A0A087XQF6_POEFO Loading...

Protein DBF4 homolog B-like

AlphaFold DB , UniProt , Accession A0A087XQF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 564 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
1M48.8Very low53Low189 Ų189112.8 Ų112.893%0.93160%0.597SS**  0-43.50-68.8-173.376.600113.6L3 L4 L5M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.32Å; M1-L3 VanDerWaalsContact O-N 3.09Å; M1-L4 WeakPolarHBondContact O-CB 3.5Å; M1-L4 PolarHBondContact O-N 3.41Å; M1-L5 PolarHBondContact O-N 2.76Å
2C45.5Very low54.1Low100 Ų100113.3 Ų113.368%0.67660%0.599SS**Hα-helixtrans-47.9-43.4-171.5-46.80000115.4L4 L5 Q6C2-L4 PolarHBondContact O-N 3.26Å; C2-L5 PolarHBondContact O-N 2.84Å; C2-Q6 WeakPolarHBondContact O-CB 3.49Å; C2-Q6 PolarHBondContact O-N 3.41Å
3L44.3Very low55.3Low126 Ų126112.8 Ų112.866%0.6660%0.597SS**Hα-helixtrans-58.6-41.5176-71.4171000113.3M1 Q6 F7M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.32Å; M1-L3 VanDerWaalsContact O-N 3.09Å; L3-Q6 PolarHBondContact O-N 3.5Å; L3-F7 VanDerWaalsContact O-CD2 3.25Å; L3-F7 WeakPolarHBondContact O-CD2 3.31Å; L3-F7 PolarHBondContact O-N 3.4Å
4L51.9Low56.3Low139 Ų139110.6 Ų110.673%0.72859%0.585SS**Hα-helixtrans-66.2-37.4177.4-76.1164.6000111.8M1 C2 Q6 G8M1-L4 WeakPolarHBondContact O-CB 3.5Å; M1-L4 PolarHBondContact O-N 3.41Å; C2-L4 PolarHBondContact O-N 3.26Å; L4-Q6 VanDerWaalsContact C-N 3.34Å; L4-G8 PolarHBondContact O-N 2.78Å
5L55.8Low57.7Low120 Ų120107.5 Ų107.563%0.62857%0.568SS**Hα-helixtrans-66.5-37.5173.9-64.2172.4000111.5M1 C2 G8 S9M1-L5 PolarHBondContact O-N 2.76Å; C2-L5 PolarHBondContact O-N 2.84Å; L5-G8 PolarHBondContact O-N 3.43Å; L5-S9 WeakPolarHBondContact O-CB 3.23Å; L5-S9 PolarHBondContact O-N 3.33Å
6Q50.7Low58.9Low128 Ų128105.4 Ų105.460%0.59856%0.562SS**Hα-helixtrans-74.3-38179.5-161.5161.35.200112.4C2 L3 L4 S9 L10C2-Q6 WeakPolarHBondContact O-CB 3.49Å; C2-Q6 PolarHBondContact O-N 3.41Å; L3-Q6 PolarHBondContact O-N 3.5Å; L4-Q6 VanDerWaalsContact C-N 3.34Å; Q6-S9 PolarHBondContact O-N 3.5Å; Q6-L10 WeakPolarHBondContact O-CB 3.3Å; Q6-L10 WeakPolarHBondContact O-CG 3.24Å; Q6-L10 PolarHBondContact O-N 2.93Å
7F53.1Low59.8Low118 Ų118105.5 Ų105.552%0.51856%0.563SS.*Hα-helixtrans-64.5-41.4168-84.9-69.3000112.1L3 L10 F11 L81L3-F7 VanDerWaalsContact O-CD2 3.25Å; L3-F7 WeakPolarHBondContact O-CD2 3.31Å; L3-F7 PolarHBondContact O-N 3.4Å; F7-L10 PolarHBondContact O-N 3.48Å; F7-F11 WeakPolarHBondContact O-CB 3.43Å; F7-F11 PolarHBondContact O-N 3.42Å; F7-L81 HydrophobicContact CE1-CD1 4Å; F7-L81 HydrophobicContact CZ-CD1 4.32Å
8G52.9Low60.7Low32 Ų32102.3 Ų102.333%0.3355%0.548SS..Hα-helixtrans-60.6-45.4174.300000112.5L4 L5 F11 L12L4-G8 PolarHBondContact O-N 2.78Å; L5-G8 PolarHBondContact O-N 3.43Å; G8-F11 PolarHBondContact O-N 3.34Å; G8-L12 WeakPolarHBondContact O-CB 3.47Å; G8-L12 VanDerWaalsContact O-CG 3.31Å; G8-L12 WeakPolarHBondContact O-CG 3.47Å; G8-L12 PolarHBondContact O-N 3.06Å
9S59.5Low61.5Low59 Ų59101.8 Ų101.841%0.41355%0.545SS..Hα-helixtrans-61.5-45.8174.6-178.10000112.2L5 Q6 F11 L12 N13L5-S9 WeakPolarHBondContact O-CB 3.23Å; L5-S9 PolarHBondContact O-N 3.33Å; Q6-S9 PolarHBondContact O-N 3.5Å; S9-F11 VanDerWaalsContact C-N 3.31Å; S9-F11 PolarHBondContact O-N 3.27Å; S9-L12 PolarHBondContact O-N 3.49Å; S9-N13 PolarHBondContact O-N 3.03Å; S9-N13 PolarHBondContact O-ND2 3.34Å; S9-N13 PolarHBondContact OG-ND2 3.15Å
10L59.9Low62.2Low88 Ų88101.4 Ų101.446%0.46154%0.542SS..Hα-helixtrans-61.2-38.2175.2-75.3166.3000112.3Q6 F7 N13 L14Q6-L10 WeakPolarHBondContact O-CB 3.3Å; Q6-L10 WeakPolarHBondContact O-CG 3.24Å; Q6-L10 PolarHBondContact O-N 2.93Å; F7-L10 PolarHBondContact O-N 3.48Å; L10-N13 PolarHBondContact O-N 3.41Å; L10-L14 WeakPolarHBondContact O-CB 3.36Å; L10-L14 PolarHBondContact O-N 3.36Å
11F60.4Low62.7Low142 Ų142102.7 Ų102.762%0.62354%0.54SS*.Hα-helixtrans-69.5-40.6177.2-165.3-96.4000112.5F7 G8 S9 N13 L14 L15F7-F11 WeakPolarHBondContact O-CB 3.43Å; F7-F11 PolarHBondContact O-N 3.42Å; G8-F11 PolarHBondContact O-N 3.34Å; S9-F11 VanDerWaalsContact C-N 3.31Å; S9-F11 PolarHBondContact O-N 3.27Å; F11-N13 VanDerWaalsContact C-N 3.34Å; F11-N13 PolarHBondContact O-N 2.82Å; F11-L14 PolarHBondContact O-N 3.3Å; F11-L15 HydrophobicContact CD1-CD1 3.84Å; F11-L15 HydrophobicContact CD1-CG 4.19Å; F11-L15 HydrophobicContact CE1-CD1 3.86Å; F11-L15 HydrophobicContact CE1-CD2 4.39Å; F11-L15 HydrophobicContact CE1-CG 4.07Å; F11-L15 WeakPolarHBondContact O-CG 3.36Å; F11-L15 PolarHBondContact O-N 3.29Å
12L66Low63.7Low119 Ų11995 Ų9562%0.62350%0.503SS*.Hα-helixtrans-63.4-37.7174.2-73.5167.5000112.4G8 S9 L15 P16G8-L12 WeakPolarHBondContact O-CB 3.47Å; G8-L12 VanDerWaalsContact O-CG 3.31Å; G8-L12 WeakPolarHBondContact O-CG 3.47Å; G8-L12 PolarHBondContact O-N 3.06Å; S9-L12 PolarHBondContact O-N 3.49Å; L12-L15 HydrophobicContact CD2-CD1 4.29Å; L12-P16 WeakPolarHBondContact O-CD 3.34Å
13N69.4Low64.9Low107 Ų10797.2 Ų97.257%0.57250%0.501SS*.Hα-helixtrans-72-30.3175-74.5-64.5000113.1S9 L10 F11 P16S9-N13 PolarHBondContact O-N 3.03Å; S9-N13 PolarHBondContact O-ND2 3.34Å; S9-N13 PolarHBondContact OG-ND2 3.15Å; L10-N13 PolarHBondContact O-N 3.41Å; F11-N13 VanDerWaalsContact C-N 3.34Å; F11-N13 PolarHBondContact O-N 2.82Å; N13-P16 WeakPolarHBondContact O-CD 3.19Å; N13-P16 WeakPolarHBondContact O-CG 3.4Å
14L70.4Confident65.9Low81 Ų8196 Ų9642%0.42449%0.492SS..Hα-helixtrans-82.8-23.6178.5-16071.8000113.3L10 F11 D17 V18L10-L14 WeakPolarHBondContact O-CB 3.36Å; L10-L14 PolarHBondContact O-N 3.36Å; F11-L14 PolarHBondContact O-N 3.3Å; L14-D17 PolarHBondContact O-N 2.94Å; L14-V18 HydrophobicContact CG-CG2 4.13Å; L14-V18 WeakPolarHBondContact O-CB 3.43Å; L14-V18 WeakPolarHBondContact O-CG2 3.43Å; L14-V18 PolarHBondContact O-N 2.87Å
15L76.6Confident66.1Low64 Ų6492.3 Ų92.334%0.33547%0.473SS..Hα-helixtrans-54.2-47.8177.2-92.7166.3000115F11 L12 V18 L19F11-L15 HydrophobicContact CD1-CD1 3.84Å; F11-L15 HydrophobicContact CD1-CG 4.19Å; F11-L15 HydrophobicContact CE1-CD1 3.86Å; F11-L15 HydrophobicContact CE1-CD2 4.39Å; F11-L15 HydrophobicContact CE1-CG 4.07Å; F11-L15 WeakPolarHBondContact O-CG 3.36Å; F11-L15 PolarHBondContact O-N 3.29Å; L12-L15 HydrophobicContact CD2-CD1 4.29Å; L15-V18 PolarHBondContact O-N 3.44Å; L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 WeakPolarHBondContact O-CG 3.31Å; L15-L19 PolarHBondContact O-N 2.85Å
16P76.6Confident66.2Low74 Ų7488.7 Ų88.748%0.48146%0.457SS..Hα-helixtrans-61.5-43.117822.2-33.6000112.9L12 N13 L19 L20L12-P16 WeakPolarHBondContact O-CD 3.34Å; N13-P16 WeakPolarHBondContact O-CD 3.19Å; N13-P16 WeakPolarHBondContact O-CG 3.4Å; P16-L19 PolarHBondContact O-N 3.05Å; P16-L20 WeakPolarHBondContact O-CB 3.5Å; P16-L20 PolarHBondContact O-N 3.4Å
17D74.7Confident66.3Low107 Ų10789.2 Ų89.257%0.57245%0.453SS*.Hα-helixtrans-64.7-43.4178-75.5-20.7000111.9L14 L20 Y21L14-D17 PolarHBondContact O-N 2.94Å; D17-L20 PolarHBondContact O-N 3.25Å; D17-Y21 WeakPolarHBondContact O-CB 3.08Å; D17-Y21 PolarHBondContact O-N 3.32Å
18V75.5Confident65.9Low49 Ų4989.3 Ų89.330%0.29746%0.456SS..Hα-helixtrans-62.8-43.7174.6169.40000110.6L14 L15 L20 Y21 L22L14-V18 HydrophobicContact CG-CG2 4.13Å; L14-V18 WeakPolarHBondContact O-CB 3.43Å; L14-V18 WeakPolarHBondContact O-CG2 3.43Å; L14-V18 PolarHBondContact O-N 2.87Å; L15-V18 PolarHBondContact O-N 3.44Å; V18-L20 VanDerWaalsContact C-N 3.35Å; V18-L20 PolarHBondContact O-N 3.24Å; V18-Y21 PolarHBondContact O-N 3.37Å; V18-L22 HydrophobicContact CG1-CD1 3.69Å; V18-L22 HydrophobicContact CG1-CG 4.3Å; V18-L22 WeakPolarHBondContact O-CB 3.26Å; V18-L22 WeakPolarHBondContact O-CD1 3.39Å; V18-L22 WeakPolarHBondContact O-CG 3.25Å; V18-L22 PolarHBondContact O-N 2.96Å
19L75.6Confident65.7Low93 Ų9390.6 Ų90.649%0.48746%0.459SS..Hα-helixtrans-64.2-37.1176.2-74167.8000112.5L15 P16 K23L15-L19 WeakPolarHBondContact O-CB 3.33Å; L15-L19 WeakPolarHBondContact O-CG 3.31Å; L15-L19 PolarHBondContact O-N 2.85Å; P16-L19 PolarHBondContact O-N 3.05Å; L19-K23 WeakPolarHBondContact O-CB 3.38Å; L19-K23 VanDerWaalsContact O-CG 3.27Å; L19-K23 WeakPolarHBondContact O-CG 3.44Å; L19-K23 PolarHBondContact O-N 2.76Å
20L77.1Confident65Low92 Ų9295.8 Ų95.848%0.48248%0.475SS..Hα-helixtrans-70.1-41.1176.9-167.9149.4000111.4P16 D17 V18 K23 H24P16-L20 WeakPolarHBondContact O-CB 3.5Å; P16-L20 PolarHBondContact O-N 3.4Å; D17-L20 PolarHBondContact O-N 3.25Å; V18-L20 VanDerWaalsContact C-N 3.35Å; V18-L20 PolarHBondContact O-N 3.24Å; L20-K23 WeakPolarHBondContact O-CB 3.4Å; L20-K23 PolarHBondContact O-N 3Å; L20-H24 WeakPolarHBondContact CD2-CE1 3.29Å; L20-H24 PolarHBondContact O-N 2.84Å
21Y71.7Confident64.2Low129 Ų12996.6 Ų96.651%0.50649%0.488SS..Hα-helixtrans-62.1-43.8171.5179.7-115.5000112.5D17 V18 K23 H24 L25D17-Y21 WeakPolarHBondContact O-CB 3.08Å; D17-Y21 PolarHBondContact O-N 3.32Å; V18-Y21 PolarHBondContact O-N 3.37Å; Y21-K23 VanDerWaalsContact C-N 3.35Å; Y21-K23 PolarHBondContact O-N 3.02Å; Y21-H24 PolarHBondContact O-N 2.87Å; Y21-L25 HydrophobicContact CD1-CD1 4.03Å; Y21-L25 HydrophobicContact CE1-CD1 3.5Å; Y21-L25 VanDerWaalsContact CE1-CD1 3.5Å; Y21-L25 HydrophobicContact CE1-CG 4.27Å; Y21-L25 HydrophobicContact CE2-CD1 4.32Å; Y21-L25 HydrophobicContact CE2-CD2 4.45Å; Y21-L25 HydrophobicContact CE2-CG 4.24Å; Y21-L25 WeakPolarHBondContact O-CG 3.46Å; Y21-L25 PolarHBondContact O-N 3.42Å
22L70.8Confident63.3Low29 Ų2993.7 Ų93.715%0.15249%0.49CS..Hα-helixtrans-65.6-36.1175.6-66.5165.2000111.8V18 S26 I61 L71V18-L22 HydrophobicContact CG1-CD1 3.69Å; V18-L22 HydrophobicContact CG1-CG 4.3Å; V18-L22 WeakPolarHBondContact O-CB 3.26Å; V18-L22 WeakPolarHBondContact O-CD1 3.39Å; V18-L22 WeakPolarHBondContact O-CG 3.25Å; V18-L22 PolarHBondContact O-N 2.96Å; L22-S26 WeakPolarHBondContact O-CB 3.41Å; L22-S26 PolarHBondContact O-N 3.2Å; L22-I61 HydrophobicContact CD1-CD1 3.62Å; L22-I61 HydrophobicContact CD2-CD1 4.31Å; L22-L71 HydrophobicContact CB-CD1 3.95Å; L22-L71 HydrophobicContact CD2-CB 3.93Å; L22-L71 HydrophobicContact CD2-CD1 3.59Å; L22-L71 HydrophobicContact CD2-CG 4.37Å; L22-L71 HydrophobicContact CG-CD1 4.25Å
23K70.2Confident62.2Low145 Ų14597.5 Ų97.563%0.6350%0.502SS*.Hα-helixtrans-59.5-48.5170.7-78.1169.3-179.7177.20111.1L19 L20 Y21 S26 R27L19-K23 WeakPolarHBondContact O-CB 3.38Å; L19-K23 VanDerWaalsContact O-CG 3.27Å; L19-K23 WeakPolarHBondContact O-CG 3.44Å; L19-K23 PolarHBondContact O-N 2.76Å; L20-K23 WeakPolarHBondContact O-CB 3.4Å; L20-K23 PolarHBondContact O-N 3Å; Y21-K23 VanDerWaalsContact C-N 3.35Å; Y21-K23 PolarHBondContact O-N 3.02Å; K23-S26 PolarHBondContact O-N 2.91Å; K23-S26 PolarHBondContact O-OG 3.34Å; K23-R27 PolarHBondContact O-N 3.19Å
24H64Low60.8Low100 Ų10098.5 Ų98.546%0.46351%0.514SS..Hα-helixtrans-59.6-50.5176.9-68.3172.9000112.3L20 Y21 S26 R27 E28L20-H24 WeakPolarHBondContact CD2-CE1 3.29Å; L20-H24 PolarHBondContact O-N 2.84Å; Y21-H24 PolarHBondContact O-N 2.87Å; H24-S26 VanDerWaalsContact C-N 3.27Å; H24-S26 PolarHBondContact O-N 3.01Å; H24-R27 PolarHBondContact O-N 2.98Å; H24-R27 VanDerWaalsContact O-N 3.14Å; H24-E28 PolarHBondContact O-N 3.39Å; H24-E28 VanDerWaalsContact O-N 3.1Å
25L56.3Low59.8Low63 Ų63104.2 Ų104.233%0.3354%0.536SS..Hα-helixtrans-58.9-36.6176-71.5179.5000112.9Y21 S29Y21-L25 HydrophobicContact CD1-CD1 4.03Å; Y21-L25 HydrophobicContact CE1-CD1 3.5Å; Y21-L25 VanDerWaalsContact CE1-CD1 3.5Å; Y21-L25 HydrophobicContact CE1-CG 4.27Å; Y21-L25 HydrophobicContact CE2-CD1 4.32Å; Y21-L25 HydrophobicContact CE2-CD2 4.45Å; Y21-L25 HydrophobicContact CE2-CG 4.24Å; Y21-L25 WeakPolarHBondContact O-CG 3.46Å; Y21-L25 PolarHBondContact O-N 3.42Å; L25-S29 PolarHBondContact O-N 2.64Å
26S57.6Low58.1Low43 Ų43112.8 Ų112.830%0.30156%0.564SS.*Hα-helixtrans-66.5-43.5177.278.60000111.5L22 K23 H24 E28 S29 F30L22-S26 WeakPolarHBondContact O-CB 3.41Å; L22-S26 PolarHBondContact O-N 3.2Å; K23-S26 PolarHBondContact O-N 2.91Å; K23-S26 PolarHBondContact O-OG 3.34Å; H24-S26 VanDerWaalsContact C-N 3.27Å; H24-S26 PolarHBondContact O-N 3.01Å; S26-E28 PolarHBondContact O-N 2.98Å; S26-S29 WeakPolarHBondContact O-CB 3.25Å; S26-S29 PolarHBondContact O-N 3.43Å; S26-S29 VanDerWaalsContact O-N 3.07Å; S26-S29 PolarHBondContact O-OG 3.2Å; S26-F30 WeakPolarHBondContact O-CD2 3.23Å; S26-F30 WeakPolarHBondContact O-CE2 3.11Å
27R53Low56.4Low139 Ų139115 Ų11553%0.52558%0.578SS.*Hα-helixtrans-63.3-40.3180178.9166.5130.9177.3-8.8112.4K23 H24 S29 Y138K23-R27 PolarHBondContact O-N 3.19Å; H24-R27 PolarHBondContact O-N 2.98Å; H24-R27 VanDerWaalsContact O-N 3.14Å; R27-S29 VanDerWaalsContact C-N 3.26Å; R27-S29 PolarHBondContact O-N 3.39Å; R27-Y138 VanDerWaalsContact NH2-CB 3.27Å
28E46.4Very low54.5Low120 Ų120119.4 Ų119.456%0.56160%0.595SS**Hα-helixtrans-62.1-32.9172.3-72.2175-140.900113H24 S26 F30H24-E28 PolarHBondContact O-N 3.39Å; H24-E28 VanDerWaalsContact O-N 3.1Å; S26-E28 PolarHBondContact O-N 2.98Å; E28-F30 VanDerWaalsContact C-N 3.28Å; E28-F30 PolarHBondContact O-N 3.18Å
29S47Very low53.3Low59 Ų59126.8 Ų126.841%0.41362%0.623SS.*THydrogen-bonded Turntrans-75-8.4-168.7800000115.8L25 S26 R27L25-S29 PolarHBondContact O-N 2.64Å; S26-S29 WeakPolarHBondContact O-CB 3.25Å; S26-S29 PolarHBondContact O-N 3.43Å; S26-S29 VanDerWaalsContact O-N 3.07Å; S26-S29 PolarHBondContact O-OG 3.2Å; R27-S29 VanDerWaalsContact C-N 3.26Å; R27-S29 PolarHBondContact O-N 3.39Å
30F44.6Very low51.4Low169 Ų169128.1 Ų128.174%0.74164%0.64SS**THydrogen-bonded Turntrans-99.8-7.7-175.9-70.5-70.6000115.5S26 E28 A32S26-F30 WeakPolarHBondContact O-CD2 3.23Å; S26-F30 WeakPolarHBondContact O-CE2 3.11Å; E28-F30 VanDerWaalsContact C-N 3.28Å; E28-F30 PolarHBondContact O-N 3.18Å; F30-A32 PolarHBondContact O-N 3.21Å
31S43.7Very low49.6Very low104 Ų104128.7 Ų128.773%0.72765%0.652SS**  trans-80.747.9-176.9-156.10000114.2
32A42.3Very low48.2Very low82 Ų82128.3 Ų128.368%0.67866%0.663SS**  trans-119.272.5-179.100000111.4F30 P34F30-A32 PolarHBondContact O-N 3.21Å; A32-P34 VanDerWaalsContact O-CD 3.3Å; A32-P34 WeakPolarHBondContact O-CD 3.49Å
33K42.3Very low47Very low198 Ų198136.4 Ų136.486%0.86170%0.697SS**  trans-56.9115.6176.7-68.5178.3179.8174.90110.4K35K33-K35 PolarHBondContact O-N 3.26Å
34P40.9Very low46.1Very low129 Ų129139 Ų13984%0.83871%0.712SS**  trans-74.2114.1-177.528.5-33.3000111.1A32A32-P34 VanDerWaalsContact O-CD 3.3Å; A32-P34 WeakPolarHBondContact O-CD 3.49Å
35K47.8Very low45.4Very low200 Ų200139.2 Ų139.287%0.8772%0.724SS**PPolyproline II helixtrans-66134.2166-83.4-173.7172.7-1790109.6K33 P37K33-K35 PolarHBondContact O-N 3.26Å; K35-P37 WeakPolarHBondContact O-CD 3.23Å
36R41.8Very low45.3Very low245 Ų245142.2 Ų142.293%0.92575%0.745SS**PPolyproline II helixtrans-58.7127.8169.9-80.1-178.7170.8172.6-2.4110.1
37P41Very low45.1Very low121 Ų121145.6 Ų145.679%0.78677%0.766SS**PPolyproline II helixtrans-80.5124.6160.931.6-30000109.5K35K35-P37 WeakPolarHBondContact O-CD 3.23Å
38E35.8Very low45.1Very low198 Ų198143 Ų14393%0.92578%0.775SS**PPolyproline II helixtrans-84.7152.2167.8-159.9153.6-138.400109.9
39K49.2Very low46Very low205 Ų205143.7 Ų143.789%0.89179%0.786SS**PPolyproline II helixtrans-94135.6-153.8-60.2175.3-176.7174.70114.4
40S35.3Very low46.9Very low121 Ų121150.1 Ų150.185%0.84681%0.807SS**  trans-144.7154.2145.4600000110.3
41S40.6Very low48.3Very low104 Ų104146.4 Ų146.473%0.72781%0.807SS**  trans-81165.7-179.761.20000110.6
42T41.2Very low50Low120 Ų120147.4 Ų147.474%0.73681%0.809SS**  cis-166.3171.640.8-38.60000110.4
43K46.1Very low52.1Low199 Ų199147.8 Ų147.887%0.86581%0.813SS**  trans82.3110177.8-56.2-177.4178.8-179.10114.5S45K43-S45 PolarHBondContact O-N 3.1Å
44Q51Low54.2Low200 Ų200140.3 Ų140.394%0.93578%0.782SS**  trans-83.993.8177.9-178.1178.47.900109.4
45S50.1Low56.4Low104 Ų104143.8 Ų143.873%0.72778%0.778SS**  trans-79.7138.4162.851.40000109.6K43K43-S45 PolarHBondContact O-N 3.1Å
46V54.3Low58.1Low127 Ų127137.8 Ų137.877%0.7777%0.766SS**  trans-63130.8166.7-178.70000107.3A48V46-A48 PolarHBondContact O-N 2.81Å
47P52.6Low60.4Low113 Ų113127.6 Ų127.673%0.73473%0.731SS**  trans-66.8100.5179.526.5-33.7000109.5V49P47-V49 PolarHBondContact O-N 3.02Å; P47-V49 VanDerWaalsContact O-N 3.09Å
48A53Low62.6Low86 Ų86125.6 Ų125.671%0.71171%0.709SS**  trans-57116178.400000109.9V46 K50V46-A48 PolarHBondContact O-N 2.81Å; A48-K50 PolarHBondContact O-N 3.4Å
49V65.1Low65.2Low133 Ų133120 Ų12081%0.80669%0.685SS**  trans-64.8110.6-177.7-179.50000108.5P47 A51P47-V49 PolarHBondContact O-N 3.02Å; P47-V49 VanDerWaalsContact O-N 3.09Å; V49-A51 HydrophobicContact CG1-CB 4.27Å; V49-A51 PolarHBondContact O-N 3.34Å
50K65.9Low67.2Low195 Ų195114.7 Ų114.785%0.84866%0.662SS**  trans-77.461.6179.1-65.4-174178.2-1780111.2A48 T52A48-K50 PolarHBondContact O-N 3.4Å; K50-T52 PolarHBondContact O-N 2.86Å; K50-T52 VanDerWaalsContact O-N 3.13Å
51A75Confident70Confident91 Ų91112.2 Ų112.275%0.75264%0.638SS**  trans-77.188.1172.600000109.7V49V49-A51 HydrophobicContact CG1-CB 4.27Å; V49-A51 PolarHBondContact O-N 3.34Å
52T79.4Confident72.7Confident124 Ų124111.4 Ų111.476%0.76162%0.623SS**PPolyproline II helixtrans-94.1125.9173.5-50.50000109.5K50K50-T52 PolarHBondContact O-N 2.86Å; K50-T52 VanDerWaalsContact O-N 3.13Å
53A86.8Confident75.3Confident91 Ų91107.7 Ų107.775%0.75260%0.599SS**PPolyproline II helixtrans-63.6144.2173.100000111.2
54L86.2Confident77.6Confident41 Ų41102.9 Ų102.922%0.21560%0.596CS.*PPolyproline II helixtrans-72.8135.5174.3-61.4176.1000109.7Y58 K60 H72 Q74L54-Y58 HydrophobicContact CB-CD1 3.6Å; L54-Y58 HydrophobicContact CB-CD2 3.97Å; L54-Y58 HydrophobicContact CB-CE1 3.97Å; L54-Y58 HydrophobicContact CB-CE2 4.29Å; L54-Y58 HydrophobicContact CB-CG 3.62Å; L54-Y58 HydrophobicContact CD1-CD2 3.54Å; L54-Y58 HydrophobicContact CD1-CE2 3.9Å; L54-Y58 HydrophobicContact CD1-CG 4.01Å; L54-Y58 HydrophobicContact CG-CD2 4.41Å; L54-Y58 HydrophobicContact CG-CG 4.48Å; L54-K60 HydrophobicContact CD1-CB 4.05Å; L54-K60 HydrophobicContact CD1-CD 4.16Å; L54-K60 HydrophobicContact CD1-CG 4.02Å; L54-H72 HydrophobicContact CD1-CB 3.92Å; L54-H72 HydrophobicContact CD2-CB 4.33Å; L54-Q74 VanDerWaalsContact CD2-NE2 3.3Å
55R87.3Confident79.7Confident202 Ų20298.5 Ų98.576%0.76258%0.579SS**PPolyproline II helixtrans-74.7129.4175.2-179.6177.3176.7172.80.8109.3P57R55-P57 CarbonylContact O-C 3.57Å
56A83.6Confident81.7Confident74 Ų74103.6 Ų103.661%0.61258%0.582SS**SBendtrans-73.6146.5173.800000111.9Y58A56-Y58 HydrophobicContact CB-CD1 4.42Å
57P88.6Confident83.7Confident30 Ų30105 Ų10520%0.19558%0.578CS.*SBendcis-73.2140.6-5.630-32.7000112.5R55 S75 F78R55-P57 CarbonylContact O-C 3.57Å; P57-S75 WeakPolarHBondContact CG-O 3.34Å; P57-S75 PolarHBondContact O-N 3.46Å; P57-F78 HydrophobicContact CB-CD2 3.65Å; P57-F78 HydrophobicContact CB-CE1 4.34Å; P57-F78 HydrophobicContact CB-CE2 3.43Å; P57-F78 VanDerWaalsContact CB-CE2 3.43Å; P57-F78 HydrophobicContact CB-CG 4.21Å; P57-F78 HydrophobicContact CB-CZ 3.81Å
58Y87.4Confident85.6Confident80 Ų80107.8 Ų107.831%0.31458%0.575SS.*EExtended strand (participates in β ladder)trans-139.9149.617568.4-96.3000111.8L54 A56 K60 M73 F78L54-Y58 HydrophobicContact CB-CD1 3.6Å; L54-Y58 HydrophobicContact CB-CD2 3.97Å; L54-Y58 HydrophobicContact CB-CE1 3.97Å; L54-Y58 HydrophobicContact CB-CE2 4.29Å; L54-Y58 HydrophobicContact CB-CG 3.62Å; L54-Y58 HydrophobicContact CD1-CD2 3.54Å; L54-Y58 HydrophobicContact CD1-CE2 3.9Å; L54-Y58 HydrophobicContact CD1-CG 4.01Å; L54-Y58 HydrophobicContact CG-CD2 4.41Å; L54-Y58 HydrophobicContact CG-CG 4.48Å; A56-Y58 HydrophobicContact CB-CD1 4.42Å; Y58-K60 HydrophobicContact CD2-CB 4.09Å; Y58-K60 HydrophobicContact CE2-CB 4.14Å; Y58-M73 CarbonylContact C-O 3.54Å; Y58-M73 VanDerWaalsContact CA-O 3.23Å; Y58-M73 WeakPolarHBondContact CA-O 3.22Å; Y58-M73 WeakPolarHBondContact CB-O 3.49Å; Y58-F78 WeakPolarHBondContact O-CZ 3.32Å
59L89.7Confident87.5Confident80 Ų80111.3 Ų111.342%0.41957%0.574SS.*EExtended strand (participates in β ladder)trans-108.2137.4162.2177.862.1000108I61 H72 M73L59-I61 HydrophobicContact CD2-CD1 4.28Å; L59-I61 HydrophobicContact CG-CD1 4.48Å; L59-I61 HydrophobicContact CG-CG1 4.32Å; L59-H72 CarbonylContact O-C 3.58Å; L59-H72 VanDerWaalsContact O-CA 3.26Å; L59-H72 WeakPolarHBondContact O-CA 3.32Å; L59-M73 HydrophobicContact CB-CB 4.48Å; L59-M73 HydrophobicContact CB-CE 4.44Å; L59-M73 HydrophobicContact CD2-CE 4.41Å; L59-M73 PolarHBondContact N-O 3.24Å; L59-M73 PolarHBondContact O-N 3.35Å
60K92.6Very high88.8Confident94 Ų94107.4 Ų107.441%0.40955%0.551SS.*EExtended strand (participates in β ladder)trans-133129.2178.5-169.8-164.3-175.9-151.10108.5L54 Y58 E62L54-K60 HydrophobicContact CD1-CB 4.05Å; L54-K60 HydrophobicContact CD1-CD 4.16Å; L54-K60 HydrophobicContact CD1-CG 4.02Å; Y58-K60 HydrophobicContact CD2-CB 4.09Å; Y58-K60 HydrophobicContact CE2-CB 4.14Å; K60-E62 WeakPolarHBondContact CE-OE1 3.46Å; K60-E62 WeakPolarHBondContact CE-OE2 3.47Å; K60-E62 IonicContact NZ-OE1 4Å; K60-E62 PolarHBondContact NZ-OE1 2.96Å; K60-E62 IonicContact NZ-OE2 3.13Å; K60-E62 PolarHBondContact NZ-OE2 2.73Å
61I94.1Very high90Very high68 Ų68100.6 Ų100.635%0.34952%0.524SS..EExtended strand (participates in β ladder)trans-123.4122.4-178.4-59.9172.8000107.6L22 L59 L71L22-I61 HydrophobicContact CD1-CD1 3.62Å; L22-I61 HydrophobicContact CD2-CD1 4.31Å; L59-I61 HydrophobicContact CD2-CD1 4.28Å; L59-I61 HydrophobicContact CG-CD1 4.48Å; L59-I61 HydrophobicContact CG-CG1 4.32Å; I61-L71 PolarHBondContact N-O 2.86Å; I61-L71 PolarHBondContact O-N 2.79Å
62E96.1Very high90.7Very high88 Ų88101.7 Ų101.741%0.41151%0.513SS..  trans-130.1139.5179.4-71.7-177.7139.200109.7K60 P70K60-E62 WeakPolarHBondContact CE-OE1 3.46Å; K60-E62 WeakPolarHBondContact CE-OE2 3.47Å; K60-E62 IonicContact NZ-OE1 4Å; K60-E62 PolarHBondContact NZ-OE1 2.96Å; K60-E62 IonicContact NZ-OE2 3.13Å; K60-E62 PolarHBondContact NZ-OE2 2.73Å; E62-P70 HydrophobicContact CG-CB 3.66Å; E62-P70 HydrophobicContact CG-CG 3.83Å; E62-P70 WeakPolarHBondContact OE1-CB 3.38Å; E62-P70 WeakPolarHBondContact OE1-CG 3.31Å
63D96.3Very high90.9Very high42 Ų4299.2 Ų99.223%0.22549%0.494CS..  trans-63.5132.5162.2151.550000109N65 R66 K67 Y68D63-N65 PolarHBondContact O-N 3.31Å; D63-N65 WeakPolarHBondContact OD1-CB 3.16Å; D63-N65 PolarHBondContact OD1-N 3.2Å; D63-N65 PolarHBondContact OD1-ND2 3.39Å; D63-N65 WeakPolarHBondContact OD2-CB 3.34Å; D63-R66 WeakPolarHBondContact O-CA 3.43Å; D63-R66 PolarHBondContact O-N 2.78Å; D63-R66 PolarHBondContact OD2-N 3.07Å; D63-K67 WeakPolarHBondContact OD2-CB 3.34Å; D63-K67 PolarHBondContact OD2-N 3.13Å; D63-Y68 HydrophobicContact CB-CD2 3.78Å
64A95.4Very high90.8Very high97 Ų9799.6 Ų99.680%0.80248%0.48SS*.THydrogen-bonded Turntrans-57.5-32.3179.100000112.6R66A64-R66 PolarHBondContact O-N 3.25Å
65N94.8Very high90.2Very high109 Ų10998.6 Ų98.658%0.58348%0.477SS*.THydrogen-bonded Turntrans-77.4-6.9176.1-51.6-93.4000113.4D63 K67D63-N65 PolarHBondContact O-N 3.31Å; D63-N65 WeakPolarHBondContact OD1-CB 3.16Å; D63-N65 PolarHBondContact OD1-N 3.2Å; D63-N65 PolarHBondContact OD1-ND2 3.39Å; D63-N65 WeakPolarHBondContact OD2-CB 3.34Å; N65-K67 HydrophobicContact CB-CD 3.82Å; N65-K67 HydrophobicContact CB-CG 3.89Å; N65-K67 PolarHBondContact O-N 2.93Å; N65-K67 VanDerWaalsContact O-N 3.13Å
66R92.2Very high89.1Confident210 Ų21096.2 Ų96.279%0.79248%0.484SS*.  trans53.726.4-177.5-55.5-179.6-179176.50.5114.4D63 A64D63-R66 WeakPolarHBondContact O-CA 3.43Å; D63-R66 PolarHBondContact O-N 2.78Å; D63-R66 PolarHBondContact OD2-N 3.07Å; A64-R66 PolarHBondContact O-N 3.25Å
67K94.7Very high88.8Confident157 Ų15795.5 Ų95.568%0.68348%0.478SS*.  trans-77-26.4178.5-67.4170-179.8164.60112.2D63 N65D63-K67 WeakPolarHBondContact OD2-CB 3.34Å; D63-K67 PolarHBondContact OD2-N 3.13Å; N65-K67 HydrophobicContact CB-CD 3.82Å; N65-K67 HydrophobicContact CB-CG 3.89Å; N65-K67 PolarHBondContact O-N 2.93Å; N65-K67 VanDerWaalsContact O-N 3.13Å
68Y93.9Very high88.4Confident172 Ų17299.6 Ų99.668%0.67549%0.493SS*.SBendtrans-106.6153.2-177.2-58.5-82.9000112.3D63D63-Y68 HydrophobicContact CB-CD2 3.78Å
69K92.8Very high88.2Confident159 Ų159100.1 Ų100.169%0.69151%0.507SS*.PPolyproline II helixtrans-64.5129.1177.3180-177.3172.3-1700110.2L71K69-L71 PolarHBondContact O-N 3.03Å
70P91.4Very high87.8Confident51 Ų5199.2 Ų99.233%0.33151%0.507SS..PPolyproline II helixtrans-56.2126.4177.5-28.336.5000112.9E62E62-P70 HydrophobicContact CG-CB 3.66Å; E62-P70 HydrophobicContact CG-CG 3.83Å; E62-P70 WeakPolarHBondContact OE1-CB 3.38Å; E62-P70 WeakPolarHBondContact OE1-CG 3.31Å
71L91.8Very high87.4Confident53 Ų5397.5 Ų97.528%0.27750%0.502SS..EExtended strand (participates in β ladder)trans-91.2140.2172.3-58.9-179.9000108.5L22 I61 K69L22-L71 HydrophobicContact CB-CD1 3.95Å; L22-L71 HydrophobicContact CD2-CB 3.93Å; L22-L71 HydrophobicContact CD2-CD1 3.59Å; L22-L71 HydrophobicContact CD2-CG 4.37Å; L22-L71 HydrophobicContact CG-CD1 4.25Å; I61-L71 PolarHBondContact N-O 2.86Å; I61-L71 PolarHBondContact O-N 2.79Å; K69-L71 PolarHBondContact O-N 3.03Å
72H89.4Confident86.9Confident113 Ų11398.9 Ų98.952%0.52350%0.503SS..EExtended strand (participates in β ladder)trans-150.5145.6-177.161-83000111.7L54 L59L54-H72 HydrophobicContact CD1-CB 3.92Å; L54-H72 HydrophobicContact CD2-CB 4.33Å; L59-H72 CarbonylContact O-C 3.58Å; L59-H72 VanDerWaalsContact O-CA 3.26Å; L59-H72 WeakPolarHBondContact O-CA 3.32Å
73M84.2Confident86.2Confident72 Ų72102.4 Ų102.436%0.35552%0.518SS..EExtended strand (participates in β ladder)trans-123.3125.3174.2-179.8172.468.700108Y58 L59Y58-M73 CarbonylContact C-O 3.54Å; Y58-M73 VanDerWaalsContact CA-O 3.23Å; Y58-M73 WeakPolarHBondContact CA-O 3.22Å; Y58-M73 WeakPolarHBondContact CB-O 3.49Å; L59-M73 HydrophobicContact CB-CB 4.48Å; L59-M73 HydrophobicContact CB-CE 4.44Å; L59-M73 HydrophobicContact CD2-CE 4.41Å; L59-M73 PolarHBondContact N-O 3.24Å; L59-M73 PolarHBondContact O-N 3.35Å
74Q84.9Confident85.3Confident99 Ų99109.1 Ų109.146%0.46355%0.553SS.*EExtended strand (participates in β ladder)trans-107.6118.4167.8-69.4178.82.100107.5L54L54-Q74 VanDerWaalsContact CD2-NE2 3.3Å
75S73.1Confident84.1Confident20 Ų20107.1 Ų107.114%0.1454%0.541CS..  trans-112.7168.6177.3590000110.2P57 A77P57-S75 WeakPolarHBondContact CG-O 3.34Å; P57-S75 PolarHBondContact O-N 3.46Å; S75-A77 WeakPolarHBondContact CB-O 3.33Å; S75-A77 PolarHBondContact OG-O 3.01Å
76V64.3Low83Confident153 Ų153113.7 Ų113.793%0.92756%0.558SS**SBendtrans-81.8-23.8173-66.40000112.3
77A76.7Confident82.3Confident58 Ų58111 Ų11148%0.47955%0.553SS.*SBendtrans-149157.4172.800000108.8S75S75-A77 WeakPolarHBondContact CB-O 3.33Å; S75-A77 PolarHBondContact OG-O 3.01Å
78F80.8Confident82Confident116 Ų116106.7 Ų106.751%0.50954%0.542SS..PPolyproline II helixtrans-71.7158.5161.9-75.1-65.6000110P57 Y58 S80P57-F78 HydrophobicContact CB-CD2 3.65Å; P57-F78 HydrophobicContact CB-CE1 4.34Å; P57-F78 HydrophobicContact CB-CE2 3.43Å; P57-F78 VanDerWaalsContact CB-CE2 3.43Å; P57-F78 HydrophobicContact CB-CG 4.21Å; P57-F78 HydrophobicContact CB-CZ 3.81Å; Y58-F78 WeakPolarHBondContact O-CZ 3.32Å; F78-S80 PolarHBondContact O-N 3.4Å
79P82.4Confident81.6Confident92 Ų92101.1 Ų101.160%0.59753%0.527SS*.PPolyproline II helixtrans-59121.6176.2-2334.2000111.6F90P79-F90 HydrophobicContact CB-CD1 3.65Å; P79-F90 HydrophobicContact CB-CE1 4.12Å
80S81.8Confident81.3Confident60 Ų6098 Ų9842%0.4251%0.513SS..PPolyproline II helixtrans-91.8148.2175.2-640000110.6F78F78-S80 PolarHBondContact O-N 3.4Å
81L85.1Confident80.9Confident59 Ų59101.1 Ų101.131%0.30952%0.524SS..PPolyproline II helixtrans-95.6122178.1-70.4169.8000111.5F7 F83 P89 F90F7-L81 HydrophobicContact CE1-CD1 4Å; F7-L81 HydrophobicContact CZ-CD1 4.32Å; L81-F83 HydrophobicContact CB-CD2 4.42Å; L81-F83 HydrophobicContact CB-CE2 3.69Å; L81-F83 HydrophobicContact CB-CZ 3.82Å; L81-F83 HydrophobicContact CD1-CE2 4.44Å; L81-F83 HydrophobicContact CD1-CZ 3.93Å; L81-F83 HydrophobicContact CG-CZ 4.38Å; L81-P89 CarbonylContact C-O 3.44Å; L81-P89 WeakPolarHBondContact CA-O 3.4Å; L81-P89 HydrophobicContact CD2-CB 3.79Å; L81-F90 HydrophobicContact CD2-CD1 3.89Å; L81-F90 HydrophobicContact CD2-CE1 3.42Å; L81-F90 VanDerWaalsContact CD2-CE1 3.42Å; L81-F90 HydrophobicContact CD2-CE2 4.41Å; L81-F90 HydrophobicContact CD2-CZ 3.73Å; L81-F90 HydrophobicContact CG-CE1 4.2Å
82Y82.5Confident79.9Confident96 Ų96102.4 Ų102.438%0.37654%0.537SS..  trans-113.290-178.8-63.3-79.1000111L84 P89 E91 P93Y82-L84 PolarHBondContact O-N 3.33Å; Y82-L84 VanDerWaalsContact O-N 3.15Å; Y82-P89 PolarHBondContact N-O 3.15Å; Y82-E91 WeakPolarHBondContact CD2-O 3.27Å; Y82-P93 VanDerWaalsContact CD1-CD 3.47Å; Y82-P93 HydrophobicContact CD1-CG 3.98Å; Y82-P93 HydrophobicContact CE1-CG 4.07Å
83F81.8Confident78.8Confident163 Ų163100.7 Ų100.772%0.71554%0.536SS*.THydrogen-bonded Turntrans-76.48-178.4-58.3-78.9000115.1L81L81-F83 HydrophobicContact CB-CD2 4.42Å; L81-F83 HydrophobicContact CB-CE2 3.69Å; L81-F83 HydrophobicContact CB-CZ 3.82Å; L81-F83 HydrophobicContact CD1-CE2 4.44Å; L81-F83 HydrophobicContact CD1-CZ 3.93Å; L81-F83 HydrophobicContact CG-CZ 4.38Å
84L77.4Confident78Confident183 Ų183102.7 Ų102.796%0.95855%0.554SS**THydrogen-bonded Turntrans-107.611.6-174-60.9176000113.4Y82Y82-L84 PolarHBondContact O-N 3.33Å; Y82-L84 VanDerWaalsContact O-N 3.15Å
85G69.9Low77.3Confident55 Ų55103.3 Ų103.357%0.56757%0.567SS**SBendtrans-110.2166-177.900000114.1F87G85-F87 VanDerWaalsContact C-N 3.31Å
86R71.4Confident76.7Confident247 Ų247107.2 Ų107.293%0.93259%0.591SS**SBendtrans-91.88.6165.1-65.1-174178.5-174.6-0.9113
87F79.4Confident76.3Confident154 Ų154108.3 Ų108.368%0.67559%0.591SS**SBendtrans-119.8-171.6-170.6-58.3-70.3000110.6G85 E91G85-F87 VanDerWaalsContact C-N 3.31Å; F87-E91 WeakPolarHBondContact CB-OE2 3.47Å
88S86.8Confident74.9Confident65 Ų65114.7 Ų114.746%0.45561%0.609SS.*  trans-56.2133.8176.9178.70000110.9F90 E91S88-F90 PolarHBondContact O-N 3.45Å; S88-F90 PolarHBondContact OG-N 3.37Å; S88-E91 WeakPolarHBondContact O-CB 3.43Å; S88-E91 PolarHBondContact O-N 3.03Å
89P86.6Confident73Confident55 Ų55112.6 Ų112.636%0.35762%0.62SS.*THydrogen-bonded Turntrans-58.6-16.3175.8-27.336.1000114.6L81 Y82L81-P89 CarbonylContact C-O 3.44Å; L81-P89 WeakPolarHBondContact CA-O 3.4Å; L81-P89 HydrophobicContact CD2-CB 3.79Å; Y82-P89 PolarHBondContact N-O 3.15Å
90F86.1Confident71.1Confident95 Ų95118 Ų11842%0.41764%0.637SS.*THydrogen-bonded Turntrans-92-4.1175.5-58.9-70.1000113.9P79 L81 S88P79-F90 HydrophobicContact CB-CD1 3.65Å; P79-F90 HydrophobicContact CB-CE1 4.12Å; L81-F90 HydrophobicContact CD2-CD1 3.89Å; L81-F90 HydrophobicContact CD2-CE1 3.42Å; L81-F90 VanDerWaalsContact CD2-CE1 3.42Å; L81-F90 HydrophobicContact CD2-CE2 4.41Å; L81-F90 HydrophobicContact CD2-CZ 3.73Å; L81-F90 HydrophobicContact CG-CE1 4.2Å; S88-F90 PolarHBondContact O-N 3.45Å; S88-F90 PolarHBondContact OG-N 3.37Å
91E82.8Confident68.9Low116 Ų116118 Ų11854%0.54265%0.646SS.*SBendtrans-82118.2176-171.6159.8-160.800109.8Y82 F87 S88Y82-E91 WeakPolarHBondContact CD2-O 3.27Å; F87-E91 WeakPolarHBondContact CB-OE2 3.47Å; S88-E91 WeakPolarHBondContact O-CB 3.43Å; S88-E91 PolarHBondContact O-N 3.03Å
92S70.4Confident66.5Low80 Ų80122.3 Ų122.356%0.55967%0.67SS**PPolyproline II helixtrans-63.9129177.155.30000109.9
93P66.9Low64.4Low76 Ų76123.1 Ų123.149%0.49468%0.681SS.*PPolyproline II helixtrans-57.7145.7176.624.7-34000110.2Y82Y82-P93 VanDerWaalsContact CD1-CD 3.47Å; Y82-P93 HydrophobicContact CD1-CG 3.98Å; Y82-P93 HydrophobicContact CE1-CG 4.07Å
94P68.1Low62.6Low114 Ų114123.2 Ų123.274%0.7468%0.681SS**PPolyproline II helixtrans-57.2140.8178.924.5-33.9000109.8
95P68.3Low60.6Low113 Ų113123.8 Ų123.873%0.73468%0.675SS**PPolyproline II helixtrans-52.9133.8176.3-25.534.1000110.1L97P95-L97 PolarHBondContact O-N 2.87Å; P95-L97 VanDerWaalsContact O-N 3.1Å
96P62.3Low59.2Low101 Ų101131.7 Ų131.766%0.65669%0.688SS**PPolyproline II helixtrans-59122.2179.423.8-32.9000109F98P96-F98 VanDerWaalsContact C-N 3.27Å; P96-F98 HydrophobicContact CG-CD2 4.5Å; P96-F98 HydrophobicContact CG-CE2 4.13Å; P96-F98 WeakPolarHBondContact O-CD2 3.34Å; P96-F98 PolarHBondContact O-N 3.48Å
97L55.8Low57.6Low177 Ų177126.6 Ų126.693%0.92768%0.675SS**  trans-65.292.6169.8-74.6169.3000107.7P95 G99P95-L97 PolarHBondContact O-N 2.87Å; P95-L97 VanDerWaalsContact O-N 3.1Å; L97-G99 PolarHBondContact O-N 3.16Å
98F46.6Very low55.3Low192 Ų192126.1 Ų126.184%0.84268%0.679SS**  trans-56.2107172.2-86.8-92.2000108.5P96 Q100P96-F98 VanDerWaalsContact C-N 3.27Å; P96-F98 HydrophobicContact CG-CD2 4.5Å; P96-F98 HydrophobicContact CG-CE2 4.13Å; P96-F98 WeakPolarHBondContact O-CD2 3.34Å; P96-F98 PolarHBondContact O-N 3.48Å; F98-Q100 PolarHBondContact O-N 3.45Å
99G40.6Very low52.8Low72 Ų72132 Ų13274%0.74270%0.697SS**  trans-60.7134.4-177.700000111L97 G101L97-G99 PolarHBondContact O-N 3.16Å; G99-G101 VanDerWaalsContact C-N 3.28Å; G99-G101 PolarHBondContact O-N 2.83Å
100Q42.5Very low50.3Low205 Ų205135.8 Ų135.896%0.95872%0.719SS**  trans-69.187.3170.5-71.8-173.8-68.900109.8F98 N102F98-Q100 PolarHBondContact O-N 3.45Å; Q100-N102 PolarHBondContact O-N 3.44Å; Q100-N102 VanDerWaalsContact O-N 3.15Å
101G35.4Very low47.9Very low60 Ų60138.7 Ų138.762%0.61973%0.733SS**  trans-77.990.8174.700000112.4G99G99-G101 VanDerWaalsContact C-N 3.28Å; G99-G101 PolarHBondContact O-N 2.83Å
102N35.5Very low45.4Very low150 Ų150139.7 Ų139.780%0.80274%0.742SS**  trans69156.2156.5-49.6-34.5000115.6Q100Q100-N102 PolarHBondContact O-N 3.44Å; Q100-N102 VanDerWaalsContact O-N 3.15Å
103D38Very low43.3Very low113 Ų113142.7 Ų142.760%0.60475%0.752SS**  cis-158.3145.425.8-141.1-5.3000115
104K43.3Very low41.9Very low165 Ų165144 Ų14472%0.71776%0.763SS**  trans57.4122.8150.2-73.4159.4-174.778.40124
105K36.1Very low40.1Very low194 Ų194148.4 Ų148.484%0.84377%0.771SS**  trans80.4132.2141.1-145.2166.4-173.6171.80116.4
106R39.5Very low38.3Very low221 Ų221151.8 Ų151.883%0.83478%0.777SS**  cis-146.1154.433-170178.2-174.4171.40.1112.5
107E38.1Very low36.8Very low141 Ų141157 Ų15766%0.65979%0.789SS**  trans-69.5154.6179.5-37.5101.5107.500112.7
108N31.9Very low35.6Very low143 Ų143153.7 Ų153.777%0.76578%0.781SS**  -173.4143.283.4-110.4-71000117.8
109K34.7Very low35Very low188 Ų188150.3 Ų150.382%0.81778%0.779SS**  trans83.7143.6137.9-144.4-172.4-177.7-174.40122.3
110V34.3Very low34.4Very low135 Ų135153.6 Ų153.682%0.81878%0.784SS**  trans93.3149.1166.6-1670000114.9
111E34.8Very low33.9Very low156 Ų156152.2 Ų152.273%0.72978%0.778SS**  trans-151.3153.2-138.1-174.3-167.1154.700110.9
112N29.9Very low33.7Very low137 Ų137157.3 Ų157.373%0.73379%0.79SS**  trans65.1156177-64-43000115.8
113N27.4Very low33.3Very low143 Ų143155.2 Ų155.277%0.76579%0.787SS**  cis-136.11663.9-161.13.7000111.4
114S36.4Very low32.7Very low104 Ų104155.5 Ų155.573%0.72780%0.797SS**  trans-74.7150.1179.3590000113.9
115K31.5Very low32Very low207 Ų207154.6 Ų154.690%0.980%0.8SS**  trans-156.8134.1140.5-152.1161.3-169.4168.80111.1
116E29.9Very low32.1Very low184 Ų184150.6 Ų150.686%0.8679%0.794SS**  trans-66.7149175.9-64.7157.196.600112
117K31.2Very low32Very low209 Ų209143.4 Ų143.491%0.90978%0.777SS**  trans-147.4141.5147.9-108.9168.6-175.1-178.30109.2
118S29.5Very low32Very low109 Ų109143 Ų14376%0.76279%0.787SS**PPolyproline II helixtrans-74.4170-171.2560000112.1T120S118-T120 PolarHBondContact O-N 3.41Å
119P33.9Very low32.4Very low121 Ų121144.6 Ų144.679%0.78678%0.782SS**PPolyproline II helixtrans-72.5131.8-154.928.1-33.9000113.1Q121P119-Q121 PolarHBondContact O-N 3.09Å
120T29.4Very low32.8Very low140 Ų140145.6 Ų145.686%0.85978%0.781SS**PPolyproline II helixtrans-54.5130.3163.8-54.80000109.1S118S118-T120 PolarHBondContact O-N 3.41Å
121Q30.7Very low32.9Very low177 Ų177145.5 Ų145.583%0.82778%0.783SS**PPolyproline II helixtrans-52.6148.2-175.5-65.8175.1-12.300112.4P119 S123P119-Q121 PolarHBondContact O-N 3.09Å; Q121-S123 PolarHBondContact O-N 2.9Å
122L31.8Very low33.7Very low167 Ų167147.7 Ų147.787%0.87479%0.785SS**  trans-58.899.8170.1-70.2170.2000109.2C124L122-C124 VanDerWaalsContact C-N 3.34Å; L122-C124 PolarHBondContact O-N 3.31Å
123S27.6Very low34.9Very low106 Ų106151.4 Ų151.474%0.74179%0.788SS**  trans-61.997.7172.3-176.70000108.2Q121 N125Q121-S123 PolarHBondContact O-N 2.9Å; S123-N125 PolarHBondContact O-N 3.46Å
124C25.8Very low36.4Very low119 Ų119152.9 Ų152.980%0.80479%0.788SS**  trans-59.5100.1177.2-68.30000107.8L122 P126L122-C124 VanDerWaalsContact C-N 3.34Å; L122-C124 PolarHBondContact O-N 3.31Å; C124-P126 VanDerWaalsContact O-CD 3.29Å; C124-P126 WeakPolarHBondContact O-CD 3.39Å; C124-P126 VanDerWaalsContact O-N 3.09Å
125N28.7Very low37.9Very low146 Ų146151.2 Ų151.278%0.78177%0.771SS**  trans-66.5111.8-161-161.3-7.6000108.9S123 S127S123-N125 PolarHBondContact O-N 3.46Å; N125-S127 PolarHBondContact O-N 3.34Å
126P36.6Very low40.4Very low110 Ų110144.3 Ų144.371%0.71475%0.752SS**  trans-64.3111.3-171.124.8-33000109C124C124-P126 VanDerWaalsContact O-CD 3.29Å; C124-P126 WeakPolarHBondContact O-CD 3.39Å; C124-P126 VanDerWaalsContact O-N 3.09Å
127S37.7Very low43.4Very low70 Ų70138.5 Ų138.549%0.4973%0.732SS.*  trans-53.2147.8-167.4-170.90000112.4N125 W129N125-S127 PolarHBondContact O-N 3.34Å; S127-W129 PolarHBondContact O-N 2.82Å; S127-W129 PolarHBondContact OG-NE1 3.25Å
128P39.4Very low46.5Very low133 Ų133132.6 Ų132.686%0.86471%0.705SS**SBendtrans-60-0.2-173.8-26.235.9000116.9R130P128-R130 PolarHBondContact O-N 2.87Å
129W39.4Very low49.6Very low175 Ų175128 Ų12866%0.66367%0.672SS**SBendtrans-60.598.8166.3-54.7112.5000110.2S127S127-W129 PolarHBondContact O-N 2.82Å; S127-W129 PolarHBondContact OG-NE1 3.25Å
130R42.1Very low52.6Low209 Ų209129.1 Ų129.179%0.78967%0.667SS**  trans29.8119.7154-67.5-75.9-154.8-79.4-10.2115P128 R132P128-R130 PolarHBondContact O-N 2.87Å; R130-R132 PolarHBondContact O-N 2.86Å
131P38.3Very low55.7Low134 Ų134124.7 Ų124.787%0.8764%0.641SS**  trans-44.7110.8169.1-26.834.1000109.7R133P131-R133 PolarHBondContact O-N 3.48Å
132R50.4Low58.7Low202 Ų202117.6 Ų117.676%0.76261%0.611SS**  trans-56.3141.1179.3-71.4-158.9-176.6-162.73.9106.3R130 D135R130-R132 PolarHBondContact O-N 2.86Å; R132-D135 WeakPolarHBondContact CD-OD2 3.41Å; R132-D135 IonicContact NH1-OD2 2.65Å; R132-D135 PolarHBondContact NH1-OD2 3.44Å; R132-D135 VanDerWaalsContact NH1-OD2 3.13Å
133R54.6Low61.7Low215 Ų215118.9 Ų118.981%0.81160%0.604SS**  trans-58.5154.1165.7-61.4-178.5-178.5-166.40.3105.7P131 D135P131-R133 PolarHBondContact O-N 3.48Å; R133-D135 PolarHBondContact O-N 2.92Å
134K59.6Low64.9Low174 Ų174119.4 Ų119.476%0.75760%0.595SS**  trans-65.597175.1-170.2179.3179-171.60106.3A136 A147K134-A136 PolarHBondContact O-N 3.4Å; K134-A147 WeakPolarHBondContact CE-O 3.09Å; K134-A147 PolarHBondContact NZ-O 3.27Å
135D67.7Low68.2Low68 Ų68118.1 Ų118.136%0.36458%0.584SS.*  trans-61122.1-159.2-73-27.7000108.6R132 R133 S137R132-D135 WeakPolarHBondContact CD-OD2 3.41Å; R132-D135 IonicContact NH1-OD2 2.65Å; R132-D135 PolarHBondContact NH1-OD2 3.44Å; R132-D135 VanDerWaalsContact NH1-OD2 3.13Å; R133-D135 PolarHBondContact O-N 2.92Å; D135-S137 PolarHBondContact O-N 3.27Å
136A84.8Confident71.3Confident62 Ų62112.5 Ų112.551%0.51255%0.552SS.*  trans-75.695.4-178.700000108.7K134 F146K134-A136 PolarHBondContact O-N 3.4Å; A136-F146 CarbonylContact C-O 3.56Å; A136-F146 WeakPolarHBondContact CA-O 3.45Å
137S91.6Very high74Confident63 Ų63110.5 Ų110.544%0.44155%0.545SS..EExtended strand (participates in β ladder)trans-53.8161.9171.8-67.10000111.6D135 T145 F146D135-S137 PolarHBondContact O-N 3.27Å; S137-T145 CarbonylContact O-C 3.56Å; S137-T145 WeakPolarHBondContact O-CA 3.47Å; S137-F146 VanDerWaalsContact CB-CZ 3.4Å; S137-F146 PolarHBondContact N-O 2.9Å; S137-F146 PolarHBondContact O-N 2.99Å
138Y96Very high76.6Confident84 Ų84110.5 Ų110.533%0.32954%0.54SS..EExtended strand (participates in β ladder)trans-129.7135.9-174.7-173.6-109.3000109.9R27 E140 R143 E144 T145R27-Y138 VanDerWaalsContact NH2-CB 3.27Å; Y138-E140 HydrophobicContact CD1-CG 4.01Å; Y138-E140 HydrophobicContact CE1-CG 4.18Å; Y138-R143 WeakPolarHBondContact CE2-O 3.31Å; Y138-R143 VanDerWaalsContact OH-C 3.31Å; Y138-R143 VanDerWaalsContact OH-CA 3.25Å; Y138-R143 WeakPolarHBondContact OH-CA 3.46Å; Y138-R143 WeakPolarHBondContact OH-CB 3.19Å; Y138-R143 PolarHBondContact OH-O 2.8Å; Y138-E144 WeakPolarHBondContact CA-O 3.21Å; Y138-E144 VanDerWaalsContact CD2-O 3.31Å; Y138-E144 WeakPolarHBondContact CD2-O 3.34Å; Y138-T145 HydrophobicContact CD2-CG2 3.79Å
139C96.1Very high79.2Confident12 Ų12108.9 Ų108.98%0.08152%0.523CS..EExtended strand (participates in β ladder)trans-100.3127.3170.8-178.70000109.2C142 R143 E144 F146 H152C139-C142 HydrophobicContact CB-CB 4.23Å; C139-R143 WeakPolarHBondContact O-CA 3.48Å; C139-R143 PolarHBondContact O-N 2.97Å; C139-E144 PolarHBondContact N-O 3.39Å; C139-E144 PolarHBondContact O-N 3.5Å; C139-F146 HydrophobicContact CB-CD1 4.15Å; C139-F146 HydrophobicContact CB-CE1 3.88Å; C139-H152 WeakPolarHBondContact CB-NE2 3.34Å; C139-H152 PolarHBondContact SG-NE2 3.04Å; C139-H152 VanDerWaalsContact SG-NE2 3.38Å
140E95.7Very high81.9Confident145 Ų145105.6 Ų105.668%0.67852%0.515SS*.THydrogen-bonded Turntrans-80.6-26.5-178.6-55.6-165.8159.900112.1Y138 R143Y138-E140 HydrophobicContact CD1-CG 4.01Å; Y138-E140 HydrophobicContact CE1-CG 4.18Å; E140-R143 VanDerWaalsContact O-CG 3.23Å; E140-R143 WeakPolarHBondContact O-CG 3.24Å
141C95Very high84.4Confident47 Ų47102 Ų10232%0.31851%0.507SS..THydrogen-bonded Turntrans-63.7-60.4171.4-46.10000111.2R143 F161C141-R143 VanDerWaalsContact C-N 3.3Å; C141-R143 PolarHBondContact O-N 3.49Å; C141-F161 HydrophobicContact CB-CD1 3.59Å; C141-F161 HydrophobicContact CB-CD2 3.86Å; C141-F161 HydrophobicContact CB-CE1 3.53Å; C141-F161 HydrophobicContact CB-CE2 3.8Å; C141-F161 HydrophobicContact CB-CG 3.76Å; C141-F161 HydrophobicContact CB-CZ 3.63Å
142C94.4Very high87.2Confident28 Ų2896.3 Ų96.319%0.18947%0.469CS..THydrogen-bonded Turntrans-75.8-19.7-179.7-53.40000113C139 E144 H158C139-C142 HydrophobicContact CB-CB 4.23Å; C142-E144 VanDerWaalsContact C-N 3.25Å; C142-E144 HydrophobicContact CB-CB 4.47Å; C142-E144 PolarHBondContact O-N 3.32Å; C142-H158 WeakPolarHBondContact SG-CA 3.09Å
143R94.4Very high89.4Confident194 Ų19490.1 Ų90.173%0.73245%0.45SS*.THydrogen-bonded Turntrans61.427.7-173.9-57.7-179.3-178.51741.7114.3Y138 C139 E140 C141Y138-R143 WeakPolarHBondContact CE2-O 3.31Å; Y138-R143 VanDerWaalsContact OH-C 3.31Å; Y138-R143 VanDerWaalsContact OH-CA 3.25Å; Y138-R143 WeakPolarHBondContact OH-CA 3.46Å; Y138-R143 WeakPolarHBondContact OH-CB 3.19Å; Y138-R143 PolarHBondContact OH-O 2.8Å; C139-R143 WeakPolarHBondContact O-CA 3.48Å; C139-R143 PolarHBondContact O-N 2.97Å; E140-R143 VanDerWaalsContact O-CG 3.23Å; E140-R143 WeakPolarHBondContact O-CG 3.24Å; C141-R143 VanDerWaalsContact C-N 3.3Å; C141-R143 PolarHBondContact O-N 3.49Å
144E93.9Very high91.3Very high118 Ų11885.4 Ų85.455%0.55144%0.438SS*.EExtended strand (participates in β ladder)trans-120.9154.3-175.7-68.2-165.1142.800113.6Y138 C139 C142Y138-E144 WeakPolarHBondContact CA-O 3.21Å; Y138-E144 VanDerWaalsContact CD2-O 3.31Å; Y138-E144 WeakPolarHBondContact CD2-O 3.34Å; C139-E144 PolarHBondContact N-O 3.39Å; C139-E144 PolarHBondContact O-N 3.5Å; C142-E144 VanDerWaalsContact C-N 3.25Å; C142-E144 HydrophobicContact CB-CB 4.47Å; C142-E144 PolarHBondContact O-N 3.32Å
145T95.8Very high93.1Very high92 Ų9278.8 Ų78.856%0.56441%0.413SS*.EExtended strand (participates in β ladder)trans-91.8130.4174.553.40000111.9S137 Y138S137-T145 CarbonylContact O-C 3.56Å; S137-T145 WeakPolarHBondContact O-CA 3.47Å; Y138-T145 HydrophobicContact CD2-CG2 3.79Å
146F93.9Very high94.5Very high28 Ų2882.1 Ų82.112%0.12343%0.431CS..EExtended strand (participates in β ladder)trans-123.7153.5179.961.2-96.9000112.5A136 S137 C139 N148 L149 H152A136-F146 CarbonylContact C-O 3.56Å; A136-F146 WeakPolarHBondContact CA-O 3.45Å; S137-F146 VanDerWaalsContact CB-CZ 3.4Å; S137-F146 PolarHBondContact N-O 2.9Å; S137-F146 PolarHBondContact O-N 2.99Å; C139-F146 HydrophobicContact CB-CD1 4.15Å; C139-F146 HydrophobicContact CB-CE1 3.88Å; F146-N148 VanDerWaalsContact CD2-O 3.27Å; F146-N148 WeakPolarHBondContact CD2-O 3.48Å; F146-L149 HydrophobicContact CE2-CB 3.91Å; F146-L149 HydrophobicContact CE2-CD1 3.79Å; F146-L149 HydrophobicContact CE2-CG 4.48Å; F146-L149 HydrophobicContact CZ-CD1 3.64Å; F146-H152 HydrophobicContact CB-CB 3.74Å; F146-H152 HydrophobicContact CD1-CB 3.97Å; F146-H152 AromaticContact CD1-CD2 3.71Å; F146-H152 AromaticContact CD1-CG 3.53Å; F146-H152 AromaticContact CD1-ND1 3.9Å; F146-H152 HydrophobicContact CD2-CB 3.97Å; F146-H152 AromaticContact CE1-CD2 3.88Å; F146-H152 HydrophobicContact CG-CB 3.64Å; F146-H152 AromaticContact CG-CG 3.71Å
147A93.7Very high95Very high67 Ų6781.5 Ų81.555%0.55443%0.426SS*.SBendtrans-102.8-4.8-178.900000114.2K134K134-A147 WeakPolarHBondContact CE-O 3.09Å; K134-A147 PolarHBondContact NZ-O 3.27Å
148N92.3Very high95.3Very high71 Ų7179.6 Ų79.638%0.3841%0.41SS..  trans-152.3127.2-179.4179.711.1000108.1F146 E150 E151 H152F146-N148 VanDerWaalsContact CD2-O 3.27Å; F146-N148 WeakPolarHBondContact CD2-O 3.48Å; N148-E150 PolarHBondContact OD1-N 2.85Å; N148-E151 HydrophobicContact CB-CB 3.99Å; N148-E151 WeakPolarHBondContact CB-OE2 3.49Å; N148-E151 WeakPolarHBondContact ND2-CB 3.44Å; N148-E151 PolarHBondContact ND2-OE2 3.49Å; N148-E151 VanDerWaalsContact ND2-OE2 3.16Å; N148-H152 WeakPolarHBondContact O-CB 3.35Å; N148-H152 PolarHBondContact O-N 3.3Å
149L94.3Very high95.4Very high99 Ų9982 Ų8252%0.51842%0.419SS..Hα-helixtrans-69.4-47.2-176.3178.162000111.4F146 E151 H152 L153F146-L149 HydrophobicContact CE2-CB 3.91Å; F146-L149 HydrophobicContact CE2-CD1 3.79Å; F146-L149 HydrophobicContact CE2-CG 4.48Å; F146-L149 HydrophobicContact CZ-CD1 3.64Å; L149-E151 PolarHBondContact O-N 3.43Å; L149-H152 WeakPolarHBondContact O-CA 3.25Å; L149-H152 WeakPolarHBondContact O-CB 3.34Å; L149-H152 PolarHBondContact O-N 2.87Å; L149-L153 HydrophobicContact CD1-CD1 4.11Å; L149-L153 HydrophobicContact CD1-CD2 4.25Å; L149-L153 HydrophobicContact CD1-CG 3.98Å; L149-L153 HydrophobicContact CG-CD1 3.96Å; L149-L153 HydrophobicContact CG-CG 4.22Å; L149-L153 WeakPolarHBondContact O-CG 3.37Å; L149-L153 PolarHBondContact O-N 3.3Å
150E95Very high95.4Very high106 Ų10685.1 Ų85.150%0.49544%0.44SS..Hα-helixtrans-61.9-46.7-174.7-171.657.1-146.300111.8N148 H152 L153 Q154N148-E150 PolarHBondContact OD1-N 2.85Å; E150-H152 PolarHBondContact O-N 3.46Å; E150-L153 PolarHBondContact O-N 2.93Å; E150-Q154 WeakPolarHBondContact O-CB 3.47Å; E150-Q154 VanDerWaalsContact O-CG 3.31Å; E150-Q154 WeakPolarHBondContact O-CG 3.39Å; E150-Q154 PolarHBondContact O-N 3.14Å; E150-Q154 PolarHBondContact OE1-NE2 2.91Å
151E95.5Very high95.4Very high134 Ų13480.5 Ų80.563%0.62642%0.418SS*.Hα-helixtrans-61.2-31.7174.5-177.3-177.9168.800112.7N148 L149 S155N148-E151 HydrophobicContact CB-CB 3.99Å; N148-E151 WeakPolarHBondContact CB-OE2 3.49Å; N148-E151 WeakPolarHBondContact ND2-CB 3.44Å; N148-E151 PolarHBondContact ND2-OE2 3.49Å; N148-E151 VanDerWaalsContact ND2-OE2 3.16Å; L149-E151 PolarHBondContact O-N 3.43Å; E151-S155 PolarHBondContact O-N 3.4Å
152H96.3Very high95.5Very high14 Ų1481.5 Ų81.57%0.06542%0.423CS..Hα-helixtrans-74.8-45.3174.9-178.970.6000112.4C139 F146 N148 L149 E150 Q154 S155 H158C139-H152 WeakPolarHBondContact CB-NE2 3.34Å; C139-H152 PolarHBondContact SG-NE2 3.04Å; C139-H152 VanDerWaalsContact SG-NE2 3.38Å; F146-H152 HydrophobicContact CB-CB 3.74Å; F146-H152 HydrophobicContact CD1-CB 3.97Å; F146-H152 AromaticContact CD1-CD2 3.71Å; F146-H152 AromaticContact CD1-CG 3.53Å; F146-H152 AromaticContact CD1-ND1 3.9Å; F146-H152 HydrophobicContact CD2-CB 3.97Å; F146-H152 AromaticContact CE1-CD2 3.88Å; F146-H152 HydrophobicContact CG-CB 3.64Å; F146-H152 AromaticContact CG-CG 3.71Å; N148-H152 WeakPolarHBondContact O-CB 3.35Å; N148-H152 PolarHBondContact O-N 3.3Å; L149-H152 WeakPolarHBondContact O-CA 3.25Å; L149-H152 WeakPolarHBondContact O-CB 3.34Å; L149-H152 PolarHBondContact O-N 2.87Å; E150-H152 PolarHBondContact O-N 3.46Å; H152-Q154 VanDerWaalsContact C-N 3.25Å; H152-Q154 PolarHBondContact O-N 2.85Å; H152-S155 VanDerWaalsContact O-CB 3.26Å; H152-S155 WeakPolarHBondContact O-CB 3.48Å; H152-S155 PolarHBondContact O-N 3.38Å; H152-S155 PolarHBondContact O-OG 2.73Å; H152-H158 AromaticContact CD2-ND1 3.72Å; H152-H158 AromaticContact NE2-CG 3.9Å; H152-H158 AromaticContact NE2-ND1 3.27Å; H152-H158 PolarHBondContact NE2-ND1 3.25Å; H152-H158 VanDerWaalsContact O-CB 3.24Å; H152-H158 WeakPolarHBondContact O-CB 3.42Å
153L96.3Very high95.6Very high71 Ų7186.6 Ų86.637%0.37245%0.447SS..Hα-helixtrans-61.9-35.8176.9-64.8177.7000111.6L149 E150 S155 H158L149-L153 HydrophobicContact CD1-CD1 4.11Å; L149-L153 HydrophobicContact CD1-CD2 4.25Å; L149-L153 HydrophobicContact CD1-CG 3.98Å; L149-L153 HydrophobicContact CG-CD1 3.96Å; L149-L153 HydrophobicContact CG-CG 4.22Å; L149-L153 WeakPolarHBondContact O-CG 3.37Å; L149-L153 PolarHBondContact O-N 3.3Å; E150-L153 PolarHBondContact O-N 2.93Å; L153-S155 VanDerWaalsContact C-N 3.29Å; L153-S155 PolarHBondContact O-N 3.37Å; L153-H158 WeakPolarHBondContact CD2-NE2 3.12Å
154Q96.3Very high95.7Very high116 Ų11680.7 Ų80.754%0.54243%0.43SS..THydrogen-bonded Turntrans-76.2-11.2174.7-66.8-177.618.900114.1E150 H152 R159E150-Q154 WeakPolarHBondContact O-CB 3.47Å; E150-Q154 VanDerWaalsContact O-CG 3.31Å; E150-Q154 WeakPolarHBondContact O-CG 3.39Å; E150-Q154 PolarHBondContact O-N 3.14Å; E150-Q154 PolarHBondContact OE1-NE2 2.91Å; H152-Q154 VanDerWaalsContact C-N 3.25Å; H152-Q154 PolarHBondContact O-N 2.85Å; Q154-R159 WeakPolarHBondContact O-CD 3.39Å
155S96.9Very high95.7Very high35 Ų3581.2 Ų81.225%0.24544%0.437CS..SBendtrans-70.7143.5-177.475.60000112.9E151 H152 L153 A157 H158 R159E151-S155 PolarHBondContact O-N 3.4Å; H152-S155 VanDerWaalsContact O-CB 3.26Å; H152-S155 WeakPolarHBondContact O-CB 3.48Å; H152-S155 PolarHBondContact O-N 3.38Å; H152-S155 PolarHBondContact O-OG 2.73Å; L153-S155 VanDerWaalsContact C-N 3.29Å; L153-S155 PolarHBondContact O-N 3.37Å; S155-A157 PolarHBondContact O-N 3.27Å; S155-A157 VanDerWaalsContact O-N 3.13Å; S155-H158 PolarHBondContact O-N 3.48Å; S155-H158 VanDerWaalsContact O-N 3.07Å; S155-R159 WeakPolarHBondContact O-CG 3.5Å; S155-R159 PolarHBondContact O-N 3.13Å
156D96.5Very high95.8Very high139 Ų13980.6 Ų80.674%0.74344%0.436SS*.Hα-helixtrans-55.6-34.5-178-63.5-41.5000112.9S160D156-S160 VanDerWaalsContact O-CB 3.32Å; D156-S160 WeakPolarHBondContact O-CB 3.1Å; D156-S160 PolarHBondContact O-N 3.44Å; D156-S160 PolarHBondContact O-OG 3.4Å
157A95.6Very high95.8Very high48 Ų4882 Ų8240%0.39745%0.445SS..Hα-helixtrans-64.6-46.3177.500000112.3S155 S160 F161S155-A157 PolarHBondContact O-N 3.27Å; S155-A157 VanDerWaalsContact O-N 3.13Å; A157-S160 PolarHBondContact O-N 2.94Å; A157-S160 PolarHBondContact O-OG 3.29Å; A157-F161 PolarHBondContact O-N 3.33Å
158H97.5Very high96Very high23 Ų2382.5 Ų82.511%0.10643%0.433CS..Hα-helixtrans-68.3-43.6177-165.186.9000110.9C142 H152 L153 S155 S160 F161 V162C142-H158 WeakPolarHBondContact SG-CA 3.09Å; H152-H158 AromaticContact CD2-ND1 3.72Å; H152-H158 AromaticContact NE2-CG 3.9Å; H152-H158 AromaticContact NE2-ND1 3.27Å; H152-H158 PolarHBondContact NE2-ND1 3.25Å; H152-H158 VanDerWaalsContact O-CB 3.24Å; H152-H158 WeakPolarHBondContact O-CB 3.42Å; L153-H158 WeakPolarHBondContact CD2-NE2 3.12Å; S155-H158 PolarHBondContact O-N 3.48Å; S155-H158 VanDerWaalsContact O-N 3.07Å; H158-S160 VanDerWaalsContact C-N 3.32Å; H158-S160 PolarHBondContact O-N 3.07Å; H158-F161 WeakPolarHBondContact O-CB 3.41Å; H158-F161 PolarHBondContact O-N 2.76Å; H158-F161 VanDerWaalsContact O-N 3.15Å; H158-V162 WeakPolarHBondContact O-CG2 3.41Å; H158-V162 PolarHBondContact O-N 3.01Å
159R97.4Very high96.2Very high136 Ų13684.4 Ų84.451%0.51344%0.44SS..Hα-helixtrans-60.3-38.6176.3-65.9177.866.8123.29.9112.5Q154 S155 F161 V162 L163Q154-R159 WeakPolarHBondContact O-CD 3.39Å; S155-R159 WeakPolarHBondContact O-CG 3.5Å; S155-R159 PolarHBondContact O-N 3.13Å; R159-F161 VanDerWaalsContact C-N 3.3Å; R159-F161 PolarHBondContact O-N 2.69Å; R159-V162 PolarHBondContact O-N 3.46Å; R159-L163 WeakPolarHBondContact O-CB 3.07Å; R159-L163 WeakPolarHBondContact O-CD1 3.39Å; R159-L163 VanDerWaalsContact O-CG 3.23Å; R159-L163 WeakPolarHBondContact O-CG 3.5Å; R159-L163 PolarHBondContact O-N 2.93Å
160S96.4Very high96.3Very high76 Ų7683.4 Ų83.453%0.53144%0.441SS..Hα-helixtrans-68.2-27.9177.463.40000113.6D156 A157 H158D156-S160 VanDerWaalsContact O-CB 3.32Å; D156-S160 WeakPolarHBondContact O-CB 3.1Å; D156-S160 PolarHBondContact O-N 3.44Å; D156-S160 PolarHBondContact O-OG 3.4Å; A157-S160 PolarHBondContact O-N 2.94Å; A157-S160 PolarHBondContact O-OG 3.29Å; H158-S160 VanDerWaalsContact C-N 3.32Å; H158-S160 PolarHBondContact O-N 3.07Å
161F97.1Very high96.4Very high49 Ų4982 Ų8222%0.21544%0.44CS..Hα-helixtrans-75.2-45.4173.1-176.7-78.3000111C141 A157 H158 R159 L163 D164 N167 Y168C141-F161 HydrophobicContact CB-CD1 3.59Å; C141-F161 HydrophobicContact CB-CD2 3.86Å; C141-F161 HydrophobicContact CB-CE1 3.53Å; C141-F161 HydrophobicContact CB-CE2 3.8Å; C141-F161 HydrophobicContact CB-CG 3.76Å; C141-F161 HydrophobicContact CB-CZ 3.63Å; A157-F161 PolarHBondContact O-N 3.33Å; H158-F161 WeakPolarHBondContact O-CB 3.41Å; H158-F161 PolarHBondContact O-N 2.76Å; H158-F161 VanDerWaalsContact O-N 3.15Å; R159-F161 VanDerWaalsContact C-N 3.3Å; R159-F161 PolarHBondContact O-N 2.69Å; F161-L163 VanDerWaalsContact C-N 3.25Å; F161-L163 PolarHBondContact O-N 3.48Å; F161-D164 PolarHBondContact O-N 2.92Å; F161-N167 HydrophobicContact CD1-CB 4.26Å; F161-N167 HydrophobicContact CE1-CB 3.71Å; F161-N167 HydrophobicContact CE2-CB 4Å; F161-N167 VanDerWaalsContact CE2-OD1 3.31Å; F161-N167 WeakPolarHBondContact CE2-OD1 3.48Å; F161-N167 HydrophobicContact CZ-CB 3.58Å; F161-N167 PolarHBondContact O-ND2 3.37Å; F161-Y168 HydrophobicContact CD1-CE2 4.16Å; F161-Y168 HydrophobicContact CE1-CE2 4.06Å; F161-Y168 AromaticContact CE1-CZ 3.94Å
162V96.3Very high96.4Very high68 Ų6879.8 Ų79.841%0.41243%0.432SS..Hα-helixtrans-65.5-26.8-179.8173.70000112.7H158 R159H158-V162 WeakPolarHBondContact O-CG2 3.41Å; H158-V162 PolarHBondContact O-N 3.01Å; R159-V162 PolarHBondContact O-N 3.46Å
163L96.1Very high96.4Very high134 Ų13484.7 Ų84.770%0.70246%0.455SS*.THydrogen-bonded Turntrans-91.97.7178.4-68170.6000114.2R159 F161R159-L163 WeakPolarHBondContact O-CB 3.07Å; R159-L163 WeakPolarHBondContact O-CD1 3.39Å; R159-L163 VanDerWaalsContact O-CG 3.23Å; R159-L163 WeakPolarHBondContact O-CG 3.5Å; R159-L163 PolarHBondContact O-N 2.93Å; F161-L163 VanDerWaalsContact C-N 3.25Å; F161-L163 PolarHBondContact O-N 3.48Å
164D96.3Very high96.4Very high70 Ų7086.2 Ų86.237%0.37446%0.462SS..  trans-114.795.9176.8169.116000109.1F161 S166 N167F161-D164 PolarHBondContact O-N 2.92Å; D164-S166 PolarHBondContact O-N 3.2Å; D164-S166 WeakPolarHBondContact OD1-CB 3.47Å; D164-S166 PolarHBondContact OD1-N 2.86Å; D164-S166 PolarHBondContact OD1-OG 3.5Å; D164-S166 PolarHBondContact OD2-OG 2.97Å; D164-N167 VanDerWaalsContact CB-ND2 3.29Å; D164-N167 WeakPolarHBondContact CB-ND2 3.48Å; D164-N167 WeakPolarHBondContact O-CB 3.18Å; D164-N167 PolarHBondContact O-N 2.91Å; D164-N167 PolarHBondContact O-ND2 3.07Å; D164-N167 PolarHBondContact OD2-ND2 3Å
165D95.2Very high96.3Very high130 Ų13084.8 Ų84.870%0.69546%0.461SS*.G310 helixtrans-49.5-28.9-178.3-50.2-27.1000112.9N167 Y168 E169D165-N167 PolarHBondContact O-N 3.39Å; D165-Y168 CarbonylContact O-C 3.49Å; D165-Y168 WeakPolarHBondContact O-CA 3.27Å; D165-Y168 PolarHBondContact O-N 3.39Å; D165-E169 PolarHBondContact O-N 3.31Å
166S96.2Very high96.1Very high78 Ų7887.3 Ų87.355%0.54549%0.485SS..G310 helixtrans-66.4-18.9-179.974.90000113.8D164 Y168D164-S166 PolarHBondContact O-N 3.2Å; D164-S166 WeakPolarHBondContact OD1-CB 3.47Å; D164-S166 PolarHBondContact OD1-N 2.86Å; D164-S166 PolarHBondContact OD1-OG 3.5Å; D164-S166 PolarHBondContact OD2-OG 2.97Å; S166-Y168 VanDerWaalsContact C-N 3.29Å
167N95.4Very high95.9Very high59 Ų5984.7 Ų84.732%0.31648%0.482SS..G310 helixtrans-75.8-18.3171-61.3-73.1000113F161 D164 D165F161-N167 HydrophobicContact CD1-CB 4.26Å; F161-N167 HydrophobicContact CE1-CB 3.71Å; F161-N167 HydrophobicContact CE2-CB 4Å; F161-N167 VanDerWaalsContact CE2-OD1 3.31Å; F161-N167 WeakPolarHBondContact CE2-OD1 3.48Å; F161-N167 HydrophobicContact CZ-CB 3.58Å; F161-N167 PolarHBondContact O-ND2 3.37Å; D164-N167 VanDerWaalsContact CB-ND2 3.29Å; D164-N167 WeakPolarHBondContact CB-ND2 3.48Å; D164-N167 WeakPolarHBondContact O-CB 3.18Å; D164-N167 PolarHBondContact O-N 2.91Å; D164-N167 PolarHBondContact O-ND2 3.07Å; D164-N167 PolarHBondContact OD2-ND2 3Å; D165-N167 PolarHBondContact O-N 3.39Å
168Y97.1Very high95.8Very high76 Ų7688.3 Ų88.330%0.29849%0.492SS..THydrogen-bonded Turntrans-110.8-11.4-176.1-63.5-87.3000113.4F161 D165 S166 S170 V171 D172F161-Y168 HydrophobicContact CD1-CE2 4.16Å; F161-Y168 HydrophobicContact CE1-CE2 4.06Å; F161-Y168 AromaticContact CE1-CZ 3.94Å; D165-Y168 CarbonylContact O-C 3.49Å; D165-Y168 WeakPolarHBondContact O-CA 3.27Å; D165-Y168 PolarHBondContact O-N 3.39Å; S166-Y168 VanDerWaalsContact C-N 3.29Å; Y168-S170 PolarHBondContact O-N 2.86Å; Y168-V171 WeakPolarHBondContact O-CA 3.26Å; Y168-V171 WeakPolarHBondContact O-CB 3.31Å; Y168-V171 PolarHBondContact O-N 2.87Å; Y168-D172 PolarHBondContact O-N 3.25Å
169E97Very high95.1Very high111 Ų11195.2 Ų95.252%0.51953%0.529SS..Hα-helixtrans-45.2-42.5-179.1-163.9-161.2156.400113.7D165 V171 D172 Q173D165-E169 PolarHBondContact O-N 3.31Å; E169-V171 VanDerWaalsContact C-N 3.33Å; E169-V171 PolarHBondContact O-N 3.36Å; E169-D172 PolarHBondContact O-N 3.03Å; E169-Q173 WeakPolarHBondContact O-CB 3.43Å; E169-Q173 VanDerWaalsContact O-CG 3.24Å; E169-Q173 WeakPolarHBondContact O-CG 3.3Å; E169-Q173 PolarHBondContact O-N 3.01Å; E169-Q173 PolarHBondContact OE1-NE2 2.66Å
170S96.1Very high94.4Very high78 Ų7894.2 Ų94.255%0.54554%0.54SS..Hα-helixtrans-68.7-26.3178.162.60000114.7Y168 I174Y168-S170 PolarHBondContact O-N 2.86Å; S170-I174 WeakPolarHBondContact O-CD1 3.46Å; S170-I174 WeakPolarHBondContact O-CG1 3.45Å
171V96.4Very high93.6Very high78 Ų7894 Ų9447%0.47355%0.55SS.*Hα-helixtrans-78.2-43.4170.5-176.60000109.6Y168 E169 Q173 I174 V175Y168-V171 WeakPolarHBondContact O-CA 3.26Å; Y168-V171 WeakPolarHBondContact O-CB 3.31Å; Y168-V171 PolarHBondContact O-N 2.87Å; E169-V171 VanDerWaalsContact C-N 3.33Å; E169-V171 PolarHBondContact O-N 3.36Å; V171-Q173 VanDerWaalsContact C-N 3.33Å; V171-Q173 PolarHBondContact O-N 2.96Å; V171-I174 WeakPolarHBondContact O-CA 3.44Å; V171-I174 WeakPolarHBondContact O-CB 3.41Å; V171-I174 PolarHBondContact O-N 2.71Å; V171-V175 HydrophobicContact CG1-CG2 4.31Å; V171-V175 WeakPolarHBondContact O-CG2 3.49Å; V171-V175 PolarHBondContact O-N 3.32Å
172D95.9Very high92.7Very high86 Ų86100.6 Ų100.646%0.4658%0.579SS.*Hα-helixtrans-63.6-38.1179.7-61.8-36.9000112.1Y168 E169 I174 V175 A176Y168-D172 PolarHBondContact O-N 3.25Å; E169-D172 PolarHBondContact O-N 3.03Å; D172-I174 VanDerWaalsContact C-N 3.29Å; D172-I174 PolarHBondContact O-N 2.82Å; D172-V175 PolarHBondContact O-N 3.39Å; D172-A176 VanDerWaalsContact O-CB 3.23Å; D172-A176 WeakPolarHBondContact O-CB 3.48Å; D172-A176 PolarHBondContact O-N 2.9Å
173Q96.5Very high91.6Very high117 Ų117102.6 Ų102.655%0.54759%0.588SS.*Hα-helixtrans-59.9-36.9171.3-74.817422.200112.4E169 V171 A177E169-Q173 WeakPolarHBondContact O-CB 3.43Å; E169-Q173 VanDerWaalsContact O-CG 3.24Å; E169-Q173 WeakPolarHBondContact O-CG 3.3Å; E169-Q173 PolarHBondContact O-N 3.01Å; E169-Q173 PolarHBondContact OE1-NE2 2.66Å; V171-Q173 VanDerWaalsContact C-N 3.33Å; V171-Q173 PolarHBondContact O-N 2.96Å; Q173-A177 PolarHBondContact O-N 3.28Å
174I96.4Very high90.3Very high103 Ų103101.7 Ų101.753%0.52859%0.589SS.*Hα-helixtrans-73.3-44.2176.7-68.6167.9000110.4S170 V171 D172 A176 A177 M178S170-I174 WeakPolarHBondContact O-CD1 3.46Å; S170-I174 WeakPolarHBondContact O-CG1 3.45Å; V171-I174 WeakPolarHBondContact O-CA 3.44Å; V171-I174 WeakPolarHBondContact O-CB 3.41Å; V171-I174 PolarHBondContact O-N 2.71Å; D172-I174 VanDerWaalsContact C-N 3.29Å; D172-I174 PolarHBondContact O-N 2.82Å; I174-A176 PolarHBondContact O-N 2.97Å; I174-A177 WeakPolarHBondContact O-CB 3.48Å; I174-A177 PolarHBondContact O-N 3.1Å; I174-A177 VanDerWaalsContact O-N 3.15Å; I174-M178 HydrophobicContact CG2-CE 3.76Å; I174-M178 PolarHBondContact O-N 2.98Å
175V94.5Very high88.6Confident86 Ų86104.3 Ų104.352%0.52160%0.604SS.*Hα-helixtrans-63.8-40.1177.8172.90000111.2V171 D172 A177 M178V171-V175 HydrophobicContact CG1-CG2 4.31Å; V171-V175 WeakPolarHBondContact O-CG2 3.49Å; V171-V175 PolarHBondContact O-N 3.32Å; D172-V175 PolarHBondContact O-N 3.39Å; V175-A177 PolarHBondContact O-N 3.14Å; V175-M178 WeakPolarHBondContact O-CB 3.3Å; V175-M178 PolarHBondContact O-N 3.05Å
176A92.9Very high86.8Confident89 Ų89105 Ų10574%0.73661%0.607SS**Hα-helixtrans-67.4-19.6175.700000113.7D172 I174D172-A176 VanDerWaalsContact O-CB 3.23Å; D172-A176 WeakPolarHBondContact O-CB 3.48Å; D172-A176 PolarHBondContact O-N 2.9Å; I174-A176 PolarHBondContact O-N 2.97Å
177A92.4Very high84.8Confident84 Ų84105.9 Ų105.969%0.69461%0.611SS**THydrogen-bonded Turntrans-86.4-10.4172.200000113.3Q173 I174 V175Q173-A177 PolarHBondContact O-N 3.28Å; I174-A177 WeakPolarHBondContact O-CB 3.48Å; I174-A177 PolarHBondContact O-N 3.1Å; I174-A177 VanDerWaalsContact O-N 3.15Å; V175-A177 PolarHBondContact O-N 3.14Å
178M92.3Very high82.6Confident124 Ų124112.2 Ų112.261%0.61164%0.638SS**SBendtrans-88.3135.2175.4-67176.9176.800110.8I174 V175I174-M178 HydrophobicContact CG2-CE 3.76Å; I174-M178 PolarHBondContact O-N 2.98Å; V175-M178 WeakPolarHBondContact O-CB 3.3Å; V175-M178 PolarHBondContact O-N 3.05Å
179L82.4Confident79.9Confident167 Ų167116 Ų11687%0.87466%0.659SS**  trans-74.4129.9171.7-64.3177.6000109.9G181L179-G181 PolarHBondContact O-N 3.44Å
180P82.6Confident77.4Confident115 Ų115115 Ų11575%0.74766%0.661SS**  trans-61.9109.2173.6-24.135000111.5F182P180-F182 PolarHBondContact O-N 2.88Å
181G79.4Confident75.1Confident72 Ų72120.8 Ų120.874%0.74268%0.68SS**SBendtrans-75.54.1177.400000115L179L179-G181 PolarHBondContact O-N 3.44Å
182F78.4Confident72.4Confident187 Ų187124.8 Ų124.882%0.8269%0.693SS**SBendtrans-136.5139.1-179.1-56.5-81.6000108.8P180 P184P180-F182 PolarHBondContact O-N 2.88Å; F182-P184 VanDerWaalsContact O-CD 3.31Å; F182-P184 WeakPolarHBondContact O-CD 3.49Å
183D74Confident69.8Low111 Ų111125.6 Ų125.659%0.59471%0.706SS**  trans-83.3114.2171-173.9-4.4000109.9N185D183-N185 PolarHBondContact O-N 2.73Å; D183-N185 WeakPolarHBondContact OD1-CB 3.33Å; D183-N185 PolarHBondContact OD1-N 3.04Å
184P69.1Low67Low114 Ų114131.6 Ų131.674%0.7472%0.724SS**THydrogen-bonded Turntrans-75.1-5.8177.332.4-35.2000113.3F182F182-P184 VanDerWaalsContact O-CD 3.31Å; F182-P184 WeakPolarHBondContact O-CD 3.49Å
185N60.3Low64Low125 Ų125131.2 Ų131.267%0.66874%0.735SS**THydrogen-bonded Turntrans-105.827.2-177.1-63.3-81.6000113.8D183 P187D183-N185 PolarHBondContact O-N 2.73Å; D183-N185 WeakPolarHBondContact OD1-CB 3.33Å; D183-N185 PolarHBondContact OD1-N 3.04Å; N185-P187 WeakPolarHBondContact O-CD 3.44Å; N185-P187 VanDerWaalsContact O-N 3.12Å
186L56.3Low61.5Low145 Ų145134.9 Ų134.976%0.75975%0.751SS**  trans-60.1111.1158.1-106170.1000108.3Q188L186-Q188 PolarHBondContact O-N 2.73Å
187P54.9Low58.6Low97 Ų97137.2 Ų137.263%0.6376%0.757SS**  trans-69.3121.9-176.6-15.831.7000108.4N185 Q189N185-P187 WeakPolarHBondContact O-CD 3.44Å; N185-P187 VanDerWaalsContact O-N 3.12Å; P187-Q189 PolarHBondContact O-N 3.07Å
188Q50.5Low56.1Low192 Ų192138.9 Ų138.990%0.89776%0.761SS**  trans-6686165.1-72.2-174.7-2400108.2L186 P190L186-Q188 PolarHBondContact O-N 2.73Å; Q188-P190 VanDerWaalsContact O-CD 3.25Å; Q188-P190 WeakPolarHBondContact O-CD 3.38Å; Q188-P190 VanDerWaalsContact O-N 3.16Å
189Q40.4Very low53.3Low156 Ų156139.8 Ų139.873%0.72977%0.767SS**  trans-56.7115.3169.1-74.1-72.9-4.800107.5P187 E191P187-Q189 PolarHBondContact O-N 3.07Å; Q189-E191 PolarHBondContact O-N 3.37Å
190P43.7Very low51.1Low88 Ų88138 Ų13857%0.57177%0.765SS**  trans-63.5133.3166.728.6-32000107Q188 Q192Q188-P190 VanDerWaalsContact O-CD 3.25Å; Q188-P190 WeakPolarHBondContact O-CD 3.38Å; Q188-P190 VanDerWaalsContact O-N 3.16Å; P190-Q192 VanDerWaalsContact C-N 3.26Å; P190-Q192 PolarHBondContact O-N 3.5Å
191E48.4Very low49.1Very low200 Ų200137.5 Ų137.594%0.93576%0.76SS**  trans-68.283.9-178.4-68-158.9113.400111.3Q189 S193Q189-E191 PolarHBondContact O-N 3.37Å; E191-S193 VanDerWaalsContact C-N 3.32Å; E191-S193 PolarHBondContact O-N 3.38Å
192Q39.3Very low46.9Very low162 Ų162141.6 Ų141.676%0.75777%0.765SS**  trans-73.589174.7-69.9-169.9-0.600109.6P190 R194P190-Q192 VanDerWaalsContact C-N 3.26Å; P190-Q192 PolarHBondContact O-N 3.5Å; Q192-R194 PolarHBondContact O-N 3.23Å
193S40.8Very low45.4Very low103 Ų103141 Ų14172%0.7276%0.764SS**  trans17.899.1141.357.90000114.9E191 A195E191-S193 VanDerWaalsContact C-N 3.32Å; E191-S193 PolarHBondContact O-N 3.38Å; S193-A195 PolarHBondContact O-N 3.03Å
194R38.8Very low43.9Very low244 Ų244143.8 Ų143.892%0.92178%0.779SS**  trans-62.290.8175.6-74.5-176.4170.697.2-4.4111.3Q192 L196Q192-R194 PolarHBondContact O-N 3.23Å; R194-L196 PolarHBondContact O-N 2.81Å
195A32.7Very low42.7Very low94 Ų94147.3 Ų147.378%0.77779%0.785SS**  trans-76.4115.7167.700000109.4S193S193-A195 PolarHBondContact O-N 3.03Å
196L41.7Very low41.7Very low163 Ų163149 Ų14985%0.85379%0.794SS**  trans-77.5128.3-178.5-67.9166.7000111.6R194R194-L196 PolarHBondContact O-N 2.81Å
197T32.4Very low41.1Very low138 Ų138146.8 Ų146.885%0.84779%0.789SS**  trans-163.3161.4153.69.40000108.7
198P39.1Very low41.3Very low120 Ų120146 Ų14678%0.77978%0.782SS**  -110.8176.7-11940.8-37.5000117.1
199L35Very low41.2Very low142 Ų142143.5 Ų143.574%0.74378%0.775SS**  trans-35.4150.2175.9-58177000116.3V201L199-V201 HydrophobicContact CD1-CG2 4.17Å
200P35Very low42.3Very low129 Ų129139.3 Ų139.384%0.83877%0.767SS**  -96.1159.699.1-23.636.3000114.9
201V41.8Very low43.3Very low106 Ų106140.4 Ų140.464%0.64277%0.765SS**  trans-92.5138.6-179.4-177.90000109.4L199L199-V201 HydrophobicContact CD1-CG2 4.17Å
202D33.4Very low44.1Very low157 Ų157134.9 Ų134.984%0.8475%0.745SS**  trans-148.8152.8144.5-98.5-34.4000108.6
203E46Very low45.3Very low174 Ų174133.7 Ų133.781%0.81374%0.739SS**  trans-84.6126.4-150.3-61.2164.1139.200114.6
204L42.2Very low46.6Very low171 Ų171133 Ų13390%0.89573%0.727SS**  trans-138.2128.5144.3-81.9-178.7000108.5
205E44.9Very low48Very low188 Ų188124 Ų12488%0.87971%0.706SS**  trans-75.7131.9-170.6-62.3173.112300111.4C207E205-C207 PolarHBondContact O-N 3.29Å
206L38.9Very low49.5Very low161 Ų161123.4 Ų123.484%0.84369%0.692SS**  trans-78.3112.6159.7-91.970.8000107.4T208L206-T208 PolarHBondContact O-N 3.28Å
207C42.5Very low50.7Low98 Ų98120.3 Ų120.366%0.66267%0.673SS**  trans-54.7136.1161.9-57.80000108.9E205E205-C207 PolarHBondContact O-N 3.29Å
208T59.1Low52.2Low79 Ų79117.6 Ų117.649%0.48565%0.653SS.*  trans-85149.6-177.264.30000110.9L206 A210 E211L206-T208 PolarHBondContact O-N 3.28Å; T208-A210 PolarHBondContact O-N 2.65Å; T208-E211 WeakPolarHBondContact CB-OE2 3.26Å; T208-E211 PolarHBondContact N-OE2 3.32Å; T208-E211 WeakPolarHBondContact O-CB 3.44Å; T208-E211 PolarHBondContact O-N 3.38Å; T208-E211 PolarHBondContact OG1-OE2 2.96Å
209D49.5Very low53.1Low140 Ų140118.4 Ų118.475%0.74965%0.65SS**Hα-helixtrans-56.9-26.4-175.8-63-44.6000113.2E211 V212 E213D209-E211 PolarHBondContact O-N 3.31Å; D209-V212 PolarHBondContact O-N 2.88Å; D209-E213 PolarHBondContact O-N 3.24Å
210A64Low54.2Low68 Ų68119.4 Ų119.456%0.56265%0.649SS**Hα-helixtrans-64.6-34.6175.400000113.5T208 V212 E213 D214T208-A210 PolarHBondContact O-N 2.65Å; A210-V212 VanDerWaalsContact C-N 3.34Å; A210-E213 PolarHBondContact O-N 3.47Å; A210-D214 PolarHBondContact O-N 3.2Å; A210-D214 VanDerWaalsContact O-N 3.11Å
211E64.6Low55.3Low112 Ų112119.2 Ų119.252%0.52363%0.631SS.*Hα-helixtrans-74.1-30.2178.5-64.6163.4110.200111T208 D209 A215T208-E211 WeakPolarHBondContact CB-OE2 3.26Å; T208-E211 PolarHBondContact N-OE2 3.32Å; T208-E211 WeakPolarHBondContact O-CB 3.44Å; T208-E211 PolarHBondContact O-N 3.38Å; T208-E211 PolarHBondContact OG1-OE2 2.96Å; D209-E211 PolarHBondContact O-N 3.31Å; E211-A215 PolarHBondContact O-N 2.65Å
212V63.7Low55.9Low84 Ų84120.9 Ų120.951%0.50964%0.636SS.*Hα-helixtrans-72.4-41.3172.6176.90000111.2D209 A210 V216D209-V212 PolarHBondContact O-N 2.88Å; A210-V212 VanDerWaalsContact C-N 3.34Å; V212-V216 VanDerWaalsContact O-CG2 3.3Å; V212-V216 WeakPolarHBondContact O-CG2 3.42Å; V212-V216 PolarHBondContact O-N 2.89Å; V212-V216 VanDerWaalsContact O-N 3.13Å
213E64.8Low56.7Low136 Ų136120.3 Ų120.364%0.63663%0.633SS**Hα-helixtrans-66.6-34.8176.2-74.7-155.7117.700113.3D209 A210 V216 Q217D209-E213 PolarHBondContact O-N 3.24Å; A210-E213 PolarHBondContact O-N 3.47Å; E213-V216 PolarHBondContact O-N 3.28Å; E213-Q217 WeakPolarHBondContact O-CG 3.36Å; E213-Q217 PolarHBondContact O-N 2.99Å
214D69.4Low57.2Low88 Ų88115.9 Ų115.947%0.47162%0.622SS.*Hα-helixtrans-68.9-45.2177.6-159.441.6000111.5A210 V216 Q217 D218A210-D214 PolarHBondContact O-N 3.2Å; A210-D214 VanDerWaalsContact O-N 3.11Å; D214-V216 VanDerWaalsContact C-N 3.27Å; D214-V216 PolarHBondContact O-N 3.43Å; D214-Q217 WeakPolarHBondContact O-CA 3.46Å; D214-Q217 WeakPolarHBondContact O-CB 3.38Å; D214-Q217 PolarHBondContact O-N 3.06Å; D214-D218 PolarHBondContact O-N 3.3Å
215A66.9Low57.2Low57 Ų57115 Ų11547%0.47162%0.618SS.*Hα-helixtrans-59.8-35.2174.300000113.2E211 Q217 L219E211-A215 PolarHBondContact O-N 2.65Å; A215-Q217 VanDerWaalsContact C-N 3.34Å; A215-L219 WeakPolarHBondContact O-CG 3.35Å; A215-L219 PolarHBondContact O-N 3Å
216V65.4Low56.8Low80 Ų80114.9 Ų114.949%0.48562%0.617SS.*Hα-helixtrans-75.1-22175170.40000112.5V212 E213 D214V212-V216 VanDerWaalsContact O-CG2 3.3Å; V212-V216 WeakPolarHBondContact O-CG2 3.42Å; V212-V216 PolarHBondContact O-N 2.89Å; V212-V216 VanDerWaalsContact O-N 3.13Å; E213-V216 PolarHBondContact O-N 3.28Å; D214-V216 VanDerWaalsContact C-N 3.27Å; D214-V216 PolarHBondContact O-N 3.43Å
217Q66.3Low56.6Low99 Ų99111 Ų11146%0.46361%0.608SS.*Hα-helixtrans-80-41172.1-76.5-173.755.200112.9E213 D214 A215 K220 R221E213-Q217 WeakPolarHBondContact O-CG 3.36Å; E213-Q217 PolarHBondContact O-N 2.99Å; D214-Q217 WeakPolarHBondContact O-CA 3.46Å; D214-Q217 WeakPolarHBondContact O-CB 3.38Å; D214-Q217 PolarHBondContact O-N 3.06Å; A215-Q217 VanDerWaalsContact C-N 3.34Å; Q217-K220 WeakPolarHBondContact O-CA 3.41Å; Q217-K220 WeakPolarHBondContact O-CB 3.44Å; Q217-K220 PolarHBondContact O-N 3.07Å; Q217-R221 WeakPolarHBondContact O-CG 3.49Å; Q217-R221 PolarHBondContact O-N 3.29Å
218D63.3Low56.2Low81 Ų81114 Ų11443%0.43362%0.618SS.*Hα-helixtrans-65.3-41.8177.7-92.8-4.6000112.2D214 K220 R221 D222D214-D218 PolarHBondContact O-N 3.3Å; D218-K220 PolarHBondContact O-N 2.98Å; D218-R221 PolarHBondContact O-N 2.85Å; D218-R221 WeakPolarHBondContact OD1-CD 3.18Å; D218-R221 IonicContact OD1-CZ 2.66Å; D218-R221 IonicContact OD1-NE 3.55Å; D218-R221 IonicContact OD1-NH1 2.71Å; D218-R221 PolarHBondContact OD1-NH1 3.46Å; D218-D222 PolarHBondContact O-N 3.13Å
219L58.8Low55.3Low137 Ų137118.5 Ų118.572%0.71764%0.638SS**THydrogen-bonded Turntrans-60.2-13.8171.4-73.2172000114.1A215A215-L219 WeakPolarHBondContact O-CG 3.35Å; A215-L219 PolarHBondContact O-N 3Å
220K57Low54.3Low162 Ų162121.5 Ų121.570%0.70464%0.644SS**THydrogen-bonded Turntrans-99.6-5.1173.3-92.1177.7176.1169.50114.4Q217 D218Q217-K220 WeakPolarHBondContact O-CA 3.41Å; Q217-K220 WeakPolarHBondContact O-CB 3.44Å; Q217-K220 PolarHBondContact O-N 3.07Å; D218-K220 PolarHBondContact O-N 2.98Å
221R57.8Low52.6Low126 Ų126128 Ų12848%0.47566%0.66SS.*THydrogen-bonded Turntrans-91.2-36.6176.1-68.7167.6-169153.64.4111.2Q217 D218 D223Q217-R221 WeakPolarHBondContact O-CG 3.49Å; Q217-R221 PolarHBondContact O-N 3.29Å; D218-R221 PolarHBondContact O-N 2.85Å; D218-R221 WeakPolarHBondContact OD1-CD 3.18Å; D218-R221 IonicContact OD1-CZ 2.66Å; D218-R221 IonicContact OD1-NE 3.55Å; D218-R221 IonicContact OD1-NH1 2.71Å; D218-R221 PolarHBondContact OD1-NH1 3.46Å; R221-D223 PolarHBondContact O-N 3Å
222D54.8Low50.8Low140 Ų140129.4 Ų129.475%0.74968%0.677SS**THydrogen-bonded Turntrans-73.8-21.2-177.4-75.7-9.2000114.7D218 S224D218-D222 PolarHBondContact O-N 3.13Å; D222-S224 PolarHBondContact O-N 3.11Å
223D51.2Low49.3Very low145 Ų145130.5 Ų130.578%0.77569%0.688SS**THydrogen-bonded Turntrans-85.222.5178.1-139.2-11.6000112.6R221R221-D223 PolarHBondContact O-N 3Å
224S55.2Low47.6Very low81 Ų81135.2 Ų135.257%0.56670%0.7SS**SBendtrans-153.2115.6174.9-82.50000112.2D222D222-S224 PolarHBondContact O-N 3.11Å
225N42.4Very low45.8Very low153 Ų153138.2 Ų138.282%0.81872%0.716SS**  trans75.4130.7-164.2-45.1-79.6000112.2
226Q36.4Very low44.1Very low185 Ų185141.7 Ų141.786%0.86473%0.731SS**  cis-146.6149.415.8-149.9177.6-14.100113.3
227A36.2Very low42.3Very low79 Ų79143.1 Ų143.165%0.65375%0.745SS**  trans-74.2177.8160.500000111.4
228D33.7Very low40.7Very low162 Ų162143.7 Ų143.787%0.86676%0.76SS**  trans6697.8174.8-72.3-35.8000117.7K230D228-K230 PolarHBondContact O-N 3.49Å
229L38.8Very low39.1Very low173 Ų173147.2 Ų147.291%0.90678%0.778SS**  trans-49.7127163.3-64.1162.5000112.6
230K29.9Very low38.7Very low203 Ų203145.7 Ų145.788%0.88378%0.777SS**  trans-156.8114.8146.8-114.8151.1-168.4164.40115.1D228D228-K230 PolarHBondContact O-N 3.49Å
231F27.6Very low37.6Very low205 Ų205143.8 Ų143.890%0.89978%0.779SS**  trans2.3121.8142.8-106.6-107.5000117.3
232T28Very low36.3Very low142 Ų142145 Ų14587%0.87180%0.795SS**  -166.8137.3109.514.60000111.7
233S31.1Very low35.9Very low106 Ų106143.1 Ų143.174%0.74179%0.793SS**  trans-105.1142.8166.11750000109.3
234R28.4Very low35.1Very low235 Ų235145.3 Ų145.389%0.88780%0.798SS**  trans-156.7116169.6-137.3173.9-167.8162.34.9114
235N32.9Very low34Very low151 Ų151147.3 Ų147.381%0.80781%0.807SS**  trans-83.1138.8165.2-66.6-17.6000110.9
236V31Very low33.7Very low131 Ų131146.1 Ų146.179%0.79480%0.796SS**  trans-151.7119.9153.4179.80000105.1
237S28.1Very low33.6Very low109 Ų109143.6 Ų143.676%0.76280%0.796SS**  cis92.1114.525.9-168.70000115.5
238S31.8Very low33.2Very low112 Ų112146.9 Ų146.978%0.78380%0.798SS**  trans-174.2109.714255.70000112.6
239D31Very low33.5Very low154 Ų154143.4 Ų143.482%0.82479%0.792SS**  30.5157.7123.5-102.3-17.3000122.3
240P48.7Very low33Very low106 Ų106140.2 Ų140.269%0.68878%0.784SS**  cis-146.6177.839.743.2-23.2000120.6
241T34.8Very low33.1Very low122 Ų122135.8 Ų135.875%0.74878%0.778SS**  trans81.294.9155.142.10000121.7
242D30.2Very low33.9Very low150 Ų150132.1 Ų132.180%0.80278%0.775SS**  56.7126.1110.3-162.640.7000120.8
243S45.9Very low34.2Very low101 Ų101131.2 Ų131.271%0.70677%0.769SS**  cis-158.5145.3-3249.30000109.4
244H34.3Very low34.3Very low191 Ų191133.2 Ų133.288%0.88477%0.769SS**  trans-152.3163.1178.5-158.8-94.7000113.2
245V33.5Very low35Very low124 Ų124128.1 Ų128.175%0.75277%0.766SS**  trans-97.9142.9-1561800000115.6
246Q34.8Very low35.4Very low127 Ų127126.1 Ų126.159%0.59376%0.759SS**  trans-34163.6165.4-104.2-176-14.100118.9E248Q246-E248 PolarHBondContact NE2-OE1 3.42Å
247P35.7Very low35.3Very low133 Ų133128.1 Ų128.186%0.86477%0.765SS**  -112.8170.179.835.6-35.3000115.7
248E27.2Very low35.4Very low147 Ų147128.9 Ų128.969%0.68777%0.765SS**  trans-81.9161.6-163.4-52.4-132.987.800116.7Q246Q246-E248 PolarHBondContact NE2-OE1 3.42Å
249A39.8Very low35.3Very low90 Ų90131.5 Ų131.574%0.74477%0.768SS**  trans-132.4148.6154.800000110.2
250S29.4Very low35.4Very low105 Ų105131.3 Ų131.373%0.73476%0.762SS**  trans-156.7126165.8-78.20000107.5
251S30.1Very low34.7Very low111 Ų111131.8 Ų131.878%0.77677%0.765SS**  74.5150.650.6-55.50000112.7
252P44.3Very low34.3Very low127 Ų127132.1 Ų132.183%0.82576%0.762SS**  cis-129.6-1609.342.7-25.4000114.4
253T34.6Very low34.1Very low123 Ų123130.6 Ų130.676%0.75575%0.754SS**  trans-132.6131.7-170.4-69.20000111.9
254M33.7Very low33.5Very low149 Ų149132.7 Ų132.773%0.73475%0.752SS**  trans69154162.8-67.6-66.8-84.700116.1V256M254-V256 HydrophobicContact CE-CG2 3.74Å
255P44.2Very low33.2Very low127 Ų127130.3 Ų130.383%0.82574%0.742SS**  -135178.951.641.2-23.3000117.6
256V40.8Very low33Very low109 Ų109130.9 Ų130.966%0.66174%0.74SS**  trans-111.5137.1174.1166.80000110.1M254M254-V256 HydrophobicContact CE-CG2 3.74Å
257L28.3Very low32.5Very low174 Ų174131 Ų13191%0.91175%0.745SS**  trans-150.1154.1149.4-87.5-169.9000111.1
258T31Very low32.2Very low124 Ų124130.5 Ų130.576%0.76174%0.739SS**  trans-91.7148.3-175.7-38.10000112.2
259I29Very low32.1Very low167 Ų167128.5 Ų128.586%0.85674%0.742SS**  trans173145.3136.2-90.6154.7000110.1
260E33.8Very low31.6Very low150 Ų150130.1 Ų130.170%0.70175%0.746SS**  trans-85.6162.6178.5-136.8-156.4112.300112L262E260-L262 PolarHBondContact OE1-N 2.88Å
261P32.5Very low32.3Very low116 Ų116130.3 Ų130.375%0.75375%0.745SS**  -154148.177.739.1-18.9000119
262L27Very low32.2Very low129 Ų129131.6 Ų131.668%0.67574%0.743SS**  56.5153.1127.1-150.564.4000124.3E260E260-L262 PolarHBondContact OE1-N 2.88Å
263D27.2Very low31.6Very low118 Ų118129.4 Ų129.463%0.63174%0.735SS**  trans72.3134.6165.7-66.3-46000117.5
264Q31.4Very low31.6Very low145 Ų145132.2 Ų132.268%0.67875%0.745SS**  cis-167.4166.41-120.4169.753.200108.5
265Q29.1Very low31.8Very low141 Ų141131.1 Ų131.166%0.65974%0.742SS**  cis-164.1164.6-2.6-161.6167.8-126.500109.7
266L29.1Very low31.3Very low136 Ų136130.6 Ų130.671%0.71274%0.739SS**  trans66.3131.9168.7-68.9118.4000118.5
267D25Very low31.1Very low130 Ų130130.8 Ų130.870%0.69574%0.744SS**  cis-157.3167.5-19.9-135.6-55.1000113.2
268T28.6Very low31.5Very low123 Ų123127.7 Ų127.776%0.75574%0.736SS**  trans-74.5170.7-172.4-7.30000113.7
269S24.8Very low32.1Very low105 Ų105129.9 Ų129.973%0.73474%0.742SS**  cis-163.8159.913.351.10000115.5
270C29.4Very low32.5Very low123 Ų123127 Ų12783%0.83173%0.734SS**  trans-128.6177.4154.1-82.40000107.2
271P44.3Very low33Very low109 Ų109126 Ų12671%0.70874%0.741SS**  cis-116.9-14617.124.23.4000111.3
272D27.5Very low33.5Very low138 Ų138127.1 Ų127.174%0.73875%0.745SS**  cis-144.5160.214-80.6-66.4000109.6
273A32.7Very low33.7Very low81 Ų81128.3 Ų128.367%0.66975%0.752SS**  cis90.694.926.500000116.6
274L33.8Very low34Very low183 Ų183127.9 Ų127.996%0.95876%0.758SS**  trans-174.6160.2136.4-103.2171.3000112.4
275D37.4Very low34.5Very low125 Ų125126.4 Ų126.467%0.66876%0.761SS**  trans-110.2140-170.8171.741.5000112.9C277D275-C277 PolarHBondContact OD1-N 3.34Å
276P35.5Very low34.6Very low117 Ų117129 Ų12976%0.7677%0.773SS**  trans-122.861.3171.540.9-28000114S278P276-S278 PolarHBondContact O-N 3.3Å
277C36.2Very low35Very low113 Ų113127.9 Ų127.976%0.76477%0.772SS**  trans-71.274.3168.7-128.60000112D275D275-C277 PolarHBondContact OD1-N 3.34Å
278S35.4Very low35.7Very low108 Ų108127.4 Ų127.476%0.75578%0.776SS**  trans-161.8108.2174.9-82.40000114.1P276P276-S278 PolarHBondContact O-N 3.3Å
279L43.8Very low35.7Very low170 Ų170129.4 Ų129.489%0.8978%0.777SS**  trans156.9141140.2-85.9166.3000110.7
280P38.8Very low36.1Very low106 Ų106130.1 Ų130.169%0.68878%0.782SS**PPolyproline II helixtrans-85145.9-179.133.8-34.4000112.9
281P43.6Very low36.3Very low129 Ų129132.5 Ų132.584%0.83878%0.78SS**PPolyproline II helixtrans-76.3127.6178.929.9-33.9000112.6
282V42.7Very low35.8Very low140 Ų140132.2 Ų132.285%0.84878%0.781SS**PPolyproline II helixtrans-87.7148.9171.61780000110.1
283L31.2Very low36.3Very low154 Ų154133.8 Ų133.881%0.80679%0.787SS**PPolyproline II helixtrans-83.6137-171.6-67.1172.2000114.4
284S33.7Very low36.8Very low110 Ų110137.7 Ų137.777%0.76979%0.794SS**  trans71.2163.6152.3-53.90000117.8
285P42.9Very low36.7Very low114 Ų114135.8 Ų135.874%0.7478%0.784SS**  -131.8145.9-58.336.3-22.7000111.8
286Q31.1Very low37.2Very low194 Ų194133.9 Ų133.991%0.90778%0.779SS**  trans-128.3136168.9-66.3-160.921.400112
287V35.9Very low37.1Very low113 Ų113136.8 Ų136.869%0.68578%0.782SS**  trans-116.5111.6-179.61760000108.8
288P39.6Very low37Very low121 Ų121137 Ų13779%0.78678%0.784SS**  trans-85.4113.1163.1-8.627.2000109.4S290P288-S290 PolarHBondContact O-N 2.8Å
289H30.2Very low37.1Very low165 Ų165137.6 Ų137.676%0.76479%0.786SS**  trans-75.9115168.4-70.4-65.1000110
290S32.9Very low36.7Very low120 Ų120139.9 Ų139.984%0.83978%0.784SS**  trans-90.3123.2168.845.60000110.5P288P288-S290 PolarHBondContact O-N 2.8Å
291H34Very low37.3Very low172 Ų172140 Ų14080%0.79679%0.785SS**  trans-88.6131.7179.7-82.4-101.3000112.3
292S32Very low37Very low104 Ų104142.2 Ų142.273%0.72778%0.784SS**  trans35.8104.2139.8-178.90000118.9
293I39.8Very low37.3Very low170 Ų170140.5 Ų140.587%0.87278%0.776SS**  trans-123.4145.6147.4-63.3-179.4000107.4
294M41.3Very low38.1Very low163 Ų163138.8 Ų138.880%0.80377%0.774SS**  trans-91.5146.4-171.8-59.8-163.872.400113.2
295D33Very low38.1Very low143 Ų143140.9 Ų140.977%0.76578%0.775SS**  trans37.8154137.9-118.430.3000121.2
296P47.2Very low37.6Very low86 Ų86143 Ų14356%0.55878%0.78SS**  cis-141.4175.317.237.6-15.5000118.8
297H34.8Very low37.9Very low178 Ų178138.7 Ų138.782%0.82477%0.77SS**  trans77.7108.6160.7-53.6-50.7000119.7
298S32.6Very low38Very low116 Ų116139.6 Ų139.681%0.81178%0.779SS**  trans-141.1130.2149.4-176.90000109.5
299P37.9Very low37.6Very low122 Ų122142.7 Ų142.779%0.79278%0.783SS**  trans-102.991.6-170.536.8-32.4000113.9
300Y36.4Very low37.8Very low218 Ų218144.3 Ų144.386%0.85579%0.787SS**  trans-152.9138.8158.7-139.8-98.5000112.1
301P50.1Low37.6Very low108 Ų108148.1 Ų148.170%0.70179%0.789SS**PPolyproline II helixtrans-77.1140.6-179.730.2-35.1000113
302E38.3Very low37.4Very low176 Ų176144.1 Ų144.182%0.82278%0.781SS**PPolyproline II helixtrans-77.5137.4175.5-168.5172.5-153.800111.2
303P47.7Very low37.3Very low104 Ų104143.3 Ų143.368%0.67578%0.775SS**PPolyproline II helixtrans-75.8147.2-176.630.1-35000112.9I305P303-I305 PolarHBondContact O-N 3.2Å
304P48.8Very low37Very low118 Ų118144 Ų14477%0.76678%0.775SS**PPolyproline II helixtrans-71.5126.6-17327.9-35000113.4L306P304-L306 PolarHBondContact O-N 3.08Å
305I34.6Very low36.6Very low154 Ų154143.7 Ų143.779%0.7977%0.771SS**  trans-77.6112.3176.9-53173000109.9P303P303-I305 PolarHBondContact O-N 3.2Å
306L31.6Very low36.5Very low159 Ų159143.5 Ų143.583%0.83278%0.775SS**  trans-95.8105176.2-66.8180000111.7P304P304-L306 PolarHBondContact O-N 3.08Å
307S38.3Very low36Very low102 Ų102147.5 Ų147.571%0.71379%0.786SS**PPolyproline II helixtrans-74.8139.9168-64.10000111.5Q309S307-Q309 PolarHBondContact O-N 2.94Å
308P37.4Very low35.7Very low132 Ų132142.4 Ų142.486%0.85778%0.782SS**PPolyproline II helixtrans-68.9117.3-176.4-2032.7000113.3
309Q30.8Very low35.7Very low186 Ų186144.5 Ų144.587%0.86978%0.783SS**PPolyproline II helixtrans-81.4140.6164.5-72.7-166.8-9.400111S307S307-Q309 PolarHBondContact O-N 2.94Å
310K34.6Very low35.5Very low199 Ų199146.1 Ų146.187%0.86578%0.78SS**PPolyproline II helixtrans-90137.2169.5-60.9175.2-177.71760108.9
311F28.3Very low35.3Very low201 Ų201141.4 Ų141.488%0.88277%0.774SS**  trans-141.1153.8159.8-128.9-92.5000110.5
312S29.6Very low34.2Very low88 Ų88142.9 Ų142.962%0.61579%0.785SS**  trans-120.7179.1-173.7570000111.2
313S29.5Very low33.8Very low87 Ų87138.1 Ų138.161%0.60878%0.784SS**  trans64.7142.2154.746.90000117.3
314E34.7Very low33.1Very low184 Ų184139.6 Ų139.686%0.8680%0.796SS**  cis-159.2173.5-16.4-128.5154.5110.300111
315E33.1Very low32.3Very low157 Ų157137.8 Ų137.873%0.73479%0.791SS**  trans-33.6147.1170-176.3-178.9135.400119
316T31.4Very low32.4Very low138 Ų138138.1 Ų138.185%0.84779%0.794SS**  trans-171149.7136.4-75.70000111.5
317H35.2Very low33.4Very low171 Ų171136.3 Ų136.379%0.79279%0.792SS**  trans-96.2156-178.3-68-121.6000114.1
318G28.9Very low33.3Very low71 Ų71138.4 Ų138.473%0.73279%0.794SS**  trans174113.2163.400000119.6
319L32.1Very low33.8Very low160 Ų160138 Ų13884%0.83879%0.791SS**  5.9153.9126.2-66.8158.3000119.6
320Q33.7Very low34Very low156 Ų156136.5 Ų136.573%0.72979%0.789SS**  cis-172.4155.1-14.2-160.6-175.7-12.200109.7
321T32.2Very low33.8Very low118 Ų118135.2 Ų135.272%0.72479%0.79SS**  trans17.2128158.951.80000122.7
322C28Very low34.1Very low139 Ų139132.8 Ų132.894%0.93979%0.786SS**  -171.1175.5112.8610000111.7
323G29.6Very low35Very low77 Ų77134 Ų13479%0.79479%0.791SS**  trans-163.1170.7177.900000114.1
324S33.1Very low35.2Very low134 Ų134134.1 Ų134.194%0.93780%0.798SS**  trans-156.5176.4174.3-165.20000110.8
325A32.1Very low35.2Very low80 Ų80135.2 Ų135.266%0.66180%0.8SS**  trans-142.2145.3-156.600000117.2
326L37.2Very low35.3Very low162 Ų162132.2 Ų132.285%0.84880%0.796SS**  trans64.2170150.5-67.7176.9000118.1
327P50.9Low35.4Very low121 Ų121133.7 Ų133.779%0.78680%0.799SS**  cis-127.8-1753.741.1-23.8000116.9
328L36Very low35Very low146 Ų146129.1 Ų129.176%0.76480%0.798SS**  trans-75.5172.7172.2-69.2160.4000113
329P48.2Very low35.4Very low122 Ų122133.3 Ų133.379%0.79280%0.803SS**  -136.4172.1102.539-29.2000115.4
330L35.8Very low35.5Very low156 Ų156134.1 Ų134.182%0.81780%0.802SS**  trans-84.6169.7177.4-55.689.6000112.4
331L31.1Very low35.6Very low172 Ų172135 Ų13590%0.90181%0.806SS**  -158.3146.1125.5-109.5165000113
332L34.6Very low35.8Very low150 Ų150136 Ų13679%0.78580%0.803SS**  trans-141.5149.4172.5-117.6176.2000106.6
333P47.3Very low36.2Very low113 Ų113137.7 Ų137.773%0.73479%0.794SS**  trans-123.2151.2156.636.3-26.2000112.5
334A34.1Very low36.1Very low89 Ų89137.5 Ų137.574%0.73679%0.792SS**  trans-143.6148.7170.400000109.1
335F33.9Very low36.2Very low208 Ų208138.3 Ų138.391%0.91279%0.792SS**  trans-149.3170.6171.9-83.5-66.5000110.5
336S35.8Very low36.4Very low94 Ų94143 Ų14366%0.65780%0.797SS**  trans-140.6168-137.9-42.20000115.9
337D33.2Very low36.1Very low168 Ų168144.3 Ų144.390%0.89880%0.796SS**  trans67.2142.5148.5-55.7-40000121.8
338G27.2Very low36Very low75 Ų75143.8 Ų143.877%0.77379%0.793SS**  trans168.6125.9170.400000112.9
339L38.2Very low35.8Very low159 Ų159142.8 Ų142.883%0.83279%0.793SS**  trans-97.9165.6176.6-86.692.1000112.5
340E34.3Very low35.1Very low177 Ų177148.1 Ų148.183%0.82780%0.797SS**  -178.7167.8116.7-91.5-54.599.400112
341E35.7Very low35.1Very low175 Ų175146.7 Ų146.782%0.81880%0.797SS**  trans-105156.1-175.1-68.6-169.471.200114.8
342E35.5Very low35.1Very low138 Ų138144.4 Ų144.465%0.64580%0.796SS**  165.7158.5103.3-108.4-145.3102.100115.8
343K36.3Very low35.1Very low175 Ų175142.9 Ų142.976%0.76180%0.798SS**  trans59.5135.6157.9-73.5151.3178.5142.80120.5
344G27.7Very low34.4Very low73 Ų73148.2 Ų148.275%0.75380%0.803SS**  cis139.378.6-1500000117.1
345V36.3Very low34.1Very low152 Ų152155.8 Ų155.892%0.92181%0.813SS**  trans-138.8161.3165.9-174.50000110
346K34.3Very low34.1Very low177 Ų177151.2 Ų151.277%0.7781%0.807SS**  trans-127.5132.7-157.8-77.7177.8177.6173.20117.1
347F31.9Very low34Very low191 Ų191152.5 Ų152.584%0.83882%0.815SS**  trans59.5167.1143.5-66.2-52.5000120.8
348P48.9Very low34.2Very low110 Ų110154.1 Ų154.171%0.71482%0.815SS**  cis-116168.5-16.832.7-14.7000112.3
349T32.3Very low35.1Very low125 Ų125156.6 Ų156.677%0.76782%0.817SS**  -173.5133.766.2-630000113.1
350R33.5Very low34.8Very low234 Ų234161 Ų16188%0.88382%0.823SS**  trans34.2124.7153.1-147.2173.1-167.91792.2121.2
351P35.4Very low34.9Very low125 Ų125160.6 Ų160.681%0.81283%0.825SS**  trans-87.3159.3-177.636.1-37.1000115.4
352S31.1Very low34.7Very low125 Ų125158.5 Ų158.587%0.87483%0.83SS**  trans-85.2134.3169.2179.20000112.1
353S33.4Very low34.4Very low118 Ų118157 Ų15783%0.82584%0.841SS**  trans-96.2100-176.757.50000112.8
354R34.4Very low34.2Very low224 Ų224153.8 Ų153.885%0.84585%0.847SS**  trans-62.8129.5163.1178.6-164.4-58.7-176.41.1110.2
355W27.1Very low34.7Very low249 Ų249154.7 Ų154.794%0.94385%0.848SS**  trans-167.8148.3137.3-92.4-27.2000115
356S34.7Very low35Very low112 Ų112153.7 Ų153.778%0.78385%0.845SS**  trans-115.3139.3172.554.20000109.5
357S32.8Very low35.3Very low120 Ų120151.3 Ų151.384%0.83984%0.84SS**  trans-154.314216954.30000113.7
358F36.7Very low35.9Very low202 Ų202148.2 Ų148.289%0.88684%0.839SS**  trans-75.5154.7177.6-60.8-101.4000112.7
359P47.5Very low35.5Very low127 Ų127153.4 Ų153.483%0.82584%0.844SS**  trans-81.9136.4160.933.1-31.5000111.4
360R31.2Very low36Very low253 Ų253157.3 Ų157.396%0.95585%0.851SS**  trans-139147.9165.6-133.8-175.8-169.4-134.24.2110.9
361L36.8Very low36.1Very low167 Ų167156.9 Ų156.987%0.87485%0.849SS**  trans-70146.8-173.5-61.1162.3000113.1
362S31.1Very low36Very low131 Ų131156.1 Ų156.192%0.91685%0.846SS**  trans-164.8156.7152.8-82.70000111
363A30.1Very low36.2Very low106 Ų106160.8 Ų160.888%0.87684%0.844SS**  trans-151.5146-177.200000112.7
364A31.3Very low36.3Very low108 Ų108160.3 Ų160.389%0.89384%0.841SS**  trans-162.5158.8160.600000110.2
365A37.3Very low36.2Very low92 Ų92154.3 Ų154.376%0.7684%0.839SS**  trans-107.7-179.8-175.100000113
366P43.9Very low36.5Very low132 Ų132147.3 Ų147.386%0.85783%0.828SS**  -136.7-177.399.836-22.6000115.9
367N39.3Very low37.2Very low126 Ų126148 Ų14867%0.67483%0.83SS**  trans-111.2145.9-157.4174.1-5.3000112.6R369N367-R369 PolarHBondContact OD1-N 3.22Å
368P46.3Very low37.3Very low126 Ų126149.6 Ų149.682%0.81882%0.824SS**  trans-127.9149.7135.936.8-28.4000115
369R40.2Very low37.2Very low219 Ų219149.1 Ų149.183%0.82682%0.824SS**  trans-93.6164.7-162.6-51.9162.288.6-172.110.3113.8N367N367-R369 PolarHBondContact OD1-N 3.22Å
370K41.9Very low36.5Very low207 Ų207152.6 Ų152.690%0.982%0.821SS**  trans110.8146.1164.1-64.8161.3-174.2175.10113.4
371R35.2Very low36.5Very low225 Ų225145.8 Ų145.885%0.84981%0.812SS**  cis-171.8139.3-13.2169.1-179.5-166.8-174.36.4110.2
372C34Very low36.4Very low109 Ų109143.5 Ų143.574%0.73681%0.81SS**  trans65.5166.4169.5-730000117.5
373R34.9Very low36.8Very low223 Ų223147.1 Ų147.184%0.84281%0.809SS**  cis-174.3141.2-47.9-122.8-172-173.9-146.93.1108.3
374S36Very low37Very low109 Ų109153.8 Ų153.876%0.76281%0.812SS**  trans35.9137152.159.20000120.6
375A31.5Very low37.2Very low98 Ų98157.7 Ų157.781%0.8180%0.803SS**  -174.817954.500000113.2
376S33.6Very low37.2Very low101 Ų101162.4 Ų162.471%0.70680%0.801SS**  trans-82.8169.8167-164.30000111.4
377P49Very low36.6Very low126 Ų126162.4 Ų162.482%0.81880%0.799SS**  -145.2158.992.939.2-24.4000116.6
378E36.2Very low36.2Very low154 Ų154160.4 Ų160.472%0.7280%0.8SS**  trans-77164.4160.9-51-179.4134.300111.5
379H33.8Very low35.4Very low192 Ų192162.2 Ų162.289%0.88980%0.798SS**  trans-149.3154.9143.8-139.6-92.7000114.2
380R32.3Very low35Very low201 Ų201158.7 Ų158.776%0.75880%0.795SS**  trans-116.4145.4-169.8-64.7178.5165.9-163.1-2.7114.9
381S31.6Very low34.3Very low109 Ų109152 Ų15276%0.76279%0.785SS**  trans45.4120135.771.30000123.4
382S36Very low34.2Very low120 Ų120152 Ų15284%0.83979%0.785SS**  -161.6143.4123.858.10000107.9
383K38.5Very low34.3Very low207 Ų207155 Ų15590%0.979%0.786SS**  cis98.2123.814.3-154.2178.5-164.1178.20114.2
384R35.3Very low35Very low245 Ų245149.1 Ų149.193%0.92578%0.777SS**  trans93.1150.6171.5-152.6-179.6-158.7-150.46.1115.8
385R34.5Very low34.9Very low191 Ų191151.2 Ų151.272%0.72178%0.779SS**  175.7124.7-51.8170.1-172.9-157-15013.4110.7
386R37.1Very low35Very low190 Ų190153.7 Ų153.772%0.71777%0.771SS**  trans73138.8158.6-76.5176.9176.5-177.5-4.3121.8
387T31.6Very low34.8Very low133 Ų133156.7 Ų156.782%0.81678%0.779SS**  trans58.7153.9139.355.30000121.6
388A30.9Very low34Very low84 Ų84156.4 Ų156.469%0.69477%0.767SS**  cis-174.5175-21.700000110.3
389E30.4Very low34Very low164 Ų164154 Ų15477%0.76676%0.762SS**  trans74.1120.6157.6-64.6-155.1105.700123.8
390N30.1Very low34.3Very low144 Ų144150.5 Ų150.577%0.7775%0.75SS**  68.8134.7125.1-54.3-15.3000125.1
391G28.3Very low34.6Very low67 Ų67147.6 Ų147.669%0.69175%0.75SS**  trans117.2100164.200000113.2
392R32.6Very low34.6Very low224 Ų224150.6 Ų150.685%0.84575%0.754SS**  59.3135.356.1-57.4-167.7-179.4-121.33.6112.8
393F35.5Very low34.4Very low172 Ų172148.7 Ų148.775%0.75475%0.746SS**  cis-179.1-166.8-10.9-107.6-43000106.3
394P51Low34.2Very low101 Ų101147 Ų14766%0.65675%0.746SS**  cis-117.2-169.9-31.322.62.7000110.3
395L33.6Very low33.9Very low153 Ų153139.4 Ų139.480%0.80174%0.736SS**  -174.2170.654.4-74.7163000109.4
396K33.7Very low33.9Very low149 Ų149136.8 Ų136.865%0.64874%0.741SS**  cis-176.9124.5-37-172.6-164.8-171.7-154.90110.5Q398K396-Q398 VanDerWaalsContact CE-OE1 3.27Å
397L29.9Very low33.5Very low165 Ų165133.8 Ų133.886%0.86474%0.739SS**  trans-164.6113.2154.8-145.268.5000106.1
398Q31.2Very low33.4Very low120 Ų120138.6 Ų138.656%0.56174%0.742SS**  63.9123.259.6-70.9-158.4-118.900114K396K396-Q398 VanDerWaalsContact CE-OE1 3.27Å
399T37.2Very low33.4Very low102 Ų102141.5 Ų141.563%0.62675%0.745SS**  cis-162.9175.8-12.1-0.70000107.2
400D38.6Very low33.5Very low119 Ų119141.2 Ų141.264%0.63675%0.748SS**  cis-151.9146.78.5-108.7-49.5000107.8
401N38.2Very low33.6Very low141 Ų141144.3 Ų144.375%0.75476%0.755SS**  58138.796.7-75.6-48000117.6
402M32Very low33.5Very low171 Ų171147.4 Ų147.484%0.84276%0.756SS**  cis-140.9162.221.7-58.5177.375.800114.9
403A31.7Very low33.8Very low81 Ų81142.3 Ų142.367%0.66975%0.752SS**  trans37.1143.8143.500000122
404N34.7Very low33.5Very low171 Ų171139.6 Ų139.691%0.91475%0.749SS**  cis-138.5177.215.6-99.1-39.4000111.6
405A29.8Very low32.5Very low86 Ų86146.6 Ų146.671%0.71176%0.762SS**  trans-140.1150.6-165.900000115.8
406V33.3Very low32.3Very low136 Ų136150 Ų15082%0.82477%0.765SS**  trans71.2145.8149.8166.80000115.8
407D28.3Very low32.1Very low126 Ų126154.1 Ų154.167%0.67478%0.776SS**  cis-133.7169.916.3-149.8-15000114.2
408R31.5Very low32Very low235 Ų235155.2 Ų155.289%0.88777%0.774SS**  trans-150.3100.5176.6-164.5-178.1-167.3-171.84.8111.4
409L30.4Very low32.4Very low144 Ų144154.6 Ų154.675%0.75478%0.781SS**  trans-115.9146.5178.3-70.1176.3000113
410L32.8Very low32.1Very low159 Ų159158.9 Ų158.983%0.83279%0.794SS**  trans-81155.4175.2-61.981.6000110.6
411F31Very low31.6Very low208 Ų208159 Ų15991%0.91280%0.798SS**  trans-137.9144.6158-99.5-77000113
412D27.6Very low31.3Very low133 Ų133160 Ų16071%0.71180%0.803SS**  trans-111.5129.8-170.5-161.84.2000109.2V414D412-V414 PolarHBondContact O-N 3.34Å
413P38.5Very low30.9Very low116 Ų116157.9 Ų157.975%0.75381%0.805SS**  trans-80.582.9-178.131.8-34.5000112W415P413-W415 PolarHBondContact O-N 3.11Å
414V29Very low31Very low115 Ų115158.7 Ų158.770%0.69781%0.806SS**  trans-67.5124.3176.9174.40000112D412 R416D412-V414 PolarHBondContact O-N 3.34Å; V414-R416 PolarHBondContact O-N 3.16Å
415W30.1Very low30.6Very low248 Ų248160 Ų16094%0.93980%0.804SS**  trans-54.1129.6171.4-78.375000112.3P413P413-W415 PolarHBondContact O-N 3.11Å
416R28.5Very low30.5Very low226 Ų226161.2 Ų161.285%0.85381%0.807SS**  trans-118.7136.5164.7-68.1-161.5-174.1-150.95.6111.8V414V414-R416 PolarHBondContact O-N 3.16Å
417R30.4Very low30.3Very low235 Ų235160.6 Ų160.689%0.88780%0.803SS**  trans-120.9122.9-177.2173.9-166.4-164.9162.84.8107.8
418F27.7Very low30.4Very low188 Ų188160.1 Ų160.183%0.82581%0.81SS**  trans-154.5162.4173.6-97.4-54.7000109.9
419P39.3Very low30.2Very low107 Ų107153.2 Ų153.270%0.69580%0.803SS**  -122.4174.3-107.742.5-32.7000115.3
420E30.7Very low30.3Very low192 Ų192150.8 Ų150.890%0.89780%0.804SS**  trans-76.3126.9167.6-56.9167.1123.400111
421T28.3Very low30.4Very low120 Ų120151.2 Ų151.274%0.73680%0.801SS**  trans-146.7122.4154.643.40000112.3
422L31.1Very low30.4Very low162 Ų162148.4 Ų148.485%0.84880%0.796SS**  trans51.9112.6146.6-55.8174.7000119.5
423S25.1Very low30.4Very low127 Ų127150.9 Ų150.989%0.88880%0.801SS**  trans-136.890.2146.449.50000110.9
424S32.3Very low30.1Very low99 Ų99150.6 Ų150.669%0.69280%0.797SS**  trans-117.678.4172.661.30000110.2
425F26.2Very low30.3Very low199 Ų199151.4 Ų151.487%0.87381%0.805SS**  trans-128.6111169.2-81.6-73.4000110.5
426S29.5Very low30.3Very low110 Ų110145.7 Ų145.777%0.76980%0.797SS**  trans-82.7129.9162-179.60000108.2
427V29.2Very low30.4Very low123 Ų123142.5 Ų142.575%0.74580%0.796SS**  trans-132.6105.8165.7-179.40000107.9
428S28.7Very low30.4Very low117 Ų117140.9 Ų140.982%0.81880%0.796SS**  trans-79.8115.2167.7-61.60000109.2
429A28.8Very low30.5Very low90 Ų90141 Ų14174%0.74480%0.799SS**  trans-142.3109167.800000109
430A31Very low30.3Very low92 Ų92143.6 Ų143.676%0.7681%0.805SS**  trans-89.5131.6175.800000110.1
431Q35.1Very low30.2Very low168 Ų168141.9 Ų141.979%0.78580%0.803SS**  trans-134.2124.2157.1-70.6-166.6-7.700108.6
432N31.6Very low30.4Very low149 Ų149141.6 Ų141.680%0.79781%0.806SS**  trans-85.3132.2-179.7-56.8-51.2000109.1
433F27.7Very low30.3Very low185 Ų185138.5 Ų138.581%0.81180%0.803SS**  trans-120.894.4167.4-85.4-82.3000110
434T31.6Very low30.6Very low111 Ų111139.2 Ų139.268%0.68180%0.797SS**  trans-81.8127.1165.445.10000109.5T436T434-T436 PolarHBondContact O-N 3.14Å
435P34.4Very low30.6Very low132 Ų132143.6 Ų143.686%0.85780%0.804SS**  trans-77.4105.4168.430.6-30.7000109.3
436T30.2Very low30.7Very low127 Ų127137.9 Ų137.978%0.77980%0.801SS**PPolyproline II helixtrans-76.3139.4178.6-50.60000111T434T434-T436 PolarHBondContact O-N 3.14Å
437L30.1Very low30.7Very low159 Ų159142.5 Ų142.583%0.83281%0.808SS**PPolyproline II helixtrans-63.7147.7176.5-164.177.9000111.5
438F30.6Very low31.6Very low201 Ų201142.6 Ų142.688%0.88281%0.811SS**PPolyproline II helixtrans-63.6136.4165.1-77.3-94.5000110.5
439Q29.8Very low31.7Very low190 Ų190140.5 Ų140.589%0.88881%0.807SS**  trans-135149.5166.5-161.6164.911.300109
440I34.5Very low31.9Very low162 Ų162143.6 Ų143.683%0.83181%0.812SS**  trans-100.7135.3-165.7-63.6168.5000110.1
441D27.7Very low32.2Very low157 Ų157145.7 Ų145.784%0.8481%0.81SS**  trans-69.9139.8174.3-93.1-47000112.8
442S32.6Very low32.3Very low114 Ų114147.2 Ų147.280%0.79781%0.814SS**  trans-164.5103.5155.3-82.10000113.5
443A30.4Very low32.5Very low96 Ų96149.1 Ų149.179%0.79382%0.815SS**  trans55.6100.1140.400000122.7
444D30.6Very low33.3Very low142 Ų142146 Ų14676%0.75981%0.813SS**  87.9159.2110-146.25.7000122.2
445F31.6Very low34.1Very low191 Ų191146.3 Ų146.384%0.83882%0.818SS**  trans78.1115.1173.2-67.7-83.7000121.7
446G28.3Very low33.9Very low79 Ų79145.1 Ų145.181%0.81482%0.818SS**  114.393.1123.700000120.5
447F30.2Very low33.9Very low208 Ų208143.4 Ų143.491%0.91282%0.818SS**  trans-75.3177.2163.1-72.6-82.7000113.3
448P47.6Very low33.9Very low125 Ų125143.7 Ų143.781%0.81282%0.818SS**  cis-133.5-175-34.234.7-15.9000113.5
449G31.4Very low33.9Very low72 Ų72139.6 Ų139.674%0.74281%0.814SS**  trans164.494.6160.400000120.1
450D32.6Very low34.1Very low156 Ų156137.3 Ų137.383%0.83481%0.808SS**  trans21.8137.4148.9-53.6-21000125.9
451D36.8Very low34Very low135 Ų135141.2 Ų141.272%0.72281%0.813SS**  trans50.8105.5137.6-80.8-7.9000123.2
452K38.8Very low34.1Very low200 Ų200141.2 Ų141.287%0.8781%0.812SS**  178148.9101.2-95.4142.9-161.6148.80116.5
453K35.8Very low34.1Very low190 Ų190140.4 Ų140.483%0.82681%0.813SS**  trans-106.9149.6160.4-175168.8177.4179.90105.6
454P44Very low34.1Very low118 Ų118144.8 Ų144.877%0.76682%0.817SS**  -148.2-144.255.548.1-24.8000114.2
455P47.6Very low34.1Very low119 Ų119148.6 Ų148.677%0.77382%0.821SS**  -119.4162.6-127.931.7-9.1000116
456A31Very low34Very low106 Ų106144.8 Ų144.888%0.87682%0.817SS**  trans-138.4161.8162.900000109.7
457A29.7Very low34.2Very low92 Ų92148.8 Ų148.876%0.7682%0.815SS**  trans-135.6172.1-173.300000111.8
458I31.2Very low34.3Very low165 Ų165144.5 Ų144.585%0.84681%0.808SS**  trans71.5106.5170.4-44.5172.7000115.6
459S30Very low33.5Very low114 Ų114147.3 Ų147.380%0.79781%0.81SS**  -165.1132.1123.8-175.60000109
460D32.8Very low33.7Very low143 Ų143148.4 Ų148.477%0.76581%0.806SS**  trans-65.7156.2162.7-64-76.3000110.8
461R33.8Very low33.9Very low244 Ų244144.9 Ų144.992%0.92180%0.798SS**  trans-158.5121.4149.7-133.9173.3-178.5161.61.8110.4
462D29.9Very low34.1Very low156 Ų156143.5 Ų143.583%0.83480%0.799SS**  trans-63.6140.2-176.8-58.2-89.5000112.8
463A32.9Very low34.2Very low98 Ų98142.5 Ų142.581%0.8180%0.798SS**  trans-97.696.2173.300000109.9R465A463-R465 PolarHBondContact O-N 3.28Å; A463-R465 VanDerWaalsContact O-N 3.09Å
464E30.1Very low34.4Very low188 Ų188139.1 Ų139.188%0.87980%0.797SS**  trans-49.5113.1171.3-90.4-68.411500111.1S466E464-S466 PolarHBondContact O-N 3.18Å
465R30.3Very low34.3Very low222 Ų222140.9 Ų140.984%0.83880%0.798SS**  trans-94.593.3-177.3-169.1-178.6-169.2174.25.9110.2A463 H467A463-R465 PolarHBondContact O-N 3.28Å; A463-R465 VanDerWaalsContact O-N 3.09Å; R465-H467 PolarHBondContact O-N 3.2Å; R465-H467 VanDerWaalsContact O-N 3.13Å
466S29.2Very low33.6Very low110 Ų110141.2 Ų141.277%0.76979%0.789SS**  trans-47116.3178.957.20000113E464E464-S466 PolarHBondContact O-N 3.18Å
467H31.6Very low34.4Very low164 Ų164141 Ų14176%0.75978%0.779SS**  trans-75.2134.4173-77.2-88.1000110.8R465 H469R465-H467 PolarHBondContact O-N 3.2Å; R465-H467 VanDerWaalsContact O-N 3.13Å; H467-H469 PolarHBondContact O-N 3.25Å
468P33.6Very low34.9Very low118 Ų118140.3 Ų140.377%0.76677%0.773SS**  trans-72.4112.8167.329.2-31.8000109.4S470P468-S470 PolarHBondContact O-N 2.88Å
469H30.4Very low35.4Very low184 Ų184139.3 Ų139.385%0.85277%0.769SS**  trans-61.9118178.4-67.5-93.1000110.9H467 A471H467-H469 PolarHBondContact O-N 3.25Å; H469-A471 PolarHBondContact O-N 2.9Å
470S35.8Very low36.2Very low95 Ų95139.5 Ų139.566%0.66476%0.759SS**  trans-8292.7164.4-66.70000108.5P468 S472P468-S470 PolarHBondContact O-N 2.88Å; S470-S472 PolarHBondContact O-N 3.13Å
471A36.9Very low36.5Very low81 Ų81138 Ų13867%0.66976%0.757SS**  trans-69.197.2174.600000110.2H469 E473H469-A471 PolarHBondContact O-N 2.9Å; A471-E473 PolarHBondContact O-N 2.72Å
472S41.8Very low36.5Very low106 Ų106132.2 Ų132.274%0.74175%0.745SS**  trans-87.684.1166.259.30000109S470 C474S470-S472 PolarHBondContact O-N 3.13Å; S472-C474 PolarHBondContact O-N 3.46Å; S472-C474 VanDerWaalsContact O-N 3.14Å
473E39.7Very low37.2Very low180 Ų180132.9 Ų132.984%0.84175%0.747SS**  trans-72.7102.7176.5-68.7179.2177.800109.9A471A471-E473 PolarHBondContact O-N 2.72Å
474C39.3Very low37.4Very low119 Ų119132 Ų13280%0.80474%0.74SS**PPolyproline II helixtrans-82.4120.6166.9-660000108.4S472 E476S472-C474 PolarHBondContact O-N 3.46Å; S472-C474 VanDerWaalsContact O-N 3.14Å; C474-E476 PolarHBondContact O-N 3.2Å
475I43.4Very low37.9Very low154 Ų154128.2 Ų128.279%0.7973%0.73SS**PPolyproline II helixtrans-62.3126.1173.1-61.7170.9000108.5
476E31.8Very low38Very low127 Ų127128 Ų12859%0.59373%0.729SS**PPolyproline II helixtrans-71.2130.2-176.2-169.7178.1176.500111.1C474 A478 L479C474-E476 PolarHBondContact O-N 3.2Å; E476-A478 HydrophobicContact CG-CB 4.09Å; E476-A478 PolarHBondContact O-N 3.48Å; E476-A478 VanDerWaalsContact O-N 3.1Å; E476-L479 PolarHBondContact O-N 3.16Å
477P47.6Very low38.4Very low102 Ų102127.7 Ų127.766%0.66273%0.733SS**G310 helixtrans-66.4-13.8-176.726.4-34.9000114L479 I480P477-L479 PolarHBondContact O-N 2.85Å; P477-I480 PolarHBondContact O-N 3.13Å
478A41.2Very low38.6Very low76 Ų76123.7 Ų123.763%0.62873%0.729SS**G310 helixtrans-65.7-12.9175.700000114.2E476E476-A478 HydrophobicContact CG-CB 4.09Å; E476-A478 PolarHBondContact O-N 3.48Å; E476-A478 VanDerWaalsContact O-N 3.1Å
479L41.3Very low38.4Very low145 Ų145126.7 Ų126.776%0.75973%0.732SS**G310 helixtrans-9910.8176.2-63.1177.2000113.5E476 P477E476-L479 PolarHBondContact O-N 3.16Å; P477-L479 PolarHBondContact O-N 2.85Å
480I45.8Very low39Very low117 Ų117123.8 Ų123.860%0.673%0.733SS**SBendtrans-104.4119.9175.8-54.2177.3000108.6P477 D482P477-I480 PolarHBondContact O-N 3.13Å; I480-D482 PolarHBondContact O-N 3.07Å
481P40.4Very low39.2Very low111 Ų111123.7 Ų123.772%0.72173%0.732SS**  trans-59.6129.7173.6-24.534.9000111.6L483P481-L483 PolarHBondContact O-N 3.09Å
482D33.1Very low39.3Very low123 Ų123125.5 Ų125.566%0.65873%0.73SS**  trans-69.3117.3-176-173.21.8000111.8I480 A484 T485I480-D482 PolarHBondContact O-N 3.07Å; D482-A484 VanDerWaalsContact OD1-CB 3.3Å; D482-A484 WeakPolarHBondContact OD1-CB 3.5Å; D482-A484 PolarHBondContact OD1-N 2.89Å; D482-T485 PolarHBondContact OD2-OG1 3.34Å
483L45.3Very low39.1Very low170 Ų170124.6 Ų124.689%0.8972%0.724SS**SBendtrans-87-2.9-179-87162.9000113.8P481P481-L483 PolarHBondContact O-N 3.09Å
484A37.8Very low39.4Very low80 Ų80122.1 Ų122.166%0.66172%0.717SS**SBendtrans-79.6-16.9-175.200000114.8D482D482-A484 VanDerWaalsContact OD1-CB 3.3Å; D482-A484 WeakPolarHBondContact OD1-CB 3.5Å; D482-A484 PolarHBondContact OD1-N 2.89Å
485T39.8Very low39.7Very low108 Ų108128.1 Ų128.166%0.66372%0.722SS**SBendtrans-11714.4-156.1-31.60000115.1D482D482-T485 PolarHBondContact OD2-OG1 3.34Å
486R33.1Very low39.7Very low219 Ų219127 Ų12783%0.82672%0.718SS**  trans-129.842175-63.1-164.573.7166.71.1113.9A488R486-A488 VanDerWaalsContact C-N 3.29Å; R486-A488 PolarHBondContact O-N 3.27Å
487A36.4Very low40.1Very low103 Ų103128.3 Ų128.385%0.85172%0.718SS**  trans-91.938.717400000113.4
488A35.7Very low40Very low80 Ų80130.1 Ų130.166%0.66172%0.722SS**SBendtrans-158.5153.2169.200000110.3R486R486-A488 VanDerWaalsContact C-N 3.29Å; R486-A488 PolarHBondContact O-N 3.27Å
489E30.2Very low40.1Very low181 Ų181133.5 Ų133.585%0.84673%0.729SS**  trans60.888.6166.9-60.7-174.4163.700117.8
490S43.3Very low40.1Very low122 Ų122133.7 Ų133.785%0.85373%0.73SS**  33.5109.7128.5-163.70000118.9
491S39.5Very low39.8Very low94 Ų94132.1 Ų132.166%0.65773%0.729SS**  trans-148.6110.4147.5-173.30000108.1
492D39.8Very low40Very low118 Ų118130.7 Ų130.763%0.63173%0.727SS**  trans-56.5151164.1-79.6-23.4000109.1R497D492-R497 IonicContact OD2-NH1 3.85Å
493S36.1Very low40.3Very low87 Ų87132.7 Ų132.761%0.60874%0.736SS**  trans-128.4114.8178.9-64.70000108.2W495S493-W495 PolarHBondContact O-N 3.09Å
494D45.8Very low40.2Very low128 Ų128128.1 Ų128.168%0.68472%0.723SS**THydrogen-bonded Turntrans-73.534.4-163.8-63.2-59.2000115.9
495W47.3Very low40.2Very low245 Ų245130 Ų13093%0.92873%0.728SS**THydrogen-bonded Turntrans-98.5-7.6178.6-65.594.9000114S493S493-W495 PolarHBondContact O-N 3.09Å
496D42.8Very low40.1Very low130 Ų130130.7 Ų130.770%0.69574%0.735SS**SBendtrans-1251.7-170.6-118.2-20.3000114.7
497R40.3Very low40.4Very low155 Ų155127.1 Ų127.159%0.58574%0.737SS**SBendtrans-87.6-24.8-171.5-69.4-168.664.9113.44.5115.6D492 S501D492-R497 IonicContact OD2-NH1 3.85Å; R497-S501 PolarHBondContact O-OG 2.99Å
498D44.6Very low40.9Very low140 Ų140128.1 Ų128.175%0.74974%0.738SS**SBendtrans-88.4-24.3-173.5-69.9-19.8000113.6L500 S501D498-L500 VanDerWaalsContact C-N 3.29Å; D498-L500 PolarHBondContact O-N 2.79Å; D498-S501 PolarHBondContact O-N 2.9Å
499L43.3Very low41Very low148 Ų148127.6 Ų127.678%0.77574%0.74SS**THydrogen-bonded Turntrans-69.6-21.7-179.1-105.3167.2000114.4
500L40.9Very low41.6Very low149 Ų149128.7 Ų128.778%0.7875%0.746SS**THydrogen-bonded Turntrans-106.8-7.3178.9-66.3176.3000113.8D498D498-L500 VanDerWaalsContact C-N 3.29Å; D498-L500 PolarHBondContact O-N 2.79Å
501S41.1Very low41.5Very low83 Ų83129.5 Ų129.558%0.5874%0.74SS**G310 helixtrans-84.9-10.6-179.8-62.20000113.3R497 D498 L503R497-S501 PolarHBondContact O-OG 2.99Å; D498-S501 PolarHBondContact O-N 2.9Å; S501-L503 PolarHBondContact O-N 3.44Å
502A44.2Very low41.9Very low82 Ų82129.5 Ų129.568%0.67873%0.732SS**G310 helixtrans-83.43.4-17400000115.9
503L39.1Very low42.7Very low164 Ų164131.8 Ų131.886%0.85974%0.737SS**G310 helixtrans-103.613.7-178.3-69.3175.6000114.5S501S501-L503 PolarHBondContact O-N 3.44Å
504A42.7Very low43.2Very low74 Ų74135.4 Ų135.461%0.61274%0.744SS**SBendtrans-91.7141.6165.600000110.6
505P39.2Very low43.3Very low119 Ų119135.6 Ų135.677%0.77374%0.744SS**PPolyproline II helixtrans-69.2129.2-177.127.5-34.2000111.6V507P505-V507 PolarHBondContact O-N 3.23Å
506P36.1Very low43.2Very low124 Ų124130.9 Ų130.981%0.80574%0.736SS**PPolyproline II helixtrans-73.9123.8-177.228.4-34.1000112S508P506-S508 PolarHBondContact O-N 2.66Å
507V39.5Very low43.3Very low144 Ų144132.5 Ų132.587%0.87374%0.739SS**  trans-81104.1167.6177.80000108.8P505P505-V507 PolarHBondContact O-N 3.23Å
508S47Very low43.5Very low124 Ų124135 Ų13587%0.86775%0.749SS**SBendtrans38.878.4160.4-161.60000116.5P506P506-S508 PolarHBondContact O-N 2.66Å
509G37.8Very low43.6Very low69 Ų69133.1 Ų133.171%0.71174%0.744SS**  trans-125.5124.2160.200000109.3L511G509-L511 PolarHBondContact O-N 3.47Å
510E42.8Very low43.6Very low204 Ų204130.5 Ų130.595%0.95374%0.737SS**  trans-81.3102.9-175.2-171.2163.5-163.700110.6
511L41.3Very low43.9Very low139 Ų139129.6 Ų129.673%0.72874%0.74SS**  trans-84115.7176.5-170.872.9000109.8G509 K513G509-L511 PolarHBondContact O-N 3.47Å; L511-K513 PolarHBondContact O-N 3.24Å
512D48.9Very low43.9Very low94 Ų94137.4 Ų137.450%0.50376%0.757SS.*  trans-60128.2175.3-178.30.8000110.9E514D512-E514 PolarHBondContact OD1-N 3.37Å
513K55.5Low43.9Very low166 Ų166140.8 Ų140.872%0.72276%0.761SS**SBendtrans-97.1-14.1-173.1-60.1175.2-173.6168.30112.6L511 L515 L516L511-K513 PolarHBondContact O-N 3.24Å; K513-L515 PolarHBondContact O-N 3.15Å; K513-L516 PolarHBondContact O-N 3.35Å
514E46.8Very low44.3Very low163 Ų163139.4 Ų139.476%0.76275%0.75SS**G310 helixtrans-73-30.7-173.3-61.1-168.5178.200112D512 L516 H517D512-E514 PolarHBondContact OD1-N 3.37Å; E514-L516 VanDerWaalsContact C-N 3.28Å; E514-L516 PolarHBondContact O-N 2.86Å; E514-H517 PolarHBondContact O-N 3.1Å
515L48.7Very low44.6Very low132 Ų132143.8 Ų143.869%0.69176%0.763SS**G310 helixtrans-68.3-22.2179.1-65.4178.6000114.2K513K513-L515 PolarHBondContact O-N 3.15Å
516L44.9Very low44.9Very low145 Ų145141.5 Ų141.576%0.75975%0.75SS**G310 helixtrans-84.1-12177.2-68.4175.2000113.4K513 E514K513-L516 PolarHBondContact O-N 3.35Å; E514-L516 VanDerWaalsContact C-N 3.28Å; E514-L516 PolarHBondContact O-N 2.86Å
517H45.4Very low45.8Very low164 Ų164140.5 Ų140.576%0.75975%0.746SS**G310 helixtrans-105.713.6-174.3-92.9-75000114.6E514 P519E514-H517 PolarHBondContact O-N 3.1Å; H517-P519 WeakPolarHBondContact O-CD 3.23Å
518R44.3Very low46.3Very low208 Ų208141.4 Ų141.479%0.78574%0.735SS**  trans-90.7105-177.5-160.1175.3-162.4162.36.8111.7
519P46.5Very low46.9Very low101 Ų101141 Ų14166%0.65672%0.719SS**  trans-66.6139.2178.727.9-35.2000111.5H517 P521H517-P519 WeakPolarHBondContact O-CD 3.23Å; P519-P521 VanDerWaalsContact O-CD 3.26Å; P519-P521 WeakPolarHBondContact O-CD 3.21Å
520C42.4Very low47.8Very low92 Ų92141.1 Ų141.162%0.62271%0.709SS**  trans-78.6111.6179.3-75.20000111.4W522 M523C520-W522 PolarHBondContact O-N 2.94Å; C520-M523 PolarHBondContact O-N 2.86Å
521P47.8Very low48.3Very low131 Ų131137.7 Ų137.785%0.85169%0.693SS**THydrogen-bonded Turntrans-68.1-5.5-169.9-22.535.3000116.4P519P519-P521 VanDerWaalsContact O-CD 3.26Å; P519-P521 WeakPolarHBondContact O-CD 3.21Å
522W40.6Very low48.9Very low247 Ų247134.7 Ų134.794%0.93668%0.677SS**THydrogen-bonded Turntrans-92-10.1-176.6-156.7-74.6000113.3C520C520-W522 PolarHBondContact O-N 2.94Å
523M45.3Very low48.8Very low153 Ų153137 Ų13775%0.75468%0.684SS**SBendtrans-108.338.9-167.1-97.4-17065.800115C520C520-M523 PolarHBondContact O-N 2.86Å
524H46.2Very low49Very low134 Ų134134.2 Ų134.262%0.6268%0.682SS**  trans-120.7162.1168.2-62.7-53.5000111.2
525D48.9Very low49.3Very low166 Ų166131.3 Ų131.389%0.88868%0.675SS**  trans67.932.1176.2-53.8-14.5000117.2
526S47.3Very low49.4Very low72 Ų72131.3 Ų131.350%0.50368%0.675SS.*  trans-75.8125.5152.495.90000109.1Y528S526-Y528 PolarHBondContact O-N 2.76Å
527S53.2Low49.2Very low103 Ų103132 Ų13272%0.7267%0.674SS**Hα-helixtrans-67.35.7-176.656.20000115.2S530S527-S530 PolarHBondContact O-OG 2.94Å
528Y50.6Low49Very low163 Ų163130 Ų13064%0.63968%0.676SS**Hα-helixtrans-80-43.8-179.9-173-110.9000112.1S526 H531 L532S526-Y528 PolarHBondContact O-N 2.76Å; Y528-H531 PolarHBondContact O-N 2.81Å; Y528-L532 HydrophobicContact CD1-CD1 4.01Å; Y528-L532 HydrophobicContact CE1-CD1 3.69Å; Y528-L532 HydrophobicContact CE1-CG 4.5Å; Y528-L532 WeakPolarHBondContact O-CG 3.47Å; Y528-L532 PolarHBondContact O-N 3.09Å; Y528-L532 VanDerWaalsContact O-N 3.08Å
529E58.6Low48.7Very low115 Ų115124.9 Ų124.954%0.53768%0.678SS.*Hα-helixtrans-67.2-42.8-178.1-66.8-169.8130.500112.3H531 L532 H533E529-H531 VanDerWaalsContact C-N 3.26Å; E529-H531 PolarHBondContact O-N 3.34Å; E529-L532 PolarHBondContact O-N 3.1Å; E529-L532 VanDerWaalsContact O-N 3.16Å; E529-H533 PolarHBondContact O-CD2 2.85Å; E529-H533 PolarHBondContact O-N 2.95Å
530S57.8Low48.1Very low72 Ų72124.9 Ų124.950%0.50369%0.687SS.*Hα-helixtrans-64-30.7176.450.30000112.8S527 T534S527-S530 PolarHBondContact O-OG 2.94Å; S530-T534 PolarHBondContact O-N 3.13Å; S530-T534 PolarHBondContact O-OG1 3.39Å
531H52.4Low47.8Very low132 Ų132125.1 Ų125.161%0.61170%0.695SS**Hα-helixtrans-70.6-41.9172.4-157.475.3000112Y528 E529 T534 V535Y528-H531 PolarHBondContact O-N 2.81Å; E529-H531 VanDerWaalsContact C-N 3.26Å; E529-H531 PolarHBondContact O-N 3.34Å; H531-T534 PolarHBondContact O-N 2.86Å; H531-V535 WeakPolarHBondContact O-CG2 3.42Å; H531-V535 PolarHBondContact O-N 3.43Å; H531-V535 VanDerWaalsContact O-N 3.14Å
532L53.8Low47.1Very low76 Ų76127.1 Ų127.140%0.39870%0.698SS.*Hα-helixtrans-61.9-44.6174.6-69.3174000112Y528 E529 T534 V535 L536Y528-L532 HydrophobicContact CD1-CD1 4.01Å; Y528-L532 HydrophobicContact CE1-CD1 3.69Å; Y528-L532 HydrophobicContact CE1-CG 4.5Å; Y528-L532 WeakPolarHBondContact O-CG 3.47Å; Y528-L532 PolarHBondContact O-N 3.09Å; Y528-L532 VanDerWaalsContact O-N 3.08Å; E529-L532 PolarHBondContact O-N 3.1Å; E529-L532 VanDerWaalsContact O-N 3.16Å; L532-T534 VanDerWaalsContact C-N 3.27Å; L532-T534 PolarHBondContact O-N 3.4Å; L532-V535 PolarHBondContact O-N 3.43Å; L532-L536 WeakPolarHBondContact O-CB 3.49Å; L532-L536 WeakPolarHBondContact O-CG 3.29Å; L532-L536 PolarHBondContact O-N 3.01Å; L532-L536 VanDerWaalsContact O-N 3.11Å
533H48.5Very low46.7Very low142 Ų142121.9 Ų121.966%0.65770%0.697SS**Hα-helixtrans-61.6-33.7176.4-90.3-84.8000113.3E529E529-H533 PolarHBondContact O-CD2 2.85Å; E529-H533 PolarHBondContact O-N 2.95Å
534T59.4Low46.1Very low108 Ų108118 Ų11866%0.66370%0.697SS**Hα-helixtrans-73.3-33177.7-55.50000112.3S530 H531 L532S530-T534 PolarHBondContact O-N 3.13Å; S530-T534 PolarHBondContact O-OG1 3.39Å; H531-T534 PolarHBondContact O-N 2.86Å; L532-T534 VanDerWaalsContact C-N 3.27Å; L532-T534 PolarHBondContact O-N 3.4Å
535V52.8Low45.5Very low101 Ų101120.9 Ų120.961%0.61271%0.71SS**Hα-helixtrans-82.7-22.2-178.4172.50000112.8H531 L532H531-V535 WeakPolarHBondContact O-CG2 3.42Å; H531-V535 PolarHBondContact O-N 3.43Å; H531-V535 VanDerWaalsContact O-N 3.14Å; L532-V535 PolarHBondContact O-N 3.43Å
536L51Low45Very low133 Ų133120.4 Ų120.470%0.69671%0.708SS**SBendtrans-99.2-3-173.7-66.8173.9000115.4L532 P538L532-L536 WeakPolarHBondContact O-CB 3.49Å; L532-L536 WeakPolarHBondContact O-CG 3.29Å; L532-L536 PolarHBondContact O-N 3.01Å; L532-L536 VanDerWaalsContact O-N 3.11Å; L536-P538 WeakPolarHBondContact O-CD 3.46Å
537Q40.9Very low44.8Very low158 Ų158123 Ų12374%0.73872%0.72SS**SBendtrans-76.9125172.8-79.2-170.5-13.700111.6
538P39.8Very low43.8Very low123 Ų123124.1 Ų124.180%0.79972%0.718SS**PPolyproline II helixtrans-65.5136.2169-18.132000110.7L536 A540L536-P538 WeakPolarHBondContact O-CD 3.46Å; P538-A540 PolarHBondContact O-N 3.27Å
539A38.5Very low43.2Very low101 Ų101122.6 Ų122.684%0.83573%0.728SS**PPolyproline II helixtrans-65.6116.2172.800000110.1A541A539-A541 PolarHBondContact O-N 3.44Å; A539-A541 VanDerWaalsContact O-N 3.09Å
540A34.2Very low42.3Very low101 Ų101120 Ų12084%0.83573%0.726SS**  trans-65.8108.3176.700000110.2P538 L542P538-A540 PolarHBondContact O-N 3.27Å; A540-L542 PolarHBondContact O-N 2.86Å
541A35.8Very low41.5Very low96 Ų96122.3 Ų122.379%0.79374%0.738SS**  trans-73.3112175.300000109.8A539A539-A541 PolarHBondContact O-N 3.44Å; A539-A541 VanDerWaalsContact O-N 3.09Å
542L34.1Very low40.5Very low174 Ų174125.1 Ų125.191%0.91175%0.748SS**  trans-64.4132.3167.8-81162.3000109.7A540A540-L542 PolarHBondContact O-N 2.86Å
543C32.3Very low39.7Very low136 Ų136126.2 Ų126.292%0.91976%0.762SS**  trans-64140.5179.5-60.40000111.8
544G31.4Very low39.6Very low73 Ų73131.3 Ų131.375%0.75378%0.776SS**  trans-137.7129.4169.200000109.3
545E33.8Very low38.6Very low193 Ų193132 Ų13290%0.90278%0.78SS**  trans-29.3148.6-166.6-73.2161.588.500121
546D38.6Very low37.8Very low156 Ų156133.7 Ų133.783%0.83479%0.79SS**  trans-76.2136174.6-178.425.7000112.2
547V42.4Very low37Very low127 Ų127133.3 Ų133.377%0.7779%0.793SS**  trans-141.8119.2174.7-178.10000110.7
548D33.8Very low36.7Very low127 Ų127133.9 Ų133.968%0.67980%0.796SS**  trans-59.7123.7-171.1-172.85.5000114.9A550D548-A550 VanDerWaalsContact C-N 3.28Å; D548-A550 PolarHBondContact O-N 3.15Å; D548-A550 VanDerWaalsContact O-N 3.1Å
549P38.3Very low36.7Very low131 Ų131135.7 Ų135.785%0.85180%0.797SS**  trans-8649-179.436.3-36.8000113.8
550A39.8Very low36.6Very low59 Ų59136 Ų13649%0.48879%0.788SS.*  trans-110.2120.6176.200000112.3D548D548-A550 VanDerWaalsContact C-N 3.28Å; D548-A550 PolarHBondContact O-N 3.15Å; D548-A550 VanDerWaalsContact O-N 3.1Å
551T39.8Very low36.6Very low122 Ų122139.2 Ų139.275%0.74879%0.786SS**  trans66133.7-167.370.80000112.8
552F31.8Very low36.8Very low191 Ų191140.6 Ų140.684%0.83878%0.784SS**  -149.7160.961.3-104.4-91.7000116
553S36.4Very low36.7Very low98 Ų98140.2 Ų140.269%0.68578%0.778SS**  trans-26.9141.8174.7-53.80000120.1
554R45.9Very low37.1Very low250 Ų250145.7 Ų145.794%0.94379%0.789SS**  trans-57.3131.5157.5-69.4171.9169.7162.1-4.6111.1
555T39.5Very low37.4Very low123 Ų123149.3 Ų149.376%0.75579%0.791SS**  trans-123.9116.2162.7-570000109.1
556V36.4Very low37.6Very low136 Ų136147 Ų14782%0.82479%0.785SS**  trans-85.9115.4175.4175.60000108.4
557V32.5Very low37.6Very low124 Ų124146.5 Ų146.575%0.75278%0.783SS**  trans-88.1119.8173.4-179.80000109.2
558Q35.3Very low37.3Very low170 Ų170147.6 Ų147.679%0.79478%0.783SS**  trans-88.4106.9-177.2-172.5174.511.200109.7V560Q558-V560 PolarHBondContact O-N 3.46Å
559I39.5Very low37.5Very low161 Ų161148.9 Ų148.983%0.82679%0.79SS**  trans-77.1115.8174.3-59.6178.5000108.4
560V36.3Very low37.4Very low108 Ų108150.1 Ų150.166%0.65579%0.786SS**  trans-90.1124.4174177.40000108.8Q558 V562Q558-V560 PolarHBondContact O-N 3.46Å; V560-V562 HydrophobicContact CG1-CG2 4.34Å; V560-V562 PolarHBondContact O-N 3.37Å
561E35.2Very low37.3Very low168 Ų168156.6 Ų156.679%0.78581%0.807SS**  trans-71.4121.6172.2-173.9176.3-179.400109.7
562V38.8Very low37.1Very low125 Ų125159.3 Ų159.376%0.75881%0.812SS**  trans-119.3112.8172-179.60000108V560V560-V562 HydrophobicContact CG1-CG2 4.34Å; V560-V562 PolarHBondContact O-N 3.37Å
563Q32.3Very low37.5Very low166 Ų166156.7 Ų156.778%0.77681%0.81SS**  trans-99.3129.7-178.2178.4177.695.500109.4
564H42Very low37.6Very low251 Ų251162 Ų162100%1.16282%0.821SS**  trans-157.10170.1-117.6-55.8000112.7

Retrieved 564 of 564 residues in 112.6 ms (Link to these results)