A0A3Q0KEI7_SCHMA Loading...

ADP-ribosylation factor-like protein 6

Trans-Golgi-associated GTPase that regulates protein sorting. Controls the targeting of ARL1 and its effector to the trans-Golgi. Required for the lipidation of chylomicrons in the intestine and required for VLDL lipidation in the liver.

AlphaFold DB , UniProt , Accession A0A3Q0KEI7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 202 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
1M61.3Low64.4Low182 Ų182133.8 Ų133.890%0.89763%0.627SS**  0-45.90-150.3141.771.300112.2T3 L4 L5M1-T3 VanDerWaalsContact C-N 3.35Å; M1-T3 PolarHBondContact O-N 3.48Å; M1-L4 PolarHBondContact O-N 3.35Å; M1-L5 PolarHBondContact O-N 3.48Å
2Y64.1Low64.2Low208 Ų208132.9 Ų132.982%0.81663%0.627SS**Hα-helixtrans-57.2-37.1175.1-67.6-76.6000115.3R6Y2-R6 WeakPolarHBondContact O-CB 3.31Å; Y2-R6 PolarHBondContact O-N 2.93Å
3T68.1Low64Low117 Ų117124.6 Ų124.672%0.71859%0.593SS**Hα-helixtrans-67.8-38.5178.842.70000113.4M1 R6 G7M1-T3 VanDerWaalsContact C-N 3.35Å; M1-T3 PolarHBondContact O-N 3.48Å; T3-R6 PolarHBondContact O-N 3.4Å; T3-G7 PolarHBondContact O-N 2.87Å
4L73.2Confident64.1Low138 Ų138118.6 Ų118.672%0.72356%0.564SS**Hα-helixtrans-70.4-40.6176.1-67.7173.1000111.6M1 R6 G7 L8M1-L4 PolarHBondContact O-N 3.35Å; L4-R6 VanDerWaalsContact C-N 3.33Å; L4-G7 PolarHBondContact O-N 2.84Å; L4-L8 VanDerWaalsContact O-CB 3.31Å; L4-L8 WeakPolarHBondContact O-CB 3.37Å; L4-L8 PolarHBondContact O-N 3.17Å
5L72.3Confident65.1Low105 Ų105117.9 Ų117.955%0.5555%0.553SS.*Hα-helixtrans-63.6-40.2174.4-72.6167.9000111.5M1 L8 W9M1-L5 PolarHBondContact O-N 3.48Å; L5-L8 PolarHBondContact O-N 3.33Å; L5-W9 VanDerWaalsContact O-CB 3.26Å; L5-W9 WeakPolarHBondContact O-CB 3.19Å; L5-W9 PolarHBondContact O-N 2.92Å
6R63.7Low66.7Low186 Ų186114.2 Ų114.270%0.70254%0.538SS*.Hα-helixtrans-66.9-43.3175.6-169.6178.7179.9-174.6-0.3112Y2 T3 L4 W9 Q10Y2-R6 WeakPolarHBondContact O-CB 3.31Å; Y2-R6 PolarHBondContact O-N 2.93Å; T3-R6 PolarHBondContact O-N 3.4Å; L4-R6 VanDerWaalsContact C-N 3.33Å; R6-W9 PolarHBondContact O-N 3.35Å; R6-Q10 VanDerWaalsContact O-CB 3.25Å; R6-Q10 WeakPolarHBondContact O-CB 3.26Å; R6-Q10 PolarHBondContact O-N 3.03Å
7G63.4Low68.4Low37 Ų37108.2 Ų108.238%0.38151%0.51SS..Hα-helixtrans-63.8-39.4175.300000112.7T3 L4 Y11T3-G7 PolarHBondContact O-N 2.87Å; L4-G7 PolarHBondContact O-N 2.84Å; G7-Y11 VanDerWaalsContact O-CB 3.32Å; G7-Y11 WeakPolarHBondContact O-CB 3.23Å; G7-Y11 PolarHBondContact O-N 2.96Å
8L66.4Low70.1Confident98 Ų98102.2 Ų102.251%0.51348%0.482SS..Hα-helixtrans-68-42.3174.3-173.772.6000111.5L4 L5 Y11 I12L4-L8 VanDerWaalsContact O-CB 3.31Å; L4-L8 WeakPolarHBondContact O-CB 3.37Å; L4-L8 PolarHBondContact O-N 3.17Å; L5-L8 PolarHBondContact O-N 3.33Å; L8-Y11 PolarHBondContact O-N 3.38Å; L8-I12 HydrophobicContact CD1-CD1 4.21Å; L8-I12 HydrophobicContact CD2-CD1 4.32Å; L8-I12 HydrophobicContact CG-CD1 3.78Å; L8-I12 HydrophobicContact CG-CG1 4.48Å; L8-I12 WeakPolarHBondContact O-CB 3.32Å; L8-I12 WeakPolarHBondContact O-CG1 3.22Å; L8-I12 PolarHBondContact O-N 2.86Å
9W61.8Low71.5Confident173 Ų17396.8 Ų96.866%0.65546%0.456SS*.Hα-helixtrans-64.5-40.8176.7-171.581.1000111.8L5 R6 I12 S13L5-W9 VanDerWaalsContact O-CB 3.26Å; L5-W9 WeakPolarHBondContact O-CB 3.19Å; L5-W9 PolarHBondContact O-N 2.92Å; R6-W9 PolarHBondContact O-N 3.35Å; W9-I12 PolarHBondContact O-N 3.35Å; W9-S13 VanDerWaalsContact O-CB 3.28Å; W9-S13 WeakPolarHBondContact O-CB 3.41Å; W9-S13 PolarHBondContact O-N 2.9Å; W9-S13 PolarHBondContact O-OG 3.12Å
10Q56.6Low72.9Confident65 Ų6592 Ų9230%0.30443%0.433SS..Hα-helixtrans-66-41.1175-168.4175.12.600111.4R6 S13 Q14 E200R6-Q10 VanDerWaalsContact O-CB 3.25Å; R6-Q10 WeakPolarHBondContact O-CB 3.26Å; R6-Q10 PolarHBondContact O-N 3.03Å; Q10-S13 WeakPolarHBondContact CA-OG 3.28Å; Q10-S13 PolarHBondContact O-N 3.31Å; Q10-S13 PolarHBondContact O-OG 2.88Å; Q10-S13 VanDerWaalsContact O-OG 3.12Å; Q10-Q14 WeakPolarHBondContact O-CG 3.34Å; Q10-Q14 PolarHBondContact O-N 3.33Å; Q10-E200 PolarHBondContact NE2-OE1 3.24Å; Q10-E200 VanDerWaalsContact NE2-OE1 3.07Å
11Y58.1Low74.1Confident163 Ų16387.6 Ų87.664%0.63941%0.413SS*.Hα-helixtrans-64.5-40.8174.1-179.8-104.3000112.3G7 L8 S13G7-Y11 VanDerWaalsContact O-CB 3.32Å; G7-Y11 WeakPolarHBondContact O-CB 3.23Å; G7-Y11 PolarHBondContact O-N 2.96Å; L8-Y11 PolarHBondContact O-N 3.38Å; Y11-S13 VanDerWaalsContact C-N 3.32Å
12I61.3Low75.9Confident123 Ų12378.9 Ų78.963%0.63137%0.37SS*.Hα-helixtrans-71.2-29.3177.2-68.4168.2000111.4L8 W9L8-I12 HydrophobicContact CD1-CD1 4.21Å; L8-I12 HydrophobicContact CD2-CD1 4.32Å; L8-I12 HydrophobicContact CG-CD1 3.78Å; L8-I12 HydrophobicContact CG-CG1 4.48Å; L8-I12 WeakPolarHBondContact O-CB 3.32Å; L8-I12 WeakPolarHBondContact O-CG1 3.22Å; L8-I12 PolarHBondContact O-N 2.86Å; W9-I12 PolarHBondContact O-N 3.35Å
13S61.7Low77.5Confident25 Ų2569 Ų6918%0.17533%0.331CS..Hα-helixtrans-84.4-19.217870.80000113.4W9 Q10 Y11 R15 I201W9-S13 VanDerWaalsContact O-CB 3.28Å; W9-S13 WeakPolarHBondContact O-CB 3.41Å; W9-S13 PolarHBondContact O-N 2.9Å; W9-S13 PolarHBondContact O-OG 3.12Å; Q10-S13 WeakPolarHBondContact CA-OG 3.28Å; Q10-S13 PolarHBondContact O-N 3.31Å; Q10-S13 PolarHBondContact O-OG 2.88Å; Q10-S13 VanDerWaalsContact O-OG 3.12Å; Y11-S13 VanDerWaalsContact C-N 3.32Å; S13-R15 PolarHBondContact O-N 3.14Å; S13-I201 WeakPolarHBondContact O-CD1 3.48Å; S13-I201 WeakPolarHBondContact O-CG1 3.39Å
14Q65Low78.9Confident40 Ų4063.4 Ų63.419%0.18730%0.297CS..PPolyproline II helixtrans-62.6129.3178.7-83.5170.55.800111.9Q10 Q198 L199Q10-Q14 WeakPolarHBondContact O-CG 3.34Å; Q10-Q14 PolarHBondContact O-N 3.33Å; Q14-Q198 VanDerWaalsContact OE1-CD 3.28Å; Q14-L199 WeakPolarHBondContact CG-O 3.39Å
15R79.3Confident80.1Confident108 Ų10857.1 Ų57.141%0.40826%0.264SS..EExtended strand (participates in β ladder)trans-97.9133.4165.3-71.5-171.6-172.9-1753.6109.1S13 E17 E65 L199 I201S13-R15 PolarHBondContact O-N 3.14Å; R15-E17 PolarHBondContact O-N 3.27Å; R15-E65 IonicContact CZ-OE2 3.81Å; R15-E65 VanDerWaalsContact NH1-CD 3.29Å; R15-E65 IonicContact NH1-OE1 3.79Å; R15-E65 IonicContact NH1-OE2 2.75Å; R15-E65 PolarHBondContact NH1-OE2 2.83Å; R15-L199 PolarHBondContact O-N 2.83Å; R15-I201 HydrophobicContact CG-CD1 4.35Å
16D91.5Very high81.3Confident59 Ų5954.2 Ų54.232%0.31625%0.249SC..EExtended strand (participates in β ladder)trans-69.3123.4171.4-70.2-30.4000109.7F18 I69 R70 P196D16-F18 HydrophobicContact CB-CD2 4.19Å; D16-F18 HydrophobicContact CB-CE2 3.49Å; D16-F18 VanDerWaalsContact CB-CE2 3.49Å; D16-F18 HydrophobicContact CB-CZ 4.08Å; D16-I69 HydrophobicContact CB-CG2 4.38Å; D16-R70 PolarHBondContact O-N 3.22Å; D16-P196 HydrophobicContact CB-CB 3.85Å; D16-P196 HydrophobicContact CB-CG 3.67Å; D16-P196 WeakPolarHBondContact OD1-CG 3.33Å
17E95.5Very high82.8Confident12 Ų1247.5 Ų47.56%0.05624%0.238CC..EExtended strand (participates in β ladder)trans-100.5115.5170.6-175.4176.895.200109.8R15 R70 K72 P196 K197 L199R15-E17 PolarHBondContact O-N 3.27Å; E17-R70 WeakPolarHBondContact CA-O 2.89Å; E17-R70 HydrophobicContact CB-CB 4.44Å; E17-R70 HydrophobicContact CG-CB 4.4Å; E17-R70 HydrophobicContact CG-CG 4.31Å; E17-R70 VanDerWaalsContact OE2-CD 3.22Å; E17-R70 WeakPolarHBondContact OE2-CD 3.16Å; E17-K72 HydrophobicContact CG-CB 3.96Å; E17-K72 WeakPolarHBondContact OE1-CD 3.43Å; E17-P196 WeakPolarHBondContact O-CA 3.42Å; E17-P196 VanDerWaalsContact O-CB 3.26Å; E17-P196 WeakPolarHBondContact O-CB 3.34Å; E17-K197 PolarHBondContact N-O 3.16Å; E17-K197 PolarHBondContact O-N 2.89Å; E17-L199 HydrophobicContact CB-CD1 3.78Å; E17-L199 HydrophobicContact CB-CD2 4.39Å; E17-L199 HydrophobicContact CB-CG 3.8Å; E17-L199 HydrophobicContact CG-CD1 4.38Å
18F97.6Very high84.5Confident0 Ų045.9 Ų45.90%022%0.22CC..EExtended strand (participates in β ladder)trans-101.8130.4174.5-64.5-91.6000109.7D16 I69 R70 L71 K72 N94 V187 A191 P196D16-F18 HydrophobicContact CB-CD2 4.19Å; D16-F18 HydrophobicContact CB-CE2 3.49Å; D16-F18 VanDerWaalsContact CB-CE2 3.49Å; D16-F18 HydrophobicContact CB-CZ 4.08Å; F18-I69 HydrophobicContact CD2-CB 4.17Å; F18-I69 HydrophobicContact CD2-CD1 3.71Å; F18-I69 HydrophobicContact CD2-CG2 4.41Å; F18-I69 HydrophobicContact CE2-CB 4.21Å; F18-I69 HydrophobicContact CE2-CD1 4.04Å; F18-I69 HydrophobicContact CE2-CG2 3.94Å; F18-R70 PolarHBondContact N-O 3.47Å; F18-L71 HydrophobicContact CB-CD2 3.86Å; F18-L71 WeakPolarHBondContact O-CA 3.21Å; F18-K72 PolarHBondContact O-N 3.25Å; F18-N94 WeakPolarHBondContact CA-OD1 3.24Å; F18-N94 HydrophobicContact CB-CB 4.1Å; F18-N94 HydrophobicContact CD1-CB 3.84Å; F18-N94 HydrophobicContact CG-CB 4.48Å; F18-V187 HydrophobicContact CB-CB 4.17Å; F18-V187 HydrophobicContact CB-CG2 3.69Å; F18-V187 HydrophobicContact CD1-CB 3.83Å; F18-V187 HydrophobicContact CD1-CG2 3.86Å; F18-V187 HydrophobicContact CD2-CG2 4.13Å; F18-V187 HydrophobicContact CE1-CB 4.48Å; F18-V187 VanDerWaalsContact CE1-O 3.28Å; F18-V187 WeakPolarHBondContact CE1-O 2.93Å; F18-V187 HydrophobicContact CG-CB 4.09Å; F18-V187 HydrophobicContact CG-CG2 3.62Å; F18-A191 HydrophobicContact CE1-CB 3.91Å; F18-A191 HydrophobicContact CZ-CB 4.01Å; F18-P196 HydrophobicContact CD1-CB 3.84Å; F18-P196 HydrophobicContact CD2-CB 4.14Å; F18-P196 HydrophobicContact CE1-CB 3.65Å; F18-P196 HydrophobicContact CE1-CG 3.87Å; F18-P196 HydrophobicContact CE2-CB 3.97Å; F18-P196 HydrophobicContact CE2-CG 4.23Å; F18-P196 HydrophobicContact CG-CB 4.09Å; F18-P196 HydrophobicContact CZ-CB 3.72Å; F18-P196 HydrophobicContact CZ-CG 3.68Å
19S97.9Very high85.9Confident0 Ų041.9 Ų41.90%020%0.203CC..EExtended strand (participates in β ladder)trans-93.8126.9178.8-50.80000111K72 W74 N94 G95S19-K72 CarbonylContact C-O 3.58Å; S19-K72 VanDerWaalsContact CA-O 3.29Å; S19-K72 WeakPolarHBondContact CA-O 3.25Å; S19-W74 VanDerWaalsContact OG-CH2 3.26Å; S19-W74 WeakPolarHBondContact OG-CH2 3.23Å; S19-N94 PolarHBondContact N-OD1 2.97Å; S19-N94 PolarHBondContact O-N 3.39Å; S19-G95 PolarHBondContact O-N 3.17Å
20V98.6Very high87.7Confident0 Ų034.2 Ų34.20%018%0.175CC..EExtended strand (participates in β ladder)trans-122.1123.9-175.2-179.60000109.7L71 K72 F73 W74 G95 I97 I183 V187V20-L71 HydrophobicContact CG2-CD2 4.22Å; V20-K72 PolarHBondContact N-O 3.36Å; V20-F73 HydrophobicContact CB-CD1 3.73Å; V20-F73 HydrophobicContact CB-CE1 3.74Å; V20-F73 HydrophobicContact CG1-CD1 3.88Å; V20-F73 HydrophobicContact CG1-CE1 3.69Å; V20-F73 HydrophobicContact CG2-CE1 4.36Å; V20-F73 CarbonylContact O-C 3.33Å; V20-F73 VanDerWaalsContact O-CA 3.28Å; V20-F73 WeakPolarHBondContact O-CA 3.3Å; V20-W74 PolarHBondContact O-N 2.91Å; V20-G95 WeakPolarHBondContact CA-O 3.42Å; V20-I97 HydrophobicContact CG1-CD1 3.98Å; V20-I97 HydrophobicContact CG1-CG1 3.81Å; V20-I183 HydrophobicContact CG1-CG1 4.1Å; V20-I183 HydrophobicContact CG2-CG1 4.34Å; V20-V187 HydrophobicContact CG2-CG1 4.32Å
21L98.5Very high89.6Confident0 Ų032.3 Ų32.30%017%0.168CC..EExtended strand (participates in β ladder)trans-79.7138.9175-69.3167.8000110.5L23 W74 L76 Y89 Y90 S93 G95 V96 I97L21-L23 HydrophobicContact CB-CD1 4.25Å; L21-L23 HydrophobicContact CB-CD2 4.26Å; L21-L23 HydrophobicContact CB-CG 4.04Å; L21-L23 HydrophobicContact CD1-CD1 4.47Å; L21-W74 HydrophobicContact CD2-CB 3.79Å; L21-W74 HydrophobicContact CD2-CD2 4.36Å; L21-W74 HydrophobicContact CD2-CE3 3.68Å; L21-W74 HydrophobicContact CD2-CG 4.47Å; L21-W74 HydrophobicContact CG-CE3 4.1Å; L21-L76 HydrophobicContact CD2-CD1 4.11Å; L21-Y89 HydrophobicContact CD2-CG 4.37Å; L21-Y90 HydrophobicContact CD1-CD1 3.65Å; L21-Y90 HydrophobicContact CD1-CE1 4.2Å; L21-S93 VanDerWaalsContact CD1-CB 3.47Å; L21-G95 PolarHBondContact N-O 2.95Å; L21-V96 HydrophobicContact CB-CG2 4.37Å; L21-V96 HydrophobicContact CD1-CG2 4.33Å; L21-I97 PolarHBondContact O-N 3.18Å
22I98.6Very high91.5Very high0 Ų025.9 Ų25.90%015%0.145CC..EExtended strand (participates in β ladder)trans-113.6110.8167.5-50.3177.7000107.6K30 Y33 L34 F73 W74 D75 L76 I97 V99I22-K30 HydrophobicContact CG2-CB 3.75Å; I22-K30 HydrophobicContact CG2-CD 4.24Å; I22-K30 HydrophobicContact CG2-CG 3.98Å; I22-Y33 HydrophobicContact CD1-CD1 4.31Å; I22-L34 HydrophobicContact CD1-CB 3.89Å; I22-L34 HydrophobicContact CD1-CD1 4.16Å; I22-L34 HydrophobicContact CD1-CD2 4.29Å; I22-L34 HydrophobicContact CD1-CG 4.33Å; I22-F73 HydrophobicContact CD1-CB 3.94Å; I22-F73 HydrophobicContact CD1-CD1 3.66Å; I22-F73 HydrophobicContact CD1-CE1 4.47Å; I22-F73 HydrophobicContact CD1-CG 3.97Å; I22-F73 HydrophobicContact CG1-CB 4.39Å; I22-F73 HydrophobicContact CG1-CD1 3.79Å; I22-F73 HydrophobicContact CG1-CG 4.45Å; I22-W74 PolarHBondContact N-O 2.96Å; I22-D75 HydrophobicContact CB-CB 4.5Å; I22-L76 PolarHBondContact O-N 2.94Å; I22-I97 CarbonylContact C-O 3.57Å; I22-I97 WeakPolarHBondContact CA-O 3.36Å; I22-I97 HydrophobicContact CG1-CB 4.49Å; I22-V99 HydrophobicContact CG2-CG2 3.86Å
23L98.4Very high93.2Very high0 Ų020 Ų200%012%0.115CC..EExtended strand (participates in β ladder)trans-122.9169.1-173.2-53.1179.8000110.3L21 K30 L76 W86 Y90 V96 I97 Y98 V99 M118L21-L23 HydrophobicContact CB-CD1 4.25Å; L21-L23 HydrophobicContact CB-CD2 4.26Å; L21-L23 HydrophobicContact CB-CG 4.04Å; L21-L23 HydrophobicContact CD1-CD1 4.47Å; L23-K30 VanDerWaalsContact C-CD 3.4Å; L23-K30 WeakPolarHBondContact O-CD 3.42Å; L23-L76 HydrophobicContact CD2-CB 4.09Å; L23-L76 HydrophobicContact CD2-CD1 3.72Å; L23-L76 HydrophobicContact CD2-CG 4.28Å; L23-W86 HydrophobicContact CB-CH2 4.42Å; L23-W86 HydrophobicContact CB-CZ2 4.43Å; L23-W86 HydrophobicContact CB-CZ3 4.46Å; L23-W86 HydrophobicContact CD1-CD2 4.43Å; L23-W86 HydrophobicContact CD1-CE3 4.29Å; L23-W86 HydrophobicContact CD2-CB 4.42Å; L23-W86 HydrophobicContact CD2-CD2 3.95Å; L23-W86 HydrophobicContact CD2-CG 3.89Å; L23-Y90 HydrophobicContact CD1-CE1 3.99Å; L23-V96 HydrophobicContact CD1-CG1 3.92Å; L23-V96 HydrophobicContact CG-CG1 4.38Å; L23-I97 PolarHBondContact N-O 3.37Å; L23-Y98 HydrophobicContact CB-CD2 4.03Å; L23-Y98 CarbonylContact O-C 3.6Å; L23-Y98 WeakPolarHBondContact O-CA 3.29Å; L23-V99 PolarHBondContact O-N 3.49Å; L23-M118 HydrophobicContact CB-SD 4.37Å; L23-M118 HydrophobicContact CD1-CG 3.97Å; L23-M118 HydrophobicContact CD1-SD 3.44Å; L23-M118 WeakPolarHBondContact CD1-SD 3.34Å; L23-M118 HydrophobicContact CG-SD 4.5Å
24G98.1Very high94.9Very high0 Ų018.9 Ų18.90%011%0.107CC..  trans130.8166.2-174.400000111.8K30 G78G24-K30 WeakPolarHBondContact O-CE 3.28Å; G24-K30 PolarHBondContact O-NZ 3.25Å; G24-G78 VanDerWaalsContact O-CA 3.23Å; G24-G78 WeakPolarHBondContact O-CA 3.41Å
25L97.9Very high96.4Very high6 Ų617.5 Ų17.53%0.03110%0.1CC..  trans-60.9161-178-59.3-171.3000112.5A28 K30 R107 E110 A114L25-A28 VanDerWaalsContact O-CB 3.26Å; L25-A28 WeakPolarHBondContact O-CB 3.45Å; L25-A28 PolarHBondContact O-N 2.92Å; L25-K30 PolarHBondContact O-NZ 3.02Å; L25-R107 HydrophobicContact CD1-CB 4.03Å; L25-E110 HydrophobicContact CD1-CB 4.05Å; L25-E110 HydrophobicContact CD1-CG 3.95Å; L25-E110 HydrophobicContact CD2-CG 4.15Å; L25-A114 HydrophobicContact CD2-CB 4Å
26D96.6Very high97.2Very high44 Ų4413.6 Ų13.624%0.2359%0.087CC..THydrogen-bonded Turntrans-62.9148.8168.367.4-66.2000110.8A28 G78 Q79 R107D26-A28 PolarHBondContact O-N 3.31Å; D26-A28 VanDerWaalsContact O-N 3.13Å; D26-G78 PolarHBondContact N-O 2.95Å; D26-Q79 HydrophobicContact CB-CG 3.95Å; D26-R107 PolarHBondContact O-NH1 3.19Å; D26-R107 PolarHBondContact O-NH2 3.36Å; D26-R107 IonicContact OD1-NH1 3.9Å; D26-R107 PolarHBondContact OD1-NH1 3.37Å; D26-R107 IonicContact OD2-NH1 3.15Å
27G96.4Very high97.5Very high45 Ų4510.8 Ų10.846%0.4647%0.072SC..THydrogen-bonded Turntrans74.9-10.9-173.700000115.6G29 K135G27-G29 PolarHBondContact O-N 3.48Å; G27-G29 VanDerWaalsContact O-N 3.11Å; G27-K135 VanDerWaalsContact O-CE 3.28Å; G27-K135 WeakPolarHBondContact O-CE 3.37Å; G27-K135 PolarHBondContact O-NZ 2.8Å
28A97.9Very high97.6Very high2 Ų211.1 Ų11.12%0.0177%0.073CC..SBendtrans-65.1-15.1179.600000114.9L25 D26 V99 D101 N134L25-A28 VanDerWaalsContact O-CB 3.26Å; L25-A28 WeakPolarHBondContact O-CB 3.45Å; L25-A28 PolarHBondContact O-N 2.92Å; D26-A28 PolarHBondContact O-N 3.31Å; D26-A28 VanDerWaalsContact O-N 3.13Å; A28-V99 HydrophobicContact CB-CB 4.39Å; A28-V99 HydrophobicContact CB-CG1 4.19Å; A28-V99 WeakPolarHBondContact CB-O 3.34Å; A28-V99 WeakPolarHBondContact O-CG1 3.49Å; A28-D101 HydrophobicContact CB-CB 4.42Å; A28-N134 PolarHBondContact O-ND2 3.43Å
29G97.6Very high97.4Very high15 Ų1514.4 Ų14.416%0.1559%0.09CC..  trans94.124.917600000115.3G27 T32 Y33G27-G29 PolarHBondContact O-N 3.48Å; G27-G29 VanDerWaalsContact O-N 3.11Å; G29-T32 PolarHBondContact O-N 3.46Å; G29-Y33 WeakPolarHBondContact O-CB 3.37Å; G29-Y33 PolarHBondContact O-N 3.36Å
30K98.2Very high97.2Very high12 Ų1217.5 Ų17.55%0.05211%0.106CC..Hα-helixtrans-56.1-52.9178.3-59.9-172.9-61.6-750113.5I22 L23 G24 L25 T32 Y33 L34 D75 L76 V99I22-K30 HydrophobicContact CG2-CB 3.75Å; I22-K30 HydrophobicContact CG2-CD 4.24Å; I22-K30 HydrophobicContact CG2-CG 3.98Å; L23-K30 VanDerWaalsContact C-CD 3.4Å; L23-K30 WeakPolarHBondContact O-CD 3.42Å; G24-K30 WeakPolarHBondContact O-CE 3.28Å; G24-K30 PolarHBondContact O-NZ 3.25Å; L25-K30 PolarHBondContact O-NZ 3.02Å; K30-T32 PolarHBondContact O-N 3.48Å; K30-Y33 WeakPolarHBondContact O-CB 3.26Å; K30-Y33 PolarHBondContact O-N 3.46Å; K30-L34 PolarHBondContact O-N 3.14Å; K30-D75 VanDerWaalsContact CB-OD1 3.28Å; K30-D75 WeakPolarHBondContact CB-OD1 3.38Å; K30-L76 WeakPolarHBondContact CE-O 3.37Å; K30-V99 HydrophobicContact CG-CB 3.95Å; K30-V99 HydrophobicContact CG-CG2 3.91Å
31T97.2Very high97Very high25 Ų2519 Ų1915%0.15311%0.113CC..Hα-helixtrans-65.6-40.4179.8-48.50000111.4Y33 L34 E35 I53 T56 D75T31-Y33 PolarHBondContact O-N 2.98Å; T31-L34 PolarHBondContact O-N 3.45Å; T31-E35 WeakPolarHBondContact O-CG 3.36Å; T31-E35 PolarHBondContact O-N 2.95Å; T31-I53 HydrophobicContact CG2-CG2 3.74Å; T31-T56 PolarHBondContact OG1-OG1 3.01Å; T31-D75 WeakPolarHBondContact CA-OD2 3.29Å; T31-D75 WeakPolarHBondContact CB-OD2 3.27Å; T31-D75 PolarHBondContact OG1-OD2 3.37Å
32T97.2Very high96.8Very high27 Ų2721 Ų2117%0.16613%0.125CC..Hα-helixtrans-61.1-43.9174-45.70000111.5G29 K30 L34 E35 Q36 I53 A170G29-T32 PolarHBondContact O-N 3.46Å; K30-T32 PolarHBondContact O-N 3.48Å; T32-L34 PolarHBondContact O-N 3.18Å; T32-E35 PolarHBondContact O-N 2.99Å; T32-Q36 WeakPolarHBondContact O-CB 3.29Å; T32-Q36 PolarHBondContact O-N 2.97Å; T32-I53 HydrophobicContact CG2-CD1 4.39Å; T32-A170 HydrophobicContact CG2-CB 3.92Å
33Y98.1Very high96.4Very high1 Ų126.5 Ų26.50%0.00416%0.161CC..Hα-helixtrans-59.4-45.5175.6172.8-91.9000111.5I22 G29 K30 T31 Q36 A37 I97 L132 I176 S179 I180I22-Y33 HydrophobicContact CD1-CD1 4.31Å; G29-Y33 WeakPolarHBondContact O-CB 3.37Å; G29-Y33 PolarHBondContact O-N 3.36Å; K30-Y33 WeakPolarHBondContact O-CB 3.26Å; K30-Y33 PolarHBondContact O-N 3.46Å; T31-Y33 PolarHBondContact O-N 2.98Å; Y33-Q36 PolarHBondContact O-N 3.01Å; Y33-A37 WeakPolarHBondContact O-CB 3.47Å; Y33-A37 PolarHBondContact O-N 3.24Å; Y33-I97 HydrophobicContact CE1-CD1 3.87Å; Y33-I97 HydrophobicContact CE1-CG2 4.5Å; Y33-L132 HydrophobicContact CD1-CD1 4.26Å; Y33-L132 HydrophobicContact CD2-CD1 3.58Å; Y33-L132 HydrophobicContact CE1-CD1 3.97Å; Y33-L132 HydrophobicContact CE2-CD1 3.24Å; Y33-L132 HydrophobicContact CG-CD1 4.09Å; Y33-L132 VanDerWaalsContact CZ-CD1 3.46Å; Y33-I176 HydrophobicContact CD2-CD1 3.18Å; Y33-I176 HydrophobicContact CE2-CD1 3.31Å; Y33-I176 HydrophobicContact CG-CD1 4.24Å; Y33-S179 PolarHBondContact OH-OG 2.86Å; Y33-I180 HydrophobicContact CE1-CD1 4.18Å; Y33-I180 WeakPolarHBondContact OH-CD1 3.4Å
34L97.6Very high96Very high1 Ų134.2 Ų34.21%0.00520%0.202CC..Hα-helixtrans-64-43.7177.6178.855.5000112.2I22 K30 T31 T32 Q36 A37 K38 F73 D75I22-L34 HydrophobicContact CD1-CB 3.89Å; I22-L34 HydrophobicContact CD1-CD1 4.16Å; I22-L34 HydrophobicContact CD1-CD2 4.29Å; I22-L34 HydrophobicContact CD1-CG 4.33Å; K30-L34 PolarHBondContact O-N 3.14Å; T31-L34 PolarHBondContact O-N 3.45Å; T32-L34 PolarHBondContact O-N 3.18Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-Q36 PolarHBondContact O-N 2.99Å; L34-A37 PolarHBondContact O-N 3.07Å; L34-K38 WeakPolarHBondContact O-CG 3.47Å; L34-K38 PolarHBondContact O-N 3.42Å; L34-F73 HydrophobicContact CD1-CB 3.61Å; L34-F73 HydrophobicContact CD1-CD2 3.44Å; L34-F73 VanDerWaalsContact CD1-CD2 3.44Å; L34-F73 HydrophobicContact CD1-CE2 4.25Å; L34-F73 HydrophobicContact CD1-CG 3.63Å; L34-F73 HydrophobicContact CD2-CB 4.08Å; L34-D75 HydrophobicContact CD2-CB 3.83Å
35E96.5Very high95.7Very high10 Ų1037.6 Ų37.65%0.04722%0.216CC..Hα-helixtrans-62.8-40.9176.3-72.3-56.9117.900111.8T31 T32 A37 K38 I39 Y45 I53T31-E35 WeakPolarHBondContact O-CG 3.36Å; T31-E35 PolarHBondContact O-N 2.95Å; T32-E35 PolarHBondContact O-N 2.99Å; E35-A37 PolarHBondContact O-N 2.75Å; E35-K38 WeakPolarHBondContact O-CB 3.28Å; E35-K38 PolarHBondContact O-N 3.35Å; E35-K38 IonicContact OE1-NZ 2.92Å; E35-K38 PolarHBondContact OE1-NZ 3.47Å; E35-I39 WeakPolarHBondContact O-CG1 3.26Å; E35-I39 PolarHBondContact O-N 2.81Å; E35-Y45 VanDerWaalsContact CD-OH 3.29Å; E35-Y45 PolarHBondContact OE1-OH 2.99Å; E35-Y45 WeakPolarHBondContact OE2-CE1 3.46Å; E35-Y45 PolarHBondContact OE2-OH 2.6Å; E35-I53 HydrophobicContact CB-CD1 4.39Å; E35-I53 HydrophobicContact CG-CD1 4.18Å
36Q96.3Very high95.4Very high27 Ų2746.5 Ų46.513%0.12625%0.254CS..Hα-helixtrans-66.4-37176.3-162.563.217.600112.4T32 Y33 L34 I39 N40 A170 I176T32-Q36 WeakPolarHBondContact O-CB 3.29Å; T32-Q36 PolarHBondContact O-N 2.97Å; Y33-Q36 PolarHBondContact O-N 3.01Å; L34-Q36 VanDerWaalsContact C-N 3.33Å; L34-Q36 PolarHBondContact O-N 2.99Å; Q36-I39 PolarHBondContact O-N 3.25Å; Q36-N40 PolarHBondContact O-N 3.37Å; Q36-A170 WeakPolarHBondContact CG-O 3.13Å; Q36-I176 HydrophobicContact CB-CD1 4.47Å; Q36-I176 HydrophobicContact CB-CG1 4.39Å; Q36-I176 HydrophobicContact CG-CD1 4.44Å; Q36-I176 HydrophobicContact CG-CG1 3.91Å
37A97.2Very high94.9Very high0 Ų047.4 Ų47.40%026%0.264CS..Hα-helixtrans-63.1-41.3171.500000111.6Y33 L34 E35 I39 N40 F41 I176 I180Y33-A37 WeakPolarHBondContact O-CB 3.47Å; Y33-A37 PolarHBondContact O-N 3.24Å; L34-A37 PolarHBondContact O-N 3.07Å; E35-A37 PolarHBondContact O-N 2.75Å; A37-I39 PolarHBondContact O-N 3.17Å; A37-N40 PolarHBondContact O-N 3.13Å; A37-F41 WeakPolarHBondContact O-CD2 3.5Å; A37-F41 PolarHBondContact O-N 3.24Å; A37-I176 HydrophobicContact CB-CG2 4.03Å; A37-I180 HydrophobicContact CB-CD1 3.91Å; A37-I180 HydrophobicContact CB-CG1 4.09Å
38K96.5Very high94.5Very high18 Ų1849.2 Ų49.28%0.07826%0.262CS..Hα-helixtrans-63.2-40.2175.9-68.2172.9-172168.20112L34 E35 N40 F41 V42 Y45 G62 I64L34-K38 WeakPolarHBondContact O-CG 3.47Å; L34-K38 PolarHBondContact O-N 3.42Å; E35-K38 WeakPolarHBondContact O-CB 3.28Å; E35-K38 PolarHBondContact O-N 3.35Å; E35-K38 IonicContact OE1-NZ 2.92Å; E35-K38 PolarHBondContact OE1-NZ 3.47Å; K38-N40 VanDerWaalsContact C-N 3.25Å; K38-N40 PolarHBondContact O-N 3.11Å; K38-F41 PolarHBondContact O-N 2.71Å; K38-V42 HydrophobicContact CB-CG2 4.27Å; K38-V42 HydrophobicContact CG-CG2 4.47Å; K38-V42 WeakPolarHBondContact O-CA 3.4Å; K38-V42 VanDerWaalsContact O-CB 3.25Å; K38-V42 WeakPolarHBondContact O-CB 2.82Å; K38-V42 PolarHBondContact O-N 3.02Å; K38-Y45 HydrophobicContact CB-CD1 3.64Å; K38-Y45 HydrophobicContact CB-CD2 4.21Å; K38-Y45 HydrophobicContact CB-CE1 3.47Å; K38-Y45 VanDerWaalsContact CB-CE1 3.47Å; K38-Y45 HydrophobicContact CB-CE2 4.07Å; K38-Y45 HydrophobicContact CB-CG 4.01Å; K38-Y45 HydrophobicContact CD-CE1 3.98Å; K38-Y45 HydrophobicContact CD-CE2 3.8Å; K38-Y45 VanDerWaalsContact CD-CZ 3.41Å; K38-Y45 WeakPolarHBondContact CD-OH 3.28Å; K38-Y45 HydrophobicContact CG-CE1 4.41Å; K38-Y45 HydrophobicContact CG-CE2 4.48Å; K38-G62 VanDerWaalsContact CE-CA 3.47Å; K38-I64 HydrophobicContact CG-CG2 4.22Å
39I94.8Very high94Very high69 Ų6952 Ų5235%0.35428%0.28SS..Hα-helixtrans-55.3-43.1174.1-70160.5000111.2E35 Q36 A37 Y45E35-I39 WeakPolarHBondContact O-CG1 3.26Å; E35-I39 PolarHBondContact O-N 2.81Å; Q36-I39 PolarHBondContact O-N 3.25Å; A37-I39 PolarHBondContact O-N 3.17Å; I39-Y45 HydrophobicContact CG1-CD1 4.07Å
40N93.6Very high93.3Very high65 Ų6554.6 Ų54.635%0.34829%0.289SS..Hα-helixtrans-80.8-29.5-174.6-69.2-1.6000114.2Q36 A37 K38 N177Q36-N40 PolarHBondContact O-N 3.37Å; A37-N40 PolarHBondContact O-N 3.13Å; K38-N40 VanDerWaalsContact C-N 3.25Å; K38-N40 PolarHBondContact O-N 3.11Å; N40-N177 WeakPolarHBondContact CB-OD1 3.38Å; N40-N177 PolarHBondContact ND2-OD1 3.34Å
41F94.9Very high92.7Very high32 Ų3262 Ų6214%0.1432%0.324CS..Hα-helixtrans-116.8-10.2-169.7-70.2-89000114.8A37 K38 I64 V66 N177 I180A37-F41 WeakPolarHBondContact O-CD2 3.5Å; A37-F41 PolarHBondContact O-N 3.24Å; K38-F41 PolarHBondContact O-N 2.71Å; F41-I64 HydrophobicContact CB-CB 3.8Å; F41-I64 HydrophobicContact CB-CD1 4.27Å; F41-I64 HydrophobicContact CB-CG1 4.49Å; F41-I64 HydrophobicContact CB-CG2 4.12Å; F41-I64 HydrophobicContact CD2-CD1 4.25Å; F41-I64 HydrophobicContact CG-CD1 4.18Å; F41-V66 HydrophobicContact CD1-CB 4.03Å; F41-V66 HydrophobicContact CD1-CG2 4.17Å; F41-V66 HydrophobicContact CE1-CB 4.07Å; F41-V66 HydrophobicContact CE1-CG2 3.69Å; F41-N177 HydrophobicContact CE2-CB 4.49Å; F41-N177 VanDerWaalsContact CE2-OD1 3.29Å; F41-N177 WeakPolarHBondContact CE2-OD1 3.35Å; F41-N177 HydrophobicContact CZ-CB 4.26Å; F41-I180 HydrophobicContact CD1-CG2 4.46Å; F41-I180 HydrophobicContact CD2-CG2 4.13Å; F41-I180 HydrophobicContact CE1-CG2 3.98Å; F41-I180 HydrophobicContact CE2-CB 3.73Å; F41-I180 HydrophobicContact CE2-CG1 3.95Å; F41-I180 HydrophobicContact CE2-CG2 3.61Å; F41-I180 HydrophobicContact CZ-CB 3.83Å; F41-I180 HydrophobicContact CZ-CG2 3.52Å
42V93.7Very high92.3Very high42 Ų4267.9 Ų67.926%0.25535%0.348SS..SBendtrans-108.6113178.3-178.80000109.6K38 N44 Y45 Y63 I64K38-V42 HydrophobicContact CB-CG2 4.27Å; K38-V42 HydrophobicContact CG-CG2 4.47Å; K38-V42 WeakPolarHBondContact O-CA 3.4Å; K38-V42 VanDerWaalsContact O-CB 3.25Å; K38-V42 WeakPolarHBondContact O-CB 2.82Å; K38-V42 PolarHBondContact O-N 3.02Å; V42-N44 PolarHBondContact O-N 3.15Å; V42-Y45 HydrophobicContact CB-CD2 4.35Å; V42-Y45 HydrophobicContact CB-CG 4.33Å; V42-Y45 HydrophobicContact CG1-CD2 4.13Å; V42-Y45 HydrophobicContact CG1-CG 4.46Å; V42-Y45 VanDerWaalsContact O-CB 3.32Å; V42-Y45 WeakPolarHBondContact O-CB 3.17Å; V42-Y45 PolarHBondContact O-N 3.07Å; V42-Y63 WeakPolarHBondContact CG2-O 3.24Å; V42-I64 HydrophobicContact CG2-CB 4.5Å; V42-I64 HydrophobicContact CG2-CG2 4.13Å
43P89.3Confident91.9Very high115 Ų11568.5 Ų68.575%0.74735%0.35SS*.THydrogen-bonded Turntrans-57.6133.8179.5-25.534.4000112.3Y45P43-Y45 PolarHBondContact O-N 3.37Å
44N91.1Very high91.5Very high163 Ų16373.9 Ų73.987%0.87238%0.383SS*.THydrogen-bonded Turntrans57.726179.6-52.3-53.2000114.5V42 K46V42-N44 PolarHBondContact O-N 3.15Å; N44-K46 PolarHBondContact O-N 2.89Å
45Y92.1Very high91Very high71 Ų7177.3 Ų77.328%0.27840%0.403SS..  trans-63.9127.5177.7-173.5-111000111.7E35 K38 I39 V42 P43 S47E35-Y45 VanDerWaalsContact CD-OH 3.29Å; E35-Y45 PolarHBondContact OE1-OH 2.99Å; E35-Y45 WeakPolarHBondContact OE2-CE1 3.46Å; E35-Y45 PolarHBondContact OE2-OH 2.6Å; K38-Y45 HydrophobicContact CB-CD1 3.64Å; K38-Y45 HydrophobicContact CB-CD2 4.21Å; K38-Y45 HydrophobicContact CB-CE1 3.47Å; K38-Y45 VanDerWaalsContact CB-CE1 3.47Å; K38-Y45 HydrophobicContact CB-CE2 4.07Å; K38-Y45 HydrophobicContact CB-CG 4.01Å; K38-Y45 HydrophobicContact CD-CE1 3.98Å; K38-Y45 HydrophobicContact CD-CE2 3.8Å; K38-Y45 VanDerWaalsContact CD-CZ 3.41Å; K38-Y45 WeakPolarHBondContact CD-OH 3.28Å; K38-Y45 HydrophobicContact CG-CE1 4.41Å; K38-Y45 HydrophobicContact CG-CE2 4.48Å; I39-Y45 HydrophobicContact CG1-CD1 4.07Å; V42-Y45 HydrophobicContact CB-CD2 4.35Å; V42-Y45 HydrophobicContact CB-CG 4.33Å; V42-Y45 HydrophobicContact CG1-CD2 4.13Å; V42-Y45 HydrophobicContact CG1-CG 4.46Å; V42-Y45 VanDerWaalsContact O-CB 3.32Å; V42-Y45 WeakPolarHBondContact O-CB 3.17Å; V42-Y45 PolarHBondContact O-N 3.07Å; P43-Y45 PolarHBondContact O-N 3.37Å; Y45-S47 PolarHBondContact O-N 3.19Å
46K90.1Very high90.6Very high192 Ų19277.8 Ų77.884%0.83541%0.407SS*.  trans-90.9100.5173.7-68.1-176.7-179.41790108.8N44N44-K46 PolarHBondContact O-N 2.89Å
47S86.8Confident90.1Very high63 Ų6382.3 Ų82.344%0.44144%0.437SS..PPolyproline II helixtrans-62.9141.3178.959.50000112.2Y45Y45-S47 PolarHBondContact O-N 3.19Å
48I87.5Confident89.7Confident84 Ų8483.3 Ų83.343%0.43145%0.447SS..PPolyproline II helixtrans-70132.5163.7-59.5169.4000107.4I50 K52I48-I50 PolarHBondContact O-N 2.87Å; I48-K52 HydrophobicContact CG2-CB 3.87Å
49P87.3Confident89.5Confident60 Ų6085.1 Ų85.139%0.3946%0.457SS..PPolyproline II helixtrans-53.7133.4173.8-2532.7000110.8Q51 K52P49-Q51 PolarHBondContact O-N 2.88Å; P49-Q51 VanDerWaalsContact O-N 3.08Å; P49-K52 HydrophobicContact CB-CD 4.43Å; P49-K52 HydrophobicContact CB-CG 4.28Å; P49-K52 HydrophobicContact CG-CD 4.15Å; P49-K52 WeakPolarHBondContact O-CA 3.34Å; P49-K52 WeakPolarHBondContact O-CB 3.46Å; P49-K52 PolarHBondContact O-N 3.41Å
50I84.2Confident89.5Confident69 Ų6984 Ų8435%0.35445%0.451SS..G310 helixtrans-54-35.9-175-68.1150.1000111.9I48 K52 I53 L171I48-I50 PolarHBondContact O-N 2.87Å; I50-K52 PolarHBondContact O-N 2.83Å; I50-K52 VanDerWaalsContact O-N 3.16Å; I50-I53 WeakPolarHBondContact O-CB 3.29Å; I50-I53 PolarHBondContact O-N 3.03Å; I50-L171 HydrophobicContact CD1-CD1 3.67Å; I50-L171 HydrophobicContact CG2-CD1 4.17Å
51Q85.1Confident89.6Confident168 Ų16884 Ų8479%0.78545%0.451SS*.G310 helixtrans-67.5-14.3179.3-53.279.219.100113.6P49P49-Q51 PolarHBondContact O-N 2.88Å; P49-Q51 VanDerWaalsContact O-N 3.08Å
52K89.2Confident89.6Confident149 Ų14982.5 Ų82.565%0.64845%0.445SS*.G310 helixtrans-96-4.3175.7-62.3-172.4-178.3-177.90112.8I48 P49 I50 T54I48-K52 HydrophobicContact CG2-CB 3.87Å; P49-K52 HydrophobicContact CB-CD 4.43Å; P49-K52 HydrophobicContact CB-CG 4.28Å; P49-K52 HydrophobicContact CG-CD 4.15Å; P49-K52 WeakPolarHBondContact O-CA 3.34Å; P49-K52 WeakPolarHBondContact O-CB 3.46Å; P49-K52 PolarHBondContact O-N 3.41Å; I50-K52 PolarHBondContact O-N 2.83Å; I50-K52 VanDerWaalsContact O-N 3.16Å; K52-T54 PolarHBondContact O-N 3.37Å
53I88.2Confident89.7Confident40 Ų4085.4 Ų85.421%0.20545%0.452CS..  trans-73.5117.5174.7-60.8178.2000107.9T31 T32 E35 I50T31-I53 HydrophobicContact CG2-CG2 3.74Å; T32-I53 HydrophobicContact CG2-CD1 4.39Å; E35-I53 HydrophobicContact CB-CD1 4.39Å; E35-I53 HydrophobicContact CG-CD1 4.18Å; I50-I53 WeakPolarHBondContact O-CB 3.29Å; I50-I53 PolarHBondContact O-N 3.03Å
54T89Confident90.1Very high114 Ų11480 Ų8070%0.69942%0.417SS*.  trans-108.5169.6177.558.90000110.9K52 T56K52-T54 PolarHBondContact O-N 3.37Å; T54-T56 PolarHBondContact O-N 3.1Å
55T88.1Confident90.2Very high72 Ų7274.9 Ų74.944%0.44239%0.388SS..  trans-57.9127.2174.4-53.80000110.9V57 Q79T55-V57 PolarHBondContact O-N 2.82Å; T55-Q79 HydrophobicContact CG2-CG 4.3Å
56T87.1Confident90.3Very high20 Ų2071.9 Ų71.912%0.12338%0.376CS..  trans-67.8119.1175.5-57.50000110.5T31 T54 N60 D75 G77T31-T56 PolarHBondContact OG1-OG1 3.01Å; T54-T56 PolarHBondContact O-N 3.1Å; T56-N60 HydrophobicContact CG2-CB 4.02Å; T56-D75 PolarHBondContact OG1-OD2 3.38Å; T56-G77 WeakPolarHBondContact O-CA 3.42Å
57V86.2Confident90.4Very high123 Ų12367.8 Ų67.875%0.74536%0.364SS*.  trans-96.6110.6169.8-177.40000107.7T55T55-V57 PolarHBondContact O-N 2.82Å
58G88.1Confident90.5Very high21 Ų2167.5 Ų67.522%0.21637%0.371CS..SBendtrans87.2-108.1-177.300000113G77G58-G77 PolarHBondContact O-N 2.86Å
59L93.1Very high90.7Very high56 Ų5663.8 Ų63.829%0.29335%0.352SS..EExtended strand (participates in β ladder)trans-139.7130.4-170.5172.166.4000111.7I61 W74 L76 Y89L59-I61 HydrophobicContact CD1-CG1 4.35Å; L59-I61 HydrophobicContact CD2-CD1 3.98Å; L59-I61 HydrophobicContact CD2-CG1 3.98Å; L59-I61 HydrophobicContact CG-CD1 4.5Å; L59-I61 HydrophobicContact CG-CG1 3.96Å; L59-W74 HydrophobicContact CD1-CB 3.61Å; L59-W74 HydrophobicContact CD1-CG 4.1Å; L59-L76 HydrophobicContact CB-CD2 3.87Å; L59-L76 HydrophobicContact CD1-CD2 3.51Å; L59-L76 HydrophobicContact CD1-CG 4.23Å; L59-L76 HydrophobicContact CG-CD2 4.23Å; L59-Y89 HydrophobicContact CD2-CE1 3.71Å
60N94.4Very high91.1Very high44 Ų4464.7 Ų64.724%0.23535%0.348CS..EExtended strand (participates in β ladder)trans-109.4137.4166.5172.236.1000109.5T56 D75T56-N60 HydrophobicContact CG2-CB 4.02Å; N60-D75 HydrophobicContact CB-CB 4.01Å; N60-D75 PolarHBondContact N-O 2.81Å; N60-D75 PolarHBondContact ND2-OD2 2.91Å; N60-D75 VanDerWaalsContact ND2-OD2 3.15Å; N60-D75 PolarHBondContact O-N 2.87Å
61I96Very high91.8Very high66 Ų6661.4 Ų61.434%0.33833%0.331SS..EExtended strand (participates in β ladder)trans-115130.4-178.2-53.6-173.2000109.8L59 Y63 K72 F73L59-I61 HydrophobicContact CD1-CG1 4.35Å; L59-I61 HydrophobicContact CD2-CD1 3.98Å; L59-I61 HydrophobicContact CD2-CG1 3.98Å; L59-I61 HydrophobicContact CG-CD1 4.5Å; L59-I61 HydrophobicContact CG-CG1 3.96Å; I61-Y63 HydrophobicContact CG2-CE2 3.75Å; I61-K72 HydrophobicContact CG2-CG 4.2Å; I61-F73 WeakPolarHBondContact CA-O 3.48Å
62G95.6Very high92.4Very high1 Ų155 Ų551%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-129.7155.1175.300000112.2K38 K72 F73K38-G62 VanDerWaalsContact CE-CA 3.47Å; G62-K72 CarbonylContact O-C 3.48Å; G62-F73 PolarHBondContact N-O 3.03Å; G62-F73 VanDerWaalsContact N-O 3.09Å; G62-F73 PolarHBondContact O-N 3.49Å
63Y96Very high92.8Very high102 Ų10247.9 Ų47.940%0.427%0.269SS..EExtended strand (participates in β ladder)trans-130.4139.2177.5-58.2-88.7000109.6V42 I61 R70 L71 K72V42-Y63 WeakPolarHBondContact CG2-O 3.24Å; I61-Y63 HydrophobicContact CG2-CE2 3.75Å; Y63-R70 HydrophobicContact CD1-CG 4.36Å; Y63-L71 WeakPolarHBondContact CA-O 3.37Å; Y63-K72 HydrophobicContact CD1-CB 3.98Å; Y63-K72 HydrophobicContact CD1-CG 4.09Å; Y63-K72 HydrophobicContact CE1-CB 3.88Å; Y63-K72 HydrophobicContact CE1-CD 3.77Å; Y63-K72 HydrophobicContact CE1-CG 3.58Å
64I95.9Very high93.2Very high2 Ų246.4 Ų46.41%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-136.7155.516772.5178.9000109.7K38 F41 V42 R70 L71 F73 I180K38-I64 HydrophobicContact CG-CG2 4.22Å; F41-I64 HydrophobicContact CB-CB 3.8Å; F41-I64 HydrophobicContact CB-CD1 4.27Å; F41-I64 HydrophobicContact CB-CG1 4.49Å; F41-I64 HydrophobicContact CB-CG2 4.12Å; F41-I64 HydrophobicContact CD2-CD1 4.25Å; F41-I64 HydrophobicContact CG-CD1 4.18Å; V42-I64 HydrophobicContact CG2-CB 4.5Å; V42-I64 HydrophobicContact CG2-CG2 4.13Å; I64-R70 WeakPolarHBondContact O-CA 3.21Å; I64-L71 HydrophobicContact CD1-CD1 4.25Å; I64-L71 HydrophobicContact CG1-CB 3.93Å; I64-L71 HydrophobicContact CG1-CD1 4.46Å; I64-L71 HydrophobicContact CG1-CG 4.46Å; I64-L71 PolarHBondContact N-O 3.09Å; I64-L71 PolarHBondContact O-N 2.99Å; I64-F73 HydrophobicContact CD1-CE2 3.57Å; I64-F73 HydrophobicContact CD1-CZ 3.95Å; I64-F73 HydrophobicContact CG1-CE2 3.69Å; I64-F73 HydrophobicContact CG1-CZ 4.43Å; I64-F73 HydrophobicContact CG2-CE2 4.27Å; I64-I180 HydrophobicContact CD1-CB 4.47Å; I64-I180 HydrophobicContact CD1-CD1 3.89Å; I64-I180 HydrophobicContact CD1-CG1 4.29Å; I64-I180 HydrophobicContact CD1-CG2 3.38Å
65E93.6Very high93.6Very high56 Ų5641 Ų4126%0.26223%0.228SC..EExtended strand (participates in β ladder)trans-109.4126.7173.4-60.8-79.4170.400108.1R15 I69 R70R15-E65 IonicContact CZ-OE2 3.81Å; R15-E65 VanDerWaalsContact NH1-CD 3.29Å; R15-E65 IonicContact NH1-OE1 3.79Å; R15-E65 IonicContact NH1-OE2 2.75Å; R15-E65 PolarHBondContact NH1-OE2 2.83Å; E65-I69 WeakPolarHBondContact CA-O 3.38Å; E65-R70 IonicContact OE1-CZ 3.27Å; E65-R70 VanDerWaalsContact OE1-CZ 3.27Å; E65-R70 IonicContact OE1-NE 2.73Å; E65-R70 PolarHBondContact OE1-NE 3.28Å; E65-R70 IonicContact OE1-NH2 2.9Å; E65-R70 PolarHBondContact OE1-NH2 3.28Å
66V94.8Very high94Very high7 Ų737.6 Ų37.64%0.04221%0.207CC..EExtended strand (participates in β ladder)trans-147.1132.9-179.357.70000109.6F41 G68 I69 L71 I180 K181 A184F41-V66 HydrophobicContact CD1-CB 4.03Å; F41-V66 HydrophobicContact CD1-CG2 4.17Å; F41-V66 HydrophobicContact CE1-CB 4.07Å; F41-V66 HydrophobicContact CE1-CG2 3.69Å; V66-G68 PolarHBondContact O-N 2.77Å; V66-I69 HydrophobicContact CG1-CG1 4.35Å; V66-I69 PolarHBondContact N-O 3.1Å; V66-I69 WeakPolarHBondContact O-CG1 3.06Å; V66-I69 PolarHBondContact O-N 2.7Å; V66-L71 HydrophobicContact CG1-CD1 3.88Å; V66-L71 HydrophobicContact CG1-CG 3.96Å; V66-I180 HydrophobicContact CG1-CG2 4.31Å; V66-I180 HydrophobicContact CG2-CG2 4.42Å; V66-K181 HydrophobicContact CG2-CG 4.35Å; V66-A184 HydrophobicContact CG1-CB 3.67Å; V66-A184 HydrophobicContact CG2-CB 4.38Å
67D91.2Very high94.4Very high106 Ų10636.8 Ų36.857%0.56720%0.202SC*.THydrogen-bonded Turntrans47.738174.5-57.7-25.3000115.3
68G89.2Confident94.7Very high58 Ų5831 Ų3160%0.59817%0.167SC*.THydrogen-bonded Turntrans83.13.6176.800000115.6V66V66-G68 PolarHBondContact O-N 2.77Å
69I92.9Very high95Very high5 Ų533.2 Ų33.23%0.02617%0.172CC..EExtended strand (participates in β ladder)trans-116.9159.1176.264.8164.8000110.9D16 F18 E65 V66 L71 A184 V187 K188D16-I69 HydrophobicContact CB-CG2 4.38Å; F18-I69 HydrophobicContact CD2-CB 4.17Å; F18-I69 HydrophobicContact CD2-CD1 3.71Å; F18-I69 HydrophobicContact CD2-CG2 4.41Å; F18-I69 HydrophobicContact CE2-CB 4.21Å; F18-I69 HydrophobicContact CE2-CD1 4.04Å; F18-I69 HydrophobicContact CE2-CG2 3.94Å; E65-I69 WeakPolarHBondContact CA-O 3.38Å; V66-I69 HydrophobicContact CG1-CG1 4.35Å; V66-I69 PolarHBondContact N-O 3.1Å; V66-I69 WeakPolarHBondContact O-CG1 3.06Å; V66-I69 PolarHBondContact O-N 2.7Å; I69-L71 HydrophobicContact CD1-CD2 3.74Å; I69-L71 HydrophobicContact CD1-CG 4.47Å; I69-L71 HydrophobicContact CG1-CD2 4.49Å; I69-A184 HydrophobicContact CD1-CB 4.09Å; I69-V187 HydrophobicContact CD1-CG2 4.21Å; I69-K188 HydrophobicContact CG2-CD 4.38Å
70R95.5Very high94.9Very high79 Ų7936.6 Ų36.630%0.29819%0.187SC..EExtended strand (participates in β ladder)trans-99.6129.8168.3-177.3177.6-71.4178.5-3.9109.6D16 E17 F18 Y63 I64 E65 L199D16-R70 PolarHBondContact O-N 3.22Å; E17-R70 WeakPolarHBondContact CA-O 2.89Å; E17-R70 HydrophobicContact CB-CB 4.44Å; E17-R70 HydrophobicContact CG-CB 4.4Å; E17-R70 HydrophobicContact CG-CG 4.31Å; E17-R70 VanDerWaalsContact OE2-CD 3.22Å; E17-R70 WeakPolarHBondContact OE2-CD 3.16Å; F18-R70 PolarHBondContact N-O 3.47Å; Y63-R70 HydrophobicContact CD1-CG 4.36Å; I64-R70 WeakPolarHBondContact O-CA 3.21Å; E65-R70 IonicContact OE1-CZ 3.27Å; E65-R70 VanDerWaalsContact OE1-CZ 3.27Å; E65-R70 IonicContact OE1-NE 2.73Å; E65-R70 PolarHBondContact OE1-NE 3.28Å; E65-R70 IonicContact OE1-NH2 2.9Å; E65-R70 PolarHBondContact OE1-NH2 3.28Å; R70-L199 HydrophobicContact CB-CD1 4.36Å
71L97.6Very high94.7Very high0 Ų041.3 Ų41.30%021%0.207CC..EExtended strand (participates in β ladder)trans-99125.5165.9-59.9-174.7000109.3F18 V20 Y63 I64 V66 I69 F73 I183 A184 V187F18-L71 HydrophobicContact CB-CD2 3.86Å; F18-L71 WeakPolarHBondContact O-CA 3.21Å; V20-L71 HydrophobicContact CG2-CD2 4.22Å; Y63-L71 WeakPolarHBondContact CA-O 3.37Å; I64-L71 HydrophobicContact CD1-CD1 4.25Å; I64-L71 HydrophobicContact CG1-CB 3.93Å; I64-L71 HydrophobicContact CG1-CD1 4.46Å; I64-L71 HydrophobicContact CG1-CG 4.46Å; I64-L71 PolarHBondContact N-O 3.09Å; I64-L71 PolarHBondContact O-N 2.99Å; V66-L71 HydrophobicContact CG1-CD1 3.88Å; V66-L71 HydrophobicContact CG1-CG 3.96Å; I69-L71 HydrophobicContact CD1-CD2 3.74Å; I69-L71 HydrophobicContact CD1-CG 4.47Å; I69-L71 HydrophobicContact CG1-CD2 4.49Å; L71-F73 HydrophobicContact CB-CE2 3.87Å; L71-F73 HydrophobicContact CB-CZ 3.95Å; L71-F73 HydrophobicContact CD1-CE2 4.47Å; L71-F73 HydrophobicContact CD1-CZ 3.85Å; L71-I183 HydrophobicContact CD1-CG2 4.09Å; L71-A184 HydrophobicContact CD1-CB 4.14Å; L71-V187 HydrophobicContact CD2-CG2 3.92Å
72K97.7Very high94.5Very high33 Ų3339.5 Ų39.514%0.14320%0.198CC..EExtended strand (participates in β ladder)trans-102.3110.8171.3175.6177.4-174.5172.60108.9E17 F18 S19 V20 I61 G62 Y63 W74E17-K72 HydrophobicContact CG-CB 3.96Å; E17-K72 WeakPolarHBondContact OE1-CD 3.43Å; F18-K72 PolarHBondContact O-N 3.25Å; S19-K72 CarbonylContact C-O 3.58Å; S19-K72 VanDerWaalsContact CA-O 3.29Å; S19-K72 WeakPolarHBondContact CA-O 3.25Å; V20-K72 PolarHBondContact N-O 3.36Å; I61-K72 HydrophobicContact CG2-CG 4.2Å; G62-K72 CarbonylContact O-C 3.48Å; Y63-K72 HydrophobicContact CD1-CB 3.98Å; Y63-K72 HydrophobicContact CD1-CG 4.09Å; Y63-K72 HydrophobicContact CE1-CB 3.88Å; Y63-K72 HydrophobicContact CE1-CD 3.77Å; Y63-K72 HydrophobicContact CE1-CG 3.58Å; K72-W74 HydrophobicContact CD-CZ2 4.38Å
73F98.4Very high94.4Very high0 Ų040.7 Ų40.70%020%0.204CC..EExtended strand (participates in β ladder)trans-88.9136.7177.9-65.9-77.4000111.8V20 I22 L34 I61 G62 I64 L71 I97 I180V20-F73 HydrophobicContact CB-CD1 3.73Å; V20-F73 HydrophobicContact CB-CE1 3.74Å; V20-F73 HydrophobicContact CG1-CD1 3.88Å; V20-F73 HydrophobicContact CG1-CE1 3.69Å; V20-F73 HydrophobicContact CG2-CE1 4.36Å; V20-F73 CarbonylContact O-C 3.33Å; V20-F73 VanDerWaalsContact O-CA 3.28Å; V20-F73 WeakPolarHBondContact O-CA 3.3Å; I22-F73 HydrophobicContact CD1-CB 3.94Å; I22-F73 HydrophobicContact CD1-CD1 3.66Å; I22-F73 HydrophobicContact CD1-CE1 4.47Å; I22-F73 HydrophobicContact CD1-CG 3.97Å; I22-F73 HydrophobicContact CG1-CB 4.39Å; I22-F73 HydrophobicContact CG1-CD1 3.79Å; I22-F73 HydrophobicContact CG1-CG 4.45Å; L34-F73 HydrophobicContact CD1-CB 3.61Å; L34-F73 HydrophobicContact CD1-CD2 3.44Å; L34-F73 VanDerWaalsContact CD1-CD2 3.44Å; L34-F73 HydrophobicContact CD1-CE2 4.25Å; L34-F73 HydrophobicContact CD1-CG 3.63Å; L34-F73 HydrophobicContact CD2-CB 4.08Å; I61-F73 WeakPolarHBondContact CA-O 3.48Å; G62-F73 PolarHBondContact N-O 3.03Å; G62-F73 VanDerWaalsContact N-O 3.09Å; G62-F73 PolarHBondContact O-N 3.49Å; I64-F73 HydrophobicContact CD1-CE2 3.57Å; I64-F73 HydrophobicContact CD1-CZ 3.95Å; I64-F73 HydrophobicContact CG1-CE2 3.69Å; I64-F73 HydrophobicContact CG1-CZ 4.43Å; I64-F73 HydrophobicContact CG2-CE2 4.27Å; L71-F73 HydrophobicContact CB-CE2 3.87Å; L71-F73 HydrophobicContact CB-CZ 3.95Å; L71-F73 HydrophobicContact CD1-CE2 4.47Å; L71-F73 HydrophobicContact CD1-CZ 3.85Å; F73-I97 HydrophobicContact CE1-CD1 3.85Å; F73-I180 HydrophobicContact CE1-CD1 4.34Å; F73-I180 HydrophobicContact CE2-CD1 4.3Å; F73-I180 HydrophobicContact CZ-CD1 3.6Å
74W97.7Very high94.2Very high9 Ų939.8 Ų39.83%0.03421%0.212CC..EExtended strand (participates in β ladder)trans-111.697.3167-66.3-48.6000108.8S19 V20 L21 I22 L59 K72 E92S19-W74 VanDerWaalsContact OG-CH2 3.26Å; S19-W74 WeakPolarHBondContact OG-CH2 3.23Å; V20-W74 PolarHBondContact O-N 2.91Å; L21-W74 HydrophobicContact CD2-CB 3.79Å; L21-W74 HydrophobicContact CD2-CD2 4.36Å; L21-W74 HydrophobicContact CD2-CE3 3.68Å; L21-W74 HydrophobicContact CD2-CG 4.47Å; L21-W74 HydrophobicContact CG-CE3 4.1Å; I22-W74 PolarHBondContact N-O 2.96Å; L59-W74 HydrophobicContact CD1-CB 3.61Å; L59-W74 HydrophobicContact CD1-CG 4.1Å; K72-W74 HydrophobicContact CD-CZ2 4.38Å; W74-E92 HydrophobicContact CH2-CB 3.45Å; W74-E92 VanDerWaalsContact CH2-CB 3.45Å; W74-E92 HydrophobicContact CZ2-CB 4.45Å; W74-E92 HydrophobicContact CZ3-CB 3.96Å
75D97.4Very high94Very high0 Ų041.8 Ų41.80%022%0.223CC..EExtended strand (participates in β ladder)trans-86.2106.7175.7169.835.2000109.2I22 K30 T31 L34 T56 N60I22-D75 HydrophobicContact CB-CB 4.5Å; K30-D75 VanDerWaalsContact CB-OD1 3.28Å; K30-D75 WeakPolarHBondContact CB-OD1 3.38Å; T31-D75 WeakPolarHBondContact CA-OD2 3.29Å; T31-D75 WeakPolarHBondContact CB-OD2 3.27Å; T31-D75 PolarHBondContact OG1-OD2 3.37Å; L34-D75 HydrophobicContact CD2-CB 3.83Å; T56-D75 PolarHBondContact OG1-OD2 3.38Å; N60-D75 HydrophobicContact CB-CB 4.01Å; N60-D75 PolarHBondContact N-O 2.81Å; N60-D75 PolarHBondContact ND2-OD2 2.91Å; N60-D75 VanDerWaalsContact ND2-OD2 3.15Å; N60-D75 PolarHBondContact O-N 2.87Å
76L96.5Very high94.2Very high2 Ų239.4 Ų39.41%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-97.7151.6-175.2-68.6178.2000111.9L21 I22 L23 K30 L59 W86 Y89L21-L76 HydrophobicContact CD2-CD1 4.11Å; I22-L76 PolarHBondContact O-N 2.94Å; L23-L76 HydrophobicContact CD2-CB 4.09Å; L23-L76 HydrophobicContact CD2-CD1 3.72Å; L23-L76 HydrophobicContact CD2-CG 4.28Å; K30-L76 WeakPolarHBondContact CE-O 3.37Å; L59-L76 HydrophobicContact CB-CD2 3.87Å; L59-L76 HydrophobicContact CD1-CD2 3.51Å; L59-L76 HydrophobicContact CD1-CG 4.23Å; L59-L76 HydrophobicContact CG-CD2 4.23Å; L76-W86 HydrophobicContact CD1-CB 4.43Å; L76-W86 HydrophobicContact CD1-CG 4.31Å; L76-Y89 HydrophobicContact CD1-CD2 3.6Å; L76-Y89 HydrophobicContact CD1-CE2 4.11Å; L76-Y89 HydrophobicContact CD1-CG 4.23Å; L76-Y89 HydrophobicContact CD2-CD2 3.91Å; L76-Y89 HydrophobicContact CD2-CE2 3.61Å; L76-Y89 HydrophobicContact CG-CD2 4.41Å
77G94.3Very high94.2Very high2 Ų243.3 Ų43.32%0.02123%0.232CC..  trans-55.3138.6170.900000112.1T56 G58 W86T56-G77 WeakPolarHBondContact O-CA 3.42Å; G58-G77 PolarHBondContact O-N 2.86Å; G77-W86 PolarHBondContact O-NE1 3.31Å
78G93.8Very high94.4Very high1 Ų145.2 Ų45.21%0.0124%0.235CC..  trans-101.8-10.2-177.200000115.4G24 D26 Q83G24-G78 VanDerWaalsContact O-CA 3.23Å; G24-G78 WeakPolarHBondContact O-CA 3.41Å; D26-G78 PolarHBondContact N-O 2.95Å; G78-Q83 PolarHBondContact O-NE2 3.34Å
79Q93.2Very high94.7Very high68 Ų6845.6 Ų45.632%0.31822%0.219SC..SBendtrans-59.4142.5176.5-66.7178.5-17.700109.6D26 T55 E81 L82 Q83D26-Q79 HydrophobicContact CB-CG 3.95Å; T55-Q79 HydrophobicContact CG2-CG 4.3Å; Q79-E81 PolarHBondContact O-N 2.93Å; Q79-E81 VanDerWaalsContact O-N 3.11Å; Q79-L82 HydrophobicContact CB-CD1 4.28Å; Q79-L82 HydrophobicContact CB-CG 4.33Å; Q79-L82 WeakPolarHBondContact O-CA 3.41Å; Q79-L82 WeakPolarHBondContact O-CB 3.4Å; Q79-L82 PolarHBondContact O-N 3.4Å; Q79-Q83 WeakPolarHBondContact O-CG 3.47Å; Q79-Q83 PolarHBondContact O-N 2.83Å; Q79-Q83 VanDerWaalsContact O-N 3.07Å
80E91.4Very high94.9Very high128 Ų12845.9 Ų45.960%0.59822%0.22SC*.Hα-helixtrans-49.5-42.6-174.5-170.8175.6-171.400112.5L82 Q83E80-L82 VanDerWaalsContact C-N 3.28Å; E80-L82 PolarHBondContact O-N 2.9Å; E80-Q83 WeakPolarHBondContact O-CB 3.38Å; E80-Q83 PolarHBondContact O-N 2.73Å
81E90.9Very high94.9Very high142 Ų14245.6 Ų45.666%0.66423%0.234SC*.Hα-helixtrans-64.4-32.6179.6-55.982.5179.700112.7Q79 S84Q79-E81 PolarHBondContact O-N 2.93Å; Q79-E81 VanDerWaalsContact O-N 3.11Å; E81-S84 PolarHBondContact O-OG 3.32Å
82L90.8Very high94.7Very high29 Ų2950.5 Ų50.515%0.15226%0.257CS..Hα-helixtrans-84.6-19179.7-61.8178.6000113Q79 E80 S84 L85Q79-L82 HydrophobicContact CB-CD1 4.28Å; Q79-L82 HydrophobicContact CB-CG 4.33Å; Q79-L82 WeakPolarHBondContact O-CA 3.41Å; Q79-L82 WeakPolarHBondContact O-CB 3.4Å; Q79-L82 PolarHBondContact O-N 3.4Å; E80-L82 VanDerWaalsContact C-N 3.28Å; E80-L82 PolarHBondContact O-N 2.9Å; L82-S84 PolarHBondContact O-N 3.15Å; L82-S84 VanDerWaalsContact O-N 3.17Å; L82-L85 HydrophobicContact CD2-CD1 4.16Å; L82-L85 WeakPolarHBondContact O-CB 3.21Å; L82-L85 PolarHBondContact O-N 3.44Å
83Q93.1Very high94.7Very high26 Ų2649 Ų4912%0.12125%0.251CS..Hα-helixtrans-60.7-26.1177.5-60.8-177.914.600112G78 Q79 E80 L85 W86G78-Q83 PolarHBondContact O-NE2 3.34Å; Q79-Q83 WeakPolarHBondContact O-CG 3.47Å; Q79-Q83 PolarHBondContact O-N 2.83Å; Q79-Q83 VanDerWaalsContact O-N 3.07Å; E80-Q83 WeakPolarHBondContact O-CB 3.38Å; E80-Q83 PolarHBondContact O-N 2.73Å; Q83-L85 PolarHBondContact O-N 2.9Å; Q83-L85 VanDerWaalsContact O-N 3.1Å; Q83-W86 HydrophobicContact CB-CD2 4.25Å; Q83-W86 HydrophobicContact CB-CZ2 4.25Å; Q83-W86 HydrophobicContact CG-CH2 3.94Å; Q83-W86 HydrophobicContact CG-CZ2 3.63Å; Q83-W86 WeakPolarHBondContact O-CB 3.47Å; Q83-W86 PolarHBondContact O-N 3.1Å; Q83-W86 VanDerWaalsContact O-N 3.11Å
84S91.8Very high94.7Very high82 Ų8249.4 Ų49.457%0.57325%0.253SS*.THydrogen-bonded Turntrans-60.3-14.3172.468.10000114.5E81 L82E81-S84 PolarHBondContact O-OG 3.32Å; L82-S84 PolarHBondContact O-N 3.15Å; L82-S84 VanDerWaalsContact O-N 3.17Å
85L92.9Very high94.7Very high45 Ų4549 Ų4924%0.23625%0.251CS..THydrogen-bonded Turntrans-91.2-13.8177.5-61.5175.9000113.4L82 Q83 D87 K88 Y89L82-L85 HydrophobicContact CD2-CD1 4.16Å; L82-L85 WeakPolarHBondContact O-CB 3.21Å; L82-L85 PolarHBondContact O-N 3.44Å; Q83-L85 PolarHBondContact O-N 2.9Å; Q83-L85 VanDerWaalsContact O-N 3.1Å; L85-D87 VanDerWaalsContact C-N 3.31Å; L85-D87 PolarHBondContact O-N 3.18Å; L85-K88 HydrophobicContact CD2-CD 4.03Å; L85-K88 VanDerWaalsContact CD2-NZ 3.29Å; L85-K88 WeakPolarHBondContact O-CB 3.43Å; L85-K88 PolarHBondContact O-N 3.11Å; L85-Y89 VanDerWaalsContact O-CD2 3.29Å; L85-Y89 WeakPolarHBondContact O-CD2 3.48Å
86W96.5Very high94.8Very high5 Ų549.2 Ų49.22%0.01925%0.253CS..THydrogen-bonded Turntrans-60.9-41.1-173-66.8-0.4000112.2L23 L76 G77 Q83 K88 Y89 Y90 Y98 A114 M118L23-W86 HydrophobicContact CB-CH2 4.42Å; L23-W86 HydrophobicContact CB-CZ2 4.43Å; L23-W86 HydrophobicContact CB-CZ3 4.46Å; L23-W86 HydrophobicContact CD1-CD2 4.43Å; L23-W86 HydrophobicContact CD1-CE3 4.29Å; L23-W86 HydrophobicContact CD2-CB 4.42Å; L23-W86 HydrophobicContact CD2-CD2 3.95Å; L23-W86 HydrophobicContact CD2-CG 3.89Å; L76-W86 HydrophobicContact CD1-CB 4.43Å; L76-W86 HydrophobicContact CD1-CG 4.31Å; G77-W86 PolarHBondContact O-NE1 3.31Å; Q83-W86 HydrophobicContact CB-CD2 4.25Å; Q83-W86 HydrophobicContact CB-CZ2 4.25Å; Q83-W86 HydrophobicContact CG-CH2 3.94Å; Q83-W86 HydrophobicContact CG-CZ2 3.63Å; Q83-W86 WeakPolarHBondContact O-CB 3.47Å; Q83-W86 PolarHBondContact O-N 3.1Å; Q83-W86 VanDerWaalsContact O-N 3.11Å; W86-K88 PolarHBondContact O-N 3.17Å; W86-Y89 PolarHBondContact O-N 2.95Å; W86-Y89 VanDerWaalsContact O-N 3.08Å; W86-Y90 VanDerWaalsContact C-CE1 3.45Å; W86-Y90 HydrophobicContact CB-CE1 3.77Å; W86-Y90 VanDerWaalsContact CB-OH 3.32Å; W86-Y90 WeakPolarHBondContact CB-OH 3.24Å; W86-Y90 WeakPolarHBondContact O-CD1 3.44Å; W86-Y90 WeakPolarHBondContact O-CE1 3.26Å; W86-Y98 HydrophobicContact CH2-CE2 4.21Å; W86-Y98 HydrophobicContact CZ3-CE2 4.26Å; W86-A114 HydrophobicContact CH2-CB 4.17Å; W86-A114 HydrophobicContact CZ3-CB 4.25Å; W86-M118 HydrophobicContact CE3-CB 4.41Å; W86-M118 HydrophobicContact CZ3-CB 4.47Å
87D95Very high94.9Very high89 Ų8949.1 Ų49.148%0.47625%0.252SS..Hα-helixtrans-61.9-29.2-176.567-8.4000114L85 Y89 Y90L85-D87 VanDerWaalsContact C-N 3.31Å; L85-D87 PolarHBondContact O-N 3.18Å; D87-Y89 PolarHBondContact O-N 2.89Å; D87-Y89 VanDerWaalsContact O-N 3.14Å; D87-Y90 HydrophobicContact CB-CD2 4.03Å; D87-Y90 HydrophobicContact CB-CE2 3.89Å; D87-Y90 PolarHBondContact O-N 3.19Å
88K95.3Very high95.1Very high147 Ų14749 Ų4964%0.63925%0.251SS*.Hα-helixtrans-60.3-22.6175.9-59.3-176.2-179.7175.60113.2L85 W86L85-K88 HydrophobicContact CD2-CD 4.03Å; L85-K88 VanDerWaalsContact CD2-NZ 3.29Å; L85-K88 WeakPolarHBondContact O-CB 3.43Å; L85-K88 PolarHBondContact O-N 3.11Å; W86-K88 PolarHBondContact O-N 3.17Å
89Y96.3Very high95.3Very high66 Ų6649 Ų4926%0.25925%0.251SS..Hα-helixtrans-106.8-6.9-177.6-57.6-88.7000113.8L21 L59 L76 L85 W86 D87 A91 E92 S93L21-Y89 HydrophobicContact CD2-CG 4.37Å; L59-Y89 HydrophobicContact CD2-CE1 3.71Å; L76-Y89 HydrophobicContact CD1-CD2 3.6Å; L76-Y89 HydrophobicContact CD1-CE2 4.11Å; L76-Y89 HydrophobicContact CD1-CG 4.23Å; L76-Y89 HydrophobicContact CD2-CD2 3.91Å; L76-Y89 HydrophobicContact CD2-CE2 3.61Å; L76-Y89 HydrophobicContact CG-CD2 4.41Å; L85-Y89 VanDerWaalsContact O-CD2 3.29Å; L85-Y89 WeakPolarHBondContact O-CD2 3.48Å; W86-Y89 PolarHBondContact O-N 2.95Å; W86-Y89 VanDerWaalsContact O-N 3.08Å; D87-Y89 PolarHBondContact O-N 2.89Å; D87-Y89 VanDerWaalsContact O-N 3.14Å; Y89-A91 VanDerWaalsContact C-N 3.33Å; Y89-A91 PolarHBondContact O-N 3.05Å; Y89-E92 PolarHBondContact O-N 3.39Å; Y89-S93 PolarHBondContact O-N 3.37Å
90Y97Very high95.6Very high11 Ų1145.8 Ų45.84%0.04324%0.236CC..Hα-helixtrans-62.6-39-176.1-67.7-10000112.9L21 L23 W86 D87 E92 S93 M118 N121 L124 R194L21-Y90 HydrophobicContact CD1-CD1 3.65Å; L21-Y90 HydrophobicContact CD1-CE1 4.2Å; L23-Y90 HydrophobicContact CD1-CE1 3.99Å; W86-Y90 VanDerWaalsContact C-CE1 3.45Å; W86-Y90 HydrophobicContact CB-CE1 3.77Å; W86-Y90 VanDerWaalsContact CB-OH 3.32Å; W86-Y90 WeakPolarHBondContact CB-OH 3.24Å; W86-Y90 WeakPolarHBondContact O-CD1 3.44Å; W86-Y90 WeakPolarHBondContact O-CE1 3.26Å; D87-Y90 HydrophobicContact CB-CD2 4.03Å; D87-Y90 HydrophobicContact CB-CE2 3.89Å; D87-Y90 PolarHBondContact O-N 3.19Å; Y90-E92 VanDerWaalsContact C-N 3.28Å; Y90-E92 PolarHBondContact O-N 3.43Å; Y90-S93 PolarHBondContact O-N 2.98Å; Y90-S93 PolarHBondContact O-OG 3.2Å; Y90-M118 HydrophobicContact CE1-CG 4.37Å; Y90-N121 HydrophobicContact CD2-CB 3.87Å; Y90-N121 WeakPolarHBondContact CD2-ND2 3.33Å; Y90-N121 HydrophobicContact CE2-CB 3.75Å; Y90-L124 HydrophobicContact CD1-CD1 3.92Å; Y90-L124 HydrophobicContact CD1-CD2 3.92Å; Y90-L124 HydrophobicContact CD1-CG 4.09Å; Y90-L124 HydrophobicContact CD2-CD1 3.97Å; Y90-L124 HydrophobicContact CD2-CD2 4.45Å; Y90-L124 HydrophobicContact CD2-CG 3.88Å; Y90-L124 HydrophobicContact CE1-CD1 3.93Å; Y90-L124 HydrophobicContact CE2-CD1 4Å; Y90-L124 HydrophobicContact CE2-CG 4.41Å; Y90-L124 HydrophobicContact CG-CD1 3.95Å; Y90-L124 HydrophobicContact CG-CD2 3.78Å; Y90-L124 HydrophobicContact CG-CG 3.72Å; Y90-R194 PolarHBondContact O-NH1 3.3Å; Y90-R194 VanDerWaalsContact O-NH1 3.13Å
91A95.5Very high95.9Very high73 Ų7340.6 Ų40.660%0.60321%0.212SC*.THydrogen-bonded Turntrans-62.4-35.9-176.800000112.5Y89 V123Y89-A91 VanDerWaalsContact C-N 3.33Å; Y89-A91 PolarHBondContact O-N 3.05Å; A91-V123 HydrophobicContact CB-CG1 3.97Å
92E93.9Very high96.2Very high103 Ų10333.8 Ų33.848%0.48118%0.181SC..THydrogen-bonded Turntrans-90.3-3.7-179.5-57.1-167.4-16400113.5W74 Y89 Y90 K197W74-E92 HydrophobicContact CH2-CB 3.45Å; W74-E92 VanDerWaalsContact CH2-CB 3.45Å; W74-E92 HydrophobicContact CZ2-CB 4.45Å; W74-E92 HydrophobicContact CZ3-CB 3.96Å; Y89-E92 PolarHBondContact O-N 3.39Å; Y90-E92 VanDerWaalsContact C-N 3.28Å; Y90-E92 PolarHBondContact O-N 3.43Å; E92-K197 IonicContact OE2-NZ 2.71Å; E92-K197 PolarHBondContact OE2-NZ 3.08Å
93S97Very high96.6Very high1 Ų134 Ų341%0.00719%0.186CC..  trans-79.3134.4-177.9720000112.3L21 Y89 Y90 L124 R194L21-S93 VanDerWaalsContact CD1-CB 3.47Å; Y89-S93 PolarHBondContact O-N 3.37Å; Y90-S93 PolarHBondContact O-N 2.98Å; Y90-S93 PolarHBondContact O-OG 3.2Å; S93-L124 WeakPolarHBondContact OG-CD2 3.32Å; S93-R194 WeakPolarHBondContact O-CD 3.47Å; S93-R194 PolarHBondContact O-NH1 3.33Å
94N98.1Very high96.8Very high9 Ų934.6 Ų34.65%0.04819%0.19CC..SBendtrans-96.8-20.2170.9-57.1101.4000111.9F18 S19 P128 V187 R194 P195F18-N94 WeakPolarHBondContact CA-OD1 3.24Å; F18-N94 HydrophobicContact CB-CB 4.1Å; F18-N94 HydrophobicContact CD1-CB 3.84Å; F18-N94 HydrophobicContact CG-CB 4.48Å; S19-N94 PolarHBondContact N-OD1 2.97Å; S19-N94 PolarHBondContact O-N 3.39Å; N94-P128 WeakPolarHBondContact O-CD 3.44Å; N94-V187 HydrophobicContact CB-CB 4.27Å; N94-V187 HydrophobicContact CB-CG1 4.32Å; N94-V187 WeakPolarHBondContact O-CG1 3.38Å; N94-R194 PolarHBondContact ND2-O 3.3Å; N94-P195 PolarHBondContact ND2-O 2.89Å; N94-P195 VanDerWaalsContact ND2-O 3.1Å
95G98.4Very high97Very high0 Ų033.3 Ų33.30%018%0.181CC..EExtended strand (participates in β ladder)trans-156.4160177.200000112S19 V20 L21S19-G95 PolarHBondContact O-N 3.17Å; V20-G95 WeakPolarHBondContact CA-O 3.42Å; L21-G95 PolarHBondContact N-O 2.95Å
96V98.5Very high97.2Very high4 Ų438.4 Ų38.42%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-128.4133.6177.1-179.90000109.8L21 L23 M118 L124 V127 P128 L129 L130L21-V96 HydrophobicContact CB-CG2 4.37Å; L21-V96 HydrophobicContact CD1-CG2 4.33Å; L23-V96 HydrophobicContact CD1-CG1 3.92Å; L23-V96 HydrophobicContact CG-CG1 4.38Å; V96-M118 HydrophobicContact CG1-CE 4.5Å; V96-M118 HydrophobicContact CG1-SD 3.84Å; V96-L124 HydrophobicContact CG2-CD1 4.37Å; V96-L124 HydrophobicContact CG2-CD2 3.93Å; V96-V127 HydrophobicContact CG2-CG1 4.01Å; V96-P128 PolarHBondContact N-O 3.47Å; V96-L129 HydrophobicContact CB-CD1 3.88Å; V96-L129 HydrophobicContact CG1-CD1 3.73Å; V96-L129 CarbonylContact O-C 3.5Å; V96-L129 WeakPolarHBondContact O-CA 3.35Å; V96-L130 PolarHBondContact O-N 3.25Å
97I98.8Very high97.3Very high0 Ų041 Ų410%022%0.218CC..EExtended strand (participates in β ladder)trans-109.9121.9166.2-59.8-179.9000107.1V20 L21 I22 L23 Y33 F73 V99 L130 L132 I183V20-I97 HydrophobicContact CG1-CD1 3.98Å; V20-I97 HydrophobicContact CG1-CG1 3.81Å; L21-I97 PolarHBondContact O-N 3.18Å; I22-I97 CarbonylContact C-O 3.57Å; I22-I97 WeakPolarHBondContact CA-O 3.36Å; I22-I97 HydrophobicContact CG1-CB 4.49Å; L23-I97 PolarHBondContact N-O 3.37Å; Y33-I97 HydrophobicContact CE1-CD1 3.87Å; Y33-I97 HydrophobicContact CE1-CG2 4.5Å; F73-I97 HydrophobicContact CE1-CD1 3.85Å; I97-V99 HydrophobicContact CG2-CG2 4.1Å; I97-L130 CarbonylContact C-O 3.57Å; I97-L130 VanDerWaalsContact CA-O 3.26Å; I97-L130 WeakPolarHBondContact CA-O 3.4Å; I97-L130 HydrophobicContact CD1-CD2 4.23Å; I97-L130 HydrophobicContact CG1-CB 4.27Å; I97-L130 HydrophobicContact CG1-CD2 4.09Å; I97-L132 HydrophobicContact CG2-CD1 3.44Å; I97-L132 VanDerWaalsContact CG2-CD1 3.44Å; I97-L132 HydrophobicContact CG2-CG 3.78Å; I97-I183 HydrophobicContact CD1-CG2 4.33Å; I97-I183 HydrophobicContact CG1-CG1 4.39Å
98Y98.5Very high97.4Very high0 Ų037.5 Ų37.50%020%0.199CC..EExtended strand (participates in β ladder)trans-109.5119.7174.1-169.5-87.3000109.6L23 W86 V100 S111 F115 M118 L130 V131 L132 F151L23-Y98 HydrophobicContact CB-CD2 4.03Å; L23-Y98 CarbonylContact O-C 3.6Å; L23-Y98 WeakPolarHBondContact O-CA 3.29Å; W86-Y98 HydrophobicContact CH2-CE2 4.21Å; W86-Y98 HydrophobicContact CZ3-CE2 4.26Å; Y98-V100 HydrophobicContact CD1-CG2 3.91Å; Y98-V100 HydrophobicContact CE1-CG2 3.88Å; Y98-S111 WeakPolarHBondContact CE1-OG 3.33Å; Y98-S111 PolarHBondContact OH-O 2.96Å; Y98-S111 PolarHBondContact OH-OG 2.79Å; Y98-S111 VanDerWaalsContact OH-OG 3.05Å; Y98-F115 AromaticContact CD1-CD2 3.73Å; Y98-F115 HydrophobicContact CD1-CD2 3.73Å; Y98-F115 HydrophobicContact CD2-CD2 4.05Å; Y98-F115 HydrophobicContact CE1-CB 4.06Å; Y98-F115 HydrophobicContact CE1-CD2 4.08Å; Y98-F115 HydrophobicContact CE2-CB 4.13Å; Y98-F115 HydrophobicContact CE2-CD2 4.37Å; Y98-F115 AromaticContact CG-CD2 3.72Å; Y98-F115 HydrophobicContact CG-CD2 3.72Å; Y98-F115 HydrophobicContact CG-CE2 4.38Å; Y98-M118 HydrophobicContact CD2-CE 3.98Å; Y98-M118 HydrophobicContact CD2-SD 3.82Å; Y98-M118 HydrophobicContact CE2-SD 4.49Å; Y98-M118 HydrophobicContact CG-CE 4.49Å; Y98-L130 PolarHBondContact N-O 3.37Å; Y98-V131 HydrophobicContact CD1-CG1 4.48Å; Y98-V131 CarbonylContact O-C 3.56Å; Y98-V131 WeakPolarHBondContact O-CA 3.48Å; Y98-L132 PolarHBondContact O-N 2.94Å; Y98-F151 HydrophobicContact CE1-CE1 4.41Å; Y98-F151 HydrophobicContact CE1-CZ 4.4Å
99V98.7Very high97.4Very high1 Ų136.4 Ų36.41%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-101.8125.5-174.4-169.10000110.2I22 L23 A28 K30 I97 L132 N134I22-V99 HydrophobicContact CG2-CG2 3.86Å; L23-V99 PolarHBondContact O-N 3.49Å; A28-V99 HydrophobicContact CB-CB 4.39Å; A28-V99 HydrophobicContact CB-CG1 4.19Å; A28-V99 WeakPolarHBondContact CB-O 3.34Å; A28-V99 WeakPolarHBondContact O-CG1 3.49Å; K30-V99 HydrophobicContact CG-CB 3.95Å; K30-V99 HydrophobicContact CG-CG2 3.91Å; I97-V99 HydrophobicContact CG2-CG2 4.1Å; V99-L132 HydrophobicContact CG1-CB 4.46Å; V99-L132 HydrophobicContact CG2-CD1 4.31Å; V99-N134 HydrophobicContact CG1-CB 3.68Å
100V98.5Very high97.5Very high1 Ų136.7 Ų36.71%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-109.7132176.5-1750000108.5Y98 S102 F108 V131 L132 N134 I147 F151Y98-V100 HydrophobicContact CD1-CG2 3.91Å; Y98-V100 HydrophobicContact CE1-CG2 3.88Å; V100-S102 PolarHBondContact O-N 3.39Å; V100-F108 HydrophobicContact CG1-CE1 4.49Å; V100-V131 HydrophobicContact CG2-CG1 3.96Å; V100-L132 PolarHBondContact N-O 3.03Å; V100-N134 WeakPolarHBondContact O-CB 3.39Å; V100-N134 PolarHBondContact O-N 3.26Å; V100-I147 HydrophobicContact CG1-CD1 4.4Å; V100-I147 HydrophobicContact CG1-CG2 4.4Å; V100-F151 HydrophobicContact CB-CE2 4.5Å; V100-F151 HydrophobicContact CG1-CE2 4.09Å; V100-F151 HydrophobicContact CG1-CZ 4.35Å; V100-F151 HydrophobicContact CG2-CE2 3.64Å; V100-F151 HydrophobicContact CG2-CZ 3.59Å
101D98.4Very high97.5Very high18 Ų1836.4 Ų36.410%0.09620%0.204CC..EExtended strand (participates in β ladder)trans-75.4105.9168.3-170.5-16.2000109.3A28 A103 D104 F108 K135A28-D101 HydrophobicContact CB-CB 4.42Å; D101-A103 PolarHBondContact O-N 3.15Å; D101-A103 PolarHBondContact OD1-N 3.29Å; D101-D104 HydrophobicContact CB-CB 3.86Å; D101-D104 PolarHBondContact O-N 3.1Å; D101-F108 WeakPolarHBondContact O-CE1 3.47Å; D101-K135 VanDerWaalsContact OD1-CD 3.25Å; D101-K135 WeakPolarHBondContact OD1-CD 3.22Å; D101-K135 IonicContact OD1-NZ 2.76Å; D101-K135 WeakPolarHBondContact OD2-CE 3.27Å; D101-K135 IonicContact OD2-NZ 2.74Å; D101-K135 PolarHBondContact OD2-NZ 3.47Å
102S98.5Very high97.6Very high0 Ų034.9 Ų34.90%018%0.183CC..THydrogen-bonded Turntrans-72.4-13.6-176.5-43.20000113.3V100 A133 N134 Q136 A141 F142V100-S102 PolarHBondContact O-N 3.39Å; S102-A133 WeakPolarHBondContact OG-CA 3.35Å; S102-A133 WeakPolarHBondContact OG-CB 3.25Å; S102-N134 WeakPolarHBondContact CB-O 3.32Å; S102-N134 PolarHBondContact N-O 3.22Å; S102-N134 PolarHBondContact OG-N 2.85Å; S102-N134 PolarHBondContact OG-O 3.08Å; S102-Q136 PolarHBondContact OG-NE2 3.44Å; S102-A141 CarbonylContact O-C 3.58Å; S102-A141 WeakPolarHBondContact O-CA 3.23Å; S102-F142 WeakPolarHBondContact CB-O 3.33Å; S102-F142 PolarHBondContact O-N 3.14Å
103A98Very high97.7Very high32 Ų3234.1 Ų34.126%0.26418%0.182SC..THydrogen-bonded Turntrans-95.6-4-178.500000113.4D101 V138 A141D101-A103 PolarHBondContact O-N 3.15Å; D101-A103 PolarHBondContact OD1-N 3.29Å; A103-V138 HydrophobicContact CB-CB 4.07Å; A103-V138 HydrophobicContact CB-CG1 3.84Å; A103-V138 HydrophobicContact CB-CG2 4.45Å; A103-A141 HydrophobicContact CB-CB 4.36Å
104D97.5Very high97.7Very high39 Ų3934.1 Ų34.121%0.20918%0.183CC..  trans-114.270.1-174.3-166.7-8.9000110.8D101 D106 R107 F108D101-D104 HydrophobicContact CB-CB 3.86Å; D101-D104 PolarHBondContact O-N 3.1Å; D104-D106 PolarHBondContact O-N 2.93Å; D104-R107 PolarHBondContact O-N 2.82Å; D104-R107 IonicContact OD1-NE 3.35Å; D104-R107 IonicContact OD2-CZ 3.69Å; D104-R107 IonicContact OD2-NE 2.61Å; D104-R107 PolarHBondContact OD2-NE 2.78Å; D104-R107 IonicContact OD2-NH2 3.67Å; D104-R107 PolarHBondContact OD2-NH2 3.44Å; D104-F108 VanDerWaalsContact O-CD1 3.23Å; D104-F108 WeakPolarHBondContact O-CD1 3.33Å; D104-F108 WeakPolarHBondContact O-CE1 3.27Å
105S96.2Very high97.7Very high55 Ų5533.7 Ų33.739%0.38518%0.18SC..G310 helixtrans-62.1-27.4-177.754.30000113.5R107 F108S105-R107 PolarHBondContact O-N 3.43Å; S105-F108 WeakPolarHBondContact O-CB 3.27Å; S105-F108 PolarHBondContact O-N 3.08Å
106D97.4Very high97.6Very high153 Ų15334.5 Ų34.582%0.81819%0.185SC*.G310 helixtrans-66.6-23.4-178.3-65.3-14.7000111.8D104D104-D106 PolarHBondContact O-N 2.93Å
107R97.2Very high97.5Very high59 Ų5940.7 Ų40.722%0.22321%0.211CC..G310 helixtrans-106.414.2178.3-63.5-164.1-67159.83.9114.3L25 D26 D104 S105 D109 E110 S111L25-R107 HydrophobicContact CD1-CB 4.03Å; D26-R107 PolarHBondContact O-NH1 3.19Å; D26-R107 PolarHBondContact O-NH2 3.36Å; D26-R107 IonicContact OD1-NH1 3.9Å; D26-R107 PolarHBondContact OD1-NH1 3.37Å; D26-R107 IonicContact OD2-NH1 3.15Å; D104-R107 PolarHBondContact O-N 2.82Å; D104-R107 IonicContact OD1-NE 3.35Å; D104-R107 IonicContact OD2-CZ 3.69Å; D104-R107 IonicContact OD2-NE 2.61Å; D104-R107 PolarHBondContact OD2-NE 2.78Å; D104-R107 IonicContact OD2-NH2 3.67Å; D104-R107 PolarHBondContact OD2-NH2 3.44Å; S105-R107 PolarHBondContact O-N 3.43Å; R107-D109 PolarHBondContact O-N 2.9Å; R107-E110 WeakPolarHBondContact CD-OE2 3.41Å; R107-E110 PolarHBondContact O-N 2.95Å; R107-S111 WeakPolarHBondContact O-CB 3.43Å; R107-S111 PolarHBondContact O-N 3.13Å
108F97.2Very high97.3Very high16 Ų1640.8 Ų40.87%0.0721%0.212CC..Hα-helixtrans-62.2-42.5177.3-78.91.4000112.8V100 D101 D104 S105 S111 K112 F142 I147 V150V100-F108 HydrophobicContact CG1-CE1 4.49Å; D101-F108 WeakPolarHBondContact O-CE1 3.47Å; D104-F108 VanDerWaalsContact O-CD1 3.23Å; D104-F108 WeakPolarHBondContact O-CD1 3.33Å; D104-F108 WeakPolarHBondContact O-CE1 3.27Å; S105-F108 WeakPolarHBondContact O-CB 3.27Å; S105-F108 PolarHBondContact O-N 3.08Å; F108-S111 PolarHBondContact O-N 3.34Å; F108-K112 VanDerWaalsContact O-CB 3.28Å; F108-K112 WeakPolarHBondContact O-CB 3.26Å; F108-K112 PolarHBondContact O-N 3.38Å; F108-F142 HydrophobicContact CE2-CB 4.35Å; F108-F142 AromaticContact CE2-CD1 3.75Å; F108-F142 HydrophobicContact CE2-CD1 3.75Å; F108-F142 AromaticContact CE2-CD2 3.98Å; F108-F142 HydrophobicContact CE2-CD2 3.98Å; F108-F142 HydrophobicContact CE2-CE1 4Å; F108-F142 HydrophobicContact CE2-CE2 4.21Å; F108-F142 AromaticContact CE2-CG 3.76Å; F108-F142 HydrophobicContact CE2-CG 3.76Å; F108-F142 HydrophobicContact CE2-CZ 4.22Å; F108-F142 HydrophobicContact CZ-CB 4.07Å; F108-F142 HydrophobicContact CZ-CD1 4.29Å; F108-F142 AromaticContact CZ-CD2 3.89Å; F108-F142 HydrophobicContact CZ-CD2 3.89Å; F108-F142 HydrophobicContact CZ-CE2 4.44Å; F108-F142 AromaticContact CZ-CG 3.82Å; F108-F142 HydrophobicContact CZ-CG 3.82Å; F108-I147 HydrophobicContact CE1-CD1 4.03Å; F108-I147 HydrophobicContact CE2-CD1 4.06Å; F108-I147 HydrophobicContact CZ-CD1 3.5Å; F108-V150 HydrophobicContact CB-CG1 4Å; F108-V150 HydrophobicContact CD2-CG1 4.29Å; F108-V150 HydrophobicContact CD2-CG2 3.58Å; F108-V150 HydrophobicContact CE2-CG2 3.94Å; F108-V150 HydrophobicContact CG-CG1 4.27Å; F108-V150 HydrophobicContact CG-CG2 4.34Å
109D96.7Very high97.2Very high123 Ų12341 Ų4166%0.65821%0.213SC*.Hα-helixtrans-65.4-42.3178.3-73.2-23.9000111.4R107 S111 K112 D113R107-D109 PolarHBondContact O-N 2.9Å; D109-S111 PolarHBondContact O-N 2.89Å; D109-K112 PolarHBondContact O-N 2.76Å; D109-D113 WeakPolarHBondContact O-CB 3.47Å; D109-D113 PolarHBondContact O-N 3.3Å
110E97.4Very high97Very high73 Ų7348.3 Ų48.334%0.34124%0.24SC..Hα-helixtrans-60.8-44.6174.5-172.3-165.4159.500111.5L25 R107 K112 D113 A114L25-E110 HydrophobicContact CD1-CB 4.05Å; L25-E110 HydrophobicContact CD1-CG 3.95Å; L25-E110 HydrophobicContact CD2-CG 4.15Å; R107-E110 WeakPolarHBondContact CD-OE2 3.41Å; R107-E110 PolarHBondContact O-N 2.95Å; E110-K112 VanDerWaalsContact C-N 3.34Å; E110-K112 PolarHBondContact O-N 2.71Å; E110-D113 PolarHBondContact O-N 2.85Å; E110-A114 PolarHBondContact O-N 2.91Å
111S97.6Very high96.9Very high5 Ų550 Ų504%0.03525%0.25CC..Hα-helixtrans-65-41.7178.1-174.70000110.8Y98 R107 F108 D109 A114 F115Y98-S111 WeakPolarHBondContact CE1-OG 3.33Å; Y98-S111 PolarHBondContact OH-O 2.96Å; Y98-S111 PolarHBondContact OH-OG 2.79Å; Y98-S111 VanDerWaalsContact OH-OG 3.05Å; R107-S111 WeakPolarHBondContact O-CB 3.43Å; R107-S111 PolarHBondContact O-N 3.13Å; F108-S111 PolarHBondContact O-N 3.34Å; D109-S111 PolarHBondContact O-N 2.89Å; S111-A114 PolarHBondContact O-N 3.5Å; S111-F115 WeakPolarHBondContact O-CB 3.39Å; S111-F115 PolarHBondContact O-N 2.91Å
112K97Very high96.7Very high41 Ų4153.8 Ų53.818%0.17828%0.275CS..Hα-helixtrans-62.4-41.9175.5-174.3-173.9166.4-65.40111.5F108 D109 E110 F115 D116 F151 S154F108-K112 VanDerWaalsContact O-CB 3.28Å; F108-K112 WeakPolarHBondContact O-CB 3.26Å; F108-K112 PolarHBondContact O-N 3.38Å; D109-K112 PolarHBondContact O-N 2.76Å; E110-K112 VanDerWaalsContact C-N 3.34Å; E110-K112 PolarHBondContact O-N 2.71Å; K112-F115 WeakPolarHBondContact O-CB 3.5Å; K112-F115 PolarHBondContact O-N 3.03Å; K112-D116 IonicContact NZ-OD2 2.7Å; K112-D116 PolarHBondContact NZ-OD2 3.37Å; K112-D116 WeakPolarHBondContact O-CB 3.02Å; K112-D116 VanDerWaalsContact O-CG 3.25Å; K112-D116 PolarHBondContact O-N 2.75Å; K112-F151 HydrophobicContact CB-CE1 4.26Å; K112-F151 HydrophobicContact CG-CD1 4.47Å; K112-S154 WeakPolarHBondContact CE-OG 3.33Å
113D96.2Very high96.6Very high86 Ų8656.8 Ų56.846%0.4629%0.293SS..Hα-helixtrans-64.7-42.7176.9-79.7-10.6000112D109 E110 D116 K117D109-D113 WeakPolarHBondContact O-CB 3.47Å; D109-D113 PolarHBondContact O-N 3.3Å; E110-D113 PolarHBondContact O-N 2.85Å; D113-D116 PolarHBondContact O-N 3.31Å; D113-K117 WeakPolarHBondContact O-CB 3.43Å; D113-K117 VanDerWaalsContact O-CG 3.25Å; D113-K117 WeakPolarHBondContact O-CG 3.47Å; D113-K117 PolarHBondContact O-N 2.99Å
114A97.2Very high96.5Very high2 Ų255.5 Ų55.52%0.01728%0.282CS..Hα-helixtrans-63.3-41.8174.200000112L25 W86 E110 S111 M118L25-A114 HydrophobicContact CD2-CB 4Å; W86-A114 HydrophobicContact CH2-CB 4.17Å; W86-A114 HydrophobicContact CZ3-CB 4.25Å; E110-A114 PolarHBondContact O-N 2.91Å; S111-A114 PolarHBondContact O-N 3.5Å; A114-M118 WeakPolarHBondContact O-CB 3.41Å; A114-M118 PolarHBondContact O-N 3.47Å; A114-M118 VanDerWaalsContact O-N 3.08Å
115F97.4Very high96.3Very high0 Ų060.3 Ų60.30%030%0.303CS..Hα-helixtrans-61.3-47173.6179.3-88000111.7Y98 S111 K112 K117 M118 V119 L129 V131 F151 V158Y98-F115 AromaticContact CD1-CD2 3.73Å; Y98-F115 HydrophobicContact CD1-CD2 3.73Å; Y98-F115 HydrophobicContact CD2-CD2 4.05Å; Y98-F115 HydrophobicContact CE1-CB 4.06Å; Y98-F115 HydrophobicContact CE1-CD2 4.08Å; Y98-F115 HydrophobicContact CE2-CB 4.13Å; Y98-F115 HydrophobicContact CE2-CD2 4.37Å; Y98-F115 AromaticContact CG-CD2 3.72Å; Y98-F115 HydrophobicContact CG-CD2 3.72Å; Y98-F115 HydrophobicContact CG-CE2 4.38Å; S111-F115 WeakPolarHBondContact O-CB 3.39Å; S111-F115 PolarHBondContact O-N 2.91Å; K112-F115 WeakPolarHBondContact O-CB 3.5Å; K112-F115 PolarHBondContact O-N 3.03Å; F115-K117 PolarHBondContact O-N 3.19Å; F115-M118 HydrophobicContact CD2-CE 3.8Å; F115-M118 HydrophobicContact CE2-CE 3.97Å; F115-M118 HydrophobicContact CG-CE 4.41Å; F115-M118 PolarHBondContact O-N 3Å; F115-V119 HydrophobicContact CD1-CG1 4.18Å; F115-V119 HydrophobicContact CE1-CB 4.24Å; F115-V119 HydrophobicContact CE1-CG1 4.02Å; F115-V119 WeakPolarHBondContact O-CB 3.26Å; F115-V119 WeakPolarHBondContact O-CG1 3.42Å; F115-V119 PolarHBondContact O-N 3.21Å; F115-L129 HydrophobicContact CE2-CD2 3.8Å; F115-L129 HydrophobicContact CZ-CD2 3.72Å; F115-V131 HydrophobicContact CE2-CG2 3.76Å; F115-V131 HydrophobicContact CZ-CG2 4.36Å; F115-F151 HydrophobicContact CB-CD1 4.18Å; F115-F151 HydrophobicContact CB-CE1 3.68Å; F115-F151 AromaticContact CD1-CD1 3.87Å; F115-F151 HydrophobicContact CD1-CD1 3.87Å; F115-F151 HydrophobicContact CD1-CE1 4.25Å; F115-F151 HydrophobicContact CD2-CD1 4.25Å; F115-F151 HydrophobicContact CD2-CE1 4.16Å; F115-F151 HydrophobicContact CE1-CD1 4.31Å; F115-F151 AromaticContact CG-CD1 3.84Å; F115-F151 HydrophobicContact CG-CD1 3.84Å; F115-F151 AromaticContact CG-CE1 3.78Å; F115-F151 HydrophobicContact CG-CE1 3.78Å; F115-V158 HydrophobicContact CZ-CG2 4.29Å
116D96.8Very high96.2Very high17 Ų1758.5 Ų58.59%0.09129%0.293CS..Hα-helixtrans-62.2-42.1-179.8-77.3-6.5000111.2K112 D113 R120 S154 L157K112-D116 IonicContact NZ-OD2 2.7Å; K112-D116 PolarHBondContact NZ-OD2 3.37Å; K112-D116 WeakPolarHBondContact O-CB 3.02Å; K112-D116 VanDerWaalsContact O-CG 3.25Å; K112-D116 PolarHBondContact O-N 2.75Å; D113-D116 PolarHBondContact O-N 3.31Å; D116-R120 WeakPolarHBondContact O-CB 3.47Å; D116-R120 VanDerWaalsContact O-CD 3.26Å; D116-R120 WeakPolarHBondContact O-CD 3.41Å; D116-R120 WeakPolarHBondContact O-CG 3.28Å; D116-R120 PolarHBondContact O-N 3.24Å; D116-S154 WeakPolarHBondContact OD1-CB 3.13Å; D116-S154 PolarHBondContact OD1-OG 2.84Å; D116-S154 PolarHBondContact OD2-OG 3.09Å; D116-L157 HydrophobicContact CB-CD1 4.08Å; D116-L157 WeakPolarHBondContact OD1-CD1 3.4Å
117K95.7Very high96.2Very high134 Ų13451.3 Ų51.358%0.58326%0.255SS*.Hα-helixtrans-60.4-45.8174-73168.4-173.6171.10111.7D113 F115D113-K117 WeakPolarHBondContact O-CB 3.43Å; D113-K117 VanDerWaalsContact O-CG 3.25Å; D113-K117 WeakPolarHBondContact O-CG 3.47Å; D113-K117 PolarHBondContact O-N 2.99Å; F115-K117 PolarHBondContact O-N 3.19Å
118M96.3Very high96.2Very high2 Ų248.6 Ų48.61%0.0124%0.244CC..Hα-helixtrans-64.5-55.1178.8173.8-156.170.300111.8L23 W86 Y90 V96 Y98 A114 F115 R120 N121 L124 L129L23-M118 HydrophobicContact CB-SD 4.37Å; L23-M118 HydrophobicContact CD1-CG 3.97Å; L23-M118 HydrophobicContact CD1-SD 3.44Å; L23-M118 WeakPolarHBondContact CD1-SD 3.34Å; L23-M118 HydrophobicContact CG-SD 4.5Å; W86-M118 HydrophobicContact CE3-CB 4.41Å; W86-M118 HydrophobicContact CZ3-CB 4.47Å; Y90-M118 HydrophobicContact CE1-CG 4.37Å; V96-M118 HydrophobicContact CG1-CE 4.5Å; V96-M118 HydrophobicContact CG1-SD 3.84Å; Y98-M118 HydrophobicContact CD2-CE 3.98Å; Y98-M118 HydrophobicContact CD2-SD 3.82Å; Y98-M118 HydrophobicContact CE2-SD 4.49Å; Y98-M118 HydrophobicContact CG-CE 4.49Å; A114-M118 WeakPolarHBondContact O-CB 3.41Å; A114-M118 PolarHBondContact O-N 3.47Å; A114-M118 VanDerWaalsContact O-N 3.08Å; F115-M118 HydrophobicContact CD2-CE 3.8Å; F115-M118 HydrophobicContact CE2-CE 3.97Å; F115-M118 HydrophobicContact CG-CE 4.41Å; F115-M118 PolarHBondContact O-N 3Å; M118-R120 VanDerWaalsContact C-N 3.26Å; M118-R120 PolarHBondContact O-N 3.33Å; M118-N121 VanDerWaalsContact O-CB 3.27Å; M118-N121 WeakPolarHBondContact O-CB 3.35Å; M118-N121 PolarHBondContact O-N 2.88Å; M118-L124 HydrophobicContact CG-CD1 3.69Å; M118-L129 HydrophobicContact CE-CD1 4.08Å; M118-L129 HydrophobicContact CE-CD2 4.5Å
119V95.6Very high96.3Very high3 Ų348 Ų482%0.01824%0.242CC..Hα-helixtrans-67.6-26.1-170.673.80000113.1F115 N121 L129 L157 V158 R161F115-V119 HydrophobicContact CD1-CG1 4.18Å; F115-V119 HydrophobicContact CE1-CB 4.24Å; F115-V119 HydrophobicContact CE1-CG1 4.02Å; F115-V119 WeakPolarHBondContact O-CB 3.26Å; F115-V119 WeakPolarHBondContact O-CG1 3.42Å; F115-V119 PolarHBondContact O-N 3.21Å; V119-N121 PolarHBondContact O-N 3.05Å; V119-L129 HydrophobicContact CG2-CD2 4.33Å; V119-L157 HydrophobicContact CG1-CB 3.58Å; V119-L157 HydrophobicContact CG1-CD1 4.1Å; V119-V158 HydrophobicContact CG2-CB 4.45Å; V119-V158 HydrophobicContact CG2-CG2 4.04Å; V119-R161 PolarHBondContact O-NH1 3.28Å; V119-R161 PolarHBondContact O-NH2 2.74Å
120R95.3Very high96.4Very high156 Ų15642.2 Ų42.259%0.58921%0.211SC*.THydrogen-bonded Turntrans-70.8-14.9173.8-75172-174.3-109.85.2113.5D116 M118 P122 L157D116-R120 WeakPolarHBondContact O-CB 3.47Å; D116-R120 VanDerWaalsContact O-CD 3.26Å; D116-R120 WeakPolarHBondContact O-CD 3.41Å; D116-R120 WeakPolarHBondContact O-CG 3.28Å; D116-R120 PolarHBondContact O-N 3.24Å; M118-R120 VanDerWaalsContact C-N 3.26Å; M118-R120 PolarHBondContact O-N 3.33Å; R120-P122 WeakPolarHBondContact O-CD 3.46Å; R120-L157 HydrophobicContact CG-CD1 4.12Å; R120-L157 HydrophobicContact CG-CD2 4.28Å
121N95.8Very high96.4Very high37 Ų3738.7 Ų38.720%0.19820%0.195CC..  trans-68.3121.1-179.2-166.9-51.4000110.1Y90 M118 V119 V123 L124 R161Y90-N121 HydrophobicContact CD2-CB 3.87Å; Y90-N121 WeakPolarHBondContact CD2-ND2 3.33Å; Y90-N121 HydrophobicContact CE2-CB 3.75Å; M118-N121 VanDerWaalsContact O-CB 3.27Å; M118-N121 WeakPolarHBondContact O-CB 3.35Å; M118-N121 PolarHBondContact O-N 2.88Å; V119-N121 PolarHBondContact O-N 3.05Å; N121-V123 PolarHBondContact O-N 3.01Å; N121-V123 WeakPolarHBondContact OD1-CB 3.28Å; N121-V123 WeakPolarHBondContact OD1-CG2 3.26Å; N121-V123 PolarHBondContact OD1-N 3.46Å; N121-L124 PolarHBondContact O-N 3.22Å; N121-R161 PolarHBondContact O-NH2 2.59Å
122P94.6Very high96.5Very high97 Ų9738.5 Ų38.563%0.6319%0.193SC*.G310 helixtrans-64-24.3-17826.3-35000112.4R120 L124 E125R120-P122 WeakPolarHBondContact O-CD 3.46Å; P122-L124 PolarHBondContact O-N 3.23Å; P122-L124 VanDerWaalsContact O-N 3.17Å; P122-E125 WeakPolarHBondContact O-CB 3.39Å; P122-E125 PolarHBondContact O-N 3.39Å
123V95.7Very high96.5Very high62 Ų6236.5 Ų36.538%0.37619%0.185SC..G310 helixtrans-65.9-15.4174.7-175.20000111.7A91 N121 R194A91-V123 HydrophobicContact CB-CG1 3.97Å; N121-V123 PolarHBondContact O-N 3.01Å; N121-V123 WeakPolarHBondContact OD1-CB 3.28Å; N121-V123 WeakPolarHBondContact OD1-CG2 3.26Å; N121-V123 PolarHBondContact OD1-N 3.46Å; V123-R194 PolarHBondContact O-NH1 2.55Å; V123-R194 PolarHBondContact O-NH2 3.05Å
124L95.9Very high96.6Very high5 Ų532.6 Ų32.63%0.02616%0.163CC..G310 helixtrans-960.4172.3-69.1179000112.9Y90 S93 V96 M118 N121 P122 G126 V127 R161Y90-L124 HydrophobicContact CD1-CD1 3.92Å; Y90-L124 HydrophobicContact CD1-CD2 3.92Å; Y90-L124 HydrophobicContact CD1-CG 4.09Å; Y90-L124 HydrophobicContact CD2-CD1 3.97Å; Y90-L124 HydrophobicContact CD2-CD2 4.45Å; Y90-L124 HydrophobicContact CD2-CG 3.88Å; Y90-L124 HydrophobicContact CE1-CD1 3.93Å; Y90-L124 HydrophobicContact CE2-CD1 4Å; Y90-L124 HydrophobicContact CE2-CG 4.41Å; Y90-L124 HydrophobicContact CG-CD1 3.95Å; Y90-L124 HydrophobicContact CG-CD2 3.78Å; Y90-L124 HydrophobicContact CG-CG 3.72Å; S93-L124 WeakPolarHBondContact OG-CD2 3.32Å; V96-L124 HydrophobicContact CG2-CD1 4.37Å; V96-L124 HydrophobicContact CG2-CD2 3.93Å; M118-L124 HydrophobicContact CG-CD1 3.69Å; N121-L124 PolarHBondContact O-N 3.22Å; P122-L124 PolarHBondContact O-N 3.23Å; P122-L124 VanDerWaalsContact O-N 3.17Å; L124-G126 PolarHBondContact O-N 2.92Å; L124-V127 HydrophobicContact CD2-CB 4.49Å; L124-V127 HydrophobicContact CD2-CG2 4.24Å; L124-V127 VanDerWaalsContact O-CB 3.23Å; L124-V127 WeakPolarHBondContact O-CB 3.29Å; L124-V127 VanDerWaalsContact O-CG2 3.29Å; L124-V127 WeakPolarHBondContact O-CG2 3.42Å; L124-V127 PolarHBondContact O-N 2.8Å; L124-R161 VanDerWaalsContact C-NH2 3.27Å; L124-R161 PolarHBondContact O-NE 2.9Å; L124-R161 PolarHBondContact O-NH2 3.47Å
125E93.5Very high96.7Very high141 Ų14135.2 Ų35.266%0.65917%0.174SC*.THydrogen-bonded Turntrans-54.3134.2-179.7-168.5171.8-170.300111.6P122 V127 R161P122-E125 WeakPolarHBondContact O-CB 3.39Å; P122-E125 PolarHBondContact O-N 3.39Å; E125-V127 PolarHBondContact O-N 2.95Å; E125-V127 VanDerWaalsContact O-N 3.15Å; E125-R161 VanDerWaalsContact N-NH2 3.19Å
126G94.2Very high96.7Very high17 Ų1738 Ų3818%0.17519%0.188CC..THydrogen-bonded Turntrans72.1-6.4-175.900000116L124 P128 N190L124-G126 PolarHBondContact O-N 2.92Å; G126-P128 WeakPolarHBondContact O-CD 3.38Å; G126-N190 PolarHBondContact O-ND2 3.32Å
127V97.1Very high96.7Very high2 Ų240.1 Ų40.11%0.01220%0.199CC..  trans-72.7127.2178.4-177.60000110.6V96 L124 E125 R161V96-V127 HydrophobicContact CG2-CG1 4.01Å; L124-V127 HydrophobicContact CD2-CB 4.49Å; L124-V127 HydrophobicContact CD2-CG2 4.24Å; L124-V127 VanDerWaalsContact O-CB 3.23Å; L124-V127 WeakPolarHBondContact O-CB 3.29Å; L124-V127 VanDerWaalsContact O-CG2 3.29Å; L124-V127 WeakPolarHBondContact O-CG2 3.42Å; L124-V127 PolarHBondContact O-N 2.8Å; E125-V127 PolarHBondContact O-N 2.95Å; E125-V127 VanDerWaalsContact O-N 3.15Å; V127-R161 WeakPolarHBondContact O-CD 3.44Å; V127-R161 WeakPolarHBondContact O-CG 3.41Å
128P97.9Very high96.8Very high1 Ų136.3 Ų36.31%0.00619%0.187CC..  trans-55.4136.1173-27.534.3000113N94 V96 G126 Q162 I183 K186 N190N94-P128 WeakPolarHBondContact O-CD 3.44Å; V96-P128 PolarHBondContact N-O 3.47Å; G126-P128 WeakPolarHBondContact O-CD 3.38Å; P128-Q162 WeakPolarHBondContact CA-O 3.34Å; P128-I183 HydrophobicContact CB-CD1 4.25Å; P128-K186 HydrophobicContact CB-CB 3.62Å; P128-K186 HydrophobicContact CG-CB 3.79Å; P128-N190 WeakPolarHBondContact CD-ND2 3.37Å; P128-N190 HydrophobicContact CG-CB 4.02Å
129L98.2Very high96.8Very high5 Ų545.9 Ų45.93%0.02623%0.232CC..EExtended strand (participates in β ladder)trans-124.7121.3-176.1178.459.5000110.8V96 F115 M118 V119 V131 V158 Q162 C163 T164 W182V96-L129 HydrophobicContact CB-CD1 3.88Å; V96-L129 HydrophobicContact CG1-CD1 3.73Å; V96-L129 CarbonylContact O-C 3.5Å; V96-L129 WeakPolarHBondContact O-CA 3.35Å; F115-L129 HydrophobicContact CE2-CD2 3.8Å; F115-L129 HydrophobicContact CZ-CD2 3.72Å; M118-L129 HydrophobicContact CE-CD1 4.08Å; M118-L129 HydrophobicContact CE-CD2 4.5Å; V119-L129 HydrophobicContact CG2-CD2 4.33Å; L129-V131 HydrophobicContact CG-CG2 4.29Å; L129-V158 HydrophobicContact CD2-CG2 4.29Å; L129-Q162 PolarHBondContact N-O 3.37Å; L129-C163 HydrophobicContact CB-CB 4.45Å; L129-C163 WeakPolarHBondContact O-CA 3.38Å; L129-T164 PolarHBondContact O-N 3.3Å; L129-W182 WeakPolarHBondContact O-CH2 3.41Å
130L98.3Very high96.8Very high0 Ų049.8 Ų49.80%026%0.259CS..EExtended strand (participates in β ladder)trans-110.9117.9173.6170.961000108.8V96 I97 Y98 L132 T164 H166 S179 W182 I183V96-L130 PolarHBondContact O-N 3.25Å; I97-L130 CarbonylContact C-O 3.57Å; I97-L130 VanDerWaalsContact CA-O 3.26Å; I97-L130 WeakPolarHBondContact CA-O 3.4Å; I97-L130 HydrophobicContact CD1-CD2 4.23Å; I97-L130 HydrophobicContact CG1-CB 4.27Å; I97-L130 HydrophobicContact CG1-CD2 4.09Å; Y98-L130 PolarHBondContact N-O 3.37Å; L130-L132 HydrophobicContact CD1-CD2 3.88Å; L130-L132 HydrophobicContact CD2-CD2 3.94Å; L130-L132 HydrophobicContact CD2-CG 4.49Å; L130-L132 HydrophobicContact CG-CD2 3.75Å; L130-L132 HydrophobicContact CG-CG 4.22Å; L130-T164 HydrophobicContact CD1-CG2 3.47Å; L130-T164 VanDerWaalsContact CD1-CG2 3.47Å; L130-H166 HydrophobicContact CD1-CB 4.26Å; L130-S179 WeakPolarHBondContact CD2-O 3.49Å; L130-W182 HydrophobicContact CB-CE3 3.95Å; L130-W182 HydrophobicContact CB-CZ3 3.74Å; L130-W182 HydrophobicContact CD1-CE3 4.2Å; L130-W182 HydrophobicContact CD2-CE3 4.46Å; L130-W182 HydrophobicContact CG-CE3 4.43Å; L130-I183 HydrophobicContact CB-CD1 4.33Å; L130-I183 HydrophobicContact CD2-CB 4.25Å
131V98.1Very high96.9Very high0 Ų042.9 Ų42.90%024%0.235CC..EExtended strand (participates in β ladder)trans-96.8128.1173.4-172.80000109.2Y98 V100 F115 L129 T164 F165 H166Y98-V131 HydrophobicContact CD1-CG1 4.48Å; Y98-V131 CarbonylContact O-C 3.56Å; Y98-V131 WeakPolarHBondContact O-CA 3.48Å; V100-V131 HydrophobicContact CG2-CG1 3.96Å; F115-V131 HydrophobicContact CE2-CG2 3.76Å; F115-V131 HydrophobicContact CZ-CG2 4.36Å; L129-V131 HydrophobicContact CG-CG2 4.29Å; V131-T164 PolarHBondContact N-O 3.28Å; V131-F165 HydrophobicContact CB-CD1 3.55Å; V131-F165 HydrophobicContact CB-CD2 4.3Å; V131-F165 HydrophobicContact CB-CE1 3.56Å; V131-F165 HydrophobicContact CB-CE2 4.28Å; V131-F165 HydrophobicContact CB-CG 3.93Å; V131-F165 HydrophobicContact CB-CZ 3.93Å; V131-F165 HydrophobicContact CG1-CD1 3.62Å; V131-F165 HydrophobicContact CG1-CE1 3.44Å; V131-F165 VanDerWaalsContact CG1-CE1 3.44Å; V131-F165 HydrophobicContact CG1-CG 4.49Å; V131-F165 HydrophobicContact CG1-CZ 4.17Å; V131-F165 HydrophobicContact CG2-CD1 4.34Å; V131-F165 HydrophobicContact CG2-CE1 3.94Å; V131-F165 HydrophobicContact CG2-CE2 4.11Å; V131-F165 HydrophobicContact CG2-CZ 3.79Å; V131-F165 CarbonylContact O-C 3.58Å; V131-F165 VanDerWaalsContact O-CA 3.27Å; V131-F165 WeakPolarHBondContact O-CA 3.43Å; V131-H166 PolarHBondContact O-N 3.01Å
132L98.6Very high97Very high0 Ų044.4 Ų44.40%024%0.24CC..EExtended strand (participates in β ladder)trans-108.2115.1-179.9-61.9-175.8000109.8Y33 I97 Y98 V99 V100 L130 N134 H166 V168Y33-L132 HydrophobicContact CD1-CD1 4.26Å; Y33-L132 HydrophobicContact CD2-CD1 3.58Å; Y33-L132 HydrophobicContact CE1-CD1 3.97Å; Y33-L132 HydrophobicContact CE2-CD1 3.24Å; Y33-L132 HydrophobicContact CG-CD1 4.09Å; Y33-L132 VanDerWaalsContact CZ-CD1 3.46Å; I97-L132 HydrophobicContact CG2-CD1 3.44Å; I97-L132 VanDerWaalsContact CG2-CD1 3.44Å; I97-L132 HydrophobicContact CG2-CG 3.78Å; Y98-L132 PolarHBondContact O-N 2.94Å; V99-L132 HydrophobicContact CG1-CB 4.46Å; V99-L132 HydrophobicContact CG2-CD1 4.31Å; V100-L132 PolarHBondContact N-O 3.03Å; L130-L132 HydrophobicContact CD1-CD2 3.88Å; L130-L132 HydrophobicContact CD2-CD2 3.94Å; L130-L132 HydrophobicContact CD2-CG 4.49Å; L130-L132 HydrophobicContact CG-CD2 3.75Å; L130-L132 HydrophobicContact CG-CG 4.22Å; L132-N134 PolarHBondContact O-N 2.86Å; L132-H166 WeakPolarHBondContact CA-O 3.35Å; L132-H166 HydrophobicContact CD2-CB 3.85Å; L132-V168 HydrophobicContact CB-CG2 4.06Å; L132-V168 HydrophobicContact CD1-CG2 4.36Å; L132-V168 HydrophobicContact CD2-CG1 3.95Å
133A98.5Very high97Very high0 Ų045.6 Ų45.60%024%0.237CC..EExtended strand (participates in β ladder)trans-78.292.5162.500000107.2S102 Q136 L144 I147 H166 G167 V168S102-A133 WeakPolarHBondContact OG-CA 3.35Å; S102-A133 WeakPolarHBondContact OG-CB 3.25Å; A133-Q136 VanDerWaalsContact O-CG 3.28Å; A133-Q136 WeakPolarHBondContact O-CG 3.42Å; A133-L144 HydrophobicContact CB-CD1 3.84Å; A133-I147 HydrophobicContact CB-CB 4.15Å; A133-I147 HydrophobicContact CB-CG1 3.88Å; A133-I147 HydrophobicContact CB-CG2 4.12Å; A133-H166 PolarHBondContact N-O 3.47Å; A133-G167 WeakPolarHBondContact O-CA 3.46Å; A133-V168 PolarHBondContact O-N 3.27Å
134N98.7Very high97Very high3 Ų345.1 Ų45.12%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-87.5165.9-176.6-170.530.3000111.7A28 V99 V100 S102 L132 Q136 V168 A170A28-N134 PolarHBondContact O-ND2 3.43Å; V99-N134 HydrophobicContact CG1-CB 3.68Å; V100-N134 WeakPolarHBondContact O-CB 3.39Å; V100-N134 PolarHBondContact O-N 3.26Å; S102-N134 WeakPolarHBondContact CB-O 3.32Å; S102-N134 PolarHBondContact N-O 3.22Å; S102-N134 PolarHBondContact OG-N 2.85Å; S102-N134 PolarHBondContact OG-O 3.08Å; L132-N134 PolarHBondContact O-N 2.86Å; N134-Q136 VanDerWaalsContact C-N 3.33Å; N134-V168 CarbonylContact C-O 3.59Å; N134-V168 WeakPolarHBondContact CA-O 3.48Å; N134-V168 HydrophobicContact CB-CG2 3.93Å; N134-V168 PolarHBondContact OD1-O 3.26Å; N134-A170 WeakPolarHBondContact OD1-CB 3.21Å; N134-A170 PolarHBondContact OD1-N 3.4Å
135K98.2Very high97Very high57 Ų5748.4 Ų48.425%0.24826%0.255CS..  trans65.532.3-178.3-45.3-164.8-164.7172.20113.6G27 D101 D137 V138 A141 V168G27-K135 VanDerWaalsContact O-CE 3.28Å; G27-K135 WeakPolarHBondContact O-CE 3.37Å; G27-K135 PolarHBondContact O-NZ 2.8Å; D101-K135 VanDerWaalsContact OD1-CD 3.25Å; D101-K135 WeakPolarHBondContact OD1-CD 3.22Å; D101-K135 IonicContact OD1-NZ 2.76Å; D101-K135 WeakPolarHBondContact OD2-CE 3.27Å; D101-K135 IonicContact OD2-NZ 2.74Å; D101-K135 PolarHBondContact OD2-NZ 3.47Å; K135-D137 WeakPolarHBondContact CA-OD1 3.47Å; K135-D137 PolarHBondContact O-N 2.82Å; K135-D137 VanDerWaalsContact O-N 3.07Å; K135-V138 HydrophobicContact CB-CG2 4.01Å; K135-V138 WeakPolarHBondContact O-CB 3.26Å; K135-V138 PolarHBondContact O-N 2.81Å; K135-A141 VanDerWaalsContact O-CB 3.27Å; K135-A141 WeakPolarHBondContact O-CB 3.34Å; K135-V168 PolarHBondContact N-O 3.48Å; K135-V168 VanDerWaalsContact N-O 3.13Å
136Q98.1Very high97.1Very high59 Ų5944.9 Ų44.928%0.27624%0.239SC..THydrogen-bonded Turntrans-64.6-7.8175.1-65.9-70.9-68.100113.3S102 A133 N134 V138 F142 V168S102-Q136 PolarHBondContact OG-NE2 3.44Å; A133-Q136 VanDerWaalsContact O-CG 3.28Å; A133-Q136 WeakPolarHBondContact O-CG 3.42Å; N134-Q136 VanDerWaalsContact C-N 3.33Å; Q136-V138 VanDerWaalsContact C-N 3.34Å; Q136-F142 PolarHBondContact NE2-O 3.23Å; Q136-V168 PolarHBondContact N-O 2.83Å; Q136-V168 VanDerWaalsContact N-O 3.15Å
137D97.3Very high97.2Very high61 Ų6144.1 Ų44.133%0.32623%0.231SC..THydrogen-bonded Turntrans-77-16169.855.8-75000113.9K135 S169 N172K135-D137 WeakPolarHBondContact CA-OD1 3.47Å; K135-D137 PolarHBondContact O-N 2.82Å; K135-D137 VanDerWaalsContact O-N 3.07Å; D137-S169 WeakPolarHBondContact OD1-CB 3.5Å; D137-S169 PolarHBondContact OD1-OG 2.81Å; D137-N172 WeakPolarHBondContact CB-ND2 3.45Å
138V97.4Very high97.1Very high54 Ų5446.6 Ų46.633%0.32724%0.244SC..SBendtrans-82.6131.4179.7178.90000110A103 K135 Q136 S140 A141A103-V138 HydrophobicContact CB-CB 4.07Å; A103-V138 HydrophobicContact CB-CG1 3.84Å; A103-V138 HydrophobicContact CB-CG2 4.45Å; K135-V138 HydrophobicContact CB-CG2 4.01Å; K135-V138 WeakPolarHBondContact O-CB 3.26Å; K135-V138 PolarHBondContact O-N 2.81Å; Q136-V138 VanDerWaalsContact C-N 3.34Å; V138-S140 VanDerWaalsContact C-N 3.27Å; V138-S140 PolarHBondContact O-N 2.81Å; V138-A141 HydrophobicContact CB-CB 4.24Å; V138-A141 WeakPolarHBondContact O-CB 3.11Å; V138-A141 PolarHBondContact O-N 3.24Å
139Q95.4Very high96.9Very high204 Ų20453.9 Ų53.995%0.95328%0.276SS*.THydrogen-bonded Turntrans-60-33.3-175.5-173.1178.19.200114A141Q139-A141 VanDerWaalsContact C-N 3.3Å
140S95Very high96.7Very high84 Ų8455.3 Ų55.359%0.58729%0.285SS*.THydrogen-bonded Turntrans-86.22.7177.560.60000113.7V138 F142V138-S140 VanDerWaalsContact C-N 3.27Å; V138-S140 PolarHBondContact O-N 2.81Å; S140-F142 PolarHBondContact O-N 3.08Å
141A97.5Very high96.6Very high12 Ų1255.3 Ų55.310%0.09929%0.285CS..PPolyproline II helixtrans-66.9131.1-179.800000111.2S102 A103 K135 V138 Q139 H143S102-A141 CarbonylContact O-C 3.58Å; S102-A141 WeakPolarHBondContact O-CA 3.23Å; A103-A141 HydrophobicContact CB-CB 4.36Å; K135-A141 VanDerWaalsContact O-CB 3.27Å; K135-A141 WeakPolarHBondContact O-CB 3.34Å; V138-A141 HydrophobicContact CB-CB 4.24Å; V138-A141 WeakPolarHBondContact O-CB 3.11Å; V138-A141 PolarHBondContact O-N 3.24Å; Q139-A141 VanDerWaalsContact C-N 3.3Å; A141-H143 PolarHBondContact O-N 2.97Å
142F97.8Very high96.2Very high68 Ų6863.1 Ų63.130%0.29832%0.315SS..PPolyproline II helixtrans-60.5134.1168.9-81.9-116.8000109.3S102 F108 Q136 S140 E146 I147S102-F142 WeakPolarHBondContact CB-O 3.33Å; S102-F142 PolarHBondContact O-N 3.14Å; F108-F142 HydrophobicContact CE2-CB 4.35Å; F108-F142 AromaticContact CE2-CD1 3.75Å; F108-F142 HydrophobicContact CE2-CD1 3.75Å; F108-F142 AromaticContact CE2-CD2 3.98Å; F108-F142 HydrophobicContact CE2-CD2 3.98Å; F108-F142 HydrophobicContact CE2-CE1 4Å; F108-F142 HydrophobicContact CE2-CE2 4.21Å; F108-F142 AromaticContact CE2-CG 3.76Å; F108-F142 HydrophobicContact CE2-CG 3.76Å; F108-F142 HydrophobicContact CE2-CZ 4.22Å; F108-F142 HydrophobicContact CZ-CB 4.07Å; F108-F142 HydrophobicContact CZ-CD1 4.29Å; F108-F142 AromaticContact CZ-CD2 3.89Å; F108-F142 HydrophobicContact CZ-CD2 3.89Å; F108-F142 HydrophobicContact CZ-CE2 4.44Å; F108-F142 AromaticContact CZ-CG 3.82Å; F108-F142 HydrophobicContact CZ-CG 3.82Å; Q136-F142 PolarHBondContact NE2-O 3.23Å; S140-F142 PolarHBondContact O-N 3.08Å; F142-E146 HydrophobicContact CB-CB 4.17Å; F142-E146 HydrophobicContact CD1-CB 3.69Å; F142-E146 HydrophobicContact CD1-CG 4.45Å; F142-E146 HydrophobicContact CG-CB 4.41Å; F142-I147 HydrophobicContact CB-CD1 3.71Å; F142-I147 HydrophobicContact CB-CG1 4.17Å
143H96.3Very high95.8Very high122 Ų12267.4 Ų67.457%0.56534%0.338SS*.PPolyproline II helixtrans-67.3159.7177.3-65.2-63.2000111A141 S145 E146 I147A141-H143 PolarHBondContact O-N 2.97Å; H143-S145 PolarHBondContact O-N 2.97Å; H143-S145 VanDerWaalsContact O-N 3.08Å; H143-E146 IonicContact CD2-OE2 3.43Å; H143-E146 PolarHBondContact CD2-OE2 3.22Å; H143-E146 IonicContact CG-OE2 3.76Å; H143-E146 PolarHBondContact N-OE2 3.3Å; H143-E146 WeakPolarHBondContact O-CA 3.27Å; H143-E146 WeakPolarHBondContact O-CB 3.41Å; H143-E146 PolarHBondContact O-N 2.69Å; H143-I147 PolarHBondContact O-N 3.19Å
144L95.3Very high95.5Very high53 Ų5367.4 Ų67.428%0.27734%0.338SS..Hα-helixtrans-50.4-38.3177.2-174.362.8000113.2A133 E146 I147 N148 F165A133-L144 HydrophobicContact CB-CD1 3.84Å; L144-E146 VanDerWaalsContact C-N 3.27Å; L144-E146 PolarHBondContact O-N 2.97Å; L144-I147 PolarHBondContact O-N 2.85Å; L144-N148 WeakPolarHBondContact O-CB 3.33Å; L144-N148 PolarHBondContact O-N 3.3Å; L144-N148 PolarHBondContact O-ND2 2.99Å; L144-N148 VanDerWaalsContact O-ND2 3.11Å; L144-F165 HydrophobicContact CD1-CB 3.84Å
145S95.4Very high95Very high73 Ų7370.4 Ų70.451%0.5135%0.354SS..Hα-helixtrans-65.5-28.2177.956.30000113.3H143 K149H143-S145 PolarHBondContact O-N 2.97Å; H143-S145 VanDerWaalsContact O-N 3.08Å; S145-K149 WeakPolarHBondContact O-CG 3.44Å
146E96.3Very high94.6Very high68 Ų6876.4 Ų76.432%0.31838%0.375SS..Hα-helixtrans-84.8-41.5178.3-55.4172.9101.200110.7F142 H143 L144 N148 K149 V150F142-E146 HydrophobicContact CB-CB 4.17Å; F142-E146 HydrophobicContact CD1-CB 3.69Å; F142-E146 HydrophobicContact CD1-CG 4.45Å; F142-E146 HydrophobicContact CG-CB 4.41Å; H143-E146 IonicContact CD2-OE2 3.43Å; H143-E146 PolarHBondContact CD2-OE2 3.22Å; H143-E146 IonicContact CG-OE2 3.76Å; H143-E146 PolarHBondContact N-OE2 3.3Å; H143-E146 WeakPolarHBondContact O-CA 3.27Å; H143-E146 WeakPolarHBondContact O-CB 3.41Å; H143-E146 PolarHBondContact O-N 2.69Å; L144-E146 VanDerWaalsContact C-N 3.27Å; L144-E146 PolarHBondContact O-N 2.97Å; E146-N148 VanDerWaalsContact C-N 3.28Å; E146-N148 PolarHBondContact O-N 2.87Å; E146-K149 WeakPolarHBondContact O-CA 3.44Å; E146-K149 WeakPolarHBondContact O-CB 3.49Å; E146-K149 PolarHBondContact O-N 3.15Å; E146-V150 PolarHBondContact O-N 3.33Å; E146-V150 VanDerWaalsContact O-N 3.15Å
147I96.4Very high94.3Very high0 Ų075.3 Ų75.30%037%0.371CS..Hα-helixtrans-58.2-42.4171.1-59.4-58.5000110.7V100 F108 A133 F142 H143 L144 K149 V150 F151V100-I147 HydrophobicContact CG1-CD1 4.4Å; V100-I147 HydrophobicContact CG1-CG2 4.4Å; F108-I147 HydrophobicContact CE1-CD1 4.03Å; F108-I147 HydrophobicContact CE2-CD1 4.06Å; F108-I147 HydrophobicContact CZ-CD1 3.5Å; A133-I147 HydrophobicContact CB-CB 4.15Å; A133-I147 HydrophobicContact CB-CG1 3.88Å; A133-I147 HydrophobicContact CB-CG2 4.12Å; F142-I147 HydrophobicContact CB-CD1 3.71Å; F142-I147 HydrophobicContact CB-CG1 4.17Å; H143-I147 PolarHBondContact O-N 3.19Å; L144-I147 PolarHBondContact O-N 2.85Å; I147-K149 PolarHBondContact O-N 3.13Å; I147-V150 WeakPolarHBondContact O-CB 3.22Å; I147-V150 PolarHBondContact O-N 2.81Å; I147-V150 VanDerWaalsContact O-N 3.1Å; I147-F151 HydrophobicContact CG2-CD2 4.07Å; I147-F151 HydrophobicContact CG2-CE2 4.08Å; I147-F151 WeakPolarHBondContact O-CD2 3.36Å; I147-F151 PolarHBondContact O-N 2.82Å
148N93.9Very high93.9Very high55 Ų5572.8 Ų72.829%0.29436%0.357SS..Hα-helixtrans-55.7-34173.4-78.8-32.1000113.1L144 E146 Y152 F165L144-N148 WeakPolarHBondContact O-CB 3.33Å; L144-N148 PolarHBondContact O-N 3.3Å; L144-N148 PolarHBondContact O-ND2 2.99Å; L144-N148 VanDerWaalsContact O-ND2 3.11Å; E146-N148 VanDerWaalsContact C-N 3.28Å; E146-N148 PolarHBondContact O-N 2.87Å; N148-Y152 PolarHBondContact O-N 2.86Å; N148-F165 WeakPolarHBondContact OD1-CB 3.46Å; N148-F165 WeakPolarHBondContact OD1-CD1 3.44Å; N148-F165 WeakPolarHBondContact OD1-CD2 3.33Å; N148-F165 WeakPolarHBondContact OD1-CG 3.32Å
149K94.7Very high93.5Very high154 Ų15472.7 Ų72.767%0.6737%0.368SS*.Hα-helixtrans-72.2-39.2177.3-68.5171.3-174.6174.70111.9S145 E146 I147 F151 Y152S145-K149 WeakPolarHBondContact O-CG 3.44Å; E146-K149 WeakPolarHBondContact O-CA 3.44Å; E146-K149 WeakPolarHBondContact O-CB 3.49Å; E146-K149 PolarHBondContact O-N 3.15Å; I147-K149 PolarHBondContact O-N 3.13Å; K149-F151 VanDerWaalsContact C-N 3.26Å; K149-F151 PolarHBondContact O-N 3.48Å; K149-Y152 VanDerWaalsContact O-CB 3.27Å; K149-Y152 WeakPolarHBondContact O-CB 3.46Å; K149-Y152 PolarHBondContact O-N 2.58Å; K149-Y152 VanDerWaalsContact O-N 3.15Å
150V94.1Very high93.1Very high35 Ų3572.2 Ų72.221%0.21237%0.365CS..Hα-helixtrans-55.8-43.6176.8176.40000110.8F108 E146 I147F108-V150 HydrophobicContact CB-CG1 4Å; F108-V150 HydrophobicContact CD2-CG1 4.29Å; F108-V150 HydrophobicContact CD2-CG2 3.58Å; F108-V150 HydrophobicContact CE2-CG2 3.94Å; F108-V150 HydrophobicContact CG-CG1 4.27Å; F108-V150 HydrophobicContact CG-CG2 4.34Å; E146-V150 PolarHBondContact O-N 3.33Å; E146-V150 VanDerWaalsContact O-N 3.15Å; I147-V150 WeakPolarHBondContact O-CB 3.22Å; I147-V150 PolarHBondContact O-N 2.81Å; I147-V150 VanDerWaalsContact O-N 3.1Å
151F94.7Very high93Very high0 Ų069.6 Ų69.60%034%0.343CS..THydrogen-bonded Turntrans-92.65.4-178.6-66.8-89.6000114.1Y98 V100 K112 F115 I147 K149 D153 S154 L155 F165Y98-F151 HydrophobicContact CE1-CE1 4.41Å; Y98-F151 HydrophobicContact CE1-CZ 4.4Å; V100-F151 HydrophobicContact CB-CE2 4.5Å; V100-F151 HydrophobicContact CG1-CE2 4.09Å; V100-F151 HydrophobicContact CG1-CZ 4.35Å; V100-F151 HydrophobicContact CG2-CE2 3.64Å; V100-F151 HydrophobicContact CG2-CZ 3.59Å; K112-F151 HydrophobicContact CB-CE1 4.26Å; K112-F151 HydrophobicContact CG-CD1 4.47Å; F115-F151 HydrophobicContact CB-CD1 4.18Å; F115-F151 HydrophobicContact CB-CE1 3.68Å; F115-F151 AromaticContact CD1-CD1 3.87Å; F115-F151 HydrophobicContact CD1-CD1 3.87Å; F115-F151 HydrophobicContact CD1-CE1 4.25Å; F115-F151 HydrophobicContact CD2-CD1 4.25Å; F115-F151 HydrophobicContact CD2-CE1 4.16Å; F115-F151 HydrophobicContact CE1-CD1 4.31Å; F115-F151 AromaticContact CG-CD1 3.84Å; F115-F151 HydrophobicContact CG-CD1 3.84Å; F115-F151 AromaticContact CG-CE1 3.78Å; F115-F151 HydrophobicContact CG-CE1 3.78Å; I147-F151 HydrophobicContact CG2-CD2 4.07Å; I147-F151 HydrophobicContact CG2-CE2 4.08Å; I147-F151 WeakPolarHBondContact O-CD2 3.36Å; I147-F151 PolarHBondContact O-N 2.82Å; K149-F151 VanDerWaalsContact C-N 3.26Å; K149-F151 PolarHBondContact O-N 3.48Å; F151-D153 PolarHBondContact O-N 3Å; F151-S154 WeakPolarHBondContact O-CA 3.43Å; F151-S154 VanDerWaalsContact O-CB 3.27Å; F151-S154 WeakPolarHBondContact O-CB 3.16Å; F151-S154 PolarHBondContact O-N 3.07Å; F151-L155 WeakPolarHBondContact O-CG 3.39Å; F151-L155 PolarHBondContact O-N 2.95Å; F151-L155 VanDerWaalsContact O-N 3.11Å; F151-F165 HydrophobicContact CB-CE1 4.1Å; F151-F165 HydrophobicContact CB-CZ 3.97Å; F151-F165 HydrophobicContact CD2-CE1 4.28Å; F151-F165 HydrophobicContact CG-CE1 4.33Å
152Y91.4Very high92.8Very high164 Ų16473.2 Ų73.264%0.64336%0.357SS*.G310 helixtrans-56.6-47.4-172.7-175.9-98.3000112.5N148 K149 S154 L155N148-Y152 PolarHBondContact O-N 2.86Å; K149-Y152 VanDerWaalsContact O-CB 3.27Å; K149-Y152 WeakPolarHBondContact O-CB 3.46Å; K149-Y152 PolarHBondContact O-N 2.58Å; K149-Y152 VanDerWaalsContact O-N 3.15Å; Y152-S154 PolarHBondContact O-N 3.49Å; Y152-L155 HydrophobicContact CD2-CD1 4.32Å; Y152-L155 WeakPolarHBondContact O-CB 3.16Å; Y152-L155 PolarHBondContact O-N 3.25Å
153D89.6Confident92.8Very high90 Ų9072 Ų7248%0.48136%0.357SS..G310 helixtrans-67.6-23.8177.9-75-22000113.2F151 R156F151-D153 PolarHBondContact O-N 3Å; D153-R156 VanDerWaalsContact O-CD 3.27Å; D153-R156 WeakPolarHBondContact O-CD 3.41Å; D153-R156 VanDerWaalsContact O-CG 3.23Å; D153-R156 WeakPolarHBondContact O-CG 3.34Å; D153-R156 PolarHBondContact O-NE 3.28Å; D153-R156 VanDerWaalsContact O-NE 3.1Å
154S92Very high92.8Very high0 Ų068 Ų680%034%0.341CS..G310 helixtrans-78.6-22177.1-57.70000112.2K112 D116 F151 Y152 R156 L157K112-S154 WeakPolarHBondContact CE-OG 3.33Å; D116-S154 WeakPolarHBondContact OD1-CB 3.13Å; D116-S154 PolarHBondContact OD1-OG 2.84Å; D116-S154 PolarHBondContact OD2-OG 3.09Å; F151-S154 WeakPolarHBondContact O-CA 3.43Å; F151-S154 VanDerWaalsContact O-CB 3.27Å; F151-S154 WeakPolarHBondContact O-CB 3.16Å; F151-S154 PolarHBondContact O-N 3.07Å; Y152-S154 PolarHBondContact O-N 3.49Å; S154-R156 PolarHBondContact O-N 3.43Å; S154-R156 VanDerWaalsContact O-N 3.17Å; S154-L157 WeakPolarHBondContact O-CA 3.12Å; S154-L157 VanDerWaalsContact O-CB 3.26Å; S154-L157 WeakPolarHBondContact O-CB 3.27Å; S154-L157 PolarHBondContact O-N 3.49Å
155L87.6Confident92.9Very high65 Ų6566.6 Ų66.634%0.3433%0.333SS..Hα-helixtrans-59.3-29.7179.3-61.6-177.9000112.7F151 Y152 L157 V158 F165F151-L155 WeakPolarHBondContact O-CG 3.39Å; F151-L155 PolarHBondContact O-N 2.95Å; F151-L155 VanDerWaalsContact O-N 3.11Å; Y152-L155 HydrophobicContact CD2-CD1 4.32Å; Y152-L155 WeakPolarHBondContact O-CB 3.16Å; Y152-L155 PolarHBondContact O-N 3.25Å; L155-L157 PolarHBondContact O-N 3.03Å; L155-V158 HydrophobicContact CD2-CG2 4.45Å; L155-V158 VanDerWaalsContact O-CB 3.28Å; L155-V158 WeakPolarHBondContact O-CB 3.45Å; L155-V158 PolarHBondContact O-N 3.45Å; L155-V158 VanDerWaalsContact O-N 3.13Å; L155-F165 HydrophobicContact CD2-CE2 3.65Å; L155-F165 HydrophobicContact CD2-CZ 3.86Å
156R90.9Very high93Very high184 Ų18464.6 Ų64.669%0.69432%0.315SS*.Hα-helixtrans-63.3-24.3174.475.6-163171.3-164.3-5.6113.2D153 S154D153-R156 VanDerWaalsContact O-CD 3.27Å; D153-R156 WeakPolarHBondContact O-CD 3.41Å; D153-R156 VanDerWaalsContact O-CG 3.23Å; D153-R156 WeakPolarHBondContact O-CG 3.34Å; D153-R156 PolarHBondContact O-NE 3.28Å; D153-R156 VanDerWaalsContact O-NE 3.1Å; S154-R156 PolarHBondContact O-N 3.43Å; S154-R156 VanDerWaalsContact O-N 3.17Å
157L91.9Very high93.1Very high36 Ų3662.8 Ų62.819%0.18831%0.314CS..Hα-helixtrans-83.1-17.7179-51.6174000112.1D116 V119 R120 S154 L155 G159 R161D116-L157 HydrophobicContact CB-CD1 4.08Å; D116-L157 WeakPolarHBondContact OD1-CD1 3.4Å; V119-L157 HydrophobicContact CG1-CB 3.58Å; V119-L157 HydrophobicContact CG1-CD1 4.1Å; R120-L157 HydrophobicContact CG-CD1 4.12Å; R120-L157 HydrophobicContact CG-CD2 4.28Å; S154-L157 WeakPolarHBondContact O-CA 3.12Å; S154-L157 VanDerWaalsContact O-CB 3.26Å; S154-L157 WeakPolarHBondContact O-CB 3.27Å; S154-L157 PolarHBondContact O-N 3.49Å; L155-L157 PolarHBondContact O-N 3.03Å; L157-G159 PolarHBondContact O-N 3.34Å; L157-R161 PolarHBondContact O-NH1 3.37Å
158V89.2Confident93.2Very high7 Ų762.8 Ų62.84%0.04232%0.315CS..Hα-helixtrans-65.3-27.6177.6176.40000111.3F115 V119 L129 L155 R161 C163F115-V158 HydrophobicContact CZ-CG2 4.29Å; V119-V158 HydrophobicContact CG2-CB 4.45Å; V119-V158 HydrophobicContact CG2-CG2 4.04Å; L129-V158 HydrophobicContact CD2-CG2 4.29Å; L155-V158 HydrophobicContact CD2-CG2 4.45Å; L155-V158 VanDerWaalsContact O-CB 3.28Å; L155-V158 WeakPolarHBondContact O-CB 3.45Å; L155-V158 PolarHBondContact O-N 3.45Å; L155-V158 VanDerWaalsContact O-N 3.13Å; V158-R161 HydrophobicContact CG1-CB 3.87Å; V158-R161 WeakPolarHBondContact O-CB 3.43Å; V158-R161 VanDerWaalsContact O-CD 3.29Å; V158-R161 WeakPolarHBondContact O-CD 3.4Å; V158-R161 VanDerWaalsContact O-CG 3.24Å; V158-R161 WeakPolarHBondContact O-CG 3.21Å; V158-R161 PolarHBondContact O-N 2.89Å; V158-R161 PolarHBondContact O-NH1 3.49Å; V158-C163 HydrophobicContact CG1-CB 3.58Å
159G88.1Confident93.4Very high53 Ų5360.2 Ų60.255%0.54630%0.301SS..THydrogen-bonded Turntrans64.7-136.3177.400000112L157 R161L157-G159 PolarHBondContact O-N 3.34Å; G159-R161 VanDerWaalsContact C-N 3.28Å; G159-R161 PolarHBondContact O-N 3.46Å
160Q86.5Confident93.5Very high193 Ų19353 Ų5390%0.90227%0.27SS*.THydrogen-bonded Turntrans-86.79.3-177.9-61.1-61.2-33.100113.9
161R92.8Very high93.6Very high30 Ų3055.1 Ų55.111%0.11328%0.28CS..SBendtrans-69.2144.5-178.4-62.6171.2-175.4105.6-13.6110.5V119 N121 L124 E125 V127 L157 V158 G159 C163V119-R161 PolarHBondContact O-NH1 3.28Å; V119-R161 PolarHBondContact O-NH2 2.74Å; N121-R161 PolarHBondContact O-NH2 2.59Å; L124-R161 VanDerWaalsContact C-NH2 3.27Å; L124-R161 PolarHBondContact O-NE 2.9Å; L124-R161 PolarHBondContact O-NH2 3.47Å; E125-R161 VanDerWaalsContact N-NH2 3.19Å; V127-R161 WeakPolarHBondContact O-CD 3.44Å; V127-R161 WeakPolarHBondContact O-CG 3.41Å; L157-R161 PolarHBondContact O-NH1 3.37Å; V158-R161 HydrophobicContact CG1-CB 3.87Å; V158-R161 WeakPolarHBondContact O-CB 3.43Å; V158-R161 VanDerWaalsContact O-CD 3.29Å; V158-R161 WeakPolarHBondContact O-CD 3.4Å; V158-R161 VanDerWaalsContact O-CG 3.24Å; V158-R161 WeakPolarHBondContact O-CG 3.21Å; V158-R161 PolarHBondContact O-N 2.89Å; V158-R161 PolarHBondContact O-NH1 3.49Å; G159-R161 VanDerWaalsContact C-N 3.28Å; G159-R161 PolarHBondContact O-N 3.46Å; R161-C163 PolarHBondContact O-N 2.85Å
162Q94.8Very high93.6Very high88 Ų8859.6 Ų59.641%0.41130%0.304SS..  trans-66.6118.6164.8-65.7179.9-48.200108.5P128 L129P128-Q162 WeakPolarHBondContact CA-O 3.34Å; L129-Q162 PolarHBondContact N-O 3.37Å
163C96.4Very high93.8Very high43 Ų4352.5 Ų52.529%0.29128%0.281SS..EExtended strand (participates in β ladder)trans-132.9138.4-178.5-171.90000111.2L129 V158 R161L129-C163 HydrophobicContact CB-CB 4.45Å; L129-C163 WeakPolarHBondContact O-CA 3.38Å; V158-C163 HydrophobicContact CG1-CB 3.58Å; R161-C163 PolarHBondContact O-N 2.85Å
164T96.5Very high94.2Very high37 Ų3752.8 Ų52.823%0.22728%0.282CS..EExtended strand (participates in β ladder)trans-144.4163.5172.5-161.90000111.1L129 L130 V131 W182L129-T164 PolarHBondContact O-N 3.3Å; L130-T164 HydrophobicContact CD1-CG2 3.47Å; L130-T164 VanDerWaalsContact CD1-CG2 3.47Å; V131-T164 PolarHBondContact N-O 3.28Å; T164-W182 HydrophobicContact CG2-CD2 3.46Å; T164-W182 VanDerWaalsContact CG2-CD2 3.46Å; T164-W182 HydrophobicContact CG2-CE3 3.84Å; T164-W182 HydrophobicContact CG2-CG 4.01Å; T164-W182 HydrophobicContact CG2-CH2 3.81Å; T164-W182 HydrophobicContact CG2-CZ2 3.4Å; T164-W182 VanDerWaalsContact CG2-CZ2 3.4Å; T164-W182 HydrophobicContact CG2-CZ3 4.02Å
165F97.3Very high94.5Very high23 Ų2354.1 Ų54.110%0.10130%0.295CS..EExtended strand (participates in β ladder)trans-121.3128.7176.2-73.7-112.6000109.9V131 L144 N148 F151 L155V131-F165 HydrophobicContact CB-CD1 3.55Å; V131-F165 HydrophobicContact CB-CD2 4.3Å; V131-F165 HydrophobicContact CB-CE1 3.56Å; V131-F165 HydrophobicContact CB-CE2 4.28Å; V131-F165 HydrophobicContact CB-CG 3.93Å; V131-F165 HydrophobicContact CB-CZ 3.93Å; V131-F165 HydrophobicContact CG1-CD1 3.62Å; V131-F165 HydrophobicContact CG1-CE1 3.44Å; V131-F165 VanDerWaalsContact CG1-CE1 3.44Å; V131-F165 HydrophobicContact CG1-CG 4.49Å; V131-F165 HydrophobicContact CG1-CZ 4.17Å; V131-F165 HydrophobicContact CG2-CD1 4.34Å; V131-F165 HydrophobicContact CG2-CE1 3.94Å; V131-F165 HydrophobicContact CG2-CE2 4.11Å; V131-F165 HydrophobicContact CG2-CZ 3.79Å; V131-F165 CarbonylContact O-C 3.58Å; V131-F165 VanDerWaalsContact O-CA 3.27Å; V131-F165 WeakPolarHBondContact O-CA 3.43Å; L144-F165 HydrophobicContact CD1-CB 3.84Å; N148-F165 WeakPolarHBondContact OD1-CB 3.46Å; N148-F165 WeakPolarHBondContact OD1-CD1 3.44Å; N148-F165 WeakPolarHBondContact OD1-CD2 3.33Å; N148-F165 WeakPolarHBondContact OD1-CG 3.32Å; F151-F165 HydrophobicContact CB-CE1 4.1Å; F151-F165 HydrophobicContact CB-CZ 3.97Å; F151-F165 HydrophobicContact CD2-CE1 4.28Å; F151-F165 HydrophobicContact CG-CE1 4.33Å; L155-F165 HydrophobicContact CD2-CE2 3.65Å; L155-F165 HydrophobicContact CD2-CZ 3.86Å
166H97.9Very high95Very high32 Ų3251 Ų5115%0.14828%0.279CS..EExtended strand (participates in β ladder)trans-122.5137.1176.1-75-154.3000110.1L130 V131 L132 A133 V168 S179L130-H166 HydrophobicContact CD1-CB 4.26Å; V131-H166 PolarHBondContact O-N 3.01Å; L132-H166 WeakPolarHBondContact CA-O 3.35Å; L132-H166 HydrophobicContact CD2-CB 3.85Å; A133-H166 PolarHBondContact N-O 3.47Å; H166-V168 HydrophobicContact CB-CG1 4.43Å; H166-S179 WeakPolarHBondContact ND1-CA 3.41Å
167G98.1Very high95.3Very high29 Ų2945.9 Ų45.930%0.29927%0.266SS..EExtended strand (participates in β ladder)trans-81.1131.7165.700000109.9A133A133-G167 WeakPolarHBondContact O-CA 3.46Å
168V98.5Very high95.6Very high1 Ų147.1 Ų47.11%0.00628%0.277CS..  trans-138.7155.2-179.7-58.60000111.9L132 A133 N134 K135 Q136 H166 D174L132-V168 HydrophobicContact CB-CG2 4.06Å; L132-V168 HydrophobicContact CD1-CG2 4.36Å; L132-V168 HydrophobicContact CD2-CG1 3.95Å; A133-V168 PolarHBondContact O-N 3.27Å; N134-V168 CarbonylContact C-O 3.59Å; N134-V168 WeakPolarHBondContact CA-O 3.48Å; N134-V168 HydrophobicContact CB-CG2 3.93Å; N134-V168 PolarHBondContact OD1-O 3.26Å; K135-V168 PolarHBondContact N-O 3.48Å; K135-V168 VanDerWaalsContact N-O 3.13Å; Q136-V168 PolarHBondContact N-O 2.83Å; Q136-V168 VanDerWaalsContact N-O 3.15Å; H166-V168 HydrophobicContact CB-CG1 4.43Å; V168-D174 VanDerWaalsContact CA-O 3.32Å; V168-D174 WeakPolarHBondContact CA-O 3.28Å; V168-D174 WeakPolarHBondContact CB-O 3.49Å
169S98.2Very high96Very high1 Ų146.8 Ų46.81%0.00728%0.275CS..  trans-116.1104.4159.61770000108.1D137 L171 N172 G173 D174D137-S169 WeakPolarHBondContact OD1-CB 3.5Å; D137-S169 PolarHBondContact OD1-OG 2.81Å; S169-L171 PolarHBondContact O-N 2.9Å; S169-L171 PolarHBondContact OG-N 3.33Å; S169-N172 PolarHBondContact O-N 3.37Å; S169-N172 PolarHBondContact OG-N 2.96Å; S169-G173 WeakPolarHBondContact O-CA 3.42Å; S169-G173 PolarHBondContact O-N 3.5Å; S169-D174 PolarHBondContact N-O 2.87Å; S169-D174 PolarHBondContact O-N 2.79Å
170A97.4Very high96.5Very high2 Ų244.3 Ų44.32%0.01725%0.249CC..THydrogen-bonded Turntrans-61.9-25171.500000112.3T32 Q36 N134T32-A170 HydrophobicContact CG2-CB 3.92Å; Q36-A170 WeakPolarHBondContact CG-O 3.13Å; N134-A170 WeakPolarHBondContact OD1-CB 3.21Å; N134-A170 PolarHBondContact OD1-N 3.4Å
171L95.7Very high97Very high80 Ų8040.3 Ų40.342%0.41923%0.229SC..THydrogen-bonded Turntrans-74.1-47.4178.5-177.462.7000111.9I50 S169I50-L171 HydrophobicContact CD1-CD1 3.67Å; I50-L171 HydrophobicContact CG2-CD1 4.17Å; S169-L171 PolarHBondContact O-N 2.9Å; S169-L171 PolarHBondContact OG-N 3.33Å
172N95.4Very high97.3Very high94 Ų9441 Ų4150%0.50323%0.232SC..THydrogen-bonded Turntrans-92.8-17.5-174.8-63.2-18.1000113.4D137 S169 D174D137-N172 WeakPolarHBondContact CB-ND2 3.45Å; S169-N172 PolarHBondContact O-N 3.37Å; S169-N172 PolarHBondContact OG-N 2.96Å; N172-D174 WeakPolarHBondContact CB-OD2 3.25Å
173G95.8Very high97.5Very high15 Ų1536.9 Ų36.916%0.15521%0.212CC..  trans90.23-174.700000114.9S169 G175 I176S169-G173 WeakPolarHBondContact O-CA 3.42Å; S169-G173 PolarHBondContact O-N 3.5Å; G173-G175 PolarHBondContact O-N 3.4Å; G173-I176 WeakPolarHBondContact O-CG1 3.49Å; G173-I176 PolarHBondContact O-N 3.1Å
174D97.5Very high97.5Very high96 Ų9635 Ų3551%0.51320%0.2SC..THydrogen-bonded Turntrans-65.4133.5179.8-60.6-44000111.1V168 S169 N172 I176V168-D174 VanDerWaalsContact CA-O 3.32Å; V168-D174 WeakPolarHBondContact CA-O 3.28Å; V168-D174 WeakPolarHBondContact CB-O 3.49Å; S169-D174 PolarHBondContact N-O 2.87Å; S169-D174 PolarHBondContact O-N 2.79Å; N172-D174 WeakPolarHBondContact CB-OD2 3.25Å; D174-I176 PolarHBondContact O-N 3.11Å; D174-I176 VanDerWaalsContact O-N 3.1Å
175G97.8Very high97.6Very high27 Ų2737.6 Ų37.628%0.27821%0.212SC..THydrogen-bonded Turntrans76.6-17.6178.200000115.6G173 N177 S178 S179G173-G175 PolarHBondContact O-N 3.4Å; G175-N177 PolarHBondContact O-N 3.24Å; G175-S178 PolarHBondContact O-N 3.05Å; G175-S178 VanDerWaalsContact O-N 3.09Å; G175-S178 PolarHBondContact O-OG 3.01Å; G175-S179 PolarHBondContact O-N 2.81Å; G175-S179 PolarHBondContact O-OG 2.96Å
176I97.7Very high97.6Very high0 Ų038.5 Ų38.50%022%0.216CC..Hα-helixtrans-53.1-48.2-176.3-58.1-61.8000112.6Y33 Q36 A37 G173 D174 S178 S179 I180Y33-I176 HydrophobicContact CD2-CD1 3.18Å; Y33-I176 HydrophobicContact CE2-CD1 3.31Å; Y33-I176 HydrophobicContact CG-CD1 4.24Å; Q36-I176 HydrophobicContact CB-CD1 4.47Å; Q36-I176 HydrophobicContact CB-CG1 4.39Å; Q36-I176 HydrophobicContact CG-CD1 4.44Å; Q36-I176 HydrophobicContact CG-CG1 3.91Å; A37-I176 HydrophobicContact CB-CG2 4.03Å; G173-I176 WeakPolarHBondContact O-CG1 3.49Å; G173-I176 PolarHBondContact O-N 3.1Å; D174-I176 PolarHBondContact O-N 3.11Å; D174-I176 VanDerWaalsContact O-N 3.1Å; I176-S178 VanDerWaalsContact C-N 3.31Å; I176-S178 PolarHBondContact O-N 3.36Å; I176-S179 WeakPolarHBondContact CA-OG 3.39Å; I176-S179 PolarHBondContact O-N 2.61Å; I176-S179 PolarHBondContact O-OG 2.8Å; I176-I180 HydrophobicContact CG2-CG1 4.23Å; I176-I180 WeakPolarHBondContact O-CB 3.48Å; I176-I180 VanDerWaalsContact O-CG1 3.24Å; I176-I180 WeakPolarHBondContact O-CG1 3.23Å; I176-I180 PolarHBondContact O-N 3.11Å
177N97.3Very high97.6Very high77 Ų7737 Ų3741%0.41221%0.21SC..Hα-helixtrans-65.1-38.3-177.5-70.8-1.4000112N40 F41 G175 K181N40-N177 WeakPolarHBondContact CB-OD1 3.38Å; N40-N177 PolarHBondContact ND2-OD1 3.34Å; F41-N177 HydrophobicContact CE2-CB 4.49Å; F41-N177 VanDerWaalsContact CE2-OD1 3.29Å; F41-N177 WeakPolarHBondContact CE2-OD1 3.35Å; F41-N177 HydrophobicContact CZ-CB 4.26Å; G175-N177 PolarHBondContact O-N 3.24Å; N177-K181 WeakPolarHBondContact O-CB 3.23Å; N177-K181 VanDerWaalsContact O-CG 3.26Å; N177-K181 WeakPolarHBondContact O-CG 3.41Å; N177-K181 PolarHBondContact O-N 3.39Å
178S97.7Very high97.5Very high62 Ų6241 Ų4143%0.43422%0.218SC..Hα-helixtrans-69.9-39.5179.472.60000112G175 I176 W182G175-S178 PolarHBondContact O-N 3.05Å; G175-S178 VanDerWaalsContact O-N 3.09Å; G175-S178 PolarHBondContact O-OG 3.01Å; I176-S178 VanDerWaalsContact C-N 3.31Å; I176-S178 PolarHBondContact O-N 3.36Å; S178-W182 WeakPolarHBondContact O-CB 3.45Å; S178-W182 PolarHBondContact O-N 3.13Å
179S98.3Very high97.4Very high0 Ų043.9 Ų43.90%025%0.249CC..Hα-helixtrans-69.6-42.8178.759.80000111.5Y33 L130 H166 G175 I176 W182 I183Y33-S179 PolarHBondContact OH-OG 2.86Å; L130-S179 WeakPolarHBondContact CD2-O 3.49Å; H166-S179 WeakPolarHBondContact ND1-CA 3.41Å; G175-S179 PolarHBondContact O-N 2.81Å; G175-S179 PolarHBondContact O-OG 2.96Å; I176-S179 WeakPolarHBondContact CA-OG 3.39Å; I176-S179 PolarHBondContact O-N 2.61Å; I176-S179 PolarHBondContact O-OG 2.8Å; S179-W182 PolarHBondContact O-N 2.77Å; S179-I183 PolarHBondContact O-N 3.15Å
180I98.5Very high97.2Very high0 Ų044.5 Ų44.50%025%0.252CS..Hα-helixtrans-62.8-45.5175.1-68.6-64.9000111.7Y33 A37 F41 I64 V66 F73 I176 W182 I183 A184Y33-I180 HydrophobicContact CE1-CD1 4.18Å; Y33-I180 WeakPolarHBondContact OH-CD1 3.4Å; A37-I180 HydrophobicContact CB-CD1 3.91Å; A37-I180 HydrophobicContact CB-CG1 4.09Å; F41-I180 HydrophobicContact CD1-CG2 4.46Å; F41-I180 HydrophobicContact CD2-CG2 4.13Å; F41-I180 HydrophobicContact CE1-CG2 3.98Å; F41-I180 HydrophobicContact CE2-CB 3.73Å; F41-I180 HydrophobicContact CE2-CG1 3.95Å; F41-I180 HydrophobicContact CE2-CG2 3.61Å; F41-I180 HydrophobicContact CZ-CB 3.83Å; F41-I180 HydrophobicContact CZ-CG2 3.52Å; I64-I180 HydrophobicContact CD1-CB 4.47Å; I64-I180 HydrophobicContact CD1-CD1 3.89Å; I64-I180 HydrophobicContact CD1-CG1 4.29Å; I64-I180 HydrophobicContact CD1-CG2 3.38Å; V66-I180 HydrophobicContact CG1-CG2 4.31Å; V66-I180 HydrophobicContact CG2-CG2 4.42Å; F73-I180 HydrophobicContact CE1-CD1 4.34Å; F73-I180 HydrophobicContact CE2-CD1 4.3Å; F73-I180 HydrophobicContact CZ-CD1 3.6Å; I176-I180 HydrophobicContact CG2-CG1 4.23Å; I176-I180 WeakPolarHBondContact O-CB 3.48Å; I176-I180 VanDerWaalsContact O-CG1 3.24Å; I176-I180 WeakPolarHBondContact O-CG1 3.23Å; I176-I180 PolarHBondContact O-N 3.11Å; I180-W182 VanDerWaalsContact C-N 3.33Å; I180-W182 PolarHBondContact O-N 3.4Å; I180-I183 VanDerWaalsContact O-CG2 3.24Å; I180-I183 WeakPolarHBondContact O-CG2 3.25Å; I180-I183 PolarHBondContact O-N 2.95Å; I180-A184 VanDerWaalsContact O-CB 3.29Å; I180-A184 WeakPolarHBondContact O-CB 3.21Å; I180-A184 PolarHBondContact O-N 3.33Å
181K98Very high97.1Very high109 Ų10945.7 Ų45.747%0.47426%0.262SS..Hα-helixtrans-63.1-40176.7-76.7-179.1175.5-171.40112.2V66 N177 A184 D185V66-K181 HydrophobicContact CG2-CG 4.35Å; N177-K181 WeakPolarHBondContact O-CB 3.23Å; N177-K181 VanDerWaalsContact O-CG 3.26Å; N177-K181 WeakPolarHBondContact O-CG 3.41Å; N177-K181 PolarHBondContact O-N 3.39Å; K181-A184 PolarHBondContact O-N 3.27Å; K181-D185 WeakPolarHBondContact O-CB 3.28Å; K181-D185 PolarHBondContact O-N 3.25Å
182W98.3Very high96.9Very high46 Ų4651.6 Ų51.617%0.17428%0.284CS..Hα-helixtrans-61.4-50176.7-174.697000111.3L129 L130 T164 S178 S179 I180 A184 D185 K186L129-W182 WeakPolarHBondContact O-CH2 3.41Å; L130-W182 HydrophobicContact CB-CE3 3.95Å; L130-W182 HydrophobicContact CB-CZ3 3.74Å; L130-W182 HydrophobicContact CD1-CE3 4.2Å; L130-W182 HydrophobicContact CD2-CE3 4.46Å; L130-W182 HydrophobicContact CG-CE3 4.43Å; T164-W182 HydrophobicContact CG2-CD2 3.46Å; T164-W182 VanDerWaalsContact CG2-CD2 3.46Å; T164-W182 HydrophobicContact CG2-CE3 3.84Å; T164-W182 HydrophobicContact CG2-CG 4.01Å; T164-W182 HydrophobicContact CG2-CH2 3.81Å; T164-W182 HydrophobicContact CG2-CZ2 3.4Å; T164-W182 VanDerWaalsContact CG2-CZ2 3.4Å; T164-W182 HydrophobicContact CG2-CZ3 4.02Å; S178-W182 WeakPolarHBondContact O-CB 3.45Å; S178-W182 PolarHBondContact O-N 3.13Å; S179-W182 PolarHBondContact O-N 2.77Å; I180-W182 VanDerWaalsContact C-N 3.33Å; I180-W182 PolarHBondContact O-N 3.4Å; W182-A184 VanDerWaalsContact C-N 3.33Å; W182-A184 PolarHBondContact O-N 2.65Å; W182-D185 PolarHBondContact O-N 3.47Å; W182-K186 HydrophobicContact CD2-CG 3.8Å; W182-K186 HydrophobicContact CE3-CG 3.88Å; W182-K186 HydrophobicContact CH2-CB 4.46Å; W182-K186 HydrophobicContact CH2-CG 3.67Å; W182-K186 HydrophobicContact CZ2-CD 4.3Å; W182-K186 HydrophobicContact CZ2-CG 3.58Å; W182-K186 HydrophobicContact CZ3-CB 4.35Å; W182-K186 HydrophobicContact CZ3-CG 3.81Å; W182-K186 WeakPolarHBondContact O-CG 3.26Å; W182-K186 PolarHBondContact O-N 3.17Å
183I98.3Very high96.7Very high0 Ų053.9 Ų53.90%029%0.292CS..Hα-helixtrans-65.8-38.7-178.9-165.464.4000111V20 L71 I97 P128 L130 S179 I180 D185 K186 V187V20-I183 HydrophobicContact CG1-CG1 4.1Å; V20-I183 HydrophobicContact CG2-CG1 4.34Å; L71-I183 HydrophobicContact CD1-CG2 4.09Å; I97-I183 HydrophobicContact CD1-CG2 4.33Å; I97-I183 HydrophobicContact CG1-CG1 4.39Å; P128-I183 HydrophobicContact CB-CD1 4.25Å; L130-I183 HydrophobicContact CB-CD1 4.33Å; L130-I183 HydrophobicContact CD2-CB 4.25Å; S179-I183 PolarHBondContact O-N 3.15Å; I180-I183 VanDerWaalsContact O-CG2 3.24Å; I180-I183 WeakPolarHBondContact O-CG2 3.25Å; I180-I183 PolarHBondContact O-N 2.95Å; I183-D185 PolarHBondContact O-N 2.82Å; I183-K186 PolarHBondContact O-N 3.22Å; I183-V187 HydrophobicContact CD1-CG1 4.23Å; I183-V187 HydrophobicContact CG1-CG1 4.17Å; I183-V187 WeakPolarHBondContact O-CG1 3.29Å; I183-V187 WeakPolarHBondContact O-CG2 3.43Å; I183-V187 PolarHBondContact O-N 3.23Å
184A97.9Very high96.6Very high3 Ų355.3 Ų55.33%0.02529%0.292CS..Hα-helixtrans-57.8-47.5174.700000112.3V66 I69 L71 I180 K181 W182 V187 K188V66-A184 HydrophobicContact CG1-CB 3.67Å; V66-A184 HydrophobicContact CG2-CB 4.38Å; I69-A184 HydrophobicContact CD1-CB 4.09Å; L71-A184 HydrophobicContact CD1-CB 4.14Å; I180-A184 VanDerWaalsContact O-CB 3.29Å; I180-A184 WeakPolarHBondContact O-CB 3.21Å; I180-A184 PolarHBondContact O-N 3.33Å; K181-A184 PolarHBondContact O-N 3.27Å; W182-A184 VanDerWaalsContact C-N 3.33Å; W182-A184 PolarHBondContact O-N 2.65Å; A184-V187 WeakPolarHBondContact O-CG2 3.28Å; A184-K188 VanDerWaalsContact O-CB 3.26Å; A184-K188 WeakPolarHBondContact O-CB 3.34Å; A184-K188 PolarHBondContact O-N 3.31Å; A184-K188 VanDerWaalsContact O-N 3.14Å
185D97.7Very high96.4Very high92 Ų9255.1 Ų55.149%0.49230%0.297SS..Hα-helixtrans-60-45.7175.8176.764.8000111.5K181 W182 I183 K188 G189K181-D185 WeakPolarHBondContact O-CB 3.28Å; K181-D185 PolarHBondContact O-N 3.25Å; W182-D185 PolarHBondContact O-N 3.47Å; I183-D185 PolarHBondContact O-N 2.82Å; D185-K188 PolarHBondContact O-N 2.7Å; D185-G189 PolarHBondContact O-N 3.18Å
186K98Very high96.2Very high43 Ų4355 Ų5519%0.18729%0.291CS..Hα-helixtrans-70.6-42.2-176.7-59.9-36.8172.8-161.40113.3P128 W182 I183 K188 G189 N190P128-K186 HydrophobicContact CB-CB 3.62Å; P128-K186 HydrophobicContact CG-CB 3.79Å; W182-K186 HydrophobicContact CD2-CG 3.8Å; W182-K186 HydrophobicContact CE3-CG 3.88Å; W182-K186 HydrophobicContact CH2-CB 4.46Å; W182-K186 HydrophobicContact CH2-CG 3.67Å; W182-K186 HydrophobicContact CZ2-CD 4.3Å; W182-K186 HydrophobicContact CZ2-CG 3.58Å; W182-K186 HydrophobicContact CZ3-CB 4.35Å; W182-K186 HydrophobicContact CZ3-CG 3.81Å; W182-K186 WeakPolarHBondContact O-CG 3.26Å; W182-K186 PolarHBondContact O-N 3.17Å; I183-K186 PolarHBondContact O-N 3.22Å; K186-K188 VanDerWaalsContact C-N 3.31Å; K186-K188 PolarHBondContact O-N 2.76Å; K186-G189 PolarHBondContact O-N 3.01Å; K186-N190 VanDerWaalsContact O-CB 3.3Å; K186-N190 WeakPolarHBondContact O-CB 3.39Å; K186-N190 PolarHBondContact O-N 3.11Å
187V97.7Very high95.6Very high1 Ų159.5 Ų59.51%0.00631%0.31CS..Hα-helixtrans-65.4-38177.3-58.60000111.3F18 V20 I69 L71 N94 I183 A184 N190 A191F18-V187 HydrophobicContact CB-CB 4.17Å; F18-V187 HydrophobicContact CB-CG2 3.69Å; F18-V187 HydrophobicContact CD1-CB 3.83Å; F18-V187 HydrophobicContact CD1-CG2 3.86Å; F18-V187 HydrophobicContact CD2-CG2 4.13Å; F18-V187 HydrophobicContact CE1-CB 4.48Å; F18-V187 VanDerWaalsContact CE1-O 3.28Å; F18-V187 WeakPolarHBondContact CE1-O 2.93Å; F18-V187 HydrophobicContact CG-CB 4.09Å; F18-V187 HydrophobicContact CG-CG2 3.62Å; V20-V187 HydrophobicContact CG2-CG1 4.32Å; I69-V187 HydrophobicContact CD1-CG2 4.21Å; L71-V187 HydrophobicContact CD2-CG2 3.92Å; N94-V187 HydrophobicContact CB-CB 4.27Å; N94-V187 HydrophobicContact CB-CG1 4.32Å; N94-V187 WeakPolarHBondContact O-CG1 3.38Å; I183-V187 HydrophobicContact CD1-CG1 4.23Å; I183-V187 HydrophobicContact CG1-CG1 4.17Å; I183-V187 WeakPolarHBondContact O-CG1 3.29Å; I183-V187 WeakPolarHBondContact O-CG2 3.43Å; I183-V187 PolarHBondContact O-N 3.23Å; A184-V187 WeakPolarHBondContact O-CG2 3.28Å; V187-N190 CarbonylContact O-C 3.54Å; V187-N190 PolarHBondContact O-N 3.07Å; V187-A191 PolarHBondContact O-N 3.45Å
188K95.6Very high94.5Very high111 Ų11161.5 Ų61.548%0.48332%0.317SS..Hα-helixtrans-64.6-44.6174.1-172.1176.1-175.8173.70111.8I69 A184 D185 K186 N190 A191I69-K188 HydrophobicContact CG2-CD 4.38Å; A184-K188 VanDerWaalsContact O-CB 3.26Å; A184-K188 WeakPolarHBondContact O-CB 3.34Å; A184-K188 PolarHBondContact O-N 3.31Å; A184-K188 VanDerWaalsContact O-N 3.14Å; D185-K188 PolarHBondContact O-N 2.7Å; K186-K188 VanDerWaalsContact C-N 3.31Å; K186-K188 PolarHBondContact O-N 2.76Å; K188-N190 PolarHBondContact O-N 2.84Å; K188-A191 VanDerWaalsContact O-CB 3.23Å; K188-A191 WeakPolarHBondContact O-CB 3.35Å; K188-A191 PolarHBondContact O-N 3.35Å
189G95.7Very high93Very high63 Ų6360.6 Ų60.665%0.64931%0.307SS*.Hα-helixtrans-62.7-30.4174.500000113.3D185 K186D185-G189 PolarHBondContact O-N 3.18Å; K186-G189 PolarHBondContact O-N 3.01Å
190N95.8Very high91Very high14 Ų1467.3 Ų67.38%0.07534%0.339CS..THydrogen-bonded Turntrans-88.41.7179.1-157.238.5000114.3G126 P128 K186 V187 K188 K192 Q193 R194G126-N190 PolarHBondContact O-ND2 3.32Å; P128-N190 WeakPolarHBondContact CD-ND2 3.37Å; P128-N190 HydrophobicContact CG-CB 4.02Å; K186-N190 VanDerWaalsContact O-CB 3.3Å; K186-N190 WeakPolarHBondContact O-CB 3.39Å; K186-N190 PolarHBondContact O-N 3.11Å; V187-N190 CarbonylContact O-C 3.54Å; V187-N190 PolarHBondContact O-N 3.07Å; K188-N190 PolarHBondContact O-N 2.84Å; N190-K192 PolarHBondContact O-N 2.96Å; N190-Q193 PolarHBondContact O-N 2.84Å; N190-Q193 PolarHBondContact OD1-OE1 3.07Å; N190-R194 PolarHBondContact O-N 3.07Å
191A94.3Very high88.9Confident26 Ų2671 Ų7122%0.21536%0.358CS..THydrogen-bonded Turntrans-57.1-25.8-174.200000114.2F18 V187 K188 R194 P195F18-A191 HydrophobicContact CE1-CB 3.91Å; F18-A191 HydrophobicContact CZ-CB 4.01Å; V187-A191 PolarHBondContact O-N 3.45Å; K188-A191 VanDerWaalsContact O-CB 3.23Å; K188-A191 WeakPolarHBondContact O-CB 3.35Å; K188-A191 PolarHBondContact O-N 3.35Å; A191-R194 WeakPolarHBondContact CA-O 3.43Å; A191-R194 CarbonylContact O-C 3.5Å; A191-P195 VanDerWaalsContact O-CA 3.28Å; A191-P195 WeakPolarHBondContact O-CA 3.49Å
192K91.9Very high86.6Confident205 Ų20574.5 Ų74.589%0.89139%0.391SS*.THydrogen-bonded Turntrans-68.2-36.8175.1-69.6-174.9179.5179.80113.1N190N190-K192 PolarHBondContact O-N 2.96Å
193Q91.5Very high86Confident141 Ų14176 Ų7666%0.65940%0.402SS*.THydrogen-bonded Turntrans-87-34.6178.8-59.7-176.69.700110.9N190N190-Q193 PolarHBondContact O-N 2.84Å; N190-Q193 PolarHBondContact OD1-OE1 3.07Å
194R93.5Very high85.4Confident45 Ų4579.9 Ų79.917%0.1742%0.423CS..SBendtrans-130.787.1179-68.4-133.6173.1-159.3-8.8111.4Y90 S93 N94 V123 N190 A191Y90-R194 PolarHBondContact O-NH1 3.3Å; Y90-R194 VanDerWaalsContact O-NH1 3.13Å; S93-R194 WeakPolarHBondContact O-CD 3.47Å; S93-R194 PolarHBondContact O-NH1 3.33Å; N94-R194 PolarHBondContact ND2-O 3.3Å; V123-R194 PolarHBondContact O-NH1 2.55Å; V123-R194 PolarHBondContact O-NH2 3.05Å; N190-R194 PolarHBondContact O-N 3.07Å; A191-R194 WeakPolarHBondContact CA-O 3.43Å; A191-R194 CarbonylContact O-C 3.5Å
195P93.3Very high84.7Confident93 Ų9384.2 Ų84.260%0.60445%0.446SS*.PPolyproline II helixtrans-57.2141.1-179.7-25.835000112.6N94 A191N94-P195 PolarHBondContact ND2-O 2.89Å; N94-P195 VanDerWaalsContact ND2-O 3.1Å; A191-P195 VanDerWaalsContact O-CA 3.28Å; A191-P195 WeakPolarHBondContact O-CA 3.49Å
196P92.5Very high83.9Confident24 Ų2483.8 Ų83.816%0.15644%0.443CS..PPolyproline II helixtrans-69.4164.6170.528.7-32.8000111.3D16 E17 F18D16-P196 HydrophobicContact CB-CB 3.85Å; D16-P196 HydrophobicContact CB-CG 3.67Å; D16-P196 WeakPolarHBondContact OD1-CG 3.33Å; E17-P196 WeakPolarHBondContact O-CA 3.42Å; E17-P196 VanDerWaalsContact O-CB 3.26Å; E17-P196 WeakPolarHBondContact O-CB 3.34Å; F18-P196 HydrophobicContact CD1-CB 3.84Å; F18-P196 HydrophobicContact CD2-CB 4.14Å; F18-P196 HydrophobicContact CE1-CB 3.65Å; F18-P196 HydrophobicContact CE1-CG 3.87Å; F18-P196 HydrophobicContact CE2-CB 3.97Å; F18-P196 HydrophobicContact CE2-CG 4.23Å; F18-P196 HydrophobicContact CG-CB 4.09Å; F18-P196 HydrophobicContact CZ-CB 3.72Å; F18-P196 HydrophobicContact CZ-CG 3.68Å
197K86Confident83Confident95 Ų9586.3 Ų86.341%0.41346%0.459SS..EExtended strand (participates in β ladder)trans-76.8132.6162.1-69.3-174.2-177.2174.80108E17 E92E17-K197 PolarHBondContact N-O 3.16Å; E17-K197 PolarHBondContact O-N 2.89Å; E92-K197 IonicContact OE2-NZ 2.71Å; E92-K197 PolarHBondContact OE2-NZ 3.08Å
198Q74.6Confident82.1Confident119 Ų11992 Ų9256%0.55649%0.489SS*.EExtended strand (participates in β ladder)trans-81.3121.9174.7-70-177-21.400109.4Q14Q14-Q198 VanDerWaalsContact OE1-CD 3.28Å
199L66.6Low81.1Confident43 Ų4390.6 Ų90.623%0.22549%0.49CS..EExtended strand (participates in β ladder)trans-87.6117.7170.9-67.9172.9000109.6Q14 R15 E17 R70 I201Q14-L199 WeakPolarHBondContact CG-O 3.39Å; R15-L199 PolarHBondContact O-N 2.83Å; E17-L199 HydrophobicContact CB-CD1 3.78Å; E17-L199 HydrophobicContact CB-CD2 4.39Å; E17-L199 HydrophobicContact CB-CG 3.8Å; E17-L199 HydrophobicContact CG-CD1 4.38Å; R70-L199 HydrophobicContact CB-CD1 4.36Å; L199-I201 PolarHBondContact O-N 2.84Å
200E54.4Low80Confident141 Ų14192.8 Ų92.866%0.65948%0.477SS*.  trans-68114.7161.6-62.1-171.2155.900107.8Q10Q10-E200 PolarHBondContact NE2-OE1 3.24Å; Q10-E200 VanDerWaalsContact NE2-OE1 3.07Å
201I55.5Low78.6Confident78 Ų7899.3 Ų99.340%0.451%0.511SS..  trans-70.2128.7167.9-58.7-167.1000107.1S13 R15 L199S13-I201 WeakPolarHBondContact O-CD1 3.48Å; S13-I201 WeakPolarHBondContact O-CG1 3.39Å; R15-I201 HydrophobicContact CG-CD1 4.35Å; L199-I201 PolarHBondContact O-N 2.84Å
202P49.6Very low77.2Confident182 Ų182106 Ų106100%1.18254%0.538SS*.  trans-52.20174-2432.2000113.7

Retrieved 202 of 202 residues in 294.4 ms (Link to these results)

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