A0A087XJJ1_POEFO Loading...

Sodium/potassium-transporting ATPase subunit beta

This is the non-catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of Na(+) and K(+) ions across the plasma membrane.

AlphaFold DB , UniProt , Accession A0A087XJJ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 272 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
1G69.4Low92.5Very high95 Ų95113.7 Ų113.798%0.97960%0.595SS**  0-68.2000000112.3I3 I4 L5G1-I3 PolarHBondContact O-N 2.86Å; G1-I4 PolarHBondContact O-N 2.71Å; G1-L5 PolarHBondContact O-N 3.1Å; G1-L5 VanDerWaalsContact O-N 3.1Å
2L87.1Confident92.9Very high150 Ų150114.8 Ų114.879%0.78560%0.6SS**Hα-helixtrans-60.6-38.5-170.3-69.4162000115.3I4 L5 F6L2-I4 VanDerWaalsContact C-N 3.35Å; L2-I4 PolarHBondContact O-N 3.39Å; L2-L5 PolarHBondContact O-N 3.3Å; L2-F6 WeakPolarHBondContact O-CB 3.48Å; L2-F6 PolarHBondContact O-N 2.84Å
3I92.6Very high93.2Very high126 Ų126113.1 Ų113.165%0.64660%0.602SS**Hα-helixtrans-65.1-40.8177.9-60.6169.7000110.9G1 F6 Y7G1-I3 PolarHBondContact O-N 2.86Å; I3-F6 WeakPolarHBondContact O-CB 3.47Å; I3-F6 PolarHBondContact O-N 3.2Å; I3-Y7 HydrophobicContact CG2-CD2 3.85Å; I3-Y7 HydrophobicContact CG2-CE2 3.69Å; I3-Y7 WeakPolarHBondContact O-CD2 3.49Å; I3-Y7 PolarHBondContact O-N 3.39Å; I3-Y7 VanDerWaalsContact O-N 3.07Å
4I93.4Very high93.6Very high117 Ų117111.1 Ų111.160%0.659%0.591SS**Hα-helixtrans-67.1-44.5178.6-62.4173.3000110.1G1 L2 F6 Y7 I8G1-I4 PolarHBondContact O-N 2.71Å; L2-I4 VanDerWaalsContact C-N 3.35Å; L2-I4 PolarHBondContact O-N 3.39Å; I4-F6 VanDerWaalsContact C-N 3.31Å; I4-F6 PolarHBondContact O-N 3.01Å; I4-Y7 PolarHBondContact O-N 3.39Å; I4-I8 HydrophobicContact CG2-CD1 3.92Å; I4-I8 HydrophobicContact CG2-CG1 4.48Å; I4-I8 WeakPolarHBondContact O-CG1 3.4Å; I4-I8 PolarHBondContact O-N 2.87Å
5L94.1Very high93.9Very high103 Ų103106.2 Ų106.254%0.53958%0.577SS.*Hα-helixtrans-59.3-42.9175.7-177.467.9000111.7G1 L2 I8 V9G1-L5 PolarHBondContact O-N 3.1Å; G1-L5 VanDerWaalsContact O-N 3.1Å; L2-L5 PolarHBondContact O-N 3.3Å; L5-I8 PolarHBondContact O-N 3.2Å; L5-V9 WeakPolarHBondContact O-CG2 3.39Å; L5-V9 PolarHBondContact O-N 3.39Å
6F96.1Very high94.1Very high125 Ų125102.1 Ų102.155%0.54857%0.568SS.*Hα-helixtrans-57.1-50.7175.2170.2-95.2000111.6L2 I3 I4 I8 V9 F10L2-F6 WeakPolarHBondContact O-CB 3.48Å; L2-F6 PolarHBondContact O-N 2.84Å; I3-F6 WeakPolarHBondContact O-CB 3.47Å; I3-F6 PolarHBondContact O-N 3.2Å; I4-F6 VanDerWaalsContact C-N 3.31Å; I4-F6 PolarHBondContact O-N 3.01Å; F6-I8 VanDerWaalsContact C-N 3.32Å; F6-I8 PolarHBondContact O-N 2.86Å; F6-V9 PolarHBondContact O-N 3.47Å; F6-F10 VanDerWaalsContact O-CB 3.23Å; F6-F10 WeakPolarHBondContact O-CB 3.08Å; F6-F10 PolarHBondContact O-N 2.95Å
7Y96.3Very high94.3Very high118 Ų118102.2 Ų102.246%0.46357%0.566SS.*Hα-helixtrans-64.4-36178.8-80.4-69.9000112.6I3 I4 F10 Y11I3-Y7 HydrophobicContact CG2-CD2 3.85Å; I3-Y7 HydrophobicContact CG2-CE2 3.69Å; I3-Y7 WeakPolarHBondContact O-CD2 3.49Å; I3-Y7 PolarHBondContact O-N 3.39Å; I3-Y7 VanDerWaalsContact O-N 3.07Å; I4-Y7 PolarHBondContact O-N 3.39Å; Y7-F10 PolarHBondContact O-N 3.35Å; Y7-Y11 HydrophobicContact CD1-CD2 4.38Å; Y7-Y11 AromaticContact CD1-CE2 3.78Å; Y7-Y11 HydrophobicContact CD1-CE2 3.78Å; Y7-Y11 HydrophobicContact CG-CE2 4.47Å; Y7-Y11 WeakPolarHBondContact O-CB 3.28Å; Y7-Y11 WeakPolarHBondContact O-CD2 3.43Å; Y7-Y11 PolarHBondContact O-N 2.62Å
8I96.6Very high94.5Very high89 Ų89103.8 Ų103.846%0.45657%0.567SS.*Hα-helixtrans-60.4-52.3174.7-71168000110.4I4 L5 F6 F10 Y11 L12I4-I8 HydrophobicContact CG2-CD1 3.92Å; I4-I8 HydrophobicContact CG2-CG1 4.48Å; I4-I8 WeakPolarHBondContact O-CG1 3.4Å; I4-I8 PolarHBondContact O-N 2.87Å; L5-I8 PolarHBondContact O-N 3.2Å; F6-I8 VanDerWaalsContact C-N 3.32Å; F6-I8 PolarHBondContact O-N 2.86Å; I8-F10 VanDerWaalsContact C-N 3.34Å; I8-F10 PolarHBondContact O-N 3.21Å; I8-Y11 PolarHBondContact O-N 3.21Å; I8-L12 HydrophobicContact CG2-CD1 3.92Å; I8-L12 HydrophobicContact CG2-CG 4.49Å; I8-L12 WeakPolarHBondContact O-CB 3.48Å; I8-L12 VanDerWaalsContact O-CG 3.24Å; I8-L12 WeakPolarHBondContact O-CG 3.44Å; I8-L12 PolarHBondContact O-N 2.97Å
9V96.8Very high94.7Very high90 Ų90101.4 Ų101.455%0.54556%0.562SS.*Hα-helixtrans-63.9-41.9-179.7175.10000111L5 F6 L12 C13L5-V9 WeakPolarHBondContact O-CG2 3.39Å; L5-V9 PolarHBondContact O-N 3.39Å; F6-V9 PolarHBondContact O-N 3.47Å; V9-L12 PolarHBondContact O-N 3.17Å; V9-C13 WeakPolarHBondContact O-CB 3.3Å; V9-C13 PolarHBondContact O-N 2.88Å
10F97.2Very high94.8Very high96 Ų96101.1 Ų101.142%0.42156%0.559SS.*Hα-helixtrans-59.7-50.2177.8178.1-97.1000111.9F6 Y7 I8 L12 C13 L14F6-F10 VanDerWaalsContact O-CB 3.23Å; F6-F10 WeakPolarHBondContact O-CB 3.08Å; F6-F10 PolarHBondContact O-N 2.95Å; Y7-F10 PolarHBondContact O-N 3.35Å; I8-F10 VanDerWaalsContact C-N 3.34Å; I8-F10 PolarHBondContact O-N 3.21Å; F10-L12 PolarHBondContact O-N 3.44Å; F10-C13 PolarHBondContact O-N 2.88Å; F10-L14 HydrophobicContact CE1-CD2 4.21Å; F10-L14 WeakPolarHBondContact O-CB 3.39Å; F10-L14 PolarHBondContact O-N 3.22Å
11Y97.6Very high94.9Very high142 Ų14299.9 Ų99.956%0.55755%0.554SS**Hα-helixtrans-70.5-29.8179.9-77.4-61.8000113.1Y7 I8 L14 G15Y7-Y11 HydrophobicContact CD1-CD2 4.38Å; Y7-Y11 AromaticContact CD1-CE2 3.78Å; Y7-Y11 HydrophobicContact CD1-CE2 3.78Å; Y7-Y11 HydrophobicContact CG-CE2 4.47Å; Y7-Y11 WeakPolarHBondContact O-CB 3.28Å; Y7-Y11 WeakPolarHBondContact O-CD2 3.43Å; Y7-Y11 PolarHBondContact O-N 2.62Å; I8-Y11 PolarHBondContact O-N 3.21Å; Y11-L14 HydrophobicContact CD1-CD2 4.14Å; Y11-L14 HydrophobicContact CE1-CD2 4.32Å; Y11-G15 PolarHBondContact O-N 2.97Å
12L97.6Very high96.2Very high126 Ų12698.9 Ų98.966%0.6653%0.525SS*.Hα-helixtrans-64.9-44.6171-74.4173.3000111.5I8 V9 F10 G16I8-L12 HydrophobicContact CG2-CD1 3.92Å; I8-L12 HydrophobicContact CG2-CG 4.49Å; I8-L12 WeakPolarHBondContact O-CB 3.48Å; I8-L12 VanDerWaalsContact O-CG 3.24Å; I8-L12 WeakPolarHBondContact O-CG 3.44Å; I8-L12 PolarHBondContact O-N 2.97Å; V9-L12 PolarHBondContact O-N 3.17Å; F10-L12 PolarHBondContact O-N 3.44Å; L12-G16 PolarHBondContact O-N 2.98Å
13C97.4Very high96.6Very high93 Ų9398.4 Ų98.463%0.62851%0.514SS*.Hα-helixtrans-64.6-45.6176.1-172.10000111.4V9 F10 G15 G16 L17V9-C13 WeakPolarHBondContact O-CB 3.3Å; V9-C13 PolarHBondContact O-N 2.88Å; F10-C13 PolarHBondContact O-N 2.88Å; C13-G15 PolarHBondContact O-N 3.13Å; C13-G16 PolarHBondContact O-N 3.35Å; C13-L17 PolarHBondContact O-N 2.64Å
14L97.7Very high96.9Very high86 Ų8697.1 Ų97.145%0.4551%0.507SS..Hα-helixtrans-61.9-44.2177.6-174.366.1000111.9F10 Y11 G16 L17 F18F10-L14 HydrophobicContact CE1-CD2 4.21Å; F10-L14 WeakPolarHBondContact O-CB 3.39Å; F10-L14 PolarHBondContact O-N 3.22Å; Y11-L14 HydrophobicContact CD1-CD2 4.14Å; Y11-L14 HydrophobicContact CE1-CD2 4.32Å; L14-G16 VanDerWaalsContact C-N 3.34Å; L14-L17 PolarHBondContact O-N 2.81Å; L14-F18 PolarHBondContact O-N 3.41Å
15G98.1Very high96.9Very high37 Ų3795.9 Ų95.938%0.38150%0.5SS..Hα-helixtrans-63.2-39.6174.900000112.3Y11 C13 F18 A19Y11-G15 PolarHBondContact O-N 2.97Å; C13-G15 PolarHBondContact O-N 3.13Å; G15-F18 PolarHBondContact O-N 3.4Å; G15-A19 WeakPolarHBondContact O-CB 3.26Å; G15-A19 PolarHBondContact O-N 2.96Å
16G97.9Very high96.9Very high41 Ų4195.7 Ų95.742%0.42350%0.499SS..Hα-helixtrans-63-44.117400000112.8L12 C13 L14 A19 L20L12-G16 PolarHBondContact O-N 2.98Å; C13-G16 PolarHBondContact O-N 3.35Å; L14-G16 VanDerWaalsContact C-N 3.34Å; G16-A19 PolarHBondContact O-N 2.85Å; G16-L20 WeakPolarHBondContact O-CB 3.11Å; G16-L20 PolarHBondContact O-N 3.37Å
17L97.7Very high96.7Very high103 Ų10395.9 Ų95.954%0.53950%0.501SS..Hα-helixtrans-62.3-44.6175.5-178.165.3000111.3C13 L14 L20 T21C13-L17 PolarHBondContact O-N 2.64Å; L14-L17 PolarHBondContact O-N 2.81Å; L17-L20 PolarHBondContact O-N 3.22Å; L17-T21 HydrophobicContact CD1-CG2 4.47Å; L17-T21 WeakPolarHBondContact O-CG2 3.35Å; L17-T21 PolarHBondContact O-N 3.06Å; L17-T21 PolarHBondContact O-OG1 3.41Å
18F97.9Very high96.4Very high132 Ų13295.2 Ų95.258%0.57951%0.51SS*.Hα-helixtrans-62.3-42.9176.1176.6-99.6000112.4L14 G15 L20 T21 M22L14-F18 PolarHBondContact O-N 3.41Å; G15-F18 PolarHBondContact O-N 3.4Å; F18-L20 VanDerWaalsContact C-N 3.34Å; F18-L20 PolarHBondContact O-N 3.31Å; F18-T21 PolarHBondContact O-N 3.2Å; F18-T21 PolarHBondContact O-OG1 3.34Å; F18-M22 HydrophobicContact CE1-CE 4.33Å; F18-M22 HydrophobicContact CE2-CE 4.14Å; F18-M22 HydrophobicContact CZ-CE 3.64Å; F18-M22 VanDerWaalsContact O-CB 3.3Å; F18-M22 WeakPolarHBondContact O-CB 3.12Å; F18-M22 PolarHBondContact O-N 3.25Å
19A97.7Very high96.1Very high57 Ų5794.8 Ų94.847%0.47151%0.508SS..Hα-helixtrans-63.7-40.8176.500000111.6G15 G16 M22 Y23G15-A19 WeakPolarHBondContact O-CB 3.26Å; G15-A19 PolarHBondContact O-N 2.96Å; G16-A19 PolarHBondContact O-N 2.85Å; A19-M22 PolarHBondContact O-N 3.41Å; A19-Y23 WeakPolarHBondContact O-CB 3.4Å; A19-Y23 PolarHBondContact O-N 3Å
20L97.4Very high95.6Very high96 Ų9693.1 Ų93.150%0.50350%0.496SS..Hα-helixtrans-64.9-45.7176.9-179.863.5000112G16 L17 F18 M22 Y23 I24G16-L20 WeakPolarHBondContact O-CB 3.11Å; G16-L20 PolarHBondContact O-N 3.37Å; L17-L20 PolarHBondContact O-N 3.22Å; F18-L20 VanDerWaalsContact C-N 3.34Å; F18-L20 PolarHBondContact O-N 3.31Å; L20-M22 VanDerWaalsContact C-N 3.34Å; L20-M22 PolarHBondContact O-N 2.97Å; L20-Y23 PolarHBondContact O-N 3.18Å; L20-I24 HydrophobicContact CD1-CD1 4.19Å; L20-I24 HydrophobicContact CD1-CG1 4.42Å; L20-I24 HydrophobicContact CG-CD1 4.12Å; L20-I24 WeakPolarHBondContact O-CG1 3.16Å; L20-I24 PolarHBondContact O-N 3.41Å
21T97.1Very high95Very high75 Ų7593.8 Ų93.846%0.4650%0.504SS..Hα-helixtrans-65.1-39.817856.30000111.5L17 F18 I24 M25L17-T21 HydrophobicContact CD1-CG2 4.47Å; L17-T21 WeakPolarHBondContact O-CG2 3.35Å; L17-T21 PolarHBondContact O-N 3.06Å; L17-T21 PolarHBondContact O-OG1 3.41Å; F18-T21 PolarHBondContact O-N 3.2Å; F18-T21 PolarHBondContact O-OG1 3.34Å; T21-I24 PolarHBondContact O-N 3.27Å; T21-M25 WeakPolarHBondContact O-CB 3.44Å; T21-M25 PolarHBondContact O-N 2.93Å
22M96.3Very high94.3Very high74 Ų7489.6 Ų89.637%0.36549%0.489SS..Hα-helixtrans-63-42.5173.3-170.163.87300111.7F18 A19 L20 M25 L26F18-M22 HydrophobicContact CE1-CE 4.33Å; F18-M22 HydrophobicContact CE2-CE 4.14Å; F18-M22 HydrophobicContact CZ-CE 3.64Å; F18-M22 VanDerWaalsContact O-CB 3.3Å; F18-M22 WeakPolarHBondContact O-CB 3.12Å; F18-M22 PolarHBondContact O-N 3.25Å; A19-M22 PolarHBondContact O-N 3.41Å; L20-M22 VanDerWaalsContact C-N 3.34Å; L20-M22 PolarHBondContact O-N 2.97Å; M22-M25 PolarHBondContact O-N 3.07Å; M22-M25 HydrophobicContact SD-CE 3.4Å; M22-M25 WeakPolarHBondContact SD-CE 3.29Å; M22-M25 HydrophobicContact SD-SD 4.46Å; M22-L26 HydrophobicContact CG-CD1 4.45Å; M22-L26 WeakPolarHBondContact O-CG 3.22Å; M22-L26 PolarHBondContact O-N 3.19Å
23Y96.3Very high93.7Very high141 Ų14189.8 Ų89.855%0.55349%0.485SS*.Hα-helixtrans-61.6-48177.3177.3-98.1000112.1A19 L20 M25 L26 Q27A19-Y23 WeakPolarHBondContact O-CB 3.4Å; A19-Y23 PolarHBondContact O-N 3Å; L20-Y23 PolarHBondContact O-N 3.18Å; Y23-M25 VanDerWaalsContact C-N 3.3Å; Y23-M25 PolarHBondContact O-N 3.02Å; Y23-L26 PolarHBondContact O-N 3.12Å; Y23-Q27 HydrophobicContact CD1-CG 4.43Å; Y23-Q27 HydrophobicContact CE1-CG 4.05Å; Y23-Q27 WeakPolarHBondContact O-CG 3.12Å; Y23-Q27 PolarHBondContact O-N 3.32Å; Y23-Q27 VanDerWaalsContact O-N 3.16Å; Y23-Q27 PolarHBondContact OH-NE2 3.28Å
24I96.8Very high93.3Very high99 Ų9988.1 Ų88.151%0.50847%0.473SS..Hα-helixtrans-60.8-42.4177.6-66.9168.7000110.6L20 T21 L26 Q27L20-I24 HydrophobicContact CD1-CD1 4.19Å; L20-I24 HydrophobicContact CD1-CG1 4.42Å; L20-I24 HydrophobicContact CG-CD1 4.12Å; L20-I24 WeakPolarHBondContact O-CG1 3.16Å; L20-I24 PolarHBondContact O-N 3.41Å; T21-I24 PolarHBondContact O-N 3.27Å; I24-L26 VanDerWaalsContact C-N 3.35Å; I24-L26 PolarHBondContact O-N 2.69Å; I24-Q27 PolarHBondContact O-N 3.26Å
25M94.8Very high92.8Very high90 Ų9088 Ų8844%0.44348%0.476SS..Hα-helixtrans-60.4-43175.9-174.2-165.57700111.8T21 M22 Y23 Q27 T28T21-M25 WeakPolarHBondContact O-CB 3.44Å; T21-M25 PolarHBondContact O-N 2.93Å; M22-M25 PolarHBondContact O-N 3.07Å; M22-M25 HydrophobicContact SD-CE 3.4Å; M22-M25 WeakPolarHBondContact SD-CE 3.29Å; M22-M25 HydrophobicContact SD-SD 4.46Å; Y23-M25 VanDerWaalsContact C-N 3.3Å; Y23-M25 PolarHBondContact O-N 3.02Å; M25-Q27 VanDerWaalsContact C-N 3.26Å; M25-Q27 PolarHBondContact O-N 3.26Å; M25-T28 PolarHBondContact O-N 2.67Å; M25-T28 PolarHBondContact O-OG1 3.1Å
26L93Very high92.2Very high100 Ų10095.8 Ų95.852%0.52449%0.494SS..Hα-helixtrans-64.9-29.9179-70.3172.8000112.9M22 Y23 I24 T28 L29M22-L26 HydrophobicContact CG-CD1 4.45Å; M22-L26 WeakPolarHBondContact O-CG 3.22Å; M22-L26 PolarHBondContact O-N 3.19Å; Y23-L26 PolarHBondContact O-N 3.12Å; I24-L26 VanDerWaalsContact C-N 3.35Å; I24-L26 PolarHBondContact O-N 2.69Å; L26-T28 VanDerWaalsContact C-N 3.26Å; L26-T28 PolarHBondContact O-N 2.94Å; L26-L29 HydrophobicContact CD2-CD1 4.13Å; L26-L29 PolarHBondContact O-N 3Å
27Q92.5Very high91.5Very high128 Ų12897 Ų9760%0.59849%0.489SS*.Hα-helixtrans-71.3-17.2176.4-65.3-63.6-28.700113.6Y23 I24 M25Y23-Q27 HydrophobicContact CD1-CG 4.43Å; Y23-Q27 HydrophobicContact CE1-CG 4.05Å; Y23-Q27 WeakPolarHBondContact O-CG 3.12Å; Y23-Q27 PolarHBondContact O-N 3.32Å; Y23-Q27 VanDerWaalsContact O-N 3.16Å; Y23-Q27 PolarHBondContact OH-NE2 3.28Å; I24-Q27 PolarHBondContact O-N 3.26Å; M25-Q27 VanDerWaalsContact C-N 3.26Å; M25-Q27 PolarHBondContact O-N 3.26Å
28T91.1Very high90.7Very high105 Ų10597.8 Ų97.864%0.64449%0.493SS*.THydrogen-bonded Turntrans-91.4-4.7177.465.90000113.4M25 L26M25-T28 PolarHBondContact O-N 2.67Å; M25-T28 PolarHBondContact O-OG1 3.1Å; L26-T28 VanDerWaalsContact C-N 3.26Å; L26-T28 PolarHBondContact O-N 2.94Å
29L90.1Very high89.7Confident79 Ų79103 Ų10341%0.41451%0.509SS..SBendtrans-91.3139-178.4-60.8178.4000111.4L26L26-L29 HydrophobicContact CD2-CD1 4.13Å; L26-L29 PolarHBondContact O-N 3Å
30D84.8Confident88.9Confident56 Ų56104.6 Ų104.630%0.29951%0.509SS..  trans-80.3129.8167.8-168.6-34.6000109.2H32 K33 K108D30-H32 VanDerWaalsContact C-N 3.25Å; D30-H32 PolarHBondContact O-N 2.76Å; D30-H32 IonicContact OD1-CD2 3.7Å; D30-H32 PolarHBondContact OD1-N 2.85Å; D30-K33 HydrophobicContact CB-CG 3.93Å; D30-K33 VanDerWaalsContact O-O 3.11Å; D30-K33 WeakPolarHBondContact OD2-CE 3.47Å; D30-K108 IonicContact OD1-NZ 3.89Å; D30-K108 PolarHBondContact OD1-NZ 3.03Å; D30-K108 IonicContact OD2-NZ 3.81Å; D30-K108 PolarHBondContact OD2-NZ 3.16Å; D30-K108 VanDerWaalsContact OD2-NZ 3.09Å
31D85.6Confident87.9Confident109 Ų109103.8 Ų103.858%0.58351%0.511SS*.SBendtrans-66.8-23.4179.3-97.6-17.3000114.3K215D31-K215 HydrophobicContact CB-CD 4.03Å; D31-K215 WeakPolarHBondContact O-CD 3.3Å; D31-K215 IonicContact OD1-NZ 3.12Å; D31-K215 PolarHBondContact OD1-NZ 3.25Å; D31-K215 IonicContact OD2-NZ 2.82Å; D31-K215 PolarHBondContact OD2-NZ 3.16Å
32H83.5Confident87.3Confident55 Ų55101.7 Ų101.726%0.25550%0.499SS..SBendtrans-101.2-22.8-172.5-64.5-87000113.9D30 N110D30-H32 VanDerWaalsContact C-N 3.25Å; D30-H32 PolarHBondContact O-N 2.76Å; D30-H32 IonicContact OD1-CD2 3.7Å; D30-H32 PolarHBondContact OD1-N 2.85Å; H32-N110 PolarHBondContact CE1-ND2 2.92Å
33K85.1Confident86.9Confident129 Ų12998.3 Ų98.356%0.56148%0.482SS*.SBendtrans-138.7138.2-178.464.3-179-179.7-179.30111.2D30D30-K33 HydrophobicContact CB-CG 3.93Å; D30-K33 VanDerWaalsContact O-O 3.11Å; D30-K33 WeakPolarHBondContact OD2-CE 3.47Å
34P88.6Confident86.6Confident59 Ų5992.1 Ų92.138%0.38346%0.461SS..  trans-68.3146.3173.230.4-35.6000110.2W36 Q37P34-W36 VanDerWaalsContact C-N 3.33Å; P34-W36 PolarHBondContact O-N 3.19Å; P34-Q37 HydrophobicContact CG-CG 3.62Å
35T85.9Confident86.3Confident83 Ų8387.5 Ų87.551%0.50944%0.437SS..SBendtrans-65.2-35.9178.4-45.10000112.5
36W85.9Confident86.1Confident200 Ų20084.8 Ų84.876%0.75843%0.426SS*.  trans-132.8139.5-176.5-54.7107.4000110.7P34P34-W36 VanDerWaalsContact C-N 3.33Å; P34-W36 PolarHBondContact O-N 3.19Å
37Q84.1Confident86.2Confident67 Ų6780.1 Ų80.131%0.31340%0.402SS..  trans-131.811-178-68.1-173.8-23.900113.7P34 R39 L40 I150P34-Q37 HydrophobicContact CG-CG 3.62Å; Q37-R39 PolarHBondContact O-N 2.85Å; Q37-L40 PolarHBondContact O-N 2.95Å; Q37-I150 PolarHBondContact NE2-O 2.97Å; Q37-I150 PolarHBondContact OE1-O 3.01Å
38D79.4Confident86.2Confident119 Ų11977.9 Ų77.964%0.63639%0.388SS*.THydrogen-bonded Turntrans-63.6-16.6-169.5-35.2-33.8000113.9S41D38-S41 PolarHBondContact O-OG 2.86Å
39R78.4Confident86.2Confident243 Ų24373 Ų7392%0.91736%0.358SS*.THydrogen-bonded Turntrans-92.8-1.2176.4-59.2-63.2-174.5176-1113.6Q37Q37-R39 PolarHBondContact O-N 2.85Å
40L80.2Confident85.8Confident90 Ų9074 Ų7447%0.47136%0.356SS..  trans-11715.1-174.7-64173.1000112.9Q37 T42 V149Q37-L40 PolarHBondContact O-N 2.95Å; L40-T42 PolarHBondContact O-N 2.84Å; L40-V149 HydrophobicContact CB-CG1 4.16Å; L40-V149 HydrophobicContact CB-CG2 4.24Å
41S75.9Confident85Confident78 Ų7875.7 Ų75.755%0.54536%0.362SS..SBendtrans-58.7-29.3-176.7-44.10000113.6D38D38-S41 PolarHBondContact O-OG 2.86Å
42T84.7Confident84.1Confident32 Ų3274.7 Ų74.720%0.19636%0.357CS..SBendtrans-118.2105.4174.3-50.20000109.3L40 G44 I249 P250 A259L40-T42 PolarHBondContact O-N 2.84Å; T42-G44 PolarHBondContact O-N 3.3Å; T42-I249 HydrophobicContact CG2-CG2 3.75Å; T42-P250 WeakPolarHBondContact CG2-O 3.42Å; T42-P250 WeakPolarHBondContact OG1-CG 3.4Å; T42-A259 HydrophobicContact CG2-CB 3.87Å
43P88.3Confident83.3Confident3 Ų379.4 Ų79.42%0.01938%0.379CS..PPolyproline II helixtrans-62.9135.3174.827.1-35.8000110.5L146 V149 L152 I249 G260P43-L146 HydrophobicContact CB-CD1 3.89Å; P43-L146 HydrophobicContact CB-CG 4.26Å; P43-L146 HydrophobicContact CG-CD1 3.89Å; P43-L146 HydrophobicContact CG-CG 4.38Å; P43-V149 HydrophobicContact CB-CG2 4.18Å; P43-L152 HydrophobicContact CB-CD2 4.2Å; P43-L152 HydrophobicContact CG-CD2 3.82Å; P43-I249 HydrophobicContact CG-CD1 3.94Å; P43-G260 WeakPolarHBondContact O-CA 3.32Å; P43-G260 PolarHBondContact O-N 2.8Å; P43-G260 VanDerWaalsContact O-N 3.1Å
44G89.7Confident82.6Confident10 Ų1076.9 Ų76.910%0.10337%0.374CS..BIsolated β-bridgetrans-80.2157.6175.600000113.7T42 N147 F258T42-G44 PolarHBondContact O-N 3.3Å; G44-N147 WeakPolarHBondContact O-CB 3.5Å; G44-N147 PolarHBondContact O-N 3.34Å; G44-F258 WeakPolarHBondContact CA-O 3.32Å
45L90.7Very high82.4Confident2 Ų276.2 Ų76.21%0.0137%0.365CS..EExtended strand (participates in β ladder)trans-96.8147.8170.3-68.1-179.2000110.5I144 L146 V163 I244 V262L45-I144 HydrophobicContact CB-CG2 4.47Å; L45-I144 HydrophobicContact CD1-CG2 4.27Å; L45-I144 HydrophobicContact CD2-CG2 4.02Å; L45-L146 HydrophobicContact CD2-CB 3.98Å; L45-L146 HydrophobicContact CD2-CD1 3.52Å; L45-L146 HydrophobicContact CD2-CG 4.39Å; L45-L146 HydrophobicContact CG-CD1 4.38Å; L45-V163 HydrophobicContact CD1-CG1 4.31Å; L45-V163 HydrophobicContact CD1-CG2 4.45Å; L45-V163 HydrophobicContact CD2-CG2 4.49Å; L45-I244 HydrophobicContact CD1-CB 4.21Å; L45-I244 HydrophobicContact CD2-CB 4.41Å; L45-I244 HydrophobicContact CG-CB 4.43Å; L45-V262 HydrophobicContact CB-CB 3.88Å; L45-V262 HydrophobicContact CB-CG1 3.69Å; L45-V262 HydrophobicContact CD1-CG1 4.42Å
46V91.4Very high82.6Confident34 Ų3476.5 Ų76.521%0.20636%0.361CS..EExtended strand (participates in β ladder)trans-134.9143.3175-177.90000108.7K145 N147V46-K145 PolarHBondContact N-O 2.86Å; V46-K145 PolarHBondContact O-N 2.86Å; V46-N147 WeakPolarHBondContact CG2-OD1 3.43Å
47I93.9Very high83Confident2 Ų267.1 Ų67.11%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-102.3157175.263.9167000112.7F55 I57 I142 I143 I144 V262 F264I47-F55 HydrophobicContact CD1-CD1 4.25Å; I47-F55 HydrophobicContact CG1-CD1 3.93Å; I47-F55 HydrophobicContact CG1-CE1 4.38Å; I47-I57 HydrophobicContact CD1-CD1 4.31Å; I47-I142 HydrophobicContact CB-CG2 3.89Å; I47-I142 HydrophobicContact CD1-CG2 4.43Å; I47-I142 HydrophobicContact CG2-CG2 4.06Å; I47-I143 CarbonylContact C-O 3.56Å; I47-I143 WeakPolarHBondContact CA-O 3.49Å; I47-I144 HydrophobicContact CG2-CG1 4.44Å; I47-V262 HydrophobicContact CG2-CB 4.49Å; I47-V262 HydrophobicContact CG2-CG1 3.7Å; I47-V262 HydrophobicContact CG2-CG2 3.98Å; I47-F264 HydrophobicContact CD1-CB 3.5Å; I47-F264 HydrophobicContact CD1-CD1 3.76Å; I47-F264 HydrophobicContact CD1-CD2 4.07Å; I47-F264 HydrophobicContact CD1-CE1 4.48Å; I47-F264 HydrophobicContact CD1-CG 3.51Å; I47-F264 HydrophobicContact CG2-CD1 4Å; I47-F264 HydrophobicContact CG2-CE1 4.13Å
48R93.9Very high83.4Confident81 Ų8166.7 Ų66.731%0.30633%0.327SS..EExtended strand (participates in β ladder)trans-132.4142.5165.6-63.9-64.2-176.6-174.9-0.8108.9L74 F77 I143R48-L74 HydrophobicContact CB-CD2 4.18Å; R48-F77 HydrophobicContact CB-CD1 4.32Å; R48-F77 HydrophobicContact CB-CE1 4.43Å; R48-F77 HydrophobicContact CG-CD1 4.19Å; R48-F77 HydrophobicContact CG-CD2 4.2Å; R48-F77 HydrophobicContact CG-CE1 4.1Å; R48-F77 HydrophobicContact CG-CE2 4.11Å; R48-F77 HydrophobicContact CG-CG 4.24Å; R48-F77 HydrophobicContact CG-CZ 4.06Å; R48-I143 HydrophobicContact CB-CB 4.25Å; R48-I143 PolarHBondContact N-O 2.88Å; R48-I143 PolarHBondContact O-N 3.41Å
49P90.9Very high84.1Confident3 Ų361.1 Ų61.12%0.01930%0.298CS..  cis-76.61563.227.7-24.3000112.5Y70 A73 L74 Y135P49-Y70 HydrophobicContact CB-CD1 3.97Å; P49-Y70 HydrophobicContact CG-CD1 3.6Å; P49-Y70 HydrophobicContact CG-CG 4.01Å; P49-A73 HydrophobicContact CB-CB 4.03Å; P49-L74 HydrophobicContact CB-CD2 4.37Å; P49-L74 HydrophobicContact CB-CG 4.11Å; P49-L74 HydrophobicContact CG-CD1 4.2Å; P49-L74 HydrophobicContact CG-CD2 4.35Å; P49-L74 HydrophobicContact CG-CG 3.98Å; P49-Y135 WeakPolarHBondContact CD-OH 3.49Å; P49-Y135 VanDerWaalsContact CG-OH 3.24Å; P49-Y135 WeakPolarHBondContact CG-OH 3.31Å
50R80.6Confident85Confident100 Ų10051.1 Ų51.138%0.37726%0.263SS..  trans-125.5113174.3-173.6-17993.1135.35107.6D52 E53R50-D52 WeakPolarHBondContact CD-O 3.45Å; R50-D52 WeakPolarHBondContact CG-O 3.28Å; R50-D52 PolarHBondContact NE-O 2.86Å; R50-E53 IonicContact CZ-OE1 3.61Å; R50-E53 IonicContact NH1-OE1 3.58Å; R50-E53 PolarHBondContact NH1-OE1 3.25Å; R50-E53 IonicContact NH2-OE1 3.28Å; R50-E53 PolarHBondContact NH2-OE1 3.33Å; R50-E53 VanDerWaalsContact NH2-OE1 3.11Å
51Q68.3Low85.6Confident90 Ų9048.7 Ų48.742%0.42125%0.25SS..  trans-79.9-51.1178.3179.9179.8-17.200111M69 Y70Q51-M69 HydrophobicContact CB-CE 4.33Å; Q51-M69 HydrophobicContact CG-CE 3.47Å; Q51-M69 VanDerWaalsContact CG-CE 3.47Å; Q51-Y70 HydrophobicContact CB-CE1 4.04Å; Q51-Y70 PolarHBondContact OE1-OH 3.18Å
52D66.4Low86.5Confident88 Ų8849.4 Ų49.447%0.47125%0.245SC..SBendtrans-128.2-171.7-174.2-70.2-43.5000112.5R50 T54R50-D52 WeakPolarHBondContact CD-O 3.45Å; R50-D52 WeakPolarHBondContact CG-O 3.28Å; R50-D52 PolarHBondContact NE-O 2.86Å; D52-T54 PolarHBondContact O-N 3.33Å
53E66.2Low86.9Confident155 Ų15551.4 Ų51.472%0.72426%0.255SS*.SBendtrans-64-19.3169-72.3-79.7107.700112.2R50R50-E53 IonicContact CZ-OE1 3.61Å; R50-E53 IonicContact NH1-OE1 3.58Å; R50-E53 PolarHBondContact NH1-OE1 3.25Å; R50-E53 IonicContact NH2-OE1 3.28Å; R50-E53 PolarHBondContact NH2-OE1 3.33Å; R50-E53 VanDerWaalsContact NH2-OE1 3.11Å
54T71.1Confident87.1Confident75 Ų7555.2 Ų55.246%0.4628%0.278SS..SBendtrans-88.2132.417855.10000110.7D52 E56D52-T54 PolarHBondContact O-N 3.33Å; T54-E56 PolarHBondContact O-N 3.21Å
55F84.9Confident87.2Confident46 Ų4662.2 Ų62.220%0.20231%0.308CS..  trans-79.363.1176.3-69.2-82.2000110.2I47 F258 V262 S263 F264 K265I47-F55 HydrophobicContact CD1-CD1 4.25Å; I47-F55 HydrophobicContact CG1-CD1 3.93Å; I47-F55 HydrophobicContact CG1-CE1 4.38Å; F55-F258 AromaticContact CD2-CE1 3.83Å; F55-F258 HydrophobicContact CD2-CE1 3.83Å; F55-F258 HydrophobicContact CD2-CZ 4.01Å; F55-F258 HydrophobicContact CE2-CD1 4.32Å; F55-F258 AromaticContact CE2-CE1 3.28Å; F55-F258 HydrophobicContact CE2-CE1 3.28Å; F55-F258 AromaticContact CE2-CZ 3.46Å; F55-F258 HydrophobicContact CE2-CZ 3.46Å; F55-F258 VanDerWaalsContact CE2-CZ 3.46Å; F55-F258 HydrophobicContact CZ-CD1 4.46Å; F55-F258 AromaticContact CZ-CE1 3.79Å; F55-F258 HydrophobicContact CZ-CE1 3.79Å; F55-F258 HydrophobicContact CZ-CZ 4.31Å; F55-V262 HydrophobicContact CD1-CG2 4.21Å; F55-V262 HydrophobicContact CE1-CG2 4.17Å; F55-S263 WeakPolarHBondContact CB-O 3.42Å; F55-F264 HydrophobicContact CB-CB 3.84Å; F55-F264 CarbonylContact O-C 3.46Å; F55-F264 WeakPolarHBondContact O-CA 3.41Å; F55-F264 VanDerWaalsContact O-CB 3.23Å; F55-F264 WeakPolarHBondContact O-CB 3.13Å; F55-K265 PolarHBondContact O-N 3.29Å
56E90.7Very high87.3Confident89 Ų8963.1 Ų63.142%0.41632%0.315SS..EExtended strand (participates in β ladder)trans-128.3134.1-178.9-54.1-166.3162.100110.3T54 K265T54-E56 PolarHBondContact O-N 3.21Å; E56-K265 CarbonylContact C-O 3.56Å; E56-K265 WeakPolarHBondContact CA-O 3.33Å; E56-K265 HydrophobicContact CB-CB 4.29Å; E56-K265 HydrophobicContact CG-CB 3.94Å; E56-K265 HydrophobicContact CG-CD 4.26Å
57I92.8Very high87.3Confident2 Ų262 Ų621%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-122109.5175.6-62.1168.8000106.5I47 Y59 Y70 Y135 I142 K265 L266 R267I47-I57 HydrophobicContact CD1-CD1 4.31Å; I57-Y59 HydrophobicContact CG2-CD1 4.25Å; I57-Y70 HydrophobicContact CG1-CE1 4.45Å; I57-Y70 HydrophobicContact CG2-CD2 4.45Å; I57-Y70 HydrophobicContact CG2-CE1 4.2Å; I57-Y70 HydrophobicContact CG2-CE2 4.14Å; I57-Y135 HydrophobicContact CG2-CE1 4.22Å; I57-I142 HydrophobicContact CD1-CD1 3.64Å; I57-I142 HydrophobicContact CD1-CG1 4.11Å; I57-K265 PolarHBondContact N-O 2.95Å; I57-L266 HydrophobicContact CB-CD1 3.88Å; I57-L266 HydrophobicContact CG2-CD1 3.72Å; I57-L266 WeakPolarHBondContact O-CA 3.23Å; I57-R267 PolarHBondContact O-N 3.42Å
58V93.8Very high87.3Confident58 Ų5864.7 Ų64.735%0.35232%0.321SS..EExtended strand (participates in β ladder)trans-127.4123.6-179.7-174.40000108.4Y70 R267V58-Y70 PolarHBondContact N-OH 3.04Å; V58-Y70 PolarHBondContact O-OH 2.98Å; V58-R267 WeakPolarHBondContact CA-O 3.47Å; V58-R267 HydrophobicContact CB-CB 4.47Å; V58-R267 HydrophobicContact CG1-CB 4.1Å; V58-R267 HydrophobicContact CG1-CG 4.21Å; V58-R267 HydrophobicContact CG2-CB 4.09Å
59Y94.3Very high87.2Confident3 Ų364.6 Ų64.61%0.01233%0.325CS..EExtended strand (participates in β ladder)trans-150.4166.6175.572.3-85.3000111.5I57 I61 W67 Y135 P140 L266 R267 I268 N269I57-Y59 HydrophobicContact CG2-CD1 4.25Å; Y59-I61 HydrophobicContact CE2-CG1 4.22Å; Y59-W67 HydrophobicContact CD2-CB 3.77Å; Y59-W67 AromaticContact CD2-CD1 3.93Å; Y59-W67 HydrophobicContact CD2-CG 4.21Å; Y59-W67 HydrophobicContact CE2-CB 4.4Å; Y59-W67 HydrophobicContact CG-CB 4.06Å; Y59-Y135 AromaticContact CD1-CD1 3.79Å; Y59-Y135 HydrophobicContact CD1-CD1 3.79Å; Y59-Y135 AromaticContact CD1-CE1 3.92Å; Y59-Y135 HydrophobicContact CD1-CE1 3.92Å; Y59-Y135 HydrophobicContact CD2-CD1 4.24Å; Y59-Y135 AromaticContact CE1-CD1 3.5Å; Y59-Y135 HydrophobicContact CE1-CD1 3.5Å; Y59-Y135 AromaticContact CE1-CE1 3.73Å; Y59-Y135 HydrophobicContact CE1-CE1 3.73Å; Y59-Y135 AromaticContact CE2-CD1 4Å; Y59-Y135 HydrophobicContact CE2-CD1 4Å; Y59-Y135 WeakPolarHBondContact CE2-O 3.28Å; Y59-Y135 HydrophobicContact CG-CD1 4.13Å; Y59-Y135 AromaticContact CZ-CD1 3.6Å; Y59-P140 HydrophobicContact CE1-CB 4.25Å; Y59-P140 HydrophobicContact CE1-CG 4.22Å; Y59-P140 WeakPolarHBondContact OH-CD 3.41Å; Y59-L266 HydrophobicContact CE1-CD1 4.45Å; Y59-R267 PolarHBondContact N-O 2.9Å; Y59-R267 VanDerWaalsContact N-O 3.17Å; Y59-I268 HydrophobicContact CE1-CB 4.49Å; Y59-I268 HydrophobicContact CE1-CD1 4.17Å; Y59-I268 HydrophobicContact CE1-CG1 3.72Å; Y59-I268 HydrophobicContact CE1-CG2 4.44Å; Y59-I268 HydrophobicContact CE2-CG2 4Å; Y59-I268 WeakPolarHBondContact OH-CD1 3.19Å; Y59-N269 PolarHBondContact O-N 3.38Å
60T95.5Very high87.3Confident32 Ų3264.7 Ų64.720%0.19633%0.325CS..EExtended strand (participates in β ladder)trans-118.8126.6177.5-53.90000108.5Q62 N63 S66 N269T60-Q62 VanDerWaalsContact C-N 3.29Å; T60-Q62 PolarHBondContact O-N 2.91Å; T60-N63 HydrophobicContact CG2-CB 4.45Å; T60-N63 PolarHBondContact O-N 3.03Å; T60-N63 VanDerWaalsContact O-N 3.07Å; T60-N63 VanDerWaalsContact O-O 3.14Å; T60-S66 PolarHBondContact N-OG 2.8Å; T60-S66 PolarHBondContact O-OG 2.04Å; T60-N269 CarbonylContact C-O 3.58Å; T60-N269 WeakPolarHBondContact CA-O 3.48Å; T60-N269 HydrophobicContact CG2-CB 4.04Å
61I94.1Very high88Confident39 Ų3960.1 Ų60.120%0.231%0.309CS..THydrogen-bonded Turntrans-55.8-45.4-175.1-64.5173.1000111.2Y59 N63 W67 Q136 I268 N269Y59-I61 HydrophobicContact CE2-CG1 4.22Å; I61-N63 VanDerWaalsContact C-N 3.31Å; I61-N63 PolarHBondContact O-N 2.85Å; I61-W67 PolarHBondContact O-NE1 2.88Å; I61-Q136 WeakPolarHBondContact CG2-O 3.21Å; I61-I268 HydrophobicContact CD1-CG2 3.7Å; I61-I268 HydrophobicContact CG1-CG2 3.62Å; I61-N269 PolarHBondContact N-O 3.24Å
62Q93.7Very high89.2Confident94 Ų9459.6 Ų59.644%0.43931%0.306SS..THydrogen-bonded Turntrans-70.8-24.1-177.8-62.977.813.500113.3T60 S270 Q271T60-Q62 VanDerWaalsContact C-N 3.29Å; T60-Q62 PolarHBondContact O-N 2.91Å; Q62-S270 PolarHBondContact NE2-OG 3.35Å; Q62-Q271 VanDerWaalsContact OE1-N 3.13Å
63N93.8Very high90.5Very high74 Ų7457.3 Ų57.340%0.39630%0.3SS..  trans-96.199.6-179.5-176.41.8000110.3T60 I61 E65 S66T60-N63 HydrophobicContact CG2-CB 4.45Å; T60-N63 PolarHBondContact O-N 3.03Å; T60-N63 VanDerWaalsContact O-N 3.07Å; T60-N63 VanDerWaalsContact O-O 3.14Å; I61-N63 VanDerWaalsContact C-N 3.31Å; I61-N63 PolarHBondContact O-N 2.85Å; N63-E65 VanDerWaalsContact C-N 3.29Å; N63-E65 PolarHBondContact O-N 2.84Å; N63-E65 PolarHBondContact OD1-N 3.23Å; N63-S66 WeakPolarHBondContact O-CB 3.49Å; N63-S66 PolarHBondContact O-N 3.21Å; N63-S66 VanDerWaalsContact O-N 3.1Å; N63-S66 PolarHBondContact O-OG 3.03Å
64T93.5Very high91.9Very high83 Ų8350 Ų5051%0.50927%0.265SS..Hα-helixtrans-57.5-38.7-177.656.10000113.2S66 W67 D68T64-S66 PolarHBondContact O-N 3.28Å; T64-W67 HydrophobicContact CG2-CH2 4.43Å; T64-W67 HydrophobicContact CG2-CZ2 3.75Å; T64-W67 PolarHBondContact O-N 3.22Å; T64-D68 VanDerWaalsContact O-CB 3.24Å; T64-D68 WeakPolarHBondContact O-CB 3.17Å; T64-D68 PolarHBondContact O-N 3.17Å
65E91.3Very high93Very high156 Ų15650 Ų5073%0.72926%0.262SS*.Hα-helixtrans-63.4-31.3-179.4-64-175167.600112.2N63 W67N63-E65 VanDerWaalsContact C-N 3.29Å; N63-E65 PolarHBondContact O-N 2.84Å; N63-E65 PolarHBondContact OD1-N 3.23Å; E65-W67 VanDerWaalsContact C-N 3.31Å; E65-W67 PolarHBondContact O-N 2.84Å
66S91.6Very high93.5Very high22 Ų2256.1 Ų56.115%0.15428%0.284CS..Hα-helixtrans-67.3-30.9-177.374.60000113.2T60 N63 T64 Y70T60-S66 PolarHBondContact N-OG 2.8Å; T60-S66 PolarHBondContact O-OG 2.04Å; N63-S66 WeakPolarHBondContact O-CB 3.49Å; N63-S66 PolarHBondContact O-N 3.21Å; N63-S66 VanDerWaalsContact O-N 3.1Å; N63-S66 PolarHBondContact O-OG 3.03Å; T64-S66 PolarHBondContact O-N 3.28Å; S66-Y70 WeakPolarHBondContact O-CE2 3.22Å
67W92.8Very high93.7Very high10 Ų1053.6 Ų53.64%0.03827%0.272CS..Hα-helixtrans-107.7-20.6179.955.8-106.5000114.6Y59 I61 T64 E65 M69 Y70 A71 Y132 Y135 Q136Y59-W67 HydrophobicContact CD2-CB 3.77Å; Y59-W67 AromaticContact CD2-CD1 3.93Å; Y59-W67 HydrophobicContact CD2-CG 4.21Å; Y59-W67 HydrophobicContact CE2-CB 4.4Å; Y59-W67 HydrophobicContact CG-CB 4.06Å; I61-W67 PolarHBondContact O-NE1 2.88Å; T64-W67 HydrophobicContact CG2-CH2 4.43Å; T64-W67 HydrophobicContact CG2-CZ2 3.75Å; T64-W67 PolarHBondContact O-N 3.22Å; E65-W67 VanDerWaalsContact C-N 3.31Å; E65-W67 PolarHBondContact O-N 2.84Å; W67-M69 PolarHBondContact O-N 2.78Å; W67-Y70 WeakPolarHBondContact O-CB 3.26Å; W67-Y70 PolarHBondContact O-N 2.92Å; W67-A71 PolarHBondContact O-N 3.42Å; W67-A71 VanDerWaalsContact O-N 3.09Å; W67-Y132 HydrophobicContact CE3-CD1 4.37Å; W67-Y132 AromaticContact CH2-CD1 3.74Å; W67-Y132 HydrophobicContact CH2-CD1 3.74Å; W67-Y132 HydrophobicContact CH2-CD2 4.34Å; W67-Y132 AromaticContact CH2-CE1 3.96Å; W67-Y132 HydrophobicContact CH2-CE1 3.96Å; W67-Y132 AromaticContact CH2-CG 3.91Å; W67-Y132 HydrophobicContact CH2-CG 3.91Å; W67-Y132 AromaticContact CZ3-CD1 3.29Å; W67-Y132 HydrophobicContact CZ3-CD1 3.29Å; W67-Y132 AromaticContact CZ3-CE1 3.82Å; W67-Y132 HydrophobicContact CZ3-CE1 3.82Å; W67-Y132 AromaticContact CZ3-CG 3.7Å; W67-Y132 HydrophobicContact CZ3-CG 3.7Å; W67-Y135 HydrophobicContact CB-CD1 3.76Å; W67-Y135 HydrophobicContact CB-CG 4.06Å; W67-Q136 HydrophobicContact CH2-CB 4.42Å; W67-Q136 HydrophobicContact CZ2-CB 4.11Å; W67-Q136 HydrophobicContact CZ2-CG 4.23Å
68D93.4Very high93.9Very high58 Ų5853.5 Ų53.531%0.3127%0.271SS..Hα-helixtrans-59-35177.9-174.554000111.4T64 Y70 A71 Q72T64-D68 VanDerWaalsContact O-CB 3.24Å; T64-D68 WeakPolarHBondContact O-CB 3.17Å; T64-D68 PolarHBondContact O-N 3.17Å; D68-Y70 VanDerWaalsContact C-N 3.31Å; D68-Y70 PolarHBondContact O-N 3.36Å; D68-A71 PolarHBondContact O-N 2.91Å; D68-Q72 WeakPolarHBondContact O-CB 3.48Å; D68-Q72 VanDerWaalsContact O-CG 3.31Å; D68-Q72 WeakPolarHBondContact O-CG 3.36Å; D68-Q72 PolarHBondContact O-N 3.27Å; D68-Q72 PolarHBondContact OD2-NE2 2.94Å
69M91.9Very high93.9Very high79 Ų7953.2 Ų53.239%0.38927%0.272SS..Hα-helixtrans-60.2-37.7173.965.7-178.8-62.900113.7Q51 W67 A73Q51-M69 HydrophobicContact CB-CE 4.33Å; Q51-M69 HydrophobicContact CG-CE 3.47Å; Q51-M69 VanDerWaalsContact CG-CE 3.47Å; W67-M69 PolarHBondContact O-N 2.78Å; M69-A73 VanDerWaalsContact O-CB 3.31Å; M69-A73 WeakPolarHBondContact O-CB 3.38Å; M69-A73 PolarHBondContact O-N 3.45Å
70Y93.7Very high94Very high5 Ų556.3 Ų56.32%0.0229%0.292CS..Hα-helixtrans-72-42.5177.4-66.4-59.7000110.7P49 Q51 I57 V58 S66 W67 D68 A73 L74 Y135P49-Y70 HydrophobicContact CB-CD1 3.97Å; P49-Y70 HydrophobicContact CG-CD1 3.6Å; P49-Y70 HydrophobicContact CG-CG 4.01Å; Q51-Y70 HydrophobicContact CB-CE1 4.04Å; Q51-Y70 PolarHBondContact OE1-OH 3.18Å; I57-Y70 HydrophobicContact CG1-CE1 4.45Å; I57-Y70 HydrophobicContact CG2-CD2 4.45Å; I57-Y70 HydrophobicContact CG2-CE1 4.2Å; I57-Y70 HydrophobicContact CG2-CE2 4.14Å; V58-Y70 PolarHBondContact N-OH 3.04Å; V58-Y70 PolarHBondContact O-OH 2.98Å; S66-Y70 WeakPolarHBondContact O-CE2 3.22Å; W67-Y70 WeakPolarHBondContact O-CB 3.26Å; W67-Y70 PolarHBondContact O-N 2.92Å; D68-Y70 VanDerWaalsContact C-N 3.31Å; D68-Y70 PolarHBondContact O-N 3.36Å; Y70-A73 PolarHBondContact O-N 3.29Å; Y70-L74 WeakPolarHBondContact O-CG 3.34Å; Y70-L74 PolarHBondContact O-N 2.84Å; Y70-Y135 HydrophobicContact CD2-CD1 4.34Å; Y70-Y135 AromaticContact CD2-CE1 3.79Å; Y70-Y135 HydrophobicContact CD2-CE1 3.79Å; Y70-Y135 AromaticContact CG-CE1 3.97Å; Y70-Y135 HydrophobicContact CG-CE1 3.97Å
71A94.2Very high94Very high4 Ų455.6 Ų55.63%0.03329%0.286CS..Hα-helixtrans-61.7-46.217600000111.8W67 D68 A73 L74 D75 Y133W67-A71 PolarHBondContact O-N 3.42Å; W67-A71 VanDerWaalsContact O-N 3.09Å; D68-A71 PolarHBondContact O-N 2.91Å; A71-A73 VanDerWaalsContact C-N 3.34Å; A71-A73 PolarHBondContact O-N 3.04Å; A71-L74 PolarHBondContact O-N 3.27Å; A71-D75 PolarHBondContact O-N 3.09Å; A71-Y133 HydrophobicContact CB-CD2 4.03Å; A71-Y133 HydrophobicContact CB-CE2 4.48Å; A71-Y133 WeakPolarHBondContact O-CE2 3.27Å
72Q93.9Very high94.1Very high80 Ų8055.7 Ų55.737%0.37429%0.287SS..Hα-helixtrans-62.4-40.3175.3-71.3-174.530.500112.2D68 L74 D75 R76D68-Q72 WeakPolarHBondContact O-CB 3.48Å; D68-Q72 VanDerWaalsContact O-CG 3.31Å; D68-Q72 WeakPolarHBondContact O-CG 3.36Å; D68-Q72 PolarHBondContact O-N 3.27Å; D68-Q72 PolarHBondContact OD2-NE2 2.94Å; Q72-L74 VanDerWaalsContact C-N 3.34Å; Q72-D75 PolarHBondContact O-N 2.98Å; Q72-R76 WeakPolarHBondContact O-CB 3.43Å; Q72-R76 VanDerWaalsContact O-CG 3.29Å; Q72-R76 WeakPolarHBondContact O-CG 3.4Å; Q72-R76 PolarHBondContact O-N 3.34Å
73A93.9Very high94.1Very high40 Ų4053.7 Ų53.733%0.33128%0.28SS..Hα-helixtrans-64.3-39.917700000111.8P49 M69 Y70 A71 F77P49-A73 HydrophobicContact CB-CB 4.03Å; M69-A73 VanDerWaalsContact O-CB 3.31Å; M69-A73 WeakPolarHBondContact O-CB 3.38Å; M69-A73 PolarHBondContact O-N 3.45Å; Y70-A73 PolarHBondContact O-N 3.29Å; A71-A73 VanDerWaalsContact C-N 3.34Å; A71-A73 PolarHBondContact O-N 3.04Å; A73-F77 VanDerWaalsContact O-CB 3.24Å; A73-F77 WeakPolarHBondContact O-CB 3.31Å; A73-F77 PolarHBondContact O-N 3.24Å
74L95.3Very high94.2Very high0 Ų054 Ų540%029%0.288CS..Hα-helixtrans-65.2-45.3174.3-76172.8000111.8R48 P49 Y70 A71 Q72 F77 L78 Y133 Y135 I143R48-L74 HydrophobicContact CB-CD2 4.18Å; P49-L74 HydrophobicContact CB-CD2 4.37Å; P49-L74 HydrophobicContact CB-CG 4.11Å; P49-L74 HydrophobicContact CG-CD1 4.2Å; P49-L74 HydrophobicContact CG-CD2 4.35Å; P49-L74 HydrophobicContact CG-CG 3.98Å; Y70-L74 WeakPolarHBondContact O-CG 3.34Å; Y70-L74 PolarHBondContact O-N 2.84Å; A71-L74 PolarHBondContact O-N 3.27Å; Q72-L74 VanDerWaalsContact C-N 3.34Å; L74-F77 WeakPolarHBondContact O-CB 3.26Å; L74-F77 PolarHBondContact O-N 2.83Å; L74-L78 WeakPolarHBondContact O-CB 3.42Å; L74-L78 WeakPolarHBondContact O-CG 3.43Å; L74-L78 PolarHBondContact O-N 2.84Å; L74-Y133 HydrophobicContact CB-CD1 4.35Å; L74-Y133 HydrophobicContact CB-CD2 4.06Å; L74-Y133 HydrophobicContact CB-CE1 4.1Å; L74-Y133 HydrophobicContact CB-CE2 3.8Å; L74-Y133 HydrophobicContact CB-CG 4.32Å; L74-Y133 HydrophobicContact CD1-CD1 3.98Å; L74-Y133 HydrophobicContact CD1-CD2 3.99Å; L74-Y133 HydrophobicContact CD1-CG 3.67Å; L74-Y135 HydrophobicContact CD1-CE2 3.94Å; L74-I143 HydrophobicContact CD2-CD1 3.64Å; L74-I143 HydrophobicContact CD2-CG1 3.94Å
75D94.9Very high94.3Very high75 Ų7552.1 Ų52.140%0.40127%0.274SS..Hα-helixtrans-65.2-43.8-179.8-169.366.3000112.3A71 Q72 F77 L78 S79 R119 Y133A71-D75 PolarHBondContact O-N 3.09Å; Q72-D75 PolarHBondContact O-N 2.98Å; D75-F77 VanDerWaalsContact C-N 3.28Å; D75-F77 PolarHBondContact O-N 2.97Å; D75-L78 PolarHBondContact O-N 3.38Å; D75-S79 PolarHBondContact O-N 2.84Å; D75-R119 IonicContact OD1-CZ 3.54Å; D75-R119 IonicContact OD1-NH1 3.35Å; D75-R119 PolarHBondContact OD1-NH1 2.9Å; D75-R119 IonicContact OD1-NH2 2.85Å; D75-R119 PolarHBondContact OD1-NH2 2.97Å; D75-Y133 VanDerWaalsContact CA-OH 3.26Å; D75-Y133 WeakPolarHBondContact CA-OH 3.4Å; D75-Y133 HydrophobicContact CB-CE2 4.35Å; D75-Y133 PolarHBondContact N-OH 2.84Å; D75-Y133 PolarHBondContact OD1-OH 2.93Å
76R95.1Very high94.5Very high176 Ų17644.9 Ų44.966%0.66424%0.24SC*.Hα-helixtrans-60.2-39.2172.7-70.9176.8-167.71599.8111.9Q72Q72-R76 WeakPolarHBondContact O-CB 3.43Å; Q72-R76 VanDerWaalsContact O-CG 3.29Å; Q72-R76 WeakPolarHBondContact O-CG 3.4Å; Q72-R76 PolarHBondContact O-N 3.34Å
77F95.3Very high94.6Very high35 Ų3546.8 Ų46.815%0.15426%0.257CS..Hα-helixtrans-68.4-37.9177.8172-104.3000112.6R48 A73 L74 D75 P80 Y81 I143 K145 L224R48-F77 HydrophobicContact CB-CD1 4.32Å; R48-F77 HydrophobicContact CB-CE1 4.43Å; R48-F77 HydrophobicContact CG-CD1 4.19Å; R48-F77 HydrophobicContact CG-CD2 4.2Å; R48-F77 HydrophobicContact CG-CE1 4.1Å; R48-F77 HydrophobicContact CG-CE2 4.11Å; R48-F77 HydrophobicContact CG-CG 4.24Å; R48-F77 HydrophobicContact CG-CZ 4.06Å; A73-F77 VanDerWaalsContact O-CB 3.24Å; A73-F77 WeakPolarHBondContact O-CB 3.31Å; A73-F77 PolarHBondContact O-N 3.24Å; L74-F77 WeakPolarHBondContact O-CB 3.26Å; L74-F77 PolarHBondContact O-N 2.83Å; D75-F77 VanDerWaalsContact C-N 3.28Å; D75-F77 PolarHBondContact O-N 2.97Å; F77-P80 WeakPolarHBondContact O-CD 3.24Å; F77-Y81 HydrophobicContact CZ-CE2 4.32Å; F77-I143 HydrophobicContact CD1-CD1 4.24Å; F77-I143 HydrophobicContact CE1-CD1 4.27Å; F77-I143 HydrophobicContact CE1-CG2 4.16Å; F77-K145 HydrophobicContact CZ-CD 4.28Å; F77-L224 HydrophobicContact CE1-CD1 3.78Å; F77-L224 HydrophobicContact CE1-CD2 4.08Å; F77-L224 HydrophobicContact CZ-CD1 4.2Å; F77-L224 HydrophobicContact CZ-CD2 3.82Å
78L95.8Very high94.6Very high0 Ų054 Ų540%029%0.291CS..Hα-helixtrans-84.2-15-178.3-72.9179.2000114.1L74 D75 P80 Y81 L122 S126 Y133 I143 L224L74-L78 WeakPolarHBondContact O-CB 3.42Å; L74-L78 WeakPolarHBondContact O-CG 3.43Å; L74-L78 PolarHBondContact O-N 2.84Å; D75-L78 PolarHBondContact O-N 3.38Å; L78-P80 VanDerWaalsContact C-CD 3.46Å; L78-P80 VanDerWaalsContact C-N 3.34Å; L78-Y81 HydrophobicContact CD2-CD2 4.26Å; L78-Y81 WeakPolarHBondContact O-CA 3.44Å; L78-Y81 WeakPolarHBondContact O-CB 3.47Å; L78-Y81 PolarHBondContact O-N 3.29Å; L78-L122 HydrophobicContact CD1-CD1 4.29Å; L78-L122 HydrophobicContact CD2-CD1 3.72Å; L78-S126 WeakPolarHBondContact CD1-O 3.31Å; L78-Y133 HydrophobicContact CD1-CE1 3.71Å; L78-I143 HydrophobicContact CD1-CD1 3.87Å; L78-I143 HydrophobicContact CD2-CD1 3.81Å; L78-I143 HydrophobicContact CG-CD1 3.94Å; L78-L224 HydrophobicContact CD2-CD1 3.72Å
79S95.1Very high94.6Very high53 Ų5356.7 Ų56.737%0.37130%0.3SS..G310 helixtrans-48.3-44.8178.9175.30000114.2D75 Y81 N82 I85D75-S79 PolarHBondContact O-N 2.84Å; S79-Y81 PolarHBondContact O-N 3.02Å; S79-N82 WeakPolarHBondContact O-CB 3.33Å; S79-N82 VanDerWaalsContact O-CG 3.29Å; S79-N82 PolarHBondContact O-N 2.87Å; S79-N82 PolarHBondContact O-ND2 3.34Å; S79-I85 WeakPolarHBondContact O-CD1 3.32Å
80P95.1Very high94.7Very high67 Ų6753.6 Ų53.644%0.43529%0.286SS..G310 helixtrans-65.9-19.2176.3-20.534.2000114.9F77 L78 Q86F77-P80 WeakPolarHBondContact O-CD 3.24Å; L78-P80 VanDerWaalsContact C-CD 3.46Å; L78-P80 VanDerWaalsContact C-N 3.34Å; P80-Q86 PolarHBondContact O-NE2 2.99Å
81Y96.1Very high94.7Very high17 Ų1756.9 Ų56.97%0.06730%0.301CS..G310 helixtrans-90.8-0-178.9-63.6-87.7000113.2F77 L78 S79 D83 F117 R119 Q222 L224F77-Y81 HydrophobicContact CZ-CE2 4.32Å; L78-Y81 HydrophobicContact CD2-CD2 4.26Å; L78-Y81 WeakPolarHBondContact O-CA 3.44Å; L78-Y81 WeakPolarHBondContact O-CB 3.47Å; L78-Y81 PolarHBondContact O-N 3.29Å; S79-Y81 PolarHBondContact O-N 3.02Å; Y81-D83 PolarHBondContact O-N 3.18Å; Y81-F117 HydrophobicContact CD1-CB 4Å; Y81-F117 AromaticContact CD1-CD1 3.54Å; Y81-F117 HydrophobicContact CD1-CD1 3.54Å; Y81-F117 HydrophobicContact CD1-CE1 4.47Å; Y81-F117 HydrophobicContact CD1-CG 4.11Å; Y81-F117 HydrophobicContact CE1-CB 4.26Å; Y81-F117 HydrophobicContact CE1-CD1 4.06Å; Y81-F117 HydrophobicContact CE1-CG 4.36Å; Y81-F117 HydrophobicContact CG-CD1 4.37Å; Y81-R119 WeakPolarHBondContact O-CB 3.44Å; Y81-R119 PolarHBondContact O-N 3.39Å; Y81-Q222 VanDerWaalsContact CE1-O 3.31Å; Y81-Q222 WeakPolarHBondContact CE1-O 3.24Å; Y81-Q222 PolarHBondContact OH-O 3.17Å; Y81-L224 HydrophobicContact CD1-CD1 4.23Å; Y81-L224 HydrophobicContact CD2-CD1 4.09Å; Y81-L224 HydrophobicContact CE1-CD1 3.98Å; Y81-L224 HydrophobicContact CE1-CG 4.21Å; Y81-L224 HydrophobicContact CE2-CD1 3.84Å; Y81-L224 HydrophobicContact CG-CD1 4.26Å
82N95.6Very high94.6Very high42 Ų4264.1 Ų64.123%0.22533%0.334CS..  trans-55.6134.5174.1-71.8-21.7000110.6S79 S84 I85 Q86 R119S79-N82 WeakPolarHBondContact O-CB 3.33Å; S79-N82 VanDerWaalsContact O-CG 3.29Å; S79-N82 PolarHBondContact O-N 2.87Å; S79-N82 PolarHBondContact O-ND2 3.34Å; N82-S84 PolarHBondContact O-N 2.81Å; N82-S84 VanDerWaalsContact O-N 3.13Å; N82-I85 HydrophobicContact CB-CD1 4.27Å; N82-I85 HydrophobicContact CB-CG1 4.43Å; N82-I85 WeakPolarHBondContact O-CA 3.34Å; N82-I85 WeakPolarHBondContact O-CB 3.37Å; N82-I85 PolarHBondContact O-N 2.92Å; N82-Q86 PolarHBondContact O-N 3.5Å; N82-R119 WeakPolarHBondContact OD1-CD 3.34Å; N82-R119 PolarHBondContact OD1-NH1 2.85Å
83D94.5Very high94.6Very high51 Ų5161.2 Ų61.227%0.27332%0.322SS..Hα-helixtrans-55.9-37.1-171.1-60.220.4000112.3Y81 I85 Q86 A87 N118 R119 T120Y81-D83 PolarHBondContact O-N 3.18Å; D83-I85 PolarHBondContact O-N 2.84Å; D83-Q86 PolarHBondContact O-N 3.25Å; D83-A87 VanDerWaalsContact O-CB 3.26Å; D83-A87 WeakPolarHBondContact O-CB 3.48Å; D83-A87 PolarHBondContact O-N 3.34Å; D83-N118 WeakPolarHBondContact OD1-CB 3.29Å; D83-R119 PolarHBondContact OD1-N 3.39Å; D83-T120 WeakPolarHBondContact OD2-CG2 3.29Å; D83-T120 PolarHBondContact OD2-OG1 2.83Å
84S95.1Very high94.5Very high81 Ų8163.5 Ų63.557%0.56633%0.332SS*.Hα-helixtrans-64.8-37.3175.558.20000113.5N82 Q88N82-S84 PolarHBondContact O-N 2.81Å; N82-S84 VanDerWaalsContact O-N 3.13Å; S84-Q88 VanDerWaalsContact O-CG 3.28Å; S84-Q88 WeakPolarHBondContact O-CG 3.36Å; S84-Q88 PolarHBondContact O-N 2.82Å
85I94.9Very high94.3Very high44 Ų4467.3 Ų67.323%0.22636%0.357CS..Hα-helixtrans-74.2-40.3177.7-65.4175.1000109.9S79 N82 D83 Q88 K89S79-I85 WeakPolarHBondContact O-CD1 3.32Å; N82-I85 HydrophobicContact CB-CD1 4.27Å; N82-I85 HydrophobicContact CB-CG1 4.43Å; N82-I85 WeakPolarHBondContact O-CA 3.34Å; N82-I85 WeakPolarHBondContact O-CB 3.37Å; N82-I85 PolarHBondContact O-N 2.92Å; D83-I85 PolarHBondContact O-N 2.84Å; I85-Q88 PolarHBondContact O-N 3.38Å; I85-K89 HydrophobicContact CG2-CD 3.88Å; I85-K89 HydrophobicContact CG2-CG 4.45Å; I85-K89 WeakPolarHBondContact O-CB 3.39Å; I85-K89 WeakPolarHBondContact O-CG 3.42Å; I85-K89 PolarHBondContact O-N 3.09Å
86Q95.6Very high94.1Very high3 Ų370.9 Ų70.91%0.01437%0.371CS..Hα-helixtrans-64.1-46.2177.4-68.3-66.8-50.200111.1P80 N82 D83 Q88 K89 N90 Q116 F117 S221P80-Q86 PolarHBondContact O-NE2 2.99Å; N82-Q86 PolarHBondContact O-N 3.5Å; D83-Q86 PolarHBondContact O-N 3.25Å; Q86-Q88 PolarHBondContact O-N 3.29Å; Q86-K89 PolarHBondContact O-N 2.02Å; Q86-N90 WeakPolarHBondContact O-CA 2.96Å; Q86-N90 WeakPolarHBondContact O-CB 3.45Å; Q86-N90 PolarHBondContact O-N 3.31Å; Q86-N90 PolarHBondContact OE1-ND2 3.04Å; Q86-Q116 HydrophobicContact CB-CB 4.25Å; Q86-Q116 HydrophobicContact CB-CG 4.19Å; Q86-F117 WeakPolarHBondContact CG-O 3.33Å; Q86-S221 PolarHBondContact NE2-OG 3.06Å; Q86-S221 PolarHBondContact OE1-OG 3.01Å
87A94.3Very high93.9Very high62 Ų6268.5 Ų68.551%0.51237%0.368SS..Hα-helixtrans-58.7-33.6176.100000113.1D83D83-A87 VanDerWaalsContact O-CB 3.26Å; D83-A87 WeakPolarHBondContact O-CB 3.48Å; D83-A87 PolarHBondContact O-N 3.34Å
88Q93.9Very high93.7Very high161 Ų16169.9 Ų69.975%0.75237%0.372SS*.Hα-helixtrans-78.8-35.2177.6-73.5176.22.100113.7S84 I85 Q86S84-Q88 VanDerWaalsContact O-CG 3.28Å; S84-Q88 WeakPolarHBondContact O-CG 3.36Å; S84-Q88 PolarHBondContact O-N 2.82Å; I85-Q88 PolarHBondContact O-N 3.38Å; Q86-Q88 PolarHBondContact O-N 3.29Å
89K92.2Very high93.6Very high115 Ų11571.9 Ų71.950%0.538%0.381SS..Hα-helixtrans-102.8-24.8-168.4-69.1-173.1-179.1179.80114.7I85 Q86 N219I85-K89 HydrophobicContact CG2-CD 3.88Å; I85-K89 HydrophobicContact CG2-CG 4.45Å; I85-K89 WeakPolarHBondContact O-CB 3.39Å; I85-K89 WeakPolarHBondContact O-CG 3.42Å; I85-K89 PolarHBondContact O-N 3.09Å; Q86-K89 PolarHBondContact O-N 2.02Å; K89-N219 HydrophobicContact CB-CB 4.17Å; K89-N219 PolarHBondContact O-ND2 3.42Å
90N94.2Very high93.4Very high15 Ų1574.1 Ų74.18%0.0839%0.388CS..SBendtrans-128.8164.7-168.2-69.4-29.1000111.5Q86 S114 Q116 N219 S221Q86-N90 WeakPolarHBondContact O-CA 2.96Å; Q86-N90 WeakPolarHBondContact O-CB 3.45Å; Q86-N90 PolarHBondContact O-N 3.31Å; Q86-N90 PolarHBondContact OE1-ND2 3.04Å; N90-S114 WeakPolarHBondContact CB-O 3.41Å; N90-S114 WeakPolarHBondContact OD1-CB 3.36Å; N90-Q116 HydrophobicContact CB-CB 4.35Å; N90-Q116 HydrophobicContact CB-CG 3.58Å; N90-Q116 PolarHBondContact O-NE2 2.78Å; N90-N219 PolarHBondContact ND2-O 3.27Å; N90-N219 VanDerWaalsContact OD1-CB 3.28Å; N90-N219 WeakPolarHBondContact OD1-CB 3.05Å; N90-N219 PolarHBondContact OD1-O 3.19Å; N90-N219 VanDerWaalsContact OD1-O 3.07Å; N90-S221 PolarHBondContact ND2-OG 3.07Å
91H93Very high93Very high73 Ų7371.9 Ų71.934%0.33837%0.372SS..BIsolated β-bridgetrans-100.9146.9-176-170.8-85.1000111.2C93 R113 S114 C115 Q116H91-C93 PolarHBondContact O-N 2.85Å; H91-R113 HydrophobicContact CB-CB 4.34Å; H91-R113 PolarHBondContact CD2-NH1 2.99Å; H91-R113 PolarHBondContact NE2-NH1 2.84Å; H91-S114 PolarHBondContact N-O 3.05Å; H91-C115 CarbonylContact O-C 3.38Å; H91-C115 WeakPolarHBondContact O-CA 3.4Å; H91-Q116 WeakPolarHBondContact O-CG 3.4Å; H91-Q116 PolarHBondContact O-N 3.34Å
92E93.8Very high92.4Very high157 Ų15778.8 Ų78.873%0.73441%0.405SS*.  trans-76.1115.4172.9-169.9171.2-168.800109.5
93C93.1Very high91.8Very high19 Ų1980.2 Ų80.213%0.12841%0.413CS..PPolyproline II helixtrans-102.4157-175.7-67.10000111.4H91 P95 C115 M207H91-C93 PolarHBondContact O-N 2.85Å; C93-P95 WeakPolarHBondContact O-CD 3.37Å; C93-C115 HydrophobicContact CB-CB 3.68Å; C93-C115 WeakPolarHBondContact CB-SG 2.99Å; C93-C115 WeakPolarHBondContact SG-CA 3.41Å; C93-C115 WeakPolarHBondContact SG-CB 3.24Å; C93-C115 CovalentContact SG-SG 2.02Å; C93-C115 PolarHBondContact SG-SG 2.83Å; C93-M207 HydrophobicContact CB-CB 4.02Å; C93-M207 HydrophobicContact CB-CG 4.31Å; C93-M207 HydrophobicContact CB-SD 3.83Å
94T92.4Very high90.9Very high88 Ų8882.5 Ų82.554%0.5443%0.432SS..PPolyproline II helixtrans-78.3121.1174.347.70000110.1M207T94-M207 VanDerWaalsContact O-CB 3.29Å; T94-M207 WeakPolarHBondContact O-CB 3.49Å
95P91.4Very high89.8Confident79 Ų7982 Ų8251%0.51344%0.44SS..THydrogen-bonded Turntrans-57.8161176.2-25.636000113.4C93 Q97 D205 M207C93-P95 WeakPolarHBondContact O-CD 3.37Å; P95-Q97 PolarHBondContact O-N 3.27Å; P95-D205 WeakPolarHBondContact CB-OD2 3.47Å; P95-M207 HydrophobicContact CB-CE 4.23Å; P95-M207 HydrophobicContact CG-CE 4.13Å
96E89.2Confident88.7Confident151 Ų15188.2 Ų88.271%0.70647%0.474SS*.THydrogen-bonded Turntrans64.11.9173.4-54-177.3166.400116.2D205E96-D205 PolarHBondContact N-OD1 3.3Å; E96-D205 PolarHBondContact N-OD2 3.28Å
97Q90.6Very high87.6Confident126 Ų12692.9 Ų92.959%0.58950%0.503SS*.SBendtrans-124.7142.6-179.9-63.1-176.12.700110.9P95 F99 L206 M207P95-Q97 PolarHBondContact O-N 3.27Å; Q97-F99 PolarHBondContact O-N 2.69Å; Q97-L206 CarbonylContact O-C 3.49Å; Q97-M207 WeakPolarHBondContact O-CA 3.45Å; Q97-M207 PolarHBondContact O-N 2.73Å; Q97-M207 VanDerWaalsContact O-N 3.16Å
98Y92.2Very high86.7Confident63 Ų6394.4 Ų94.425%0.24750%0.498CS..  trans-63.6135174.1-68.6-63.7000111.5L100 M153 P154 G155 L206 Y209Y98-L100 VanDerWaalsContact C-N 3.27Å; Y98-L100 PolarHBondContact O-N 2.81Å; Y98-M153 HydrophobicContact CD1-CG 4.38Å; Y98-M153 HydrophobicContact CE1-CB 3.86Å; Y98-M153 HydrophobicContact CE1-CG 4.21Å; Y98-M153 PolarHBondContact OH-O 2.89Å; Y98-P154 PolarHBondContact OH-O 2.99Å; Y98-G155 PolarHBondContact OH-O 3.17Å; Y98-G155 VanDerWaalsContact OH-O 3.14Å; Y98-L206 HydrophobicContact CD1-CB 4.14Å; Y98-L206 HydrophobicContact CE1-CB 4.2Å; Y98-L206 HydrophobicContact CE1-CD2 3.77Å; Y98-L206 HydrophobicContact CE1-CG 4.42Å; Y98-Y209 WeakPolarHBondContact CA-O 3.4Å
99F92.5Very high85.9Confident43 Ų4389.9 Ų89.919%0.18948%0.479CS..  trans-87.169.9177.3-171.8-130.2000111.3Q97 Q101 R113 C115 M207 Y209Q97-F99 PolarHBondContact O-N 2.69Å; F99-Q101 HydrophobicContact CE1-CG 4.21Å; F99-Q101 HydrophobicContact CZ-CG 4.21Å; F99-R113 HydrophobicContact CE1-CB 3.95Å; F99-R113 HydrophobicContact CZ-CB 4.02Å; F99-C115 VanDerWaalsContact CD1-SG 3.56Å; F99-M207 WeakPolarHBondContact CB-O 3.42Å; F99-Y209 PolarHBondContact N-O 3.17Å
100L91.1Very high85.3Confident100 Ų10087.3 Ų87.352%0.52447%0.47SS..  trans-72.6126.6179.8-58.7177.2000110.7Y98 M153 P210Y98-L100 VanDerWaalsContact C-N 3.27Å; Y98-L100 PolarHBondContact O-N 2.81Å; L100-M153 HydrophobicContact CD2-SD 4.4Å; L100-P210 HydrophobicContact CD2-CG 4.05Å
101Q88.2Confident84.8Confident19 Ų1991.3 Ų91.39%0.08950%0.497CS..  trans-123.293.1175.3-71.517481.200108.8F99 K112 R113 Y212F99-Q101 HydrophobicContact CE1-CG 4.21Å; F99-Q101 HydrophobicContact CZ-CG 4.21Å; Q101-K112 HydrophobicContact CB-CD 4.15Å; Q101-K112 HydrophobicContact CB-CG 4.39Å; Q101-K112 PolarHBondContact O-NZ 3.11Å; Q101-R113 PolarHBondContact NE2-O 3.25Å; Q101-Y212 HydrophobicContact CB-CE2 4.24Å; Q101-Y212 PolarHBondContact N-OH 3.47Å
102E83.6Confident84.6Confident162 Ų16288.6 Ų88.676%0.75748%0.484SS*.  trans-69.4153.4179.1-61.8-172.716900111.6
103D81.4Confident84.5Confident73 Ų7388.6 Ų88.639%0.3948%0.477SS..  trans-88.9146171.6-66.1-25.5000108.6G105 N109 K112D103-G105 PolarHBondContact O-N 3.45Å; D103-G105 VanDerWaalsContact O-N 3.1Å; D103-N109 PolarHBondContact OD1-N 3.47Å; D103-K112 IonicContact OD1-NZ 2.69Å; D103-K112 PolarHBondContact OD1-NZ 3.4Å
104S75.1Confident84.6Confident98 Ų9887.9 Ų87.969%0.68547%0.473SS*.BIsolated β-bridgetrans-86.879.8-179.8-66.20000109.9D106 V107S104-D106 PolarHBondContact O-N 3.17Å; S104-V107 PolarHBondContact N-O 2.99Å; S104-V107 PolarHBondContact O-N 2.81Å; S104-V107 VanDerWaalsContact O-N 3.11Å
105G73.8Confident84.7Confident71 Ų7183.9 Ų83.973%0.73245%0.449SS*.THydrogen-bonded Turntrans63.8-118.3-175.100000111.2D103 V107D103-G105 PolarHBondContact O-N 3.45Å; D103-G105 VanDerWaalsContact O-N 3.1Å; G105-V107 VanDerWaalsContact C-N 3.28Å; G105-V107 PolarHBondContact O-N 3.28Å
106D70.4Confident84.9Confident174 Ų17482 Ų8293%0.9343%0.433SS*.THydrogen-bonded Turntrans-78.3-10177.9-61.6-45.7000113.6S104 K108S104-D106 PolarHBondContact O-N 3.17Å; D106-K108 PolarHBondContact O-N 3.38Å
107V72.9Confident85.3Confident102 Ų10275 Ų7562%0.61840%0.4SS*.BIsolated β-bridgetrans-90.4106.2-179.2-174.80000110.2S104 G105 N109S104-V107 PolarHBondContact N-O 2.99Å; S104-V107 PolarHBondContact O-N 2.81Å; S104-V107 VanDerWaalsContact O-N 3.11Å; G105-V107 VanDerWaalsContact C-N 3.28Å; G105-V107 PolarHBondContact O-N 3.28Å; V107-N109 PolarHBondContact O-N 2.88Å
108K74.6Confident85.5Confident94 Ų9471 Ų7141%0.40938%0.382SS..  trans-62.5124173.2-68.2-175.4174.8-176.40110.1D30 D106 N110D30-K108 IonicContact OD1-NZ 3.89Å; D30-K108 PolarHBondContact OD1-NZ 3.03Å; D30-K108 IonicContact OD2-NZ 3.81Å; D30-K108 PolarHBondContact OD2-NZ 3.16Å; D30-K108 VanDerWaalsContact OD2-NZ 3.09Å; D106-K108 PolarHBondContact O-N 3.38Å; K108-N110 PolarHBondContact O-N 3.36Å
109N77.4Confident85.6Confident66 Ų6668.5 Ų68.535%0.35337%0.373SS..  trans-76.490.3174.2176.97.6000108.8D103 V107 K112D103-N109 PolarHBondContact OD1-N 3.47Å; V107-N109 PolarHBondContact O-N 2.88Å; N109-K112 WeakPolarHBondContact O-CG 3.37Å; N109-K112 PolarHBondContact O-NZ 3.06Å
110N79.4Confident85.7Confident61 Ų6169.5 Ų69.533%0.32638%0.383SS..  trans-131.7135-179.2-75.8-39.2000110.8H32 K108H32-N110 PolarHBondContact CE1-ND2 2.92Å; K108-N110 PolarHBondContact O-N 3.36Å
111P84.4Confident85.9Confident99 Ų9967.3 Ų67.364%0.64337%0.371SS*.SBendcis-75.3142.6-3.531.3-34000112A216P111-A216 CarbonylContact C-O 3.51Å; P111-A216 WeakPolarHBondContact CA-O 3.43Å
112K89.5Confident86.3Confident16 Ų1666.4 Ų66.47%0.0737%0.367CS..PPolyproline II helixtrans-75.4142.1171-66.5-174-171.4-69.60109.6Q101 D103 N109 Y212 A216 Q217Q101-K112 HydrophobicContact CB-CD 4.15Å; Q101-K112 HydrophobicContact CB-CG 4.39Å; Q101-K112 PolarHBondContact O-NZ 3.11Å; D103-K112 IonicContact OD1-NZ 2.69Å; D103-K112 PolarHBondContact OD1-NZ 3.4Å; N109-K112 WeakPolarHBondContact O-CG 3.37Å; N109-K112 PolarHBondContact O-NZ 3.06Å; K112-Y212 HydrophobicContact CD-CD1 3.47Å; K112-Y212 VanDerWaalsContact CD-CD1 3.47Å; K112-Y212 HydrophobicContact CD-CD2 3.52Å; K112-Y212 HydrophobicContact CD-CE1 3.9Å; K112-Y212 HydrophobicContact CD-CE2 3.94Å; K112-Y212 HydrophobicContact CD-CG 3.26Å; K112-Y212 VanDerWaalsContact CE-CD1 3.48Å; K112-A216 HydrophobicContact CD-CB 4.39Å; K112-A216 HydrophobicContact CG-CB 4.41Å; K112-A216 PolarHBondContact N-O 3.4Å; K112-Q217 HydrophobicContact CB-CG 3.73Å
113R91.2Very high86.8Confident156 Ų15663.6 Ų63.659%0.58935%0.353SS*.PPolyproline II helixtrans-69.8155.4175.1-62.8-176-176.1-177.21.9110.1H91 F99 Q101 Q217H91-R113 HydrophobicContact CB-CB 4.34Å; H91-R113 PolarHBondContact CD2-NH1 2.99Å; H91-R113 PolarHBondContact NE2-NH1 2.84Å; F99-R113 HydrophobicContact CE1-CB 3.95Å; F99-R113 HydrophobicContact CZ-CB 4.02Å; Q101-R113 PolarHBondContact NE2-O 3.25Å; R113-Q217 PolarHBondContact O-NE2 2.87Å
114S94.3Very high87.5Confident5 Ų561.8 Ų61.84%0.03535%0.349CS..  trans-124.4147.3176.7-62.20000109.4N90 H91 Q217 Y220N90-S114 WeakPolarHBondContact CB-O 3.41Å; N90-S114 WeakPolarHBondContact OD1-CB 3.36Å; H91-S114 PolarHBondContact N-O 3.05Å; S114-Q217 WeakPolarHBondContact OG-CB 3.4Å; S114-Y220 WeakPolarHBondContact OG-CA 3.38Å; S114-Y220 PolarHBondContact OG-N 2.75Å
115C95.6Very high88.4Confident4 Ų457.1 Ų57.13%0.02732%0.316CS..BIsolated β-bridgetrans-77.4144.7179.2-58.60000111.6H91 C93 F99 M207 Y208H91-C115 CarbonylContact O-C 3.38Å; H91-C115 WeakPolarHBondContact O-CA 3.4Å; C93-C115 HydrophobicContact CB-CB 3.68Å; C93-C115 WeakPolarHBondContact CB-SG 2.99Å; C93-C115 WeakPolarHBondContact SG-CA 3.41Å; C93-C115 WeakPolarHBondContact SG-CB 3.24Å; C93-C115 CovalentContact SG-SG 2.02Å; C93-C115 PolarHBondContact SG-SG 2.83Å; F99-C115 VanDerWaalsContact CD1-SG 3.56Å; C115-M207 PolarHBondContact SG-O 2.86Å; C115-Y208 HydrophobicContact CB-CD1 3.84Å; C115-Y208 HydrophobicContact CB-CE1 3.9Å
116Q95.7Very high89.5Confident38 Ų3853.9 Ų53.918%0.17828%0.282CS..  trans-68.4131.6172.7-69.417213.800109.8Q86 N90 H91 Y208Q86-Q116 HydrophobicContact CB-CB 4.25Å; Q86-Q116 HydrophobicContact CB-CG 4.19Å; N90-Q116 HydrophobicContact CB-CB 4.35Å; N90-Q116 HydrophobicContact CB-CG 3.58Å; N90-Q116 PolarHBondContact O-NE2 2.78Å; H91-Q116 WeakPolarHBondContact O-CG 3.4Å; H91-Q116 PolarHBondContact O-N 3.34Å; Q116-Y208 WeakPolarHBondContact O-CE1 3.32Å; Q116-Y208 PolarHBondContact O-OH 3.42Å
117F96.3Very high90.5Very high4 Ų445.9 Ų45.92%0.01824%0.241CC..  trans-116.6100.9164.6-175.4-80.9000108.1Y81 Q86 I121 L122 Y208 P223 L224Y81-F117 HydrophobicContact CD1-CB 4Å; Y81-F117 AromaticContact CD1-CD1 3.54Å; Y81-F117 HydrophobicContact CD1-CD1 3.54Å; Y81-F117 HydrophobicContact CD1-CE1 4.47Å; Y81-F117 HydrophobicContact CD1-CG 4.11Å; Y81-F117 HydrophobicContact CE1-CB 4.26Å; Y81-F117 HydrophobicContact CE1-CD1 4.06Å; Y81-F117 HydrophobicContact CE1-CG 4.36Å; Y81-F117 HydrophobicContact CG-CD1 4.37Å; Q86-F117 WeakPolarHBondContact CG-O 3.33Å; F117-I121 HydrophobicContact CD2-CD1 4.4Å; F117-I121 HydrophobicContact CE2-CD1 4.42Å; F117-I121 HydrophobicContact CZ-CB 4.38Å; F117-I121 HydrophobicContact CZ-CG2 4.35Å; F117-L122 HydrophobicContact CE1-CD1 4.39Å; F117-L122 HydrophobicContact CE1-CD2 4.33Å; F117-L122 HydrophobicContact CE1-CG 4.15Å; F117-L122 HydrophobicContact CZ-CD2 4.04Å; F117-L122 HydrophobicContact CZ-CG 4.31Å; F117-Y208 HydrophobicContact CB-CE1 3.82Å; F117-Y208 HydrophobicContact CD2-CE1 4.06Å; F117-Y208 HydrophobicContact CD2-CE2 4.13Å; F117-Y208 AromaticContact CD2-CZ 3.59Å; F117-Y208 VanDerWaalsContact CD2-OH 3.28Å; F117-Y208 WeakPolarHBondContact CD2-OH 3.41Å; F117-Y208 HydrophobicContact CG-CE1 4.47Å; F117-P223 HydrophobicContact CD2-CB 3.99Å; F117-P223 HydrophobicContact CE2-CB 4.11Å; F117-L224 HydrophobicContact CE1-CB 3.87Å; F117-L224 HydrophobicContact CE1-CD1 4.1Å; F117-L224 HydrophobicContact CE1-CG 4.09Å; F117-L224 HydrophobicContact CE2-CB 4.39Å; F117-L224 VanDerWaalsContact CE2-N 3.28Å; F117-L224 HydrophobicContact CZ-CB 3.69Å; F117-L224 HydrophobicContact CZ-CG 4.32Å; F117-L224 VanDerWaalsContact CZ-O 3.27Å; F117-L224 WeakPolarHBondContact CZ-O 3.46Å
118N95.1Very high91.5Very high42 Ų4245.2 Ų45.223%0.22523%0.233CC..  trans-78.1137.8-177.5-69.3-19.6000110.9D83 T120 I121D83-N118 WeakPolarHBondContact OD1-CB 3.29Å; N118-T120 WeakPolarHBondContact CB-OG1 3.28Å; N118-T120 PolarHBondContact O-N 2.88Å; N118-I121 HydrophobicContact CB-CD1 4.3Å; N118-I121 HydrophobicContact CB-CG1 4.32Å; N118-I121 WeakPolarHBondContact O-CB 3.44Å; N118-I121 WeakPolarHBondContact O-CG1 3.29Å; N118-I121 PolarHBondContact O-N 3.48Å; N118-I121 VanDerWaalsContact O-N 3.1Å
119R94.3Very high92.2Very high12 Ų1249.2 Ų49.25%0.04525%0.253CS..G310 helixtrans-62.6-27-179.8-176.7175.9176.2-179-0.9111.5D75 Y81 N82 D83 I121 L122 S126 Y133D75-R119 IonicContact OD1-CZ 3.54Å; D75-R119 IonicContact OD1-NH1 3.35Å; D75-R119 PolarHBondContact OD1-NH1 2.9Å; D75-R119 IonicContact OD1-NH2 2.85Å; D75-R119 PolarHBondContact OD1-NH2 2.97Å; Y81-R119 WeakPolarHBondContact O-CB 3.44Å; Y81-R119 PolarHBondContact O-N 3.39Å; N82-R119 WeakPolarHBondContact OD1-CD 3.34Å; N82-R119 PolarHBondContact OD1-NH1 2.85Å; D83-R119 PolarHBondContact OD1-N 3.39Å; R119-I121 PolarHBondContact O-N 3.35Å; R119-L122 PolarHBondContact O-N 3.2Å; R119-S126 PolarHBondContact NE-O 2.97Å; R119-S126 PolarHBondContact NH2-O 2.85Å; R119-S126 WeakPolarHBondContact O-CB 3.44Å; R119-Y133 PolarHBondContact NH2-OH 2.69Å
120T95.1Very high92.9Very high64 Ų6448 Ų4839%0.39325%0.246SC..G310 helixtrans-59.1-26.9174.642.50000113.9D83 N118 L122 E123 L128D83-T120 WeakPolarHBondContact OD2-CG2 3.29Å; D83-T120 PolarHBondContact OD2-OG1 2.83Å; N118-T120 WeakPolarHBondContact CB-OG1 3.28Å; N118-T120 PolarHBondContact O-N 2.88Å; T120-L122 PolarHBondContact O-N 2.04Å; T120-E123 PolarHBondContact O-N 2.93Å; T120-L128 HydrophobicContact CG2-CD1 3.56Å
121I95.3Very high93.5Very high54 Ų5454.7 Ų54.728%0.27727%0.267SS..G310 helixtrans-62.4-25.9177.3-59.5169.9000111.9F117 N118 R119 E123 P199F117-I121 HydrophobicContact CD2-CD1 4.4Å; F117-I121 HydrophobicContact CE2-CD1 4.42Å; F117-I121 HydrophobicContact CZ-CB 4.38Å; F117-I121 HydrophobicContact CZ-CG2 4.35Å; N118-I121 HydrophobicContact CB-CD1 4.3Å; N118-I121 HydrophobicContact CB-CG1 4.32Å; N118-I121 WeakPolarHBondContact O-CB 3.44Å; N118-I121 WeakPolarHBondContact O-CG1 3.29Å; N118-I121 PolarHBondContact O-N 3.48Å; N118-I121 VanDerWaalsContact O-N 3.1Å; R119-I121 PolarHBondContact O-N 3.35Å; I121-E123 PolarHBondContact O-N 2.55Å; I121-P199 HydrophobicContact CG2-CB 3.93Å; I121-P199 HydrophobicContact CG2-CG 4.16Å
122L95.8Very high94Very high0 Ų054.6 Ų54.60%026%0.255CS..G310 helixtrans-80.90.1177.8-60.5178.2000113.3L78 F117 R119 T120 A124 C125 S126 I143 L224 A226L78-L122 HydrophobicContact CD1-CD1 4.29Å; L78-L122 HydrophobicContact CD2-CD1 3.72Å; F117-L122 HydrophobicContact CE1-CD1 4.39Å; F117-L122 HydrophobicContact CE1-CD2 4.33Å; F117-L122 HydrophobicContact CE1-CG 4.15Å; F117-L122 HydrophobicContact CZ-CD2 4.04Å; F117-L122 HydrophobicContact CZ-CG 4.31Å; R119-L122 PolarHBondContact O-N 3.2Å; T120-L122 PolarHBondContact O-N 2.04Å; L122-A124 PolarHBondContact O-N 3.2Å; L122-C125 CarbonylContact O-C 3.6Å; L122-C125 WeakPolarHBondContact O-CA 3.38Å; L122-C125 WeakPolarHBondContact O-CB 2.96Å; L122-C125 PolarHBondContact O-N 3.4Å; L122-S126 PolarHBondContact O-N 3.02Å; L122-I143 HydrophobicContact CD1-CD1 4.24Å; L122-L224 HydrophobicContact CD1-CD1 4.32Å; L122-L224 HydrophobicContact CD2-CB 4.23Å; L122-A226 HydrophobicContact CD2-CB 4.01Å
123E95.5Very high94.3Very high102 Ų10253.9 Ų53.948%0.47725%0.252SS..G310 helixtrans45.3-116.4174.6-60.4-176.3-17000113.4T120 I121 C125 S126 F198T120-E123 PolarHBondContact O-N 2.93Å; I121-E123 PolarHBondContact O-N 2.55Å; E123-C125 PolarHBondContact O-N 2.82Å; E123-C125 VanDerWaalsContact O-N 3.17Å; E123-S126 WeakPolarHBondContact O-CB 3.45Å; E123-S126 PolarHBondContact O-N 2.87Å; E123-S126 PolarHBondContact O-OG 2.88Å; E123-F198 HydrophobicContact CB-CD1 3.69Å; E123-F198 HydrophobicContact CB-CE1 3.9Å; E123-F198 HydrophobicContact CB-CG 4.22Å; E123-F198 HydrophobicContact CG-CD1 3.99Å; E123-F198 HydrophobicContact CG-CE1 4.43Å; E123-F198 VanDerWaalsContact OE2-CD1 3.28Å; E123-F198 WeakPolarHBondContact OE2-CD1 3.35Å; E123-F198 WeakPolarHBondContact OE2-CE1 3.44Å
124A94.8Very high94.5Very high36 Ų3646.5 Ų46.530%0.29822%0.224SC..G310 helixtrans-63-21.3-178.600000113.5L122 F198 K228L122-A124 PolarHBondContact O-N 3.2Å; A124-F198 HydrophobicContact CB-CE2 4.06Å; A124-F198 HydrophobicContact CB-CZ 3.94Å; A124-K228 HydrophobicContact CB-CD 4.48Å
125C95.9Very high94.5Very high0 Ų046.3 Ų46.30%022%0.222CC..G310 helixtrans-976.7176-63.60000113.2L122 E123 G127 Y133 C141 F198 A226L122-C125 CarbonylContact O-C 3.6Å; L122-C125 WeakPolarHBondContact O-CA 3.38Å; L122-C125 WeakPolarHBondContact O-CB 2.96Å; L122-C125 PolarHBondContact O-N 3.4Å; E123-C125 PolarHBondContact O-N 2.82Å; E123-C125 VanDerWaalsContact O-N 3.17Å; C125-G127 VanDerWaalsContact C-N 3.34Å; C125-Y133 WeakPolarHBondContact O-CD1 3.49Å; C125-Y133 WeakPolarHBondContact O-CE1 3.42Å; C125-C141 WeakPolarHBondContact CA-SG 3.48Å; C125-C141 HydrophobicContact CB-CB 3.57Å; C125-C141 WeakPolarHBondContact CB-SG 3.06Å; C125-C141 WeakPolarHBondContact SG-CB 3.41Å; C125-C141 CovalentContact SG-SG 2.04Å; C125-C141 PolarHBondContact SG-SG 2.78Å; C125-F198 HydrophobicContact CB-CD2 4.3Å; C125-A226 HydrophobicContact CB-CB 3.47Å; C125-A226 VanDerWaalsContact CB-CB 3.47Å
126S95.4Very high94.4Very high2 Ų251.2 Ų51.21%0.01425%0.245CC..SBendtrans-68.2-32.1177.2650000112.2L78 R119 L122 E123 L128L78-S126 WeakPolarHBondContact CD1-O 3.31Å; R119-S126 PolarHBondContact NE-O 2.97Å; R119-S126 PolarHBondContact NH2-O 2.85Å; R119-S126 WeakPolarHBondContact O-CB 3.44Å; L122-S126 PolarHBondContact O-N 3.02Å; E123-S126 WeakPolarHBondContact O-CB 3.45Å; E123-S126 PolarHBondContact O-N 2.87Å; E123-S126 PolarHBondContact O-OG 2.88Å; S126-L128 VanDerWaalsContact C-N 3.33Å; S126-L128 WeakPolarHBondContact OG-CB 3Å; S126-L128 PolarHBondContact OG-N 2.89Å
127G92.9Very high94.2Very high6 Ų655.4 Ų55.46%0.06226%0.264CS..SBendtrans871.3-170.300000114.3C125 D130C125-G127 VanDerWaalsContact C-N 3.34Å; G127-D130 WeakPolarHBondContact CA-O 2.89Å
128L92.2Very high94.1Very high88 Ų8855.7 Ų55.746%0.46127%0.269SS..SBendtrans-80.1-43.8-178.8-63.7174.3000112.3T120 S126T120-L128 HydrophobicContact CG2-CD1 3.56Å; S126-L128 VanDerWaalsContact C-N 3.33Å; S126-L128 WeakPolarHBondContact OG-CB 3Å; S126-L128 PolarHBondContact OG-N 2.89Å
129H90.2Very high94.1Very high179 Ų17957.4 Ų57.483%0.82927%0.274SS*.SBendtrans-91-41.1176.7-62-63.6000112.1
130D92.4Very high94.2Very high39 Ų3956.8 Ų56.821%0.20927%0.272CS..  trans-119.1106.7178.5172.316000109.9G127 Y132 Y133 G134G127-D130 WeakPolarHBondContact CA-O 2.89Å; D130-Y132 PolarHBondContact O-N 2.82Å; D130-Y132 WeakPolarHBondContact OD1-CA 3.37Å; D130-Y132 WeakPolarHBondContact OD1-CB 3.36Å; D130-Y132 PolarHBondContact OD1-N 2.69Å; D130-Y133 PolarHBondContact O-N 2.85Å; D130-Y133 PolarHBondContact OD2-N 3.41Å; D130-G134 WeakPolarHBondContact OD2-CA 3.38Å; D130-G134 PolarHBondContact OD2-N 3.42Å
131R92.6Very high94.2Very high203 Ų20353.8 Ų53.877%0.76625%0.253SS*.THydrogen-bonded Turntrans-67.7-15.1180-72.4-176.3165.1179-4113.8Y133R131-Y133 WeakPolarHBondContact O-CD2 3.41Å; R131-Y133 WeakPolarHBondContact O-CE2 3.39Å
132Y94.5Very high94.3Very high97 Ų9751.2 Ų51.238%0.3824%0.24SC..THydrogen-bonded Turntrans-102.45.6-176.1-50.8-53.3000112.9W67 D130 G134 Y135 Q136W67-Y132 HydrophobicContact CE3-CD1 4.37Å; W67-Y132 AromaticContact CH2-CD1 3.74Å; W67-Y132 HydrophobicContact CH2-CD1 3.74Å; W67-Y132 HydrophobicContact CH2-CD2 4.34Å; W67-Y132 AromaticContact CH2-CE1 3.96Å; W67-Y132 HydrophobicContact CH2-CE1 3.96Å; W67-Y132 AromaticContact CH2-CG 3.91Å; W67-Y132 HydrophobicContact CH2-CG 3.91Å; W67-Y132 AromaticContact CZ3-CD1 3.29Å; W67-Y132 HydrophobicContact CZ3-CD1 3.29Å; W67-Y132 AromaticContact CZ3-CE1 3.82Å; W67-Y132 HydrophobicContact CZ3-CE1 3.82Å; W67-Y132 AromaticContact CZ3-CG 3.7Å; W67-Y132 HydrophobicContact CZ3-CG 3.7Å; D130-Y132 PolarHBondContact O-N 2.82Å; D130-Y132 WeakPolarHBondContact OD1-CA 3.37Å; D130-Y132 WeakPolarHBondContact OD1-CB 3.36Å; D130-Y132 PolarHBondContact OD1-N 2.69Å; Y132-G134 PolarHBondContact O-N 3.33Å; Y132-Y135 WeakPolarHBondContact O-CB 3.42Å; Y132-Y135 VanDerWaalsContact O-CD2 3.26Å; Y132-Y135 WeakPolarHBondContact O-CD2 3.28Å; Y132-Y135 PolarHBondContact O-N 2.84Å; Y132-Q136 HydrophobicContact CD2-CB 4.44Å; Y132-Q136 VanDerWaalsContact CD2-OE1 3.24Å
133Y95.4Very high94.3Very high1 Ų151.2 Ų51.20%0.00424%0.24CC..THydrogen-bonded Turntrans52.234.6172.2-58.5-90.8000113.7A71 L74 D75 L78 R119 C125 D130 R131 Y135 C141A71-Y133 HydrophobicContact CB-CD2 4.03Å; A71-Y133 HydrophobicContact CB-CE2 4.48Å; A71-Y133 WeakPolarHBondContact O-CE2 3.27Å; L74-Y133 HydrophobicContact CB-CD1 4.35Å; L74-Y133 HydrophobicContact CB-CD2 4.06Å; L74-Y133 HydrophobicContact CB-CE1 4.1Å; L74-Y133 HydrophobicContact CB-CE2 3.8Å; L74-Y133 HydrophobicContact CB-CG 4.32Å; L74-Y133 HydrophobicContact CD1-CD1 3.98Å; L74-Y133 HydrophobicContact CD1-CD2 3.99Å; L74-Y133 HydrophobicContact CD1-CG 3.67Å; D75-Y133 VanDerWaalsContact CA-OH 3.26Å; D75-Y133 WeakPolarHBondContact CA-OH 3.4Å; D75-Y133 HydrophobicContact CB-CE2 4.35Å; D75-Y133 PolarHBondContact N-OH 2.84Å; D75-Y133 PolarHBondContact OD1-OH 2.93Å; L78-Y133 HydrophobicContact CD1-CE1 3.71Å; R119-Y133 PolarHBondContact NH2-OH 2.69Å; C125-Y133 WeakPolarHBondContact O-CD1 3.49Å; C125-Y133 WeakPolarHBondContact O-CE1 3.42Å; D130-Y133 PolarHBondContact O-N 2.85Å; D130-Y133 PolarHBondContact OD2-N 3.41Å; R131-Y133 WeakPolarHBondContact O-CD2 3.41Å; R131-Y133 WeakPolarHBondContact O-CE2 3.39Å; Y133-Y135 VanDerWaalsContact C-N 3.26Å; Y133-Y135 PolarHBondContact O-N 3.14Å; Y133-C141 WeakPolarHBondContact O-CB 3.49Å; Y133-C141 PolarHBondContact O-N 2.8Å
134G94.7Very high94.3Very high1 Ų146.4 Ų46.41%0.0122%0.218CC..THydrogen-bonded Turntrans74.61.3-179.700000115.7D130 Y132 Q136 E137 G138 K139D130-G134 WeakPolarHBondContact OD2-CA 3.38Å; D130-G134 PolarHBondContact OD2-N 3.42Å; Y132-G134 PolarHBondContact O-N 3.33Å; G134-Q136 VanDerWaalsContact C-N 3.32Å; G134-Q136 PolarHBondContact O-N 3.47Å; G134-E137 PolarHBondContact O-N 2.96Å; G134-G138 PolarHBondContact O-N 2.92Å; G134-K139 CarbonylContact C-O 3.44Å; G134-K139 VanDerWaalsContact CA-O 3.29Å; G134-K139 WeakPolarHBondContact CA-O 3.4Å; G134-K139 CarbonylContact O-C 3.55Å; G134-K139 VanDerWaalsContact O-C 3.23Å; G134-K139 WeakPolarHBondContact O-CA 3.44Å; G134-K139 PolarHBondContact O-N 2.91Å
135Y94.6Very high94.3Very high0 Ų046.6 Ų46.60%021%0.212CC..G310 helixtrans-64.6-35.3-179.8-78.5-98000112.7P49 I57 Y59 W67 Y70 L74 Y132 Y133 E137 G138 P140P49-Y135 WeakPolarHBondContact CD-OH 3.49Å; P49-Y135 VanDerWaalsContact CG-OH 3.24Å; P49-Y135 WeakPolarHBondContact CG-OH 3.31Å; I57-Y135 HydrophobicContact CG2-CE1 4.22Å; Y59-Y135 AromaticContact CD1-CD1 3.79Å; Y59-Y135 HydrophobicContact CD1-CD1 3.79Å; Y59-Y135 AromaticContact CD1-CE1 3.92Å; Y59-Y135 HydrophobicContact CD1-CE1 3.92Å; Y59-Y135 HydrophobicContact CD2-CD1 4.24Å; Y59-Y135 AromaticContact CE1-CD1 3.5Å; Y59-Y135 HydrophobicContact CE1-CD1 3.5Å; Y59-Y135 AromaticContact CE1-CE1 3.73Å; Y59-Y135 HydrophobicContact CE1-CE1 3.73Å; Y59-Y135 AromaticContact CE2-CD1 4Å; Y59-Y135 HydrophobicContact CE2-CD1 4Å; Y59-Y135 WeakPolarHBondContact CE2-O 3.28Å; Y59-Y135 HydrophobicContact CG-CD1 4.13Å; Y59-Y135 AromaticContact CZ-CD1 3.6Å; W67-Y135 HydrophobicContact CB-CD1 3.76Å; W67-Y135 HydrophobicContact CB-CG 4.06Å; Y70-Y135 HydrophobicContact CD2-CD1 4.34Å; Y70-Y135 AromaticContact CD2-CE1 3.79Å; Y70-Y135 HydrophobicContact CD2-CE1 3.79Å; Y70-Y135 AromaticContact CG-CE1 3.97Å; Y70-Y135 HydrophobicContact CG-CE1 3.97Å; L74-Y135 HydrophobicContact CD1-CE2 3.94Å; Y132-Y135 WeakPolarHBondContact O-CB 3.42Å; Y132-Y135 VanDerWaalsContact O-CD2 3.26Å; Y132-Y135 WeakPolarHBondContact O-CD2 3.28Å; Y132-Y135 PolarHBondContact O-N 2.84Å; Y133-Y135 VanDerWaalsContact C-N 3.26Å; Y133-Y135 PolarHBondContact O-N 3.14Å; Y135-E137 VanDerWaalsContact C-N 3.25Å; Y135-E137 PolarHBondContact O-N 2.83Å; Y135-G138 PolarHBondContact O-N 2.77Å; Y135-P140 HydrophobicContact CD1-CB 3.99Å; Y135-P140 HydrophobicContact CD2-CB 4.15Å; Y135-P140 HydrophobicContact CE1-CB 3.84Å; Y135-P140 HydrophobicContact CE2-CB 4.02Å; Y135-P140 HydrophobicContact CG-CB 4.15Å
136Q93.1Very high94.1Very high107 Ų10746.7 Ų46.750%0.521%0.212SC..G310 helixtrans-63.4-31.4177.7-173.91803.200112.7I61 W67 Y132 G134I61-Q136 WeakPolarHBondContact CG2-O 3.21Å; W67-Q136 HydrophobicContact CH2-CB 4.42Å; W67-Q136 HydrophobicContact CZ2-CB 4.11Å; W67-Q136 HydrophobicContact CZ2-CG 4.23Å; Y132-Q136 HydrophobicContact CD2-CB 4.44Å; Y132-Q136 VanDerWaalsContact CD2-OE1 3.24Å; G134-Q136 VanDerWaalsContact C-N 3.32Å; G134-Q136 PolarHBondContact O-N 3.47Å
137E93.1Very high94Very high126 Ų12649.9 Ų49.959%0.58923%0.229SC*.G310 helixtrans-90.90.9-179.8-63.3-179.4-170.800113.1G134 Y135 K139G134-E137 PolarHBondContact O-N 2.96Å; Y135-E137 VanDerWaalsContact C-N 3.25Å; Y135-E137 PolarHBondContact O-N 2.83Å; E137-K139 HydrophobicContact CB-CB 4.5Å; E137-K139 PolarHBondContact O-N 3.34Å
138G92.9Very high94Very high10 Ų1055 Ų5510%0.10325%0.247CC..THydrogen-bonded Turntrans70.518.6-170.700000113.7G134 Y135 P140 I268G134-G138 PolarHBondContact O-N 2.92Å; Y135-G138 PolarHBondContact O-N 2.77Å; G138-P140 VanDerWaalsContact C-CD 3.44Å; G138-P140 VanDerWaalsContact O-CD 3.32Å; G138-P140 WeakPolarHBondContact O-CD 3.43Å; G138-I268 WeakPolarHBondContact O-CD1 3.33Å
139K95.4Very high93.9Very high78 Ų7851.4 Ų51.434%0.33923%0.228SC..  trans-119.364.4-178.9-66.7179.6-176.6171.70111.1G134 E137 K228 F229 L230G134-K139 CarbonylContact C-O 3.44Å; G134-K139 VanDerWaalsContact CA-O 3.29Å; G134-K139 WeakPolarHBondContact CA-O 3.4Å; G134-K139 CarbonylContact O-C 3.55Å; G134-K139 VanDerWaalsContact O-C 3.23Å; G134-K139 WeakPolarHBondContact O-CA 3.44Å; G134-K139 PolarHBondContact O-N 2.91Å; E137-K139 HydrophobicContact CB-CB 4.5Å; E137-K139 PolarHBondContact O-N 3.34Å; K139-K228 WeakPolarHBondContact O-CE 3.36Å; K139-F229 CarbonylContact C-O 3.57Å; K139-F229 WeakPolarHBondContact CA-O 3.24Å; K139-F229 WeakPolarHBondContact CB-O 3.31Å; K139-L230 HydrophobicContact CD-CD2 4.43Å; K139-L230 VanDerWaalsContact CE-O 3.3Å; K139-L230 WeakPolarHBondContact CE-O 3.48Å
140P95.8Very high94Very high0 Ų045 Ų450%020%0.2CC..  trans-69.7144.6-166.930.5-35.1000111.8Y59 Y135 G138 F229 L266 I268Y59-P140 HydrophobicContact CE1-CB 4.25Å; Y59-P140 HydrophobicContact CE1-CG 4.22Å; Y59-P140 WeakPolarHBondContact OH-CD 3.41Å; Y135-P140 HydrophobicContact CD1-CB 3.99Å; Y135-P140 HydrophobicContact CD2-CB 4.15Å; Y135-P140 HydrophobicContact CE1-CB 3.84Å; Y135-P140 HydrophobicContact CE2-CB 4.02Å; Y135-P140 HydrophobicContact CG-CB 4.15Å; G138-P140 VanDerWaalsContact C-CD 3.44Å; G138-P140 VanDerWaalsContact O-CD 3.32Å; G138-P140 WeakPolarHBondContact O-CD 3.43Å; P140-F229 PolarHBondContact O-N 2.97Å; P140-L266 HydrophobicContact CG-CD1 4.38Å; P140-L266 HydrophobicContact CG-CD2 4.14Å; P140-I268 HydrophobicContact CG-CD1 3.86Å
141C96.1Very high93.9Very high0 Ų045.1 Ų45.10%021%0.21CC..EExtended strand (participates in β ladder)trans-90.8131.8167.6-70.90000111C125 Y133 V227C125-C141 WeakPolarHBondContact CA-SG 3.48Å; C125-C141 HydrophobicContact CB-CB 3.57Å; C125-C141 WeakPolarHBondContact CB-SG 3.06Å; C125-C141 WeakPolarHBondContact SG-CB 3.41Å; C125-C141 CovalentContact SG-SG 2.04Å; C125-C141 PolarHBondContact SG-SG 2.78Å; Y133-C141 WeakPolarHBondContact O-CB 3.49Å; Y133-C141 PolarHBondContact O-N 2.8Å; C141-V227 WeakPolarHBondContact CA-O 3.44Å
142I96.1Very high93.8Very high0 Ų036.7 Ų36.70%018%0.18CC..EExtended strand (participates in β ladder)trans-120.5127.9174.1-58.3-177.4000108.2I47 I57 A226 V227 F229 F264 L266I47-I142 HydrophobicContact CB-CG2 3.89Å; I47-I142 HydrophobicContact CD1-CG2 4.43Å; I47-I142 HydrophobicContact CG2-CG2 4.06Å; I57-I142 HydrophobicContact CD1-CD1 3.64Å; I57-I142 HydrophobicContact CD1-CG1 4.11Å; I142-A226 CarbonylContact O-C 3.57Å; I142-A226 WeakPolarHBondContact O-CA 3.42Å; I142-V227 HydrophobicContact CB-CG1 3.98Å; I142-V227 PolarHBondContact N-O 3.34Å; I142-V227 WeakPolarHBondContact O-CG1 3.11Å; I142-V227 PolarHBondContact O-N 3.41Å; I142-F229 HydrophobicContact CB-CE2 4.41Å; I142-F229 HydrophobicContact CD1-CD2 4.33Å; I142-F229 HydrophobicContact CD1-CE2 3.69Å; I142-F229 HydrophobicContact CG1-CE2 4.08Å; I142-F264 HydrophobicContact CD1-CD2 4.13Å; I142-F264 HydrophobicContact CD1-CE2 3.23Å; I142-F264 HydrophobicContact CD1-CZ 3.56Å; I142-F264 HydrophobicContact CG2-CZ 4.39Å; I142-L266 HydrophobicContact CD1-CD2 4.35Å
143I96.8Very high93.5Very high1 Ų136.2 Ų36.21%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-94.9129.3179.9-56.4178.9000109.4I47 R48 L74 F77 L78 L122 L224 V225 A226I47-I143 CarbonylContact C-O 3.56Å; I47-I143 WeakPolarHBondContact CA-O 3.49Å; R48-I143 HydrophobicContact CB-CB 4.25Å; R48-I143 PolarHBondContact N-O 2.88Å; R48-I143 PolarHBondContact O-N 3.41Å; L74-I143 HydrophobicContact CD2-CD1 3.64Å; L74-I143 HydrophobicContact CD2-CG1 3.94Å; F77-I143 HydrophobicContact CD1-CD1 4.24Å; F77-I143 HydrophobicContact CE1-CD1 4.27Å; F77-I143 HydrophobicContact CE1-CG2 4.16Å; L78-I143 HydrophobicContact CD1-CD1 3.87Å; L78-I143 HydrophobicContact CD2-CD1 3.81Å; L78-I143 HydrophobicContact CG-CD1 3.94Å; L122-I143 HydrophobicContact CD1-CD1 4.24Å; I143-L224 HydrophobicContact CG2-CB 3.9Å; I143-L224 HydrophobicContact CG2-CD1 4.22Å; I143-L224 HydrophobicContact CG2-CD2 4.13Å; I143-L224 HydrophobicContact CG2-CG 4.31Å; I143-V225 CarbonylContact C-O 3.56Å; I143-A226 HydrophobicContact CG1-CB 4.4Å
144I95.8Very high93.1Very high0 Ų036.1 Ų36.10%018%0.182CC..EExtended strand (participates in β ladder)trans-105.5136.7178.1-53175.1000108.8L45 I47 V163 C165 V225 V227 C242L45-I144 HydrophobicContact CB-CG2 4.47Å; L45-I144 HydrophobicContact CD1-CG2 4.27Å; L45-I144 HydrophobicContact CD2-CG2 4.02Å; I47-I144 HydrophobicContact CG2-CG1 4.44Å; I144-V163 HydrophobicContact CD1-CG1 3.67Å; I144-V163 HydrophobicContact CG2-CG1 4.26Å; I144-V163 HydrophobicContact CG2-CG2 4.3Å; I144-C165 WeakPolarHBondContact CD1-SG 3.1Å; I144-V225 WeakPolarHBondContact CA-O 3.35Å; I144-V225 PolarHBondContact N-O 2.98Å; I144-V225 PolarHBondContact O-N 3.18Å; I144-V227 HydrophobicContact CD1-CG1 3.98Å; I144-V227 HydrophobicContact CG1-CG1 4.38Å; I144-C242 HydrophobicContact CD1-CB 4Å
145K93.6Very high92.5Very high40 Ų4036.4 Ų36.417%0.17419%0.185CC..EExtended strand (participates in β ladder)trans-135.2124.9-173.3179.2-179.4-1791800110.1V46 F77 Q222 L224V46-K145 PolarHBondContact N-O 2.86Å; V46-K145 PolarHBondContact O-N 2.86Å; F77-K145 HydrophobicContact CZ-CD 4.28Å; K145-Q222 VanDerWaalsContact CE-NE2 3.27Å; K145-Q222 HydrophobicContact CG-CG 4.47Å; K145-Q222 VanDerWaalsContact CG-NE2 3.26Å; K145-L224 HydrophobicContact CB-CD2 4.25Å; K145-L224 HydrophobicContact CD-CD2 4.49Å; K145-L224 HydrophobicContact CG-CD2 4.22Å
146L92.9Very high91.7Very high2 Ų242.7 Ų42.71%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-91.9113-179.6-179.769.2000112.8P43 L45 R148 F204 Y209 Q222 I244P43-L146 HydrophobicContact CB-CD1 3.89Å; P43-L146 HydrophobicContact CB-CG 4.26Å; P43-L146 HydrophobicContact CG-CD1 3.89Å; P43-L146 HydrophobicContact CG-CG 4.38Å; L45-L146 HydrophobicContact CD2-CB 3.98Å; L45-L146 HydrophobicContact CD2-CD1 3.52Å; L45-L146 HydrophobicContact CD2-CG 4.39Å; L45-L146 HydrophobicContact CG-CD1 4.38Å; L146-R148 PolarHBondContact O-N 3.4Å; L146-F204 HydrophobicContact CB-CE1 4.47Å; L146-F204 HydrophobicContact CB-CE2 4.01Å; L146-F204 HydrophobicContact CB-CZ 4Å; L146-Y209 WeakPolarHBondContact CD2-OH 3.39Å; L146-Q222 PolarHBondContact O-NE2 3.46Å; L146-I244 HydrophobicContact CD1-CD1 4.49Å; L146-I244 HydrophobicContact CD1-CG1 4.27Å; L146-I244 HydrophobicContact CD2-CD1 4.47Å
147N92.7Very high90.9Very high69 Ų6944.3 Ų44.337%0.36922%0.224SC..  trans-45.5133.7-176.4-76.7-16.5000114G44 V46G44-N147 WeakPolarHBondContact O-CB 3.5Å; G44-N147 PolarHBondContact O-N 3.34Å; V46-N147 WeakPolarHBondContact CG2-OD1 3.43Å
148R92.6Very high90.1Very high114 Ų11440.6 Ų40.643%0.4322%0.22SC..  trans-76.5126.3-177.5-57.8175.1-67-172.6-1.2110.2L146 Y211 Y220 Q222L146-R148 PolarHBondContact O-N 3.4Å; R148-Y211 HydrophobicContact CB-CD1 3.71Å; R148-Y211 HydrophobicContact CB-CE1 3.86Å; R148-Y211 HydrophobicContact CB-CG 4.18Å; R148-Y220 HydrophobicContact CG-CE1 4.05Å; R148-Q222 VanDerWaalsContact CD-OE1 3.29Å; R148-Q222 HydrophobicContact CG-CB 4.47Å; R148-Q222 HydrophobicContact CG-CG 3.92Å; R148-Q222 VanDerWaalsContact CG-OE1 3.23Å
149V91.8Very high89.8Confident13 Ų1345.6 Ų45.68%0.07924%0.241CC..  trans-122.7131.5172.8177.30000107.7L40 P43 G151 L152L40-V149 HydrophobicContact CB-CG1 4.16Å; L40-V149 HydrophobicContact CB-CG2 4.24Å; P43-V149 HydrophobicContact CB-CG2 4.18Å; V149-G151 PolarHBondContact O-N 2.86Å; V149-L152 HydrophobicContact CB-CB 3.89Å; V149-L152 HydrophobicContact CB-CD2 4.3Å; V149-L152 HydrophobicContact CG1-CB 4.29Å; V149-L152 WeakPolarHBondContact O-CB 3.34Å; V149-L152 PolarHBondContact O-N 2.81Å
150I91.6Very high89.6Confident45 Ų4543.7 Ų43.723%0.23124%0.239CC..BIsolated β-bridgetrans-67.8126.8-176.2-67.5168.2000109Q37 L152 Y211Q37-I150 PolarHBondContact NE2-O 2.97Å; Q37-I150 PolarHBondContact OE1-O 3.01Å; I150-L152 VanDerWaalsContact C-N 3.28Å; I150-L152 PolarHBondContact O-N 3.33Å; I150-Y211 CarbonylContact C-O 3.58Å; I150-Y211 VanDerWaalsContact CA-O 3.24Å; I150-Y211 WeakPolarHBondContact CA-O 3.32Å; I150-Y211 HydrophobicContact CG1-CD1 3.78Å; I150-Y211 HydrophobicContact CG1-CE1 3.89Å
151G89.4Confident89.5Confident41 Ų4143.7 Ų43.742%0.42324%0.239SC..THydrogen-bonded Turntrans79.62.6-178.700000115.1V149 M153 Y211V149-G151 PolarHBondContact O-N 2.86Å; G151-M153 PolarHBondContact O-N 3.24Å; G151-Y211 PolarHBondContact N-O 3.25Å
152L90.1Very high89.4Confident25 Ų2545.3 Ų45.313%0.13125%0.25CS..  trans-66.3127.8176.7179.674.9000110.7P43 V149 I150 Y209 P210P43-L152 HydrophobicContact CB-CD2 4.2Å; P43-L152 HydrophobicContact CG-CD2 3.82Å; V149-L152 HydrophobicContact CB-CB 3.89Å; V149-L152 HydrophobicContact CB-CD2 4.3Å; V149-L152 HydrophobicContact CG1-CB 4.29Å; V149-L152 WeakPolarHBondContact O-CB 3.34Å; V149-L152 PolarHBondContact O-N 2.81Å; I150-L152 VanDerWaalsContact C-N 3.28Å; I150-L152 PolarHBondContact O-N 3.33Å; L152-Y209 HydrophobicContact CD2-CE1 4.41Å; L152-P210 WeakPolarHBondContact O-CA 3.41Å
153M90.1Very high89.3Confident87 Ų8745.3 Ų45.343%0.42925%0.251SS..  trans-122.887.1174.7-71.8178.1-86.900107.9Y98 L100 G151 P210 N248Y98-M153 HydrophobicContact CD1-CG 4.38Å; Y98-M153 HydrophobicContact CE1-CB 3.86Å; Y98-M153 HydrophobicContact CE1-CG 4.21Å; Y98-M153 PolarHBondContact OH-O 2.89Å; L100-M153 HydrophobicContact CD2-SD 4.4Å; G151-M153 PolarHBondContact O-N 3.24Å; M153-P210 HydrophobicContact CG-CB 4.01Å; M153-P210 HydrophobicContact CG-CG 4.45Å; M153-N248 PolarHBondContact O-ND2 2.9Å
154P87.1Confident89.1Confident0 Ų048.4 Ų48.40%027%0.269CS..  trans-77.1130.7-174.932.6-33.5000110.7Y98 P161 L206 Y209 I249Y98-P154 PolarHBondContact OH-O 2.99Å; P154-P161 HydrophobicContact CB-CB 4.11Å; P154-P161 HydrophobicContact CB-CG 3.79Å; P154-P161 HydrophobicContact CG-CG 3.77Å; P154-L206 WeakPolarHBondContact O-CD2 3.08Å; P154-Y209 VanDerWaalsContact CD-CD1 3.4Å; P154-Y209 HydrophobicContact CG-CD1 3.72Å; P154-Y209 HydrophobicContact CG-CD2 3.66Å; P154-Y209 HydrophobicContact CG-CE1 3.71Å; P154-Y209 HydrophobicContact CG-CE2 3.66Å; P154-Y209 HydrophobicContact CG-CG 3.7Å; P154-I249 HydrophobicContact CB-CD1 3.98Å
155G81.9Confident88.9Confident7 Ų748.8 Ų48.87%0.07227%0.272CS..  trans105.3158.6-176.200000113.8Y98 Q159 N248Y98-G155 PolarHBondContact OH-O 3.17Å; Y98-G155 VanDerWaalsContact OH-O 3.14Å; G155-Q159 VanDerWaalsContact CA-O 3.24Å; G155-Q159 WeakPolarHBondContact CA-O 3.25Å; G155-N248 PolarHBondContact N-OD1 3.42Å
156K76.2Confident88.8Confident131 Ų13148 Ų4857%0.5728%0.275SS*.SBendtrans-132.8144174-162.6-176.1173.3-179.20108.2G158 Q159 N247K156-G158 VanDerWaalsContact C-N 3.3Å; K156-G158 PolarHBondContact O-N 2.86Å; K156-Q159 PolarHBondContact O-N 2.89Å; K156-N247 HydrophobicContact CB-CB 4.06Å
157D76.6Confident88.5Confident141 Ų14148.6 Ų48.675%0.75428%0.28SS*.THydrogen-bonded Turntrans59.436.3175.9-48.2-46.4000113.9Q159D157-Q159 VanDerWaalsContact C-N 3.33Å; D157-Q159 PolarHBondContact O-N 3.07Å
158G77.4Confident88.1Confident48 Ų4849 Ų4950%0.49528%0.279SS..THydrogen-bonded Turntrans81.43.1177.600000115.4K156 A160 L206K156-G158 VanDerWaalsContact C-N 3.3Å; K156-G158 PolarHBondContact O-N 2.86Å; G158-A160 PolarHBondContact O-N 2.89Å; G158-L206 WeakPolarHBondContact O-CD1 3.34Å
159Q86.6Confident87.3Confident116 Ų11645.5 Ų45.554%0.54227%0.269SS..  trans-80.1114.5177.4-66.6-179.15.900111.8G155 K156 D157 N247G155-Q159 VanDerWaalsContact CA-O 3.24Å; G155-Q159 WeakPolarHBondContact CA-O 3.25Å; K156-Q159 PolarHBondContact O-N 2.89Å; D157-Q159 VanDerWaalsContact C-N 3.33Å; D157-Q159 PolarHBondContact O-N 3.07Å; Q159-N247 PolarHBondContact OE1-ND2 3.36Å
160A90.9Very high86.2Confident38 Ų3848.4 Ų48.431%0.31429%0.286SS..  trans-66.1139.9174.400000111.8G158 F204 L206G158-A160 PolarHBondContact O-N 2.89Å; A160-F204 WeakPolarHBondContact CB-O 3.02Å; A160-L206 HydrophobicContact CB-CD2 4.41Å; A160-L206 HydrophobicContact CB-CG 4.28Å
161P93Very high85.1Confident0 Ų049 Ų490%029%0.292CS..  trans-65.6141173.132-40.4000111P154 T203 F204 I244 H245 A246P154-P161 HydrophobicContact CB-CB 4.11Å; P154-P161 HydrophobicContact CB-CG 3.79Å; P154-P161 HydrophobicContact CG-CG 3.77Å; P161-T203 WeakPolarHBondContact O-CA 3.45Å; P161-F204 WeakPolarHBondContact CD-O 2.96Å; P161-F204 HydrophobicContact CG-CB 4.07Å; P161-F204 HydrophobicContact CG-CD2 4.38Å; P161-F204 PolarHBondContact O-N 3.09Å; P161-I244 HydrophobicContact CB-CD1 4.04Å; P161-I244 HydrophobicContact CB-CG1 4.33Å; P161-H245 VanDerWaalsContact CA-O 3.28Å; P161-H245 WeakPolarHBondContact CA-O 3Å; P161-A246 HydrophobicContact CB-CB 3.8Å
162S93.6Very high84.1Confident33 Ų3349.9 Ų49.923%0.23129%0.289CS..EExtended strand (participates in β ladder)trans-125.7150.9-179.364.10000112.5G202 I244 H245S162-G202 CarbonylContact C-O 3.58Å; S162-G202 WeakPolarHBondContact CA-O 3.32Å; S162-I244 CarbonylContact O-C 3.4Å; S162-H245 PolarHBondContact N-O 3.27Å; S162-H245 PolarHBondContact O-N 3.4Å
163V94.2Very high83.2Confident1 Ų153 Ų531%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-104.5132.9176.2-178.30000109.9L45 I144 G202 F204 C242 K243 I244L45-V163 HydrophobicContact CD1-CG1 4.31Å; L45-V163 HydrophobicContact CD1-CG2 4.45Å; L45-V163 HydrophobicContact CD2-CG2 4.49Å; I144-V163 HydrophobicContact CD1-CG1 3.67Å; I144-V163 HydrophobicContact CG2-CG1 4.26Å; I144-V163 HydrophobicContact CG2-CG2 4.3Å; V163-G202 PolarHBondContact N-O 3.06Å; V163-F204 HydrophobicContact CG2-CD2 4.29Å; V163-F204 HydrophobicContact CG2-CE2 3.3Å; V163-F204 HydrophobicContact CG2-CZ 3.78Å; V163-C242 HydrophobicContact CG1-CB 3.98Å; V163-K243 WeakPolarHBondContact CA-O 3.45Å; V163-I244 HydrophobicContact CG2-CD1 3.7Å
164T92.9Very high82.4Confident65 Ų6551.3 Ų51.340%0.39931%0.306SS..EExtended strand (participates in β ladder)trans-120.2133.2167.568.70000109.5C242 K243 H245T164-C242 CarbonylContact O-C 3.52Å; T164-C242 VanDerWaalsContact O-CA 3.25Å; T164-C242 WeakPolarHBondContact O-CA 3.42Å; T164-K243 PolarHBondContact N-O 3.34Å; T164-K243 PolarHBondContact O-N 3.11Å; T164-H245 PolarHBondContact OG1-CD2 2.66Å; T164-H245 PolarHBondContact OG1-NE2 3.14Å
165C92.5Very high81.9Confident9 Ų961 Ų616%0.06134%0.342CS..EExtended strand (participates in β ladder)trans-106.1152.6173.1-600000110.1I144 M195 Y197 I240 E241 C242I144-C165 WeakPolarHBondContact CD1-SG 3.1Å; C165-M195 HydrophobicContact CB-SD 4.04Å; C165-M195 WeakPolarHBondContact O-CE 3.11Å; C165-Y197 HydrophobicContact CB-CE1 4.5Å; C165-Y197 WeakPolarHBondContact CB-OH 3.23Å; C165-Y197 PolarHBondContact N-OH 2.72Å; C165-I240 HydrophobicContact CB-CG2 4.23Å; C165-E241 CarbonylContact C-O 3.57Å; C165-E241 WeakPolarHBondContact CA-O 3.07Å; C165-C242 HydrophobicContact CB-CB 4.08Å; C165-C242 WeakPolarHBondContact CB-SG 3.37Å; C165-C242 WeakPolarHBondContact SG-CB 3.37Å; C165-C242 CovalentContact SG-SG 2.04Å; C165-C242 PolarHBondContact SG-SG 3.24Å
166G90.3Very high81.6Confident23 Ų2366.4 Ų66.424%0.23737%0.369CS..EExtended strand (participates in β ladder)trans-171.3-173.317500000111.5K168 I240 E241G166-K168 PolarHBondContact O-N 3.3Å; G166-I240 CarbonylContact O-C 3.57Å; G166-I240 WeakPolarHBondContact O-CA 3.07Å; G166-E241 PolarHBondContact N-O 3.35Å; G166-E241 PolarHBondContact O-N 2.89Å
167A87.8Confident81.5Confident14 Ų1464.3 Ų64.312%0.11638%0.376CS..EExtended strand (participates in β ladder)trans-63.4137.2174.700000109.8D169 D188 I192A167-D169 PolarHBondContact O-N 3.11Å; A167-D188 HydrophobicContact CB-CB 4.14Å; A167-I192 HydrophobicContact CB-CD1 3.81Å; A167-I192 VanDerWaalsContact N-CD1 3.26Å
168K83.1Confident81.4Confident79 Ų7964 Ų6434%0.34339%0.385SS..PPolyproline II helixtrans-62.9128.8177.6-174.8176.2-179.6-178.90110.3G166 V170 N239 E241G166-K168 PolarHBondContact O-N 3.3Å; K168-V170 PolarHBondContact O-N 3.26Å; K168-N239 HydrophobicContact CB-CB 3.95Å; K168-N239 HydrophobicContact CD-CB 4.31Å; K168-N239 PolarHBondContact N-O 3.1Å; K168-E241 HydrophobicContact CB-CB 4.1Å; K168-E241 HydrophobicContact CG-CB 4.22Å
169D76.5Confident81Confident40 Ų4065.9 Ų65.921%0.21439%0.387CS..PPolyproline II helixtrans-67.8123.8173.4-67.7-47.1000109.5A167 I184 R186 K243A167-D169 PolarHBondContact O-N 3.11Å; D169-I184 HydrophobicContact CB-CG2 3.79Å; D169-R186 WeakPolarHBondContact OD1-CG 3.47Å; D169-R186 IonicContact OD1-CZ 2.84Å; D169-R186 IonicContact OD1-NE 3.66Å; D169-R186 PolarHBondContact OD1-NE 3.44Å; D169-R186 IonicContact OD1-NH2 3.81Å; D169-K243 IonicContact OD2-NZ 2.77Å; D169-K243 PolarHBondContact OD2-NZ 2.98Å
170V69.6Low80.5Confident73 Ų7365.1 Ų65.144%0.44239%0.387SS..EExtended strand (participates in β ladder)trans-106.1108.5174.2-179.10000108.7K168 V172 A185K168-V170 PolarHBondContact O-N 3.26Å; V170-V172 HydrophobicContact CG1-CG2 4.25Å; V170-V172 PolarHBondContact O-N 3.38Å; V170-A185 WeakPolarHBondContact CA-O 3.38Å; V170-A185 WeakPolarHBondContact CB-O 3.49Å; V170-A185 PolarHBondContact N-O 3.02Å; V170-A185 PolarHBondContact O-N 3.1Å
171T67.6Low79.8Confident57 Ų5766.7 Ų66.735%0.3539%0.389SS..EExtended strand (participates in β ladder)trans-76.7109.6173.9-49.40000109.6K182 L183T171-K182 HydrophobicContact CG2-CB 3.98Å; T171-K182 HydrophobicContact CG2-CD 4.09Å; T171-K182 HydrophobicContact CG2-CG 3.97Å; T171-L183 CarbonylContact C-O 3.58Å; T171-L183 WeakPolarHBondContact CA-O 3.33Å
172V69.3Low78.8Confident61 Ų6172.9 Ų72.937%0.3742%0.416SS..EExtended strand (participates in β ladder)trans-94.8113.3172.9-176.30000108.3V170 C174 L183 A185V170-V172 HydrophobicContact CG1-CG2 4.25Å; V170-V172 PolarHBondContact O-N 3.38Å; V172-C174 PolarHBondContact O-N 3.5Å; V172-L183 PolarHBondContact N-O 3.01Å; V172-L183 PolarHBondContact O-N 3.42Å; V172-A185 HydrophobicContact CG2-CB 4.13Å
173T70.9Confident77.5Confident89 Ų8975.9 Ų75.955%0.54643%0.429SS..EExtended strand (participates in β ladder)trans-85.2109.1169.444.20000109.5I181 K182T173-I181 CarbonylContact C-O 3.57Å; T173-I181 WeakPolarHBondContact CA-O 3.44Å; T173-K182 HydrophobicContact CG2-CG 3.7Å
174C73Confident76.2Confident53 Ų5381.2 Ų81.236%0.35846%0.456SS..EExtended strand (participates in β ladder)trans-94.9135.4170.3-66.60000109.4V172 I181V172-C174 PolarHBondContact O-N 3.5Å; C174-I181 PolarHBondContact N-O 3.38Å; C174-I181 PolarHBondContact O-N 3.49Å
175R76.6Confident74.8Confident202 Ų20280 Ų8076%0.76245%0.453SS*.EExtended strand (participates in β ladder)trans-91.3114167.8-85.6-176178.9175.23.5109.5D180R175-D180 WeakPolarHBondContact CG-OD1 3.37Å; R175-D180 IonicContact NE-OD1 3.01Å; R175-D180 PolarHBondContact NE-OD1 2.86Å
176L76.1Confident73.6Confident121 Ų12187 Ų8763%0.63448%0.478SS*.EExtended strand (participates in β ladder)trans-123118.4170.9-152.674.4000108.5S178 T179 I181L176-S178 PolarHBondContact O-N 3.12Å; L176-T179 PolarHBondContact N-O 2.82Å; L176-T179 VanDerWaalsContact N-O 3.08Å; L176-T179 PolarHBondContact O-N 2.83Å; L176-I181 HydrophobicContact CB-CD1 3.91Å; L176-I181 HydrophobicContact CD2-CD1 4.37Å
177A72.7Confident72.4Confident88 Ų8891.8 Ų91.873%0.72750%0.498SS*.THydrogen-bonded Turntrans44.661.1176.900000113.6T179A177-T179 PolarHBondContact O-N 3.45Å; A177-T179 VanDerWaalsContact O-N 3.1Å; A177-T179 PolarHBondContact O-OG1 3.47Å
178S74.3Confident71.8Confident133 Ų13391.6 Ų91.693%0.9350%0.495SS*.THydrogen-bonded Turntrans62.68.6179.533.70000117L176L176-S178 PolarHBondContact O-N 3.12Å
179T69.1Low71.5Confident89 Ų8990 Ų9055%0.54649%0.494SS..EExtended strand (participates in β ladder)trans-112129.8174.8-41.70000109.8L176 A177 I181L176-T179 PolarHBondContact N-O 2.82Å; L176-T179 VanDerWaalsContact N-O 3.08Å; L176-T179 PolarHBondContact O-N 2.83Å; A177-T179 PolarHBondContact O-N 3.45Å; A177-T179 VanDerWaalsContact O-N 3.1Å; A177-T179 PolarHBondContact O-OG1 3.47Å; T179-I181 PolarHBondContact O-N 3.25Å
180D77.2Confident71.7Confident100 Ų10095.7 Ų95.754%0.53552%0.524SS..EExtended strand (participates in β ladder)trans-81.3107.6172.4-69.4-37.4000108.8R175R175-D180 WeakPolarHBondContact CG-OD1 3.37Å; R175-D180 IonicContact NE-OD1 3.01Å; R175-D180 PolarHBondContact NE-OD1 2.86Å
181I75.6Confident72.4Confident71 Ų7194.4 Ų94.436%0.36451%0.513SS..EExtended strand (participates in β ladder)trans-93.7120.3174.5-61.7171000108.2T173 C174 L176 T179 L183T173-I181 CarbonylContact C-O 3.57Å; T173-I181 WeakPolarHBondContact CA-O 3.44Å; C174-I181 PolarHBondContact N-O 3.38Å; C174-I181 PolarHBondContact O-N 3.49Å; L176-I181 HydrophobicContact CB-CD1 3.91Å; L176-I181 HydrophobicContact CD2-CD1 4.37Å; T179-I181 PolarHBondContact O-N 3.25Å; I181-L183 HydrophobicContact CG2-CD2 4.31Å; I181-L183 HydrophobicContact CG2-CG 4.19Å
182K73Confident73.3Confident130 Ų13092.7 Ų92.757%0.56550%0.501SS*.EExtended strand (participates in β ladder)trans-88.8109.4172.1-75.8-176.7175.6-165.90109.8T171 T173 E254T171-K182 HydrophobicContact CG2-CB 3.98Å; T171-K182 HydrophobicContact CG2-CD 4.09Å; T171-K182 HydrophobicContact CG2-CG 3.97Å; T173-K182 HydrophobicContact CG2-CG 3.7Å; K182-E254 IonicContact NZ-OE2 3.7Å
183L66.1Low74.1Confident95 Ų9591.2 Ų91.250%0.49750%0.499SS..EExtended strand (participates in β ladder)trans-97140.4168.8-66.6171000109.3T171 V172 I181T171-L183 CarbonylContact C-O 3.58Å; T171-L183 WeakPolarHBondContact CA-O 3.33Å; V172-L183 PolarHBondContact N-O 3.01Å; V172-L183 PolarHBondContact O-N 3.42Å; I181-L183 HydrophobicContact CG2-CD2 4.31Å; I181-L183 HydrophobicContact CG2-CG 4.19Å
184I66.4Low75.1Confident114 Ų11493.2 Ų93.259%0.58550%0.502SS*.EExtended strand (participates in β ladder)trans-101.1109.8172.4-57.8173.6000107.1D169D169-I184 HydrophobicContact CB-CG2 3.79Å
185A62.5Low76.1Confident40 Ų4093.3 Ų93.333%0.33150%0.498SS..EExtended strand (participates in β ladder)trans-98.5139.417300000109.6V170 V172V170-A185 WeakPolarHBondContact CA-O 3.38Å; V170-A185 WeakPolarHBondContact CB-O 3.49Å; V170-A185 PolarHBondContact N-O 3.02Å; V170-A185 PolarHBondContact O-N 3.1Å; V172-A185 HydrophobicContact CG2-CB 4.13Å
186R66.9Low77Confident156 Ų15686.1 Ų86.159%0.58947%0.474SS*.  trans-119.472174.6-60.5-179175.1164.51.3109.9D169 D188 S189D169-R186 WeakPolarHBondContact OD1-CG 3.47Å; D169-R186 IonicContact OD1-CZ 2.84Å; D169-R186 IonicContact OD1-NE 3.66Å; D169-R186 PolarHBondContact OD1-NE 3.44Å; D169-R186 IonicContact OD1-NH2 3.81Å; R186-D188 PolarHBondContact O-N 3.19Å; R186-S189 WeakPolarHBondContact CB-OG 3.38Å; R186-S189 PolarHBondContact O-N 2.98Å; R186-S189 PolarHBondContact O-OG 2.8Å
187D66.3Low77.9Confident122 Ų12282.2 Ų82.265%0.65245%0.451SS*.THydrogen-bonded Turntrans-61.7-26.7-170.4-162.943.3000113.7
188D75.4Confident79.1Confident11 Ų1178.8 Ų78.86%0.05942%0.42CS..THydrogen-bonded Turntrans-97.86.5-177.2-67.1-24000113.8A167 R186 D190 K191 I192 V238 N239A167-D188 HydrophobicContact CB-CB 4.14Å; R186-D188 PolarHBondContact O-N 3.19Å; D188-D190 VanDerWaalsContact C-N 3.32Å; D188-D190 PolarHBondContact O-N 3.4Å; D188-K191 HydrophobicContact CB-CD 4.33Å; D188-K191 WeakPolarHBondContact O-CB 3.32Å; D188-K191 PolarHBondContact O-N 3.27Å; D188-K191 WeakPolarHBondContact OD1-CD 3.23Å; D188-K191 WeakPolarHBondContact OD1-CE 3.41Å; D188-K191 IonicContact OD1-NZ 2.69Å; D188-K191 PolarHBondContact OD1-NZ 3.39Å; D188-I192 PolarHBondContact O-N 3.16Å; D188-V238 HydrophobicContact CB-CG1 4.3Å; D188-N239 WeakPolarHBondContact OD2-CB 3.42Å; D188-N239 PolarHBondContact OD2-N 3.49Å; D188-N239 PolarHBondContact OD2-ND2 3.07Å
189S76.8Confident80Confident46 Ų4673.9 Ų73.932%0.32238%0.384SS..G310 helixtrans-59.2-43.3-176.2-56.80000112.4R186 K191 I192R186-S189 WeakPolarHBondContact CB-OG 3.38Å; R186-S189 PolarHBondContact O-N 2.98Å; R186-S189 PolarHBondContact O-OG 2.8Å; S189-K191 PolarHBondContact O-N 3.46Å; S189-I192 PolarHBondContact O-N 3.19Å
190D80.8Confident81.1Confident159 Ų15973.3 Ų73.385%0.8538%0.384SS*.G310 helixtrans-74.4-13.4-179.1-57-33.1000112.3D188D188-D190 VanDerWaalsContact C-N 3.32Å; D188-D190 PolarHBondContact O-N 3.4Å
191K84Confident81.7Confident45 Ų4575 Ų7520%0.19639%0.393CS..G310 helixtrans-88.8-20.1179.3-55.7178-168.6159.50112.6D188 S189 T233 V238D188-K191 HydrophobicContact CB-CD 4.33Å; D188-K191 WeakPolarHBondContact O-CB 3.32Å; D188-K191 PolarHBondContact O-N 3.27Å; D188-K191 WeakPolarHBondContact OD1-CD 3.23Å; D188-K191 WeakPolarHBondContact OD1-CE 3.41Å; D188-K191 IonicContact OD1-NZ 2.69Å; D188-K191 PolarHBondContact OD1-NZ 3.39Å; S189-K191 PolarHBondContact O-N 3.46Å; K191-T233 WeakPolarHBondContact CA-OG1 3.46Å; K191-T233 PolarHBondContact O-N 3.23Å; K191-T233 VanDerWaalsContact O-N 3.09Å; K191-T233 PolarHBondContact O-OG1 3.17Å; K191-V238 HydrophobicContact CB-CG1 4.21Å; K191-V238 HydrophobicContact CB-CG2 3.94Å; K191-V238 HydrophobicContact CD-CG2 4.42Å
192I85.9Confident82.5Confident21 Ų2171.6 Ų71.611%0.10838%0.376CS..BIsolated β-bridgetrans-97101.2174.6-60.8169.9000106.8A167 D188 S189 V238 I240A167-I192 HydrophobicContact CB-CD1 3.81Å; A167-I192 VanDerWaalsContact N-CD1 3.26Å; D188-I192 PolarHBondContact O-N 3.16Å; S189-I192 PolarHBondContact O-N 3.19Å; I192-V238 HydrophobicContact CD1-CG1 3.97Å; I192-V238 HydrophobicContact CG1-CG1 3.41Å; I192-V238 VanDerWaalsContact CG1-CG1 3.41Å; I192-I240 HydrophobicContact CD1-CG1 3.69Å; I192-I240 HydrophobicContact CG1-CG1 4.21Å
193G86.4Confident83.5Confident31 Ų3167.4 Ų67.432%0.3236%0.361SS..  trans-80.6-148.7171.300000111.6N231G193-N231 CarbonylContact C-O 3.59Å; G193-N231 WeakPolarHBondContact CA-O 3.04Å; G193-N231 PolarHBondContact N-O 2.86Å
194E91.2Very high84.9Confident131 Ų13162.9 Ų62.961%0.61234%0.337SS*.  trans-65.5138.4-175.6-166.8178.6-176.500112.3L230 N231E194-L230 HydrophobicContact CB-CB 4.41Å; E194-L230 HydrophobicContact CG-CD1 4.18Å; E194-L230 WeakPolarHBondContact O-CB 3.48Å; E194-L230 PolarHBondContact O-N 3.27Å; E194-N231 PolarHBondContact O-N 2.8Å
195M94Very high86.2Confident54 Ų5459.1 Ų59.127%0.26632%0.319SS..EExtended strand (participates in β ladder)trans-134.6147.2176.360-174.8166.700109.4C165 Y197 V227 K228 F229C165-M195 HydrophobicContact CB-SD 4.04Å; C165-M195 WeakPolarHBondContact O-CE 3.11Å; M195-Y197 HydrophobicContact CE-CE2 4.39Å; M195-Y197 VanDerWaalsContact CE-OH 3.31Å; M195-Y197 WeakPolarHBondContact CE-OH 3.14Å; M195-Y197 HydrophobicContact CG-CE2 4.15Å; M195-Y197 HydrophobicContact SD-CE2 4.32Å; M195-Y197 PolarHBondContact SD-OH 3.28Å; M195-V227 HydrophobicContact CB-CG2 4.09Å; M195-V227 HydrophobicContact SD-CG2 4.4Å; M195-K228 VanDerWaalsContact CA-O 3.29Å; M195-K228 WeakPolarHBondContact CA-O 3.33Å; M195-F229 HydrophobicContact CB-CD1 4.46Å
196I95.5Very high87.7Confident51 Ų5157.3 Ų57.326%0.26230%0.303SS..EExtended strand (participates in β ladder)trans-124.1149.4178.761.6177.9000110.2F198 V227 K228 L230I196-F198 HydrophobicContact CD1-CE1 4.34Å; I196-F198 HydrophobicContact CD1-CE2 3.69Å; I196-F198 HydrophobicContact CD1-CZ 3.33Å; I196-F198 HydrophobicContact CG1-CE2 3.8Å; I196-F198 HydrophobicContact CG1-CZ 3.87Å; I196-V227 CarbonylContact O-C 3.43Å; I196-V227 WeakPolarHBondContact O-CA 2.98Å; I196-K228 HydrophobicContact CD1-CB 4.26Å; I196-K228 HydrophobicContact CD1-CD 4.33Å; I196-K228 HydrophobicContact CG1-CB 3.71Å; I196-K228 HydrophobicContact CG1-CG 4.5Å; I196-K228 PolarHBondContact N-O 3.5Å; I196-K228 PolarHBondContact O-N 3.04Å; I196-L230 HydrophobicContact CD1-CD1 4.28Å; I196-L230 HydrophobicContact CD1-CD2 3.97Å; I196-L230 HydrophobicContact CD1-CG 4.35Å; I196-L230 HydrophobicContact CG1-CD1 4.44Å; I196-L230 HydrophobicContact CG1-CD2 4.33Å; I196-L230 HydrophobicContact CG1-CG 4.31Å; I196-L230 HydrophobicContact CG2-CD1 3.64Å; I196-L230 HydrophobicContact CG2-CG 4.29Å
197Y96.6Very high89Confident40 Ų4051 Ų5116%0.15728%0.281CS..EExtended strand (participates in β ladder)trans-115.5142.9-176.5-62.3-92.4000111.1C165 M195 P199 V225 A226 V227C165-Y197 HydrophobicContact CB-CE1 4.5Å; C165-Y197 WeakPolarHBondContact CB-OH 3.23Å; C165-Y197 PolarHBondContact N-OH 2.72Å; M195-Y197 HydrophobicContact CE-CE2 4.39Å; M195-Y197 VanDerWaalsContact CE-OH 3.31Å; M195-Y197 WeakPolarHBondContact CE-OH 3.14Å; M195-Y197 HydrophobicContact CG-CE2 4.15Å; M195-Y197 HydrophobicContact SD-CE2 4.32Å; M195-Y197 PolarHBondContact SD-OH 3.28Å; Y197-P199 CarbonylContact C-O 3.5Å; Y197-P199 CarbonylContact O-C 3.57Å; Y197-V225 HydrophobicContact CD1-CG1 4.25Å; Y197-A226 CarbonylContact C-O 3.47Å; Y197-A226 WeakPolarHBondContact CA-O 3.42Å; Y197-V227 HydrophobicContact CD1-CB 4.11Å; Y197-V227 HydrophobicContact CD1-CG2 4.25Å; Y197-V227 HydrophobicContact CE1-CB 4.06Å; Y197-V227 HydrophobicContact CE1-CG2 3.92Å
198F96.3Very high90.3Very high16 Ų1645.8 Ų45.87%0.0725%0.252CS..EExtended strand (participates in β ladder)trans-131.5121.6174.7-54.7-70.9000110.1E123 A124 C125 I196 V225 A226 K228E123-F198 HydrophobicContact CB-CD1 3.69Å; E123-F198 HydrophobicContact CB-CE1 3.9Å; E123-F198 HydrophobicContact CB-CG 4.22Å; E123-F198 HydrophobicContact CG-CD1 3.99Å; E123-F198 HydrophobicContact CG-CE1 4.43Å; E123-F198 VanDerWaalsContact OE2-CD1 3.28Å; E123-F198 WeakPolarHBondContact OE2-CD1 3.35Å; E123-F198 WeakPolarHBondContact OE2-CE1 3.44Å; A124-F198 HydrophobicContact CB-CE2 4.06Å; A124-F198 HydrophobicContact CB-CZ 3.94Å; C125-F198 HydrophobicContact CB-CD2 4.3Å; I196-F198 HydrophobicContact CD1-CE1 4.34Å; I196-F198 HydrophobicContact CD1-CE2 3.69Å; I196-F198 HydrophobicContact CD1-CZ 3.33Å; I196-F198 HydrophobicContact CG1-CE2 3.8Å; I196-F198 HydrophobicContact CG1-CZ 3.87Å; F198-V225 CarbonylContact O-C 3.23Å; F198-V225 WeakPolarHBondContact O-CA 3.24Å; F198-A226 HydrophobicContact CB-CB 4.37Å; F198-A226 PolarHBondContact N-O 2.74Å; F198-A226 PolarHBondContact O-N 2.83Å; F198-K228 HydrophobicContact CE2-CB 4.09Å; F198-K228 HydrophobicContact CE2-CD 4.46Å
199P94.9Very high91.2Very high29 Ų2945.7 Ų45.719%0.18825%0.251CS..SBendcis-62.8165.9-4.928.6-35.5000112.4I121 Y197 G202 T203I121-P199 HydrophobicContact CG2-CB 3.93Å; I121-P199 HydrophobicContact CG2-CG 4.16Å; Y197-P199 CarbonylContact C-O 3.5Å; Y197-P199 CarbonylContact O-C 3.57Å; P199-G202 PolarHBondContact O-N 3.17Å; P199-T203 WeakPolarHBondContact CG-O 3.28Å
200S90.9Very high92.1Very high77 Ų7743.9 Ų43.954%0.53824%0.238SC..G310 helixtrans-51.7143.8-178.7-47.20000111.8G202 T203S200-G202 PolarHBondContact O-N 3.49Å; S200-T203 PolarHBondContact O-OG1 3.5Å
201N89.6Confident92.7Very high135 Ų13537.1 Ų37.172%0.72220%0.201SC*.G310 helixtrans654.4-173.8-52.5-42.5000115.7T203N201-T203 VanDerWaalsContact C-N 3.29Å; N201-T203 HydrophobicContact CB-CG2 3.97Å; N201-T203 PolarHBondContact O-N 3Å
202G92.9Very high93Very high0 Ų037.3 Ų37.30%020%0.201CC..G310 helixtrans61.836.8176.500000113.1S162 V163 P199 S200S162-G202 CarbonylContact C-O 3.58Å; S162-G202 WeakPolarHBondContact CA-O 3.32Å; V163-G202 PolarHBondContact N-O 3.06Å; P199-G202 PolarHBondContact O-N 3.17Å; S200-G202 PolarHBondContact O-N 3.49Å
203T94.2Very high93.3Very high42 Ų4236.5 Ų36.526%0.25820%0.197SC..BIsolated β-bridgetrans-88.4146.3-174.251.90000112P161 P199 S200 N201 V225P161-T203 WeakPolarHBondContact O-CA 3.45Å; P199-T203 WeakPolarHBondContact CG-O 3.28Å; S200-T203 PolarHBondContact O-OG1 3.5Å; N201-T203 VanDerWaalsContact C-N 3.29Å; N201-T203 HydrophobicContact CB-CG2 3.97Å; N201-T203 PolarHBondContact O-N 3Å; T203-V225 WeakPolarHBondContact O-CG2 3.35Å
204F94.4Very high93.5Very high1 Ų142.5 Ų42.50%0.00421%0.214CC..  trans-102.4112.8163-53.8-81.9000108.6L146 A160 P161 V163 Y209 P223 V225 I244L146-F204 HydrophobicContact CB-CE1 4.47Å; L146-F204 HydrophobicContact CB-CE2 4.01Å; L146-F204 HydrophobicContact CB-CZ 4Å; A160-F204 WeakPolarHBondContact CB-O 3.02Å; P161-F204 WeakPolarHBondContact CD-O 2.96Å; P161-F204 HydrophobicContact CG-CB 4.07Å; P161-F204 HydrophobicContact CG-CD2 4.38Å; P161-F204 PolarHBondContact O-N 3.09Å; V163-F204 HydrophobicContact CG2-CD2 4.29Å; V163-F204 HydrophobicContact CG2-CE2 3.3Å; V163-F204 HydrophobicContact CG2-CZ 3.78Å; F204-Y209 HydrophobicContact CB-CE2 4.18Å; F204-P223 HydrophobicContact CB-CB 4.48Å; F204-P223 HydrophobicContact CB-CG 4.22Å; F204-P223 HydrophobicContact CD1-CB 3.91Å; F204-P223 HydrophobicContact CD1-CG 3.92Å; F204-P223 HydrophobicContact CG-CG 4.48Å; F204-V225 HydrophobicContact CD1-CG2 3.8Å; F204-V225 HydrophobicContact CE1-CB 4.13Å; F204-V225 HydrophobicContact CE1-CG2 3.53Å; F204-V225 HydrophobicContact CE2-CG2 4.28Å; F204-V225 HydrophobicContact CG-CG2 4.29Å; F204-V225 HydrophobicContact CZ-CB 4.22Å; F204-V225 HydrophobicContact CZ-CG2 3.79Å; F204-I244 HydrophobicContact CD2-CD1 3.8Å; F204-I244 HydrophobicContact CE2-CD1 3.57Å
205D94.3Very high93.5Very high35 Ų3541.6 Ų41.619%0.18721%0.208CC..  trans-58.1142.8-178.6-163.3-61.6000112.1P95 E96 M207 Y208 Y209P95-D205 WeakPolarHBondContact CB-OD2 3.47Å; E96-D205 PolarHBondContact N-OD1 3.3Å; E96-D205 PolarHBondContact N-OD2 3.28Å; D205-M207 HydrophobicContact CB-CE 3.79Å; D205-M207 HydrophobicContact CB-CG 4.05Å; D205-M207 PolarHBondContact O-N 2.84Å; D205-M207 WeakPolarHBondContact OD1-CB 3.39Å; D205-M207 WeakPolarHBondContact OD1-CG 3.44Å; D205-M207 PolarHBondContact OD1-N 3.28Å; D205-Y208 HydrophobicContact CB-CD2 3.97Å; D205-Y208 HydrophobicContact CB-CE2 3.89Å; D205-Y208 WeakPolarHBondContact O-CD2 3.36Å; D205-Y208 PolarHBondContact O-N 3.34Å; D205-Y209 WeakPolarHBondContact O-CD2 3.45Å
206L94Very high93.3Very high2 Ų239.2 Ų39.21%0.0120%0.197CC..G310 helixtrans-63.3-23.9179.5-62.4-176.4000112.9Q97 Y98 P154 G158 A160 Y208 Y209Q97-L206 CarbonylContact O-C 3.49Å; Y98-L206 HydrophobicContact CD1-CB 4.14Å; Y98-L206 HydrophobicContact CE1-CB 4.2Å; Y98-L206 HydrophobicContact CE1-CD2 3.77Å; Y98-L206 HydrophobicContact CE1-CG 4.42Å; P154-L206 WeakPolarHBondContact O-CD2 3.08Å; G158-L206 WeakPolarHBondContact O-CD1 3.34Å; A160-L206 HydrophobicContact CB-CD2 4.41Å; A160-L206 HydrophobicContact CB-CG 4.28Å; L206-Y208 PolarHBondContact O-N 2.84Å; L206-Y208 VanDerWaalsContact O-N 3.11Å; L206-Y209 PolarHBondContact O-N 2.83Å
207M94.1Very high93Very high24 Ų2437 Ų3712%0.11819%0.186CC..G310 helixtrans-58.1-26.5179.573.4172.9132.100113.9C93 T94 P95 Q97 F99 C115 D205 Y209C93-M207 HydrophobicContact CB-CB 4.02Å; C93-M207 HydrophobicContact CB-CG 4.31Å; C93-M207 HydrophobicContact CB-SD 3.83Å; T94-M207 VanDerWaalsContact O-CB 3.29Å; T94-M207 WeakPolarHBondContact O-CB 3.49Å; P95-M207 HydrophobicContact CB-CE 4.23Å; P95-M207 HydrophobicContact CG-CE 4.13Å; Q97-M207 WeakPolarHBondContact O-CA 3.45Å; Q97-M207 PolarHBondContact O-N 2.73Å; Q97-M207 VanDerWaalsContact O-N 3.16Å; F99-M207 WeakPolarHBondContact CB-O 3.42Å; C115-M207 PolarHBondContact SG-O 2.86Å; D205-M207 HydrophobicContact CB-CE 3.79Å; D205-M207 HydrophobicContact CB-CG 4.05Å; D205-M207 PolarHBondContact O-N 2.84Å; D205-M207 WeakPolarHBondContact OD1-CB 3.39Å; D205-M207 WeakPolarHBondContact OD1-CG 3.44Å; D205-M207 PolarHBondContact OD1-N 3.28Å; M207-Y209 PolarHBondContact O-N 3.08Å
208Y95.1Very high92.7Very high11 Ų1140 Ų404%0.04321%0.208CC..G310 helixtrans-77.8-9178.1-60.9-76.8000113.1C115 Q116 F117 D205 L206 Y220 P223C115-Y208 HydrophobicContact CB-CD1 3.84Å; C115-Y208 HydrophobicContact CB-CE1 3.9Å; Q116-Y208 WeakPolarHBondContact O-CE1 3.32Å; Q116-Y208 PolarHBondContact O-OH 3.42Å; F117-Y208 HydrophobicContact CB-CE1 3.82Å; F117-Y208 HydrophobicContact CD2-CE1 4.06Å; F117-Y208 HydrophobicContact CD2-CE2 4.13Å; F117-Y208 AromaticContact CD2-CZ 3.59Å; F117-Y208 VanDerWaalsContact CD2-OH 3.28Å; F117-Y208 WeakPolarHBondContact CD2-OH 3.41Å; F117-Y208 HydrophobicContact CG-CE1 4.47Å; D205-Y208 HydrophobicContact CB-CD2 3.97Å; D205-Y208 HydrophobicContact CB-CE2 3.89Å; D205-Y208 WeakPolarHBondContact O-CD2 3.36Å; D205-Y208 PolarHBondContact O-N 3.34Å; L206-Y208 PolarHBondContact O-N 2.84Å; L206-Y208 VanDerWaalsContact O-N 3.11Å; Y208-Y220 VanDerWaalsContact O-CE2 3.32Å; Y208-Y220 WeakPolarHBondContact O-CE2 2.76Å; Y208-Y220 PolarHBondContact O-OH 3.1Å; Y208-P223 HydrophobicContact CD1-CB 4.3Å; Y208-P223 HydrophobicContact CD2-CB 3.51Å; Y208-P223 HydrophobicContact CD2-CG 3.87Å; Y208-P223 HydrophobicContact CE2-CB 3.85Å; Y208-P223 HydrophobicContact CG-CB 3.76Å; Y208-P223 HydrophobicContact CG-CG 3.78Å
209Y94.2Very high92.5Very high10 Ų1042.6 Ų42.64%0.03922%0.222CC..  trans-113149.5-175.9-59.1-84.3000111.4Y98 F99 L146 L152 P154 F204 D205 L206 M207 P223Y98-Y209 WeakPolarHBondContact CA-O 3.4Å; F99-Y209 PolarHBondContact N-O 3.17Å; L146-Y209 WeakPolarHBondContact CD2-OH 3.39Å; L152-Y209 HydrophobicContact CD2-CE1 4.41Å; P154-Y209 VanDerWaalsContact CD-CD1 3.4Å; P154-Y209 HydrophobicContact CG-CD1 3.72Å; P154-Y209 HydrophobicContact CG-CD2 3.66Å; P154-Y209 HydrophobicContact CG-CE1 3.71Å; P154-Y209 HydrophobicContact CG-CE2 3.66Å; P154-Y209 HydrophobicContact CG-CG 3.7Å; F204-Y209 HydrophobicContact CB-CE2 4.18Å; D205-Y209 WeakPolarHBondContact O-CD2 3.45Å; L206-Y209 PolarHBondContact O-N 2.83Å; M207-Y209 PolarHBondContact O-N 3.08Å; Y209-P223 HydrophobicContact CE2-CG 4.36Å
210P93.9Very high92.5Very high7 Ų742 Ų425%0.04522%0.217CC..  cis-82.7156.4-1.332.7-34.5000113.6L100 L152 M153 Y212L100-P210 HydrophobicContact CD2-CG 4.05Å; L152-P210 WeakPolarHBondContact O-CA 3.41Å; M153-P210 HydrophobicContact CG-CB 4.01Å; M153-P210 HydrophobicContact CG-CG 4.45Å; P210-Y212 HydrophobicContact CG-CE1 4.35Å; P210-Y212 HydrophobicContact CG-CE2 3.85Å; P210-Y212 WeakPolarHBondContact O-CD2 3.31Å
211Y93.9Very high92.6Very high18 Ų1838.9 Ų38.97%0.07120%0.195CC..BIsolated β-bridgetrans-80.6129.6169.3175.6-121.2000110.4R148 I150 G151 G213 K214 Y220R148-Y211 HydrophobicContact CB-CD1 3.71Å; R148-Y211 HydrophobicContact CB-CE1 3.86Å; R148-Y211 HydrophobicContact CB-CG 4.18Å; I150-Y211 CarbonylContact C-O 3.58Å; I150-Y211 VanDerWaalsContact CA-O 3.24Å; I150-Y211 WeakPolarHBondContact CA-O 3.32Å; I150-Y211 HydrophobicContact CG1-CD1 3.78Å; I150-Y211 HydrophobicContact CG1-CE1 3.89Å; G151-Y211 PolarHBondContact N-O 3.25Å; Y211-G213 VanDerWaalsContact CZ-CA 3.41Å; Y211-K214 PolarHBondContact OH-N 3.35Å; Y211-Y220 AromaticContact CD2-CD1 3.74Å; Y211-Y220 HydrophobicContact CD2-CD1 3.74Å; Y211-Y220 AromaticContact CD2-CD2 3.77Å; Y211-Y220 HydrophobicContact CD2-CD2 3.77Å; Y211-Y220 AromaticContact CD2-CE1 3.95Å; Y211-Y220 HydrophobicContact CD2-CE1 3.95Å; Y211-Y220 AromaticContact CD2-CE2 3.98Å; Y211-Y220 HydrophobicContact CD2-CE2 3.98Å; Y211-Y220 AromaticContact CD2-CG 3.63Å; Y211-Y220 HydrophobicContact CD2-CG 3.63Å; Y211-Y220 AromaticContact CE2-CD1 3.84Å; Y211-Y220 HydrophobicContact CE2-CD1 3.84Å; Y211-Y220 HydrophobicContact CE2-CD2 4.3Å; Y211-Y220 HydrophobicContact CE2-CE1 4.43Å; Y211-Y220 AromaticContact CE2-CG 3.74Å; Y211-Y220 HydrophobicContact CE2-CG 3.74Å
212Y91.8Very high92.9Very high49 Ų4932.7 Ų32.719%0.19216%0.161CC..  trans-1016.4-177-69.4-84.1000114.2Q101 K112 P210 A216Q101-Y212 HydrophobicContact CB-CE2 4.24Å; Q101-Y212 PolarHBondContact N-OH 3.47Å; K112-Y212 HydrophobicContact CD-CD1 3.47Å; K112-Y212 VanDerWaalsContact CD-CD1 3.47Å; K112-Y212 HydrophobicContact CD-CD2 3.52Å; K112-Y212 HydrophobicContact CD-CE1 3.9Å; K112-Y212 HydrophobicContact CD-CE2 3.94Å; K112-Y212 HydrophobicContact CD-CG 3.26Å; K112-Y212 VanDerWaalsContact CE-CD1 3.48Å; P210-Y212 HydrophobicContact CG-CE1 4.35Å; P210-Y212 HydrophobicContact CG-CE2 3.85Å; P210-Y212 WeakPolarHBondContact O-CD2 3.31Å; Y212-A216 WeakPolarHBondContact O-CB 3.45Å
213G91.4Very high93Very high3 Ų332.8 Ų32.83%0.03116%0.162CC..  trans93160.3179.200000113.5Y211 K215 A216 Q217Y211-G213 VanDerWaalsContact CZ-CA 3.41Å; G213-K215 VanDerWaalsContact C-N 3.31Å; G213-K215 PolarHBondContact O-N 2.96Å; G213-A216 PolarHBondContact O-N 3.4Å; G213-Q217 PolarHBondContact O-N 3.33Å
214K91.3Very high93.2Very high157 Ų15730.9 Ų30.968%0.68315%0.15SC*.THydrogen-bonded Turntrans-66.2-32.3-170.7-175.3179176.9-174.50112.9Y211 Q217 V218Y211-K214 PolarHBondContact OH-N 3.35Å; K214-Q217 CarbonylContact O-C 3.49Å; K214-V218 WeakPolarHBondContact O-CA 3.36Å
215K89.4Confident93.3Very high113 Ų11330.8 Ų30.849%0.49115%0.15SC..THydrogen-bonded Turntrans-71.9-37.2177.3-71.9-164.3-178.5177.30112.2D31 G213D31-K215 HydrophobicContact CB-CD 4.03Å; D31-K215 WeakPolarHBondContact O-CD 3.3Å; D31-K215 IonicContact OD1-NZ 3.12Å; D31-K215 PolarHBondContact OD1-NZ 3.25Å; D31-K215 IonicContact OD2-NZ 2.82Å; D31-K215 PolarHBondContact OD2-NZ 3.16Å; G213-K215 VanDerWaalsContact C-N 3.31Å; G213-K215 PolarHBondContact O-N 2.96Å
216A89.7Confident93.4Very high3 Ų329.1 Ų29.13%0.02514%0.141CC..THydrogen-bonded Turntrans-79.5-41.8178.500000112P111 K112 Y212 G213P111-A216 CarbonylContact C-O 3.51Å; P111-A216 WeakPolarHBondContact CA-O 3.43Å; K112-A216 HydrophobicContact CD-CB 4.39Å; K112-A216 HydrophobicContact CG-CB 4.41Å; K112-A216 PolarHBondContact N-O 3.4Å; Y212-A216 WeakPolarHBondContact O-CB 3.45Å; G213-A216 PolarHBondContact O-N 3.4Å
217Q90.5Very high93.6Very high5 Ų529 Ų292%0.02314%0.14CC..  trans-120.782.4-178.4-68.6177.7-4700110.9K112 R113 S114 G213 K214 N219 Y220K112-Q217 HydrophobicContact CB-CG 3.73Å; R113-Q217 PolarHBondContact O-NE2 2.87Å; S114-Q217 WeakPolarHBondContact OG-CB 3.4Å; G213-Q217 PolarHBondContact O-N 3.33Å; K214-Q217 CarbonylContact O-C 3.49Å; Q217-N219 VanDerWaalsContact C-N 3.34Å; Q217-N219 PolarHBondContact O-N 3.47Å; Q217-Y220 PolarHBondContact O-N 3.03Å
218V89.9Confident93.7Very high102 Ų10229.1 Ų29.162%0.61814%0.14SC*.THydrogen-bonded Turntrans-64.8-38-175.5-177.80000112.2K214K214-V218 WeakPolarHBondContact O-CA 3.36Å
219N92.3Very high93.7Very high71 Ų7128.7 Ų28.738%0.3814%0.138SC..THydrogen-bonded Turntrans-95.912.1-176.2-64.7-29.3000113.9K89 N90 Q217 S221K89-N219 HydrophobicContact CB-CB 4.17Å; K89-N219 PolarHBondContact O-ND2 3.42Å; N90-N219 PolarHBondContact ND2-O 3.27Å; N90-N219 VanDerWaalsContact OD1-CB 3.28Å; N90-N219 WeakPolarHBondContact OD1-CB 3.05Å; N90-N219 PolarHBondContact OD1-O 3.19Å; N90-N219 VanDerWaalsContact OD1-O 3.07Å; Q217-N219 VanDerWaalsContact C-N 3.34Å; Q217-N219 PolarHBondContact O-N 3.47Å; N219-S221 PolarHBondContact O-N 3.34Å; N219-S221 PolarHBondContact O-OG 2.88Å
220Y94.3Very high93.7Very high18 Ų1830.5 Ų30.57%0.07115%0.149CC..  trans-52.4115.7-176.7-176.1-93.1000111.9S114 R148 Y208 Y211 Q217 Q222S114-Y220 WeakPolarHBondContact OG-CA 3.38Å; S114-Y220 PolarHBondContact OG-N 2.75Å; R148-Y220 HydrophobicContact CG-CE1 4.05Å; Y208-Y220 VanDerWaalsContact O-CE2 3.32Å; Y208-Y220 WeakPolarHBondContact O-CE2 2.76Å; Y208-Y220 PolarHBondContact O-OH 3.1Å; Y211-Y220 AromaticContact CD2-CD1 3.74Å; Y211-Y220 HydrophobicContact CD2-CD1 3.74Å; Y211-Y220 AromaticContact CD2-CD2 3.77Å; Y211-Y220 HydrophobicContact CD2-CD2 3.77Å; Y211-Y220 AromaticContact CD2-CE1 3.95Å; Y211-Y220 HydrophobicContact CD2-CE1 3.95Å; Y211-Y220 AromaticContact CD2-CE2 3.98Å; Y211-Y220 HydrophobicContact CD2-CE2 3.98Å; Y211-Y220 AromaticContact CD2-CG 3.63Å; Y211-Y220 HydrophobicContact CD2-CG 3.63Å; Y211-Y220 AromaticContact CE2-CD1 3.84Å; Y211-Y220 HydrophobicContact CE2-CD1 3.84Å; Y211-Y220 HydrophobicContact CE2-CD2 4.3Å; Y211-Y220 HydrophobicContact CE2-CE1 4.43Å; Y211-Y220 AromaticContact CE2-CG 3.74Å; Y211-Y220 HydrophobicContact CE2-CG 3.74Å; Q217-Y220 PolarHBondContact O-N 3.03Å; Y220-Q222 HydrophobicContact CD1-CB 4.35Å; Y220-Q222 HydrophobicContact CE1-CB 3.83Å; Y220-Q222 HydrophobicContact CE1-CG 4.25Å
221S94.4Very high93.5Very high11 Ų1135.4 Ų35.48%0.07718%0.175CC..PPolyproline II helixtrans-98.5120.4174.5-65.20000108Q86 N90 N219Q86-S221 PolarHBondContact NE2-OG 3.06Å; Q86-S221 PolarHBondContact OE1-OG 3.01Å; N90-S221 PolarHBondContact ND2-OG 3.07Å; N219-S221 PolarHBondContact O-N 3.34Å; N219-S221 PolarHBondContact O-OG 2.88Å
222Q94.6Very high93.4Very high5 Ų535.2 Ų35.22%0.02317%0.174CC..PPolyproline II helixtrans-84.9135.5-173.5-175.5176.2-14.200109.2Y81 K145 L146 R148 Y220Y81-Q222 VanDerWaalsContact CE1-O 3.31Å; Y81-Q222 WeakPolarHBondContact CE1-O 3.24Å; Y81-Q222 PolarHBondContact OH-O 3.17Å; K145-Q222 VanDerWaalsContact CE-NE2 3.27Å; K145-Q222 HydrophobicContact CG-CG 4.47Å; K145-Q222 VanDerWaalsContact CG-NE2 3.26Å; L146-Q222 PolarHBondContact O-NE2 3.46Å; R148-Q222 VanDerWaalsContact CD-OE1 3.29Å; R148-Q222 HydrophobicContact CG-CB 4.47Å; R148-Q222 HydrophobicContact CG-CG 3.92Å; R148-Q222 VanDerWaalsContact CG-OE1 3.23Å; Y220-Q222 HydrophobicContact CD1-CB 4.35Å; Y220-Q222 HydrophobicContact CE1-CB 3.83Å; Y220-Q222 HydrophobicContact CE1-CG 4.25Å
223P95.9Very high93.4Very high2 Ų235.2 Ų35.21%0.01318%0.179CC..PPolyproline II helixtrans-66.1145.6-177.830-37.2000110.7F117 F204 Y208 Y209F117-P223 HydrophobicContact CD2-CB 3.99Å; F117-P223 HydrophobicContact CE2-CB 4.11Å; F204-P223 HydrophobicContact CB-CB 4.48Å; F204-P223 HydrophobicContact CB-CG 4.22Å; F204-P223 HydrophobicContact CD1-CB 3.91Å; F204-P223 HydrophobicContact CD1-CG 3.92Å; F204-P223 HydrophobicContact CG-CG 4.48Å; Y208-P223 HydrophobicContact CD1-CB 4.3Å; Y208-P223 HydrophobicContact CD2-CB 3.51Å; Y208-P223 HydrophobicContact CD2-CG 3.87Å; Y208-P223 HydrophobicContact CE2-CB 3.85Å; Y208-P223 HydrophobicContact CG-CB 3.76Å; Y208-P223 HydrophobicContact CG-CG 3.78Å; Y209-P223 HydrophobicContact CE2-CG 4.36Å
224L97.1Very high93.5Very high1 Ų138 Ų381%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-122.1148-176.4-54.8176.9000109.4F77 L78 Y81 F117 L122 I143 K145F77-L224 HydrophobicContact CE1-CD1 3.78Å; F77-L224 HydrophobicContact CE1-CD2 4.08Å; F77-L224 HydrophobicContact CZ-CD1 4.2Å; F77-L224 HydrophobicContact CZ-CD2 3.82Å; L78-L224 HydrophobicContact CD2-CD1 3.72Å; Y81-L224 HydrophobicContact CD1-CD1 4.23Å; Y81-L224 HydrophobicContact CD2-CD1 4.09Å; Y81-L224 HydrophobicContact CE1-CD1 3.98Å; Y81-L224 HydrophobicContact CE1-CG 4.21Å; Y81-L224 HydrophobicContact CE2-CD1 3.84Å; Y81-L224 HydrophobicContact CG-CD1 4.26Å; F117-L224 HydrophobicContact CE1-CB 3.87Å; F117-L224 HydrophobicContact CE1-CD1 4.1Å; F117-L224 HydrophobicContact CE1-CG 4.09Å; F117-L224 HydrophobicContact CE2-CB 4.39Å; F117-L224 VanDerWaalsContact CE2-N 3.28Å; F117-L224 HydrophobicContact CZ-CB 3.69Å; F117-L224 HydrophobicContact CZ-CG 4.32Å; F117-L224 VanDerWaalsContact CZ-O 3.27Å; F117-L224 WeakPolarHBondContact CZ-O 3.46Å; L122-L224 HydrophobicContact CD1-CD1 4.32Å; L122-L224 HydrophobicContact CD2-CB 4.23Å; I143-L224 HydrophobicContact CG2-CB 3.9Å; I143-L224 HydrophobicContact CG2-CD1 4.22Å; I143-L224 HydrophobicContact CG2-CD2 4.13Å; I143-L224 HydrophobicContact CG2-CG 4.31Å; K145-L224 HydrophobicContact CB-CD2 4.25Å; K145-L224 HydrophobicContact CD-CD2 4.49Å; K145-L224 HydrophobicContact CG-CD2 4.22Å
225V97.3Very high93.6Very high0 Ų034 Ų340%018%0.182CC..EExtended strand (participates in β ladder)trans-124.8126.6169.2168.90000107.2I143 I144 Y197 F198 T203 F204I143-V225 CarbonylContact C-O 3.56Å; I144-V225 WeakPolarHBondContact CA-O 3.35Å; I144-V225 PolarHBondContact N-O 2.98Å; I144-V225 PolarHBondContact O-N 3.18Å; Y197-V225 HydrophobicContact CD1-CG1 4.25Å; F198-V225 CarbonylContact O-C 3.23Å; F198-V225 WeakPolarHBondContact O-CA 3.24Å; T203-V225 WeakPolarHBondContact O-CG2 3.35Å; F204-V225 HydrophobicContact CD1-CG2 3.8Å; F204-V225 HydrophobicContact CE1-CB 4.13Å; F204-V225 HydrophobicContact CE1-CG2 3.53Å; F204-V225 HydrophobicContact CE2-CG2 4.28Å; F204-V225 HydrophobicContact CG-CG2 4.29Å; F204-V225 HydrophobicContact CZ-CB 4.22Å; F204-V225 HydrophobicContact CZ-CG2 3.79Å
226A97.2Very high93.7Very high0 Ų032.8 Ų32.80%018%0.178CC..EExtended strand (participates in β ladder)trans-95.9140.917000000110.4L122 C125 I142 I143 Y197 F198L122-A226 HydrophobicContact CD2-CB 4.01Å; C125-A226 HydrophobicContact CB-CB 3.47Å; C125-A226 VanDerWaalsContact CB-CB 3.47Å; I142-A226 CarbonylContact O-C 3.57Å; I142-A226 WeakPolarHBondContact O-CA 3.42Å; I143-A226 HydrophobicContact CG1-CB 4.4Å; Y197-A226 CarbonylContact C-O 3.47Å; Y197-A226 WeakPolarHBondContact CA-O 3.42Å; F198-A226 HydrophobicContact CB-CB 4.37Å; F198-A226 PolarHBondContact N-O 2.74Å; F198-A226 PolarHBondContact O-N 2.83Å
227V96.8Very high93.7Very high0 Ų035.3 Ų35.30%019%0.191CC..EExtended strand (participates in β ladder)trans-113.5125.8166.358.80000108.2C141 I142 I144 M195 I196 Y197 F229C141-V227 WeakPolarHBondContact CA-O 3.44Å; I142-V227 HydrophobicContact CB-CG1 3.98Å; I142-V227 PolarHBondContact N-O 3.34Å; I142-V227 WeakPolarHBondContact O-CG1 3.11Å; I142-V227 PolarHBondContact O-N 3.41Å; I144-V227 HydrophobicContact CD1-CG1 3.98Å; I144-V227 HydrophobicContact CG1-CG1 4.38Å; M195-V227 HydrophobicContact CB-CG2 4.09Å; M195-V227 HydrophobicContact SD-CG2 4.4Å; I196-V227 CarbonylContact O-C 3.43Å; I196-V227 WeakPolarHBondContact O-CA 2.98Å; Y197-V227 HydrophobicContact CD1-CB 4.11Å; Y197-V227 HydrophobicContact CD1-CG2 4.25Å; Y197-V227 HydrophobicContact CE1-CB 4.06Å; Y197-V227 HydrophobicContact CE1-CG2 3.92Å; V227-F229 HydrophobicContact CG1-CE2 3.85Å; V227-F229 HydrophobicContact CG1-CZ 4.12Å; V227-F229 HydrophobicContact CG2-CE2 4.16Å; V227-F229 HydrophobicContact CG2-CZ 4.09Å
228K96.1Very high93.8Very high26 Ų2635 Ų3511%0.11319%0.19CC..EExtended strand (participates in β ladder)trans-108123.6174.6-171.5172.1-176.3169.10109.1A124 K139 M195 I196 F198 L230A124-K228 HydrophobicContact CB-CD 4.48Å; K139-K228 WeakPolarHBondContact O-CE 3.36Å; M195-K228 VanDerWaalsContact CA-O 3.29Å; M195-K228 WeakPolarHBondContact CA-O 3.33Å; I196-K228 HydrophobicContact CD1-CB 4.26Å; I196-K228 HydrophobicContact CD1-CD 4.33Å; I196-K228 HydrophobicContact CG1-CB 3.71Å; I196-K228 HydrophobicContact CG1-CG 4.5Å; I196-K228 PolarHBondContact N-O 3.5Å; I196-K228 PolarHBondContact O-N 3.04Å; F198-K228 HydrophobicContact CE2-CB 4.09Å; F198-K228 HydrophobicContact CE2-CD 4.46Å; K228-L230 HydrophobicContact CD-CD2 4.37Å; K228-L230 HydrophobicContact CG-CD2 4.33Å
229F95.4Very high93.9Very high1 Ų133.1 Ų33.10%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-84.3116.5176-63.9-89.7000108.5K139 P140 I142 M195 V227 I232 I240 F264 L266K139-F229 CarbonylContact C-O 3.57Å; K139-F229 WeakPolarHBondContact CA-O 3.24Å; K139-F229 WeakPolarHBondContact CB-O 3.31Å; P140-F229 PolarHBondContact O-N 2.97Å; I142-F229 HydrophobicContact CB-CE2 4.41Å; I142-F229 HydrophobicContact CD1-CD2 4.33Å; I142-F229 HydrophobicContact CD1-CE2 3.69Å; I142-F229 HydrophobicContact CG1-CE2 4.08Å; M195-F229 HydrophobicContact CB-CD1 4.46Å; V227-F229 HydrophobicContact CG1-CE2 3.85Å; V227-F229 HydrophobicContact CG1-CZ 4.12Å; V227-F229 HydrophobicContact CG2-CE2 4.16Å; V227-F229 HydrophobicContact CG2-CZ 4.09Å; F229-I232 HydrophobicContact CD1-CD1 4.45Å; F229-I240 HydrophobicContact CD1-CD1 4.43Å; F229-I240 HydrophobicContact CE1-CD1 3.63Å; F229-I240 HydrophobicContact CE1-CG1 4.36Å; F229-I240 HydrophobicContact CZ-CD1 3.71Å; F229-I240 HydrophobicContact CZ-CG2 4.28Å; F229-F264 HydrophobicContact CE2-CZ 4.4Å; F229-F264 HydrophobicContact CZ-CZ 4.08Å; F229-L266 HydrophobicContact CD2-CD2 4.1Å; F229-L266 HydrophobicContact CE2-CD2 4.36Å; F229-L266 HydrophobicContact CG-CD2 4.28Å
230L93.9Very high93.9Very high49 Ų4929.8 Ų29.826%0.25716%0.158SC..SBendtrans-90-37.5-179-63.1-176.9000112.2K139 E194 I196 K228K139-L230 HydrophobicContact CD-CD2 4.43Å; K139-L230 VanDerWaalsContact CE-O 3.3Å; K139-L230 WeakPolarHBondContact CE-O 3.48Å; E194-L230 HydrophobicContact CB-CB 4.41Å; E194-L230 HydrophobicContact CG-CD1 4.18Å; E194-L230 WeakPolarHBondContact O-CB 3.48Å; E194-L230 PolarHBondContact O-N 3.27Å; I196-L230 HydrophobicContact CD1-CD1 4.28Å; I196-L230 HydrophobicContact CD1-CD2 3.97Å; I196-L230 HydrophobicContact CD1-CG 4.35Å; I196-L230 HydrophobicContact CG1-CD1 4.44Å; I196-L230 HydrophobicContact CG1-CD2 4.33Å; I196-L230 HydrophobicContact CG1-CG 4.31Å; I196-L230 HydrophobicContact CG2-CD1 3.64Å; I196-L230 HydrophobicContact CG2-CG 4.29Å; K228-L230 HydrophobicContact CD-CD2 4.37Å; K228-L230 HydrophobicContact CG-CD2 4.33Å
231N90.4Very high93.8Very high110 Ų11029.3 Ų29.359%0.58816%0.157SC*.SBendtrans-136.9107.3-179.7-170.46.4000108.7G193 E194G193-N231 CarbonylContact C-O 3.59Å; G193-N231 WeakPolarHBondContact CA-O 3.04Å; G193-N231 PolarHBondContact N-O 2.86Å; E194-N231 PolarHBondContact O-N 2.8Å
232I91.8Very high93.7Very high13 Ų1328.8 Ų28.87%0.06715%0.153CC..BIsolated β-bridgetrans-134.4140.9177.2-171.3173.1000108.9F229 V234 V238 I240 L266 I268F229-I232 HydrophobicContact CD1-CD1 4.45Å; I232-V234 PolarHBondContact O-N 3.5Å; I232-V238 HydrophobicContact CD1-CB 4.22Å; I232-V238 HydrophobicContact CD1-CG1 4.31Å; I232-V238 HydrophobicContact CD1-CG2 4.2Å; I232-V238 HydrophobicContact CG1-CG2 4.14Å; I232-I240 HydrophobicContact CD1-CD1 4.39Å; I232-L266 HydrophobicContact CD1-CB 4.35Å; I232-L266 HydrophobicContact CD1-CD2 3.42Å; I232-L266 VanDerWaalsContact CD1-CD2 3.42Å; I232-L266 HydrophobicContact CD1-CG 3.89Å; I232-I268 HydrophobicContact CG2-CD1 3.39Å; I232-I268 HydrophobicContact CG2-CG1 4.37Å
233T91.9Very high93.6Very high49 Ų4931.7 Ų31.730%0.30117%0.165SC..  trans-63.9120.4-179.2-57.20000110.7K191 Q236K191-T233 WeakPolarHBondContact CA-OG1 3.46Å; K191-T233 PolarHBondContact O-N 3.23Å; K191-T233 VanDerWaalsContact O-N 3.09Å; K191-T233 PolarHBondContact O-OG1 3.17Å; T233-Q236 HydrophobicContact CG2-CB 4.41Å; T233-Q236 HydrophobicContact CG2-CG 4.24Å
234V92.8Very high93.4Very high61 Ų6132.2 Ų32.237%0.3717%0.168SC..THydrogen-bonded Turntrans-78.8159.8177.2-62.90000111.7I232 Q236 I268I232-V234 PolarHBondContact O-N 3.5Å; V234-Q236 PolarHBondContact O-N 2.96Å; V234-Q236 VanDerWaalsContact O-N 3.17Å; V234-I268 CarbonylContact C-O 3.38Å; V234-I268 WeakPolarHBondContact CA-O 3.44Å; V234-I268 HydrophobicContact CG1-CB 4.44Å; V234-I268 HydrophobicContact CG1-CG2 4.27Å
235N93.2Very high93.1Very high74 Ų7436.3 Ų36.340%0.39619%0.187SC..THydrogen-bonded Turntrans61.316.6178.7-61.4-38.2000115.2I268 N269 S270N235-I268 PolarHBondContact N-O 2.93Å; N235-N269 VanDerWaalsContact OD1-CA 3.28Å; N235-N269 WeakPolarHBondContact OD1-CA 3.44Å; N235-S270 PolarHBondContact ND2-O 3.48Å; N235-S270 PolarHBondContact OD1-N 3.1Å; N235-S270 PolarHBondContact OD1-O 3.49Å
236Q91.4Very high92.6Very high88 Ų8837.3 Ų37.341%0.41120%0.195SC..SBendtrans-131.1157.4176.4-64.4-171.38.800111.3T233 V234T233-Q236 HydrophobicContact CG2-CB 4.41Å; T233-Q236 HydrophobicContact CG2-CG 4.24Å; V234-Q236 PolarHBondContact O-N 2.96Å; V234-Q236 VanDerWaalsContact O-N 3.17Å
237D90.9Very high92Very high55 Ų5542.1 Ų42.129%0.29422%0.221SC..  trans-83.2124.1172.9-69.6-9.8000109.1K265 R267D237-K265 VanDerWaalsContact CG-NZ 3.25Å; D237-K265 WeakPolarHBondContact OD1-CE 3.38Å; D237-K265 IonicContact OD1-NZ 3.09Å; D237-K265 WeakPolarHBondContact OD2-CE 3.46Å; D237-K265 IonicContact OD2-NZ 3.7Å; D237-K265 PolarHBondContact OD2-NZ 3.26Å; D237-R267 VanDerWaalsContact OD1-CD 3.23Å; D237-R267 WeakPolarHBondContact OD1-CD 3.4Å; D237-R267 IonicContact OD1-CZ 2.98Å; D237-R267 IonicContact OD1-NE 2.72Å; D237-R267 IonicContact OD1-NH1 2.8Å; D237-R267 PolarHBondContact OD1-NH1 3.33Å; D237-R267 IonicContact OD2-NH1 3.88Å
238V91.9Very high91.3Very high0 Ų045.9 Ų45.90%024%0.241CC..EExtended strand (participates in β ladder)trans-119.4120.8178.7-1730000109.4D188 K191 I192 I232 I240 K265 L266D188-V238 HydrophobicContact CB-CG1 4.3Å; K191-V238 HydrophobicContact CB-CG1 4.21Å; K191-V238 HydrophobicContact CB-CG2 3.94Å; K191-V238 HydrophobicContact CD-CG2 4.42Å; I192-V238 HydrophobicContact CD1-CG1 3.97Å; I192-V238 HydrophobicContact CG1-CG1 3.41Å; I192-V238 VanDerWaalsContact CG1-CG1 3.41Å; I232-V238 HydrophobicContact CD1-CB 4.22Å; I232-V238 HydrophobicContact CD1-CG1 4.31Å; I232-V238 HydrophobicContact CD1-CG2 4.2Å; I232-V238 HydrophobicContact CG1-CG2 4.14Å; V238-I240 HydrophobicContact CG1-CD1 4.48Å; V238-I240 HydrophobicContact CG1-CG1 4.13Å; V238-K265 WeakPolarHBondContact O-CA 3.43Å; V238-L266 PolarHBondContact N-O 3.07Å; V238-L266 PolarHBondContact O-N 2.91Å
239N91.9Very high90.5Very high61 Ų6145.5 Ų45.533%0.32624%0.24SC..EExtended strand (participates in β ladder)trans-93.7114.4177.8-59.2-81.4000110.3K168 D188K168-N239 HydrophobicContact CB-CB 3.95Å; K168-N239 HydrophobicContact CD-CB 4.31Å; K168-N239 PolarHBondContact N-O 3.1Å; D188-N239 WeakPolarHBondContact OD2-CB 3.42Å; D188-N239 PolarHBondContact OD2-N 3.49Å; D188-N239 PolarHBondContact OD2-ND2 3.07Å
240I92Very high89.7Confident1 Ų148.9 Ų48.91%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-108137.1-177.8-60.8154000108.7C165 G166 I192 F229 I232 V238 S263 F264 L266C165-I240 HydrophobicContact CB-CG2 4.23Å; G166-I240 CarbonylContact O-C 3.57Å; G166-I240 WeakPolarHBondContact O-CA 3.07Å; I192-I240 HydrophobicContact CD1-CG1 3.69Å; I192-I240 HydrophobicContact CG1-CG1 4.21Å; F229-I240 HydrophobicContact CD1-CD1 4.43Å; F229-I240 HydrophobicContact CE1-CD1 3.63Å; F229-I240 HydrophobicContact CE1-CG1 4.36Å; F229-I240 HydrophobicContact CZ-CD1 3.71Å; F229-I240 HydrophobicContact CZ-CG2 4.28Å; I232-I240 HydrophobicContact CD1-CD1 4.39Å; V238-I240 HydrophobicContact CG1-CD1 4.48Å; V238-I240 HydrophobicContact CG1-CG1 4.13Å; I240-S263 CarbonylContact O-C 3.57Å; I240-S263 VanDerWaalsContact O-CA 3.3Å; I240-S263 WeakPolarHBondContact O-CA 3.24Å; I240-F264 HydrophobicContact CB-CD1 4.48Å; I240-F264 HydrophobicContact CB-CD2 4.45Å; I240-F264 HydrophobicContact CB-CE1 4.02Å; I240-F264 HydrophobicContact CB-CE2 3.97Å; I240-F264 HydrophobicContact CB-CZ 3.74Å; I240-F264 HydrophobicContact CD1-CD2 4.46Å; I240-F264 HydrophobicContact CD1-CE2 3.6Å; I240-F264 HydrophobicContact CD1-CZ 3.89Å; I240-F264 HydrophobicContact CG1-CE2 4.38Å; I240-F264 HydrophobicContact CG1-CZ 4.44Å; I240-F264 HydrophobicContact CG2-CE1 3.74Å; I240-F264 HydrophobicContact CG2-CE2 4.32Å; I240-F264 HydrophobicContact CG2-CZ 3.59Å; I240-F264 PolarHBondContact N-O 3.41Å; I240-F264 PolarHBondContact O-N 3.01Å; I240-L266 HydrophobicContact CD1-CB 3.76Å; I240-L266 HydrophobicContact CD1-CD2 3.93Å
241E92.1Very high88.6Confident9 Ų952.7 Ų52.74%0.04229%0.288CS..EExtended strand (participates in β ladder)trans-122.3125.6171.1-171.3176.260.800109.5C165 G166 K168 K243 R261 V262 S263C165-E241 CarbonylContact C-O 3.57Å; C165-E241 WeakPolarHBondContact CA-O 3.07Å; G166-E241 PolarHBondContact N-O 3.35Å; G166-E241 PolarHBondContact O-N 2.89Å; K168-E241 HydrophobicContact CB-CB 4.1Å; K168-E241 HydrophobicContact CG-CB 4.22Å; E241-K243 HydrophobicContact CG-CG 4.4Å; E241-K243 WeakPolarHBondContact OE1-CE 3.35Å; E241-K243 IonicContact OE1-NZ 2.78Å; E241-K243 PolarHBondContact OE1-NZ 3.41Å; E241-K243 VanDerWaalsContact OE1-NZ 3.12Å; E241-R261 WeakPolarHBondContact OE2-CD 3.4Å; E241-R261 IonicContact OE2-CZ 3.66Å; E241-R261 IonicContact OE2-NE 3.27Å; E241-R261 IonicContact OE2-NH1 3.11Å; E241-R261 PolarHBondContact OE2-NH1 3.45Å; E241-V262 WeakPolarHBondContact CA-O 3.36Å; E241-S263 PolarHBondContact OE2-OG 2.94Å
242C92.9Very high87.5Confident0 Ų048.6 Ų48.60%027%0.271CS..EExtended strand (participates in β ladder)trans-106.8133.7172.6-57.30000110I144 V163 T164 C165 R261 V262I144-C242 HydrophobicContact CD1-CB 4Å; V163-C242 HydrophobicContact CG1-CB 3.98Å; T164-C242 CarbonylContact O-C 3.52Å; T164-C242 VanDerWaalsContact O-CA 3.25Å; T164-C242 WeakPolarHBondContact O-CA 3.42Å; C165-C242 HydrophobicContact CB-CB 4.08Å; C165-C242 WeakPolarHBondContact CB-SG 3.37Å; C165-C242 WeakPolarHBondContact SG-CB 3.37Å; C165-C242 CovalentContact SG-SG 2.04Å; C165-C242 PolarHBondContact SG-SG 3.24Å; C242-R261 CarbonylContact O-C 3.37Å; C242-R261 WeakPolarHBondContact O-CA 3.3Å; C242-R261 WeakPolarHBondContact O-CB 3.46Å; C242-V262 HydrophobicContact CB-CG1 3.94Å; C242-V262 PolarHBondContact N-O 3.46Å; C242-V262 PolarHBondContact O-N 2.99Å
243K92Very high86.3Confident65 Ų6554 Ų5428%0.28330%0.3SS..EExtended strand (participates in β ladder)trans-122.8140.7-176.5-62.9177.1-175.3168.60110.2V163 T164 D169 E241 G260 R261V163-K243 WeakPolarHBondContact CA-O 3.45Å; T164-K243 PolarHBondContact N-O 3.34Å; T164-K243 PolarHBondContact O-N 3.11Å; D169-K243 IonicContact OD2-NZ 2.77Å; D169-K243 PolarHBondContact OD2-NZ 2.98Å; E241-K243 HydrophobicContact CG-CG 4.4Å; E241-K243 WeakPolarHBondContact OE1-CE 3.35Å; E241-K243 IonicContact OE1-NZ 2.78Å; E241-K243 PolarHBondContact OE1-NZ 3.41Å; E241-K243 VanDerWaalsContact OE1-NZ 3.12Å; K243-G260 WeakPolarHBondContact CA-O 3.32Å; K243-R261 HydrophobicContact CG-CB 4.02Å
244I91.9Very high85.1Confident13 Ų1357.4 Ų57.47%0.06731%0.313CS..EExtended strand (participates in β ladder)trans-85.2135170-166.468.4000109.3L45 L146 P161 S162 V163 F204 I249 G260L45-I244 HydrophobicContact CD1-CB 4.21Å; L45-I244 HydrophobicContact CD2-CB 4.41Å; L45-I244 HydrophobicContact CG-CB 4.43Å; L146-I244 HydrophobicContact CD1-CD1 4.49Å; L146-I244 HydrophobicContact CD1-CG1 4.27Å; L146-I244 HydrophobicContact CD2-CD1 4.47Å; P161-I244 HydrophobicContact CB-CD1 4.04Å; P161-I244 HydrophobicContact CB-CG1 4.33Å; S162-I244 CarbonylContact O-C 3.4Å; V163-I244 HydrophobicContact CG2-CD1 3.7Å; F204-I244 HydrophobicContact CD2-CD1 3.8Å; F204-I244 HydrophobicContact CE2-CD1 3.57Å; I244-I249 HydrophobicContact CG1-CD1 4.31Å; I244-I249 HydrophobicContact CG2-CD1 4.46Å; I244-I249 HydrophobicContact CG2-CG2 4.09Å; I244-G260 WeakPolarHBondContact CG2-O 3.38Å; I244-G260 PolarHBondContact N-O 3.43Å
245H90.3Very high83.9Confident87 Ų8766.3 Ų66.340%0.40334%0.34SS..EExtended strand (participates in β ladder)trans-114.4117.1173.6-66.2-84.7000108.9P161 S162 T164P161-H245 VanDerWaalsContact CA-O 3.28Å; P161-H245 WeakPolarHBondContact CA-O 3Å; S162-H245 PolarHBondContact N-O 3.27Å; S162-H245 PolarHBondContact O-N 3.4Å; T164-H245 PolarHBondContact OG1-CD2 2.66Å; T164-H245 PolarHBondContact OG1-NE2 3.14Å
246A88.4Confident82.8Confident21 Ų2166.8 Ų66.817%0.17434%0.343CS..  trans-153.8144.8173.200000109.6P161 N248 I249P161-A246 HydrophobicContact CB-CB 3.8Å; A246-N248 PolarHBondContact O-N 3.23Å; A246-N248 VanDerWaalsContact O-N 3.14Å; A246-I249 HydrophobicContact CB-CB 4.04Å; A246-I249 HydrophobicContact CB-CD1 3.73Å; A246-I249 HydrophobicContact CB-CG1 3.83Å; A246-I249 PolarHBondContact O-N 2.89Å
247N84.3Confident81.8Confident102 Ų10269.8 Ų69.855%0.54535%0.354SS..THydrogen-bonded Turntrans-62.3-25.8-173.7-66.3-23.2000114.3K156 Q159K156-N247 HydrophobicContact CB-CB 4.06Å; Q159-N247 PolarHBondContact OE1-ND2 3.36Å
248N81.8Confident81.1Confident79 Ų7971.6 Ų71.642%0.42236%0.36SS..THydrogen-bonded Turntrans-114.15.6-175.667.8-20.1000113.9M153 G155 A246M153-N248 PolarHBondContact O-ND2 2.9Å; G155-N248 PolarHBondContact N-OD1 3.42Å; A246-N248 PolarHBondContact O-N 3.23Å; A246-N248 VanDerWaalsContact O-N 3.14Å
249I79.9Confident80.7Confident17 Ų1771.9 Ų71.99%0.08736%0.362CS..SBendtrans-100.5113.4172.8-63.3177.5000106.9T42 P43 P154 I244 A246 T251T42-I249 HydrophobicContact CG2-CG2 3.75Å; P43-I249 HydrophobicContact CG-CD1 3.94Å; P154-I249 HydrophobicContact CB-CD1 3.98Å; I244-I249 HydrophobicContact CG1-CD1 4.31Å; I244-I249 HydrophobicContact CG2-CD1 4.46Å; I244-I249 HydrophobicContact CG2-CG2 4.09Å; A246-I249 HydrophobicContact CB-CB 4.04Å; A246-I249 HydrophobicContact CB-CD1 3.73Å; A246-I249 HydrophobicContact CB-CG1 3.83Å; A246-I249 PolarHBondContact O-N 2.89Å; I249-T251 PolarHBondContact O-N 3.49Å
250P77.5Confident80.4Confident72 Ų7269.3 Ų69.347%0.46835%0.35SS..PPolyproline II helixtrans-67.1139.9178.525.2-27.9000109.4T42 G252T42-P250 WeakPolarHBondContact CG2-O 3.42Å; T42-P250 WeakPolarHBondContact OG1-CG 3.4Å; P250-G252 PolarHBondContact O-N 2.83Å
251T71.4Confident80.2Confident129 Ų12971.5 Ų71.579%0.79136%0.358SS*.PPolyproline II helixtrans-58.9125.5172.726.40000109.4I249I249-T251 PolarHBondContact O-N 3.49Å
252G66.4Low80.2Confident24 Ų2471.1 Ų71.125%0.24736%0.356CS..PPolyproline II helixtrans-58.6145.8-175.100000113P250 A259P250-G252 PolarHBondContact O-N 2.83Å; G252-A259 WeakPolarHBondContact CA-O 3.46Å
253N67.9Low80.1Confident126 Ų12672.2 Ų72.267%0.67436%0.364SS*.PPolyproline II helixtrans-74.7156.2176.6-80.4-24000111.8R255 D256 R261N253-R255 PolarHBondContact O-N 2.88Å; N253-D256 CarbonylContact O-C 3.47Å; N253-D256 PolarHBondContact O-N 2.97Å; N253-D256 VanDerWaalsContact O-O 3.05Å; N253-R261 PolarHBondContact O-NH2 3.32Å
254E66.6Low80.1Confident121 Ų12169.4 Ų69.457%0.56535%0.352SS*.THydrogen-bonded Turntrans-56.7-25175.6-72-171.7155.500113.7K182K182-E254 IonicContact NZ-OE2 3.7Å
255R67.3Low80.1Confident249 Ų24970.9 Ų70.994%0.9436%0.358SS*.THydrogen-bonded Turntrans-71.3-32176.7-68.2-173.8-179.1175.81113.2N253N253-R255 PolarHBondContact O-N 2.88Å
256D68.9Low80.3Confident84 Ų8466.7 Ų66.745%0.44934%0.338SS..  trans-108.492.6178.1-166.4-19.9000109.5N253 F258 A259N253-D256 CarbonylContact O-C 3.47Å; N253-D256 PolarHBondContact O-N 2.97Å; N253-D256 VanDerWaalsContact O-O 3.05Å; D256-F258 PolarHBondContact O-N 3.3Å; D256-F258 VanDerWaalsContact O-N 3.16Å; D256-F258 PolarHBondContact OD1-N 3.49Å; D256-A259 HydrophobicContact CB-CB 3.77Å; D256-A259 VanDerWaalsContact CG-CB 3.49Å; D256-A259 PolarHBondContact O-N 2.96Å; D256-A259 PolarHBondContact OD1-N 3.39Å
257K71.1Confident80.5Confident150 Ų15069.7 Ų69.765%0.65235%0.345SS*.THydrogen-bonded Turntrans-66.7-13.9-175.3-65.3179.6-179.5177.20113.3R261K257-R261 WeakPolarHBondContact O-CG 3.38Å
258F76.4Confident81Confident94 Ų9464.9 Ų64.941%0.41232%0.319SS..THydrogen-bonded Turntrans-112.4-8.7-177.9-60.3-73000113.4G44 F55 D256 G260 R261G44-F258 WeakPolarHBondContact CA-O 3.32Å; F55-F258 AromaticContact CD2-CE1 3.83Å; F55-F258 HydrophobicContact CD2-CE1 3.83Å; F55-F258 HydrophobicContact CD2-CZ 4.01Å; F55-F258 HydrophobicContact CE2-CD1 4.32Å; F55-F258 AromaticContact CE2-CE1 3.28Å; F55-F258 HydrophobicContact CE2-CE1 3.28Å; F55-F258 AromaticContact CE2-CZ 3.46Å; F55-F258 HydrophobicContact CE2-CZ 3.46Å; F55-F258 VanDerWaalsContact CE2-CZ 3.46Å; F55-F258 HydrophobicContact CZ-CD1 4.46Å; F55-F258 AromaticContact CZ-CE1 3.79Å; F55-F258 HydrophobicContact CZ-CE1 3.79Å; F55-F258 HydrophobicContact CZ-CZ 4.31Å; D256-F258 PolarHBondContact O-N 3.3Å; D256-F258 VanDerWaalsContact O-N 3.16Å; D256-F258 PolarHBondContact OD1-N 3.49Å; F258-G260 PolarHBondContact O-N 2.89Å; F258-G260 VanDerWaalsContact O-N 3.07Å; F258-R261 CarbonylContact C-O 3.4Å; F258-R261 VanDerWaalsContact CA-O 3.31Å; F258-R261 WeakPolarHBondContact CA-O 3.38Å; F258-R261 PolarHBondContact O-N 3.47Å
259A83.1Confident81.6Confident6 Ų662.7 Ų62.75%0.0531%0.308CS..BIsolated β-bridgetrans-63.6108.6175.300000111.1T42 G252 D256 R261T42-A259 HydrophobicContact CG2-CB 3.87Å; G252-A259 WeakPolarHBondContact CA-O 3.46Å; D256-A259 HydrophobicContact CB-CB 3.77Å; D256-A259 VanDerWaalsContact CG-CB 3.49Å; D256-A259 PolarHBondContact O-N 2.96Å; D256-A259 PolarHBondContact OD1-N 3.39Å; A259-R261 PolarHBondContact O-N 2.86Å
260G85.2Confident82.2Confident7 Ų762.8 Ų62.87%0.07231%0.31CS..THydrogen-bonded Turntrans6811.1178.400000114.8P43 K243 I244 F258P43-G260 WeakPolarHBondContact O-CA 3.32Å; P43-G260 PolarHBondContact O-N 2.8Å; P43-G260 VanDerWaalsContact O-N 3.1Å; K243-G260 WeakPolarHBondContact CA-O 3.32Å; I244-G260 WeakPolarHBondContact CG2-O 3.38Å; I244-G260 PolarHBondContact N-O 3.43Å; F258-G260 PolarHBondContact O-N 2.89Å; F258-G260 VanDerWaalsContact O-N 3.07Å
261R89.5Confident82.4Confident47 Ų4767.1 Ų67.118%0.17732%0.324CS..EExtended strand (participates in β ladder)trans-154.4162-179.263.4-174.7170.6166.6-15112.8E241 C242 K243 N253 K257 F258 A259E241-R261 WeakPolarHBondContact OE2-CD 3.4Å; E241-R261 IonicContact OE2-CZ 3.66Å; E241-R261 IonicContact OE2-NE 3.27Å; E241-R261 IonicContact OE2-NH1 3.11Å; E241-R261 PolarHBondContact OE2-NH1 3.45Å; C242-R261 CarbonylContact O-C 3.37Å; C242-R261 WeakPolarHBondContact O-CA 3.3Å; C242-R261 WeakPolarHBondContact O-CB 3.46Å; K243-R261 HydrophobicContact CG-CB 4.02Å; N253-R261 PolarHBondContact O-NH2 3.32Å; K257-R261 WeakPolarHBondContact O-CG 3.38Å; F258-R261 CarbonylContact C-O 3.4Å; F258-R261 VanDerWaalsContact CA-O 3.31Å; F258-R261 WeakPolarHBondContact CA-O 3.38Å; F258-R261 PolarHBondContact O-N 3.47Å; A259-R261 PolarHBondContact O-N 2.86Å
262V90.8Very high81.9Confident0 Ų071.5 Ų71.50%034%0.342CS..EExtended strand (participates in β ladder)trans-141128.317259.10000108.8L45 I47 F55 E241 C242L45-V262 HydrophobicContact CB-CB 3.88Å; L45-V262 HydrophobicContact CB-CG1 3.69Å; L45-V262 HydrophobicContact CD1-CG1 4.42Å; I47-V262 HydrophobicContact CG2-CB 4.49Å; I47-V262 HydrophobicContact CG2-CG1 3.7Å; I47-V262 HydrophobicContact CG2-CG2 3.98Å; F55-V262 HydrophobicContact CD1-CG2 4.21Å; F55-V262 HydrophobicContact CE1-CG2 4.17Å; E241-V262 WeakPolarHBondContact CA-O 3.36Å; C242-V262 HydrophobicContact CB-CG1 3.94Å; C242-V262 PolarHBondContact N-O 3.46Å; C242-V262 PolarHBondContact O-N 2.99Å
263S90.9Very high82.6Confident23 Ų2373.9 Ų73.916%0.16135%0.347CS..EExtended strand (participates in β ladder)trans-104.8135.8172.4-64.90000109.5F55 I240 E241F55-S263 WeakPolarHBondContact CB-O 3.42Å; I240-S263 CarbonylContact O-C 3.57Å; I240-S263 VanDerWaalsContact O-CA 3.3Å; I240-S263 WeakPolarHBondContact O-CA 3.24Å; E241-S263 PolarHBondContact OE2-OG 2.94Å
264F91.9Very high83.4Confident6 Ų671.1 Ų71.13%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-145158.9173.665.4-87.6000111.1I47 F55 I142 F229 I240 L266I47-F264 HydrophobicContact CD1-CB 3.5Å; I47-F264 HydrophobicContact CD1-CD1 3.76Å; I47-F264 HydrophobicContact CD1-CD2 4.07Å; I47-F264 HydrophobicContact CD1-CE1 4.48Å; I47-F264 HydrophobicContact CD1-CG 3.51Å; I47-F264 HydrophobicContact CG2-CD1 4Å; I47-F264 HydrophobicContact CG2-CE1 4.13Å; F55-F264 HydrophobicContact CB-CB 3.84Å; F55-F264 CarbonylContact O-C 3.46Å; F55-F264 WeakPolarHBondContact O-CA 3.41Å; F55-F264 VanDerWaalsContact O-CB 3.23Å; F55-F264 WeakPolarHBondContact O-CB 3.13Å; I142-F264 HydrophobicContact CD1-CD2 4.13Å; I142-F264 HydrophobicContact CD1-CE2 3.23Å; I142-F264 HydrophobicContact CD1-CZ 3.56Å; I142-F264 HydrophobicContact CG2-CZ 4.39Å; F229-F264 HydrophobicContact CE2-CZ 4.4Å; F229-F264 HydrophobicContact CZ-CZ 4.08Å; I240-F264 HydrophobicContact CB-CD1 4.48Å; I240-F264 HydrophobicContact CB-CD2 4.45Å; I240-F264 HydrophobicContact CB-CE1 4.02Å; I240-F264 HydrophobicContact CB-CE2 3.97Å; I240-F264 HydrophobicContact CB-CZ 3.74Å; I240-F264 HydrophobicContact CD1-CD2 4.46Å; I240-F264 HydrophobicContact CD1-CE2 3.6Å; I240-F264 HydrophobicContact CD1-CZ 3.89Å; I240-F264 HydrophobicContact CG1-CE2 4.38Å; I240-F264 HydrophobicContact CG1-CZ 4.44Å; I240-F264 HydrophobicContact CG2-CE1 3.74Å; I240-F264 HydrophobicContact CG2-CE2 4.32Å; I240-F264 HydrophobicContact CG2-CZ 3.59Å; I240-F264 PolarHBondContact N-O 3.41Å; I240-F264 PolarHBondContact O-N 3.01Å; F264-L266 HydrophobicContact CE2-CB 4.29Å
265K92.5Very high84.3Confident44 Ų4468.3 Ų68.319%0.19132%0.317CS..EExtended strand (participates in β ladder)trans-102.8131.4177.5-172-175.3-178.7-176.50109.3F55 E56 I57 D237 V238F55-K265 PolarHBondContact O-N 3.29Å; E56-K265 CarbonylContact C-O 3.56Å; E56-K265 WeakPolarHBondContact CA-O 3.33Å; E56-K265 HydrophobicContact CB-CB 4.29Å; E56-K265 HydrophobicContact CG-CB 3.94Å; E56-K265 HydrophobicContact CG-CD 4.26Å; I57-K265 PolarHBondContact N-O 2.95Å; D237-K265 VanDerWaalsContact CG-NZ 3.25Å; D237-K265 WeakPolarHBondContact OD1-CE 3.38Å; D237-K265 IonicContact OD1-NZ 3.09Å; D237-K265 WeakPolarHBondContact OD2-CE 3.46Å; D237-K265 IonicContact OD2-NZ 3.7Å; D237-K265 PolarHBondContact OD2-NZ 3.26Å; V238-K265 WeakPolarHBondContact O-CA 3.43Å
266L93.4Very high85.3Confident0 Ų057.7 Ų57.70%028%0.28CS..EExtended strand (participates in β ladder)trans-119.7127174.7-17957.2000109.1I57 Y59 P140 I142 F229 I232 V238 I240 F264 I268I57-L266 HydrophobicContact CB-CD1 3.88Å; I57-L266 HydrophobicContact CG2-CD1 3.72Å; I57-L266 WeakPolarHBondContact O-CA 3.23Å; Y59-L266 HydrophobicContact CE1-CD1 4.45Å; P140-L266 HydrophobicContact CG-CD1 4.38Å; P140-L266 HydrophobicContact CG-CD2 4.14Å; I142-L266 HydrophobicContact CD1-CD2 4.35Å; F229-L266 HydrophobicContact CD2-CD2 4.1Å; F229-L266 HydrophobicContact CE2-CD2 4.36Å; F229-L266 HydrophobicContact CG-CD2 4.28Å; I232-L266 HydrophobicContact CD1-CB 4.35Å; I232-L266 HydrophobicContact CD1-CD2 3.42Å; I232-L266 VanDerWaalsContact CD1-CD2 3.42Å; I232-L266 HydrophobicContact CD1-CG 3.89Å; V238-L266 PolarHBondContact N-O 3.07Å; V238-L266 PolarHBondContact O-N 2.91Å; I240-L266 HydrophobicContact CD1-CB 3.76Å; I240-L266 HydrophobicContact CD1-CD2 3.93Å; F264-L266 HydrophobicContact CE2-CB 4.29Å; L266-I268 HydrophobicContact CD1-CG1 4.23Å; L266-I268 HydrophobicContact CG-CG1 4.32Å
267R93.8Very high86.4Confident83 Ų8356.1 Ų56.131%0.31327%0.27SS..EExtended strand (participates in β ladder)trans-132119.7172.6178.1-176.5-169.8128-6109.6I57 V58 Y59 D237 N269I57-R267 PolarHBondContact O-N 3.42Å; V58-R267 WeakPolarHBondContact CA-O 3.47Å; V58-R267 HydrophobicContact CB-CB 4.47Å; V58-R267 HydrophobicContact CG1-CB 4.1Å; V58-R267 HydrophobicContact CG1-CG 4.21Å; V58-R267 HydrophobicContact CG2-CB 4.09Å; Y59-R267 PolarHBondContact N-O 2.9Å; Y59-R267 VanDerWaalsContact N-O 3.17Å; D237-R267 VanDerWaalsContact OD1-CD 3.23Å; D237-R267 WeakPolarHBondContact OD1-CD 3.4Å; D237-R267 IonicContact OD1-CZ 2.98Å; D237-R267 IonicContact OD1-NE 2.72Å; D237-R267 IonicContact OD1-NH1 2.8Å; D237-R267 PolarHBondContact OD1-NH1 3.33Å; D237-R267 IonicContact OD2-NH1 3.88Å; R267-N269 PolarHBondContact NE-OD1 3.41Å
268I94.8Very high87.4Confident1 Ų149.8 Ų49.81%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-110.3110.7175.4-52.9-176.6000107.4Y59 I61 G138 P140 I232 V234 N235 L266Y59-I268 HydrophobicContact CE1-CB 4.49Å; Y59-I268 HydrophobicContact CE1-CD1 4.17Å; Y59-I268 HydrophobicContact CE1-CG1 3.72Å; Y59-I268 HydrophobicContact CE1-CG2 4.44Å; Y59-I268 HydrophobicContact CE2-CG2 4Å; Y59-I268 WeakPolarHBondContact OH-CD1 3.19Å; I61-I268 HydrophobicContact CD1-CG2 3.7Å; I61-I268 HydrophobicContact CG1-CG2 3.62Å; G138-I268 WeakPolarHBondContact O-CD1 3.33Å; P140-I268 HydrophobicContact CG-CD1 3.86Å; I232-I268 HydrophobicContact CG2-CD1 3.39Å; I232-I268 HydrophobicContact CG2-CG1 4.37Å; V234-I268 CarbonylContact C-O 3.38Å; V234-I268 WeakPolarHBondContact CA-O 3.44Å; V234-I268 HydrophobicContact CG1-CB 4.44Å; V234-I268 HydrophobicContact CG1-CG2 4.27Å; N235-I268 PolarHBondContact N-O 2.93Å; L266-I268 HydrophobicContact CD1-CG1 4.23Å; L266-I268 HydrophobicContact CG-CG1 4.32Å
269N95Very high88.2Confident34 Ų3446.6 Ų46.618%0.18223%0.232CC..EExtended strand (participates in β ladder)trans-87.1137175.4-59.3-50000110Y59 T60 I61 N235 R267Y59-N269 PolarHBondContact O-N 3.38Å; T60-N269 CarbonylContact C-O 3.58Å; T60-N269 WeakPolarHBondContact CA-O 3.48Å; T60-N269 HydrophobicContact CG2-CB 4.04Å; I61-N269 PolarHBondContact N-O 3.24Å; N235-N269 VanDerWaalsContact OD1-CA 3.28Å; N235-N269 WeakPolarHBondContact OD1-CA 3.44Å; R267-N269 PolarHBondContact NE-OD1 3.41Å
270S92Very high88.6Confident19 Ų1949.8 Ų49.813%0.13325%0.246CC..  trans-132.7127.6170.3-1700000109.4Q62 N235 N272Q62-S270 PolarHBondContact NE2-OG 3.35Å; N235-S270 PolarHBondContact ND2-O 3.48Å; N235-S270 PolarHBondContact OD1-N 3.1Å; N235-S270 PolarHBondContact OD1-O 3.49Å; S270-N272 VanDerWaalsContact C-N 3.3Å; S270-N272 PolarHBondContact O-N 3.17Å; S270-N272 VanDerWaalsContact O-N 3.12Å
271Q81.3Confident88.8Confident162 Ų16253.3 Ų53.376%0.75726%0.261SS*.  trans-80.385.3165.2-59.2-156.65.500108.3Q62Q62-Q271 VanDerWaalsContact OE1-N 3.13Å
272N60.3Low88.8Confident221 Ų22153.9 Ų53.9100%1.18227%0.268SS*.  trans-83.20157.7-108.315.1000108.8S270S270-N272 VanDerWaalsContact C-N 3.3Å; S270-N272 PolarHBondContact O-N 3.17Å; S270-N272 VanDerWaalsContact O-N 3.12Å

Retrieved 272 of 272 residues in 421.7 ms (Link to these results)

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