A0A3Q0KMP8_SCHMA Loading...

Saposin B-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KMP8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 207 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
1M41.8Very low60.6Low232 Ų232119.2 Ų119.2100%1.14363%0.634SS**  0100.50-62.9162.710000108.2
2K50.9Low61.7Low182 Ų182115.6 Ų115.679%0.79163%0.625SS**  trans163-10.8171.8-91.9160.8-169.7-175.80116.9L4 C5K2-L4 PolarHBondContact O-N 3.16Å; K2-C5 PolarHBondContact O-N 3.32Å
3P50.5Low62.4Low101 Ų101115.5 Ų115.566%0.65662%0.623SS**Hα-helixtrans-74.9-24-176.228.4-32.2000113.9C5P3-C5 VanDerWaalsContact C-N 3.26Å; P3-C5 PolarHBondContact O-N 2.93Å
4L53.6Low63Low138 Ų138114.4 Ų114.472%0.72362%0.615SS**Hα-helixtrans-64.5-27174.9-86.4134.9000113.4K2 C8K2-L4 PolarHBondContact O-N 3.16Å; L4-C8 WeakPolarHBondContact O-CB 2.82Å; L4-C8 PolarHBondContact O-N 2.98Å; L4-C8 VanDerWaalsContact O-N 3.15Å; L4-C8 PolarHBondContact O-SG 3.01Å; L4-C8 VanDerWaalsContact O-SG 3.39Å
5C56.3Low63.4Low80 Ų80116.4 Ų116.454%0.54162%0.617SS.*Hα-helixtrans-74.5-37.2-177-156.90000112.1K2 P3 C8 L9K2-C5 PolarHBondContact O-N 3.32Å; P3-C5 VanDerWaalsContact C-N 3.26Å; P3-C5 PolarHBondContact O-N 2.93Å; C5-C8 PolarHBondContact O-N 3.11Å; C5-L9 VanDerWaalsContact O-CG 3.31Å; C5-L9 WeakPolarHBondContact O-CG 3.1Å; C5-L9 PolarHBondContact O-N 3.21Å
6I65.5Low63.8Low111 Ų111119 Ų11957%0.56962%0.617SS**Hα-helixtrans-70.1-42.4178.9-60.2176000110.3C8 L9 L10I6-C8 VanDerWaalsContact C-N 3.34Å; I6-C8 PolarHBondContact O-N 2.99Å; I6-L9 PolarHBondContact O-N 3.29Å; I6-L10 HydrophobicContact CG2-CD1 4.2Å; I6-L10 HydrophobicContact CG2-CG 4.48Å; I6-L10 WeakPolarHBondContact O-CG 3.45Å; I6-L10 PolarHBondContact O-N 3.38Å
7L64.2Low63.7Low108 Ų108115.9 Ų115.957%0.56560%0.604SS**Hα-helixtrans-62.6-42.7177.1-162.575.5000111.2L10 I11L7-L10 PolarHBondContact O-N 3.21Å; L7-I11 HydrophobicContact CD2-CD1 4.43Å; L7-I11 HydrophobicContact CG-CD1 4.04Å; L7-I11 WeakPolarHBondContact O-CB 3.48Å; L7-I11 VanDerWaalsContact O-CG1 3.22Å; L7-I11 WeakPolarHBondContact O-CG1 3.48Å; L7-I11 PolarHBondContact O-N 2.93Å
8C67.7Low63.5Low74 Ų74113.6 Ų113.650%0.559%0.593SS.*Hα-helixtrans-61.8-43.5174.2-76.80000112.5L4 C5 I6 L10 I11 S12L4-C8 WeakPolarHBondContact O-CB 2.82Å; L4-C8 PolarHBondContact O-N 2.98Å; L4-C8 VanDerWaalsContact O-N 3.15Å; L4-C8 PolarHBondContact O-SG 3.01Å; L4-C8 VanDerWaalsContact O-SG 3.39Å; C5-C8 PolarHBondContact O-N 3.11Å; I6-C8 VanDerWaalsContact C-N 3.34Å; I6-C8 PolarHBondContact O-N 2.99Å; C8-L10 PolarHBondContact O-N 3.45Å; C8-I11 PolarHBondContact O-N 3.4Å; C8-S12 WeakPolarHBondContact O-CB 3.33Å; C8-S12 PolarHBondContact O-N 3.46Å; C8-S12 PolarHBondContact O-OG 3.4Å; C8-S12 VanDerWaalsContact O-OG 3.09Å
9L70.7Confident63.4Low111 Ų111111.4 Ų111.458%0.58159%0.588SS**Hα-helixtrans-62.7-41.4177.4-73.7171.9000112.2C5 I6 S12 L13C5-L9 VanDerWaalsContact O-CG 3.31Å; C5-L9 WeakPolarHBondContact O-CG 3.1Å; C5-L9 PolarHBondContact O-N 3.21Å; I6-L9 PolarHBondContact O-N 3.29Å; L9-S12 PolarHBondContact O-N 3.46Å; L9-L13 WeakPolarHBondContact O-CB 2.86Å; L9-L13 PolarHBondContact O-N 3.31Å
10L69.4Low63Low98 Ų98109.6 Ų109.651%0.51358%0.578SS.*Hα-helixtrans-65.5-43.9176.5-70.6174.5000111.7I6 L7 C8 L13 I14I6-L10 HydrophobicContact CG2-CD1 4.2Å; I6-L10 HydrophobicContact CG2-CG 4.48Å; I6-L10 WeakPolarHBondContact O-CG 3.45Å; I6-L10 PolarHBondContact O-N 3.38Å; L7-L10 PolarHBondContact O-N 3.21Å; C8-L10 PolarHBondContact O-N 3.45Å; L10-L13 PolarHBondContact O-N 2.91Å; L10-I14 VanDerWaalsContact O-CG1 3.25Å; L10-I14 WeakPolarHBondContact O-CG1 3.31Å; L10-I14 PolarHBondContact O-N 3.28Å
11I75.8Confident62.6Low76 Ų76108.6 Ų108.639%0.3957%0.571SS.*Hα-helixtrans-61.7-46.9176.3-69167.9000110L7 C8 L13 I14 F15L7-I11 HydrophobicContact CD2-CD1 4.43Å; L7-I11 HydrophobicContact CG-CD1 4.04Å; L7-I11 WeakPolarHBondContact O-CB 3.48Å; L7-I11 VanDerWaalsContact O-CG1 3.22Å; L7-I11 WeakPolarHBondContact O-CG1 3.48Å; L7-I11 PolarHBondContact O-N 2.93Å; C8-I11 PolarHBondContact O-N 3.4Å; I11-L13 VanDerWaalsContact C-N 3.32Å; I11-L13 PolarHBondContact O-N 2.94Å; I11-I14 PolarHBondContact O-N 2.93Å; I11-F15 HydrophobicContact CG2-CD2 3.57Å; I11-F15 HydrophobicContact CG2-CE2 3.62Å; I11-F15 VanDerWaalsContact O-CD2 3.3Å; I11-F15 WeakPolarHBondContact O-CD2 3.29Å; I11-F15 PolarHBondContact O-N 2.94Å
12S74.4Confident63.3Low76 Ų76104.5 Ų104.553%0.53155%0.549SS..Hα-helixtrans-60.3-39.5175.8-660000112.4C8 L9 Y16C8-S12 WeakPolarHBondContact O-CB 3.33Å; C8-S12 PolarHBondContact O-N 3.46Å; C8-S12 PolarHBondContact O-OG 3.4Å; C8-S12 VanDerWaalsContact O-OG 3.09Å; L9-S12 PolarHBondContact O-N 3.46Å; S12-Y16 VanDerWaalsContact O-CB 3.24Å; S12-Y16 WeakPolarHBondContact O-CB 3.43Å; S12-Y16 PolarHBondContact O-N 3.48Å
13L70.5Confident63.6Low115 Ų115100.9 Ų100.960%0.60254%0.538SS*.Hα-helixtrans-64.8-43.8175.8-131.797.2000111.6L9 L10 I11 Y16 V17L9-L13 WeakPolarHBondContact O-CB 2.86Å; L9-L13 PolarHBondContact O-N 3.31Å; L10-L13 PolarHBondContact O-N 2.91Å; I11-L13 VanDerWaalsContact C-N 3.32Å; I11-L13 PolarHBondContact O-N 2.94Å; L13-Y16 PolarHBondContact O-N 3.32Å; L13-V17 WeakPolarHBondContact O-CB 3.37Å; L13-V17 VanDerWaalsContact O-CG2 3.26Å; L13-V17 WeakPolarHBondContact O-CG2 3.37Å; L13-V17 PolarHBondContact O-N 3.07Å
14I71Confident63.8Low99 Ų9998.8 Ų98.851%0.50853%0.526SS..Hα-helixtrans-63.2-46.5178.4-69.2164.4000110.3L10 I11 Y16 V17 N18L10-I14 VanDerWaalsContact O-CG1 3.25Å; L10-I14 WeakPolarHBondContact O-CG1 3.31Å; L10-I14 PolarHBondContact O-N 3.28Å; I11-I14 PolarHBondContact O-N 2.93Å; I14-Y16 VanDerWaalsContact C-N 3.34Å; I14-Y16 PolarHBondContact O-N 3.01Å; I14-V17 PolarHBondContact O-N 3.48Å; I14-N18 VanDerWaalsContact O-CB 3.28Å; I14-N18 WeakPolarHBondContact O-CB 3.19Å; I14-N18 PolarHBondContact O-N 3.4Å; I14-N18 PolarHBondContact O-ND2 2.91Å
15F68.4Low64Low145 Ų14596.8 Ų96.864%0.63652%0.515SS*.Hα-helixtrans-62.8-39.9176-87.4-74.5000112.3I11 N18 S19I11-F15 HydrophobicContact CG2-CD2 3.57Å; I11-F15 HydrophobicContact CG2-CE2 3.62Å; I11-F15 VanDerWaalsContact O-CD2 3.3Å; I11-F15 WeakPolarHBondContact O-CD2 3.29Å; I11-F15 PolarHBondContact O-N 2.94Å; F15-N18 PolarHBondContact O-N 2.89Å; F15-S19 WeakPolarHBondContact O-CB 3.31Å; F15-S19 PolarHBondContact O-N 3.42Å
16Y70Confident64Low158 Ų15898.5 Ų98.562%0.6252%0.515SS*.Hα-helixtrans-65.3-45.8177.5-176.6-105.1000112.2S12 L13 I14 S19 I20S12-Y16 VanDerWaalsContact O-CB 3.24Å; S12-Y16 WeakPolarHBondContact O-CB 3.43Å; S12-Y16 PolarHBondContact O-N 3.48Å; L13-Y16 PolarHBondContact O-N 3.32Å; I14-Y16 VanDerWaalsContact C-N 3.34Å; I14-Y16 PolarHBondContact O-N 3.01Å; Y16-S19 PolarHBondContact O-N 3Å; Y16-I20 HydrophobicContact CD1-CD1 3.78Å; Y16-I20 HydrophobicContact CE1-CD1 3.25Å; Y16-I20 HydrophobicContact CE1-CG1 4.4Å; Y16-I20 HydrophobicContact CE2-CD1 4.16Å; Y16-I20 HydrophobicContact CG-CD1 4.43Å; Y16-I20 VanDerWaalsContact CZ-CD1 3.47Å; Y16-I20 WeakPolarHBondContact O-CG1 3.25Å; Y16-I20 PolarHBondContact O-N 3.29Å
17V62.1Low63.7Low66 Ų6698.4 Ų98.440%0.451%0.512SS..Hα-helixtrans-65.8-40.6177.1176.40000110.7L13 I14 I20 M21L13-V17 WeakPolarHBondContact O-CB 3.37Å; L13-V17 VanDerWaalsContact O-CG2 3.26Å; L13-V17 WeakPolarHBondContact O-CG2 3.37Å; L13-V17 PolarHBondContact O-N 3.07Å; I14-V17 PolarHBondContact O-N 3.48Å; V17-I20 PolarHBondContact O-N 2.84Å; V17-M21 HydrophobicContact CG1-CE 4.06Å; V17-M21 HydrophobicContact CG1-CG 4.44Å; V17-M21 HydrophobicContact CG1-SD 4.33Å; V17-M21 WeakPolarHBondContact O-CB 3.44Å; V17-M21 VanDerWaalsContact O-CG 3.3Å; V17-M21 WeakPolarHBondContact O-CG 3.42Å; V17-M21 PolarHBondContact O-N 3.33Å
18N60.5Low63.3Low75 Ų7597.6 Ų97.640%0.40151%0.508SS..Hα-helixtrans-62.5-44.1175-73.8-20.4000111.9I14 F15 I20 M21 E22I14-N18 VanDerWaalsContact O-CB 3.28Å; I14-N18 WeakPolarHBondContact O-CB 3.19Å; I14-N18 PolarHBondContact O-N 3.4Å; I14-N18 PolarHBondContact O-ND2 2.91Å; F15-N18 PolarHBondContact O-N 2.89Å; N18-I20 PolarHBondContact O-N 3.41Å; N18-M21 PolarHBondContact O-N 3.5Å; N18-M21 VanDerWaalsContact OD1-CE 3.25Å; N18-M21 WeakPolarHBondContact OD1-CE 3.35Å; N18-E22 WeakPolarHBondContact O-CB 3.38Å; N18-E22 PolarHBondContact O-N 2.87Å
19S60.9Low62.9Low72 Ų72100 Ų10050%0.50351%0.512SS..Hα-helixtrans-60.4-45.3175.8166.40000112F15 Y16 M21 E22 D23F15-S19 WeakPolarHBondContact O-CB 3.31Å; F15-S19 PolarHBondContact O-N 3.42Å; Y16-S19 PolarHBondContact O-N 3Å; S19-M21 VanDerWaalsContact C-N 3.34Å; S19-M21 PolarHBondContact O-N 3.25Å; S19-E22 PolarHBondContact O-N 2.04Å; S19-D23 PolarHBondContact O-N 3.22Å; S19-D23 VanDerWaalsContact O-N 3.09Å
20I56.8Low62.1Low75 Ų7599.4 Ų99.439%0.38551%0.509SS..Hα-helixtrans-63-41.9176.1-71.1174.4000111.2Y16 V17 N18 S24Y16-I20 HydrophobicContact CD1-CD1 3.78Å; Y16-I20 HydrophobicContact CE1-CD1 3.25Å; Y16-I20 HydrophobicContact CE1-CG1 4.4Å; Y16-I20 HydrophobicContact CE2-CD1 4.16Å; Y16-I20 HydrophobicContact CG-CD1 4.43Å; Y16-I20 VanDerWaalsContact CZ-CD1 3.47Å; Y16-I20 WeakPolarHBondContact O-CG1 3.25Å; Y16-I20 PolarHBondContact O-N 3.29Å; V17-I20 PolarHBondContact O-N 2.84Å; N18-I20 PolarHBondContact O-N 3.41Å; I20-S24 VanDerWaalsContact O-CB 3.24Å; I20-S24 WeakPolarHBondContact O-CB 3.37Å; I20-S24 PolarHBondContact O-N 2.97Å; I20-S24 PolarHBondContact O-OG 3.14Å
21M53.4Low61.5Low89 Ų8998.6 Ų98.644%0.43850%0.503SS..Hα-helixtrans-66.5-40.6178.6-74.6-170.5-55.500111.7V17 N18 S19 S24 I25V17-M21 HydrophobicContact CG1-CE 4.06Å; V17-M21 HydrophobicContact CG1-CG 4.44Å; V17-M21 HydrophobicContact CG1-SD 4.33Å; V17-M21 WeakPolarHBondContact O-CB 3.44Å; V17-M21 VanDerWaalsContact O-CG 3.3Å; V17-M21 WeakPolarHBondContact O-CG 3.42Å; V17-M21 PolarHBondContact O-N 3.33Å; N18-M21 PolarHBondContact O-N 3.5Å; N18-M21 VanDerWaalsContact OD1-CE 3.25Å; N18-M21 WeakPolarHBondContact OD1-CE 3.35Å; S19-M21 VanDerWaalsContact C-N 3.34Å; S19-M21 PolarHBondContact O-N 3.25Å; M21-S24 PolarHBondContact O-N 3.47Å; M21-I25 WeakPolarHBondContact O-CB 3.43Å; M21-I25 WeakPolarHBondContact O-CD1 3.49Å; M21-I25 WeakPolarHBondContact O-CG1 3.27Å; M21-I25 PolarHBondContact O-N 2.92Å
22E56.9Low60.4Low146 Ų146102.7 Ų102.768%0.68252%0.518SS*.Hα-helixtrans-66.2-43.2-178.7-157.4164.2-151.500111.2N18 S19 I25 H26N18-E22 WeakPolarHBondContact O-CB 3.38Å; N18-E22 PolarHBondContact O-N 2.87Å; S19-E22 PolarHBondContact O-N 2.04Å; E22-I25 PolarHBondContact O-N 3.4Å; E22-H26 WeakPolarHBondContact O-CB 3.05Å; E22-H26 PolarHBondContact O-N 2.99Å
23D57.5Low59.3Low105 Ų105107.2 Ų107.256%0.56153%0.53SS*.Hα-helixtrans-66.9-39.8175.8-148.66.4000111.2S19 I25 H26 Q27S19-D23 PolarHBondContact O-N 3.22Å; S19-D23 VanDerWaalsContact O-N 3.09Å; D23-I25 PolarHBondContact O-N 3.09Å; D23-H26 PolarHBondContact O-N 3.36Å; D23-Q27 WeakPolarHBondContact O-CB 3.22Å; D23-Q27 WeakPolarHBondContact O-CG 3.38Å; D23-Q27 PolarHBondContact O-N 2.68Å
24S54.8Low58.4Low58 Ų58112.6 Ų112.641%0.40654%0.542SS..Hα-helixtrans-63.6-41.7174.8-60.20000112.5I20 M21 L28I20-S24 VanDerWaalsContact O-CB 3.24Å; I20-S24 WeakPolarHBondContact O-CB 3.37Å; I20-S24 PolarHBondContact O-N 2.97Å; I20-S24 PolarHBondContact O-OG 3.14Å; M21-S24 PolarHBondContact O-N 3.47Å; S24-L28 VanDerWaalsContact O-CB 3.31Å; S24-L28 WeakPolarHBondContact O-CB 3.41Å; S24-L28 WeakPolarHBondContact O-CD1 3.35Å; S24-L28 VanDerWaalsContact O-CG 3.25Å; S24-L28 WeakPolarHBondContact O-CG 3.39Å; S24-L28 PolarHBondContact O-N 3.25Å
25I56.9Low57.5Low95 Ų95110.3 Ų110.349%0.48753%0.529SS..Hα-helixtrans-68-43178.3-71.4165.2000110.1M21 E22 D23 L28 Q29M21-I25 WeakPolarHBondContact O-CB 3.43Å; M21-I25 WeakPolarHBondContact O-CD1 3.49Å; M21-I25 WeakPolarHBondContact O-CG1 3.27Å; M21-I25 PolarHBondContact O-N 2.92Å; E22-I25 PolarHBondContact O-N 3.4Å; D23-I25 PolarHBondContact O-N 3.09Å; I25-L28 PolarHBondContact O-N 2.99Å; I25-Q29 HydrophobicContact CG2-CG 4.45Å; I25-Q29 WeakPolarHBondContact O-CG 3.42Å; I25-Q29 PolarHBondContact O-N 3.34Å
26H56.6Low56.7Low117 Ų117115 Ų11554%0.54254%0.542SS..Hα-helixtrans-65.9-40.4179.4-152.9-59.6000111.5E22 D23 Q29 L30E22-H26 WeakPolarHBondContact O-CB 3.05Å; E22-H26 PolarHBondContact O-N 2.99Å; D23-H26 PolarHBondContact O-N 3.36Å; H26-Q29 PolarHBondContact O-N 2.82Å; H26-L30 WeakPolarHBondContact ND1-CD1 3.5Å; H26-L30 WeakPolarHBondContact O-CG 3.07Å; H26-L30 PolarHBondContact O-N 3.39Å
27Q59.5Low55.8Low108 Ų108111.3 Ų111.351%0.50555%0.553SS.*Hα-helixtrans-63.6-42.5172.1-70.2-69.1-24.500112D23 Q29 L30 Q31D23-Q27 WeakPolarHBondContact O-CB 3.22Å; D23-Q27 WeakPolarHBondContact O-CG 3.38Å; D23-Q27 PolarHBondContact O-N 2.68Å; Q27-Q29 PolarHBondContact O-N 3.35Å; Q27-L30 PolarHBondContact O-N 2.75Å; Q27-Q31 WeakPolarHBondContact O-CG 3.42Å; Q27-Q31 PolarHBondContact O-N 3.5Å
28L56.6Low55.5Low91 Ų91111.1 Ų111.148%0.47655%0.554SS.*Hα-helixtrans-62.6-40.2175.9-81.8161.6000112.1S24 I25 K32 F115S24-L28 VanDerWaalsContact O-CB 3.31Å; S24-L28 WeakPolarHBondContact O-CB 3.41Å; S24-L28 WeakPolarHBondContact O-CD1 3.35Å; S24-L28 VanDerWaalsContact O-CG 3.25Å; S24-L28 WeakPolarHBondContact O-CG 3.39Å; S24-L28 PolarHBondContact O-N 3.25Å; I25-L28 PolarHBondContact O-N 2.99Å; L28-K32 WeakPolarHBondContact O-CB 3.21Å; L28-K32 PolarHBondContact O-N 2.91Å; L28-F115 HydrophobicContact CD2-CZ 4.07Å
29Q57.7Low55.6Low125 Ų125115.2 Ų115.258%0.58457%0.571SS**Hα-helixtrans-69.7-41.8178.1-71.8-157.9-12.600112.6I25 H26 Q27 Q31 K32 H33I25-Q29 HydrophobicContact CG2-CG 4.45Å; I25-Q29 WeakPolarHBondContact O-CG 3.42Å; I25-Q29 PolarHBondContact O-N 3.34Å; H26-Q29 PolarHBondContact O-N 2.82Å; Q27-Q29 PolarHBondContact O-N 3.35Å; Q29-Q31 VanDerWaalsContact C-N 3.33Å; Q29-Q31 PolarHBondContact O-N 3.41Å; Q29-K32 PolarHBondContact O-N 2.8Å; Q29-H33 PolarHBondContact O-N 3.47Å
30L54.6Low55.7Low98 Ų98113 Ų11351%0.51356%0.555SS.*Hα-helixtrans-63.2-38.5175-72.1170.1000111.9H26 Q27 R34H26-L30 WeakPolarHBondContact ND1-CD1 3.5Å; H26-L30 WeakPolarHBondContact O-CG 3.07Å; H26-L30 PolarHBondContact O-N 3.39Å; Q27-L30 PolarHBondContact O-N 2.75Å; L30-R34 PolarHBondContact O-N 3.31Å
31Q56.8Low56.6Low82 Ų82113.1 Ų113.138%0.38356%0.556SS.*Hα-helixtrans-68-36.6174-74.3-157.41.200112.9Q27 Q29 H33 R34 K35Q27-Q31 WeakPolarHBondContact O-CG 3.42Å; Q27-Q31 PolarHBondContact O-N 3.5Å; Q29-Q31 VanDerWaalsContact C-N 3.33Å; Q29-Q31 PolarHBondContact O-N 3.41Å; Q31-H33 VanDerWaalsContact C-N 3.31Å; Q31-H33 PolarHBondContact O-N 2.86Å; Q31-R34 PolarHBondContact O-N 3.46Å; Q31-K35 HydrophobicContact CB-CD 4.48Å; Q31-K35 VanDerWaalsContact O-CB 3.29Å; Q31-K35 WeakPolarHBondContact O-CB 3.33Å; Q31-K35 WeakPolarHBondContact O-CG 3.42Å; Q31-K35 PolarHBondContact O-N 3.41Å
32K53.4Low58.1Low162 Ų162114.2 Ų114.270%0.70456%0.562SS**Hα-helixtrans-63.7-34.5-179-167.9175.9-176.9177.90112.8L28 Q29L28-K32 WeakPolarHBondContact O-CB 3.21Å; L28-K32 PolarHBondContact O-N 2.91Å; Q29-K32 PolarHBondContact O-N 2.8Å
33H51.3Low59.5Low171 Ų171114.1 Ų114.179%0.79256%0.56SS**Hα-helixtrans-76.3-34.4175.7-82.3-82.3000113.4Q29 Q31Q29-H33 PolarHBondContact O-N 3.47Å; Q31-H33 VanDerWaalsContact C-N 3.31Å; Q31-H33 PolarHBondContact O-N 2.86Å
34R51.1Low61.1Low228 Ų228112.1 Ų112.186%0.8655%0.547SS*.Hα-helixtrans-78.7-30176.9-85.1-176.7173.8170.4-1.5114.2L30 Q31L30-R34 PolarHBondContact O-N 3.31Å; Q31-R34 PolarHBondContact O-N 3.46Å
35K52.1Low62.7Low51 Ų51110 Ų11022%0.22253%0.533CS..G310 helixtrans-88.7-1.9-171-73.5-173.2176.4175.60115.9Q31 G37 S38Q31-K35 HydrophobicContact CB-CD 4.48Å; Q31-K35 VanDerWaalsContact O-CB 3.29Å; Q31-K35 WeakPolarHBondContact O-CB 3.33Å; Q31-K35 WeakPolarHBondContact O-CG 3.42Å; Q31-K35 PolarHBondContact O-N 3.41Å; K35-G37 PolarHBondContact O-N 2.94Å; K35-S38 WeakPolarHBondContact CA-OG 3.24Å; K35-S38 PolarHBondContact O-N 3.26Å; K35-S38 VanDerWaalsContact O-N 3.16Å
36R51.2Low64.2Low242 Ų242110 Ų11091%0.91353%0.533SS*.G310 helixtrans-64.5-6.8-176.6-142.7174.4-164.9172.43.2114.3
37G51.1Low65.9Low82 Ų82109.2 Ų109.285%0.84554%0.536SS*.G310 helixtrans-129.23.317200000115.9K35K35-G37 PolarHBondContact O-N 2.94Å
38S56.5Low67.5Low61 Ų61105 Ų10543%0.42752%0.518SS..SBendtrans-103.6130.2-179.766.80000111.2K35 P40K35-S38 WeakPolarHBondContact CA-OG 3.24Å; K35-S38 PolarHBondContact O-N 3.26Å; K35-S38 VanDerWaalsContact O-N 3.16Å; S38-P40 WeakPolarHBondContact O-CD 3.32Å
39Q61.5Low69.2Low162 Ų162104.5 Ų104.576%0.75751%0.512SS*.PPolyproline II helixtrans-49.1120.2172.5-70.2-136.9-13.400111.5N41 Y117Q39-N41 PolarHBondContact O-N 3.48Å; Q39-Y117 WeakPolarHBondContact CA-OH 3.45Å; Q39-Y117 WeakPolarHBondContact CB-OH 3.15Å; Q39-Y117 WeakPolarHBondContact CG-OH 3.35Å; Q39-Y117 PolarHBondContact NE2-OH 3.3Å; Q39-Y117 PolarHBondContact OE1-OH 2.03Å
40P63.9Low70.8Confident25 Ų25101.7 Ų101.716%0.16251%0.506CS..PPolyproline II helixtrans-58.3128.5173.316.3-28.5000110.7S38 I42 F115 Y117S38-P40 WeakPolarHBondContact O-CD 3.32Å; P40-I42 PolarHBondContact O-N 3.13Å; P40-F115 WeakPolarHBondContact CB-O 3.39Å; P40-Y117 VanDerWaalsContact CD-CZ 3.44Å; P40-Y117 HydrophobicContact CG-CD1 4.15Å; P40-Y117 HydrophobicContact CG-CD2 3.68Å; P40-Y117 HydrophobicContact CG-CE1 4.11Å; P40-Y117 HydrophobicContact CG-CE2 3.63Å; P40-Y117 HydrophobicContact CG-CG 3.96Å
41N75.6Confident72.6Confident78 Ų7898.6 Ų98.642%0.41750%0.498SS..PPolyproline II helixtrans-64131.8177178.7-21.2000109.4Q39 F43 Q44 C45Q39-N41 PolarHBondContact O-N 3.48Å; N41-F43 PolarHBondContact O-N 2.98Å; N41-F43 VanDerWaalsContact O-N 3.11Å; N41-F43 WeakPolarHBondContact OD1-CB 3.46Å; N41-F43 VanDerWaalsContact OD1-CD2 3.31Å; N41-F43 WeakPolarHBondContact OD1-CD2 3Å; N41-F43 PolarHBondContact OD1-N 3.38Å; N41-Q44 HydrophobicContact CB-CB 4.49Å; N41-Q44 HydrophobicContact CB-CG 4.11Å; N41-Q44 WeakPolarHBondContact O-CA 2.94Å; N41-Q44 WeakPolarHBondContact O-CB 3.28Å; N41-Q44 PolarHBondContact O-N 2.92Å; N41-C45 PolarHBondContact O-N 2.95Å
42I84.6Confident74.3Confident111 Ų11195.4 Ų95.457%0.56948%0.484SS*.Hα-helixtrans-48.5-39.1177.8-173.860.2000112.6P40 C45 I46P40-I42 PolarHBondContact O-N 3.13Å; I42-C45 PolarHBondContact O-N 3.41Å; I42-I46 HydrophobicContact CD1-CD1 4.38Å; I42-I46 HydrophobicContact CG1-CD1 3.98Å; I42-I46 WeakPolarHBondContact O-CG1 3.41Å; I42-I46 PolarHBondContact O-N 2.91Å
43F87.2Confident76Confident144 Ų14488.7 Ų88.763%0.63246%0.46SS*.Hα-helixtrans-63.9-41.2177-69.6-72.7000112.3N41 C45 I46 T47N41-F43 PolarHBondContact O-N 2.98Å; N41-F43 VanDerWaalsContact O-N 3.11Å; N41-F43 WeakPolarHBondContact OD1-CB 3.46Å; N41-F43 VanDerWaalsContact OD1-CD2 3.31Å; N41-F43 WeakPolarHBondContact OD1-CD2 3Å; N41-F43 PolarHBondContact OD1-N 3.38Å; F43-C45 VanDerWaalsContact C-N 3.31Å; F43-C45 PolarHBondContact O-N 3.37Å; F43-I46 PolarHBondContact O-N 3.19Å; F43-T47 WeakPolarHBondContact O-CB 3.37Å; F43-T47 PolarHBondContact O-N 2.83Å; F43-T47 PolarHBondContact O-OG1 3.33Å; F43-T47 VanDerWaalsContact O-OG1 3.07Å
44Q89.5Confident77.9Confident64 Ų6486.7 Ų86.730%0.29945%0.449SS..Hα-helixtrans-62.6-40.4176.8-69.3176.50.900111.2N41 C48 F115N41-Q44 HydrophobicContact CB-CB 4.49Å; N41-Q44 HydrophobicContact CB-CG 4.11Å; N41-Q44 WeakPolarHBondContact O-CA 2.94Å; N41-Q44 WeakPolarHBondContact O-CB 3.28Å; N41-Q44 PolarHBondContact O-N 2.92Å; Q44-C48 VanDerWaalsContact O-CB 3.27Å; Q44-C48 WeakPolarHBondContact O-CB 3.26Å; Q44-C48 PolarHBondContact O-N 3.38Å; Q44-F115 HydrophobicContact CB-CD1 4.18Å
45C89.2Confident79.9Confident14 Ų1479.5 Ų79.510%0.09543%0.431CS..Hα-helixtrans-63.9-47.5176.8-176.10000111.5N41 I42 F43 C48 K49 F115 C116N41-C45 PolarHBondContact O-N 2.95Å; I42-C45 PolarHBondContact O-N 3.41Å; F43-C45 VanDerWaalsContact C-N 3.31Å; F43-C45 PolarHBondContact O-N 3.37Å; C45-C48 PolarHBondContact O-N 3.47Å; C45-K49 WeakPolarHBondContact O-CB 3.37Å; C45-K49 VanDerWaalsContact O-CG 3.26Å; C45-K49 WeakPolarHBondContact O-CG 3.26Å; C45-K49 PolarHBondContact O-N 3.27Å; C45-F115 VanDerWaalsContact CA-O 3.22Å; C45-F115 WeakPolarHBondContact CA-O 3.41Å; C45-F115 WeakPolarHBondContact CB-O 3.04Å; C45-F115 PolarHBondContact N-O 2.96Å; C45-C116 WeakPolarHBondContact CA-SG 3.49Å; C45-C116 HydrophobicContact CB-CB 3.99Å; C45-C116 WeakPolarHBondContact CB-SG 3.43Å; C45-C116 WeakPolarHBondContact SG-CB 3.47Å; C45-C116 CovalentContact SG-SG 2.04Å; C45-C116 PolarHBondContact SG-SG 3.27Å
46I89.1Confident81.7Confident95 Ų9577.8 Ų77.849%0.48742%0.424SS..Hα-helixtrans-60.6-49.2178.6-68.5167.9000110.8I42 F43 C48 K49 S50I42-I46 HydrophobicContact CD1-CD1 4.38Å; I42-I46 HydrophobicContact CG1-CD1 3.98Å; I42-I46 WeakPolarHBondContact O-CG1 3.41Å; I42-I46 PolarHBondContact O-N 2.91Å; F43-I46 PolarHBondContact O-N 3.19Å; I46-C48 PolarHBondContact O-N 2.87Å; I46-K49 PolarHBondContact O-N 3.46Å; I46-S50 WeakPolarHBondContact O-CB 3.1Å; I46-S50 PolarHBondContact O-N 3.24Å
47T91.7Very high83.6Confident99 Ų9972 Ų7261%0.60741%0.411SS*.Hα-helixtrans-60.9-45.5179.3-62.20000111.4F43 K49 S50 G51F43-T47 WeakPolarHBondContact O-CB 3.37Å; F43-T47 PolarHBondContact O-N 2.83Å; F43-T47 PolarHBondContact O-OG1 3.33Å; F43-T47 VanDerWaalsContact O-OG1 3.07Å; T47-K49 PolarHBondContact O-N 3.4Å; T47-S50 PolarHBondContact O-N 2.91Å; T47-G51 PolarHBondContact O-N 2.91Å
48C93.4Very high85.5Confident19 Ų1973.9 Ų73.913%0.12840%0.399CS..Hα-helixtrans-61.3-44.6177.3177.20000111.6Q44 C45 I46 S50 G51 T52 C110 F115Q44-C48 VanDerWaalsContact O-CB 3.27Å; Q44-C48 WeakPolarHBondContact O-CB 3.26Å; Q44-C48 PolarHBondContact O-N 3.38Å; C45-C48 PolarHBondContact O-N 3.47Å; I46-C48 PolarHBondContact O-N 2.87Å; C48-S50 PolarHBondContact O-N 3.46Å; C48-G51 PolarHBondContact O-N 3.36Å; C48-T52 VanDerWaalsContact O-CB 3.28Å; C48-T52 WeakPolarHBondContact O-CB 3.42Å; C48-T52 PolarHBondContact O-N 2.85Å; C48-T52 PolarHBondContact O-OG1 2.88Å; C48-C110 HydrophobicContact CB-CB 3.75Å; C48-C110 WeakPolarHBondContact CB-SG 3.48Å; C48-C110 PolarHBondContact O-SG 3.44Å; C48-C110 WeakPolarHBondContact SG-CA 3.3Å; C48-C110 WeakPolarHBondContact SG-CB 3.07Å; C48-C110 CovalentContact SG-SG 2.03Å; C48-C110 PolarHBondContact SG-SG 3.28Å; C48-F115 HydrophobicContact CB-CB 3.81Å; C48-F115 HydrophobicContact CB-CD2 3.96Å; C48-F115 HydrophobicContact CB-CG 4.05Å
49K92.2Very high87Confident82 Ų8272.8 Ų72.836%0.35739%0.388SS..Hα-helixtrans-62.7-45.6180-74.2170.671169.30111.4C45 I46 T47 T52 G53 P106 Q107 C110C45-K49 WeakPolarHBondContact O-CB 3.37Å; C45-K49 VanDerWaalsContact O-CG 3.26Å; C45-K49 WeakPolarHBondContact O-CG 3.26Å; C45-K49 PolarHBondContact O-N 3.27Å; I46-K49 PolarHBondContact O-N 3.46Å; T47-K49 PolarHBondContact O-N 3.4Å; K49-T52 PolarHBondContact O-N 3.47Å; K49-G53 PolarHBondContact O-N 3.44Å; K49-P106 HydrophobicContact CB-CB 4.26Å; K49-P106 HydrophobicContact CG-CB 4.34Å; K49-Q107 VanDerWaalsContact CE-OE1 3.26Å; K49-C110 HydrophobicContact CG-CB 4.44Å; K49-C110 PolarHBondContact N-SG 3Å
50S90.5Very high88.4Confident66 Ų6667.9 Ų67.946%0.46237%0.367SS..Hα-helixtrans-62.1-47.6177.3-174.10000111.3I46 T47 C48 G53 K54I46-S50 WeakPolarHBondContact O-CB 3.1Å; I46-S50 PolarHBondContact O-N 3.24Å; T47-S50 PolarHBondContact O-N 2.91Å; C48-S50 PolarHBondContact O-N 3.46Å; S50-G53 PolarHBondContact O-N 3.29Å; S50-K54 WeakPolarHBondContact O-CG 3.34Å; S50-K54 PolarHBondContact O-N 3.48Å
51G93Very high89.7Confident32 Ų3268 Ų6833%0.3337%0.368SS..Hα-helixtrans-60.5-46.8176.900000112.3T47 C48 G53 K54 V55T47-G51 PolarHBondContact O-N 2.91Å; C48-G51 PolarHBondContact O-N 3.36Å; G51-G53 VanDerWaalsContact C-N 3.35Å; G51-G53 PolarHBondContact O-N 2.91Å; G51-K54 PolarHBondContact O-N 2.92Å; G51-V55 WeakPolarHBondContact O-CG2 3.24Å; G51-V55 PolarHBondContact O-N 2.95Å
52T91.3Very high90.5Very high16 Ų1669.4 Ų69.410%0.09838%0.382CS..Hα-helixtrans-60.1-45.1176.5-56.20000110.9C48 K49 K54 V55 L56 I104 P106 W109 C110C48-T52 VanDerWaalsContact O-CB 3.28Å; C48-T52 WeakPolarHBondContact O-CB 3.42Å; C48-T52 PolarHBondContact O-N 2.85Å; C48-T52 PolarHBondContact O-OG1 2.88Å; K49-T52 PolarHBondContact O-N 3.47Å; T52-K54 PolarHBondContact O-N 3.42Å; T52-V55 PolarHBondContact O-N 2.95Å; T52-L56 HydrophobicContact CG2-CD1 3.97Å; T52-L56 HydrophobicContact CG2-CG 4.29Å; T52-L56 WeakPolarHBondContact O-CB 3.35Å; T52-L56 VanDerWaalsContact O-CG 3.24Å; T52-L56 WeakPolarHBondContact O-CG 3.07Å; T52-L56 PolarHBondContact O-N 2.84Å; T52-I104 HydrophobicContact CG2-CG2 4.24Å; T52-P106 HydrophobicContact CG2-CB 4.06Å; T52-P106 HydrophobicContact CG2-CG 4.23Å; T52-W109 HydrophobicContact CG2-CB 4.29Å; T52-W109 HydrophobicContact CG2-CG 4.19Å; T52-C110 PolarHBondContact OG1-SG 2.82Å
53G90.7Very high90.8Very high20 Ų2068 Ų6821%0.20638%0.381CS..Hα-helixtrans-59.9-44.4176.200000112.8K49 S50 G51 L56 N57K49-G53 PolarHBondContact O-N 3.44Å; S50-G53 PolarHBondContact O-N 3.29Å; G51-G53 VanDerWaalsContact C-N 3.35Å; G51-G53 PolarHBondContact O-N 2.91Å; G53-L56 PolarHBondContact O-N 2.78Å; G53-N57 VanDerWaalsContact O-CG 3.26Å; G53-N57 PolarHBondContact O-N 3.33Å
54K91.3Very high90.9Very high130 Ų13063.1 Ų63.157%0.56536%0.364SS*.Hα-helixtrans-61.7-47.2175.8-73.8-178.2178.4-175.90112.1S50 G51 T52 L56 N57 M58S50-K54 WeakPolarHBondContact O-CG 3.34Å; S50-K54 PolarHBondContact O-N 3.48Å; G51-K54 PolarHBondContact O-N 2.92Å; T52-K54 PolarHBondContact O-N 3.42Å; K54-L56 PolarHBondContact O-N 3.44Å; K54-N57 PolarHBondContact O-N 2.9Å; K54-M58 WeakPolarHBondContact O-CG 3.25Å; K54-M58 PolarHBondContact O-N 2.99Å
55V91.6Very high90.7Very high77 Ų7763.3 Ų63.347%0.46737%0.367SS..Hα-helixtrans-62.3-43.5178.5170.60000110.9G51 T52 N57 M58 I59G51-V55 WeakPolarHBondContact O-CG2 3.24Å; G51-V55 PolarHBondContact O-N 2.95Å; T52-V55 PolarHBondContact O-N 2.95Å; V55-N57 VanDerWaalsContact C-N 3.34Å; V55-N57 PolarHBondContact O-N 3.14Å; V55-M58 PolarHBondContact O-N 3.38Å; V55-I59 HydrophobicContact CG1-CD1 3.61Å; V55-I59 HydrophobicContact CG1-CG1 4.23Å; V55-I59 WeakPolarHBondContact O-CG1 3.3Å; V55-I59 PolarHBondContact O-N 3.41Å
56L90.3Very high90.8Very high15 Ų1569.5 Ų69.58%0.07939%0.394CS..Hα-helixtrans-60.4-43.6175.7-72.3174.2000111.7T52 G53 K54 M58 I59 L60 F101 I104 P106T52-L56 HydrophobicContact CG2-CD1 3.97Å; T52-L56 HydrophobicContact CG2-CG 4.29Å; T52-L56 WeakPolarHBondContact O-CB 3.35Å; T52-L56 VanDerWaalsContact O-CG 3.24Å; T52-L56 WeakPolarHBondContact O-CG 3.07Å; T52-L56 PolarHBondContact O-N 2.84Å; G53-L56 PolarHBondContact O-N 2.78Å; K54-L56 PolarHBondContact O-N 3.44Å; L56-M58 VanDerWaalsContact C-N 3.31Å; L56-M58 PolarHBondContact O-N 3.45Å; L56-I59 PolarHBondContact O-N 2.92Å; L56-L60 VanDerWaalsContact O-CB 3.23Å; L56-L60 WeakPolarHBondContact O-CB 3.46Å; L56-L60 WeakPolarHBondContact O-CG 3.36Å; L56-L60 PolarHBondContact O-N 3.39Å; L56-F101 HydrophobicContact CD2-CB 4.16Å; L56-F101 HydrophobicContact CD2-CD1 3.84Å; L56-F101 HydrophobicContact CD2-CG 4.46Å; L56-F101 WeakPolarHBondContact CD2-O 3.3Å; L56-I104 HydrophobicContact CD1-CB 3.96Å; L56-I104 HydrophobicContact CD1-CG2 3.92Å; L56-I104 WeakPolarHBondContact CD1-O 3.28Å; L56-I104 HydrophobicContact CD2-CB 3.96Å; L56-I104 HydrophobicContact CD2-CD1 4.25Å; L56-I104 HydrophobicContact CD2-CG1 4.47Å; L56-I104 HydrophobicContact CD2-CG2 4.35Å; L56-P106 HydrophobicContact CD1-CG 4.26Å
57N90.9Very high90.8Very high120 Ų12068.4 Ų68.464%0.64240%0.395SS*.Hα-helixtrans-62.9-38.2176.6-70.7-13.4000112.3G53 K54 V55 S61G53-N57 VanDerWaalsContact O-CG 3.26Å; G53-N57 PolarHBondContact O-N 3.33Å; K54-N57 PolarHBondContact O-N 2.9Å; V55-N57 VanDerWaalsContact C-N 3.34Å; V55-N57 PolarHBondContact O-N 3.14Å; N57-S61 WeakPolarHBondContact O-CB 3.42Å; N57-S61 PolarHBondContact O-N 3.01Å; N57-S61 VanDerWaalsContact O-N 3.14Å
58M90.6Very high90.6Very high122 Ų12266.7 Ų66.760%0.60138%0.382SS*.Hα-helixtrans-66.5-48.8175.3-69.5175.5-172.100111.4K54 V55 L56 L60 S61 T64K54-M58 WeakPolarHBondContact O-CG 3.25Å; K54-M58 PolarHBondContact O-N 2.99Å; V55-M58 PolarHBondContact O-N 3.38Å; L56-M58 VanDerWaalsContact C-N 3.31Å; L56-M58 PolarHBondContact O-N 3.45Å; M58-L60 PolarHBondContact O-N 3.11Å; M58-S61 WeakPolarHBondContact O-CB 3.45Å; M58-S61 PolarHBondContact O-N 3.32Å; M58-S61 PolarHBondContact O-OG 3.16Å; M58-T64 VanDerWaalsContact O-CB 3.25Å; M58-T64 WeakPolarHBondContact O-CB 3.47Å; M58-T64 PolarHBondContact O-OG1 3.48Å
59I88.9Confident90.3Very high37 Ų3768.3 Ų68.319%0.1939%0.393CS..Hα-helixtrans-61.2-46179.9-69.3171.8000110.4V55 L56 S61 F98 F101V55-I59 HydrophobicContact CG1-CD1 3.61Å; V55-I59 HydrophobicContact CG1-CG1 4.23Å; V55-I59 WeakPolarHBondContact O-CG1 3.3Å; V55-I59 PolarHBondContact O-N 3.41Å; L56-I59 PolarHBondContact O-N 2.92Å; I59-S61 PolarHBondContact O-N 2.74Å; I59-F98 HydrophobicContact CG2-CD1 4.36Å; I59-F98 HydrophobicContact CG2-CE1 4.12Å; I59-F98 WeakPolarHBondContact O-CE1 3.36Å; I59-F101 HydrophobicContact CD1-CD1 4.12Å; I59-F101 HydrophobicContact CD1-CE1 3.81Å; I59-F101 HydrophobicContact CD1-CE2 4.35Å; I59-F101 HydrophobicContact CD1-CZ 3.94Å; I59-F101 HydrophobicContact CG2-CB 4.33Å; I59-F101 HydrophobicContact CG2-CD1 4.5Å; I59-F101 HydrophobicContact CG2-CD2 3.67Å; I59-F101 HydrophobicContact CG2-CE2 4.03Å; I59-F101 HydrophobicContact CG2-CG 3.94Å
60L89.8Confident90.3Very high59 Ų5971.2 Ų71.231%0.30941%0.406SS..THydrogen-bonded Turntrans-79.9-0.5-176.9-61.5175.6000113.6L56 M58 F98 F101 R102L56-L60 VanDerWaalsContact O-CB 3.23Å; L56-L60 WeakPolarHBondContact O-CB 3.46Å; L56-L60 WeakPolarHBondContact O-CG 3.36Å; L56-L60 PolarHBondContact O-N 3.39Å; M58-L60 PolarHBondContact O-N 3.11Å; L60-F98 HydrophobicContact CD2-CD1 4.2Å; L60-F101 HydrophobicContact CD2-CB 3.97Å; L60-R102 HydrophobicContact CD1-CG 3.98Å; L60-R102 HydrophobicContact CD2-CG 3.58Å; L60-R102 HydrophobicContact CG-CG 4.42Å
61S92.2Very high90.4Very high27 Ų2771.7 Ų71.719%0.18941%0.406CS..SBendtrans-68.1145.2177.371.20000111.3N57 M58 I59 S63 T64 N65N57-S61 WeakPolarHBondContact O-CB 3.42Å; N57-S61 PolarHBondContact O-N 3.01Å; N57-S61 VanDerWaalsContact O-N 3.14Å; M58-S61 WeakPolarHBondContact O-CB 3.45Å; M58-S61 PolarHBondContact O-N 3.32Å; M58-S61 PolarHBondContact O-OG 3.16Å; I59-S61 PolarHBondContact O-N 2.74Å; S61-S63 PolarHBondContact O-N 3.39Å; S61-S63 PolarHBondContact OG-OG 2.9Å; S61-T64 PolarHBondContact O-N 3.27Å; S61-T64 PolarHBondContact OG-N 3Å; S61-T64 PolarHBondContact OG-OG1 2.86Å; S61-N65 PolarHBondContact O-N 3.36Å; S61-N65 VanDerWaalsContact O-N 3.11Å
62P91.9Very high90.2Very high109 Ų10972 Ų7271%0.70840%0.399SS*.Hα-helixtrans-55.9-38.1176.8-27.335.4000113.5N65 E66P62-N65 PolarHBondContact O-N 3.39Å; P62-E66 PolarHBondContact O-N 3.23Å
63S91.2Very high90.2Very high80 Ų8075.8 Ų75.856%0.55942%0.416SS*.Hα-helixtrans-65.6-40.7179.8530000112.7S61 E66 S67S61-S63 PolarHBondContact O-N 3.39Å; S61-S63 PolarHBondContact OG-OG 2.9Å; S63-E66 PolarHBondContact O-N 3.09Å; S63-S67 WeakPolarHBondContact O-CB 3.31Å; S63-S67 PolarHBondContact O-N 3.47Å
64T89.5Confident90.3Very high42 Ų4277.6 Ų77.626%0.25842%0.423SS..Hα-helixtrans-66-41.2173.9-59.10000111.1M58 S61 E66 S67 I68M58-T64 VanDerWaalsContact O-CB 3.25Å; M58-T64 WeakPolarHBondContact O-CB 3.47Å; M58-T64 PolarHBondContact O-OG1 3.48Å; S61-T64 PolarHBondContact O-N 3.27Å; S61-T64 PolarHBondContact OG-N 3Å; S61-T64 PolarHBondContact OG-OG1 2.86Å; T64-E66 VanDerWaalsContact C-N 3.34Å; T64-E66 PolarHBondContact O-N 3.4Å; T64-S67 PolarHBondContact O-N 2.89Å; T64-I68 HydrophobicContact CG2-CD1 3.93Å; T64-I68 HydrophobicContact CG2-CG1 4.27Å; T64-I68 WeakPolarHBondContact O-CG1 3.31Å; T64-I68 PolarHBondContact O-N 2.99Å
65N85.8Confident90.4Very high69 Ų6976.1 Ų76.137%0.36942%0.421SS..Hα-helixtrans-61.1-42177.4-17436000112.4S61 P62 I68 S69 F98S61-N65 PolarHBondContact O-N 3.36Å; S61-N65 VanDerWaalsContact O-N 3.11Å; P62-N65 PolarHBondContact O-N 3.39Å; N65-I68 PolarHBondContact O-N 3.26Å; N65-S69 WeakPolarHBondContact O-CB 3.48Å; N65-S69 PolarHBondContact O-N 3.5Å; N65-S69 PolarHBondContact O-OG 2.87Å; N65-F98 HydrophobicContact CB-CE1 4.49Å; N65-F98 HydrophobicContact CB-CZ 4.03Å; N65-F98 WeakPolarHBondContact OD1-CE2 3.42Å; N65-F98 WeakPolarHBondContact OD1-CZ 3.42Å
66E90.9Very high90.4Very high144 Ų14472.5 Ų72.567%0.67340%0.399SS*.Hα-helixtrans-63.8-45.1175.4-173.8179.7-177.400111.6P62 S63 T64 I68 S69 K70P62-E66 PolarHBondContact O-N 3.23Å; S63-E66 PolarHBondContact O-N 3.09Å; T64-E66 VanDerWaalsContact C-N 3.34Å; T64-E66 PolarHBondContact O-N 3.4Å; E66-I68 PolarHBondContact O-N 2.95Å; E66-S69 PolarHBondContact O-N 2.91Å; E66-K70 WeakPolarHBondContact O-CB 3.44Å; E66-K70 PolarHBondContact O-N 3.26Å
67S90.2Very high90.4Very high71 Ų7176.9 Ų76.950%0.49742%0.421SS..Hα-helixtrans-60.5-44.6177.1-178.80000112.3S63 T64 T71S63-S67 WeakPolarHBondContact O-CB 3.31Å; S63-S67 PolarHBondContact O-N 3.47Å; T64-S67 PolarHBondContact O-N 2.89Å; S67-T71 WeakPolarHBondContact O-CB 3.31Å; S67-T71 PolarHBondContact O-N 2.87Å; S67-T71 PolarHBondContact O-OG1 2.03Å
68I87.1Confident90.5Very high64 Ų6478.2 Ų78.233%0.32842%0.423SS..Hα-helixtrans-63.7-46.1175.7-68.9-178.6000110.6T64 N65 E66 K70 T71 I72 F98T64-I68 HydrophobicContact CG2-CD1 3.93Å; T64-I68 HydrophobicContact CG2-CG1 4.27Å; T64-I68 WeakPolarHBondContact O-CG1 3.31Å; T64-I68 PolarHBondContact O-N 2.99Å; N65-I68 PolarHBondContact O-N 3.26Å; E66-I68 PolarHBondContact O-N 2.95Å; I68-K70 PolarHBondContact O-N 3.45Å; I68-T71 PolarHBondContact O-N 3.35Å; I68-I72 HydrophobicContact CG2-CD1 3.75Å; I68-I72 HydrophobicContact CG2-CG1 4.36Å; I68-I72 WeakPolarHBondContact O-CB 3.46Å; I68-I72 WeakPolarHBondContact O-CG1 3.37Å; I68-I72 PolarHBondContact O-N 2.9Å; I68-F98 HydrophobicContact CD1-CZ 3.89Å
69S87.4Confident90.4Very high52 Ų5275 Ų7536%0.36441%0.41SS..Hα-helixtrans-60.8-44.7-179.8-60.20000111.9N65 E66 T71 I72 E73N65-S69 WeakPolarHBondContact O-CB 3.48Å; N65-S69 PolarHBondContact O-N 3.5Å; N65-S69 PolarHBondContact O-OG 2.87Å; E66-S69 PolarHBondContact O-N 2.91Å; S69-T71 VanDerWaalsContact C-N 3.33Å; S69-T71 PolarHBondContact O-N 3.21Å; S69-I72 WeakPolarHBondContact O-CB 3.25Å; S69-I72 PolarHBondContact O-N 3.39Å; S69-E73 WeakPolarHBondContact O-CB 3.4Å; S69-E73 PolarHBondContact O-N 3.24Å
70K91.8Very high90.3Very high144 Ų14475 Ų7563%0.62642%0.419SS*.Hα-helixtrans-63.9-38.4176.4-174.9174.7-177.1174.70112.6E66 I68 E73 T74E66-K70 WeakPolarHBondContact O-CB 3.44Å; E66-K70 PolarHBondContact O-N 3.26Å; I68-K70 PolarHBondContact O-N 3.45Å; K70-E73 PolarHBondContact O-N 2.98Å; K70-T74 WeakPolarHBondContact O-CB 3.26Å; K70-T74 PolarHBondContact O-N 3.42Å; K70-T74 PolarHBondContact O-OG1 3.45Å
71T91.5Very high90Very high75 Ų7576.2 Ų76.246%0.4643%0.431SS..Hα-helixtrans-65.4-46.7176.2-56.60000110.6S67 I68 S69 E73 T74 L75S67-T71 WeakPolarHBondContact O-CB 3.31Å; S67-T71 PolarHBondContact O-N 2.87Å; S67-T71 PolarHBondContact O-OG1 2.03Å; I68-T71 PolarHBondContact O-N 3.35Å; S69-T71 VanDerWaalsContact C-N 3.33Å; S69-T71 PolarHBondContact O-N 3.21Å; T71-E73 VanDerWaalsContact C-N 3.31Å; T71-E73 PolarHBondContact O-N 3.13Å; T71-T74 PolarHBondContact O-N 3.24Å; T71-L75 HydrophobicContact CG2-CD1 4.13Å; T71-L75 WeakPolarHBondContact O-CG 3.32Å; T71-L75 PolarHBondContact O-N 2.8Å
72I89.8Confident89.7Confident38 Ų3878.6 Ų78.620%0.19544%0.438CS..Hα-helixtrans-56.5-47.1174.3-76.7170.6000110.7I68 S69 T74 L75 C76 A90I68-I72 HydrophobicContact CG2-CD1 3.75Å; I68-I72 HydrophobicContact CG2-CG1 4.36Å; I68-I72 WeakPolarHBondContact O-CB 3.46Å; I68-I72 WeakPolarHBondContact O-CG1 3.37Å; I68-I72 PolarHBondContact O-N 2.9Å; S69-I72 WeakPolarHBondContact O-CB 3.25Å; S69-I72 PolarHBondContact O-N 3.39Å; I72-T74 VanDerWaalsContact C-N 3.35Å; I72-T74 PolarHBondContact O-N 3.28Å; I72-L75 PolarHBondContact O-N 2.86Å; I72-C76 WeakPolarHBondContact O-CB 3.49Å; I72-C76 PolarHBondContact O-N 3.31Å; I72-C76 PolarHBondContact O-SG 3.02Å; I72-A90 HydrophobicContact CB-CB 4.38Å; I72-A90 HydrophobicContact CD1-CB 4.32Å; I72-A90 HydrophobicContact CG1-CB 4.31Å; I72-A90 HydrophobicContact CG2-CB 3.25Å
73E91.2Very high89.4Confident96 Ų9674.7 Ų74.745%0.44941%0.413SS..Hα-helixtrans-61.3-45.3-179.7-176172.9-15900111.5S69 K70 T71 C76 M77S69-E73 WeakPolarHBondContact O-CB 3.4Å; S69-E73 PolarHBondContact O-N 3.24Å; K70-E73 PolarHBondContact O-N 2.98Å; T71-E73 VanDerWaalsContact C-N 3.31Å; T71-E73 PolarHBondContact O-N 3.13Å; E73-C76 PolarHBondContact O-N 3.33Å; E73-M77 HydrophobicContact CG-CE 4.4Å; E73-M77 WeakPolarHBondContact O-CG 3.41Å; E73-M77 PolarHBondContact O-N 2.96Å
74T93Very high89.3Confident59 Ų5974.1 Ų74.136%0.36241%0.406SS..Hα-helixtrans-59.2-50.9177.3-54.70000111.2K70 T71 I72 C76 M77 E78K70-T74 WeakPolarHBondContact O-CB 3.26Å; K70-T74 PolarHBondContact O-N 3.42Å; K70-T74 PolarHBondContact O-OG1 3.45Å; T71-T74 PolarHBondContact O-N 3.24Å; I72-T74 VanDerWaalsContact C-N 3.35Å; I72-T74 PolarHBondContact O-N 3.28Å; T74-C76 VanDerWaalsContact C-N 3.28Å; T74-C76 PolarHBondContact O-N 3.34Å; T74-M77 PolarHBondContact O-N 2.04Å; T74-E78 PolarHBondContact O-N 3.15Å
75L92.6Very high89Confident98 Ų9872.3 Ų72.351%0.51340%0.395SS..Hα-helixtrans-61-38.8178.1-69.8172.6000111.9T71 I72 E78 T79T71-L75 HydrophobicContact CG2-CD1 4.13Å; T71-L75 WeakPolarHBondContact O-CG 3.32Å; T71-L75 PolarHBondContact O-N 2.8Å; I72-L75 PolarHBondContact O-N 2.86Å; L75-E78 PolarHBondContact O-N 3.19Å; L75-T79 WeakPolarHBondContact O-CG2 3.39Å; L75-T79 PolarHBondContact O-N 2.86Å
76C91.7Very high89.2Confident2 Ų270.6 Ų70.61%0.01439%0.388CS..Hα-helixtrans-69.6-34178-730000112.9I72 E73 T74 E78 T79 S83 C86 R87I72-C76 WeakPolarHBondContact O-CB 3.49Å; I72-C76 PolarHBondContact O-N 3.31Å; I72-C76 PolarHBondContact O-SG 3.02Å; E73-C76 PolarHBondContact O-N 3.33Å; T74-C76 VanDerWaalsContact C-N 3.28Å; T74-C76 PolarHBondContact O-N 3.34Å; C76-E78 VanDerWaalsContact C-N 3.27Å; C76-E78 PolarHBondContact O-N 2.97Å; C76-T79 PolarHBondContact O-N 3.48Å; C76-T79 PolarHBondContact O-OG1 2.68Å; C76-S83 VanDerWaalsContact O-CA 3.23Å; C76-S83 WeakPolarHBondContact O-CA 3.37Å; C76-S83 WeakPolarHBondContact O-CB 3.24Å; C76-C86 WeakPolarHBondContact CA-SG 3.22Å; C76-C86 HydrophobicContact CB-CB 3.6Å; C76-C86 WeakPolarHBondContact CB-SG 3.41Å; C76-C86 WeakPolarHBondContact SG-CB 3.05Å; C76-C86 PolarHBondContact SG-O 2.86Å; C76-C86 VanDerWaalsContact SG-O 3.41Å; C76-C86 CovalentContact SG-SG 2.05Å; C76-C86 PolarHBondContact SG-SG 3.45Å; C76-R87 HydrophobicContact CB-CG 3.72Å; C76-R87 PolarHBondContact SG-N 3.36Å; C76-R87 VanDerWaalsContact SG-N 3.39Å
77M91.5Very high89.1Confident107 Ų10768.6 Ų68.653%0.52738%0.375SS..Hα-helixtrans-62.2-37.4172.4-71.3-173.1-68.100111.9E73 T74 T79 G80E73-M77 HydrophobicContact CG-CE 4.4Å; E73-M77 WeakPolarHBondContact O-CG 3.41Å; E73-M77 PolarHBondContact O-N 2.96Å; T74-M77 PolarHBondContact O-N 2.04Å; M77-T79 PolarHBondContact O-N 3.34Å; M77-G80 PolarHBondContact O-N 3.39Å; M77-G80 VanDerWaalsContact O-N 3.13Å
78E92.3Very high89Confident147 Ų14769.3 Ų69.369%0.68737%0.371SS*.Hα-helixtrans-67.2-17.4178.2-66.8175.6175.900113.5T74 L75 C76 G80T74-E78 PolarHBondContact O-N 3.15Å; L75-E78 PolarHBondContact O-N 3.19Å; C76-E78 VanDerWaalsContact C-N 3.27Å; C76-E78 PolarHBondContact O-N 2.97Å; E78-G80 PolarHBondContact O-N 3.39Å
79T87.7Confident88.8Confident55 Ų5569.2 Ų69.234%0.33737%0.368SS..THydrogen-bonded Turntrans-75.4-3.7173.970.70000113.9L75 C76 M77 P81 F82 S83 C86L75-T79 WeakPolarHBondContact O-CG2 3.39Å; L75-T79 PolarHBondContact O-N 2.86Å; C76-T79 PolarHBondContact O-N 3.48Å; C76-T79 PolarHBondContact O-OG1 2.68Å; M77-T79 PolarHBondContact O-N 3.34Å; T79-P81 WeakPolarHBondContact O-CD 3.4Å; T79-F82 PolarHBondContact O-N 3.5Å; T79-F82 PolarHBondContact OG1-O 3.01Å; T79-S83 WeakPolarHBondContact OG1-CA 3.47Å; T79-S83 PolarHBondContact OG1-N 2.71Å; T79-C86 HydrophobicContact CG2-CB 4.41Å
80G86.9Confident88.8Confident36 Ų3667.5 Ų67.537%0.37136%0.358SS..G310 helixtrans59.9-114.4174.100000112.3M77 E78 F82 S83M77-G80 PolarHBondContact O-N 3.39Å; M77-G80 VanDerWaalsContact O-N 3.13Å; E78-G80 PolarHBondContact O-N 3.39Å; G80-F82 PolarHBondContact O-N 3.47Å; G80-S83 VanDerWaalsContact O-CB 3.3Å; G80-S83 WeakPolarHBondContact O-CB 3.44Å; G80-S83 PolarHBondContact O-N 3.31Å; G80-S83 VanDerWaalsContact O-N 3.07Å; G80-S83 PolarHBondContact O-OG 3.26Å; G80-S83 VanDerWaalsContact O-OG 3.09Å
81P84.4Confident88.6Confident86 Ų8664.2 Ų64.256%0.55835%0.352SS*.G310 helixtrans-63.5-3.7179.7-21.934.1000115.6T79 E147 N151T79-P81 WeakPolarHBondContact O-CD 3.4Å; P81-E147 VanDerWaalsContact O-CD 3.24Å; P81-E147 WeakPolarHBondContact O-CG 3.19Å; P81-N151 WeakPolarHBondContact CB-ND2 3.32Å; P81-N151 WeakPolarHBondContact CB-OD1 3.34Å; P81-N151 PolarHBondContact O-ND2 3.23Å
82F85Confident88.1Confident76 Ų7664.4 Ų64.433%0.33335%0.348SS..G310 helixtrans-105.75.2176-66.2-75.7000113.8T79 G80 T84 S85 C86 E147 L148 N151T79-F82 PolarHBondContact O-N 3.5Å; T79-F82 PolarHBondContact OG1-O 3.01Å; G80-F82 PolarHBondContact O-N 3.47Å; F82-T84 VanDerWaalsContact C-N 3.25Å; F82-T84 PolarHBondContact O-N 2.95Å; F82-S85 PolarHBondContact O-N 3.21Å; F82-C86 VanDerWaalsContact O-CB 3.23Å; F82-C86 WeakPolarHBondContact O-CB 3.42Å; F82-C86 PolarHBondContact O-N 3.1Å; F82-E147 WeakPolarHBondContact CA-OE1 2.97Å; F82-E147 HydrophobicContact CD1-CG 4.13Å; F82-E147 PolarHBondContact N-OE1 3.42Å; F82-L148 HydrophobicContact CE1-CB 4.49Å; F82-L148 HydrophobicContact CE1-CD1 3.91Å; F82-L148 HydrophobicContact CZ-CD1 4.22Å; F82-N151 WeakPolarHBondContact CD1-ND2 3.42Å; F82-N151 HydrophobicContact CE1-CB 4.09Å; F82-N151 WeakPolarHBondContact CE1-ND2 3.04Å; F82-N151 HydrophobicContact CE2-CB 4.26Å; F82-N151 HydrophobicContact CZ-CB 3.63Å; F82-N151 WeakPolarHBondContact CZ-ND2 3.28Å
83S86.7Confident87.7Confident28 Ų2865 Ų6520%0.19635%0.352CS..Hα-helixtrans-61.6-29.9-170.659.50000114C76 T79 G80 R87 E147C76-S83 VanDerWaalsContact O-CA 3.23Å; C76-S83 WeakPolarHBondContact O-CA 3.37Å; C76-S83 WeakPolarHBondContact O-CB 3.24Å; T79-S83 WeakPolarHBondContact OG1-CA 3.47Å; T79-S83 PolarHBondContact OG1-N 2.71Å; G80-S83 VanDerWaalsContact O-CB 3.3Å; G80-S83 WeakPolarHBondContact O-CB 3.44Å; G80-S83 PolarHBondContact O-N 3.31Å; G80-S83 VanDerWaalsContact O-N 3.07Å; G80-S83 PolarHBondContact O-OG 3.26Å; G80-S83 VanDerWaalsContact O-OG 3.09Å; S83-R87 WeakPolarHBondContact O-CG 3.39Å; S83-R87 PolarHBondContact O-N 2.85Å; S83-R87 VanDerWaalsContact O-N 3.15Å; S83-R87 PolarHBondContact O-NE 3.14Å; S83-E147 PolarHBondContact N-OE1 3.35Å
84T87.8Confident87.3Confident67 Ų6761.3 Ų61.341%0.41134%0.337SS..Hα-helixtrans-76.4-52-178.4-62.20000110.5F82 C86 R87 M88 E147F82-T84 VanDerWaalsContact C-N 3.25Å; F82-T84 PolarHBondContact O-N 2.95Å; T84-C86 VanDerWaalsContact C-N 3.3Å; T84-C86 PolarHBondContact O-N 3.28Å; T84-R87 PolarHBondContact O-N 2.93Å; T84-M88 HydrophobicContact CG2-CE 4.04Å; T84-M88 PolarHBondContact O-N 3.2Å; T84-M88 VanDerWaalsContact O-N 3.14Å; T84-E147 PolarHBondContact N-OE1 3.39Å
85S84.8Confident86.9Confident5 Ų561 Ų614%0.03534%0.337CS..Hα-helixtrans-61.4-38174.7-720000112.8F82 M88 F89 P143 F144 E147F82-S85 PolarHBondContact O-N 3.21Å; S85-M88 PolarHBondContact O-N 2.85Å; S85-F89 VanDerWaalsContact O-CB 3.24Å; S85-F89 WeakPolarHBondContact O-CB 3.22Å; S85-F89 PolarHBondContact O-N 2.75Å; S85-P143 PolarHBondContact OG-O 3.35Å; S85-F144 VanDerWaalsContact OG-CA 3.24Å; S85-F144 WeakPolarHBondContact OG-CA 3.32Å; S85-F144 PolarHBondContact OG-N 3.16Å; S85-E147 WeakPolarHBondContact CA-OE2 3.05Å; S85-E147 WeakPolarHBondContact CB-OE2 3.47Å; S85-E147 PolarHBondContact N-OE2 3.22Å; S85-E147 PolarHBondContact OG-OE2 3.13Å
86C89.3Confident86.2Confident32 Ų3259.1 Ų59.122%0.21633%0.325CS..Hα-helixtrans-58.4-49.3173.8-179.70000111.3C76 T79 F82 T84 M88 F89 A90C76-C86 WeakPolarHBondContact CA-SG 3.22Å; C76-C86 HydrophobicContact CB-CB 3.6Å; C76-C86 WeakPolarHBondContact CB-SG 3.41Å; C76-C86 WeakPolarHBondContact SG-CB 3.05Å; C76-C86 PolarHBondContact SG-O 2.86Å; C76-C86 VanDerWaalsContact SG-O 3.41Å; C76-C86 CovalentContact SG-SG 2.05Å; C76-C86 PolarHBondContact SG-SG 3.45Å; T79-C86 HydrophobicContact CG2-CB 4.41Å; F82-C86 VanDerWaalsContact O-CB 3.23Å; F82-C86 WeakPolarHBondContact O-CB 3.42Å; F82-C86 PolarHBondContact O-N 3.1Å; T84-C86 VanDerWaalsContact C-N 3.3Å; T84-C86 PolarHBondContact O-N 3.28Å; C86-M88 PolarHBondContact O-N 3.49Å; C86-F89 PolarHBondContact O-N 3.05Å; C86-A90 VanDerWaalsContact O-CB 3.25Å; C86-A90 WeakPolarHBondContact O-CB 3.25Å; C86-A90 PolarHBondContact O-N 2.85Å
87R89.3Confident85.7Confident103 Ų10362.4 Ų62.439%0.38935%0.345SS..Hα-helixtrans-60-45.4-179.6-79.3-178.6-68.2-157.91.3112.1C76 S83 T84 S91C76-R87 HydrophobicContact CB-CG 3.72Å; C76-R87 PolarHBondContact SG-N 3.36Å; C76-R87 VanDerWaalsContact SG-N 3.39Å; S83-R87 WeakPolarHBondContact O-CG 3.39Å; S83-R87 PolarHBondContact O-N 2.85Å; S83-R87 VanDerWaalsContact O-N 3.15Å; S83-R87 PolarHBondContact O-NE 3.14Å; T84-R87 PolarHBondContact O-N 2.93Å; R87-S91 WeakPolarHBondContact O-CB 3.39Å; R87-S91 PolarHBondContact O-N 3.5Å
88M86.7Confident85.3Confident85 Ų8558.2 Ų58.242%0.41932%0.324SS..Hα-helixtrans-61.8-46.4176.5-73.7-176.5-67.400111.8T84 S85 C86 S91 E92 P143T84-M88 HydrophobicContact CG2-CE 4.04Å; T84-M88 PolarHBondContact O-N 3.2Å; T84-M88 VanDerWaalsContact O-N 3.14Å; S85-M88 PolarHBondContact O-N 2.85Å; C86-M88 PolarHBondContact O-N 3.49Å; M88-S91 PolarHBondContact O-N 2.92Å; M88-E92 PolarHBondContact O-N 2.92Å; M88-E92 VanDerWaalsContact O-N 3.09Å; M88-P143 HydrophobicContact CE-CB 3.33Å; M88-P143 HydrophobicContact CE-CG 3.44Å; M88-P143 VanDerWaalsContact CE-CG 3.44Å; M88-P143 HydrophobicContact SD-CB 4.24Å; M88-P143 HydrophobicContact SD-CG 3.87Å
89F84Confident84.9Confident62 Ų6257.8 Ų57.827%0.27232%0.317SS..Hα-helixtrans-61.9-49.4-179.7-176.8-103.6000111.9S85 C86 E92 L93 M138S85-F89 VanDerWaalsContact O-CB 3.24Å; S85-F89 WeakPolarHBondContact O-CB 3.22Å; S85-F89 PolarHBondContact O-N 2.75Å; C86-F89 PolarHBondContact O-N 3.05Å; F89-E92 PolarHBondContact O-N 3.4Å; F89-L93 HydrophobicContact CD1-CD1 3.83Å; F89-L93 HydrophobicContact CD1-CG 4.43Å; F89-L93 HydrophobicContact CE1-CD1 3.2Å; F89-L93 HydrophobicContact CE1-CG 4.1Å; F89-L93 HydrophobicContact CE2-CD1 4.26Å; F89-L93 HydrophobicContact CE2-CG 4.45Å; F89-L93 HydrophobicContact CZ-CD1 3.44Å; F89-L93 VanDerWaalsContact CZ-CD1 3.44Å; F89-L93 HydrophobicContact CZ-CG 4.09Å; F89-L93 WeakPolarHBondContact O-CG 3.23Å; F89-L93 PolarHBondContact O-N 3.06Å; F89-M138 HydrophobicContact CB-SD 4.31Å; F89-M138 HydrophobicContact CD2-CB 3.78Å; F89-M138 HydrophobicContact CD2-CE 4.28Å; F89-M138 HydrophobicContact CD2-CG 4.17Å; F89-M138 HydrophobicContact CD2-SD 3.23Å; F89-M138 WeakPolarHBondContact CD2-SD 3.26Å; F89-M138 HydrophobicContact CE2-CB 4.07Å; F89-M138 HydrophobicContact CE2-CE 4.33Å; F89-M138 HydrophobicContact CE2-CG 4.47Å; F89-M138 HydrophobicContact CE2-SD 3.75Å; F89-M138 HydrophobicContact CG-SD 4.05Å
90A87.8Confident84.5Confident17 Ų1760 Ų6014%0.1433%0.326CS..Hα-helixtrans-69.1-35.6-177.600000112.2I72 C86 S94I72-A90 HydrophobicContact CB-CB 4.38Å; I72-A90 HydrophobicContact CD1-CB 4.32Å; I72-A90 HydrophobicContact CG1-CB 4.31Å; I72-A90 HydrophobicContact CG2-CB 3.25Å; C86-A90 VanDerWaalsContact O-CB 3.25Å; C86-A90 WeakPolarHBondContact O-CB 3.25Å; C86-A90 PolarHBondContact O-N 2.85Å; A90-S94 VanDerWaalsContact O-CB 3.24Å; A90-S94 WeakPolarHBondContact O-CB 3.18Å; A90-S94 PolarHBondContact O-N 3.48Å; A90-S94 PolarHBondContact O-OG 2.88Å
91S85.8Confident84.5Confident74 Ų7461.2 Ų61.252%0.51732%0.321SS..Hα-helixtrans-64.3-41.5174-175.80000112.4R87 M88 S94 S95R87-S91 WeakPolarHBondContact O-CB 3.39Å; R87-S91 PolarHBondContact O-N 3.5Å; M88-S91 PolarHBondContact O-N 2.92Å; S91-S94 PolarHBondContact O-OG 3.09Å; S91-S95 WeakPolarHBondContact O-CB 3.4Å; S91-S95 PolarHBondContact O-N 3.27Å
92E82.9Confident84.6Confident80 Ų8065.8 Ų65.837%0.37433%0.328SS..Hα-helixtrans-73.3-38179-179.259.9-154.600111.5M88 F89 S95 Q96 L134 M138M88-E92 PolarHBondContact O-N 2.92Å; M88-E92 VanDerWaalsContact O-N 3.09Å; F89-E92 PolarHBondContact O-N 3.4Å; E92-S95 PolarHBondContact O-OG 2.94Å; E92-Q96 WeakPolarHBondContact O-CG 3.39Å; E92-Q96 PolarHBondContact O-N 3.25Å; E92-Q96 PolarHBondContact OE1-NE2 3.29Å; E92-L134 HydrophobicContact CG-CD1 4.04Å; E92-M138 HydrophobicContact CB-CE 3.53Å; E92-M138 HydrophobicContact CB-SD 3.84Å; E92-M138 HydrophobicContact CG-CE 3.22Å; E92-M138 HydrophobicContact CG-SD 3.96Å
93L80.6Confident84.7Confident50 Ų5067.5 Ų67.526%0.26234%0.336SS..Hα-helixtrans-65.5-43.9173.5-76.5-173.2000112.2F89 S95 Q96 V97 L134 M138F89-L93 HydrophobicContact CD1-CD1 3.83Å; F89-L93 HydrophobicContact CD1-CG 4.43Å; F89-L93 HydrophobicContact CE1-CD1 3.2Å; F89-L93 HydrophobicContact CE1-CG 4.1Å; F89-L93 HydrophobicContact CE2-CD1 4.26Å; F89-L93 HydrophobicContact CE2-CG 4.45Å; F89-L93 HydrophobicContact CZ-CD1 3.44Å; F89-L93 VanDerWaalsContact CZ-CD1 3.44Å; F89-L93 HydrophobicContact CZ-CG 4.09Å; F89-L93 WeakPolarHBondContact O-CG 3.23Å; F89-L93 PolarHBondContact O-N 3.06Å; L93-S95 VanDerWaalsContact C-N 3.34Å; L93-S95 PolarHBondContact O-N 3.35Å; L93-Q96 PolarHBondContact O-N 3.39Å; L93-V97 WeakPolarHBondContact O-CB 3.29Å; L93-V97 VanDerWaalsContact O-CG2 3.29Å; L93-V97 WeakPolarHBondContact O-CG2 3.3Å; L93-V97 PolarHBondContact O-N 2.9Å; L93-L134 HydrophobicContact CD2-CD2 3.82Å; L93-M138 HydrophobicContact CD2-CE 3.91Å; L93-M138 HydrophobicContact CG-CE 4.02Å
94S82.7Confident84.5Confident19 Ų1968.1 Ų68.113%0.13334%0.337CS..Hα-helixtrans-62.1-45.2179.569.60000110.4A90 S91 Q96 V97 F98A90-S94 VanDerWaalsContact O-CB 3.24Å; A90-S94 WeakPolarHBondContact O-CB 3.18Å; A90-S94 PolarHBondContact O-N 3.48Å; A90-S94 PolarHBondContact O-OG 2.88Å; S91-S94 PolarHBondContact O-OG 3.09Å; S94-Q96 VanDerWaalsContact C-N 3.28Å; S94-Q96 PolarHBondContact O-N 3.48Å; S94-V97 PolarHBondContact O-N 3.47Å; S94-F98 WeakPolarHBondContact O-CD2 3.2Å; S94-F98 PolarHBondContact O-N 3.15Å
95S84.4Confident84.4Confident53 Ų5368.4 Ų68.437%0.37134%0.338SS..Hα-helixtrans-57.2-41.617879.50000111.9S91 E92 L93 Y99S91-S95 WeakPolarHBondContact O-CB 3.4Å; S91-S95 PolarHBondContact O-N 3.27Å; E92-S95 PolarHBondContact O-OG 2.94Å; L93-S95 VanDerWaalsContact C-N 3.34Å; L93-S95 PolarHBondContact O-N 3.35Å; S95-Y99 WeakPolarHBondContact O-CB 3.17Å; S95-Y99 PolarHBondContact O-N 3.25Å
96Q79Confident84.5Confident57 Ų5770 Ų7027%0.26635%0.349SS..Hα-helixtrans-72-39.3177.6-71.2-167.531.300113.5E92 L93 S94 F98 Y99 L100 L134E92-Q96 WeakPolarHBondContact O-CG 3.39Å; E92-Q96 PolarHBondContact O-N 3.25Å; E92-Q96 PolarHBondContact OE1-NE2 3.29Å; L93-Q96 PolarHBondContact O-N 3.39Å; S94-Q96 VanDerWaalsContact C-N 3.28Å; S94-Q96 PolarHBondContact O-N 3.48Å; Q96-F98 VanDerWaalsContact C-N 3.34Å; Q96-Y99 WeakPolarHBondContact O-CB 3.4Å; Q96-Y99 PolarHBondContact O-N 3.35Å; Q96-L100 VanDerWaalsContact O-CG 3.3Å; Q96-L100 WeakPolarHBondContact O-CG 3.2Å; Q96-L100 PolarHBondContact O-N 3.23Å; Q96-L134 HydrophobicContact CG-CD2 4.41Å
97V80.3Confident84.4Confident71 Ų7171.7 Ų71.743%0.4335%0.353SS..Hα-helixtrans-62-44.9174.2168.60000110.2L93 S94 Y99 L100 F101L93-V97 WeakPolarHBondContact O-CB 3.29Å; L93-V97 VanDerWaalsContact O-CG2 3.29Å; L93-V97 WeakPolarHBondContact O-CG2 3.3Å; L93-V97 PolarHBondContact O-N 2.9Å; S94-V97 PolarHBondContact O-N 3.47Å; V97-Y99 PolarHBondContact O-N 3.4Å; V97-L100 WeakPolarHBondContact O-CB 3.36Å; V97-L100 PolarHBondContact O-N 3.47Å; V97-F101 HydrophobicContact CG1-CD2 3.65Å; V97-F101 HydrophobicContact CG1-CE2 3.33Å; V97-F101 HydrophobicContact CG1-CZ 4.41Å; V97-F101 WeakPolarHBondContact O-CD2 3.29Å; V97-F101 PolarHBondContact O-N 3.01Å
98F83.1Confident84.2Confident20 Ų2072.5 Ų72.59%0.08836%0.36CS..Hα-helixtrans-62.5-41.5173.7-78.5-63.4000112.5I59 L60 N65 I68 S94 Q96 L100 F101 R102I59-F98 HydrophobicContact CG2-CD1 4.36Å; I59-F98 HydrophobicContact CG2-CE1 4.12Å; I59-F98 WeakPolarHBondContact O-CE1 3.36Å; L60-F98 HydrophobicContact CD2-CD1 4.2Å; N65-F98 HydrophobicContact CB-CE1 4.49Å; N65-F98 HydrophobicContact CB-CZ 4.03Å; N65-F98 WeakPolarHBondContact OD1-CE2 3.42Å; N65-F98 WeakPolarHBondContact OD1-CZ 3.42Å; I68-F98 HydrophobicContact CD1-CZ 3.89Å; S94-F98 WeakPolarHBondContact O-CD2 3.2Å; S94-F98 PolarHBondContact O-N 3.15Å; Q96-F98 VanDerWaalsContact C-N 3.34Å; F98-L100 VanDerWaalsContact C-N 3.31Å; F98-L100 PolarHBondContact O-N 3.43Å; F98-F101 PolarHBondContact O-N 2.77Å; F98-R102 WeakPolarHBondContact O-CG 3.44Å; F98-R102 PolarHBondContact O-N 2.9Å
99Y83.6Confident84.1Confident137 Ų13773.6 Ų73.654%0.53736%0.359SS..Hα-helixtrans-57.9-45.3173.2178.1-91000111S95 Q96 V97 R102 H103S95-Y99 WeakPolarHBondContact O-CB 3.17Å; S95-Y99 PolarHBondContact O-N 3.25Å; Q96-Y99 WeakPolarHBondContact O-CB 3.4Å; Q96-Y99 PolarHBondContact O-N 3.35Å; V97-Y99 PolarHBondContact O-N 3.4Å; Y99-R102 PolarHBondContact O-N 3.11Å; Y99-H103 AromaticContact CD2-CE1 3.65Å; Y99-H103 AromaticContact CE1-CE1 3.9Å; Y99-H103 AromaticContact CE1-ND1 3.86Å; Y99-H103 AromaticContact CE2-CE1 3.2Å; Y99-H103 WeakPolarHBondContact CE2-CE1 3.44Å; Y99-H103 AromaticContact CE2-ND1 3.89Å; Y99-H103 AromaticContact CE2-NE2 3.98Å; Y99-H103 AromaticContact CZ-CE1 3.34Å; Y99-H103 AromaticContact CZ-ND1 3.78Å; Y99-H103 AromaticContact CZ-NE2 3.88Å; Y99-H103 PolarHBondContact O-N 3.19Å; Y99-H103 PolarHBondContact O-ND1 3.49Å
100L80.5Confident84.3Confident101 Ų10170.7 Ų70.753%0.52935%0.347SS..Hα-helixtrans-60.3-47.9175.9-70.2172000111.4Q96 V97 F98 R102 H103 I104Q96-L100 VanDerWaalsContact O-CG 3.3Å; Q96-L100 WeakPolarHBondContact O-CG 3.2Å; Q96-L100 PolarHBondContact O-N 3.23Å; V97-L100 WeakPolarHBondContact O-CB 3.36Å; V97-L100 PolarHBondContact O-N 3.47Å; F98-L100 VanDerWaalsContact C-N 3.31Å; F98-L100 PolarHBondContact O-N 3.43Å; L100-R102 VanDerWaalsContact C-N 3.33Å; L100-R102 PolarHBondContact O-N 2.86Å; L100-H103 PolarHBondContact O-N 3.3Å; L100-I104 WeakPolarHBondContact O-CG1 3.36Å; L100-I104 PolarHBondContact O-N 2.91Å
101F85.4Confident84.2Confident62 Ų6270 Ų7027%0.27234%0.341SS..Hα-helixtrans-58.6-41.5177.9-78-59.2000112.7L56 I59 L60 V97 F98 H103 I104L56-F101 HydrophobicContact CD2-CB 4.16Å; L56-F101 HydrophobicContact CD2-CD1 3.84Å; L56-F101 HydrophobicContact CD2-CG 4.46Å; L56-F101 WeakPolarHBondContact CD2-O 3.3Å; I59-F101 HydrophobicContact CD1-CD1 4.12Å; I59-F101 HydrophobicContact CD1-CE1 3.81Å; I59-F101 HydrophobicContact CD1-CE2 4.35Å; I59-F101 HydrophobicContact CD1-CZ 3.94Å; I59-F101 HydrophobicContact CG2-CB 4.33Å; I59-F101 HydrophobicContact CG2-CD1 4.5Å; I59-F101 HydrophobicContact CG2-CD2 3.67Å; I59-F101 HydrophobicContact CG2-CE2 4.03Å; I59-F101 HydrophobicContact CG2-CG 3.94Å; L60-F101 HydrophobicContact CD2-CB 3.97Å; V97-F101 HydrophobicContact CG1-CD2 3.65Å; V97-F101 HydrophobicContact CG1-CE2 3.33Å; V97-F101 HydrophobicContact CG1-CZ 4.41Å; V97-F101 WeakPolarHBondContact O-CD2 3.29Å; V97-F101 PolarHBondContact O-N 3.01Å; F98-F101 PolarHBondContact O-N 2.77Å; F101-H103 PolarHBondContact O-N 3.28Å; F101-H103 VanDerWaalsContact O-N 3.16Å; F101-I104 HydrophobicContact CD1-CD1 3.61Å; F101-I104 HydrophobicContact CE1-CD1 4.05Å; F101-I104 PolarHBondContact O-N 3.48Å; F101-I104 VanDerWaalsContact O-N 3.1Å
102R87.7Confident84Confident183 Ų18371.1 Ų71.169%0.69134%0.337SS*.Hα-helixtrans-58-28.4175.6-74.6-179.5-178168.81.9113.5L60 F98 Y99 L100L60-R102 HydrophobicContact CD1-CG 3.98Å; L60-R102 HydrophobicContact CD2-CG 3.58Å; L60-R102 HydrophobicContact CG-CG 4.42Å; F98-R102 WeakPolarHBondContact O-CG 3.44Å; F98-R102 PolarHBondContact O-N 2.9Å; Y99-R102 PolarHBondContact O-N 3.11Å; L100-R102 VanDerWaalsContact C-N 3.33Å; L100-R102 PolarHBondContact O-N 2.86Å
103H85.4Confident84Confident111 Ų11171 Ų7151%0.51434%0.338SS..THydrogen-bonded Turntrans-99.12.5-178.2-64.482.7000113.2Y99 L100 F101 V105Y99-H103 AromaticContact CD2-CE1 3.65Å; Y99-H103 AromaticContact CE1-CE1 3.9Å; Y99-H103 AromaticContact CE1-ND1 3.86Å; Y99-H103 AromaticContact CE2-CE1 3.2Å; Y99-H103 WeakPolarHBondContact CE2-CE1 3.44Å; Y99-H103 AromaticContact CE2-ND1 3.89Å; Y99-H103 AromaticContact CE2-NE2 3.98Å; Y99-H103 AromaticContact CZ-CE1 3.34Å; Y99-H103 AromaticContact CZ-ND1 3.78Å; Y99-H103 AromaticContact CZ-NE2 3.88Å; Y99-H103 PolarHBondContact O-N 3.19Å; Y99-H103 PolarHBondContact O-ND1 3.49Å; L100-H103 PolarHBondContact O-N 3.3Å; F101-H103 PolarHBondContact O-N 3.28Å; F101-H103 VanDerWaalsContact O-N 3.16Å; H103-V105 PolarHBondContact O-N 3.3Å
104I84Confident84Confident42 Ų4270.3 Ų70.322%0.21534%0.344CS..  trans-69.6117.2173.3-65.3-171.1000108.9T52 L56 L100 F101 P106 W109T52-I104 HydrophobicContact CG2-CG2 4.24Å; L56-I104 HydrophobicContact CD1-CB 3.96Å; L56-I104 HydrophobicContact CD1-CG2 3.92Å; L56-I104 WeakPolarHBondContact CD1-O 3.28Å; L56-I104 HydrophobicContact CD2-CB 3.96Å; L56-I104 HydrophobicContact CD2-CD1 4.25Å; L56-I104 HydrophobicContact CD2-CG1 4.47Å; L56-I104 HydrophobicContact CD2-CG2 4.35Å; L100-I104 WeakPolarHBondContact O-CG1 3.36Å; L100-I104 PolarHBondContact O-N 2.91Å; F101-I104 HydrophobicContact CD1-CD1 3.61Å; F101-I104 HydrophobicContact CE1-CD1 4.05Å; F101-I104 PolarHBondContact O-N 3.48Å; F101-I104 VanDerWaalsContact O-N 3.1Å; I104-P106 WeakPolarHBondContact O-CD 3.44Å; I104-W109 HydrophobicContact CG2-CB 3.81Å; I104-W109 HydrophobicContact CG2-CG 4.13Å
105V86Confident84.2Confident72 Ų7271.4 Ų71.444%0.43635%0.346SS..  trans-90.4117.3170.9178.10000108.3H103 Q107 K108 W109H103-V105 PolarHBondContact O-N 3.3Å; V105-Q107 VanDerWaalsContact C-N 3.28Å; V105-Q107 HydrophobicContact CG1-CB 4.33Å; V105-Q107 PolarHBondContact O-N 3.27Å; V105-Q107 VanDerWaalsContact O-N 3.14Å; V105-K108 HydrophobicContact CB-CB 4.08Å; V105-K108 HydrophobicContact CB-CD 4.19Å; V105-K108 HydrophobicContact CB-CG 4.26Å; V105-K108 HydrophobicContact CG1-CB 4.45Å; V105-K108 HydrophobicContact CG1-CG 4.36Å; V105-K108 WeakPolarHBondContact O-CB 3.46Å; V105-K108 PolarHBondContact O-N 2.96Å; V105-W109 PolarHBondContact O-N 3.46Å
106P87Confident84.3Confident39 Ų3969.1 Ų69.125%0.25333%0.33SS..Hα-helixtrans-51.7-41.5-175.3-32.136.8000114.5K49 T52 L56 I104 K108 W109 C110K49-P106 HydrophobicContact CB-CB 4.26Å; K49-P106 HydrophobicContact CG-CB 4.34Å; T52-P106 HydrophobicContact CG2-CB 4.06Å; T52-P106 HydrophobicContact CG2-CG 4.23Å; L56-P106 HydrophobicContact CD1-CG 4.26Å; I104-P106 WeakPolarHBondContact O-CD 3.44Å; P106-K108 PolarHBondContact O-N 2.87Å; P106-W109 PolarHBondContact O-N 3.2Å; P106-C110 VanDerWaalsContact O-CB 3.26Å; P106-C110 WeakPolarHBondContact O-CB 3.48Å; P106-C110 PolarHBondContact O-N 3.47Å; P106-C110 PolarHBondContact O-SG 3.34Å
107Q85.9Confident84.4Confident67 Ų6771.2 Ų71.231%0.31334%0.336SS..Hα-helixtrans-57-49175.9179.870.537.700112K49 V105 C110 A111K49-Q107 VanDerWaalsContact CE-OE1 3.26Å; V105-Q107 VanDerWaalsContact C-N 3.28Å; V105-Q107 HydrophobicContact CG1-CB 4.33Å; V105-Q107 PolarHBondContact O-N 3.27Å; V105-Q107 VanDerWaalsContact O-N 3.14Å; Q107-C110 PolarHBondContact O-N 2.9Å; Q107-A111 VanDerWaalsContact O-CB 3.3Å; Q107-A111 WeakPolarHBondContact O-CB 3.45Å; Q107-A111 PolarHBondContact O-N 2.83Å
108K84.6Confident83.9Confident121 Ų12177.6 Ų77.653%0.52635%0.354SS..Hα-helixtrans-66.3-43.1-177.4-81.9-173.3-176.91770111V105 P106 A111 F112 P120V105-K108 HydrophobicContact CB-CB 4.08Å; V105-K108 HydrophobicContact CB-CD 4.19Å; V105-K108 HydrophobicContact CB-CG 4.26Å; V105-K108 HydrophobicContact CG1-CB 4.45Å; V105-K108 HydrophobicContact CG1-CG 4.36Å; V105-K108 WeakPolarHBondContact O-CB 3.46Å; V105-K108 PolarHBondContact O-N 2.96Å; P106-K108 PolarHBondContact O-N 2.87Å; K108-A111 PolarHBondContact O-N 2.81Å; K108-F112 WeakPolarHBondContact O-CB 3.35Å; K108-F112 PolarHBondContact O-N 3.45Å; K108-P120 HydrophobicContact CB-CB 4.3Å; K108-P120 HydrophobicContact CB-CG 3.74Å; K108-P120 HydrophobicContact CD-CB 4.16Å; K108-P120 HydrophobicContact CD-CG 4.5Å; K108-P120 HydrophobicContact CG-CB 4.08Å; K108-P120 HydrophobicContact CG-CG 4.06Å; K108-P120 WeakPolarHBondContact O-CD 3.33Å; K108-P120 WeakPolarHBondContact O-CG 3.33Å
109W85.8Confident82.6Confident108 Ų10880.9 Ų80.941%0.40938%0.377SS..Hα-helixtrans-62.1-48.2175.7-175.6-113.9000112T52 I104 V105 P106 A111 F112 L113T52-W109 HydrophobicContact CG2-CB 4.29Å; T52-W109 HydrophobicContact CG2-CG 4.19Å; I104-W109 HydrophobicContact CG2-CB 3.81Å; I104-W109 HydrophobicContact CG2-CG 4.13Å; V105-W109 PolarHBondContact O-N 3.46Å; P106-W109 PolarHBondContact O-N 3.2Å; W109-A111 VanDerWaalsContact C-N 3.31Å; W109-A111 PolarHBondContact O-N 3.28Å; W109-F112 HydrophobicContact CE3-CD1 4.14Å; W109-F112 HydrophobicContact CH2-CD1 4.45Å; W109-F112 HydrophobicContact CH2-CE1 4.38Å; W109-F112 AromaticContact CZ3-CD1 3.94Å; W109-F112 HydrophobicContact CZ3-CD1 3.94Å; W109-F112 HydrophobicContact CZ3-CE1 4.13Å; W109-F112 WeakPolarHBondContact O-CB 3.32Å; W109-F112 PolarHBondContact O-N 3.22Å; W109-L113 HydrophobicContact CZ2-CD1 4.46Å; W109-L113 WeakPolarHBondContact O-CG 3.41Å; W109-L113 PolarHBondContact O-N 3.04Å
110C87.9Confident81.3Confident0 Ų076 Ų760%036%0.363CS..Hα-helixtrans-65-34.7178.1-69.10000113.2C48 K49 T52 P106 Q107 L113 G114 F115 C116C48-C110 HydrophobicContact CB-CB 3.75Å; C48-C110 WeakPolarHBondContact CB-SG 3.48Å; C48-C110 PolarHBondContact O-SG 3.44Å; C48-C110 WeakPolarHBondContact SG-CA 3.3Å; C48-C110 WeakPolarHBondContact SG-CB 3.07Å; C48-C110 CovalentContact SG-SG 2.03Å; C48-C110 PolarHBondContact SG-SG 3.28Å; K49-C110 HydrophobicContact CG-CB 4.44Å; K49-C110 PolarHBondContact N-SG 3Å; T52-C110 PolarHBondContact OG1-SG 2.82Å; P106-C110 VanDerWaalsContact O-CB 3.26Å; P106-C110 WeakPolarHBondContact O-CB 3.48Å; P106-C110 PolarHBondContact O-N 3.47Å; P106-C110 PolarHBondContact O-SG 3.34Å; Q107-C110 PolarHBondContact O-N 2.9Å; C110-L113 CarbonylContact O-C 3.55Å; C110-L113 PolarHBondContact O-N 2.98Å; C110-G114 PolarHBondContact O-N 3.28Å; C110-G114 VanDerWaalsContact O-N 3.14Å; C110-F115 HydrophobicContact CB-CB 4.4Å; C110-F115 PolarHBondContact O-N 3.46Å; C110-C116 HydrophobicContact CB-CB 4.25Å; C110-C116 WeakPolarHBondContact CB-SG 3.44Å; C110-C116 PolarHBondContact O-N 3.44Å
111A85.4Confident80.3Confident3 Ų379.1 Ų79.13%0.02538%0.378CS..Hα-helixtrans-70.2-38.8174.400000112Q107 K108 W109 L113 G114 C116 Y117 Y118Q107-A111 VanDerWaalsContact O-CB 3.3Å; Q107-A111 WeakPolarHBondContact O-CB 3.45Å; Q107-A111 PolarHBondContact O-N 2.83Å; K108-A111 PolarHBondContact O-N 2.81Å; W109-A111 VanDerWaalsContact C-N 3.31Å; W109-A111 PolarHBondContact O-N 3.28Å; A111-L113 VanDerWaalsContact C-N 3.26Å; A111-L113 PolarHBondContact O-N 3.43Å; A111-G114 PolarHBondContact O-N 2.91Å; A111-C116 WeakPolarHBondContact CA-O 3.27Å; A111-C116 HydrophobicContact CB-CB 3.9Å; A111-C116 WeakPolarHBondContact CB-O 3.44Å; A111-Y117 WeakPolarHBondContact CB-O 3.35Å; A111-Y118 WeakPolarHBondContact CB-O 3.37Å
112F81.4Confident79.1Confident98 Ų9878.9 Ų78.943%0.4338%0.382SS..Hα-helixtrans-58.4-38.5171169.4-100.5000112.2K108 W109 G114 V122K108-F112 WeakPolarHBondContact O-CB 3.35Å; K108-F112 PolarHBondContact O-N 3.45Å; W109-F112 HydrophobicContact CE3-CD1 4.14Å; W109-F112 HydrophobicContact CH2-CD1 4.45Å; W109-F112 HydrophobicContact CH2-CE1 4.38Å; W109-F112 AromaticContact CZ3-CD1 3.94Å; W109-F112 HydrophobicContact CZ3-CD1 3.94Å; W109-F112 HydrophobicContact CZ3-CE1 4.13Å; W109-F112 WeakPolarHBondContact O-CB 3.32Å; W109-F112 PolarHBondContact O-N 3.22Å; F112-G114 PolarHBondContact O-N 3.27Å; F112-V122 HydrophobicContact CD2-CB 4.49Å; F112-V122 HydrophobicContact CD2-CG2 3.6Å; F112-V122 HydrophobicContact CE2-CG2 4.06Å; F112-V122 HydrophobicContact CG-CG2 4.19Å
113L83.5Confident78.5Confident76 Ų7673 Ų7340%0.39837%0.367SS..THydrogen-bonded Turntrans-76.4-6174.3-64.1177.8000113.9W109 C110 A111 F115W109-L113 HydrophobicContact CZ2-CD1 4.46Å; W109-L113 WeakPolarHBondContact O-CG 3.41Å; W109-L113 PolarHBondContact O-N 3.04Å; C110-L113 CarbonylContact O-C 3.55Å; C110-L113 PolarHBondContact O-N 2.98Å; A111-L113 VanDerWaalsContact C-N 3.26Å; A111-L113 PolarHBondContact O-N 3.43Å; L113-F115 HydrophobicContact CB-CD2 3.62Å; L113-F115 HydrophobicContact CB-CE2 3.84Å; L113-F115 HydrophobicContact CD1-CD2 4.3Å; L113-F115 HydrophobicContact CD1-CE2 4.21Å
114G81Confident78.2Confident37 Ų3770.7 Ų70.738%0.38136%0.36SS..THydrogen-bonded Turntrans82.110.9179.900000115.2C110 A111 F112C110-G114 PolarHBondContact O-N 3.28Å; C110-G114 VanDerWaalsContact O-N 3.14Å; A111-G114 PolarHBondContact O-N 2.91Å; F112-G114 PolarHBondContact O-N 3.27Å
115F86.7Confident78.1Confident42 Ų4270.6 Ų70.618%0.18436%0.363CS..SBendtrans-86.8-18.3176.3-64.3-60.8000113.6L28 P40 Q44 C45 C48 C110 L113L28-F115 HydrophobicContact CD2-CZ 4.07Å; P40-F115 WeakPolarHBondContact CB-O 3.39Å; Q44-F115 HydrophobicContact CB-CD1 4.18Å; C45-F115 VanDerWaalsContact CA-O 3.22Å; C45-F115 WeakPolarHBondContact CA-O 3.41Å; C45-F115 WeakPolarHBondContact CB-O 3.04Å; C45-F115 PolarHBondContact N-O 2.96Å; C48-F115 HydrophobicContact CB-CB 3.81Å; C48-F115 HydrophobicContact CB-CD2 3.96Å; C48-F115 HydrophobicContact CB-CG 4.05Å; C110-F115 HydrophobicContact CB-CB 4.4Å; C110-F115 PolarHBondContact O-N 3.46Å; L113-F115 HydrophobicContact CB-CD2 3.62Å; L113-F115 HydrophobicContact CB-CE2 3.84Å; L113-F115 HydrophobicContact CD1-CD2 4.3Å; L113-F115 HydrophobicContact CD1-CE2 4.21Å
116C85.9Confident77.9Confident5 Ų575.1 Ų75.13%0.03437%0.372CS..SBendtrans-127.9157.9176.9-64.60000110.6C45 C110 A111C45-C116 WeakPolarHBondContact CA-SG 3.49Å; C45-C116 HydrophobicContact CB-CB 3.99Å; C45-C116 WeakPolarHBondContact CB-SG 3.43Å; C45-C116 WeakPolarHBondContact SG-CB 3.47Å; C45-C116 CovalentContact SG-SG 2.04Å; C45-C116 PolarHBondContact SG-SG 3.27Å; C110-C116 HydrophobicContact CB-CB 4.25Å; C110-C116 WeakPolarHBondContact CB-SG 3.44Å; C110-C116 PolarHBondContact O-N 3.44Å; A111-C116 WeakPolarHBondContact CA-O 3.27Å; A111-C116 HydrophobicContact CB-CB 3.9Å; A111-C116 WeakPolarHBondContact CB-O 3.44Å
117Y80.4Confident77.6Confident101 Ų10176.1 Ų76.140%0.39638%0.379SS..SBendtrans-66.7154.7166.3-75.5-77.2000112.1Q39 P40 A111Q39-Y117 WeakPolarHBondContact CA-OH 3.45Å; Q39-Y117 WeakPolarHBondContact CB-OH 3.15Å; Q39-Y117 WeakPolarHBondContact CG-OH 3.35Å; Q39-Y117 PolarHBondContact NE2-OH 3.3Å; Q39-Y117 PolarHBondContact OE1-OH 2.03Å; P40-Y117 VanDerWaalsContact CD-CZ 3.44Å; P40-Y117 HydrophobicContact CG-CD1 4.15Å; P40-Y117 HydrophobicContact CG-CD2 3.68Å; P40-Y117 HydrophobicContact CG-CE1 4.11Å; P40-Y117 HydrophobicContact CG-CE2 3.63Å; P40-Y117 HydrophobicContact CG-CG 3.96Å; A111-Y117 WeakPolarHBondContact CB-O 3.35Å
118Y70.7Confident77.5Confident205 Ų20574.3 Ų74.380%0.80437%0.374SS*.  trans69.268178.5-52.7-83.1000114A111 P120A111-Y118 WeakPolarHBondContact CB-O 3.37Å; Y118-P120 WeakPolarHBondContact O-CD 3.49Å
119P56.9Low77.6Confident88 Ų8869.6 Ų69.657%0.57136%0.355SS*.  trans-55.7120.8168.524.1-31.6000107.6I121P119-I121 PolarHBondContact O-N 3.35Å
120P54.3Low77.5Confident36 Ų3668.7 Ų68.723%0.23436%0.358CS..  trans-58140.6168.330.7-38.9000107.4K108 Y118 V122K108-P120 HydrophobicContact CB-CB 4.3Å; K108-P120 HydrophobicContact CB-CG 3.74Å; K108-P120 HydrophobicContact CD-CB 4.16Å; K108-P120 HydrophobicContact CD-CG 4.5Å; K108-P120 HydrophobicContact CG-CB 4.08Å; K108-P120 HydrophobicContact CG-CG 4.06Å; K108-P120 WeakPolarHBondContact O-CD 3.33Å; K108-P120 WeakPolarHBondContact O-CG 3.33Å; Y118-P120 WeakPolarHBondContact O-CD 3.49Å; P120-V122 HydrophobicContact CG-CG2 4.28Å; P120-V122 PolarHBondContact O-N 3.26Å
121I59.5Low77.1Confident165 Ų16571.5 Ų71.585%0.84638%0.375SS*.  trans-65.895.7165.2-58.9171.2000105.6P119 P123P119-I121 PolarHBondContact O-N 3.35Å; I121-P123 VanDerWaalsContact O-CD 3.31Å; I121-P123 WeakPolarHBondContact O-CD 3.48Å
122V61.9Low77.1Confident58 Ų5872.1 Ų72.135%0.35238%0.383SS..  trans-68.4119.7172.3-179.20000106.1F112 P120 V124F112-V122 HydrophobicContact CD2-CB 4.49Å; F112-V122 HydrophobicContact CD2-CG2 3.6Å; F112-V122 HydrophobicContact CE2-CG2 4.06Å; F112-V122 HydrophobicContact CG-CG2 4.19Å; P120-V122 HydrophobicContact CG-CG2 4.28Å; P120-V122 PolarHBondContact O-N 3.26Å; V122-V124 HydrophobicContact CB-CG2 4.26Å; V122-V124 HydrophobicContact CG1-CG2 4.05Å; V122-V124 PolarHBondContact O-N 3.29Å
123P74.9Confident77.4Confident59 Ų5973.5 Ų73.538%0.38339%0.388SS..  trans-77.97017934.2-35.2000108.6I121 C125 R126 C127I121-P123 VanDerWaalsContact O-CD 3.31Å; I121-P123 WeakPolarHBondContact O-CD 3.48Å; P123-C125 PolarHBondContact O-N 3.39Å; P123-C125 VanDerWaalsContact O-N 3.13Å; P123-R126 HydrophobicContact CB-CB 3.8Å; P123-R126 HydrophobicContact CG-CB 4.13Å; P123-R126 WeakPolarHBondContact O-CA 3.35Å; P123-R126 VanDerWaalsContact O-CB 3.28Å; P123-R126 WeakPolarHBondContact O-CB 3.49Å; P123-R126 PolarHBondContact O-N 2.87Å; P123-C127 PolarHBondContact O-N 3.43Å
124V78Confident77.3Confident62 Ų6271 Ų7138%0.37638%0.375SS..Hα-helixtrans-52-40.1-175.8-178.10000110.9V122 R126 C127 C128 F196V122-V124 HydrophobicContact CB-CG2 4.26Å; V122-V124 HydrophobicContact CG1-CG2 4.05Å; V122-V124 PolarHBondContact O-N 3.29Å; V124-R126 PolarHBondContact O-N 3.45Å; V124-C127 PolarHBondContact O-N 2.88Å; V124-C128 PolarHBondContact O-N 3.47Å; V124-F196 HydrophobicContact CG1-CB 3.97Å; V124-F196 HydrophobicContact CG1-CD1 3.66Å; V124-F196 HydrophobicContact CG1-CG 4.08Å
125C82.2Confident77.5Confident40 Ų4072 Ų7227%0.2737%0.371SS..Hα-helixtrans-57.4-46.4173.3-177.40000112.6P123 C128 V129 F196 C197P123-C125 PolarHBondContact O-N 3.39Å; P123-C125 VanDerWaalsContact O-N 3.13Å; C125-C128 PolarHBondContact O-N 3.31Å; C125-V129 WeakPolarHBondContact O-CB 3.44Å; C125-V129 WeakPolarHBondContact O-CG2 3.34Å; C125-V129 PolarHBondContact O-N 3.3Å; C125-F196 WeakPolarHBondContact CA-O 3.32Å; C125-F196 VanDerWaalsContact CB-O 3.31Å; C125-F196 WeakPolarHBondContact CB-O 3.43Å; C125-F196 PolarHBondContact N-O 2.97Å; C125-C197 WeakPolarHBondContact CA-SG 3.24Å; C125-C197 HydrophobicContact CB-CB 3.89Å; C125-C197 WeakPolarHBondContact CB-SG 3.26Å; C125-C197 WeakPolarHBondContact SG-CB 3.31Å; C125-C197 CovalentContact SG-SG 2.04Å; C125-C197 PolarHBondContact SG-SG 3.09Å
126R82.9Confident77.5Confident168 Ų16871.9 Ų71.963%0.63437%0.371SS*.Hα-helixtrans-63.1-43.7177.9-173.4-175.6-65.8-175.5-1.4111P123 V124 V129 N130P123-R126 HydrophobicContact CB-CB 3.8Å; P123-R126 HydrophobicContact CG-CB 4.13Å; P123-R126 WeakPolarHBondContact O-CA 3.35Å; P123-R126 VanDerWaalsContact O-CB 3.28Å; P123-R126 WeakPolarHBondContact O-CB 3.49Å; P123-R126 PolarHBondContact O-N 2.87Å; V124-R126 PolarHBondContact O-N 3.45Å; R126-V129 PolarHBondContact O-N 3.45Å; R126-N130 WeakPolarHBondContact O-CB 3.24Å; R126-N130 VanDerWaalsContact O-CG 3.26Å; R126-N130 PolarHBondContact O-N 3.15Å
127C80.4Confident77.6Confident59 Ų5975 Ų7540%0.39939%0.392SS..Hα-helixtrans-58.1-53.1175.5-66.80000110.8P123 V124 V129 N130 T131P123-C127 PolarHBondContact O-N 3.43Å; V124-C127 PolarHBondContact O-N 2.88Å; C127-V129 VanDerWaalsContact C-N 3.33Å; C127-V129 PolarHBondContact O-N 2.79Å; C127-N130 PolarHBondContact O-N 2.97Å; C127-T131 WeakPolarHBondContact O-CB 3.24Å; C127-T131 PolarHBondContact O-N 3.49Å; C127-T131 PolarHBondContact O-OG1 2.86Å; C127-T131 VanDerWaalsContact O-OG1 3.06Å
128C83.8Confident77.6Confident30 Ų3071 Ų7120%0.20338%0.378CS..Hα-helixtrans-57.6-45.6178.7179.20000112.3V124 C125 N130 G132 C191 F196V124-C128 PolarHBondContact O-N 3.47Å; C125-C128 PolarHBondContact O-N 3.31Å; C128-N130 PolarHBondContact O-N 3.32Å; C128-G132 PolarHBondContact O-N 2.82Å; C128-C191 HydrophobicContact CB-CB 3.79Å; C128-C191 WeakPolarHBondContact CB-SG 3.38Å; C128-C191 WeakPolarHBondContact SG-CA 3.07Å; C128-C191 WeakPolarHBondContact SG-CB 3.05Å; C128-C191 CovalentContact SG-SG 2.03Å; C128-C191 PolarHBondContact SG-SG 2.87Å; C128-F196 HydrophobicContact CB-CB 4.04Å; C128-F196 HydrophobicContact CB-CD2 3.96Å; C128-F196 HydrophobicContact CB-CG 4.28Å; C128-F196 VanDerWaalsContact SG-CD2 3.56Å
129V86.8Confident78.4Confident21 Ų2163.6 Ų63.613%0.12735%0.352CS..Hα-helixtrans-63.9-43.8-179.4170.60000111.4C125 R126 C127 K133 Y188 C191C125-V129 WeakPolarHBondContact O-CB 3.44Å; C125-V129 WeakPolarHBondContact O-CG2 3.34Å; C125-V129 PolarHBondContact O-N 3.3Å; R126-V129 PolarHBondContact O-N 3.45Å; C127-V129 VanDerWaalsContact C-N 3.33Å; C127-V129 PolarHBondContact O-N 2.79Å; V129-K133 HydrophobicContact CG1-CD 4.05Å; V129-K133 HydrophobicContact CG1-CG 4.45Å; V129-K133 VanDerWaalsContact O-CB 3.29Å; V129-K133 WeakPolarHBondContact O-CB 3.3Å; V129-K133 WeakPolarHBondContact O-CG 3.25Å; V129-K133 PolarHBondContact O-N 2.05Å; V129-Y188 HydrophobicContact CG2-CD2 3.86Å; V129-C191 HydrophobicContact CG2-CB 4.41Å; V129-C191 PolarHBondContact N-SG 2.91Å
130N82.9Confident80Confident89 Ų8961.6 Ų61.648%0.47634%0.336SS..Hα-helixtrans-67.8-48.4-179.5-72.3-3.7000111.3R126 C127 C128 G132 K133 L134R126-N130 WeakPolarHBondContact O-CB 3.24Å; R126-N130 VanDerWaalsContact O-CG 3.26Å; R126-N130 PolarHBondContact O-N 3.15Å; C127-N130 PolarHBondContact O-N 2.97Å; C128-N130 PolarHBondContact O-N 3.32Å; N130-G132 PolarHBondContact O-N 2.96Å; N130-K133 PolarHBondContact O-N 2.88Å; N130-L134 PolarHBondContact O-N 2.79Å
131T80.4Confident81.6Confident59 Ų5961.6 Ų61.636%0.36234%0.337SS..Hα-helixtrans-61.6-45177.7-57.60000111.3C127 K133 L134 I135C127-T131 WeakPolarHBondContact O-CB 3.24Å; C127-T131 PolarHBondContact O-N 3.49Å; C127-T131 PolarHBondContact O-OG1 2.86Å; C127-T131 VanDerWaalsContact O-OG1 3.06Å; T131-K133 VanDerWaalsContact C-N 3.35Å; T131-K133 PolarHBondContact O-N 3.09Å; T131-L134 WeakPolarHBondContact O-CB 3.4Å; T131-L134 PolarHBondContact O-N 2.92Å; T131-I135 HydrophobicContact CG2-CD1 3.99Å; T131-I135 WeakPolarHBondContact O-CG1 3.31Å; T131-I135 PolarHBondContact O-N 2.89Å
132G85.5Confident83.1Confident17 Ų1762.6 Ų62.618%0.17534%0.335CS..Hα-helixtrans-68.8-32.5178.800000113.1C128 N130 I135 K136 V187C128-G132 PolarHBondContact O-N 2.82Å; N130-G132 PolarHBondContact O-N 2.96Å; G132-I135 PolarHBondContact O-N 3.46Å; G132-K136 VanDerWaalsContact O-CB 3.32Å; G132-K136 WeakPolarHBondContact O-CB 3.39Å; G132-K136 PolarHBondContact O-N 3.37Å; G132-V187 VanDerWaalsContact C-CG2 3.46Å; G132-V187 WeakPolarHBondContact O-CG2 3.23Å
133K87.3Confident84.3Confident127 Ų12762.4 Ų62.455%0.55234%0.335SS*.Hα-helixtrans-63.3-43.7172.4-83.1176.4177.5-175.50111.2V129 N130 T131 K136 S137 V187V129-K133 HydrophobicContact CG1-CD 4.05Å; V129-K133 HydrophobicContact CG1-CG 4.45Å; V129-K133 VanDerWaalsContact O-CB 3.29Å; V129-K133 WeakPolarHBondContact O-CB 3.3Å; V129-K133 WeakPolarHBondContact O-CG 3.25Å; V129-K133 PolarHBondContact O-N 2.05Å; N130-K133 PolarHBondContact O-N 2.88Å; T131-K133 VanDerWaalsContact C-N 3.35Å; T131-K133 PolarHBondContact O-N 3.09Å; K133-K136 PolarHBondContact O-N 3.19Å; K133-S137 PolarHBondContact O-N 2.9Å; K133-S137 PolarHBondContact O-OG 3.07Å; K133-V187 HydrophobicContact CG-CG2 4.41Å
134L81.8Confident85Confident24 Ų2461.9 Ų61.913%0.12633%0.327CS..Hα-helixtrans-59.4-53.2175177.874.9000111.3E92 L93 Q96 N130 T131 K136 S137 M138E92-L134 HydrophobicContact CG-CD1 4.04Å; L93-L134 HydrophobicContact CD2-CD2 3.82Å; Q96-L134 HydrophobicContact CG-CD2 4.41Å; N130-L134 PolarHBondContact O-N 2.79Å; T131-L134 WeakPolarHBondContact O-CB 3.4Å; T131-L134 PolarHBondContact O-N 2.92Å; L134-K136 PolarHBondContact O-N 2.91Å; L134-S137 WeakPolarHBondContact CA-OG 3.42Å; L134-S137 PolarHBondContact O-N 3Å; L134-S137 PolarHBondContact O-OG 3.44Å; L134-M138 HydrophobicContact CD1-CE 3.8Å; L134-M138 HydrophobicContact CD2-CE 3.24Å; L134-M138 HydrophobicContact CG-CE 3.35Å; L134-M138 WeakPolarHBondContact O-CG 3.38Å; L134-M138 PolarHBondContact O-N 3.36Å
135I84Confident85.6Confident57 Ų5760.6 Ų60.629%0.29232%0.318SS..Hα-helixtrans-55.8-45.2179.3-68167000109.4T131 G132 S137 M138 L139T131-I135 HydrophobicContact CG2-CD1 3.99Å; T131-I135 WeakPolarHBondContact O-CG1 3.31Å; T131-I135 PolarHBondContact O-N 2.89Å; G132-I135 PolarHBondContact O-N 3.46Å; I135-S137 PolarHBondContact O-N 3.3Å; I135-M138 PolarHBondContact O-N 2.7Å; I135-L139 HydrophobicContact CG2-CD1 3.77Å; I135-L139 HydrophobicContact CG2-CG 4.19Å; I135-L139 VanDerWaalsContact O-CG 3.31Å; I135-L139 WeakPolarHBondContact O-CG 3.35Å; I135-L139 PolarHBondContact O-N 3.41Å
136K86.3Confident86Confident40 Ų4061.5 Ų61.517%0.17433%0.325CS..Hα-helixtrans-57.6-45.8175.4-177.3178.2-176.4174.70112.2G132 K133 L134 M138 L139 L140 F181 K182 F185 V187G132-K136 VanDerWaalsContact O-CB 3.32Å; G132-K136 WeakPolarHBondContact O-CB 3.39Å; G132-K136 PolarHBondContact O-N 3.37Å; K133-K136 PolarHBondContact O-N 3.19Å; L134-K136 PolarHBondContact O-N 2.91Å; K136-M138 VanDerWaalsContact C-N 3.31Å; K136-M138 PolarHBondContact O-N 3.31Å; K136-L139 PolarHBondContact O-N 3.44Å; K136-L140 HydrophobicContact CG-CD1 3.93Å; K136-L140 WeakPolarHBondContact O-CB 3.41Å; K136-L140 WeakPolarHBondContact O-CG 3.39Å; K136-L140 PolarHBondContact O-N 3.42Å; K136-F181 HydrophobicContact CB-CE1 4.38Å; K136-F181 VanDerWaalsContact CE-O 3.26Å; K136-F181 WeakPolarHBondContact CE-O 3.22Å; K136-F181 HydrophobicContact CG-CD1 4.44Å; K136-F181 HydrophobicContact CG-CE1 3.84Å; K136-F181 PolarHBondContact NZ-O 3.24Å; K136-K182 PolarHBondContact NZ-O 3.03Å; K136-F185 HydrophobicContact CD-CD1 4.29Å; K136-F185 PolarHBondContact NZ-O 3.4Å; K136-V187 HydrophobicContact CB-CG2 4.33Å; K136-V187 HydrophobicContact CD-CG2 4.33Å
137S87.9Confident86.3Confident69 Ų6954.8 Ų54.848%0.48330%0.3SS..Hα-helixtrans-65.4-33.617855.30000113K133 L134 I135 L140 S141K133-S137 PolarHBondContact O-N 2.9Å; K133-S137 PolarHBondContact O-OG 3.07Å; L134-S137 WeakPolarHBondContact CA-OG 3.42Å; L134-S137 PolarHBondContact O-N 3Å; L134-S137 PolarHBondContact O-OG 3.44Å; I135-S137 PolarHBondContact O-N 3.3Å; S137-L140 CarbonylContact O-C 3.48Å; S137-S141 PolarHBondContact O-N 3.28Å; S137-S141 VanDerWaalsContact O-N 3.09Å
138M81.6Confident86.8Confident19 Ų1954.7 Ų54.79%0.09430%0.296CS..Hα-helixtrans-71.7-44.1175.9-64.9-158.3-134.600111.9F89 E92 L93 L134 I135 K136 L140 S141 F144F89-M138 HydrophobicContact CB-SD 4.31Å; F89-M138 HydrophobicContact CD2-CB 3.78Å; F89-M138 HydrophobicContact CD2-CE 4.28Å; F89-M138 HydrophobicContact CD2-CG 4.17Å; F89-M138 HydrophobicContact CD2-SD 3.23Å; F89-M138 WeakPolarHBondContact CD2-SD 3.26Å; F89-M138 HydrophobicContact CE2-CB 4.07Å; F89-M138 HydrophobicContact CE2-CE 4.33Å; F89-M138 HydrophobicContact CE2-CG 4.47Å; F89-M138 HydrophobicContact CE2-SD 3.75Å; F89-M138 HydrophobicContact CG-SD 4.05Å; E92-M138 HydrophobicContact CB-CE 3.53Å; E92-M138 HydrophobicContact CB-SD 3.84Å; E92-M138 HydrophobicContact CG-CE 3.22Å; E92-M138 HydrophobicContact CG-SD 3.96Å; L93-M138 HydrophobicContact CD2-CE 3.91Å; L93-M138 HydrophobicContact CG-CE 4.02Å; L134-M138 HydrophobicContact CD1-CE 3.8Å; L134-M138 HydrophobicContact CD2-CE 3.24Å; L134-M138 HydrophobicContact CG-CE 3.35Å; L134-M138 WeakPolarHBondContact O-CG 3.38Å; L134-M138 PolarHBondContact O-N 3.36Å; I135-M138 PolarHBondContact O-N 2.7Å; K136-M138 VanDerWaalsContact C-N 3.31Å; K136-M138 PolarHBondContact O-N 3.31Å; M138-L140 PolarHBondContact O-N 2.81Å; M138-S141 WeakPolarHBondContact O-CB 3.31Å; M138-S141 PolarHBondContact O-N 3.46Å; M138-S141 PolarHBondContact O-OG 2.95Å; M138-F144 WeakPolarHBondContact O-CB 3.44Å
139L86.6Confident87.2Confident49 Ų4956.2 Ų56.226%0.25730%0.298SS..Hα-helixtrans-64.1-29.1176.5-68.4174.7000112.5I135 K136 S141 F144 L145 F181I135-L139 HydrophobicContact CG2-CD1 3.77Å; I135-L139 HydrophobicContact CG2-CG 4.19Å; I135-L139 VanDerWaalsContact O-CG 3.31Å; I135-L139 WeakPolarHBondContact O-CG 3.35Å; I135-L139 PolarHBondContact O-N 3.41Å; K136-L139 PolarHBondContact O-N 3.44Å; L139-S141 VanDerWaalsContact C-N 3.34Å; L139-F144 HydrophobicContact CD2-CD1 4.21Å; L139-F144 HydrophobicContact CD2-CE1 3.54Å; L139-F144 HydrophobicContact CD2-CE2 3.99Å; L139-F144 HydrophobicContact CD2-CZ 3.43Å; L139-F144 VanDerWaalsContact CD2-CZ 3.43Å; L139-F144 VanDerWaalsContact O-CD1 3.25Å; L139-F144 WeakPolarHBondContact O-CD1 3.35Å; L139-L145 WeakPolarHBondContact O-CD2 3.23Å; L139-L145 WeakPolarHBondContact O-CG 3.44Å; L139-F181 HydrophobicContact CB-CE1 3.95Å; L139-F181 HydrophobicContact CB-CZ 4.41Å; L139-F181 HydrophobicContact CD1-CE1 3.98Å; L139-F181 HydrophobicContact CD1-CE2 4.48Å; L139-F181 HydrophobicContact CD1-CZ 3.57Å
140L90.1Very high87.5Confident45 Ų4559.3 Ų59.324%0.23631%0.313CS..THydrogen-bonded Turntrans-92.98.3173.9-66.8175.8000113.2K136 S137 M138 L145 T178 F181 K182K136-L140 HydrophobicContact CG-CD1 3.93Å; K136-L140 WeakPolarHBondContact O-CB 3.41Å; K136-L140 WeakPolarHBondContact O-CG 3.39Å; K136-L140 PolarHBondContact O-N 3.42Å; S137-L140 CarbonylContact O-C 3.48Å; M138-L140 PolarHBondContact O-N 2.81Å; L140-L145 HydrophobicContact CD2-CD1 4.46Å; L140-T178 HydrophobicContact CD2-CG2 4.12Å; L140-F181 HydrophobicContact CD1-CD1 4.14Å; L140-F181 HydrophobicContact CD2-CD1 3.83Å; L140-F181 HydrophobicContact CG-CD1 3.86Å; L140-F181 HydrophobicContact CG-CE1 4.26Å; L140-K182 HydrophobicContact CD1-CB 4.21Å; L140-K182 HydrophobicContact CD1-CG 4.43Å
141S89.9Confident87.7Confident37 Ų3756.5 Ų56.526%0.25930%0.298SS..SBendtrans-71.1142.7176.274.90000110S137 M138 L139 P143 F144 L145S137-S141 PolarHBondContact O-N 3.28Å; S137-S141 VanDerWaalsContact O-N 3.09Å; M138-S141 WeakPolarHBondContact O-CB 3.31Å; M138-S141 PolarHBondContact O-N 3.46Å; M138-S141 PolarHBondContact O-OG 2.95Å; L139-S141 VanDerWaalsContact C-N 3.34Å; S141-P143 VanDerWaalsContact C-CD 3.49Å; S141-F144 PolarHBondContact O-N 3.19Å; S141-F144 VanDerWaalsContact OG-CB 3.31Å; S141-F144 WeakPolarHBondContact OG-CB 3.38Å; S141-F144 PolarHBondContact OG-N 3.43Å; S141-L145 WeakPolarHBondContact O-CG 3.09Å; S141-L145 PolarHBondContact O-N 2.77Å
142K90Very high88.2Confident185 Ų18555.3 Ų55.380%0.80429%0.291SS*.Hα-helixtrans-50.3-48.1177.2-69.2-175178.1-177.50113.9L145 S146K142-L145 PolarHBondContact O-N 3.36Å; K142-S146 VanDerWaalsContact O-CB 3.31Å; K142-S146 WeakPolarHBondContact O-CB 3.32Å; K142-S146 PolarHBondContact O-N 2.91Å
143P87.3Confident88.4Confident55 Ų5556.1 Ų56.136%0.35729%0.291SS..Hα-helixtrans-65.6-42-178.924.5-34.2000112.3S85 M88 S141 S146 E147S85-P143 PolarHBondContact OG-O 3.35Å; M88-P143 HydrophobicContact CE-CB 3.33Å; M88-P143 HydrophobicContact CE-CG 3.44Å; M88-P143 VanDerWaalsContact CE-CG 3.44Å; M88-P143 HydrophobicContact SD-CB 4.24Å; M88-P143 HydrophobicContact SD-CG 3.87Å; S141-P143 VanDerWaalsContact C-CD 3.49Å; P143-S146 PolarHBondContact O-N 2.98Å; P143-E147 WeakPolarHBondContact O-CB 3.16Å; P143-E147 PolarHBondContact O-N 3.43Å
144F88.5Confident88.6Confident47 Ų4753.2 Ų53.221%0.20628%0.284CS..Hα-helixtrans-60.5-49.6177.1-173.4-86.7000111.7S85 M138 L139 S141 S146 E147 L148S85-F144 VanDerWaalsContact OG-CA 3.24Å; S85-F144 WeakPolarHBondContact OG-CA 3.32Å; S85-F144 PolarHBondContact OG-N 3.16Å; M138-F144 WeakPolarHBondContact O-CB 3.44Å; L139-F144 HydrophobicContact CD2-CD1 4.21Å; L139-F144 HydrophobicContact CD2-CE1 3.54Å; L139-F144 HydrophobicContact CD2-CE2 3.99Å; L139-F144 HydrophobicContact CD2-CZ 3.43Å; L139-F144 VanDerWaalsContact CD2-CZ 3.43Å; L139-F144 VanDerWaalsContact O-CD1 3.25Å; L139-F144 WeakPolarHBondContact O-CD1 3.35Å; S141-F144 PolarHBondContact O-N 3.19Å; S141-F144 VanDerWaalsContact OG-CB 3.31Å; S141-F144 WeakPolarHBondContact OG-CB 3.38Å; S141-F144 PolarHBondContact OG-N 3.43Å; F144-S146 VanDerWaalsContact C-N 3.34Å; F144-S146 PolarHBondContact O-N 3.37Å; F144-E147 PolarHBondContact O-N 3.48Å; F144-L148 HydrophobicContact CE1-CD2 3.96Å; F144-L148 WeakPolarHBondContact O-CB 3.22Å; F144-L148 PolarHBondContact O-N 2.77Å
145L91.6Very high88.9Confident35 Ų3556.4 Ų56.418%0.18330%0.3CS..Hα-helixtrans-64.1-38.8178.8-69.7176.1000112L139 L140 S141 K142 Y149 F174 T178L139-L145 WeakPolarHBondContact O-CD2 3.23Å; L139-L145 WeakPolarHBondContact O-CG 3.44Å; L140-L145 HydrophobicContact CD2-CD1 4.46Å; S141-L145 WeakPolarHBondContact O-CG 3.09Å; S141-L145 PolarHBondContact O-N 2.77Å; K142-L145 PolarHBondContact O-N 3.36Å; L145-Y149 WeakPolarHBondContact O-CB 3.17Å; L145-Y149 PolarHBondContact O-N 3.24Å; L145-F174 HydrophobicContact CB-CZ 4.26Å; L145-F174 HydrophobicContact CD2-CE1 4.49Å; L145-F174 HydrophobicContact CD2-CZ 3.98Å; L145-F174 VanDerWaalsContact O-CZ 3.31Å; L145-F174 WeakPolarHBondContact O-CZ 3.28Å; L145-T178 HydrophobicContact CD1-CG2 3.88Å; L145-T178 HydrophobicContact CD2-CG2 4.13Å
146S91Very high89.4Confident60 Ų6053.7 Ų53.742%0.4229%0.286SS..Hα-helixtrans-67.6-43.8178.8-173.80000112.3K142 P143 F144 Y149 N150K142-S146 VanDerWaalsContact O-CB 3.31Å; K142-S146 WeakPolarHBondContact O-CB 3.32Å; K142-S146 PolarHBondContact O-N 2.91Å; P143-S146 PolarHBondContact O-N 2.98Å; F144-S146 VanDerWaalsContact C-N 3.34Å; F144-S146 PolarHBondContact O-N 3.37Å; S146-Y149 PolarHBondContact O-N 3.17Å; S146-N150 WeakPolarHBondContact O-CB 3.23Å; S146-N150 PolarHBondContact O-N 3.47Å; S146-N150 PolarHBondContact O-ND2 3.29Å
147E89Confident89.6Confident27 Ų2757.3 Ų57.313%0.12631%0.308CS..Hα-helixtrans-65.9-44.2178.5-167.4163-175.800110P81 F82 S83 T84 S85 P143 F144 N151P81-E147 VanDerWaalsContact O-CD 3.24Å; P81-E147 WeakPolarHBondContact O-CG 3.19Å; F82-E147 WeakPolarHBondContact CA-OE1 2.97Å; F82-E147 HydrophobicContact CD1-CG 4.13Å; F82-E147 PolarHBondContact N-OE1 3.42Å; S83-E147 PolarHBondContact N-OE1 3.35Å; T84-E147 PolarHBondContact N-OE1 3.39Å; S85-E147 WeakPolarHBondContact CA-OE2 3.05Å; S85-E147 WeakPolarHBondContact CB-OE2 3.47Å; S85-E147 PolarHBondContact N-OE2 3.22Å; S85-E147 PolarHBondContact OG-OE2 3.13Å; P143-E147 WeakPolarHBondContact O-CB 3.16Å; P143-E147 PolarHBondContact O-N 3.43Å; F144-E147 PolarHBondContact O-N 3.48Å; E147-N151 VanDerWaalsContact O-CB 3.24Å; E147-N151 WeakPolarHBondContact O-CB 3.43Å; E147-N151 PolarHBondContact O-N 3.18Å; E147-N151 PolarHBondContact O-ND2 3.21Å; E147-N151 VanDerWaalsContact O-ND2 3.13Å
148L90.8Very high89.8Confident57 Ų5762.1 Ų62.130%0.29832%0.32SS..Hα-helixtrans-61.4-45.1174-173.366000112.6F82 F144 T152 F174F82-L148 HydrophobicContact CE1-CB 4.49Å; F82-L148 HydrophobicContact CE1-CD1 3.91Å; F82-L148 HydrophobicContact CZ-CD1 4.22Å; F144-L148 HydrophobicContact CE1-CD2 3.96Å; F144-L148 WeakPolarHBondContact O-CB 3.22Å; F144-L148 PolarHBondContact O-N 2.77Å; L148-T152 VanDerWaalsContact O-CB 3.29Å; L148-T152 WeakPolarHBondContact O-CB 2.92Å; L148-T152 PolarHBondContact O-N 3.23Å; L148-T152 PolarHBondContact O-OG1 3.07Å; L148-F174 HydrophobicContact CB-CE2 4.2Å; L148-F174 HydrophobicContact CD2-CE2 3.91Å; L148-F174 HydrophobicContact CG-CE2 3.88Å
149Y92.9Very high90.3Very high62 Ų6265.3 Ų65.324%0.24334%0.337CS..Hα-helixtrans-61.2-52.7178.5176.4-102.6000111.5L145 S146 N151 T152 L153 H171 F174L145-Y149 WeakPolarHBondContact O-CB 3.17Å; L145-Y149 PolarHBondContact O-N 3.24Å; S146-Y149 PolarHBondContact O-N 3.17Å; Y149-N151 VanDerWaalsContact C-N 3.34Å; Y149-N151 PolarHBondContact O-N 2.66Å; Y149-T152 WeakPolarHBondContact O-CB 3Å; Y149-T152 PolarHBondContact O-N 3.15Å; Y149-T152 VanDerWaalsContact O-N 3.1Å; Y149-L153 HydrophobicContact CD1-CD1 4.21Å; Y149-L153 HydrophobicContact CE1-CD1 3.48Å; Y149-L153 VanDerWaalsContact CE1-CD1 3.48Å; Y149-L153 HydrophobicContact CE1-CG 4.23Å; Y149-L153 HydrophobicContact CE2-CD1 4.28Å; Y149-L153 HydrophobicContact CE2-CD2 4.48Å; Y149-L153 HydrophobicContact CE2-CG 4.37Å; Y149-L153 PolarHBondContact O-N 3.41Å; Y149-H171 HydrophobicContact CE2-CB 4.38Å; Y149-H171 AromaticContact CE2-CD2 3.92Å; Y149-H171 AromaticContact CZ-CD2 3.99Å; Y149-H171 PolarHBondContact OH-CD2 2.93Å; Y149-H171 VanDerWaalsContact OH-CD2 3.31Å; Y149-F174 HydrophobicContact CD2-CB 4.18Å; Y149-F174 AromaticContact CD2-CD1 3.58Å; Y149-F174 HydrophobicContact CD2-CD1 3.58Å; Y149-F174 HydrophobicContact CD2-CD2 4.15Å; Y149-F174 AromaticContact CD2-CE1 3.97Å; Y149-F174 HydrophobicContact CD2-CE1 3.97Å; Y149-F174 HydrophobicContact CD2-CE2 4.48Å; Y149-F174 AromaticContact CD2-CG 3.69Å; Y149-F174 HydrophobicContact CD2-CG 3.69Å; Y149-F174 HydrophobicContact CD2-CZ 4.41Å; Y149-F174 HydrophobicContact CE2-CD1 4.38Å; Y149-F174 HydrophobicContact CE2-CG 4.48Å; Y149-F174 HydrophobicContact CG-CD1 4.39Å; Y149-F174 HydrophobicContact CG-CE1 4.35Å
150N91.6Very high90.3Very high86 Ų8667.7 Ų67.746%0.4636%0.355SS..Hα-helixtrans-60.9-45.5-179.2-70.5-22.3000111S146 T152 L153 T154S146-N150 WeakPolarHBondContact O-CB 3.23Å; S146-N150 PolarHBondContact O-N 3.47Å; S146-N150 PolarHBondContact O-ND2 3.29Å; N150-T152 VanDerWaalsContact C-N 3.29Å; N150-T152 PolarHBondContact O-N 3.25Å; N150-L153 PolarHBondContact O-N 3.39Å; N150-L153 VanDerWaalsContact O-N 3.17Å; N150-T154 WeakPolarHBondContact O-CG2 3.25Å; N150-T154 PolarHBondContact O-N 3.21Å
151N88.3Confident90.4Very high29 Ų2975.5 Ų75.516%0.15539%0.387CS..Hα-helixtrans-63.4-35.8176.5-68.9-21.7000112P81 F82 E147 Y149 T154P81-N151 WeakPolarHBondContact CB-ND2 3.32Å; P81-N151 WeakPolarHBondContact CB-OD1 3.34Å; P81-N151 PolarHBondContact O-ND2 3.23Å; F82-N151 WeakPolarHBondContact CD1-ND2 3.42Å; F82-N151 HydrophobicContact CE1-CB 4.09Å; F82-N151 WeakPolarHBondContact CE1-ND2 3.04Å; F82-N151 HydrophobicContact CE2-CB 4.26Å; F82-N151 HydrophobicContact CZ-CB 3.63Å; F82-N151 WeakPolarHBondContact CZ-ND2 3.28Å; E147-N151 VanDerWaalsContact O-CB 3.24Å; E147-N151 WeakPolarHBondContact O-CB 3.43Å; E147-N151 PolarHBondContact O-N 3.18Å; E147-N151 PolarHBondContact O-ND2 3.21Å; E147-N151 VanDerWaalsContact O-ND2 3.13Å; Y149-N151 VanDerWaalsContact C-N 3.34Å; Y149-N151 PolarHBondContact O-N 2.66Å; N151-T154 PolarHBondContact O-N 2.86Å; N151-T154 PolarHBondContact O-OG1 2.91Å
152T89.7Confident90.5Very high35 Ų3578.8 Ų78.822%0.21540%0.401CS..Hα-helixtrans-63.1-42.2174.4-60.20000111.2L148 Y149 N150 T154 I155 L170L148-T152 VanDerWaalsContact O-CB 3.29Å; L148-T152 WeakPolarHBondContact O-CB 2.92Å; L148-T152 PolarHBondContact O-N 3.23Å; L148-T152 PolarHBondContact O-OG1 3.07Å; Y149-T152 WeakPolarHBondContact O-CB 3Å; Y149-T152 PolarHBondContact O-N 3.15Å; Y149-T152 VanDerWaalsContact O-N 3.1Å; N150-T152 VanDerWaalsContact C-N 3.29Å; N150-T152 PolarHBondContact O-N 3.25Å; T152-T154 VanDerWaalsContact C-N 3.3Å; T152-T154 PolarHBondContact O-N 3.41Å; T152-I155 VanDerWaalsContact O-CB 3.28Å; T152-I155 WeakPolarHBondContact O-CB 3.31Å; T152-I155 WeakPolarHBondContact O-CD1 3.14Å; T152-I155 VanDerWaalsContact O-CG1 3.28Å; T152-I155 WeakPolarHBondContact O-CG1 3.43Å; T152-I155 PolarHBondContact O-N 3.42Å; T152-L170 HydrophobicContact CG2-CB 4.41Å; T152-L170 HydrophobicContact CG2-CD1 4.03Å; T152-L170 HydrophobicContact CG2-CD2 4.35Å; T152-L170 WeakPolarHBondContact O-CD1 3.44Å
153L90.6Very high90.4Very high33 Ų3371.8 Ų71.817%0.17338%0.376CS..Hα-helixtrans-67-27.7178.2-67.1-173.3000113.7Y149 N150 I155 C156 L170Y149-L153 HydrophobicContact CD1-CD1 4.21Å; Y149-L153 HydrophobicContact CE1-CD1 3.48Å; Y149-L153 VanDerWaalsContact CE1-CD1 3.48Å; Y149-L153 HydrophobicContact CE1-CG 4.23Å; Y149-L153 HydrophobicContact CE2-CD1 4.28Å; Y149-L153 HydrophobicContact CE2-CD2 4.48Å; Y149-L153 HydrophobicContact CE2-CG 4.37Å; Y149-L153 PolarHBondContact O-N 3.41Å; N150-L153 PolarHBondContact O-N 3.39Å; N150-L153 VanDerWaalsContact O-N 3.17Å; L153-I155 PolarHBondContact O-N 3.44Å; L153-C156 WeakPolarHBondContact O-CB 3.49Å; L153-C156 PolarHBondContact O-N 2.66Å; L153-L170 HydrophobicContact CD2-CB 4.01Å
154T90.1Very high90.5Very high66 Ų6676 Ų7641%0.40539%0.394SS..Hα-helixtrans-59.5-18.3175.269.80000113.6N150 N151 T152 C156 D157N150-T154 WeakPolarHBondContact O-CG2 3.25Å; N150-T154 PolarHBondContact O-N 3.21Å; N151-T154 PolarHBondContact O-N 2.86Å; N151-T154 PolarHBondContact O-OG1 2.91Å; T152-T154 VanDerWaalsContact C-N 3.3Å; T152-T154 PolarHBondContact O-N 3.41Å; T154-C156 PolarHBondContact O-N 3.44Å; T154-D157 WeakPolarHBondContact CA-OD2 3.49Å; T154-D157 WeakPolarHBondContact O-CB 3.21Å; T154-D157 PolarHBondContact O-N 3.23Å
155I89.9Confident90.8Very high91 Ų9178.5 Ų78.547%0.46741%0.413SS..Hα-helixtrans-61.3-35.5172.5-61.6172.5000110.3T152 L153 D157 K158 L170T152-I155 VanDerWaalsContact O-CB 3.28Å; T152-I155 WeakPolarHBondContact O-CB 3.31Å; T152-I155 WeakPolarHBondContact O-CD1 3.14Å; T152-I155 VanDerWaalsContact O-CG1 3.28Å; T152-I155 WeakPolarHBondContact O-CG1 3.43Å; T152-I155 PolarHBondContact O-N 3.42Å; L153-I155 PolarHBondContact O-N 3.44Å; I155-D157 VanDerWaalsContact C-N 3.31Å; I155-D157 PolarHBondContact O-N 3.14Å; I155-K158 WeakPolarHBondContact O-CB 3.38Å; I155-K158 PolarHBondContact O-N 2.68Å; I155-L170 HydrophobicContact CB-CD1 4.27Å
156C92.8Very high91Very high0 Ų077.7 Ų77.70%041%0.41CS..Hα-helixtrans-72.1-22.9179.5-61.50000113.3L153 T154 K158 L159 C166 N167 L170L153-C156 WeakPolarHBondContact O-CB 3.49Å; L153-C156 PolarHBondContact O-N 2.66Å; T154-C156 PolarHBondContact O-N 3.44Å; C156-K158 PolarHBondContact O-N 3.49Å; C156-L159 CarbonylContact O-C 3.36Å; C156-L159 WeakPolarHBondContact O-CA 3.28Å; C156-L159 PolarHBondContact O-N 2.99Å; C156-C166 WeakPolarHBondContact CA-SG 3.34Å; C156-C166 HydrophobicContact CB-CB 3.74Å; C156-C166 WeakPolarHBondContact CB-SG 3.48Å; C156-C166 WeakPolarHBondContact SG-CB 3.38Å; C156-C166 CovalentContact SG-SG 2.04Å; C156-C166 PolarHBondContact SG-SG 3.09Å; C156-N167 VanDerWaalsContact CB-OD1 3.27Å; C156-N167 WeakPolarHBondContact CB-OD1 3.26Å; C156-N167 PolarHBondContact SG-N 3.45Å; C156-N167 VanDerWaalsContact SG-N 3.4Å; C156-N167 PolarHBondContact SG-OD1 2.92Å; C156-N167 VanDerWaalsContact SG-OD1 3.4Å; C156-L170 WeakPolarHBondContact SG-CD1 3.49Å
157D90.8Very high91.1Very high116 Ų11677.5 Ų77.562%0.6240%0.404SS*.Hα-helixtrans-65-25.7174.8-60.7-27.1000111.7T154 I155 L159T154-D157 WeakPolarHBondContact CA-OD2 3.49Å; T154-D157 WeakPolarHBondContact O-CB 3.21Å; T154-D157 PolarHBondContact O-N 3.23Å; I155-D157 VanDerWaalsContact C-N 3.31Å; I155-D157 PolarHBondContact O-N 3.14Å; D157-L159 PolarHBondContact O-N 3.46Å
158K91.8Very high91.3Very high171 Ų17179.5 Ų79.574%0.74342%0.421SS*.THydrogen-bonded Turntrans-75.6-10.7173.7-58-177.9-178.3178.30112.8I155 C156 P160I155-K158 WeakPolarHBondContact O-CB 3.38Å; I155-K158 PolarHBondContact O-N 2.68Å; C156-K158 PolarHBondContact O-N 3.49Å; K158-P160 VanDerWaalsContact C-CD 3.43Å; K158-P160 WeakPolarHBondContact O-CD 3.36Å
159L92Very high91.5Very high86 Ų8681.6 Ų81.645%0.4543%0.432SS..  trans-124.362.8-177.4-62.9175.1000110.8C156 D157 K161 L162 S163C156-L159 CarbonylContact O-C 3.36Å; C156-L159 WeakPolarHBondContact O-CA 3.28Å; C156-L159 PolarHBondContact O-N 2.99Å; D157-L159 PolarHBondContact O-N 3.46Å; L159-K161 PolarHBondContact O-N 3.48Å; L159-K161 VanDerWaalsContact O-N 3.11Å; L159-L162 CarbonylContact O-C 3.6Å; L159-L162 PolarHBondContact O-N 3.33Å; L159-S163 PolarHBondContact O-N 3.09Å
160P87.9Confident91.6Very high98 Ų9880.1 Ų80.164%0.63643%0.428SS*.G310 helixtrans-59.5-32.9-17022.7-34.5000113.6K158 L162 S163K158-P160 VanDerWaalsContact C-CD 3.43Å; K158-P160 WeakPolarHBondContact O-CD 3.36Å; P160-L162 PolarHBondContact O-N 3.48Å; P160-S163 PolarHBondContact O-OG 2.92Å
161K91.8Very high91.7Very high209 Ų20979.5 Ų79.591%0.90942%0.423SS*.G310 helixtrans-66.8-21.4177.8-66-173.7179.7-178.30113.8L159L159-K161 PolarHBondContact O-N 3.48Å; L159-K161 VanDerWaalsContact O-N 3.11Å
162L91.5Very high92Very high106 Ų10682.5 Ų82.556%0.55544%0.439SS*.G310 helixtrans-122.911-174.7-65.1172.6000111.8L159 P160 I164 V165 C166L159-L162 CarbonylContact O-C 3.6Å; L159-L162 PolarHBondContact O-N 3.33Å; P160-L162 PolarHBondContact O-N 3.48Å; L162-I164 VanDerWaalsContact C-N 3.3Å; L162-I164 PolarHBondContact O-N 2.85Å; L162-V165 PolarHBondContact O-N 2.95Å; L162-V165 VanDerWaalsContact O-N 3.15Å; L162-C166 WeakPolarHBondContact O-CB 3.21Å; L162-C166 PolarHBondContact O-N 3.2Å
163S87.8Confident92.3Very high39 Ų3984.5 Ų84.527%0.27345%0.447SS..Hα-helixtrans-54.5-43.6-169.459.40000112.8L159 P160 C166 N167L159-S163 PolarHBondContact O-N 3.09Å; P160-S163 PolarHBondContact O-OG 2.92Å; S163-C166 PolarHBondContact O-N 3.49Å; S163-N167 VanDerWaalsContact O-CB 3.24Å; S163-N167 WeakPolarHBondContact O-CB 3.44Å; S163-N167 PolarHBondContact O-N 3.22Å; S163-N167 PolarHBondContact O-ND2 3.42Å; S163-N167 VanDerWaalsContact O-ND2 3.09Å
164I90Very high92.4Very high142 Ų14284 Ų8473%0.72844%0.443SS*.Hα-helixtrans-61.4-51.9179.2-59.8173.9000111.1L162 N167 S168L162-I164 VanDerWaalsContact C-N 3.3Å; L162-I164 PolarHBondContact O-N 2.85Å; I164-N167 PolarHBondContact O-N 3.21Å; I164-S168 PolarHBondContact O-N 3.29Å; I164-S168 VanDerWaalsContact O-N 3.12Å
165V94.1Very high92.6Very high100 Ų10085.1 Ų85.161%0.60645%0.445SS*.Hα-helixtrans-66.7-42.1-178.91800000110.6L162 S168 L169L162-V165 PolarHBondContact O-N 2.95Å; L162-V165 VanDerWaalsContact O-N 3.15Å; V165-S168 PolarHBondContact O-N 3.34Å; V165-L169 WeakPolarHBondContact O-CB 3.44Å; V165-L169 PolarHBondContact O-N 3.24Å
166C95.7Very high92.8Very high19 Ų1983.6 Ų83.613%0.12845%0.446CS..Hα-helixtrans-59.8-48.3176.81790000111.5C156 L162 S163 S168 L169 L170C156-C166 WeakPolarHBondContact CA-SG 3.34Å; C156-C166 HydrophobicContact CB-CB 3.74Å; C156-C166 WeakPolarHBondContact CB-SG 3.48Å; C156-C166 WeakPolarHBondContact SG-CB 3.38Å; C156-C166 CovalentContact SG-SG 2.04Å; C156-C166 PolarHBondContact SG-SG 3.09Å; L162-C166 WeakPolarHBondContact O-CB 3.21Å; L162-C166 PolarHBondContact O-N 3.2Å; S163-C166 PolarHBondContact O-N 3.49Å; C166-S168 PolarHBondContact O-N 2.96Å; C166-L169 PolarHBondContact O-N 2.99Å; C166-L170 WeakPolarHBondContact O-CB 3.3Å; C166-L170 WeakPolarHBondContact O-CG 3.42Å; C166-L170 PolarHBondContact O-N 3.44Å
167N93.6Very high92.7Very high56 Ų5688.6 Ų88.630%0.29947%0.472SS..Hα-helixtrans-61.5-45.1180-78.9-32.1000111.5C156 S163 I164 H171C156-N167 VanDerWaalsContact CB-OD1 3.27Å; C156-N167 WeakPolarHBondContact CB-OD1 3.26Å; C156-N167 PolarHBondContact SG-N 3.45Å; C156-N167 VanDerWaalsContact SG-N 3.4Å; C156-N167 PolarHBondContact SG-OD1 2.92Å; C156-N167 VanDerWaalsContact SG-OD1 3.4Å; S163-N167 VanDerWaalsContact O-CB 3.24Å; S163-N167 WeakPolarHBondContact O-CB 3.44Å; S163-N167 PolarHBondContact O-N 3.22Å; S163-N167 PolarHBondContact O-ND2 3.42Å; S163-N167 VanDerWaalsContact O-ND2 3.09Å; I164-N167 PolarHBondContact O-N 3.21Å; N167-H171 VanDerWaalsContact O-CB 3.26Å; N167-H171 WeakPolarHBondContact O-CB 3.46Å; N167-H171 PolarHBondContact O-N 2.65Å
168S94.1Very high92.7Very high68 Ų6884.4 Ų84.448%0.47645%0.451SS..Hα-helixtrans-60.4-46.9176-167.10000111.5I164 V165 C166 H171 D172I164-S168 PolarHBondContact O-N 3.29Å; I164-S168 VanDerWaalsContact O-N 3.12Å; V165-S168 PolarHBondContact O-N 3.34Å; C166-S168 PolarHBondContact O-N 2.96Å; S168-H171 PolarHBondContact O-N 2.95Å; S168-D172 VanDerWaalsContact O-CG 3.32Å; S168-D172 PolarHBondContact O-N 2.49Å; S168-D172 VanDerWaalsContact O-N 3.07Å
169L94.6Very high92.6Very high101 Ų10180.5 Ų80.553%0.52944%0.437SS..Hα-helixtrans-63.1-47.6-179.9178.563.1000112V165 C166 H171 D172 I173V165-L169 WeakPolarHBondContact O-CB 3.44Å; V165-L169 PolarHBondContact O-N 3.24Å; C166-L169 PolarHBondContact O-N 2.99Å; L169-H171 VanDerWaalsContact C-N 3.32Å; L169-H171 PolarHBondContact O-N 3.13Å; L169-D172 PolarHBondContact O-N 2.79Å; L169-I173 HydrophobicContact CD1-CD1 3.9Å; L169-I173 HydrophobicContact CD1-CG1 4.3Å; L169-I173 HydrophobicContact CG-CD1 3.82Å; L169-I173 WeakPolarHBondContact O-CB 3.01Å; L169-I173 VanDerWaalsContact O-CG1 3.26Å; L169-I173 WeakPolarHBondContact O-CG1 3.37Å; L169-I173 PolarHBondContact O-N 3.45Å
170L94.5Very high92.4Very high32 Ų3278.7 Ų78.717%0.16843%0.432CS..Hα-helixtrans-65.6-36.9179.3-73.7-171.8000111.9T152 L153 I155 C156 C166 F174T152-L170 HydrophobicContact CG2-CB 4.41Å; T152-L170 HydrophobicContact CG2-CD1 4.03Å; T152-L170 HydrophobicContact CG2-CD2 4.35Å; T152-L170 WeakPolarHBondContact O-CD1 3.44Å; L153-L170 HydrophobicContact CD2-CB 4.01Å; I155-L170 HydrophobicContact CB-CD1 4.27Å; C156-L170 WeakPolarHBondContact SG-CD1 3.49Å; C166-L170 WeakPolarHBondContact O-CB 3.3Å; C166-L170 WeakPolarHBondContact O-CG 3.42Å; C166-L170 PolarHBondContact O-N 3.44Å; L170-F174 WeakPolarHBondContact O-CB 3.48Å; L170-F174 PolarHBondContact O-N 3.38Å
171H94.4Very high92.3Very high73 Ų7376.3 Ų76.334%0.33841%0.411SS..Hα-helixtrans-58.1-51.6172.7169.5-88.1000111.3Y149 N167 S168 L169 I173 F174 M175Y149-H171 HydrophobicContact CE2-CB 4.38Å; Y149-H171 AromaticContact CE2-CD2 3.92Å; Y149-H171 AromaticContact CZ-CD2 3.99Å; Y149-H171 PolarHBondContact OH-CD2 2.93Å; Y149-H171 VanDerWaalsContact OH-CD2 3.31Å; N167-H171 VanDerWaalsContact O-CB 3.26Å; N167-H171 WeakPolarHBondContact O-CB 3.46Å; N167-H171 PolarHBondContact O-N 2.65Å; S168-H171 PolarHBondContact O-N 2.95Å; L169-H171 VanDerWaalsContact C-N 3.32Å; L169-H171 PolarHBondContact O-N 3.13Å; H171-I173 VanDerWaalsContact C-N 3.35Å; H171-I173 PolarHBondContact O-N 2.86Å; H171-F174 PolarHBondContact O-N 3Å; H171-M175 WeakPolarHBondContact O-CG 3.28Å; H171-M175 PolarHBondContact O-N 3.18Å
172D95.2Very high92.1Very high92 Ų9272.7 Ų72.749%0.49240%0.396SS..Hα-helixtrans-64.4-40.7-177.4-65.8-16.1000111.7S168 L169 M175 A176S168-D172 VanDerWaalsContact O-CG 3.32Å; S168-D172 PolarHBondContact O-N 2.49Å; S168-D172 VanDerWaalsContact O-N 3.07Å; L169-D172 PolarHBondContact O-N 2.79Å; D172-M175 PolarHBondContact O-N 3.17Å; D172-A176 WeakPolarHBondContact O-CB 3.24Å; D172-A176 PolarHBondContact O-N 3.47Å
173I94.4Very high91.8Very high76 Ų7674.2 Ų74.239%0.3940%0.4SS..Hα-helixtrans-61.4-47.6173.9-69.8170000110.7L169 H171 M175 A176 I177L169-I173 HydrophobicContact CD1-CD1 3.9Å; L169-I173 HydrophobicContact CD1-CG1 4.3Å; L169-I173 HydrophobicContact CG-CD1 3.82Å; L169-I173 WeakPolarHBondContact O-CB 3.01Å; L169-I173 VanDerWaalsContact O-CG1 3.26Å; L169-I173 WeakPolarHBondContact O-CG1 3.37Å; L169-I173 PolarHBondContact O-N 3.45Å; H171-I173 VanDerWaalsContact C-N 3.35Å; H171-I173 PolarHBondContact O-N 2.86Å; I173-M175 VanDerWaalsContact C-N 3.32Å; I173-M175 PolarHBondContact O-N 3.46Å; I173-A176 PolarHBondContact O-N 3.23Å; I173-I177 HydrophobicContact CG2-CD1 3.62Å; I173-I177 HydrophobicContact CG2-CG1 4.33Å; I173-I177 VanDerWaalsContact O-CG1 3.31Å; I173-I177 WeakPolarHBondContact O-CG1 3.34Å; I173-I177 PolarHBondContact O-N 3.39Å
174F94.1Very high91Very high23 Ų2378.8 Ų78.810%0.10142%0.417CS..Hα-helixtrans-60.6-43.8-178.9-175.8-86.7000111.5L145 L148 Y149 L170 H171 I177 T178L145-F174 HydrophobicContact CB-CZ 4.26Å; L145-F174 HydrophobicContact CD2-CE1 4.49Å; L145-F174 HydrophobicContact CD2-CZ 3.98Å; L145-F174 VanDerWaalsContact O-CZ 3.31Å; L145-F174 WeakPolarHBondContact O-CZ 3.28Å; L148-F174 HydrophobicContact CB-CE2 4.2Å; L148-F174 HydrophobicContact CD2-CE2 3.91Å; L148-F174 HydrophobicContact CG-CE2 3.88Å; Y149-F174 HydrophobicContact CD2-CB 4.18Å; Y149-F174 AromaticContact CD2-CD1 3.58Å; Y149-F174 HydrophobicContact CD2-CD1 3.58Å; Y149-F174 HydrophobicContact CD2-CD2 4.15Å; Y149-F174 AromaticContact CD2-CE1 3.97Å; Y149-F174 HydrophobicContact CD2-CE1 3.97Å; Y149-F174 HydrophobicContact CD2-CE2 4.48Å; Y149-F174 AromaticContact CD2-CG 3.69Å; Y149-F174 HydrophobicContact CD2-CG 3.69Å; Y149-F174 HydrophobicContact CD2-CZ 4.41Å; Y149-F174 HydrophobicContact CE2-CD1 4.38Å; Y149-F174 HydrophobicContact CE2-CG 4.48Å; Y149-F174 HydrophobicContact CG-CD1 4.39Å; Y149-F174 HydrophobicContact CG-CE1 4.35Å; L170-F174 WeakPolarHBondContact O-CB 3.48Å; L170-F174 PolarHBondContact O-N 3.38Å; H171-F174 PolarHBondContact O-N 3Å; F174-I177 PolarHBondContact O-N 3.1Å; F174-T178 WeakPolarHBondContact O-CB 3.24Å; F174-T178 PolarHBondContact O-N 3.38Å; F174-T178 PolarHBondContact O-OG1 3.34Å
175M93.6Very high90.2Very high89 Ų8975.3 Ų75.344%0.43840%0.397SS..Hα-helixtrans-65-44.4177.3-68.1-57.9-73.900111.5H171 D172 I173 I177 T178 L179H171-M175 WeakPolarHBondContact O-CG 3.28Å; H171-M175 PolarHBondContact O-N 3.18Å; D172-M175 PolarHBondContact O-N 3.17Å; I173-M175 VanDerWaalsContact C-N 3.32Å; I173-M175 PolarHBondContact O-N 3.46Å; M175-I177 PolarHBondContact O-N 2.87Å; M175-T178 PolarHBondContact O-N 2.94Å; M175-L179 WeakPolarHBondContact O-CB 3.29Å; M175-L179 VanDerWaalsContact O-CG 3.28Å; M175-L179 WeakPolarHBondContact O-CG 3.47Å; M175-L179 PolarHBondContact O-N 3.44Å
176A93.2Very high89.5Confident59 Ų5973.7 Ų73.749%0.48839%0.387SS..Hα-helixtrans-61.2-43.7176.700000112.5D172 I173 L179 S180D172-A176 WeakPolarHBondContact O-CB 3.24Å; D172-A176 PolarHBondContact O-N 3.47Å; I173-A176 PolarHBondContact O-N 3.23Å; A176-L179 PolarHBondContact O-N 2.98Å; A176-S180 WeakPolarHBondContact O-CB 3.45Å; A176-S180 PolarHBondContact O-N 2.94Å
177I91.3Very high89Confident106 Ų10673.3 Ų73.354%0.54438%0.384SS..Hα-helixtrans-64.4-45.5177-68.8169.7000110.7I173 F174 M175 L179 S180 F181I173-I177 HydrophobicContact CG2-CD1 3.62Å; I173-I177 HydrophobicContact CG2-CG1 4.33Å; I173-I177 VanDerWaalsContact O-CG1 3.31Å; I173-I177 WeakPolarHBondContact O-CG1 3.34Å; I173-I177 PolarHBondContact O-N 3.39Å; F174-I177 PolarHBondContact O-N 3.1Å; M175-I177 PolarHBondContact O-N 2.87Å; I177-L179 VanDerWaalsContact C-N 3.34Å; I177-L179 PolarHBondContact O-N 3.41Å; I177-S180 PolarHBondContact O-N 2.97Å; I177-F181 WeakPolarHBondContact O-CB 3.05Å; I177-F181 PolarHBondContact O-N 2.9Å
178T90.6Very high88.7Confident28 Ų2874.1 Ų74.117%0.17238%0.383CS..Hα-helixtrans-62-42.8-179.8-60.30000111.2L140 L145 F174 M175 F181 K182L140-T178 HydrophobicContact CD2-CG2 4.12Å; L145-T178 HydrophobicContact CD1-CG2 3.88Å; L145-T178 HydrophobicContact CD2-CG2 4.13Å; F174-T178 WeakPolarHBondContact O-CB 3.24Å; F174-T178 PolarHBondContact O-N 3.38Å; F174-T178 PolarHBondContact O-OG1 3.34Å; M175-T178 PolarHBondContact O-N 2.94Å; T178-F181 PolarHBondContact O-N 3.5Å; T178-K182 WeakPolarHBondContact O-CB 3.36Å; T178-K182 PolarHBondContact O-N 3.47Å
179L90.7Very high88.3Confident89 Ų8978.3 Ų78.347%0.46639%0.389SS..Hα-helixtrans-63.5-47.2174.7-72170.7000111.6M175 A176 I177 F181 K182 E183M175-L179 WeakPolarHBondContact O-CB 3.29Å; M175-L179 VanDerWaalsContact O-CG 3.28Å; M175-L179 WeakPolarHBondContact O-CG 3.47Å; M175-L179 PolarHBondContact O-N 3.44Å; A176-L179 PolarHBondContact O-N 2.98Å; I177-L179 VanDerWaalsContact C-N 3.34Å; I177-L179 PolarHBondContact O-N 3.41Å; L179-F181 VanDerWaalsContact C-N 3.34Å; L179-F181 PolarHBondContact O-N 2.95Å; L179-K182 WeakPolarHBondContact O-CB 3.37Å; L179-K182 PolarHBondContact O-N 2.85Å; L179-E183 PolarHBondContact O-N 2.8Å
180S87.8Confident87.9Confident48 Ų4877.3 Ų77.334%0.33638%0.383SS..Hα-helixtrans-59.4-44.2176.4-179.90000111.8A176 I177 K182 E183 Q184A176-S180 WeakPolarHBondContact O-CB 3.45Å; A176-S180 PolarHBondContact O-N 2.94Å; I177-S180 PolarHBondContact O-N 2.97Å; S180-K182 VanDerWaalsContact C-N 3.33Å; S180-K182 PolarHBondContact O-N 3.27Å; S180-E183 PolarHBondContact O-N 3.25Å; S180-Q184 WeakPolarHBondContact O-CA 3.39Å; S180-Q184 VanDerWaalsContact O-CB 3.27Å; S180-Q184 WeakPolarHBondContact O-CB 3.2Å; S180-Q184 PolarHBondContact O-N 3.33Å; S180-Q184 PolarHBondContact OG-OE1 3.4Å
181F86.4Confident87.4Confident47 Ų4775.8 Ų75.821%0.20638%0.376CS..Hα-helixtrans-65.2-38177.7-164.8-98.9000111.9K136 L139 L140 I177 T178 L179 F185K136-F181 HydrophobicContact CB-CE1 4.38Å; K136-F181 VanDerWaalsContact CE-O 3.26Å; K136-F181 WeakPolarHBondContact CE-O 3.22Å; K136-F181 HydrophobicContact CG-CD1 4.44Å; K136-F181 HydrophobicContact CG-CE1 3.84Å; K136-F181 PolarHBondContact NZ-O 3.24Å; L139-F181 HydrophobicContact CB-CE1 3.95Å; L139-F181 HydrophobicContact CB-CZ 4.41Å; L139-F181 HydrophobicContact CD1-CE1 3.98Å; L139-F181 HydrophobicContact CD1-CE2 4.48Å; L139-F181 HydrophobicContact CD1-CZ 3.57Å; L140-F181 HydrophobicContact CD1-CD1 4.14Å; L140-F181 HydrophobicContact CD2-CD1 3.83Å; L140-F181 HydrophobicContact CG-CD1 3.86Å; L140-F181 HydrophobicContact CG-CE1 4.26Å; I177-F181 WeakPolarHBondContact O-CB 3.05Å; I177-F181 PolarHBondContact O-N 2.9Å; T178-F181 PolarHBondContact O-N 3.5Å; L179-F181 VanDerWaalsContact C-N 3.34Å; L179-F181 PolarHBondContact O-N 2.95Å; F181-F185 HydrophobicContact CD2-CB 3.9Å; F181-F185 HydrophobicContact CD2-CD1 4.39Å; F181-F185 AromaticContact CD2-CD2 3.8Å; F181-F185 HydrophobicContact CD2-CD2 3.8Å; F181-F185 HydrophobicContact CD2-CE2 4.34Å; F181-F185 AromaticContact CD2-CG 3.8Å; F181-F185 HydrophobicContact CD2-CG 3.8Å; F181-F185 HydrophobicContact CE1-CD1 4.25Å; F181-F185 HydrophobicContact CE2-CB 4.04Å; F181-F185 AromaticContact CE2-CD1 3.67Å; F181-F185 HydrophobicContact CE2-CD1 3.67Å; F181-F185 AromaticContact CE2-CD2 3.43Å; F181-F185 HydrophobicContact CE2-CD2 3.43Å; F181-F185 VanDerWaalsContact CE2-CD2 3.43Å; F181-F185 AromaticContact CE2-CE1 3.82Å; F181-F185 HydrophobicContact CE2-CE1 3.82Å; F181-F185 AromaticContact CE2-CE2 3.58Å; F181-F185 HydrophobicContact CE2-CE2 3.58Å; F181-F185 AromaticContact CE2-CG 3.44Å; F181-F185 HydrophobicContact CE2-CG 3.44Å; F181-F185 VanDerWaalsContact CE2-CG 3.44Å; F181-F185 AromaticContact CE2-CZ 3.75Å; F181-F185 HydrophobicContact CE2-CZ 3.75Å; F181-F185 HydrophobicContact CG-CB 4.17Å; F181-F185 HydrophobicContact CG-CG 4.46Å; F181-F185 HydrophobicContact CZ-CB 4.43Å; F181-F185 AromaticContact CZ-CD1 3.57Å; F181-F185 HydrophobicContact CZ-CD1 3.57Å; F181-F185 HydrophobicContact CZ-CD2 4.21Å; F181-F185 AromaticContact CZ-CE1 3.66Å; F181-F185 HydrophobicContact CZ-CE1 3.66Å; F181-F185 HydrophobicContact CZ-CE2 4.28Å; F181-F185 AromaticContact CZ-CG 3.84Å; F181-F185 HydrophobicContact CZ-CG 3.84Å; F181-F185 HydrophobicContact CZ-CZ 4Å; F181-F185 WeakPolarHBondContact O-CB 3.31Å; F181-F185 PolarHBondContact O-N 2.04Å
182K87.3Confident87Confident134 Ų13476 Ų7658%0.58338%0.376SS*.Hα-helixtrans-61.8-48.1175.2-175.8179.7176.5-174.30111.8K136 L140 T178 L179 S180K136-K182 PolarHBondContact NZ-O 3.03Å; L140-K182 HydrophobicContact CD1-CB 4.21Å; L140-K182 HydrophobicContact CD1-CG 4.43Å; T178-K182 WeakPolarHBondContact O-CB 3.36Å; T178-K182 PolarHBondContact O-N 3.47Å; L179-K182 WeakPolarHBondContact O-CB 3.37Å; L179-K182 PolarHBondContact O-N 2.85Å; S180-K182 VanDerWaalsContact C-N 3.33Å; S180-K182 PolarHBondContact O-N 3.27Å
183E84Confident86.6Confident138 Ų13877.7 Ų77.765%0.64538%0.384SS*.Hα-helixtrans-88.9-46.5-171-65.5-177.8172.900113.4L179 S180L179-E183 PolarHBondContact O-N 2.8Å; S180-E183 PolarHBondContact O-N 3.25Å
184Q72.6Confident86.1Confident134 Ų13476.9 Ų76.963%0.62639%0.389SS*.Hα-helixtrans-93.5-22.2-167.7-55.3-175.22.200113.2S180 V186S180-Q184 WeakPolarHBondContact O-CA 3.39Å; S180-Q184 VanDerWaalsContact O-CB 3.27Å; S180-Q184 WeakPolarHBondContact O-CB 3.2Å; S180-Q184 PolarHBondContact O-N 3.33Å; S180-Q184 PolarHBondContact OG-OE1 3.4Å; Q184-V186 VanDerWaalsContact C-N 3.27Å; Q184-V186 PolarHBondContact O-N 2.86Å
185F71.4Confident85.6Confident70 Ų7078.7 Ų78.731%0.30741%0.414SS..  trans-76.380.7179.4-158.1-100.9000110.9K136 F181 V187 L190K136-F185 HydrophobicContact CD-CD1 4.29Å; K136-F185 PolarHBondContact NZ-O 3.4Å; F181-F185 HydrophobicContact CD2-CB 3.9Å; F181-F185 HydrophobicContact CD2-CD1 4.39Å; F181-F185 AromaticContact CD2-CD2 3.8Å; F181-F185 HydrophobicContact CD2-CD2 3.8Å; F181-F185 HydrophobicContact CD2-CE2 4.34Å; F181-F185 AromaticContact CD2-CG 3.8Å; F181-F185 HydrophobicContact CD2-CG 3.8Å; F181-F185 HydrophobicContact CE1-CD1 4.25Å; F181-F185 HydrophobicContact CE2-CB 4.04Å; F181-F185 AromaticContact CE2-CD1 3.67Å; F181-F185 HydrophobicContact CE2-CD1 3.67Å; F181-F185 AromaticContact CE2-CD2 3.43Å; F181-F185 HydrophobicContact CE2-CD2 3.43Å; F181-F185 VanDerWaalsContact CE2-CD2 3.43Å; F181-F185 AromaticContact CE2-CE1 3.82Å; F181-F185 HydrophobicContact CE2-CE1 3.82Å; F181-F185 AromaticContact CE2-CE2 3.58Å; F181-F185 HydrophobicContact CE2-CE2 3.58Å; F181-F185 AromaticContact CE2-CG 3.44Å; F181-F185 HydrophobicContact CE2-CG 3.44Å; F181-F185 VanDerWaalsContact CE2-CG 3.44Å; F181-F185 AromaticContact CE2-CZ 3.75Å; F181-F185 HydrophobicContact CE2-CZ 3.75Å; F181-F185 HydrophobicContact CG-CB 4.17Å; F181-F185 HydrophobicContact CG-CG 4.46Å; F181-F185 HydrophobicContact CZ-CB 4.43Å; F181-F185 AromaticContact CZ-CD1 3.57Å; F181-F185 HydrophobicContact CZ-CD1 3.57Å; F181-F185 HydrophobicContact CZ-CD2 4.21Å; F181-F185 AromaticContact CZ-CE1 3.66Å; F181-F185 HydrophobicContact CZ-CE1 3.66Å; F181-F185 HydrophobicContact CZ-CE2 4.28Å; F181-F185 AromaticContact CZ-CG 3.84Å; F181-F185 HydrophobicContact CZ-CG 3.84Å; F181-F185 HydrophobicContact CZ-CZ 4Å; F181-F185 WeakPolarHBondContact O-CB 3.31Å; F181-F185 PolarHBondContact O-N 2.04Å; F185-V187 HydrophobicContact CD1-CG2 4.44Å; F185-V187 PolarHBondContact O-N 3.33Å; F185-L190 HydrophobicContact CD1-CD1 4.1Å; F185-L190 HydrophobicContact CD2-CD1 4.1Å; F185-L190 HydrophobicContact CE1-CD1 3.45Å; F185-L190 VanDerWaalsContact CE1-CD1 3.45Å; F185-L190 HydrophobicContact CE2-CD1 3.45Å; F185-L190 VanDerWaalsContact CE2-CD1 3.45Å; F185-L190 HydrophobicContact CG-CD1 4.41Å; F185-L190 HydrophobicContact CZ-CD1 3.1Å
186V80Confident85.1Confident66 Ų6679.5 Ų79.540%0.442%0.416SS..  trans-87.8101.3176.1-176.50000108.7Q184 Y188 R189 L190Q184-V186 VanDerWaalsContact C-N 3.27Å; Q184-V186 PolarHBondContact O-N 2.86Å; V186-Y188 PolarHBondContact O-N 2.99Å; V186-Y188 VanDerWaalsContact O-N 3.09Å; V186-R189 HydrophobicContact CB-CB 4.36Å; V186-R189 WeakPolarHBondContact O-CB 3.1Å; V186-R189 PolarHBondContact O-N 3.42Å; V186-L190 PolarHBondContact O-N 2.96Å
187V85.5Confident84.5Confident10 Ų1076.9 Ų76.96%0.06139%0.394CS..Hα-helixtrans-48.4-41-179.8177.30000112.4G132 K133 K136 F185 R189 L190 C191G132-V187 VanDerWaalsContact C-CG2 3.46Å; G132-V187 WeakPolarHBondContact O-CG2 3.23Å; K133-V187 HydrophobicContact CG-CG2 4.41Å; K136-V187 HydrophobicContact CB-CG2 4.33Å; K136-V187 HydrophobicContact CD-CG2 4.33Å; F185-V187 HydrophobicContact CD1-CG2 4.44Å; F185-V187 PolarHBondContact O-N 3.33Å; V187-R189 VanDerWaalsContact C-N 3.28Å; V187-R189 PolarHBondContact O-N 3.07Å; V187-L190 WeakPolarHBondContact O-CB 3.33Å; V187-L190 PolarHBondContact O-N 3.47Å; V187-L190 VanDerWaalsContact O-N 3.15Å; V187-C191 PolarHBondContact O-N 2.95Å; V187-C191 PolarHBondContact O-SG 3.3Å
188Y86.3Confident84.1Confident74 Ų7482.7 Ų82.729%0.2941%0.409SS..Hα-helixtrans-58.2-38.5178-178.7-97.2000113.2V129 V186 L190 C191 K192 C197 R198V129-Y188 HydrophobicContact CG2-CD2 3.86Å; V186-Y188 PolarHBondContact O-N 2.99Å; V186-Y188 VanDerWaalsContact O-N 3.09Å; Y188-L190 VanDerWaalsContact C-N 3.34Å; Y188-C191 PolarHBondContact O-N 3.28Å; Y188-K192 HydrophobicContact CE1-CD 4.44Å; Y188-K192 WeakPolarHBondContact O-CB 3.37Å; Y188-K192 PolarHBondContact O-N 3.41Å; Y188-C197 HydrophobicContact CE2-CB 3.93Å; Y188-R198 PolarHBondContact OH-O 2.93Å
189R85.9Confident82.9Confident156 Ų15689.1 Ų89.159%0.58943%0.434SS*.Hα-helixtrans-66.3-39.2178.8-169.8-175.4-65176.90.2110.9V186 V187 K192 N193V186-R189 HydrophobicContact CB-CB 4.36Å; V186-R189 WeakPolarHBondContact O-CB 3.1Å; V186-R189 PolarHBondContact O-N 3.42Å; V187-R189 VanDerWaalsContact C-N 3.28Å; V187-R189 PolarHBondContact O-N 3.07Å; R189-K192 PolarHBondContact O-N 3.48Å; R189-N193 WeakPolarHBondContact O-CB 3.42Å; R189-N193 PolarHBondContact O-N 3.04Å; R189-N193 PolarHBondContact O-OD1 3.4Å
190L86.2Confident81.4Confident79 Ų7990.9 Ų90.941%0.41444%0.443SS..Hα-helixtrans-64.1-47.6174.5-61.7168.9000110.9F185 V186 V187 Y188 K192 N193 A194F185-L190 HydrophobicContact CD1-CD1 4.1Å; F185-L190 HydrophobicContact CD2-CD1 4.1Å; F185-L190 HydrophobicContact CE1-CD1 3.45Å; F185-L190 VanDerWaalsContact CE1-CD1 3.45Å; F185-L190 HydrophobicContact CE2-CD1 3.45Å; F185-L190 VanDerWaalsContact CE2-CD1 3.45Å; F185-L190 HydrophobicContact CG-CD1 4.41Å; F185-L190 HydrophobicContact CZ-CD1 3.1Å; V186-L190 PolarHBondContact O-N 2.96Å; V187-L190 WeakPolarHBondContact O-CB 3.33Å; V187-L190 PolarHBondContact O-N 3.47Å; V187-L190 VanDerWaalsContact O-N 3.15Å; Y188-L190 VanDerWaalsContact C-N 3.34Å; L190-K192 VanDerWaalsContact C-N 3.26Å; L190-K192 PolarHBondContact O-N 2.94Å; L190-N193 PolarHBondContact O-N 2.93Å; L190-A194 WeakPolarHBondContact O-CB 3.48Å; L190-A194 PolarHBondContact O-N 2.94Å
191C84.1Confident78.9Confident1 Ų192.1 Ų92.11%0.00745%0.452CS..Hα-helixtrans-59-38.5175.9-62.70000112.4C128 V129 V187 Y188 G195 F196 C197C128-C191 HydrophobicContact CB-CB 3.79Å; C128-C191 WeakPolarHBondContact CB-SG 3.38Å; C128-C191 WeakPolarHBondContact SG-CA 3.07Å; C128-C191 WeakPolarHBondContact SG-CB 3.05Å; C128-C191 CovalentContact SG-SG 2.03Å; C128-C191 PolarHBondContact SG-SG 2.87Å; V129-C191 HydrophobicContact CG2-CB 4.41Å; V129-C191 PolarHBondContact N-SG 2.91Å; V187-C191 PolarHBondContact O-N 2.95Å; V187-C191 PolarHBondContact O-SG 3.3Å; Y188-C191 PolarHBondContact O-N 3.28Å; C191-G195 PolarHBondContact O-N 2.81Å; C191-F196 HydrophobicContact CB-CB 4.38Å; C191-F196 WeakPolarHBondContact O-CA 3.07Å; C191-F196 WeakPolarHBondContact O-CB 3.27Å; C191-F196 PolarHBondContact O-N 3.45Å; C191-C197 HydrophobicContact CB-CB 4.41Å; C191-C197 WeakPolarHBondContact CB-SG 3.35Å; C191-C197 PolarHBondContact O-N 3.49Å; C191-C197 VanDerWaalsContact O-N 3.11Å
192K87.3Confident76.7Confident78 Ų7899.2 Ų99.234%0.33948%0.483SS..Hα-helixtrans-67-46.7175.1-177.4-175.2176.4-175.50112.1Y188 R189 L190 A194 G195 C197Y188-K192 HydrophobicContact CE1-CD 4.44Å; Y188-K192 WeakPolarHBondContact O-CB 3.37Å; Y188-K192 PolarHBondContact O-N 3.41Å; R189-K192 PolarHBondContact O-N 3.48Å; L190-K192 VanDerWaalsContact C-N 3.26Å; L190-K192 PolarHBondContact O-N 2.94Å; K192-A194 VanDerWaalsContact C-N 3.3Å; K192-A194 PolarHBondContact O-N 3.11Å; K192-G195 PolarHBondContact O-N 3.15Å; K192-C197 HydrophobicContact CB-CB 4.18Å
193N85.9Confident74.3Confident126 Ų12699.1 Ų99.167%0.67449%0.488SS*.Hα-helixtrans-66.7-33.1-179.8-70.90.7000112R189 L190 G195R189-N193 WeakPolarHBondContact O-CB 3.42Å; R189-N193 PolarHBondContact O-N 3.04Å; R189-N193 PolarHBondContact O-OD1 3.4Å; L190-N193 PolarHBondContact O-N 2.93Å; N193-G195 PolarHBondContact O-N 2.85Å
194A84.6Confident72Confident59 Ų5999.6 Ų99.649%0.48849%0.494SS..THydrogen-bonded Turntrans-74.9-1.617200000113.7L190 K192 F196L190-A194 WeakPolarHBondContact O-CB 3.48Å; L190-A194 PolarHBondContact O-N 2.94Å; K192-A194 VanDerWaalsContact C-N 3.3Å; K192-A194 PolarHBondContact O-N 3.11Å; A194-F196 VanDerWaalsContact C-N 3.3Å; A194-F196 HydrophobicContact CB-CD2 3.61Å; A194-F196 HydrophobicContact CB-CE2 3.6Å; A194-F196 HydrophobicContact CB-CG 4.36Å; A194-F196 HydrophobicContact CB-CZ 4.32Å; A194-F196 PolarHBondContact O-N 3.21Å
195G82.7Confident70.3Confident61 Ų61103.7 Ų103.763%0.62951%0.505SS*.THydrogen-bonded Turntrans79.54179.700000115.2C191 K192 N193C191-G195 PolarHBondContact O-N 2.81Å; K192-G195 PolarHBondContact O-N 3.15Å; N193-G195 PolarHBondContact O-N 2.85Å
196F83Confident68.3Low106 Ų106107.5 Ų107.547%0.46552%0.524SS..SBendtrans-75.3-29.4178.1-59.2-42.3000113.2V124 C125 C128 C191 A194V124-F196 HydrophobicContact CG1-CB 3.97Å; V124-F196 HydrophobicContact CG1-CD1 3.66Å; V124-F196 HydrophobicContact CG1-CG 4.08Å; C125-F196 WeakPolarHBondContact CA-O 3.32Å; C125-F196 VanDerWaalsContact CB-O 3.31Å; C125-F196 WeakPolarHBondContact CB-O 3.43Å; C125-F196 PolarHBondContact N-O 2.97Å; C128-F196 HydrophobicContact CB-CB 4.04Å; C128-F196 HydrophobicContact CB-CD2 3.96Å; C128-F196 HydrophobicContact CB-CG 4.28Å; C128-F196 VanDerWaalsContact SG-CD2 3.56Å; C191-F196 HydrophobicContact CB-CB 4.38Å; C191-F196 WeakPolarHBondContact O-CA 3.07Å; C191-F196 WeakPolarHBondContact O-CB 3.27Å; C191-F196 PolarHBondContact O-N 3.45Å; A194-F196 VanDerWaalsContact C-N 3.3Å; A194-F196 HydrophobicContact CB-CD2 3.61Å; A194-F196 HydrophobicContact CB-CE2 3.6Å; A194-F196 HydrophobicContact CB-CG 4.36Å; A194-F196 HydrophobicContact CB-CZ 4.32Å; A194-F196 PolarHBondContact O-N 3.21Å
197C81.8Confident66.1Low5 Ų5119.1 Ų119.13%0.03456%0.563CS.*SBendtrans-112.8131.6174.1-62.60000110.3C125 Y188 C191 K192C125-C197 WeakPolarHBondContact CA-SG 3.24Å; C125-C197 HydrophobicContact CB-CB 3.89Å; C125-C197 WeakPolarHBondContact CB-SG 3.26Å; C125-C197 WeakPolarHBondContact SG-CB 3.31Å; C125-C197 CovalentContact SG-SG 2.04Å; C125-C197 PolarHBondContact SG-SG 3.09Å; Y188-C197 HydrophobicContact CE2-CB 3.93Å; C191-C197 HydrophobicContact CB-CB 4.41Å; C191-C197 WeakPolarHBondContact CB-SG 3.35Å; C191-C197 PolarHBondContact O-N 3.49Å; C191-C197 VanDerWaalsContact O-N 3.11Å; K192-C197 HydrophobicContact CB-CB 4.18Å
198R82.1Confident65.2Low227 Ų227124.6 Ų124.686%0.85759%0.588SS**  trans-74.1156.8168.4-67.2-177.3179.4174.9-0.3109.6Y188 I200Y188-R198 PolarHBondContact OH-O 2.93Å; R198-I200 PolarHBondContact O-N 3.31Å; R198-I200 VanDerWaalsContact O-N 3.16Å
199K66.1Low64Low163 Ų163127.2 Ų127.271%0.70960%0.603SS**  trans-54.8123.4160.3-77.5177.2-179.4178.10106.3S201K199-S201 VanDerWaalsContact C-N 3.34Å; K199-S201 PolarHBondContact O-N 3.44Å
200I57.7Low62.8Low126 Ų126125.6 Ų125.665%0.64660%0.604SS**  trans-59.4106.5165.7-65.3165.7000104.4R198 K202R198-I200 PolarHBondContact O-N 3.31Å; R198-I200 VanDerWaalsContact O-N 3.16Å; I200-K202 PolarHBondContact O-N 3.12Å
201S36.1Very low61.4Low75 Ų75128.4 Ų128.452%0.52462%0.616SS.*  trans-58.6130.3165.643.80000106.3K199 L203K199-S201 VanDerWaalsContact C-N 3.34Å; K199-S201 PolarHBondContact O-N 3.44Å; S201-L203 PolarHBondContact O-N 3.3Å
202K41Very low60Low196 Ų196136.3 Ų136.385%0.85265%0.654SS**SBendtrans-54.66.9178-83.1179.8167.4-175.60115.4I200 L204I200-K202 PolarHBondContact O-N 3.12Å; K202-L204 PolarHBondContact O-N 3.33Å
203L35.9Very low58.2Low131 Ų131140.2 Ų140.269%0.68668%0.675SS**THydrogen-bonded Turntrans-91.823.8-172.3-68166.5000114.6S201S201-L203 PolarHBondContact O-N 3.3Å
204L36.4Very low56.2Low149 Ų149141.2 Ų141.278%0.7868%0.675SS**THydrogen-bonded Turntrans-118.618.7171.8-75.1170.8000112.7K202K202-L204 PolarHBondContact O-N 3.33Å
205Y36.3Very low54.1Low220 Ų220147.5 Ų147.586%0.86369%0.689SS**SBendtrans-128.625173.3-78.8-78.6000112.5
206E29.6Very low51.7Low149 Ų149154.8 Ų154.870%0.69669%0.694SS**  trans-128.672.2169-75.3178174.500108.4
207Y34.1Very low48.8Very low310 Ų310159.2 Ų159.2100%1.21672%0.715SS**  trans-168.90151.2-99.9-70.7000108.6

Retrieved 207 of 207 residues in 54.2 ms (Link to these results)

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