 L342M334-T338 WeakPolarHBondContact O-CG2 2.89Å; M334-T338 PolarHBondContact O-N 2.96Å; M334-T338 PolarHBondContact O-OG1 3.26Å; S335-T338 WeakPolarHBondContact CA-OG1 3.26Å; S335-T338 PolarHBondContact O-N 3.22Å; S335-T338 PolarHBondContact O-OG1 3.46Å; V336-T338 VanDerWaalsContact C-N 3.34Å; V336-T338 PolarHBondContact O-N 3.3Å; T338-L341 PolarHBondContact O-N 3.09Å; T338-L342 WeakPolarHBondContact O-CG 3.29Å; T338-L342 PolarHBondContact O-N 2.85Å
339L95Very high91.8Very high104 Ų10489.5 Ų89.555%0.54550%0.501SS..Hα-helixtrans-62.6-44.2173.7-101.7134.7000112.7S335 V336 L341 L342 I343S335-L339 WeakPolarHBondContact O-CB 3.43Å; S335-L339 PolarHBondContact O-N 2.82Å; V336-L339 PolarHBondContact O-N 3.49Å; L339-L341 VanDerWaalsContact C-N 3.31Å; L339-L341 PolarHBondContact O-N 3.2Å; L339-L342 PolarHBondContact O-N 2.82Å; L339-I343 VanDerWaalsContact O-CG1 3.28Å; L339-I343 WeakPolarHBondContact O-CG1 3.34Å; L339-I343 PolarHBondContact O-N 3Å
340T94.5Very high91Very high66 Ų6693.2 Ų93.241%0.40551%0.509SS..Hα-helixtrans-64.5-38.9177.954.60000111.4V336 L337 I343 L344V336-T340 HydrophobicContact CG1-CG2 4.38Å; V336-T340 WeakPolarHBondContact O-CG2 2.99Å; V336-T340 PolarHBondContact O-N 3.37Å; V336-T340 PolarHBondContact O-OG1 3.44Å; L337-T340 PolarHBondContact O-OG1 2.74Å; T340-I343 PolarHBondContact O-N 3.19Å; T340-L344 VanDerWaalsContact O-CG 3.31Å; T340-L344 WeakPolarHBondContact O-CG 3.29Å; T340-L344 PolarHBondContact O-N 2.84Å
341L94.5Very high90.2Very high104 Ų10496.2 Ų96.255%0.54552%0.516SS..Hα-helixtrans-66.5-40.6177.4-146.1136.1000111.7L337 T338 L339 L344 V345L337-L341 WeakPolarHBondContact O-CB 3.4Å; L337-L341 PolarHBondContact O-N 3.1Å; L337-L341 VanDerWaalsContact O-N 3.09Å; T338-L341 PolarHBondContact O-N 3.09Å; L339-L341 VanDerWaalsContact C-N 3.31Å; L339-L341 PolarHBondContact O-N 3.2Å; L341-L344 PolarHBondContact O-N 3.18Å; L341-V345 HydrophobicContact CD2-CG2 4.31Å; L341-V345 VanDerWaalsContact O-CG2 3.29Å; L341-V345 WeakPolarHBondContact O-CG2 3.32Å; L341-V345 PolarHBondContact O-N 2.77Å
342L93.7Very high88.9Confident127 Ų12799.3 Ų99.367%0.66553%0.528SS*.Hα-helixtrans-63.4-40.2173.6-74171.5000112.4T338 L339 V345 G346T338-L342 WeakPolarHBondContact O-CG 3.29Å; T338-L342 PolarHBondContact O-N 2.85Å; L339-L342 PolarHBondContact O-N 2.82Å; L342-V345 PolarHBondContact O-N 2.96Å; L342-G346 PolarHBondContact O-N 3.01Å
343I93.5Very high87.1Confident113 Ų113100.1 Ų100.158%0.57954%0.536SS*.Hα-helixtrans-64.8-42.6175.4-68.1165.1000110.5L339 T340 G346 Y347L339-I343 VanDerWaalsContact O-CG1 3.28Å; L339-I343 WeakPolarHBondContact O-CG1 3.34Å; L339-I343 PolarHBondContact O-N 3Å; T340-I343 PolarHBondContact O-N 3.19Å; I343-G346 PolarHBondContact O-N 2.8Å; I343-Y347 VanDerWaalsContact O-CB 3.31Å; I343-Y347 WeakPolarHBondContact O-CB 3.31Å; I343-Y347 PolarHBondContact O-N 2.84Å
344L91.9Very high85Confident118 Ų118103 Ų10362%0.61855%0.547SS*.Hα-helixtrans-64.8-40.2177.7-73.1171.8000112.2T340 L341 Y347 S348T340-L344 VanDerWaalsContact O-CG 3.31Å; T340-L344 WeakPolarHBondContact O-CG 3.29Å; T340-L344 PolarHBondContact O-N 2.84Å; L341-L344 PolarHBondContact O-N 3.18Å; L344-Y347 PolarHBondContact O-N 2.82Å; L344-S348 WeakPolarHBondContact O-CB 3.15Å; L344-S348 PolarHBondContact O-N 2.87Å; L344-S348 PolarHBondContact O-OG 3.07Å
345V91Very high82.8Confident67 Ų67107.3 Ų107.341%0.40657%0.571SS.*Hα-helixtrans-67.6-42.3174.4173.20000110.8L341 L342 Y347 S348 L349L341-V345 HydrophobicContact CD2-CG2 4.31Å; L341-V345 VanDerWaalsContact O-CG2 3.29Å; L341-V345 WeakPolarHBondContact O-CG2 3.32Å; L341-V345 PolarHBondContact O-N 2.77Å; L342-V345 PolarHBondContact O-N 2.96Å; V345-Y347 VanDerWaalsContact C-N 3.32Å; V345-Y347 PolarHBondContact O-N 2.82Å; V345-S348 WeakPolarHBondContact CA-OG 3.47Å; V345-S348 PolarHBondContact O-N 2.77Å; V345-S348 PolarHBondContact O-OG 3.22Å; V345-L349 HydrophobicContact CG1-CD1 4.03Å; V345-L349 HydrophobicContact CG1-CG 4.41Å; V345-L349 WeakPolarHBondContact O-CB 3.23Å; V345-L349 VanDerWaalsContact O-CG 3.28Å; V345-L349 WeakPolarHBondContact O-CG 3.44Å; V345-L349 PolarHBondContact O-N 2.75Å
346G89.2Confident80.5Confident35 Ų35113.5 Ų113.536%0.36159%0.594SS.*Hα-helixtrans-59.6-43.6173.600000111.8L342 I343 L349 F350L342-G346 PolarHBondContact O-N 3.01Å; I343-G346 PolarHBondContact O-N 2.8Å; G346-L349 PolarHBondContact O-N 2.86Å; G346-F350 WeakPolarHBondContact O-CB 3.43Å; G346-F350 PolarHBondContact O-N 2.99Å
347Y88Confident77.9Confident131 Ų131113.7 Ų113.751%0.51461%0.605SS.*Hα-helixtrans-66.6-39177.6-170-97000112.3I343 L344 V345 F350 R351I343-Y347 VanDerWaalsContact O-CB 3.31Å; I343-Y347 WeakPolarHBondContact O-CB 3.31Å; I343-Y347 PolarHBondContact O-N 2.84Å; L344-Y347 PolarHBondContact O-N 2.82Å; V345-Y347 VanDerWaalsContact C-N 3.32Å; V345-Y347 PolarHBondContact O-N 2.82Å; Y347-F350 PolarHBondContact O-N 3.18Å; Y347-R351 HydrophobicContact CE1-CG 4.14Å; Y347-R351 WeakPolarHBondContact O-CB 3.45Å; Y347-R351 PolarHBondContact O-N 2.83Å; Y347-R351 PolarHBondContact OH-NE 2.71Å
348S82.1Confident75.3Confident51 Ų51119.4 Ų119.436%0.35763%0.626SS.*Hα-helixtrans-68.4-40176.771.30000111.7L344 V345 R351 H352L344-S348 WeakPolarHBondContact O-CB 3.15Å; L344-S348 PolarHBondContact O-N 2.87Å; L344-S348 PolarHBondContact O-OG 3.07Å; V345-S348 WeakPolarHBondContact CA-OG 3.47Å; V345-S348 PolarHBondContact O-N 2.77Å; V345-S348 PolarHBondContact O-OG 3.22Å; S348-R351 PolarHBondContact O-N 2.87Å; S348-H352 WeakPolarHBondContact O-CB 3.01Å; S348-H352 PolarHBondContact O-N 3.06Å; S348-H352 PolarHBondContact O-ND1 2.77Å
349L79.8Confident72.5Confident117 Ų117121.6 Ų121.661%0.61364%0.644SS**Hα-helixtrans-64-41173.3-71.1172.4000111.7V345 G346 H352 C353V345-L349 HydrophobicContact CG1-CD1 4.03Å; V345-L349 HydrophobicContact CG1-CG 4.41Å; V345-L349 WeakPolarHBondContact O-CB 3.23Å; V345-L349 VanDerWaalsContact O-CG 3.28Å; V345-L349 WeakPolarHBondContact O-CG 3.44Å; V345-L349 PolarHBondContact O-N 2.75Å; G346-L349 PolarHBondContact O-N 2.86Å; L349-H352 PolarHBondContact O-N 2.89Å; L349-C353 PolarHBondContact O-N 2.91Å; L349-C353 VanDerWaalsContact O-N 3.15Å
350F76.7Confident69.9Low177 Ų177126.4 Ų126.478%0.77668%0.684SS**Hα-helixtrans-67.4-37.1177.5-146.6-89.8000112.1G346 Y347 H352G346-F350 WeakPolarHBondContact O-CB 3.43Å; G346-F350 PolarHBondContact O-N 2.99Å; Y347-F350 PolarHBondContact O-N 3.18Å; F350-H352 VanDerWaalsContact C-N 3.34Å
351R72.5Confident68.6Low187 Ų187129.5 Ų129.571%0.70670%0.698SS**Hα-helixtrans-69.1-29173.6-100.5-171.2175.4-159.8-1.7113.7Y347 S348Y347-R351 HydrophobicContact CE1-CG 4.14Å; Y347-R351 WeakPolarHBondContact O-CB 3.45Å; Y347-R351 PolarHBondContact O-N 2.83Å; Y347-R351 PolarHBondContact OH-NE 2.71Å; S348-R351 PolarHBondContact O-N 2.87Å
352H65.4Low67.3Low156 Ų156130.8 Ų130.872%0.72271%0.707SS**THydrogen-bonded Turntrans-94.95.6-179.3-71.880.5000113.6S348 L349 F350 P354S348-H352 WeakPolarHBondContact O-CB 3.01Å; S348-H352 PolarHBondContact O-N 3.06Å; S348-H352 PolarHBondContact O-ND1 2.77Å; L349-H352 PolarHBondContact O-N 2.89Å; F350-H352 VanDerWaalsContact C-N 3.34Å; H352-P354 WeakPolarHBondContact O-CD 3.09Å
353C55.8Low65.8Low97 Ų97131 Ų13166%0.65571%0.709SS**  trans-92.699.8170.1-128.30000109.1L349L349-C353 PolarHBondContact O-N 2.91Å; L349-C353 VanDerWaalsContact O-N 3.15Å
354P49.4Very low64.2Low103 Ų103132.1 Ų132.167%0.66972%0.716SS**  trans-67.8136.2168.430.1-32.3000108.4H352 Q356H352-P354 WeakPolarHBondContact O-CD 3.09Å; P354-Q356 VanDerWaalsContact C-N 3.3Å; P354-Q356 PolarHBondContact O-N 2.8Å
355L46.9Very low62.4Low181 Ų181132.9 Ų132.995%0.94872%0.723SS**SBendtrans-51.990.7165.8-102.294.8000110
356Q44.8Very low60.5Low183 Ų183137.3 Ų137.386%0.85574%0.744SS**  trans-155.868164.3-94.7-170.7-23.600109.6P354P354-Q356 VanDerWaalsContact C-N 3.3Å; P354-Q356 PolarHBondContact O-N 2.8Å
357A42.8Very low58.5Low93 Ų93144.6 Ų144.677%0.76977%0.771SS**  trans-159.656.6162.500000111.2
358F40.3Very low56.2Low222 Ų222145.7 Ų145.797%0.97479%0.791SS**  trans-127.791.1155-86.7-79.5000107.4
359S35.5Very low54Low122 Ų122153.6 Ų153.685%0.85383%0.827SS**  trans-150.790.1158.1-177.10000106.7
360C38.8Very low51.7Low205 Ų205156.9 Ų156.9100%1.38585%0.847SS**  trans-112.70151.1-102.30000106.4

Retrieved 360 of 360 residues in 149.5 ms (Link to these results)

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