A0A068BIS6_MOUSE Loading...

Hexosyltransferase

Involved in GM1/GD1B/GA1 ganglioside biosynthesis.

AlphaFold DB (Q9Z0F0), UniProt , Accession A0A068BIS6, Species MOUSE (Mus musculus, Mouse), Gene B3galt4, Length 371 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
1M62.6Low85.5Confident232 Ų232120.7 Ų120.7100%1.14360%0.603SS**  0121.60-75.3176.6156.500108.7L3M1-L3 PolarHBondContact O-N 3.44Å
2P73.6Confident86Confident117 Ų117114.8 Ų114.876%0.7659%0.588SS**PPolyproline II helixtrans-61.6137.5172.826.3-32.1000109.7S4P2-S4 PolarHBondContact O-N 3.3Å
3L75.9Confident86.5Confident79 Ų79111.7 Ų111.741%0.41458%0.577SS.*PPolyproline II helixtrans-56.5137173.8-74159.6000109.4M1 R7 R8 L11M1-L3 PolarHBondContact O-N 3.44Å; L3-R7 HydrophobicContact CB-CB 4.32Å; L3-R7 HydrophobicContact CD2-CB 3.96Å; L3-R7 HydrophobicContact CD2-CG 4.5Å; L3-R8 HydrophobicContact CB-CG 3.84Å; L3-R8 PolarHBondContact O-NE 3.5Å; L3-R8 PolarHBondContact O-NH2 3.21Å; L3-L11 HydrophobicContact CD1-CD1 3.95Å
4S88.7Confident86.9Confident61 Ų61110 Ų11043%0.42757%0.569SS.*PPolyproline II helixtrans-56.6150.9171.764.60000110.2P2 F6 R7 R8P2-S4 PolarHBondContact O-N 3.3Å; S4-F6 PolarHBondContact O-N 3.05Å; S4-R7 PolarHBondContact O-N 3.03Å; S4-R7 PolarHBondContact OG-N 2.93Å; S4-R8 PolarHBondContact O-N 2.92Å
5L89.5Confident87Confident131 Ų131109.5 Ų109.569%0.68657%0.567SS**Hα-helixtrans-50.8-43176.5-178.768.7000110.8R7 R8 V9L5-R7 PolarHBondContact O-N 3.44Å; L5-R8 PolarHBondContact O-N 2.97Å; L5-V9 WeakPolarHBondContact O-CG2 3.39Å; L5-V9 PolarHBondContact O-N 3.35Å
6F90.5Very high87Confident156 Ų156110.1 Ų110.168%0.68457%0.57SS**Hα-helixtrans-57.2-47.4176.1-175.3-98.8000113.1S4 R8 V9 L10S4-F6 PolarHBondContact O-N 3.05Å; F6-R8 VanDerWaalsContact C-N 3.33Å; F6-R8 PolarHBondContact O-N 3.46Å; F6-V9 PolarHBondContact O-N 2.91Å; F6-L10 WeakPolarHBondContact O-CB 3.29Å; F6-L10 PolarHBondContact O-N 2.94Å
7R90.4Very high86.8Confident158 Ų158108 Ų10860%0.59656%0.563SS**Hα-helixtrans-64.6-36.6177.2-77.9-176.2-179.6-177.21.1112.3L3 S4 L5 L11L3-R7 HydrophobicContact CB-CB 4.32Å; L3-R7 HydrophobicContact CD2-CB 3.96Å; L3-R7 HydrophobicContact CD2-CG 4.5Å; S4-R7 PolarHBondContact O-N 3.03Å; S4-R7 PolarHBondContact OG-N 2.93Å; L5-R7 PolarHBondContact O-N 3.44Å; R7-L11 WeakPolarHBondContact O-CB 3.4Å; R7-L11 VanDerWaalsContact O-CG 3.29Å; R7-L11 WeakPolarHBondContact O-CG 3.41Å; R7-L11 PolarHBondContact O-N 3.2Å
8R90.9Very high86.5Confident139 Ų139106.8 Ų106.853%0.52556%0.556SS.*Hα-helixtrans-65-45175.7-72.3-175.7-112.9-176.4-2.2111.8L3 S4 L5 F6 L11 A12L3-R8 HydrophobicContact CB-CG 3.84Å; L3-R8 PolarHBondContact O-NE 3.5Å; L3-R8 PolarHBondContact O-NH2 3.21Å; S4-R8 PolarHBondContact O-N 2.92Å; L5-R8 PolarHBondContact O-N 2.97Å; F6-R8 VanDerWaalsContact C-N 3.33Å; F6-R8 PolarHBondContact O-N 3.46Å; R8-L11 PolarHBondContact O-N 2.89Å; R8-A12 WeakPolarHBondContact O-CB 3.44Å; R8-A12 PolarHBondContact O-N 2.9Å
9V92.1Very high86.2Confident83 Ų83105.3 Ų105.350%0.50355%0.548SS..Hα-helixtrans-62.9-45.6176.1173.60000110.8L5 F6 L11 A12 V13L5-V9 WeakPolarHBondContact O-CG2 3.39Å; L5-V9 PolarHBondContact O-N 3.35Å; F6-V9 PolarHBondContact O-N 2.91Å; V9-L11 PolarHBondContact O-N 3.36Å; V9-A12 PolarHBondContact O-N 2.87Å; V9-V13 HydrophobicContact CG1-CG2 4.41Å; V9-V13 WeakPolarHBondContact O-CG2 3.44Å; V9-V13 PolarHBondContact O-N 3.41Å
10L93.6Very high85.6Confident85 Ų85105.4 Ų105.445%0.44554%0.541SS..Hα-helixtrans-60.4-45177.8-176.666.9000112.1F6 V13 L14F6-L10 WeakPolarHBondContact O-CB 3.29Å; F6-L10 PolarHBondContact O-N 2.94Å; L10-V13 PolarHBondContact O-N 3.44Å; L10-L14 HydrophobicContact CG-CD1 4.13Å; L10-L14 WeakPolarHBondContact O-CB 3.33Å; L10-L14 WeakPolarHBondContact O-CG 3.22Å; L10-L14 PolarHBondContact O-N 3.45Å
11L93.1Very high84.9Confident87 Ų87102.4 Ų102.446%0.45553%0.528SS..Hα-helixtrans-62.7-41.5176.3-76.5167.1000111.9L3 R7 R8 V9 L14 L15L3-L11 HydrophobicContact CD1-CD1 3.95Å; R7-L11 WeakPolarHBondContact O-CB 3.4Å; R7-L11 VanDerWaalsContact O-CG 3.29Å; R7-L11 WeakPolarHBondContact O-CG 3.41Å; R7-L11 PolarHBondContact O-N 3.2Å; R8-L11 PolarHBondContact O-N 2.89Å; V9-L11 PolarHBondContact O-N 3.36Å; L11-L14 PolarHBondContact O-N 2.98Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 PolarHBondContact O-N 3.24Å
12A91.4Very high85.3Confident50 Ų5094.8 Ų94.841%0.41349%0.491SS..Hα-helixtrans-63.9-43176.400000111.9R8 V9 L15 L16R8-A12 WeakPolarHBondContact O-CB 3.44Å; R8-A12 PolarHBondContact O-N 2.9Å; V9-A12 PolarHBondContact O-N 2.87Å; A12-L15 PolarHBondContact O-N 2.83Å; A12-L16 WeakPolarHBondContact O-CB 3.28Å; A12-L16 WeakPolarHBondContact O-CG 3.47Å; A12-L16 PolarHBondContact O-N 2.85Å
13V91.8Very high85.1Confident74 Ų7496.1 Ų96.145%0.44849%0.485SS..Hα-helixtrans-63.4-45175.31720000110.9V9 L10 L15 L16 V17V9-V13 HydrophobicContact CG1-CG2 4.41Å; V9-V13 WeakPolarHBondContact O-CG2 3.44Å; V9-V13 PolarHBondContact O-N 3.41Å; L10-V13 PolarHBondContact O-N 3.44Å; V13-L15 PolarHBondContact O-N 3.29Å; V13-L16 PolarHBondContact O-N 3.49Å; V13-V17 HydrophobicContact CG1-CG2 4.41Å; V13-V17 VanDerWaalsContact O-CG2 3.28Å; V13-V17 WeakPolarHBondContact O-CG2 3.34Å; V13-V17 PolarHBondContact O-N 3.27Å
14L91.9Very high84.5Confident88 Ų8893 Ų9346%0.46147%0.472SS..Hα-helixtrans-61.4-43.2176.1-74.6169000111.8L10 L11 V17 I18L10-L14 HydrophobicContact CG-CD1 4.13Å; L10-L14 WeakPolarHBondContact O-CB 3.33Å; L10-L14 WeakPolarHBondContact O-CG 3.22Å; L10-L14 PolarHBondContact O-N 3.45Å; L11-L14 PolarHBondContact O-N 2.98Å; L14-V17 PolarHBondContact O-N 3.48Å; L14-I18 WeakPolarHBondContact O-CB 3.35Å; L14-I18 WeakPolarHBondContact O-CG1 3.38Å; L14-I18 PolarHBondContact O-N 3.38Å
15L89.3Confident83.1Confident103 Ų10390.3 Ų90.354%0.53945%0.454SS..Hα-helixtrans-61-44.6174.5-106.8156.2000111.7L11 A12 V13 V17 I18 I19L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 PolarHBondContact O-N 3.24Å; A12-L15 PolarHBondContact O-N 2.83Å; V13-L15 PolarHBondContact O-N 3.29Å; L15-V17 VanDerWaalsContact C-N 3.34Å; L15-V17 PolarHBondContact O-N 2.89Å; L15-I18 PolarHBondContact O-N 3.47Å; L15-I19 HydrophobicContact CD2-CD1 4.21Å; L15-I19 WeakPolarHBondContact O-CB 3.37Å; L15-I19 WeakPolarHBondContact O-CG1 3.36Å; L15-I19 PolarHBondContact O-N 3.48Å
16L86.3Confident81.8Confident118 Ų11884.7 Ų84.762%0.61843%0.425SS*.Hα-helixtrans-63.1-40.2175.8-74.1171.6000111.7A12 V13 I19 W20A12-L16 WeakPolarHBondContact O-CB 3.28Å; A12-L16 WeakPolarHBondContact O-CG 3.47Å; A12-L16 PolarHBondContact O-N 2.85Å; V13-L16 PolarHBondContact O-N 3.49Å; L16-I19 PolarHBondContact O-N 3.43Å; L16-W20 WeakPolarHBondContact O-CB 3.32Å; L16-W20 PolarHBondContact O-N 3.46Å
17V83.1Confident80.5Confident75 Ų7577.6 Ų77.646%0.45540%0.396SS..Hα-helixtrans-64.1-44.4174.5171.10000110.7V13 L14 L15 W20 T21V13-V17 HydrophobicContact CG1-CG2 4.41Å; V13-V17 VanDerWaalsContact O-CG2 3.28Å; V13-V17 WeakPolarHBondContact O-CG2 3.34Å; V13-V17 PolarHBondContact O-N 3.27Å; L14-V17 PolarHBondContact O-N 3.48Å; L15-V17 VanDerWaalsContact C-N 3.34Å; L15-V17 PolarHBondContact O-N 2.89Å; V17-W20 CarbonylContact O-C 3.6Å; V17-W20 PolarHBondContact O-N 2.9Å; V17-T21 HydrophobicContact CG1-CG2 4.37Å; V17-T21 VanDerWaalsContact O-CG2 3.31Å; V17-T21 WeakPolarHBondContact O-CG2 3.31Å; V17-T21 PolarHBondContact O-N 2.8Å; V17-T21 PolarHBondContact O-OG1 2.86Å; V17-T21 VanDerWaalsContact O-OG1 3.12Å
18I82.3Confident79.5Confident86 Ų8674.4 Ų74.444%0.44139%0.39SS..Hα-helixtrans-63.3-44.6176.7-69.7163.7000111L14 L15 W20 T21 L22L14-I18 WeakPolarHBondContact O-CB 3.35Å; L14-I18 WeakPolarHBondContact O-CG1 3.38Å; L14-I18 PolarHBondContact O-N 3.38Å; L15-I18 PolarHBondContact O-N 3.47Å; I18-W20 VanDerWaalsContact C-N 3.3Å; I18-W20 PolarHBondContact O-N 3.25Å; I18-T21 WeakPolarHBondContact CA-OG1 3.39Å; I18-T21 PolarHBondContact O-N 2.8Å; I18-T21 PolarHBondContact O-OG1 3.28Å; I18-L22 HydrophobicContact CG2-CD1 3.66Å; I18-L22 HydrophobicContact CG2-CG 4.26Å; I18-L22 VanDerWaalsContact O-CB 3.31Å; I18-L22 WeakPolarHBondContact O-CB 3.45Å; I18-L22 WeakPolarHBondContact O-CG 3.27Å; I18-L22 PolarHBondContact O-N 2.91Å
19I80.6Confident78.6Confident79 Ų7968.1 Ų68.141%0.40537%0.368SS..Hα-helixtrans-63.6-40.5176.4-69.4165.2000109.8L15 L16 F23 G24L15-I19 HydrophobicContact CD2-CD1 4.21Å; L15-I19 WeakPolarHBondContact O-CB 3.37Å; L15-I19 WeakPolarHBondContact O-CG1 3.36Å; L15-I19 PolarHBondContact O-N 3.48Å; L16-I19 PolarHBondContact O-N 3.43Å; I19-F23 HydrophobicContact CG2-CD2 4.22Å; I19-F23 CarbonylContact O-C 3.56Å; I19-F23 WeakPolarHBondContact O-CA 3.31Å; I19-F23 WeakPolarHBondContact O-CB 3.22Å; I19-F23 PolarHBondContact O-N 3.46Å; I19-G24 PolarHBondContact O-N 3.11Å
20W74.4Confident77.7Confident106 Ų10666.3 Ų66.340%0.40235%0.354SS..Hα-helixtrans-69.6-32.9178-172.488.8000113L16 V17 I18 G24 P25L16-W20 WeakPolarHBondContact O-CB 3.32Å; L16-W20 PolarHBondContact O-N 3.46Å; V17-W20 CarbonylContact O-C 3.6Å; V17-W20 PolarHBondContact O-N 2.9Å; I18-W20 VanDerWaalsContact C-N 3.3Å; I18-W20 PolarHBondContact O-N 3.25Å; W20-G24 CarbonylContact O-C 3.6Å; W20-G24 WeakPolarHBondContact O-CA 3.39Å; W20-G24 PolarHBondContact O-N 3.34Å; W20-P25 HydrophobicContact CZ2-CG 3.9Å
21T71Confident76.8Confident43 Ų4363.8 Ų63.826%0.26434%0.34SS..Hα-helixtrans-76.7-42.3174.954.80000111.9V17 I18 S26V17-T21 HydrophobicContact CG1-CG2 4.37Å; V17-T21 VanDerWaalsContact O-CG2 3.31Å; V17-T21 WeakPolarHBondContact O-CG2 3.31Å; V17-T21 PolarHBondContact O-N 2.8Å; V17-T21 PolarHBondContact O-OG1 2.86Å; V17-T21 VanDerWaalsContact O-OG1 3.12Å; I18-T21 WeakPolarHBondContact CA-OG1 3.39Å; I18-T21 PolarHBondContact O-N 2.8Å; I18-T21 PolarHBondContact O-OG1 3.28Å; T21-S26 PolarHBondContact O-OG 3.27Å
22L70Confident76Confident72 Ų7264.3 Ų64.338%0.37734%0.343SS..Hα-helixtrans-81.5-34.9-178.1-66.2178.7000113.7I18 G29 L32I18-L22 HydrophobicContact CG2-CD1 3.66Å; I18-L22 HydrophobicContact CG2-CG 4.26Å; I18-L22 VanDerWaalsContact O-CB 3.31Å; I18-L22 WeakPolarHBondContact O-CB 3.45Å; I18-L22 WeakPolarHBondContact O-CG 3.27Å; I18-L22 PolarHBondContact O-N 2.91Å; L22-G29 VanDerWaalsContact O-CA 3.26Å; L22-G29 WeakPolarHBondContact O-CA 3.4Å; L22-L32 HydrophobicContact CD2-CD1 4.13Å
23F69.2Low75.2Confident145 Ų14566.8 Ų66.864%0.63635%0.349SS*.THydrogen-bonded Turntrans-124.3-8.5-173.9-54-74000113.2I19 W368I19-F23 HydrophobicContact CG2-CD2 4.22Å; I19-F23 CarbonylContact O-C 3.56Å; I19-F23 WeakPolarHBondContact O-CA 3.31Å; I19-F23 WeakPolarHBondContact O-CB 3.22Å; I19-F23 PolarHBondContact O-N 3.46Å; F23-W368 PolarHBondContact O-NE1 2.97Å
24G64.3Low74.4Confident13 Ų1363.4 Ų63.413%0.13433%0.328CS..SBendtrans-90.4-170.5179.900000113.5I19 W20 S26I19-G24 PolarHBondContact O-N 3.11Å; W20-G24 CarbonylContact O-C 3.6Å; W20-G24 WeakPolarHBondContact O-CA 3.39Å; W20-G24 PolarHBondContact O-N 3.34Å; G24-S26 PolarHBondContact O-N 3.29Å
25P59.8Low73.5Confident6 Ų664.2 Ų64.24%0.03933%0.332CS..THydrogen-bonded Turntrans-74.58.5-16735.5-40.6000114W20 G27 R364 F365 W368W20-P25 HydrophobicContact CZ2-CG 3.9Å; P25-G27 PolarHBondContact O-N 3.12Å; P25-R364 HydrophobicContact CB-CB 4.01Å; P25-R364 WeakPolarHBondContact CB-O 3.43Å; P25-R364 WeakPolarHBondContact O-CB 3.14Å; P25-R364 WeakPolarHBondContact O-CG 3.2Å; P25-F365 HydrophobicContact CB-CD1 4.43Å; P25-F365 HydrophobicContact CG-CD1 4.29Å; P25-F365 HydrophobicContact CG-CE1 4.19Å; P25-W368 HydrophobicContact CB-CB 3.67Å; P25-W368 HydrophobicContact CB-CG 4.04Å
26S61.4Low72.7Confident13 Ų1362.2 Ų62.29%0.09133%0.327CS..THydrogen-bonded Turntrans-67.6-26.2174.9840000112.3T21 G24 L28T21-S26 PolarHBondContact O-OG 3.27Å; G24-S26 PolarHBondContact O-N 3.29Å; S26-L28 PolarHBondContact O-N 2.81Å; S26-L28 WeakPolarHBondContact OG-CB 3.16Å; S26-L28 PolarHBondContact OG-N 2.82Å; S26-L28 VanDerWaalsContact OG-N 3.11Å
27G64.3Low71.9Confident6 Ų659.7 Ų59.76%0.06231%0.314CS..  trans73.9-9.7-172.800000114.4P25 G29 E30 E31P25-G27 PolarHBondContact O-N 3.12Å; G27-G29 VanDerWaalsContact C-N 3.34Å; G27-G29 PolarHBondContact O-N 2.67Å; G27-E30 PolarHBondContact O-N 3.34Å; G27-E31 WeakPolarHBondContact O-CG 3.18Å; G27-E31 PolarHBondContact O-N 2.82Å; G27-E31 VanDerWaalsContact O-N 3.11Å
28L69.5Low71.3Confident92 Ų9258.4 Ų58.448%0.48231%0.311SS..Hα-helixtrans-61.1-38.9-174.3-73.3170.8000112.8S26 E31 L32S26-L28 PolarHBondContact O-N 2.81Å; S26-L28 WeakPolarHBondContact OG-CB 3.16Å; S26-L28 PolarHBondContact OG-N 2.82Å; S26-L28 VanDerWaalsContact OG-N 3.11Å; L28-E31 PolarHBondContact O-N 3.39Å; L28-L32 WeakPolarHBondContact O-CB 3.26Å; L28-L32 VanDerWaalsContact O-CG 3.24Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 2.87Å
29G71.8Confident70.6Confident6 Ų659.2 Ų59.26%0.06233%0.325CS..Hα-helixtrans-64.6-39.4177.300000113.4L22 G27 E31 L32 L33L22-G29 VanDerWaalsContact O-CA 3.26Å; L22-G29 WeakPolarHBondContact O-CA 3.4Å; G27-G29 VanDerWaalsContact C-N 3.34Å; G27-G29 PolarHBondContact O-N 2.67Å; G29-E31 VanDerWaalsContact C-N 3.35Å; G29-L32 PolarHBondContact O-N 3.43Å; G29-L33 WeakPolarHBondContact O-CB 3.35Å; G29-L33 WeakPolarHBondContact O-CG 3.04Å; G29-L33 PolarHBondContact O-N 2.85Å
30E72.2Confident70.5Confident46 Ų4662 Ų6222%0.21534%0.339CS..Hα-helixtrans-65-39.8174.4-66.4-169.8-141.600111.3G27 L33 S34 H300 S371G27-E30 PolarHBondContact O-N 3.34Å; E30-L33 PolarHBondContact O-N 2.04Å; E30-S34 PolarHBondContact O-N 2.75Å; E30-S34 PolarHBondContact O-OG 3.24Å; E30-H300 HydrophobicContact CB-CB 4.26Å; E30-H300 IonicContact OE2-CD2 2.91Å; E30-H300 IonicContact OE2-CE1 2.75Å; E30-H300 PolarHBondContact OE2-CE1 3.48Å; E30-H300 IonicContact OE2-CG 2.75Å; E30-H300 IonicContact OE2-ND1 3.97Å; E30-H300 PolarHBondContact OE2-ND1 3.03Å; E30-H300 IonicContact OE2-NE2 3.7Å; E30-H300 PolarHBondContact OE2-NE2 2.85Å; E30-S371 WeakPolarHBondContact OE1-CB 3.35Å; E30-S371 PolarHBondContact OE1-OG 3Å
31E75.9Confident70.9Confident32 Ų3259.1 Ų59.115%0.1533%0.332CS..Hα-helixtrans-63.6-44.7174.3-52.9-147.7172.700111.7G27 L28 G29 L33 S34 L35 R186 H300G27-E31 WeakPolarHBondContact O-CG 3.18Å; G27-E31 PolarHBondContact O-N 2.82Å; G27-E31 VanDerWaalsContact O-N 3.11Å; L28-E31 PolarHBondContact O-N 3.39Å; G29-E31 VanDerWaalsContact C-N 3.35Å; E31-L33 PolarHBondContact O-N 3.38Å; E31-S34 WeakPolarHBondContact O-CB 3.33Å; E31-S34 PolarHBondContact O-N 3.11Å; E31-L35 WeakPolarHBondContact O-CG 3.31Å; E31-L35 PolarHBondContact O-N 2.76Å; E31-R186 IonicContact OE1-NH2 3.66Å; E31-R186 PolarHBondContact OE1-NH2 2.82Å; E31-R186 IonicContact OE2-CZ 3.42Å; E31-R186 IonicContact OE2-NH1 3.33Å; E31-R186 PolarHBondContact OE2-NH1 2.91Å; E31-R186 IonicContact OE2-NH2 3.51Å; E31-R186 PolarHBondContact OE2-NH2 3.49Å; E31-H300 VanDerWaalsContact CD-O 3.24Å; E31-H300 WeakPolarHBondContact CG-O 3.02Å
32L76.1Confident71.4Confident97 Ų9759.8 Ų59.851%0.50834%0.337SS..Hα-helixtrans-63.9-39.9177-72.4171.5000111.9L22 L28 G29 L35 S36L22-L32 HydrophobicContact CD2-CD1 4.13Å; L28-L32 WeakPolarHBondContact O-CB 3.26Å; L28-L32 VanDerWaalsContact O-CG 3.24Å; L28-L32 WeakPolarHBondContact O-CG 3.44Å; L28-L32 PolarHBondContact O-N 2.87Å; G29-L32 PolarHBondContact O-N 3.43Å; L32-L35 PolarHBondContact O-N 3.5Å; L32-S36 PolarHBondContact O-N 2.91Å
33L73.2Confident72.2Confident102 Ų10260.6 Ų60.653%0.53435%0.354SS..Hα-helixtrans-62.1-46.2174.1-75171.4000110.7G29 E30 E31 L35 S36 L37G29-L33 WeakPolarHBondContact O-CB 3.35Å; G29-L33 WeakPolarHBondContact O-CG 3.04Å; G29-L33 PolarHBondContact O-N 2.85Å; E30-L33 PolarHBondContact O-N 2.04Å; E31-L33 PolarHBondContact O-N 3.38Å; L33-L35 VanDerWaalsContact C-N 3.28Å; L33-L35 PolarHBondContact O-N 2.77Å; L33-S36 WeakPolarHBondContact CA-OG 3.33Å; L33-S36 PolarHBondContact O-N 3.02Å; L33-S36 PolarHBondContact O-OG 3.18Å; L33-L37 VanDerWaalsContact O-CG 3.31Å; L33-L37 WeakPolarHBondContact O-CG 3.33Å; L33-L37 PolarHBondContact O-N 3.45Å
34S76Confident73.2Confident3 Ų357.9 Ų57.92%0.02135%0.351CS..Hα-helixtrans-54.4-43.8173.6-77.70000112.5E30 E31 L37 A38 W225 P298 H300E30-S34 PolarHBondContact O-N 2.75Å; E30-S34 PolarHBondContact O-OG 3.24Å; E31-S34 WeakPolarHBondContact O-CB 3.33Å; E31-S34 PolarHBondContact O-N 3.11Å; S34-L37 PolarHBondContact O-N 3.25Å; S34-A38 PolarHBondContact O-N 2.94Å; S34-W225 WeakPolarHBondContact OG-CH2 3Å; S34-W225 WeakPolarHBondContact OG-CZ2 3.33Å; S34-P298 PolarHBondContact OG-O 2.93Å; S34-H300 PolarHBondContact OG-N 2.87Å; S34-H300 VanDerWaalsContact OG-N 3.12Å
35L73.4Confident74.5Confident105 Ų10559 Ų5955%0.5536%0.358SS..Hα-helixtrans-67.2-39.7178.6-68.3169.7000112.2E31 L32 L33 A38E31-L35 WeakPolarHBondContact O-CG 3.31Å; E31-L35 PolarHBondContact O-N 2.76Å; L32-L35 PolarHBondContact O-N 3.5Å; L33-L35 VanDerWaalsContact C-N 3.28Å; L33-L35 PolarHBondContact O-N 2.77Å; L35-A38 WeakPolarHBondContact O-CB 3.46Å; L35-A38 PolarHBondContact O-N 3.17Å
36S71.4Confident76.1Confident61 Ų6162.1 Ų62.143%0.42738%0.381SS..Hα-helixtrans-67.5-35.4176.672.10000112.7L32 L33 A38 S39L32-S36 PolarHBondContact O-N 2.91Å; L33-S36 WeakPolarHBondContact CA-OG 3.33Å; L33-S36 PolarHBondContact O-N 3.02Å; L33-S36 PolarHBondContact O-OG 3.18Å; S36-A38 PolarHBondContact O-N 3.44Å; S36-S39 PolarHBondContact O-N 3.04Å; S36-S39 PolarHBondContact O-OG 2.9Å
37L69Low77.6Confident66 Ų6664.6 Ų64.635%0.34640%0.396SS..Hα-helixtrans-69.7-20.7178.8-71.3173.1000112.6L33 S34 S39 L40 W225L33-L37 VanDerWaalsContact O-CG 3.31Å; L33-L37 WeakPolarHBondContact O-CG 3.33Å; L33-L37 PolarHBondContact O-N 3.45Å; S34-L37 PolarHBondContact O-N 3.25Å; L37-S39 PolarHBondContact O-N 3.41Å; L37-L40 HydrophobicContact CD2-CD1 4.08Å; L37-L40 PolarHBondContact O-N 3.45Å; L37-W225 HydrophobicContact CD1-CE3 4.39Å; L37-W225 HydrophobicContact CD1-CH2 3.77Å; L37-W225 HydrophobicContact CD1-CZ3 3.38Å
38A70.8Confident78.9Confident48 Ų4865.2 Ų65.240%0.39740%0.403SS..G310 helixtrans-59.3-28.817400000112.2S34 L35 S36 L40 L41S34-A38 PolarHBondContact O-N 2.94Å; L35-A38 WeakPolarHBondContact O-CB 3.46Å; L35-A38 PolarHBondContact O-N 3.17Å; S36-A38 PolarHBondContact O-N 3.44Å; A38-L40 VanDerWaalsContact C-N 3.26Å; A38-L40 PolarHBondContact O-N 2.85Å; A38-L41 HydrophobicContact CB-CD1 4.28Å; A38-L41 WeakPolarHBondContact O-CB 3.5Å; A38-L41 WeakPolarHBondContact O-CD1 3.42Å; A38-L41 WeakPolarHBondContact O-CG 3.04Å; A38-L41 PolarHBondContact O-N 2.97Å
39S69Low80Confident103 Ų10364.8 Ų64.872%0.7241%0.405SS*.G310 helixtrans-75.9-11.9176.573.70000114S36 L37S36-S39 PolarHBondContact O-N 3.04Å; S36-S39 PolarHBondContact O-OG 2.9Å; L37-S39 PolarHBondContact O-N 3.41Å
40L77.7Confident80.9Confident136 Ų13670.5 Ų70.571%0.71244%0.442SS*.G310 helixtrans-101.49.9177.6-61.6177.7000112.4L37 A38L37-L40 HydrophobicContact CD2-CD1 4.08Å; L37-L40 PolarHBondContact O-N 3.45Å; A38-L40 VanDerWaalsContact C-N 3.26Å; A38-L40 PolarHBondContact O-N 2.85Å
41L82Confident81.8Confident46 Ų4670.6 Ų70.624%0.24144%0.444CS..PPolyproline II helixtrans-68.8142.3179.7-72.5171.5000111.1A38 R292 G295 A297A38-L41 HydrophobicContact CB-CD1 4.28Å; A38-L41 WeakPolarHBondContact O-CB 3.5Å; A38-L41 WeakPolarHBondContact O-CD1 3.42Å; A38-L41 WeakPolarHBondContact O-CG 3.04Å; A38-L41 PolarHBondContact O-N 2.97Å; L41-R292 HydrophobicContact CD2-CG 4.33Å; L41-G295 VanDerWaalsContact CD1-O 3.23Å; L41-G295 WeakPolarHBondContact CD1-O 3.44Å; L41-A297 HydrophobicContact CD1-CB 3.85Å; L41-A297 HydrophobicContact CD2-CB 4.13Å; L41-A297 HydrophobicContact CG-CB 4.38Å
42P82.8Confident82.5Confident57 Ų5774 Ų7437%0.3748%0.477SS..PPolyproline II helixtrans-62.3156.7170.429.6-34.6000110R292P42-R292 HydrophobicContact CG-CG 4.32Å
43A86.7Confident83.4Confident89 Ų8971.2 Ų71.274%0.73646%0.462SS*.PPolyproline II helixtrans-53.6138.2170.700000110.2A45A43-A45 PolarHBondContact O-N 3.49Å
44P90.6Very high84.4Confident89 Ų8967.9 Ų67.958%0.57845%0.447SS*.PPolyproline II helixtrans-53.7131.4177.9-25.933.2000111.5
45A90.9Very high85.3Confident35 Ų3576.8 Ų76.829%0.28948%0.48SS..PPolyproline II helixtrans-62.7147.5174.800000110.6A43 R293A43-A45 PolarHBondContact O-N 3.49Å; A45-R293 HydrophobicContact CB-CB 4.39Å; A45-R293 WeakPolarHBondContact CB-O 3.27Å; A45-R293 PolarHBondContact N-O 3.27Å
46S92.3Very high86.4Confident73 Ų7374.1 Ų74.151%0.5147%0.466SS..PPolyproline II helixtrans-57148.5168.863.20000110.5G48 R276S46-G48 PolarHBondContact O-N 2.99Å; S46-R276 PolarHBondContact OG-NH2 3.42Å
47P93.5Very high87.6Confident64 Ų6474.8 Ų74.842%0.41646%0.464SS..PPolyproline II helixtrans-48141.9172.3-2938.2000112.7K272 R276P47-K272 WeakPolarHBondContact CA-O 3.33Å; P47-K272 HydrophobicContact CB-CD 4.26Å; P47-K272 HydrophobicContact CB-CG 3.76Å; P47-K272 HydrophobicContact CG-CD 3.8Å; P47-K272 HydrophobicContact CG-CG 3.88Å; P47-R276 PolarHBondContact O-NE 3.45Å; P47-R276 PolarHBondContact O-NH2 2.78Å
48G91.7Very high88.8Confident19 Ų1972.7 Ų72.720%0.19645%0.453CS..  trans-89.6174.1170.600000112.3S46 K272 S275S46-G48 PolarHBondContact O-N 2.99Å; G48-K272 PolarHBondContact N-O 2.9Å; G48-S275 VanDerWaalsContact CA-OG 3.28Å; G48-S275 WeakPolarHBondContact CA-OG 3.34Å
49P94Very high90Very high83 Ų8372.4 Ų72.454%0.53945%0.448SS..SBendtrans-59.4156.1168.427.9-34.9000110.4L51 S275P49-L51 PolarHBondContact O-N 2.78Å; P49-S275 WeakPolarHBondContact CD-OG 3.06Å; P49-S275 VanDerWaalsContact O-CB 3.29Å; P49-S275 WeakPolarHBondContact O-CB 3.38Å; P49-S275 PolarHBondContact O-OG 3.13Å
50P89.7Confident91.2Very high127 Ų12768.9 Ų68.983%0.82542%0.421SS*.PPolyproline II helixtrans-52.7137174.5-25.534.4000111.8A52P50-A52 PolarHBondContact O-N 2Å
51L90.7Very high91.9Very high48 Ų4864.1 Ų64.125%0.25140%0.4SS..PPolyproline II helixtrans-66.1129.4175.4-72.8169.6000110.5P49 L53 L149 L271 A274P49-L51 PolarHBondContact O-N 2.78Å; L51-L53 VanDerWaalsContact C-N 3.35Å; L51-L53 HydrophobicContact CB-CD1 4.32Å; L51-L53 HydrophobicContact CB-CD2 4.16Å; L51-L53 HydrophobicContact CB-CG 3.85Å; L51-L53 HydrophobicContact CD1-CD1 4.44Å; L51-L53 HydrophobicContact CD1-CD2 4.42Å; L51-L53 PolarHBondContact O-N 3.39Å; L51-L149 HydrophobicContact CD1-CD1 4.24Å; L51-L149 HydrophobicContact CD1-CD2 4.03Å; L51-L271 HydrophobicContact CD1-CD2 4.09Å; L51-A274 HydrophobicContact CD1-CB 3.77Å; L51-A274 HydrophobicContact CD2-CB 4.09Å; L51-A274 HydrophobicContact CG-CB 4.3Å
52A91.2Very high92.4Very high103 Ų10369.3 Ų69.385%0.85142%0.422SS*.  trans-77.385.3168.700000109.7P50P50-A52 PolarHBondContact O-N 2Å
53L94.5Very high92.8Very high39 Ų3967.2 Ų67.220%0.20441%0.41CS..PPolyproline II helixtrans-93.1147.1179.9-63.5176.9000112.2L51 L149 N153L51-L53 VanDerWaalsContact C-N 3.35Å; L51-L53 HydrophobicContact CB-CD1 4.32Å; L51-L53 HydrophobicContact CB-CD2 4.16Å; L51-L53 HydrophobicContact CB-CG 3.85Å; L51-L53 HydrophobicContact CD1-CD1 4.44Å; L51-L53 HydrophobicContact CD1-CD2 4.42Å; L51-L53 PolarHBondContact O-N 3.39Å; L53-L149 HydrophobicContact CD1-CB 4.35Å; L53-L149 HydrophobicContact CD2-CB 3.61Å; L53-L149 HydrophobicContact CD2-CD1 4.18Å; L53-N153 HydrophobicContact CD1-CB 3.44Å; L53-N153 VanDerWaalsContact CD1-CB 3.44Å
54P94.4Very high92.9Very high32 Ų3263.8 Ų63.821%0.20838%0.38CS..PPolyproline II helixtrans-57.7145.4172.9-25.737.1000111.9F137P54-F137 HydrophobicContact CB-CD1 4.08Å; P54-F137 HydrophobicContact CG-CB 4.29Å; P54-F137 HydrophobicContact CG-CD1 3.86Å
55R96Very high92.3Very high190 Ų19062.7 Ų62.772%0.71739%0.385SS*.PPolyproline II helixtrans-65.3155.9174.167.3174.4-175.8-177.32.4110.7S136R55-S136 VanDerWaalsContact CG-OG 3.29Å; R55-S136 WeakPolarHBondContact CG-OG 3.37Å; R55-S136 PolarHBondContact N-OG 2.97Å; R55-S136 VanDerWaalsContact O-CB 3.25Å; R55-S136 WeakPolarHBondContact O-CB 3.43Å; R55-S136 PolarHBondContact O-N 3.12Å; R55-S136 PolarHBondContact O-OG 2.84Å; R55-S136 VanDerWaalsContact O-OG 3.13Å
56L96.4Very high91.6Very high48 Ų4863.4 Ų63.425%0.25140%0.395SS..EExtended strand (participates in β ladder)trans-87.5127.3172.4-60.1175.1000109.6Q134 A135 W154L56-Q134 CarbonylContact C-O 3.53Å; L56-Q134 VanDerWaalsContact CA-O 3.31Å; L56-Q134 WeakPolarHBondContact CA-O 3.35Å; L56-A135 HydrophobicContact CD2-CB 3.95Å; L56-W154 HydrophobicContact CD1-CB 4.3Å; L56-W154 VanDerWaalsContact CD1-CD1 3.4Å; L56-W154 HydrophobicContact CD1-CG 4.22Å
57L94.8Very high90.8Very high75 Ų7566.6 Ų66.639%0.39342%0.418SS..EExtended strand (participates in β ladder)trans-78.4-42.3171.2-58.6179.6000110.3K113 Q134L57-K113 HydrophobicContact CD1-CD 4.19Å; L57-K113 HydrophobicContact CD1-CG 3.8Å; L57-Q134 HydrophobicContact CB-CB 4.36Å; L57-Q134 HydrophobicContact CB-CG 4.37Å; L57-Q134 HydrophobicContact CD1-CG 4.34Å; L57-Q134 PolarHBondContact N-O 2.93Å
58I95.9Very high90.2Very high23 Ų2365.4 Ų65.412%0.11842%0.417CS..EExtended strand (participates in β ladder)trans-120.8109.2172.2-58.1175.4000106.1L122 S126 I132 Q134I58-L122 HydrophobicContact CD1-CB 4.32Å; I58-S126 VanDerWaalsContact CG2-OG 3.28Å; I58-S126 WeakPolarHBondContact CG2-OG 3.46Å; I58-I132 HydrophobicContact CB-CG2 4.44Å; I58-I132 HydrophobicContact CD1-CG2 4.03Å; I58-I132 HydrophobicContact CG2-CG2 4.26Å; I58-I132 WeakPolarHBondContact CG2-O 3.49Å; I58-Q134 HydrophobicContact CB-CB 3.83Å; I58-Q134 HydrophobicContact CD1-CB 4.13Å; I58-Q134 HydrophobicContact CG1-CB 4Å; I58-Q134 PolarHBondContact N-O 2.99Å; I58-Q134 PolarHBondContact O-N 3.28Å
59S94.9Very high90Very high41 Ų4168 Ų6829%0.28743%0.431SS..  trans-90.7-28.6-175.6650000113.1S61 L133 W154S59-S61 PolarHBondContact O-N 3.33Å; S59-L133 VanDerWaalsContact O-CD2 3.23Å; S59-L133 WeakPolarHBondContact O-CD2 3.1Å; S59-W154 PolarHBondContact O-NE1 3.25Å
60N94Very high89.9Confident29 Ų2966.7 Ų66.716%0.15542%0.422CS..  trans43.641.8-173.4-162.815.5000113.6H62 A63 R130 I132 L133 W154N60-H62 PolarHBondContact O-N 2.91Å; N60-A63 WeakPolarHBondContact O-CB 2.87Å; N60-A63 PolarHBondContact O-N 3.27Å; N60-R130 PolarHBondContact ND2-O 3.18Å; N60-R130 PolarHBondContact OD1-O 2.92Å; N60-I132 WeakPolarHBondContact CB-O 3.03Å; N60-L133 HydrophobicContact CB-CD2 3.71Å; N60-W154 WeakPolarHBondContact O-CZ2 3.2Å
61S93.2Very high90.2Very high37 Ų3760.7 Ų60.726%0.25938%0.383SS..THydrogen-bonded Turntrans-60.2-17.4-168.746.70000115S59S59-S61 PolarHBondContact O-N 3.33Å
62H91.4Very high90.4Very high155 Ų15558.7 Ų58.772%0.71837%0.372SS*.THydrogen-bonded Turntrans-90.4-3.4180-57.7-73000113.6N60 C64 G65N60-H62 PolarHBondContact O-N 2.91Å; H62-C64 PolarHBondContact O-N 2.95Å; H62-C64 VanDerWaalsContact O-N 3.09Å; H62-G65 PolarHBondContact O-N 3.03Å
63A91.2Very high90.7Very high13 Ų1353.8 Ų53.811%0.10733%0.332CS..SBendtrans-53.6-35.7-174.700000113.8N60 R104 Q106 L108 W154N60-A63 WeakPolarHBondContact O-CB 2.87Å; N60-A63 PolarHBondContact O-N 3.27Å; A63-R104 PolarHBondContact O-NH2 2.98Å; A63-Q106 PolarHBondContact O-OE1 3.36Å; A63-L108 HydrophobicContact CB-CD1 4.26Å; A63-L108 HydrophobicContact CB-CD2 4.28Å; A63-W154 HydrophobicContact CB-CH2 3.83Å; A63-W154 HydrophobicContact CB-CZ2 3.97Å
64C89.7Confident90.9Very high17 Ų1751.9 Ų51.912%0.11532%0.322CS..SBendtrans-100.2-12.5176.1-68.80000114.3H62 G66 Y158 C159H62-C64 PolarHBondContact O-N 2.95Å; H62-C64 VanDerWaalsContact O-N 3.09Å; C64-G66 VanDerWaalsContact C-N 3.31Å; C64-G66 PolarHBondContact O-N 3.16Å; C64-Y158 WeakPolarHBondContact CB-O 3.47Å; C64-C159 HydrophobicContact CB-CB 3.86Å; C64-C159 WeakPolarHBondContact CB-SG 3.28Å; C64-C159 WeakPolarHBondContact SG-CB 3.3Å; C64-C159 CovalentContact SG-SG 2.02Å; C64-C159 PolarHBondContact SG-SG 2.89Å
65G78.6Confident91.1Very high65 Ų6550.4 Ų50.467%0.6731%0.312SS*.  trans-86.527.8-169.500000116.2H62H62-G65 PolarHBondContact O-N 3.03Å
66G76.3Confident91.2Very high50 Ų5041.5 Ų41.552%0.51528%0.279SS..SBendtrans-87.3174.1178.600000113.6C64 G68C64-G66 VanDerWaalsContact C-N 3.31Å; C64-G66 PolarHBondContact O-N 3.16Å; G66-G68 PolarHBondContact O-N 3.02Å
67S74.4Confident91.3Very high141 Ų14139.2 Ų39.299%0.98627%0.267SS*.SBendtrans-71.5-1.9176.6520000115
68G81Confident91.5Very high39 Ų3935.9 Ų35.940%0.40225%0.25SS..SBendtrans-87.1166.8178.300000113.2G66G66-G68 PolarHBondContact O-N 3.02Å
69P88.4Confident91.6Very high73 Ų7335 Ų3547%0.47425%0.245SC..PPolyproline II helixtrans-58153174.626-34.7000111R104P69-R104 WeakPolarHBondContact O-CD 3.34Å; P69-R104 PolarHBondContact O-NH1 3.27Å
70P91.9Very high91.6Very high55 Ų5533.9 Ų33.936%0.35724%0.239SC..PPolyproline II helixtrans-59.6149.6176.727.4-35.7000110.9F72 M161P70-F72 PolarHBondContact O-N 3.14Å; P70-M161 HydrophobicContact CB-CB 3.65Å; P70-M161 WeakPolarHBondContact CB-O 2.98Å; P70-M161 HydrophobicContact CG-CB 4.13Å; P70-M161 HydrophobicContact CG-CE 4.38Å
71P94.3Very high91.6Very high2 Ų232.6 Ų32.61%0.01323%0.232CC..PPolyproline II helixtrans-63.9124.9178.526.3-32.6000110.4Q106 A162 R163P71-Q106 HydrophobicContact CB-CB 4.45Å; P71-A162 HydrophobicContact CG-CB 3.98Å; P71-A162 VanDerWaalsContact O-CA 3.24Å; P71-A162 WeakPolarHBondContact O-CA 3.4Å; P71-R163 PolarHBondContact O-N 3.21Å
72F95.5Very high91.7Very high5 Ų534.8 Ų34.82%0.02224%0.239CC..SBendtrans-64.9-45.6171174.8-94000110.3P70 F103 R104 R163 Y164 V180 L183 I184 E191P70-F72 PolarHBondContact O-N 3.14Å; F72-F103 HydrophobicContact CB-CB 3.65Å; F72-F103 HydrophobicContact CB-CD1 3.82Å; F72-F103 HydrophobicContact CB-CG 4.1Å; F72-F103 HydrophobicContact CD1-CB 4.02Å; F72-F103 HydrophobicContact CD1-CD1 4.47Å; F72-F103 HydrophobicContact CD1-CG 4.27Å; F72-F103 HydrophobicContact CD2-CB 4.36Å; F72-F103 AromaticContact CD2-CD1 3.36Å; F72-F103 HydrophobicContact CD2-CD1 3.36Å; F72-F103 AromaticContact CD2-CE1 3.74Å; F72-F103 HydrophobicContact CD2-CE1 3.74Å; F72-F103 AromaticContact CD2-CG 3.95Å; F72-F103 HydrophobicContact CD2-CG 3.95Å; F72-F103 HydrophobicContact CE2-CD1 4.02Å; F72-F103 HydrophobicContact CE2-CE1 4.05Å; F72-F103 HydrophobicContact CE2-CG 4.46Å; F72-F103 HydrophobicContact CG-CB 3.76Å; F72-F103 AromaticContact CG-CD1 3.64Å; F72-F103 HydrophobicContact CG-CD1 3.64Å; F72-F103 HydrophobicContact CG-CE1 4.45Å; F72-F103 AromaticContact CG-CG 3.85Å; F72-F103 HydrophobicContact CG-CG 3.85Å; F72-R104 WeakPolarHBondContact CB-O 3.27Å; F72-R104 PolarHBondContact N-O 3.3Å; F72-R163 HydrophobicContact CD2-CB 4.45Å; F72-Y164 HydrophobicContact CD1-CD2 4.39Å; F72-Y164 HydrophobicContact CD2-CD2 4.44Å; F72-Y164 HydrophobicContact CD2-CE2 4.48Å; F72-Y164 AromaticContact CE1-CD2 3.89Å; F72-Y164 HydrophobicContact CE1-CD2 3.89Å; F72-Y164 HydrophobicContact CE1-CE2 4.25Å; F72-Y164 AromaticContact CE2-CD2 3.96Å; F72-Y164 HydrophobicContact CE2-CD2 3.96Å; F72-Y164 AromaticContact CE2-CE2 3.69Å; F72-Y164 HydrophobicContact CE2-CE2 3.69Å; F72-Y164 AromaticContact CZ-CD2 3.65Å; F72-Y164 HydrophobicContact CZ-CD2 3.65Å; F72-Y164 AromaticContact CZ-CE2 3.54Å; F72-Y164 HydrophobicContact CZ-CE2 3.54Å; F72-Y164 PolarHBondContact O-N 2.74Å; F72-V180 HydrophobicContact CD1-CG1 4.17Å; F72-V180 HydrophobicContact CD1-CG2 4.45Å; F72-V180 HydrophobicContact CE1-CB 4.48Å; F72-V180 HydrophobicContact CE1-CG1 3.93Å; F72-L183 HydrophobicContact CE1-CB 3.9Å; F72-L183 HydrophobicContact CE1-CD1 4.28Å; F72-L183 HydrophobicContact CZ-CB 3.9Å; F72-I184 HydrophobicContact CE2-CG1 4.46Å; F72-I184 HydrophobicContact CZ-CG1 3.93Å; F72-E191 WeakPolarHBondContact CE2-OE2 3.29Å
73L97.5Very high91.8Very high0 Ų030.6 Ų30.60%022%0.219CC..EExtended strand (participates in β ladder)trans-123.9120.8176.417962.3000110.2I75 R104 V105 Q106 Y164 L166 L179 V180 L183L73-I75 HydrophobicContact CD2-CD1 4.21Å; L73-I75 HydrophobicContact CD2-CG1 4.09Å; L73-I75 HydrophobicContact CG-CG1 3.97Å; L73-R104 PolarHBondContact N-O 3.2Å; L73-V105 HydrophobicContact CB-CG1 4.35Å; L73-V105 HydrophobicContact CB-CG2 4.31Å; L73-V105 HydrophobicContact CD2-CG1 4.32Å; L73-V105 HydrophobicContact CG-CG1 4.4Å; L73-V105 WeakPolarHBondContact O-CA 3.13Å; L73-Q106 PolarHBondContact O-N 3.38Å; L73-Y164 WeakPolarHBondContact CA-O 3.5Å; L73-L166 HydrophobicContact CD1-CB 4.03Å; L73-L179 HydrophobicContact CD2-CD2 3.81Å; L73-L179 HydrophobicContact CD2-CG 4.23Å; L73-V180 HydrophobicContact CD2-CG2 4.02Å; L73-L183 HydrophobicContact CD1-CD1 4.02Å
74L98.1Very high92Very high0 Ų033.5 Ų33.50%023%0.232CC..EExtended strand (participates in β ladder)trans-104123.5167.3-175.372.2000109.3L76 Q106 L108 W154 V155 Y164 I165 L166L74-L76 HydrophobicContact CD2-CD2 4.08Å; L74-L76 HydrophobicContact CG-CD2 4.3Å; L74-Q106 CarbonylContact C-O 3.09Å; L74-Q106 WeakPolarHBondContact CA-O 3.38Å; L74-Q106 HydrophobicContact CD1-CB 3.92Å; L74-Q106 HydrophobicContact CD1-CG 4.14Å; L74-L108 HydrophobicContact CD1-CD1 3.87Å; L74-L108 HydrophobicContact CD1-CG 4.14Å; L74-W154 HydrophobicContact CD2-CZ3 3.88Å; L74-V155 HydrophobicContact CD2-CB 4.43Å; L74-V155 HydrophobicContact CD2-CG1 4.24Å; L74-V155 HydrophobicContact CD2-CG2 3.46Å; L74-V155 VanDerWaalsContact CD2-CG2 3.46Å; L74-Y164 PolarHBondContact N-O 2.83Å; L74-I165 CarbonylContact O-C 3.58Å; L74-I165 VanDerWaalsContact O-CA 3.24Å; L74-I165 WeakPolarHBondContact O-CA 3.37Å; L74-L166 PolarHBondContact O-N 2.98Å
75I98.8Very high92.3Very high0 Ų038.2 Ų38.20%026%0.256CS..EExtended strand (participates in β ladder)trans-102.4112.7179-52.1175.2000108.3L73 V77 W94 V105 Q106 T107 L108 L166 T168 V176L73-I75 HydrophobicContact CD2-CD1 4.21Å; L73-I75 HydrophobicContact CD2-CG1 4.09Å; L73-I75 HydrophobicContact CG-CG1 3.97Å; I75-V77 HydrophobicContact CG2-CG2 4.03Å; I75-W94 HydrophobicContact CD1-CE3 4.33Å; I75-W94 HydrophobicContact CD1-CZ3 3.99Å; I75-W94 HydrophobicContact CG2-CH2 4.17Å; I75-W94 HydrophobicContact CG2-CZ3 3.88Å; I75-V105 HydrophobicContact CD1-CG1 3.93Å; I75-V105 HydrophobicContact CG1-CG1 4.33Å; I75-Q106 PolarHBondContact N-O 3.33Å; I75-T107 HydrophobicContact CB-CG2 4.31Å; I75-T107 HydrophobicContact CG2-CG2 4.44Å; I75-T107 WeakPolarHBondContact O-CA 3.18Å; I75-L108 PolarHBondContact O-N 2.86Å; I75-L166 CarbonylContact C-O 3.58Å; I75-L166 WeakPolarHBondContact CA-O 3.29Å; I75-L166 HydrophobicContact CD1-CD2 4.41Å; I75-L166 HydrophobicContact CG1-CB 4.26Å; I75-L166 HydrophobicContact CG1-CD2 4.19Å; I75-L166 HydrophobicContact CG2-CB 4.34Å; I75-L166 HydrophobicContact CG2-CD2 3.82Å; I75-L166 HydrophobicContact CG2-CG 4.2Å; I75-T168 HydrophobicContact CG2-CG2 3.85Å; I75-V176 HydrophobicContact CD1-CG2 3.79Å
76L98.6Very high93.3Very high3 Ų337.2 Ų37.22%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-95.6108.1172.7-62.4-176.3000109.3L74 L108 L133 V155 I165 L166 T168L74-L76 HydrophobicContact CD2-CD2 4.08Å; L74-L76 HydrophobicContact CG-CD2 4.3Å; L76-L108 HydrophobicContact CD2-CB 4.18Å; L76-L133 HydrophobicContact CD2-CD1 4.22Å; L76-V155 HydrophobicContact CD1-CG2 3.8Å; L76-V155 HydrophobicContact CD2-CG2 4.4Å; L76-V155 HydrophobicContact CG-CG2 4.42Å; L76-I165 HydrophobicContact CD1-CG2 3.9Å; L76-I165 HydrophobicContact CG-CG2 4.03Å; L76-L166 PolarHBondContact N-O 2.85Å; L76-T168 PolarHBondContact O-N 3.43Å
77V98.7Very high94.3Very high0 Ų035 Ų350%021%0.21CC..EExtended strand (participates in β ladder)trans-93.4109.4178.4-174.70000109.3I75 T79 I90 W94 T107 L108 F109 L110 T168 D170I75-V77 HydrophobicContact CG2-CG2 4.03Å; V77-T79 PolarHBondContact O-N 3.35Å; V77-I90 HydrophobicContact CG1-CD1 3.81Å; V77-W94 HydrophobicContact CG2-CH2 3.73Å; V77-W94 HydrophobicContact CG2-CZ3 4.44Å; V77-T107 HydrophobicContact CG2-CG2 3.73Å; V77-L108 PolarHBondContact N-O 3.47Å; V77-F109 HydrophobicContact CB-CD1 3.71Å; V77-F109 HydrophobicContact CB-CE1 4.05Å; V77-F109 HydrophobicContact CG1-CD1 3.88Å; V77-F109 HydrophobicContact CG1-CE1 4.02Å; V77-F109 HydrophobicContact CG2-CD1 4.32Å; V77-F109 HydrophobicContact CG2-CE1 4.25Å; V77-F109 WeakPolarHBondContact O-CA 3.41Å; V77-L110 PolarHBondContact O-N 3.44Å; V77-T168 CarbonylContact C-O 3.56Å; V77-T168 WeakPolarHBondContact CA-O 3.1Å; V77-T168 HydrophobicContact CB-CG2 4.41Å; V77-T168 HydrophobicContact CG2-CG2 3.91Å; V77-D170 HydrophobicContact CG1-CB 3.95Å
78C98.4Very high95.4Very high6 Ų631.3 Ų31.34%0.04118%0.18CC..EExtended strand (participates in β ladder)trans-72.8115.4171.2-720000109.6K147 K167 T168 D170C78-K147 HydrophobicContact CB-CD 3.95Å; C78-K167 VanDerWaalsContact SG-CE 3.55Å; C78-T168 PolarHBondContact N-O 3.23Å; C78-D170 PolarHBondContact O-N 3.26Å
79T97.5Very high96.2Very high3 Ų329.6 Ų29.62%0.01816%0.162CC..  trans-136.8161.9-177.6-175.70000110.7V77 R87 F109 L110 L111 K147 D170V77-T79 PolarHBondContact O-N 3.35Å; T79-R87 HydrophobicContact CG2-CG 3.86Å; T79-F109 HydrophobicContact CG2-CB 3.92Å; T79-F109 HydrophobicContact CG2-CD1 4.04Å; T79-F109 HydrophobicContact CG2-CG 4.39Å; T79-L110 PolarHBondContact N-O 3.11Å; T79-L110 VanDerWaalsContact N-O 3.13Å; T79-L111 HydrophobicContact CG2-CD1 3.92Å; T79-L111 HydrophobicContact CG2-CD2 3.8Å; T79-L111 HydrophobicContact CG2-CG 3.59Å; T79-K147 PolarHBondContact O-NZ 2.82Å; T79-D170 VanDerWaalsContact CA-OD2 3.29Å; T79-D170 WeakPolarHBondContact CA-OD2 3.49Å; T79-D170 WeakPolarHBondContact CB-OD2 3.46Å; T79-D170 PolarHBondContact OG1-OD2 2.84Å
80A95.7Very high96.7Very high18 Ų1826.1 Ų26.115%0.14914%0.139CC..  trans-94.7147.9175.800000111.9E82 H83 R87 D139A80-E82 PolarHBondContact O-N 3.28Å; A80-E82 VanDerWaalsContact O-N 3.11Å; A80-H83 HydrophobicContact CB-CB 4.4Å; A80-H83 WeakPolarHBondContact O-CB 3.23Å; A80-H83 PolarHBondContact O-N 3.06Å; A80-R87 PolarHBondContact O-NH1 3.47Å; A80-D139 VanDerWaalsContact CA-OD2 3.28Å; A80-D139 WeakPolarHBondContact CA-OD2 3.3Å
81P95.2Very high97Very high2 Ų225.2 Ų25.21%0.01313%0.129CC..THydrogen-bonded Turntrans-48.3-40.2176.2-32.638.9000113.7H83 R87 L111 G112 P114 A120 L122 D139P81-H83 VanDerWaalsContact C-N 3.28Å; P81-H83 PolarHBondContact O-N 3.4Å; P81-R87 PolarHBondContact O-NH1 2.88Å; P81-R87 PolarHBondContact O-NH2 3.47Å; P81-L111 HydrophobicContact CG-CD2 4.4Å; P81-G112 WeakPolarHBondContact CG-O 3.05Å; P81-P114 HydrophobicContact CB-CB 3.85Å; P81-P114 HydrophobicContact CG-CB 4.18Å; P81-A120 HydrophobicContact CB-CB 4.05Å; P81-L122 HydrophobicContact CB-CD1 4.04Å; P81-L122 HydrophobicContact CG-CD1 4.23Å; P81-D139 VanDerWaalsContact CD-OD2 3.26Å; P81-D139 WeakPolarHBondContact CD-OD2 3.49Å; P81-D139 HydrophobicContact CG-CB 4.45Å
82E93.3Very high97.1Very high84 Ų8428.1 Ų28.139%0.39315%0.152SC..THydrogen-bonded Turntrans-72.9-15.4-179.1-59.279.6-174.200113.7A80 L84A80-E82 PolarHBondContact O-N 3.28Å; A80-E82 VanDerWaalsContact O-N 3.11Å; E82-L84 VanDerWaalsContact C-N 3.25Å; E82-L84 PolarHBondContact O-N 3.36Å
83H95.4Very high97.2Very high66 Ų6627.9 Ų27.931%0.30615%0.151SC..  trans-8646.5-175.9-69.1-175.3000113.6A80 P81 N85 Q86 R87 D170A80-H83 HydrophobicContact CB-CB 4.4Å; A80-H83 WeakPolarHBondContact O-CB 3.23Å; A80-H83 PolarHBondContact O-N 3.06Å; P81-H83 VanDerWaalsContact C-N 3.28Å; P81-H83 PolarHBondContact O-N 3.4Å; H83-N85 VanDerWaalsContact C-N 3.28Å; H83-N85 PolarHBondContact O-N 3.33Å; H83-Q86 VanDerWaalsContact C-OE1 3.3Å; H83-Q86 HydrophobicContact CB-CB 4.1Å; H83-Q86 HydrophobicContact CB-CG 4.11Å; H83-Q86 PolarHBondContact O-N 3.14Å; H83-Q86 PolarHBondContact O-OE1 3.44Å; H83-R87 VanDerWaalsContact C-NH1 3.3Å; H83-R87 PolarHBondContact O-N 2.75Å; H83-R87 VanDerWaalsContact O-N 3.14Å; H83-R87 PolarHBondContact O-NH1 3.15Å; H83-D170 WeakPolarHBondContact CB-OD2 3.5Å; H83-D170 IonicContact CE1-OD2 2.7Å; H83-D170 IonicContact CG-OD2 2.63Å; H83-D170 IonicContact ND1-OD1 3.52Å; H83-D170 IonicContact ND1-OD2 3.07Å; H83-D170 PolarHBondContact ND1-OD2 3.28Å
84L94.9Very high97.1Very high74 Ų7427.9 Ų27.939%0.38715%0.152SC..Hα-helixtrans-59.3-39.617917961.2000112.1E82 Q86 R87 N88 E125E82-L84 VanDerWaalsContact C-N 3.25Å; E82-L84 PolarHBondContact O-N 3.36Å; L84-Q86 PolarHBondContact O-N 2.85Å; L84-R87 PolarHBondContact O-N 2.65Å; L84-N88 WeakPolarHBondContact O-CB 3.39Å; L84-N88 VanDerWaalsContact O-CG 3.25Å; L84-N88 PolarHBondContact O-N 2.71Å; L84-N88 PolarHBondContact O-ND2 3.5Å; L84-E125 HydrophobicContact CD1-CG 4.39Å
85N96.7Very high97.1Very high116 Ų11628 Ų2862%0.6215%0.153SC*.Hα-helixtrans-64.9-38.7-179.8-70.9-17.3000112.3H83 N88 A89 P329H83-N85 VanDerWaalsContact C-N 3.28Å; H83-N85 PolarHBondContact O-N 3.33Å; N85-N88 PolarHBondContact O-N 3.02Å; N85-A89 WeakPolarHBondContact O-CB 3.45Å; N85-A89 PolarHBondContact O-N 3.13Å; N85-P329 HydrophobicContact CB-CG 4.28Å
86Q98Very high97Very high45 Ų4530.3 Ų30.321%0.2117%0.172CC..Hα-helixtrans-64.9-48.7176.2-66.774-6.200110.3H83 L84 N88 A89 I90 D170 P329H83-Q86 VanDerWaalsContact C-OE1 3.3Å; H83-Q86 HydrophobicContact CB-CB 4.1Å; H83-Q86 HydrophobicContact CB-CG 4.11Å; H83-Q86 PolarHBondContact O-N 3.14Å; H83-Q86 PolarHBondContact O-OE1 3.44Å; L84-Q86 PolarHBondContact O-N 2.85Å; Q86-N88 VanDerWaalsContact C-N 3.31Å; Q86-N88 PolarHBondContact O-N 2.91Å; Q86-A89 PolarHBondContact O-N 2.75Å; Q86-I90 WeakPolarHBondContact O-CG1 3.24Å; Q86-I90 PolarHBondContact O-N 3.17Å; Q86-D170 HydrophobicContact CB-CB 4.06Å; Q86-P329 HydrophobicContact CG-CG 3.93Å
87R98Very high96.9Very high2 Ų231.4 Ų31.41%0.00818%0.177CC..Hα-helixtrans-57.4-45.2175.3-66.4-167.7-67.4-78.59.3111.6T79 A80 P81 H83 L84 I90 R91 F109 E125T79-R87 HydrophobicContact CG2-CG 3.86Å; A80-R87 PolarHBondContact O-NH1 3.47Å; P81-R87 PolarHBondContact O-NH1 2.88Å; P81-R87 PolarHBondContact O-NH2 3.47Å; H83-R87 VanDerWaalsContact C-NH1 3.3Å; H83-R87 PolarHBondContact O-N 2.75Å; H83-R87 VanDerWaalsContact O-N 3.14Å; H83-R87 PolarHBondContact O-NH1 3.15Å; L84-R87 PolarHBondContact O-N 2.65Å; R87-I90 PolarHBondContact O-N 3.21Å; R87-R91 WeakPolarHBondContact O-CG 3.41Å; R87-R91 PolarHBondContact O-N 3.3Å; R87-F109 HydrophobicContact CB-CD1 4.27Å; R87-F109 HydrophobicContact CB-CE1 3.98Å; R87-F109 HydrophobicContact CB-CE2 4.36Å; R87-F109 HydrophobicContact CB-CZ 4.02Å; R87-F109 HydrophobicContact CG-CD1 3.66Å; R87-F109 HydrophobicContact CG-CD2 4.49Å; R87-F109 HydrophobicContact CG-CE1 3.84Å; R87-F109 HydrophobicContact CG-CG 4.02Å; R87-F109 HydrophobicContact CG-CZ 4.33Å; R87-E125 IonicContact CZ-OE1 3.58Å; R87-E125 IonicContact CZ-OE2 3.43Å; R87-E125 IonicContact NE-OE1 2.79Å; R87-E125 PolarHBondContact NE-OE1 2.88Å; R87-E125 IonicContact NE-OE2 2.69Å; R87-E125 PolarHBondContact NE-OE2 3.28Å; R87-E125 IonicContact NH2-OE1 3.32Å; R87-E125 IonicContact NH2-OE2 2.73Å; R87-E125 PolarHBondContact NH2-OE2 2.88Å
88N97.8Very high96.7Very high64 Ų6437.5 Ų37.534%0.34220%0.2SC..Hα-helixtrans-65.4-39178.5-71.8-15.2000112.7L84 N85 Q86 R91 A92L84-N88 WeakPolarHBondContact O-CB 3.39Å; L84-N88 VanDerWaalsContact O-CG 3.25Å; L84-N88 PolarHBondContact O-N 2.71Å; L84-N88 PolarHBondContact O-ND2 3.5Å; N85-N88 PolarHBondContact O-N 3.02Å; Q86-N88 VanDerWaalsContact C-N 3.31Å; Q86-N88 PolarHBondContact O-N 2.91Å; N88-R91 PolarHBondContact O-N 3.11Å; N88-R91 PolarHBondContact OD1-NH1 3.18Å; N88-A92 VanDerWaalsContact O-CB 3.31Å; N88-A92 WeakPolarHBondContact O-CB 3.44Å; N88-A92 PolarHBondContact O-N 3.33Å
89A98.3Very high96.6Very high3 Ų343.6 Ų43.63%0.02523%0.228CC..Hα-helixtrans-64.4-40.3174.400000112.1N85 Q86 A92 S93 P329 M332N85-A89 WeakPolarHBondContact O-CB 3.45Å; N85-A89 PolarHBondContact O-N 3.13Å; Q86-A89 PolarHBondContact O-N 2.75Å; A89-A92 PolarHBondContact O-N 3.34Å; A89-S93 VanDerWaalsContact O-CB 3.3Å; A89-S93 WeakPolarHBondContact O-CB 3.44Å; A89-S93 PolarHBondContact O-N 3.28Å; A89-S93 PolarHBondContact O-OG 2.84Å; A89-P329 HydrophobicContact CB-CB 3.75Å; A89-M332 HydrophobicContact CB-CB 4.24Å; A89-M332 HydrophobicContact CB-CG 4.34Å
90I98.5Very high96.4Very high0 Ų043.8 Ų43.80%023%0.23CC..Hα-helixtrans-64.5-46.2174.2-69.9171.6000110.7V77 Q86 R87 A92 S93 W94 G95 T107 F109 D170 M332V77-I90 HydrophobicContact CG1-CD1 3.81Å; Q86-I90 WeakPolarHBondContact O-CG1 3.24Å; Q86-I90 PolarHBondContact O-N 3.17Å; R87-I90 PolarHBondContact O-N 3.21Å; I90-A92 PolarHBondContact O-N 3.43Å; I90-S93 CarbonylContact O-C 3.52Å; I90-S93 PolarHBondContact O-N 3.19Å; I90-S93 VanDerWaalsContact O-N 3.09Å; I90-S93 PolarHBondContact O-OG 3.44Å; I90-W94 HydrophobicContact CB-CZ2 4.31Å; I90-W94 HydrophobicContact CD1-CH2 4.37Å; I90-W94 HydrophobicContact CD1-CZ2 3.81Å; I90-W94 HydrophobicContact CG1-CZ2 3.74Å; I90-W94 HydrophobicContact CG2-CD2 4.38Å; I90-W94 HydrophobicContact CG2-CE3 4.41Å; I90-W94 HydrophobicContact CG2-CH2 3.69Å; I90-W94 HydrophobicContact CG2-CZ2 3.65Å; I90-W94 HydrophobicContact CG2-CZ3 4.07Å; I90-G95 VanDerWaalsContact O-CA 3.22Å; I90-G95 WeakPolarHBondContact O-CA 3.34Å; I90-G95 PolarHBondContact O-N 3.29Å; I90-T107 HydrophobicContact CG2-CG2 4.38Å; I90-F109 HydrophobicContact CB-CE1 4.07Å; I90-F109 HydrophobicContact CB-CZ 4.01Å; I90-F109 HydrophobicContact CD1-CE1 4.12Å; I90-F109 HydrophobicContact CG2-CE1 3.89Å; I90-F109 HydrophobicContact CG2-CZ 3.75Å; I90-D170 HydrophobicContact CD1-CB 4.2Å; I90-M332 HydrophobicContact CG1-CE 4.21Å
91R97.9Very high96.2Very high37 Ų3748.9 Ų48.914%0.1425%0.245CC..Hα-helixtrans-59.4-33.1175.4-73.3178-173.1119.71.1113R87 N88 S93 A96 F109 E125 D131R87-R91 WeakPolarHBondContact O-CG 3.41Å; R87-R91 PolarHBondContact O-N 3.3Å; N88-R91 PolarHBondContact O-N 3.11Å; N88-R91 PolarHBondContact OD1-NH1 3.18Å; R91-S93 VanDerWaalsContact C-N 3.33Å; R91-A96 VanDerWaalsContact O-CB 3.29Å; R91-A96 WeakPolarHBondContact O-CB 3.4Å; R91-F109 HydrophobicContact CG-CE2 3.81Å; R91-F109 HydrophobicContact CG-CZ 4Å; R91-E125 IonicContact CZ-OE1 3.87Å; R91-E125 VanDerWaalsContact CZ-OE1 3.25Å; R91-E125 IonicContact NH1-OE1 3.42Å; R91-E125 PolarHBondContact NH1-OE1 2.81Å; R91-E125 IonicContact NH2-OE1 2.72Å; R91-E125 PolarHBondContact NH2-OE1 3.42Å; R91-D131 IonicContact CZ-OD1 3.42Å; R91-D131 IonicContact CZ-OD2 3.64Å; R91-D131 IonicContact NE-OD1 3.25Å; R91-D131 IonicContact NE-OD2 2.76Å; R91-D131 PolarHBondContact NE-OD2 2.83Å; R91-D131 IonicContact NH2-OD1 2.78Å; R91-D131 PolarHBondContact NH2-OD1 3.42Å; R91-D131 IonicContact NH2-OD2 3.67Å; R91-D131 PolarHBondContact NH2-OD2 3.5Å
92A96.8Very high96.1Very high62 Ų6250.8 Ų50.851%0.51227%0.265SS..THydrogen-bonded Turntrans-87.10.817900000113.9N88 A89 I90N88-A92 VanDerWaalsContact O-CB 3.31Å; N88-A92 WeakPolarHBondContact O-CB 3.44Å; N88-A92 PolarHBondContact O-N 3.33Å; A89-A92 PolarHBondContact O-N 3.34Å; I90-A92 PolarHBondContact O-N 3.43Å
93S96.5Very high96.1Very high0 Ų047.7 Ų47.70%025%0.251CS..THydrogen-bonded Turntrans-131.6-127.3-175.863.10000112A89 I90 R91 G95 A96 M332A89-S93 VanDerWaalsContact O-CB 3.3Å; A89-S93 WeakPolarHBondContact O-CB 3.44Å; A89-S93 PolarHBondContact O-N 3.28Å; A89-S93 PolarHBondContact O-OG 2.84Å; I90-S93 CarbonylContact O-C 3.52Å; I90-S93 PolarHBondContact O-N 3.19Å; I90-S93 VanDerWaalsContact O-N 3.09Å; I90-S93 PolarHBondContact O-OG 3.44Å; R91-S93 VanDerWaalsContact C-N 3.33Å; S93-G95 PolarHBondContact O-N 3.16Å; S93-A96 VanDerWaalsContact O-CB 3.23Å; S93-A96 WeakPolarHBondContact O-CB 3.21Å; S93-A96 PolarHBondContact O-N 3Å; S93-A96 VanDerWaalsContact O-N 3.14Å; S93-M332 WeakPolarHBondContact OG-CG 3.11Å
94W96.6Very high96.1Very high1 Ų147.4 Ų47.40%0.00425%0.247CC..G310 helixtrans-63.4-27.2-175.960.9-100000112.7I75 V77 I90 A96 I97 T107 T168 V172 Y173 V174 V176 M332 W336I75-W94 HydrophobicContact CD1-CE3 4.33Å; I75-W94 HydrophobicContact CD1-CZ3 3.99Å; I75-W94 HydrophobicContact CG2-CH2 4.17Å; I75-W94 HydrophobicContact CG2-CZ3 3.88Å; V77-W94 HydrophobicContact CG2-CH2 3.73Å; V77-W94 HydrophobicContact CG2-CZ3 4.44Å; I90-W94 HydrophobicContact CB-CZ2 4.31Å; I90-W94 HydrophobicContact CD1-CH2 4.37Å; I90-W94 HydrophobicContact CD1-CZ2 3.81Å; I90-W94 HydrophobicContact CG1-CZ2 3.74Å; I90-W94 HydrophobicContact CG2-CD2 4.38Å; I90-W94 HydrophobicContact CG2-CE3 4.41Å; I90-W94 HydrophobicContact CG2-CH2 3.69Å; I90-W94 HydrophobicContact CG2-CZ2 3.65Å; I90-W94 HydrophobicContact CG2-CZ3 4.07Å; W94-A96 PolarHBondContact O-N 3Å; W94-I97 WeakPolarHBondContact O-CB 3.39Å; W94-I97 WeakPolarHBondContact O-CG1 3.38Å; W94-I97 PolarHBondContact O-N 2.81Å; W94-T107 HydrophobicContact CZ3-CG2 4.08Å; W94-T168 HydrophobicContact CH2-CG2 4.2Å; W94-V172 VanDerWaalsContact CZ2-O 3.29Å; W94-V172 WeakPolarHBondContact CZ2-O 3.19Å; W94-V172 PolarHBondContact NE1-O 2.8Å; W94-Y173 AromaticContact CD1-CD2 3.65Å; W94-Y173 AromaticContact CD1-CE2 3.96Å; W94-V174 WeakPolarHBondContact CB-O 3.34Å; W94-V174 HydrophobicContact CD2-CB 3.8Å; W94-V174 HydrophobicContact CD2-CG2 4.15Å; W94-V174 HydrophobicContact CE3-CB 3.82Å; W94-V174 HydrophobicContact CE3-CG2 4.12Å; W94-V174 HydrophobicContact CG-CB 4.3Å; W94-V174 HydrophobicContact CH2-CB 4.4Å; W94-V174 HydrophobicContact CH2-CG2 3.79Å; W94-V174 HydrophobicContact CZ2-CB 4.38Å; W94-V174 HydrophobicContact CZ2-CG2 3.79Å; W94-V174 HydrophobicContact CZ3-CB 4.15Å; W94-V174 HydrophobicContact CZ3-CG2 3.97Å; W94-V176 HydrophobicContact CB-CG2 4.31Å; W94-V176 HydrophobicContact CE3-CG2 4.05Å; W94-M332 VanDerWaalsContact CD1-SD 3.54Å; W94-M332 PolarHBondContact NE1-SD 2.83Å; W94-W336 HydrophobicContact CB-CE3 4.24Å; W94-W336 HydrophobicContact CB-CZ3 4.27Å
95G97.6Very high96.1Very high3 Ų344 Ų443%0.03123%0.229CC..G310 helixtrans-70.5-14.4178.500000114I90 S93 I97 R98 T107I90-G95 VanDerWaalsContact O-CA 3.22Å; I90-G95 WeakPolarHBondContact O-CA 3.34Å; I90-G95 PolarHBondContact O-N 3.29Å; S93-G95 PolarHBondContact O-N 3.16Å; G95-I97 VanDerWaalsContact C-N 3.32Å; G95-R98 PolarHBondContact O-NH1 3.44Å; G95-T107 PolarHBondContact O-OG1 3.26Å
96A96.9Very high96.1Very high47 Ų4740 Ų4039%0.38821%0.207SC..G310 helixtrans-73.9-22.6174.600000113R91 S93 W94 R98R91-A96 VanDerWaalsContact O-CB 3.29Å; R91-A96 WeakPolarHBondContact O-CB 3.4Å; S93-A96 VanDerWaalsContact O-CB 3.23Å; S93-A96 WeakPolarHBondContact O-CB 3.21Å; S93-A96 PolarHBondContact O-N 3Å; S93-A96 VanDerWaalsContact O-N 3.14Å; W94-A96 PolarHBondContact O-N 3Å; A96-R98 PolarHBondContact O-N 2.99Å
97I96.3Very high96.1Very high27 Ų2738.1 Ų38.114%0.13820%0.198CC..  trans-63.4121.4-174.9-62.5170.1000109.3W94 G95 E99 A100 V176 P177 W336W94-I97 WeakPolarHBondContact O-CB 3.39Å; W94-I97 WeakPolarHBondContact O-CG1 3.38Å; W94-I97 PolarHBondContact O-N 2.81Å; G95-I97 VanDerWaalsContact C-N 3.32Å; I97-E99 VanDerWaalsContact CG2-O 3.25Å; I97-E99 WeakPolarHBondContact CG2-O 3.4Å; I97-A100 HydrophobicContact CG2-CB 4.29Å; I97-V176 HydrophobicContact CB-CG1 4.39Å; I97-V176 HydrophobicContact CD1-CB 3.83Å; I97-V176 HydrophobicContact CD1-CG1 4.39Å; I97-V176 HydrophobicContact CD1-CG2 4.24Å; I97-V176 HydrophobicContact CG2-CG1 3.97Å; I97-P177 HydrophobicContact CD1-CG 4.41Å; I97-W336 HydrophobicContact CD1-CH2 3.73Å; I97-W336 HydrophobicContact CD1-CZ3 3.86Å; I97-W336 HydrophobicContact CG1-CH2 4.01Å
98R95.4Very high96.2Very high127 Ų12738 Ų3848%0.47920%0.198SC..  trans-103.1-18176.9-58.7-52.3-178.6-145.12.4113.7G95 A96 V105G95-R98 PolarHBondContact O-NH1 3.44Å; A96-R98 PolarHBondContact O-N 2.99Å; R98-V105 CarbonylContact C-O 3.48Å; R98-V105 WeakPolarHBondContact CA-O 3.17Å; R98-V105 PolarHBondContact O-N 3.4Å; R98-V105 VanDerWaalsContact O-O 3.11Å
99E94.7Very high96.2Very high134 Ų13435 Ų3563%0.62618%0.182SC*.EExtended strand (participates in β ladder)trans-145.7137.5177.7-165.8-169.1125.700109.8I97 G102 F103I97-E99 VanDerWaalsContact CG2-O 3.25Å; I97-E99 WeakPolarHBondContact CG2-O 3.4Å; E99-G102 WeakPolarHBondContact OE1-CA 3.43Å; E99-F103 CarbonylContact C-O 3.56Å; E99-F103 VanDerWaalsContact CA-O 3.3Å; E99-F103 WeakPolarHBondContact CA-O 3.41Å; E99-F103 WeakPolarHBondContact CG-O 3.18Å
100A93.9Very high96.2Very high7 Ų735 Ų356%0.05818%0.181CC..EExtended strand (participates in β ladder)trans-140.8130173.800000109.2I97 G102 F103 V105 V176 V180I97-A100 HydrophobicContact CG2-CB 4.29Å; A100-G102 PolarHBondContact O-N 3.48Å; A100-G102 VanDerWaalsContact O-N 3.15Å; A100-F103 PolarHBondContact N-O 3.43Å; A100-F103 WeakPolarHBondContact O-CB 3.48Å; A100-F103 PolarHBondContact O-N 3.13Å; A100-V105 HydrophobicContact CB-CG2 4.02Å; A100-V176 HydrophobicContact CB-CG1 4.12Å; A100-V180 HydrophobicContact CB-CB 4.21Å; A100-V180 HydrophobicContact CB-CG1 4.47Å; A100-V180 HydrophobicContact CB-CG2 3.89Å
101R92.1Very high96.1Very high125 Ų12535 Ų3547%0.47218%0.181SC..THydrogen-bonded Turntrans56.127.7179.3-51.5-63.9-173.2-178.6-0.1114.2F103 E178 V180 S181 I184R101-F103 HydrophobicContact CB-CD2 4.49Å; R101-F103 WeakPolarHBondContact O-CD2 3.31Å; R101-E178 IonicContact CZ-OE1 3.94Å; R101-E178 IonicContact NH2-OE1 2.77Å; R101-E178 PolarHBondContact NH2-OE1 3.33Å; R101-V180 HydrophobicContact CB-CG1 4.03Å; R101-V180 HydrophobicContact CG-CG1 4.17Å; R101-S181 PolarHBondContact NE-OG 3.3Å; R101-I184 HydrophobicContact CB-CD1 4.14Å
102G91.7Very high96Very high42 Ų4233.2 Ų33.243%0.43318%0.175SC..THydrogen-bonded Turntrans85.54.6-176.100000114.3E99 A100E99-G102 WeakPolarHBondContact OE1-CA 3.43Å; A100-G102 PolarHBondContact O-N 3.48Å; A100-G102 VanDerWaalsContact O-N 3.15Å
103F93.7Very high95.9Very high20 Ų2035.1 Ų35.19%0.08817%0.171CC..EExtended strand (participates in β ladder)trans-112.5137-178-70.7-83.5000111.4F72 E99 A100 R101 V105 V180 I184F72-F103 HydrophobicContact CB-CB 3.65Å; F72-F103 HydrophobicContact CB-CD1 3.82Å; F72-F103 HydrophobicContact CB-CG 4.1Å; F72-F103 HydrophobicContact CD1-CB 4.02Å; F72-F103 HydrophobicContact CD1-CD1 4.47Å; F72-F103 HydrophobicContact CD1-CG 4.27Å; F72-F103 HydrophobicContact CD2-CB 4.36Å; F72-F103 AromaticContact CD2-CD1 3.36Å; F72-F103 HydrophobicContact CD2-CD1 3.36Å; F72-F103 AromaticContact CD2-CE1 3.74Å; F72-F103 HydrophobicContact CD2-CE1 3.74Å; F72-F103 AromaticContact CD2-CG 3.95Å; F72-F103 HydrophobicContact CD2-CG 3.95Å; F72-F103 HydrophobicContact CE2-CD1 4.02Å; F72-F103 HydrophobicContact CE2-CE1 4.05Å; F72-F103 HydrophobicContact CE2-CG 4.46Å; F72-F103 HydrophobicContact CG-CB 3.76Å; F72-F103 AromaticContact CG-CD1 3.64Å; F72-F103 HydrophobicContact CG-CD1 3.64Å; F72-F103 HydrophobicContact CG-CE1 4.45Å; F72-F103 AromaticContact CG-CG 3.85Å; F72-F103 HydrophobicContact CG-CG 3.85Å; E99-F103 CarbonylContact C-O 3.56Å; E99-F103 VanDerWaalsContact CA-O 3.3Å; E99-F103 WeakPolarHBondContact CA-O 3.41Å; E99-F103 WeakPolarHBondContact CG-O 3.18Å; A100-F103 PolarHBondContact N-O 3.43Å; A100-F103 WeakPolarHBondContact O-CB 3.48Å; A100-F103 PolarHBondContact O-N 3.13Å; R101-F103 HydrophobicContact CB-CD2 4.49Å; R101-F103 WeakPolarHBondContact O-CD2 3.31Å; F103-V105 PolarHBondContact O-N 2.87Å; F103-V180 HydrophobicContact CB-CG1 4.23Å; F103-V180 HydrophobicContact CD2-CG1 4.19Å; F103-I184 HydrophobicContact CD2-CD1 3.61Å; F103-I184 HydrophobicContact CD2-CG1 4.14Å; F103-I184 HydrophobicContact CE2-CD1 3.34Å; F103-I184 HydrophobicContact CE2-CG1 3.69Å; F103-I184 HydrophobicContact CZ-CD1 4.33Å; F103-I184 HydrophobicContact CZ-CG1 4.22Å
104R95.1Very high95.7Very high60 Ų6036.3 Ų36.323%0.22618%0.179CC..EExtended strand (participates in β ladder)trans-65.6129.2177.1-176.8-177.5173.9-167.4-3.2110.9A63 P69 F72 L73A63-R104 PolarHBondContact O-NH2 2.98Å; P69-R104 WeakPolarHBondContact O-CD 3.34Å; P69-R104 PolarHBondContact O-NH1 3.27Å; F72-R104 WeakPolarHBondContact CB-O 3.27Å; F72-R104 PolarHBondContact N-O 3.3Å; L73-R104 PolarHBondContact N-O 3.2Å
105V96.4Very high95.1Very high2 Ų245.9 Ų45.91%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-119.3140.2173.8-175.80000109.2L73 I75 R98 A100 F103 V176 V180L73-V105 HydrophobicContact CB-CG1 4.35Å; L73-V105 HydrophobicContact CB-CG2 4.31Å; L73-V105 HydrophobicContact CD2-CG1 4.32Å; L73-V105 HydrophobicContact CG-CG1 4.4Å; L73-V105 WeakPolarHBondContact O-CA 3.13Å; I75-V105 HydrophobicContact CD1-CG1 3.93Å; I75-V105 HydrophobicContact CG1-CG1 4.33Å; R98-V105 CarbonylContact C-O 3.48Å; R98-V105 WeakPolarHBondContact CA-O 3.17Å; R98-V105 PolarHBondContact O-N 3.4Å; R98-V105 VanDerWaalsContact O-O 3.11Å; A100-V105 HydrophobicContact CB-CG2 4.02Å; F103-V105 PolarHBondContact O-N 2.87Å; V105-V176 HydrophobicContact CB-CG1 4.3Å; V105-V176 HydrophobicContact CG1-CG1 3.82Å; V105-V176 HydrophobicContact CG2-CG1 3.9Å; V105-V180 HydrophobicContact CG2-CG2 3.93Å
106Q96.5Very high94.4Very high32 Ų3253.9 Ų53.915%0.1524%0.244CC..EExtended strand (participates in β ladder)trans-137.2136.8174.9-173.6142.415.100111.2A63 P71 L73 L74 I75A63-Q106 PolarHBondContact O-OE1 3.36Å; P71-Q106 HydrophobicContact CB-CB 4.45Å; L73-Q106 PolarHBondContact O-N 3.38Å; L74-Q106 CarbonylContact C-O 3.09Å; L74-Q106 WeakPolarHBondContact CA-O 3.38Å; L74-Q106 HydrophobicContact CD1-CB 3.92Å; L74-Q106 HydrophobicContact CD1-CG 4.14Å; I75-Q106 PolarHBondContact N-O 3.33Å
107T98.3Very high93Very high5 Ų560.8 Ų60.83%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-112.2131178.9-53.80000109I75 V77 I90 W94 G95I75-T107 HydrophobicContact CB-CG2 4.31Å; I75-T107 HydrophobicContact CG2-CG2 4.44Å; I75-T107 WeakPolarHBondContact O-CA 3.18Å; V77-T107 HydrophobicContact CG2-CG2 3.73Å; I90-T107 HydrophobicContact CG2-CG2 4.38Å; W94-T107 HydrophobicContact CZ3-CG2 4.08Å; G95-T107 PolarHBondContact O-OG1 3.26Å
108L98.4Very high91.4Very high0 Ų068.4 Ų68.40%030%0.304CS..EExtended strand (participates in β ladder)trans-130.2142.6175.8-62176.6000109.7A63 L74 I75 L76 V77 D131 L133 W154A63-L108 HydrophobicContact CB-CD1 4.26Å; A63-L108 HydrophobicContact CB-CD2 4.28Å; L74-L108 HydrophobicContact CD1-CD1 3.87Å; L74-L108 HydrophobicContact CD1-CG 4.14Å; I75-L108 PolarHBondContact O-N 2.86Å; L76-L108 HydrophobicContact CD2-CB 4.18Å; V77-L108 PolarHBondContact N-O 3.47Å; L108-D131 CarbonylContact C-O 3.58Å; L108-D131 VanDerWaalsContact CA-O 3.3Å; L108-D131 WeakPolarHBondContact CA-O 3.33Å; L108-D131 HydrophobicContact CD2-CB 4.24Å; L108-L133 HydrophobicContact CB-CD1 4.35Å; L108-L133 HydrophobicContact CD1-CD1 4.04Å; L108-L133 HydrophobicContact CD1-CG 4.42Å; L108-W154 HydrophobicContact CD1-CE3 4.34Å; L108-W154 HydrophobicContact CD1-CH2 3.28Å; L108-W154 HydrophobicContact CD1-CZ2 4.13Å; L108-W154 HydrophobicContact CD1-CZ3 3.41Å; L108-W154 VanDerWaalsContact CD1-CZ3 3.41Å
109F98.6Very high89.9Confident2 Ų267.1 Ų67.11%0.00931%0.306CS..EExtended strand (participates in β ladder)trans-96.1129.7176.8-62.5-75.5000110.4V77 T79 R87 I90 R91 L111 D131 I132 L133V77-F109 HydrophobicContact CB-CD1 3.71Å; V77-F109 HydrophobicContact CB-CE1 4.05Å; V77-F109 HydrophobicContact CG1-CD1 3.88Å; V77-F109 HydrophobicContact CG1-CE1 4.02Å; V77-F109 HydrophobicContact CG2-CD1 4.32Å; V77-F109 HydrophobicContact CG2-CE1 4.25Å; V77-F109 WeakPolarHBondContact O-CA 3.41Å; T79-F109 HydrophobicContact CG2-CB 3.92Å; T79-F109 HydrophobicContact CG2-CD1 4.04Å; T79-F109 HydrophobicContact CG2-CG 4.39Å; R87-F109 HydrophobicContact CB-CD1 4.27Å; R87-F109 HydrophobicContact CB-CE1 3.98Å; R87-F109 HydrophobicContact CB-CE2 4.36Å; R87-F109 HydrophobicContact CB-CZ 4.02Å; R87-F109 HydrophobicContact CG-CD1 3.66Å; R87-F109 HydrophobicContact CG-CD2 4.49Å; R87-F109 HydrophobicContact CG-CE1 3.84Å; R87-F109 HydrophobicContact CG-CG 4.02Å; R87-F109 HydrophobicContact CG-CZ 4.33Å; I90-F109 HydrophobicContact CB-CE1 4.07Å; I90-F109 HydrophobicContact CB-CZ 4.01Å; I90-F109 HydrophobicContact CD1-CE1 4.12Å; I90-F109 HydrophobicContact CG2-CE1 3.89Å; I90-F109 HydrophobicContact CG2-CZ 3.75Å; R91-F109 HydrophobicContact CG-CE2 3.81Å; R91-F109 HydrophobicContact CG-CZ 4Å; F109-L111 HydrophobicContact CB-CD1 3.86Å; F109-D131 HydrophobicContact CD2-CB 4.33Å; F109-D131 WeakPolarHBondContact CE2-OD2 3.29Å; F109-D131 PolarHBondContact N-O 3.46Å; F109-I132 CarbonylContact O-C 3.58Å; F109-L133 PolarHBondContact O-N 3.28Å
110L98.4Very high88.4Confident2 Ų262.1 Ų62.11%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-112.6119-177.3-176.761.1000110.4V77 T79 L133 K147V77-L110 PolarHBondContact O-N 3.44Å; T79-L110 PolarHBondContact N-O 3.11Å; T79-L110 VanDerWaalsContact N-O 3.13Å; L110-L133 WeakPolarHBondContact CA-O 3.07Å; L110-L133 HydrophobicContact CD1-CB 3.76Å; L110-L133 HydrophobicContact CD1-CD1 4.48Å; L110-K147 HydrophobicContact CD2-CG 3.93Å; L110-K147 VanDerWaalsContact CD2-O 3.24Å; L110-K147 WeakPolarHBondContact CD2-O 3.4Å; L110-K147 HydrophobicContact CG-CD 4.44Å; L110-K147 HydrophobicContact CG-CG 3.72Å; L110-K147 WeakPolarHBondContact O-CD 3.35Å
111L97.3Very high87.8Confident0 Ų066.6 Ų66.60%031%0.311CS..EExtended strand (participates in β ladder)trans-129.8156-170.2-59.499.4000112.8T79 P81 F109 L122 I132 L133 Q134 A135T79-L111 HydrophobicContact CG2-CD1 3.92Å; T79-L111 HydrophobicContact CG2-CD2 3.8Å; T79-L111 HydrophobicContact CG2-CG 3.59Å; P81-L111 HydrophobicContact CG-CD2 4.4Å; F109-L111 HydrophobicContact CB-CD1 3.86Å; L111-L122 HydrophobicContact CD2-CD1 4.35Å; L111-L122 HydrophobicContact CD2-CD2 3.92Å; L111-I132 HydrophobicContact CD1-CB 4.43Å; L111-I132 HydrophobicContact CD1-CG1 4.25Å; L111-I132 HydrophobicContact CD1-CG2 3.72Å; L111-L133 PolarHBondContact N-O 3.03Å; L111-Q134 HydrophobicContact CB-CG 4.5Å; L111-Q134 WeakPolarHBondContact O-CA 3.33Å; L111-A135 PolarHBondContact O-N 2.94Å
112G95.8Very high87.8Confident0 Ų061 Ų610%029%0.29CS..EExtended strand (participates in β ladder)trans-95.7-162.4161.800000112.2P81 Q134 F137P81-G112 WeakPolarHBondContact CG-O 3.05Å; G112-Q134 PolarHBondContact O-NE2 3.26Å; G112-Q134 VanDerWaalsContact O-NE2 3.1Å; G112-F137 CarbonylContact C-O 3.59Å
113K94.2Very high87.7Confident101 Ų10163 Ų6344%0.43930%0.298SS..EExtended strand (participates in β ladder)trans-84.4143170.4-63.9174.563-172.90110.3L57 F137 D139L57-K113 HydrophobicContact CD1-CD 4.19Å; L57-K113 HydrophobicContact CD1-CG 3.8Å; K113-F137 WeakPolarHBondContact CB-O 3.33Å; K113-F137 PolarHBondContact N-O 2.91Å; K113-D139 WeakPolarHBondContact O-CB 3.39Å; K113-D139 PolarHBondContact O-N 2.91Å
114P91.7Very high87.6Confident26 Ų2665.3 Ų65.317%0.16932%0.316CS..  trans-62.8153173.228.5-35.4000110.5P81 R116P81-P114 HydrophobicContact CB-CB 3.85Å; P81-P114 HydrophobicContact CG-CB 4.18Å; P114-R116 VanDerWaalsContact C-N 3.26Å; P114-R116 WeakPolarHBondContact CB-O 3.18Å; P114-R116 PolarHBondContact O-N 3.23Å
115R84.8Confident87.6Confident202 Ų20263.6 Ų63.676%0.76231%0.31SS*.SBendtrans-67.8-29.3176.7178.8164.7-173-1783112.2
116R82.1Confident87.5Confident170 Ų17064.3 Ų64.364%0.64232%0.315SS*.SBendtrans-119.6132.4175.7-62.5-173-173.7106.1-4.2108.9P114 Q118 L119P114-R116 VanDerWaalsContact C-N 3.26Å; P114-R116 WeakPolarHBondContact CB-O 3.18Å; P114-R116 PolarHBondContact O-N 3.23Å; R116-Q118 PolarHBondContact O-N 3.47Å; R116-Q118 VanDerWaalsContact O-N 3.15Å; R116-L119 HydrophobicContact CB-CD1 3.67Å; R116-L119 HydrophobicContact CG-CD1 4.16Å
117Q68.1Low87.4Confident192 Ų19266.2 Ų66.290%0.89734%0.337SS*.THydrogen-bonded Turntrans-59.8-25.6-175.9-103.9167.7-26.800114.3
118Q61.6Low87.3Confident188 Ų18869.6 Ų69.688%0.87937%0.366SS*.THydrogen-bonded Turntrans-91.5-1.1-169.8-73.5152.7-27.500115.2R116R116-Q118 PolarHBondContact O-N 3.47Å; R116-Q118 VanDerWaalsContact O-N 3.15Å
119L64Low87.1Confident99 Ų9974 Ų7452%0.51839%0.386SS..SBendtrans-96.3-17.1-165.2-101.3132000116.4R116R116-L119 HydrophobicContact CB-CD1 3.67Å; R116-L119 HydrophobicContact CG-CD1 4.16Å
120A64Low87Confident29 Ų2982.6 Ų82.624%0.2442%0.418CS..  trans-146.9113.5-176.500000112.7P81 L122P81-A120 HydrophobicContact CB-CB 4.05Å; A120-L122 HydrophobicContact CB-CD2 4.48Å; A120-L122 HydrophobicContact CB-CG 4.06Å; A120-L122 PolarHBondContact O-N 2.98Å
121D82.1Confident86.9Confident102 Ų10283 Ų8355%0.54542%0.42SS..  trans-81.172.1166.3-173.32.4000110.4S123 S124 E125D121-S123 PolarHBondContact O-N 3.27Å; D121-S123 WeakPolarHBondContact OD1-CB 3.46Å; D121-S123 PolarHBondContact OD1-N 2.98Å; D121-S124 VanDerWaalsContact CG-OG 3.25Å; D121-S124 PolarHBondContact O-N 3.49Å; D121-S124 PolarHBondContact OD1-N 2.69Å; D121-S124 PolarHBondContact OD1-OG 3.19Å; D121-S124 WeakPolarHBondContact OD2-CB 3.45Å; D121-S124 PolarHBondContact OD2-OG 2.7Å; D121-E125 PolarHBondContact O-N 2.83Å
122L90.7Very high86.9Confident6 Ų683 Ų833%0.03142%0.42CS..Hα-helixtrans-65.3-20.5176.4-68.8172.9000112.4I58 P81 L111 A120 S126 I132 Q134I58-L122 HydrophobicContact CD1-CB 4.32Å; P81-L122 HydrophobicContact CB-CD1 4.04Å; P81-L122 HydrophobicContact CG-CD1 4.23Å; L111-L122 HydrophobicContact CD2-CD1 4.35Å; L111-L122 HydrophobicContact CD2-CD2 3.92Å; A120-L122 HydrophobicContact CB-CD2 4.48Å; A120-L122 HydrophobicContact CB-CG 4.06Å; A120-L122 PolarHBondContact O-N 2.98Å; L122-S126 WeakPolarHBondContact O-CB 3.32Å; L122-S126 PolarHBondContact O-N 3.23Å; L122-I132 HydrophobicContact CD2-CD1 4.28Å; L122-Q134 VanDerWaalsContact CD1-NE2 3.29Å
123S90Very high87Confident86 Ų8683 Ų8360%0.60142%0.421SS*.Hα-helixtrans-69.3-48.5177.9-62.90000110.7D121 S126 A127D121-S123 PolarHBondContact O-N 3.27Å; D121-S123 WeakPolarHBondContact OD1-CB 3.46Å; D121-S123 PolarHBondContact OD1-N 2.98Å; S123-S126 PolarHBondContact O-N 3.31Å; S123-A127 WeakPolarHBondContact O-CB 3.49Å; S123-A127 PolarHBondContact O-N 2.91Å
124S92.6Very high87.1Confident68 Ų6879 Ų7948%0.47640%0.403SS..Hα-helixtrans-64.9-42.1175.4-66.40000111.9D121 S126 A127 A128D121-S124 VanDerWaalsContact CG-OG 3.25Å; D121-S124 PolarHBondContact O-N 3.49Å; D121-S124 PolarHBondContact OD1-N 2.69Å; D121-S124 PolarHBondContact OD1-OG 3.19Å; D121-S124 WeakPolarHBondContact OD2-CB 3.45Å; D121-S124 PolarHBondContact OD2-OG 2.7Å; S124-S126 PolarHBondContact O-N 3.36Å; S124-A127 PolarHBondContact O-N 2.96Å; S124-A128 PolarHBondContact O-N 2.91Å
125E95.1Very high87.4Confident23 Ų2377.8 Ų77.811%0.10740%0.395CS..Hα-helixtrans-60.6-45.5175.3-169.9-174.7164.500111.4L84 R87 R91 D121 A127 A128 H129 I132L84-E125 HydrophobicContact CD1-CG 4.39Å; R87-E125 IonicContact CZ-OE1 3.58Å; R87-E125 IonicContact CZ-OE2 3.43Å; R87-E125 IonicContact NE-OE1 2.79Å; R87-E125 PolarHBondContact NE-OE1 2.88Å; R87-E125 IonicContact NE-OE2 2.69Å; R87-E125 PolarHBondContact NE-OE2 3.28Å; R87-E125 IonicContact NH2-OE1 3.32Å; R87-E125 IonicContact NH2-OE2 2.73Å; R87-E125 PolarHBondContact NH2-OE2 2.88Å; R91-E125 IonicContact CZ-OE1 3.87Å; R91-E125 VanDerWaalsContact CZ-OE1 3.25Å; R91-E125 IonicContact NH1-OE1 3.42Å; R91-E125 PolarHBondContact NH1-OE1 2.81Å; R91-E125 IonicContact NH2-OE1 2.72Å; R91-E125 PolarHBondContact NH2-OE1 3.42Å; D121-E125 PolarHBondContact O-N 2.83Å; E125-A127 VanDerWaalsContact C-N 3.33Å; E125-A127 PolarHBondContact O-N 3.44Å; E125-A128 PolarHBondContact O-N 2.92Å; E125-H129 PolarHBondContact O-CD2 3.44Å; E125-H129 PolarHBondContact O-N 2.93Å; E125-I132 HydrophobicContact CB-CD1 3.98Å; E125-I132 HydrophobicContact CG-CD1 3.73Å
126S94.5Very high87.9Confident17 Ų1770 Ų7012%0.11937%0.372CS..Hα-helixtrans-66-35.6178.1-177.80000112.3I58 L122 S123 S124 A128 R130I58-S126 VanDerWaalsContact CG2-OG 3.28Å; I58-S126 WeakPolarHBondContact CG2-OG 3.46Å; L122-S126 WeakPolarHBondContact O-CB 3.32Å; L122-S126 PolarHBondContact O-N 3.23Å; S123-S126 PolarHBondContact O-N 3.31Å; S124-S126 PolarHBondContact O-N 3.36Å; S126-A128 VanDerWaalsContact C-N 3.32Å; S126-R130 VanDerWaalsContact O-CA 3.27Å; S126-R130 WeakPolarHBondContact O-CA 3.46Å; S126-R130 PolarHBondContact O-N 2.76Å
127A93.8Very high88.5Confident72 Ų7262.6 Ų62.660%0.59534%0.344SS*.Hα-helixtrans-64.8-39.2176.300000111.4S123 S124 E125S123-A127 WeakPolarHBondContact O-CB 3.49Å; S123-A127 PolarHBondContact O-N 2.91Å; S124-A127 PolarHBondContact O-N 2.96Å; E125-A127 VanDerWaalsContact C-N 3.33Å; E125-A127 PolarHBondContact O-N 3.44Å
128A95.2Very high89.8Confident77 Ų7758.2 Ų58.264%0.63632%0.324SS*.Hα-helixtrans-72-46.2179.400000113.1S124 E125 S126S124-A128 PolarHBondContact O-N 2.91Å; E125-A128 PolarHBondContact O-N 2.92Å; S126-A128 VanDerWaalsContact C-N 3.32Å
129H95.6Very high91.4Very high91 Ų9150.5 Ų50.542%0.42129%0.288SS..Hα-helixtrans-103.1-24.3-170.1-64.1-68.6000114.8E125 D131E125-H129 PolarHBondContact O-CD2 3.44Å; E125-H129 PolarHBondContact O-N 2.93Å; H129-D131 VanDerWaalsContact CB-OD1 3.3Å; H129-D131 WeakPolarHBondContact CB-OD1 3.25Å; H129-D131 PolarHBondContact O-N 3.33Å
130R95.4Very high92.9Very high184 Ų18448 Ų4869%0.69428%0.279SS*.  trans50.238.8-178.1-55.5179.9-179.9176.9-1.7113.2N60 S126N60-R130 PolarHBondContact ND2-O 3.18Å; N60-R130 PolarHBondContact OD1-O 2.92Å; S126-R130 VanDerWaalsContact O-CA 3.27Å; S126-R130 WeakPolarHBondContact O-CA 3.46Å; S126-R130 PolarHBondContact O-N 2.76Å
131D96.8Very high94.3Very high10 Ų1050.8 Ų50.85%0.05328%0.284CS..  trans-126.17.5-17962.45.6000113R91 L108 F109 H129R91-D131 IonicContact CZ-OD1 3.42Å; R91-D131 IonicContact CZ-OD2 3.64Å; R91-D131 IonicContact NE-OD1 3.25Å; R91-D131 IonicContact NE-OD2 2.76Å; R91-D131 PolarHBondContact NE-OD2 2.83Å; R91-D131 IonicContact NH2-OD1 2.78Å; R91-D131 PolarHBondContact NH2-OD1 3.42Å; R91-D131 IonicContact NH2-OD2 3.67Å; R91-D131 PolarHBondContact NH2-OD2 3.5Å; L108-D131 CarbonylContact C-O 3.58Å; L108-D131 VanDerWaalsContact CA-O 3.3Å; L108-D131 WeakPolarHBondContact CA-O 3.33Å; L108-D131 HydrophobicContact CD2-CB 4.24Å; F109-D131 HydrophobicContact CD2-CB 4.33Å; F109-D131 WeakPolarHBondContact CE2-OD2 3.29Å; F109-D131 PolarHBondContact N-O 3.46Å; H129-D131 VanDerWaalsContact CB-OD1 3.3Å; H129-D131 WeakPolarHBondContact CB-OD1 3.25Å; H129-D131 PolarHBondContact O-N 3.33Å
132I97.6Very high94.9Very high0 Ų051.6 Ų51.60%028%0.28CS..EExtended strand (participates in β ladder)trans-98.3135.5-177.4-69.9176.8000111.5I58 N60 F109 L111 L122 E125 Q134I58-I132 HydrophobicContact CB-CG2 4.44Å; I58-I132 HydrophobicContact CD1-CG2 4.03Å; I58-I132 HydrophobicContact CG2-CG2 4.26Å; I58-I132 WeakPolarHBondContact CG2-O 3.49Å; N60-I132 WeakPolarHBondContact CB-O 3.03Å; F109-I132 CarbonylContact O-C 3.58Å; L111-I132 HydrophobicContact CD1-CB 4.43Å; L111-I132 HydrophobicContact CD1-CG1 4.25Å; L111-I132 HydrophobicContact CD1-CG2 3.72Å; L122-I132 HydrophobicContact CD2-CD1 4.28Å; E125-I132 HydrophobicContact CB-CD1 3.98Å; E125-I132 HydrophobicContact CG-CD1 3.73Å; I132-Q134 HydrophobicContact CG2-CB 4.37Å
133L97.7Very high95.2Very high1 Ų153.3 Ų53.31%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-116120.1164.2-58.4179.3000108S59 N60 L76 L108 F109 L110 L111 W154S59-L133 VanDerWaalsContact O-CD2 3.23Å; S59-L133 WeakPolarHBondContact O-CD2 3.1Å; N60-L133 HydrophobicContact CB-CD2 3.71Å; L76-L133 HydrophobicContact CD2-CD1 4.22Å; L108-L133 HydrophobicContact CB-CD1 4.35Å; L108-L133 HydrophobicContact CD1-CD1 4.04Å; L108-L133 HydrophobicContact CD1-CG 4.42Å; F109-L133 PolarHBondContact O-N 3.28Å; L110-L133 WeakPolarHBondContact CA-O 3.07Å; L110-L133 HydrophobicContact CD1-CB 3.76Å; L110-L133 HydrophobicContact CD1-CD1 4.48Å; L111-L133 PolarHBondContact N-O 3.03Å; L133-W154 HydrophobicContact CD1-CD2 3.55Å; L133-W154 HydrophobicContact CD1-CE3 3.61Å; L133-W154 HydrophobicContact CD1-CG 3.95Å; L133-W154 HydrophobicContact CD1-CH2 4.49Å; L133-W154 HydrophobicContact CD1-CZ2 4.42Å; L133-W154 HydrophobicContact CD1-CZ3 4.11Å; L133-W154 HydrophobicContact CD2-CD2 3.91Å; L133-W154 VanDerWaalsContact CD2-CE2 3.46Å; L133-W154 HydrophobicContact CD2-CG 4.21Å; L133-W154 HydrophobicContact CD2-CZ2 3.81Å; L133-W154 HydrophobicContact CG-CD2 4.4Å
134Q96.8Very high95.5Very high17 Ų1750.6 Ų50.68%0.07927%0.267CS..EExtended strand (participates in β ladder)trans-120.7123.6-179.9-167.7-174.420.600111L56 L57 I58 L111 G112 L122 I132L56-Q134 CarbonylContact C-O 3.53Å; L56-Q134 VanDerWaalsContact CA-O 3.31Å; L56-Q134 WeakPolarHBondContact CA-O 3.35Å; L57-Q134 HydrophobicContact CB-CB 4.36Å; L57-Q134 HydrophobicContact CB-CG 4.37Å; L57-Q134 HydrophobicContact CD1-CG 4.34Å; L57-Q134 PolarHBondContact N-O 2.93Å; I58-Q134 HydrophobicContact CB-CB 3.83Å; I58-Q134 HydrophobicContact CD1-CB 4.13Å; I58-Q134 HydrophobicContact CG1-CB 4Å; I58-Q134 PolarHBondContact N-O 2.99Å; I58-Q134 PolarHBondContact O-N 3.28Å; L111-Q134 HydrophobicContact CB-CG 4.5Å; L111-Q134 WeakPolarHBondContact O-CA 3.33Å; G112-Q134 PolarHBondContact O-NE2 3.26Å; G112-Q134 VanDerWaalsContact O-NE2 3.1Å; L122-Q134 VanDerWaalsContact CD1-NE2 3.29Å; I132-Q134 HydrophobicContact CG2-CB 4.37Å
135A96.8Very high95.7Very high0 Ų048 Ų480%025%0.249CC..EExtended strand (participates in β ladder)trans-100.9150.6177.100000112.3L56 L111 F137L56-A135 HydrophobicContact CD2-CB 3.95Å; L111-A135 PolarHBondContact O-N 2.94Å; A135-F137 VanDerWaalsContact C-N 3.25Å; A135-F137 HydrophobicContact CB-CD1 3.63Å; A135-F137 HydrophobicContact CB-CE1 3.24Å; A135-F137 HydrophobicContact CB-CZ 4.11Å; A135-F137 PolarHBondContact O-N 3.38Å
136S95.5Very high95.8Very high38 Ų3849.7 Ų49.727%0.26626%0.258SS..EExtended strand (participates in β ladder)trans-83.949.6-170.474.70000114.3R55R55-S136 VanDerWaalsContact CG-OG 3.29Å; R55-S136 WeakPolarHBondContact CG-OG 3.37Å; R55-S136 PolarHBondContact N-OG 2.97Å; R55-S136 VanDerWaalsContact O-CB 3.25Å; R55-S136 WeakPolarHBondContact O-CB 3.43Å; R55-S136 PolarHBondContact O-N 3.12Å; R55-S136 PolarHBondContact O-OG 2.84Å; R55-S136 VanDerWaalsContact O-OG 3.13Å
137F95.3Very high96Very high15 Ų1549.1 Ų49.17%0.06625%0.254CS..EExtended strand (participates in β ladder)trans-129.8156.3173.360.8-99.8000110P54 G112 K113 A135 D139 N143 L146 K147P54-F137 HydrophobicContact CB-CD1 4.08Å; P54-F137 HydrophobicContact CG-CB 4.29Å; P54-F137 HydrophobicContact CG-CD1 3.86Å; G112-F137 CarbonylContact C-O 3.59Å; K113-F137 WeakPolarHBondContact CB-O 3.33Å; K113-F137 PolarHBondContact N-O 2.91Å; A135-F137 VanDerWaalsContact C-N 3.25Å; A135-F137 HydrophobicContact CB-CD1 3.63Å; A135-F137 HydrophobicContact CB-CE1 3.24Å; A135-F137 HydrophobicContact CB-CZ 4.11Å; A135-F137 PolarHBondContact O-N 3.38Å; F137-D139 PolarHBondContact O-N 3.32Å; F137-N143 HydrophobicContact CD2-CB 3.94Å; F137-N143 HydrophobicContact CE2-CB 4.16Å; F137-L146 HydrophobicContact CD1-CB 4.24Å; F137-L146 HydrophobicContact CE1-CB 4.25Å; F137-K147 HydrophobicContact CE1-CB 4.33Å; F137-K147 HydrophobicContact CE2-CB 4.14Å; F137-K147 HydrophobicContact CZ-CB 3.47Å; F137-K147 VanDerWaalsContact CZ-CB 3.47Å; F137-K147 HydrophobicContact CZ-CG 3.91Å
138Q95.2Very high96.2Very high100 Ų10045.9 Ų45.947%0.46723%0.227SC..EExtended strand (participates in β ladder)trans-68.9128.2176.1-179.2177.29.300110.5S140 N143Q138-S140 PolarHBondContact O-N 3.04Å; Q138-N143 PolarHBondContact O-ND2 3.27Å
139D94.7Very high96.3Very high25 Ų2542.6 Ų42.613%0.13420%0.198CC..  trans-70.8128-178.1-156.517.7000112.1A80 P81 K113 F137 K147A80-D139 VanDerWaalsContact CA-OD2 3.28Å; A80-D139 WeakPolarHBondContact CA-OD2 3.3Å; P81-D139 VanDerWaalsContact CD-OD2 3.26Å; P81-D139 WeakPolarHBondContact CD-OD2 3.49Å; P81-D139 HydrophobicContact CG-CB 4.45Å; K113-D139 WeakPolarHBondContact O-CB 3.39Å; K113-D139 PolarHBondContact O-N 2.91Å; F137-D139 PolarHBondContact O-N 3.32Å; D139-K147 WeakPolarHBondContact OD1-CE 3.4Å; D139-K147 IonicContact OD1-NZ 3.2Å; D139-K147 PolarHBondContact OD1-NZ 3.42Å; D139-K147 IonicContact OD2-NZ 3.75Å; D139-K147 PolarHBondContact OD2-NZ 3.13Å
140S95Very high96.5Very high47 Ų4738.4 Ų38.433%0.32918%0.179SC..  trans-163.9158.2178.4730000110.4Q138 R142 N143 L144Q138-S140 PolarHBondContact O-N 3.04Å; S140-R142 PolarHBondContact O-N 2.92Å; S140-N143 PolarHBondContact O-N 2.98Å; S140-N143 PolarHBondContact OG-N 3.19Å; S140-N143 PolarHBondContact OG-ND2 2.87Å; S140-L144 PolarHBondContact O-N 3.36Å
141Y93.9Very high96.6Very high87 Ų8729.6 Ų29.634%0.34115%0.146SC..G310 helixtrans-55.3-40.3176.5-174.3-97.2000112.5N143 L144 R236 H237Y141-N143 PolarHBondContact O-N 3.18Å; Y141-L144 HydrophobicContact CD2-CD1 3.56Å; Y141-L144 HydrophobicContact CE2-CD1 3.71Å; Y141-L144 HydrophobicContact CG-CD1 4.22Å; Y141-L144 WeakPolarHBondContact O-CB 3.39Å; Y141-L144 WeakPolarHBondContact O-CD1 3.48Å; Y141-L144 WeakPolarHBondContact O-CG 3.48Å; Y141-L144 PolarHBondContact O-N 3.35Å; Y141-R236 HydrophobicContact CD1-CB 4.07Å; Y141-R236 HydrophobicContact CD1-CG 4.47Å; Y141-R236 HydrophobicContact CE1-CB 4Å; Y141-R236 HydrophobicContact CE1-CG 3.96Å; Y141-R236 WeakPolarHBondContact CE1-O 3.31Å; Y141-H237 PolarHBondContact OH-CD2 2.9Å; Y141-H237 VanDerWaalsContact OH-CD2 3.24Å; Y141-H237 PolarHBondContact OH-NE2 3.22Å
142R95.1Very high96.7Very high119 Ų11929.2 Ų29.245%0.44914%0.144SC..G310 helixtrans-70.8-16.3179-65.2-172.566.485-2.1113.7S140 P281S140-R142 PolarHBondContact O-N 2.92Å; R142-P281 HydrophobicContact CB-CB 4.36Å
143N96.6Very high96.7Very high43 Ų4332.4 Ų32.423%0.2316%0.161CC..G310 helixtrans-97.17.9176.8-70.9-20.9000113F137 Q138 S140 Y141 T145 L146 K147F137-N143 HydrophobicContact CD2-CB 3.94Å; F137-N143 HydrophobicContact CE2-CB 4.16Å; Q138-N143 PolarHBondContact O-ND2 3.27Å; S140-N143 PolarHBondContact O-N 2.98Å; S140-N143 PolarHBondContact OG-N 3.19Å; S140-N143 PolarHBondContact OG-ND2 2.87Å; Y141-N143 PolarHBondContact O-N 3.18Å; N143-T145 PolarHBondContact O-N 3.14Å; N143-L146 PolarHBondContact O-N 2.8Å; N143-L146 VanDerWaalsContact O-N 3.12Å; N143-K147 PolarHBondContact O-N 2.96Å
144L97.1Very high96.7Very high28 Ų2832.4 Ų32.415%0.14716%0.161CC..Hα-helixtrans-58.7-36176.4-72.1175.9000112.2S140 Y141 L146 K147 T148 E283S140-L144 PolarHBondContact O-N 3.36Å; Y141-L144 HydrophobicContact CD2-CD1 3.56Å; Y141-L144 HydrophobicContact CE2-CD1 3.71Å; Y141-L144 HydrophobicContact CG-CD1 4.22Å; Y141-L144 WeakPolarHBondContact O-CB 3.39Å; Y141-L144 WeakPolarHBondContact O-CD1 3.48Å; Y141-L144 WeakPolarHBondContact O-CG 3.48Å; Y141-L144 PolarHBondContact O-N 3.35Å; L144-L146 VanDerWaalsContact C-N 3.34Å; L144-L146 PolarHBondContact O-N 2.88Å; L144-K147 HydrophobicContact CD2-CD 4.21Å; L144-K147 WeakPolarHBondContact O-CA 3.29Å; L144-K147 WeakPolarHBondContact O-CB 3.25Å; L144-K147 PolarHBondContact O-N 2.84Å; L144-K147 VanDerWaalsContact O-N 3.14Å; L144-T148 PolarHBondContact O-N 3.39Å; L144-E283 HydrophobicContact CB-CB 3.77Å; L144-E283 HydrophobicContact CB-CG 4.25Å
145T97Very high96.7Very high13 Ų1331.6 Ų31.68%0.0816%0.157CC..Hα-helixtrans-58.9-45.4175-52.10000111.6N143 K147 L149 L280 E283 F286N143-T145 PolarHBondContact O-N 3.14Å; T145-K147 VanDerWaalsContact C-N 3.35Å; T145-L149 HydrophobicContact CG2-CD1 4.17Å; T145-L149 WeakPolarHBondContact O-CB 3.43Å; T145-L149 VanDerWaalsContact O-CG 3.32Å; T145-L149 WeakPolarHBondContact O-CG 3.49Å; T145-L149 PolarHBondContact O-N 3.16Å; T145-L280 PolarHBondContact OG1-O 2.76Å; T145-E283 WeakPolarHBondContact OG1-CA 3.35Å; T145-F286 HydrophobicContact CG2-CB 3.82Å; T145-F286 HydrophobicContact CG2-CD1 3.65Å; T145-F286 HydrophobicContact CG2-CD2 3.83Å; T145-F286 HydrophobicContact CG2-CE1 4.2Å; T145-F286 HydrophobicContact CG2-CE2 4.33Å; T145-F286 HydrophobicContact CG2-CG 3.45Å; T145-F286 VanDerWaalsContact CG2-CG 3.45Å
146L96.9Very high96.7Very high60 Ų6034.1 Ų34.131%0.31417%0.17SC..Hα-helixtrans-65.3-40.7175.7-68.2176.5000111.2F137 N143 L144 L149 S150F137-L146 HydrophobicContact CD1-CB 4.24Å; F137-L146 HydrophobicContact CE1-CB 4.25Å; N143-L146 PolarHBondContact O-N 2.8Å; N143-L146 VanDerWaalsContact O-N 3.12Å; L144-L146 VanDerWaalsContact C-N 3.34Å; L144-L146 PolarHBondContact O-N 2.88Å; L146-L149 PolarHBondContact O-N 3.34Å; L146-S150 WeakPolarHBondContact O-CB 3.31Å; L146-S150 PolarHBondContact O-N 3.43Å; L146-S150 PolarHBondContact O-OG 3.45Å; L146-S150 VanDerWaalsContact O-OG 3.13Å
147K98Very high96.7Very high5 Ų538.7 Ų38.72%0.02219%0.185CC..Hα-helixtrans-56.1-57.8175.5-169.9177.8-73.2-173.30110.6C78 T79 L110 F137 D139 N143 L144 T145 L149 S150 G151C78-K147 HydrophobicContact CB-CD 3.95Å; T79-K147 PolarHBondContact O-NZ 2.82Å; L110-K147 HydrophobicContact CD2-CG 3.93Å; L110-K147 VanDerWaalsContact CD2-O 3.24Å; L110-K147 WeakPolarHBondContact CD2-O 3.4Å; L110-K147 HydrophobicContact CG-CD 4.44Å; L110-K147 HydrophobicContact CG-CG 3.72Å; L110-K147 WeakPolarHBondContact O-CD 3.35Å; F137-K147 HydrophobicContact CE1-CB 4.33Å; F137-K147 HydrophobicContact CE2-CB 4.14Å; F137-K147 HydrophobicContact CZ-CB 3.47Å; F137-K147 VanDerWaalsContact CZ-CB 3.47Å; F137-K147 HydrophobicContact CZ-CG 3.91Å; D139-K147 WeakPolarHBondContact OD1-CE 3.4Å; D139-K147 IonicContact OD1-NZ 3.2Å; D139-K147 PolarHBondContact OD1-NZ 3.42Å; D139-K147 IonicContact OD2-NZ 3.75Å; D139-K147 PolarHBondContact OD2-NZ 3.13Å; N143-K147 PolarHBondContact O-N 2.96Å; L144-K147 HydrophobicContact CD2-CD 4.21Å; L144-K147 WeakPolarHBondContact O-CA 3.29Å; L144-K147 WeakPolarHBondContact O-CB 3.25Å; L144-K147 PolarHBondContact O-N 2.84Å; L144-K147 VanDerWaalsContact O-N 3.14Å; T145-K147 VanDerWaalsContact C-N 3.35Å; K147-L149 PolarHBondContact O-N 3.42Å; K147-S150 WeakPolarHBondContact O-CB 3.38Å; K147-S150 PolarHBondContact O-N 3.25Å; K147-G151 PolarHBondContact O-N 2.78Å
148T98.1Very high96.7Very high4 Ų441.2 Ų41.23%0.02520%0.195CC..Hα-helixtrans-57.3-49.1178.5-70.70000111.6L144 S150 G151 L152 Y260 E283 V287L144-T148 PolarHBondContact O-N 3.39Å; T148-S150 VanDerWaalsContact C-N 3.31Å; T148-S150 PolarHBondContact O-N 2.82Å; T148-G151 CarbonylContact O-C 3.45Å; T148-G151 WeakPolarHBondContact O-CA 3.45Å; T148-G151 PolarHBondContact O-N 2.98Å; T148-L152 HydrophobicContact CG2-CD1 3.92Å; T148-L152 HydrophobicContact CG2-CG 3.97Å; T148-L152 WeakPolarHBondContact O-CG 3.4Å; T148-L152 PolarHBondContact O-N 3.06Å; T148-Y260 WeakPolarHBondContact CG2-OH 3.47Å; T148-E283 VanDerWaalsContact CB-OE1 3.25Å; T148-E283 WeakPolarHBondContact CB-OE1 3.41Å; T148-E283 HydrophobicContact CG2-CG 4.28Å; T148-E283 WeakPolarHBondContact CG2-OE1 3.34Å; T148-E283 WeakPolarHBondContact OG1-CG 3.41Å; T148-E283 PolarHBondContact OG1-OE1 3.43Å; T148-V287 HydrophobicContact CG2-CG2 4.16Å
149L97.9Very high96.7Very high7 Ų736.6 Ų36.64%0.03717%0.174CC..Hα-helixtrans-61.5-38.4-179.8-73.1175.7000112.7L51 L53 T145 L146 K147 G151 L152 N153 L271 A274 F286L51-L149 HydrophobicContact CD1-CD1 4.24Å; L51-L149 HydrophobicContact CD1-CD2 4.03Å; L53-L149 HydrophobicContact CD1-CB 4.35Å; L53-L149 HydrophobicContact CD2-CB 3.61Å; L53-L149 HydrophobicContact CD2-CD1 4.18Å; T145-L149 HydrophobicContact CG2-CD1 4.17Å; T145-L149 WeakPolarHBondContact O-CB 3.43Å; T145-L149 VanDerWaalsContact O-CG 3.32Å; T145-L149 WeakPolarHBondContact O-CG 3.49Å; T145-L149 PolarHBondContact O-N 3.16Å; L146-L149 PolarHBondContact O-N 3.34Å; K147-L149 PolarHBondContact O-N 3.42Å; L149-G151 VanDerWaalsContact C-N 3.34Å; L149-L152 PolarHBondContact O-N 3.28Å; L149-N153 WeakPolarHBondContact O-CB 3.21Å; L149-N153 PolarHBondContact O-N 3.26Å; L149-L271 HydrophobicContact CD2-CD2 4.26Å; L149-A274 HydrophobicContact CD2-CB 4.35Å; L149-F286 HydrophobicContact CD1-CE1 3.78Å; L149-F286 HydrophobicContact CD1-CZ 4.07Å; L149-F286 HydrophobicContact CD2-CE1 3.99Å; L149-F286 HydrophobicContact CG-CE1 4.21Å
150S98.1Very high96.7Very high3 Ų338.8 Ų38.82%0.02119%0.189CC..Hα-helixtrans-61.1-42.4172.2-72.50000111.8L146 K147 T148 W154L146-S150 WeakPolarHBondContact O-CB 3.31Å; L146-S150 PolarHBondContact O-N 3.43Å; L146-S150 PolarHBondContact O-OG 3.45Å; L146-S150 VanDerWaalsContact O-OG 3.13Å; K147-S150 WeakPolarHBondContact O-CB 3.38Å; K147-S150 PolarHBondContact O-N 3.25Å; T148-S150 VanDerWaalsContact C-N 3.31Å; T148-S150 PolarHBondContact O-N 2.82Å; S150-W154 WeakPolarHBondContact O-CB 3.19Å; S150-W154 PolarHBondContact O-N 3.07Å
151G98.3Very high96.5Very high0 Ų043.1 Ų43.10%021%0.206CC..Hα-helixtrans-64.1-49.9175.300000112.8K147 T148 L149 N153 W154 V155K147-G151 PolarHBondContact O-N 2.78Å; T148-G151 CarbonylContact O-C 3.45Å; T148-G151 WeakPolarHBondContact O-CA 3.45Å; T148-G151 PolarHBondContact O-N 2.98Å; L149-G151 VanDerWaalsContact C-N 3.34Å; G151-N153 VanDerWaalsContact C-N 3.35Å; G151-N153 PolarHBondContact O-N 3.29Å; G151-W154 WeakPolarHBondContact O-CA 3.48Å; G151-W154 WeakPolarHBondContact O-CB 3.35Å; G151-W154 PolarHBondContact O-N 3.11Å; G151-W154 VanDerWaalsContact O-N 3.11Å; G151-V155 WeakPolarHBondContact O-CG2 3.32Å; G151-V155 PolarHBondContact O-N 2.78Å
152L98.2Very high96.6Very high2 Ų239 Ų391%0.0119%0.19CC..Hα-helixtrans-60.3-43.9178-68.5-168.7000112T148 L149 W154 V155 N156 L262 V267 I270 L271T148-L152 HydrophobicContact CG2-CD1 3.92Å; T148-L152 HydrophobicContact CG2-CG 3.97Å; T148-L152 WeakPolarHBondContact O-CG 3.4Å; T148-L152 PolarHBondContact O-N 3.06Å; L149-L152 PolarHBondContact O-N 3.28Å; L152-W154 VanDerWaalsContact C-N 3.31Å; L152-W154 PolarHBondContact O-N 3.24Å; L152-V155 PolarHBondContact O-N 3.08Å; L152-N156 WeakPolarHBondContact O-CB 3.03Å; L152-N156 PolarHBondContact O-N 3.14Å; L152-L262 HydrophobicContact CD1-CD1 4.08Å; L152-L262 HydrophobicContact CD2-CD1 4.12Å; L152-V267 HydrophobicContact CB-CG1 3.96Å; L152-V267 HydrophobicContact CD2-CG1 4.19Å; L152-V267 HydrophobicContact CD2-CG2 3.9Å; L152-V267 HydrophobicContact CG-CG1 4.49Å; L152-I270 HydrophobicContact CD1-CG2 4.41Å; L152-L271 HydrophobicContact CB-CD2 4.22Å; L152-L271 HydrophobicContact CB-CG 4.49Å
153N97.7Very high96.5Very high66 Ų6634.8 Ų34.835%0.35317%0.174SC..Hα-helixtrans-64.1-37.3175.3-177.264.5000112L53 L149 G151 N156 K157 L271L53-N153 HydrophobicContact CD1-CB 3.44Å; L53-N153 VanDerWaalsContact CD1-CB 3.44Å; L149-N153 WeakPolarHBondContact O-CB 3.21Å; L149-N153 PolarHBondContact O-N 3.26Å; G151-N153 VanDerWaalsContact C-N 3.35Å; G151-N153 PolarHBondContact O-N 3.29Å; N153-N156 PolarHBondContact O-N 3.44Å; N153-K157 WeakPolarHBondContact O-CB 3.19Å; N153-K157 PolarHBondContact O-N 2.97Å; N153-L271 HydrophobicContact CB-CD1 4.46Å; N153-L271 HydrophobicContact CB-CD2 4.19Å
154W97.9Very high96.6Very high2 Ų232.9 Ų32.91%0.00816%0.164CC..Hα-helixtrans-62.2-46.7173.8179.590.6000111.8L56 S59 N60 A63 L74 L108 L133 S150 G151 L152 N156 K157 Y158 C159L56-W154 HydrophobicContact CD1-CB 4.3Å; L56-W154 VanDerWaalsContact CD1-CD1 3.4Å; L56-W154 HydrophobicContact CD1-CG 4.22Å; S59-W154 PolarHBondContact O-NE1 3.25Å; N60-W154 WeakPolarHBondContact O-CZ2 3.2Å; A63-W154 HydrophobicContact CB-CH2 3.83Å; A63-W154 HydrophobicContact CB-CZ2 3.97Å; L74-W154 HydrophobicContact CD2-CZ3 3.88Å; L108-W154 HydrophobicContact CD1-CE3 4.34Å; L108-W154 HydrophobicContact CD1-CH2 3.28Å; L108-W154 HydrophobicContact CD1-CZ2 4.13Å; L108-W154 HydrophobicContact CD1-CZ3 3.41Å; L108-W154 VanDerWaalsContact CD1-CZ3 3.41Å; L133-W154 HydrophobicContact CD1-CD2 3.55Å; L133-W154 HydrophobicContact CD1-CE3 3.61Å; L133-W154 HydrophobicContact CD1-CG 3.95Å; L133-W154 HydrophobicContact CD1-CH2 4.49Å; L133-W154 HydrophobicContact CD1-CZ2 4.42Å; L133-W154 HydrophobicContact CD1-CZ3 4.11Å; L133-W154 HydrophobicContact CD2-CD2 3.91Å; L133-W154 VanDerWaalsContact CD2-CE2 3.46Å; L133-W154 HydrophobicContact CD2-CG 4.21Å; L133-W154 HydrophobicContact CD2-CZ2 3.81Å; L133-W154 HydrophobicContact CG-CD2 4.4Å; S150-W154 WeakPolarHBondContact O-CB 3.19Å; S150-W154 PolarHBondContact O-N 3.07Å; G151-W154 WeakPolarHBondContact O-CA 3.48Å; G151-W154 WeakPolarHBondContact O-CB 3.35Å; G151-W154 PolarHBondContact O-N 3.11Å; G151-W154 VanDerWaalsContact O-N 3.11Å; L152-W154 VanDerWaalsContact C-N 3.31Å; L152-W154 PolarHBondContact O-N 3.24Å; W154-N156 PolarHBondContact O-N 3.4Å; W154-K157 PolarHBondContact O-N 2.89Å; W154-Y158 AromaticContact CD1-CD2 3.22Å; W154-Y158 AromaticContact CD1-CE2 3.47Å; W154-Y158 VanDerWaalsContact CD1-CE2 3.47Å; W154-Y158 HydrophobicContact CD2-CD2 4.13Å; W154-Y158 AromaticContact CE2-CD2 3.77Å; W154-Y158 AromaticContact CG-CD2 3.81Å; W154-Y158 HydrophobicContact CG-CD2 3.81Å; W154-Y158 HydrophobicContact CG-CE2 4.35Å; W154-Y158 AromaticContact NE1-CD2 3.18Å; W154-Y158 AromaticContact NE1-CE2 3.67Å; W154-Y158 AromaticContact NE1-CG 3.98Å; W154-Y158 WeakPolarHBondContact O-CD2 3.09Å; W154-Y158 PolarHBondContact O-N 3.33Å; W154-C159 WeakPolarHBondContact CH2-SG 3.47Å; W154-C159 WeakPolarHBondContact CZ3-SG 2.93Å
155V97.7Very high96.7Very high0 Ų031.7 Ų31.70%016%0.157CC..Hα-helixtrans-58.8-49.5176176.70000110.3L74 L76 G151 L152 K157 Y158 C159 I165 I264L74-V155 HydrophobicContact CD2-CB 4.43Å; L74-V155 HydrophobicContact CD2-CG1 4.24Å; L74-V155 HydrophobicContact CD2-CG2 3.46Å; L74-V155 VanDerWaalsContact CD2-CG2 3.46Å; L76-V155 HydrophobicContact CD1-CG2 3.8Å; L76-V155 HydrophobicContact CD2-CG2 4.4Å; L76-V155 HydrophobicContact CG-CG2 4.42Å; G151-V155 WeakPolarHBondContact O-CG2 3.32Å; G151-V155 PolarHBondContact O-N 2.78Å; L152-V155 PolarHBondContact O-N 3.08Å; V155-K157 PolarHBondContact O-N 3.4Å; V155-Y158 PolarHBondContact O-N 3.01Å; V155-C159 HydrophobicContact CG1-CB 4.16Å; V155-C159 CarbonylContact O-C 3.51Å; V155-C159 VanDerWaalsContact O-CA 3.26Å; V155-C159 WeakPolarHBondContact O-CA 3.38Å; V155-C159 PolarHBondContact O-N 3.24Å; V155-I165 HydrophobicContact CG1-CD1 3.96Å; V155-I165 HydrophobicContact CG1-CG1 3.69Å; V155-I165 HydrophobicContact CG2-CG1 4.33Å; V155-I264 HydrophobicContact CG1-CD1 3.81Å
156N96.1Very high96.8Very high53 Ų5331 Ų3128%0.28315%0.154SC..Hα-helixtrans-58.4-34.1-179.8-176.957.6000112.4L152 N153 W154 Q268 L271L152-N156 WeakPolarHBondContact O-CB 3.03Å; L152-N156 PolarHBondContact O-N 3.14Å; N153-N156 PolarHBondContact O-N 3.44Å; W154-N156 PolarHBondContact O-N 3.4Å; N156-Q268 WeakPolarHBondContact OD1-CG 3.35Å; N156-L271 HydrophobicContact CB-CD1 3.66Å
157K95.5Very high96.8Very high133 Ų13328.4 Ų28.458%0.57814%0.14SC*.Hα-helixtrans-81.8-45.2-178.7-174.2174.2179.7-172.80113.7N153 W154 V155N153-K157 WeakPolarHBondContact O-CB 3.19Å; N153-K157 PolarHBondContact O-N 2.97Å; W154-K157 PolarHBondContact O-N 2.89Å; V155-K157 PolarHBondContact O-N 3.4Å
158Y95.8Very high96.8Very high68 Ų6828.2 Ų28.227%0.26714%0.139SC..Hα-helixtrans-110.4-14.6-169-59.6-71.6000114.1C64 W154 V155 P160C64-Y158 WeakPolarHBondContact CB-O 3.47Å; W154-Y158 AromaticContact CD1-CD2 3.22Å; W154-Y158 AromaticContact CD1-CE2 3.47Å; W154-Y158 VanDerWaalsContact CD1-CE2 3.47Å; W154-Y158 HydrophobicContact CD2-CD2 4.13Å; W154-Y158 AromaticContact CE2-CD2 3.77Å; W154-Y158 AromaticContact CG-CD2 3.81Å; W154-Y158 HydrophobicContact CG-CD2 3.81Å; W154-Y158 HydrophobicContact CG-CE2 4.35Å; W154-Y158 AromaticContact NE1-CD2 3.18Å; W154-Y158 AromaticContact NE1-CE2 3.67Å; W154-Y158 AromaticContact NE1-CG 3.98Å; W154-Y158 WeakPolarHBondContact O-CD2 3.09Å; W154-Y158 PolarHBondContact O-N 3.33Å; V155-Y158 PolarHBondContact O-N 3.01Å; Y158-P160 VanDerWaalsContact C-CD 3.41Å
159C95.7Very high96.8Very high3 Ų329.5 Ų29.52%0.0215%0.145CC..  trans-131.848.7178.5-52.80000112.1C64 W154 V155 M161 A162C64-C159 HydrophobicContact CB-CB 3.86Å; C64-C159 WeakPolarHBondContact CB-SG 3.28Å; C64-C159 WeakPolarHBondContact SG-CB 3.3Å; C64-C159 CovalentContact SG-SG 2.02Å; C64-C159 PolarHBondContact SG-SG 2.89Å; W154-C159 WeakPolarHBondContact CH2-SG 3.47Å; W154-C159 WeakPolarHBondContact CZ3-SG 2.93Å; V155-C159 HydrophobicContact CG1-CB 4.16Å; V155-C159 CarbonylContact O-C 3.51Å; V155-C159 VanDerWaalsContact O-CA 3.26Å; V155-C159 WeakPolarHBondContact O-CA 3.38Å; V155-C159 PolarHBondContact O-N 3.24Å; C159-M161 PolarHBondContact O-N 3.32Å; C159-M161 VanDerWaalsContact O-N 3.1Å; C159-A162 HydrophobicContact CB-CB 4.16Å; C159-A162 VanDerWaalsContact O-CB 3.31Å; C159-A162 WeakPolarHBondContact O-CB 3.39Å; C159-A162 PolarHBondContact O-N 3.43Å
160P93.4Very high96.8Very high71 Ų7129.9 Ų29.946%0.46115%0.148SC..THydrogen-bonded Turntrans-65.9-15.8-175.729.5-37.2000113.7Y158Y158-P160 VanDerWaalsContact C-CD 3.41Å
161M92.3Very high96.8Very high138 Ų13832 Ų3268%0.6816%0.159SC*.THydrogen-bonded Turntrans-94.6-2.2176.8-62.8-176.472.200113.4P70 C159P70-M161 HydrophobicContact CB-CB 3.65Å; P70-M161 WeakPolarHBondContact CB-O 2.98Å; P70-M161 HydrophobicContact CG-CB 4.13Å; P70-M161 HydrophobicContact CG-CE 4.38Å; C159-M161 PolarHBondContact O-N 3.32Å; C159-M161 VanDerWaalsContact O-N 3.1Å
162A94.5Very high96.7Very high1 Ų132 Ų321%0.00816%0.159CC..  trans-61.7143.2171.600000109.5P71 C159 I264P71-A162 HydrophobicContact CG-CB 3.98Å; P71-A162 VanDerWaalsContact O-CA 3.24Å; P71-A162 WeakPolarHBondContact O-CA 3.4Å; C159-A162 HydrophobicContact CB-CB 4.16Å; C159-A162 VanDerWaalsContact O-CB 3.31Å; C159-A162 WeakPolarHBondContact O-CB 3.39Å; C159-A162 PolarHBondContact O-N 3.43Å; A162-I264 WeakPolarHBondContact O-CB 3.39Å; A162-I264 WeakPolarHBondContact O-CG2 3.48Å
163R94.7Very high96.6Very high30 Ų3032.1 Ų32.111%0.11316%0.159CC..  trans-88.7-52-178.8-63.5-17270.785.7-2.4112.1P71 F72 E191 V215 S263 I264P71-R163 PolarHBondContact O-N 3.21Å; F72-R163 HydrophobicContact CD2-CB 4.45Å; R163-E191 IonicContact CZ-OE1 3.58Å; R163-E191 IonicContact CZ-OE2 2.85Å; R163-E191 IonicContact NE-OE1 3.41Å; R163-E191 PolarHBondContact NE-OE1 2.97Å; R163-E191 IonicContact NE-OE2 3.7Å; R163-E191 PolarHBondContact NE-OE2 2.77Å; R163-E191 IonicContact NH2-OE1 3.8Å; R163-E191 PolarHBondContact NH2-OE1 3.39Å; R163-E191 IonicContact NH2-OE2 3.7Å; R163-E191 PolarHBondContact NH2-OE2 2.83Å; R163-V215 HydrophobicContact CB-CG2 4.37Å; R163-V215 HydrophobicContact CG-CG2 4.27Å; R163-S263 CarbonylContact O-C 3.57Å; R163-S263 WeakPolarHBondContact O-CA 3.43Å; R163-I264 PolarHBondContact O-N 3.5Å
164Y97.7Very high96.6Very high4 Ų429 Ų292%0.01614%0.142CC..EExtended strand (participates in β ladder)trans-126.4145.3-177-57.8-76.1000111.7F72 L73 L74 L183 E191 V215 L218 V261 L262F72-Y164 HydrophobicContact CD1-CD2 4.39Å; F72-Y164 HydrophobicContact CD2-CD2 4.44Å; F72-Y164 HydrophobicContact CD2-CE2 4.48Å; F72-Y164 AromaticContact CE1-CD2 3.89Å; F72-Y164 HydrophobicContact CE1-CD2 3.89Å; F72-Y164 HydrophobicContact CE1-CE2 4.25Å; F72-Y164 AromaticContact CE2-CD2 3.96Å; F72-Y164 HydrophobicContact CE2-CD2 3.96Å; F72-Y164 AromaticContact CE2-CE2 3.69Å; F72-Y164 HydrophobicContact CE2-CE2 3.69Å; F72-Y164 AromaticContact CZ-CD2 3.65Å; F72-Y164 HydrophobicContact CZ-CD2 3.65Å; F72-Y164 AromaticContact CZ-CE2 3.54Å; F72-Y164 HydrophobicContact CZ-CE2 3.54Å; F72-Y164 PolarHBondContact O-N 2.74Å; L73-Y164 WeakPolarHBondContact CA-O 3.5Å; L74-Y164 PolarHBondContact N-O 2.83Å; Y164-L183 HydrophobicContact CD1-CD2 4.04Å; Y164-L183 HydrophobicContact CD2-CB 4.17Å; Y164-L183 HydrophobicContact CD2-CD1 4.12Å; Y164-L183 HydrophobicContact CE1-CD2 4.35Å; Y164-L183 HydrophobicContact CE2-CB 4.21Å; Y164-L183 HydrophobicContact CG-CD1 3.93Å; Y164-L183 HydrophobicContact CG-CD2 4.21Å; Y164-L183 HydrophobicContact CG-CG 4.45Å; Y164-E191 PolarHBondContact OH-OE1 3.22Å; Y164-V215 HydrophobicContact CE1-CG1 4.22Å; Y164-L218 HydrophobicContact CD1-CD2 3.97Å; Y164-L218 HydrophobicContact CE1-CB 4.45Å; Y164-L218 HydrophobicContact CE1-CD2 3.69Å; Y164-V261 HydrophobicContact CD1-CG1 4.22Å; Y164-V261 HydrophobicContact CG-CG1 4.47Å; Y164-L262 CarbonylContact C-O 3.53Å
165I98.5Very high96.5Very high2 Ų229.1 Ų29.11%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-124.6115.2179-59.382.3000107.7L74 L76 V155 V261 L262 I264 V267L74-I165 CarbonylContact O-C 3.58Å; L74-I165 VanDerWaalsContact O-CA 3.24Å; L74-I165 WeakPolarHBondContact O-CA 3.37Å; L76-I165 HydrophobicContact CD1-CG2 3.9Å; L76-I165 HydrophobicContact CG-CG2 4.03Å; V155-I165 HydrophobicContact CG1-CD1 3.96Å; V155-I165 HydrophobicContact CG1-CG1 3.69Å; V155-I165 HydrophobicContact CG2-CG1 4.33Å; I165-V261 CarbonylContact O-C 3.58Å; I165-V261 VanDerWaalsContact O-CA 3.3Å; I165-V261 WeakPolarHBondContact O-CA 3.21Å; I165-L262 PolarHBondContact N-O 2.81Å; I165-L262 PolarHBondContact O-N 3.43Å; I165-I264 HydrophobicContact CD1-CB 4.22Å; I165-I264 HydrophobicContact CD1-CD1 4.2Å; I165-V267 HydrophobicContact CD1-CG2 3.88Å; I165-V267 HydrophobicContact CG1-CG2 4.31Å
166L98.8Very high96.5Very high0 Ų029.1 Ų29.10%014%0.143CC..EExtended strand (participates in β ladder)trans-88.8119.7167172.567.8000108.2L73 L74 I75 L76 T168 V174 L179 V261L73-L166 HydrophobicContact CD1-CB 4.03Å; L74-L166 PolarHBondContact O-N 2.98Å; I75-L166 CarbonylContact C-O 3.58Å; I75-L166 WeakPolarHBondContact CA-O 3.29Å; I75-L166 HydrophobicContact CD1-CD2 4.41Å; I75-L166 HydrophobicContact CG1-CB 4.26Å; I75-L166 HydrophobicContact CG1-CD2 4.19Å; I75-L166 HydrophobicContact CG2-CB 4.34Å; I75-L166 HydrophobicContact CG2-CD2 3.82Å; I75-L166 HydrophobicContact CG2-CG 4.2Å; L76-L166 PolarHBondContact N-O 2.85Å; L166-T168 HydrophobicContact CD2-CG2 4.49Å; L166-V174 HydrophobicContact CD2-CB 4.47Å; L166-V174 HydrophobicContact CD2-CG1 3.66Å; L166-V174 HydrophobicContact CD2-CG2 3.95Å; L166-L179 HydrophobicContact CB-CD2 4.48Å; L166-L179 HydrophobicContact CD1-CD2 4.45Å; L166-L179 HydrophobicContact CD2-CD2 3.7Å; L166-L179 HydrophobicContact CG-CD2 4.44Å; L166-V261 HydrophobicContact CB-CG2 4.33Å; L166-V261 HydrophobicContact CD1-CG2 3.87Å
167K98.6Very high96.4Very high5 Ų528.6 Ų28.62%0.02214%0.143CC..EExtended strand (participates in β ladder)trans-89.2134.9160.1-177.5-93.2161.1177.10108C78 D169 G257 G259 Y260 E283C78-K167 VanDerWaalsContact SG-CE 3.55Å; K167-D169 IonicContact NZ-OD1 2.79Å; K167-D169 PolarHBondContact NZ-OD1 3.06Å; K167-D169 IonicContact NZ-OD2 2.65Å; K167-G257 PolarHBondContact NZ-O 3.09Å; K167-G259 WeakPolarHBondContact O-CA 3.42Å; K167-Y260 HydrophobicContact CB-CD2 4.29Å; K167-Y260 HydrophobicContact CB-CE1 4.2Å; K167-Y260 HydrophobicContact CB-CE2 3.73Å; K167-Y260 HydrophobicContact CD-CD1 4.34Å; K167-Y260 HydrophobicContact CD-CE1 3.63Å; K167-Y260 HydrophobicContact CG-CE1 4.28Å; K167-Y260 HydrophobicContact CG-CE2 4.49Å; K167-Y260 PolarHBondContact N-O 3.48Å; K167-Y260 PolarHBondContact O-N 3.25Å; K167-Y260 VanDerWaalsContact O-N 3.08Å; K167-E283 IonicContact NZ-OE2 2.79Å
168T98.4Very high96.3Very high0 Ų024.8 Ų24.80%013%0.127CC..EExtended strand (participates in β ladder)trans-150.4164.3177-169.10000111I75 L76 V77 C78 W94 L166 V172 V174 T258I75-T168 HydrophobicContact CG2-CG2 3.85Å; L76-T168 PolarHBondContact O-N 3.43Å; V77-T168 CarbonylContact C-O 3.56Å; V77-T168 WeakPolarHBondContact CA-O 3.1Å; V77-T168 HydrophobicContact CB-CG2 4.41Å; V77-T168 HydrophobicContact CG2-CG2 3.91Å; C78-T168 PolarHBondContact N-O 3.23Å; W94-T168 HydrophobicContact CH2-CG2 4.2Å; L166-T168 HydrophobicContact CD2-CG2 4.49Å; T168-V172 VanDerWaalsContact OG1-CB 3.28Å; T168-V172 WeakPolarHBondContact OG1-CB 3.4Å; T168-V172 VanDerWaalsContact OG1-CG1 3.27Å; T168-V172 WeakPolarHBondContact OG1-CG1 3.3Å; T168-V174 HydrophobicContact CG2-CG2 4.38Å; T168-T258 PolarHBondContact OG1-O 3.01Å
169D97.7Very high96.3Very high31 Ų3121.5 Ų21.517%0.16611%0.114CC..EExtended strand (participates in β ladder)trans-92.2169.3173.1-60.1-28.2000111.3K167 D171 V172K167-D169 IonicContact NZ-OD1 2.79Å; K167-D169 PolarHBondContact NZ-OD1 3.06Å; K167-D169 IonicContact NZ-OD2 2.65Å; D169-D171 VanDerWaalsContact C-N 3.32Å; D169-D171 WeakPolarHBondContact CB-OD1 3.29Å; D169-V172 HydrophobicContact CB-CG2 4.03Å
170D97.8Very high96.3Very high16 Ų1621.4 Ų21.49%0.08611%0.113CC..THydrogen-bonded Turntrans-84-3.6-176.464.33.2000115.1V77 C78 T79 H83 Q86 I90V77-D170 HydrophobicContact CG1-CB 3.95Å; C78-D170 PolarHBondContact O-N 3.26Å; T79-D170 VanDerWaalsContact CA-OD2 3.29Å; T79-D170 WeakPolarHBondContact CA-OD2 3.49Å; T79-D170 WeakPolarHBondContact CB-OD2 3.46Å; T79-D170 PolarHBondContact OG1-OD2 2.84Å; H83-D170 WeakPolarHBondContact CB-OD2 3.5Å; H83-D170 IonicContact CE1-OD2 2.7Å; H83-D170 IonicContact CG-OD2 2.63Å; H83-D170 IonicContact ND1-OD1 3.52Å; H83-D170 IonicContact ND1-OD2 3.07Å; H83-D170 PolarHBondContact ND1-OD2 3.28Å; Q86-D170 HydrophobicContact CB-CB 4.06Å; I90-D170 HydrophobicContact CD1-CB 4.2Å
171D96.9Very high96.3Very high47 Ų4719.6 Ų19.625%0.25110%0.102SC..THydrogen-bonded Turntrans-10727.2171.569.5-18.5000111.8D169 H325 K326 V327D169-D171 VanDerWaalsContact C-N 3.32Å; D169-D171 WeakPolarHBondContact CB-OD1 3.29Å; D171-H325 CarbonylContact O-C 3.49Å; D171-H325 IonicContact OD1-CD2 3.17Å; D171-H325 PolarHBondContact OD1-CD2 2.68Å; D171-H325 IonicContact OD1-NE2 3.53Å; D171-H325 IonicContact OD2-CD2 3.15Å; D171-H325 IonicContact OD2-NE2 2.75Å; D171-H325 PolarHBondContact OD2-NE2 3.19Å; D171-K326 PolarHBondContact O-N 3.25Å; D171-V327 CarbonylContact C-O 3.44Å; D171-V327 WeakPolarHBondContact CA-O 3.24Å; D171-V327 PolarHBondContact O-N 3.05Å
172V97.3Very high96.3Very high0 Ų013.5 Ų13.50%07%0.072CC..EExtended strand (participates in β ladder)trans-119.9123.4-178.6178.40000110.7W94 T168 D169 V174 T258 T323 S324 H325 M332W94-V172 VanDerWaalsContact CZ2-O 3.29Å; W94-V172 WeakPolarHBondContact CZ2-O 3.19Å; W94-V172 PolarHBondContact NE1-O 2.8Å; T168-V172 VanDerWaalsContact OG1-CB 3.28Å; T168-V172 WeakPolarHBondContact OG1-CB 3.4Å; T168-V172 VanDerWaalsContact OG1-CG1 3.27Å; T168-V172 WeakPolarHBondContact OG1-CG1 3.3Å; D169-V172 HydrophobicContact CB-CG2 4.03Å; V172-V174 HydrophobicContact CG1-CG2 4.34Å; V172-T258 WeakPolarHBondContact CG2-O 3.45Å; V172-T323 HydrophobicContact CG1-CG2 4.2Å; V172-S324 CarbonylContact C-O 3.54Å; V172-S324 VanDerWaalsContact CA-O 3.28Å; V172-S324 WeakPolarHBondContact CA-O 3.31Å; V172-H325 HydrophobicContact CG2-CB 4.23Å; V172-M332 WeakPolarHBondContact O-CE 3.34Å
173Y96.4Very high96.3Very high4 Ų413.4 Ų13.42%0.0167%0.072CC..EExtended strand (participates in β ladder)trans-78.5133.5167.8180-89.7000109.8W94 N175 Y317 T323 S324 M332 A335 W336 V339W94-Y173 AromaticContact CD1-CD2 3.65Å; W94-Y173 AromaticContact CD1-CE2 3.96Å; Y173-N175 HydrophobicContact CE1-CB 4.25Å; Y173-Y317 AromaticContact CD1-CD1 3.88Å; Y173-Y317 HydrophobicContact CD1-CD1 3.88Å; Y173-Y317 HydrophobicContact CD1-CE1 4.34Å; Y173-Y317 HydrophobicContact CE1-CD1 4.21Å; Y173-Y317 HydrophobicContact CG-CD1 4.39Å; Y173-T323 CarbonylContact O-C 3.55Å; Y173-T323 WeakPolarHBondContact O-CA 3.41Å; Y173-S324 PolarHBondContact N-O 3.33Å; Y173-S324 PolarHBondContact O-N 3.39Å; Y173-M332 HydrophobicContact CD2-SD 3.75Å; Y173-M332 HydrophobicContact CG-SD 4.32Å; Y173-A335 HydrophobicContact CD2-CB 3.66Å; Y173-A335 HydrophobicContact CE2-CB 3.83Å; Y173-A335 HydrophobicContact CG-CB 4.18Å; Y173-W336 HydrophobicContact CE2-CB 4.33Å; Y173-W336 HydrophobicContact CE2-CE3 4.41Å; Y173-V339 WeakPolarHBondContact OH-CB 3.43Å
174V97.3Very high96.2Very high0 Ų013.9 Ų13.90%08%0.076CC..EExtended strand (participates in β ladder)trans-118.4121.6177.9-174.70000110.2W94 L166 T168 V172 V176 L179 L322 T323W94-V174 WeakPolarHBondContact CB-O 3.34Å; W94-V174 HydrophobicContact CD2-CB 3.8Å; W94-V174 HydrophobicContact CD2-CG2 4.15Å; W94-V174 HydrophobicContact CE3-CB 3.82Å; W94-V174 HydrophobicContact CE3-CG2 4.12Å; W94-V174 HydrophobicContact CG-CB 4.3Å; W94-V174 HydrophobicContact CH2-CB 4.4Å; W94-V174 HydrophobicContact CH2-CG2 3.79Å; W94-V174 HydrophobicContact CZ2-CB 4.38Å; W94-V174 HydrophobicContact CZ2-CG2 3.79Å; W94-V174 HydrophobicContact CZ3-CB 4.15Å; W94-V174 HydrophobicContact CZ3-CG2 3.97Å; L166-V174 HydrophobicContact CD2-CB 4.47Å; L166-V174 HydrophobicContact CD2-CG1 3.66Å; L166-V174 HydrophobicContact CD2-CG2 3.95Å; T168-V174 HydrophobicContact CG2-CG2 4.38Å; V172-V174 HydrophobicContact CG1-CG2 4.34Å; V174-V176 VanDerWaalsContact C-N 3.31Å; V174-V176 HydrophobicContact CB-CG2 4.34Å; V174-V176 HydrophobicContact CG1-CG2 3.95Å; V174-V176 PolarHBondContact O-N 3.07Å; V174-L179 HydrophobicContact CG1-CD2 4.02Å; V174-L322 WeakPolarHBondContact CA-O 3.23Å; V174-T323 HydrophobicContact CG2-CG2 4.32Å
175N95.6Very high95.9Very high5 Ų520.8 Ų20.83%0.02711%0.108CC..  trans-81.780.2169.8-172.3-18.4000109.7Y173 P177 E178 L179 Y317 G318 L321 L322Y173-N175 HydrophobicContact CE1-CB 4.25Å; N175-P177 WeakPolarHBondContact OD1-CD 3.39Å; N175-E178 HydrophobicContact CB-CB 4.44Å; N175-E178 WeakPolarHBondContact ND2-CG 3.36Å; N175-E178 PolarHBondContact O-N 2.81Å; N175-E178 PolarHBondContact OD1-N 2.79Å; N175-L179 WeakPolarHBondContact O-CB 3.28Å; N175-L179 PolarHBondContact O-N 2.97Å; N175-Y317 PolarHBondContact ND2-O 2.75Å; N175-G318 PolarHBondContact ND2-O 3.04Å; N175-L321 WeakPolarHBondContact CB-O 3.5Å; N175-L322 PolarHBondContact N-O 3.06Å
176V96.6Very high95.4Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-55.1-45.8-174.7176.60000113.1I75 W94 I97 A100 V105 V174 E178 L179 V180I75-V176 HydrophobicContact CD1-CG2 3.79Å; W94-V176 HydrophobicContact CB-CG2 4.31Å; W94-V176 HydrophobicContact CE3-CG2 4.05Å; I97-V176 HydrophobicContact CB-CG1 4.39Å; I97-V176 HydrophobicContact CD1-CB 3.83Å; I97-V176 HydrophobicContact CD1-CG1 4.39Å; I97-V176 HydrophobicContact CD1-CG2 4.24Å; I97-V176 HydrophobicContact CG2-CG1 3.97Å; A100-V176 HydrophobicContact CB-CG1 4.12Å; V105-V176 HydrophobicContact CB-CG1 4.3Å; V105-V176 HydrophobicContact CG1-CG1 3.82Å; V105-V176 HydrophobicContact CG2-CG1 3.9Å; V174-V176 VanDerWaalsContact C-N 3.31Å; V174-V176 HydrophobicContact CB-CG2 4.34Å; V174-V176 HydrophobicContact CG1-CG2 3.95Å; V174-V176 PolarHBondContact O-N 3.07Å; V176-E178 PolarHBondContact O-N 3.24Å; V176-L179 PolarHBondContact O-N 3.12Å; V176-V180 HydrophobicContact CG1-CG2 4.32Å; V176-V180 VanDerWaalsContact O-CG2 3.29Å; V176-V180 WeakPolarHBondContact O-CG2 3.41Å; V176-V180 PolarHBondContact O-N 3.36Å
177P94.6Very high94.6Very high42 Ų4224.5 Ų24.527%0.27313%0.125SC..Hα-helixtrans-61.3-40.7179-25.636.1000114.4I97 N175 S181I97-P177 HydrophobicContact CD1-CG 4.41Å; N175-P177 WeakPolarHBondContact OD1-CD 3.39Å; P177-S181 PolarHBondContact O-N 3.14Å; P177-S181 VanDerWaalsContact O-N 3.13Å; P177-S181 PolarHBondContact O-OG 2.93Å
178E93Very high93.2Very high53 Ų5325.5 Ų25.525%0.24814%0.137CC..Hα-helixtrans-75.5-33.6178.2-65.3-53.5118.100111.5R101 N175 V176 S181 E182 L322R101-E178 IonicContact CZ-OE1 3.94Å; R101-E178 IonicContact NH2-OE1 2.77Å; R101-E178 PolarHBondContact NH2-OE1 3.33Å; N175-E178 HydrophobicContact CB-CB 4.44Å; N175-E178 WeakPolarHBondContact ND2-CG 3.36Å; N175-E178 PolarHBondContact O-N 2.81Å; N175-E178 PolarHBondContact OD1-N 2.79Å; V176-E178 PolarHBondContact O-N 3.24Å; E178-S181 WeakPolarHBondContact O-CB 3.39Å; E178-S181 PolarHBondContact O-N 3.09Å; E178-E182 PolarHBondContact O-N 3.34Å; E178-L322 VanDerWaalsContact C-CD2 3.44Å; E178-L322 HydrophobicContact CB-CD2 3.72Å
179L96.2Very high91.1Very high0 Ų030.8 Ų30.80%017%0.171CC..Hα-helixtrans-64.3-43.9174.6178.260.8000111.3L73 L166 V174 N175 V176 S181 E182 L183 V261 L322L73-L179 HydrophobicContact CD2-CD2 3.81Å; L73-L179 HydrophobicContact CD2-CG 4.23Å; L166-L179 HydrophobicContact CB-CD2 4.48Å; L166-L179 HydrophobicContact CD1-CD2 4.45Å; L166-L179 HydrophobicContact CD2-CD2 3.7Å; L166-L179 HydrophobicContact CG-CD2 4.44Å; V174-L179 HydrophobicContact CG1-CD2 4.02Å; N175-L179 WeakPolarHBondContact O-CB 3.28Å; N175-L179 PolarHBondContact O-N 2.97Å; V176-L179 PolarHBondContact O-N 3.12Å; L179-S181 VanDerWaalsContact C-N 3.28Å; L179-S181 PolarHBondContact O-N 3.19Å; L179-E182 WeakPolarHBondContact O-CB 3.4Å; L179-E182 PolarHBondContact O-N 3.32Å; L179-L183 HydrophobicContact CD1-CD1 4.34Å; L179-L183 HydrophobicContact CD1-CG 4.36Å; L179-L183 HydrophobicContact CG-CD1 4.21Å; L179-L183 VanDerWaalsContact O-CG 3.31Å; L179-L183 WeakPolarHBondContact O-CG 3.27Å; L179-L183 PolarHBondContact O-N 2.99Å; L179-V261 HydrophobicContact CD1-CG2 4.1Å; L179-L322 HydrophobicContact CB-CD2 4.22Å; L179-L322 HydrophobicContact CD1-CB 4.48Å; L179-L322 HydrophobicContact CD1-CD1 3.91Å
180V95.7Very high89.2Confident0 Ų030.7 Ų30.70%017%0.173CC..Hα-helixtrans-62.1-40.3174.7170.30000110.6F72 L73 A100 R101 F103 V105 V176 E182 L183 I184F72-V180 HydrophobicContact CD1-CG1 4.17Å; F72-V180 HydrophobicContact CD1-CG2 4.45Å; F72-V180 HydrophobicContact CE1-CB 4.48Å; F72-V180 HydrophobicContact CE1-CG1 3.93Å; L73-V180 HydrophobicContact CD2-CG2 4.02Å; A100-V180 HydrophobicContact CB-CB 4.21Å; A100-V180 HydrophobicContact CB-CG1 4.47Å; A100-V180 HydrophobicContact CB-CG2 3.89Å; R101-V180 HydrophobicContact CB-CG1 4.03Å; R101-V180 HydrophobicContact CG-CG1 4.17Å; F103-V180 HydrophobicContact CB-CG1 4.23Å; F103-V180 HydrophobicContact CD2-CG1 4.19Å; V105-V180 HydrophobicContact CG2-CG2 3.93Å; V176-V180 HydrophobicContact CG1-CG2 4.32Å; V176-V180 VanDerWaalsContact O-CG2 3.29Å; V176-V180 WeakPolarHBondContact O-CG2 3.41Å; V176-V180 PolarHBondContact O-N 3.36Å; V180-E182 PolarHBondContact O-N 3Å; V180-L183 PolarHBondContact O-N 2.67Å; V180-I184 HydrophobicContact CG1-CD1 3.77Å; V180-I184 HydrophobicContact CG1-CG1 4.36Å; V180-I184 WeakPolarHBondContact O-CD1 3.29Å; V180-I184 VanDerWaalsContact O-CG1 3.23Å; V180-I184 WeakPolarHBondContact O-CG1 3.22Å; V180-I184 PolarHBondContact O-N 3.31Å
181S93.4Very high87.3Confident33 Ų3330 Ų3023%0.23117%0.169CC..Hα-helixtrans-61.9-42.2176.4-52.60000112.1R101 P177 E178 L179 Q185R101-S181 PolarHBondContact NE-OG 3.3Å; P177-S181 PolarHBondContact O-N 3.14Å; P177-S181 VanDerWaalsContact O-N 3.13Å; P177-S181 PolarHBondContact O-OG 2.93Å; E178-S181 WeakPolarHBondContact O-CB 3.39Å; E178-S181 PolarHBondContact O-N 3.09Å; L179-S181 VanDerWaalsContact C-N 3.28Å; L179-S181 PolarHBondContact O-N 3.19Å; S181-Q185 PolarHBondContact O-N 3.23Å; S181-Q185 VanDerWaalsContact O-N 3.14Å
182E92.7Very high85.1Confident10 Ų1034.9 Ų34.95%0.04719%0.191CC..Hα-helixtrans-61.4-43.9174.7-176.271.2-16200111.9E178 L179 V180 Q185 R186 L220 K303 L322E178-E182 PolarHBondContact O-N 3.34Å; L179-E182 WeakPolarHBondContact O-CB 3.4Å; L179-E182 PolarHBondContact O-N 3.32Å; V180-E182 PolarHBondContact O-N 3Å; E182-Q185 PolarHBondContact O-N 2.93Å; E182-R186 WeakPolarHBondContact O-CG 3.23Å; E182-R186 PolarHBondContact O-N 2.85Å; E182-R186 IonicContact OE1-CZ 3.57Å; E182-R186 IonicContact OE1-NE 3.18Å; E182-R186 PolarHBondContact OE1-NE 2.85Å; E182-R186 IonicContact OE1-NH2 3.5Å; E182-R186 PolarHBondContact OE1-NH2 3.24Å; E182-L220 HydrophobicContact CG-CD2 4.48Å; E182-K303 IonicContact OE2-NZ 2.9Å; E182-K303 PolarHBondContact OE2-NZ 2.81Å; E182-L322 HydrophobicContact CB-CD1 4.02Å; E182-L322 HydrophobicContact CG-CD1 3.89Å
183L94.9Very high82.4Confident0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-69.9-38-178.8-66.8172.6000112.5F72 L73 Y164 L179 V180 Q185 R186 G187 L218 L220 V261F72-L183 HydrophobicContact CE1-CB 3.9Å; F72-L183 HydrophobicContact CE1-CD1 4.28Å; F72-L183 HydrophobicContact CZ-CB 3.9Å; L73-L183 HydrophobicContact CD1-CD1 4.02Å; Y164-L183 HydrophobicContact CD1-CD2 4.04Å; Y164-L183 HydrophobicContact CD2-CB 4.17Å; Y164-L183 HydrophobicContact CD2-CD1 4.12Å; Y164-L183 HydrophobicContact CE1-CD2 4.35Å; Y164-L183 HydrophobicContact CE2-CB 4.21Å; Y164-L183 HydrophobicContact CG-CD1 3.93Å; Y164-L183 HydrophobicContact CG-CD2 4.21Å; Y164-L183 HydrophobicContact CG-CG 4.45Å; L179-L183 HydrophobicContact CD1-CD1 4.34Å; L179-L183 HydrophobicContact CD1-CG 4.36Å; L179-L183 HydrophobicContact CG-CD1 4.21Å; L179-L183 VanDerWaalsContact O-CG 3.31Å; L179-L183 WeakPolarHBondContact O-CG 3.27Å; L179-L183 PolarHBondContact O-N 2.99Å; V180-L183 PolarHBondContact O-N 2.67Å; L183-Q185 VanDerWaalsContact C-N 3.31Å; L183-Q185 PolarHBondContact O-N 3.14Å; L183-R186 PolarHBondContact O-N 3.43Å; L183-G187 PolarHBondContact O-N 3.02Å; L183-L218 HydrophobicContact CD2-CD2 3.74Å; L183-L220 HydrophobicContact CD2-CD2 4.45Å; L183-V261 HydrophobicContact CD1-CG1 4.29Å; L183-V261 HydrophobicContact CD2-CB 4.45Å; L183-V261 HydrophobicContact CD2-CG1 3.85Å
184I92.7Very high80.1Confident40 Ų4047.3 Ų47.321%0.20524%0.242CC..Hα-helixtrans-59.1-45.6172.3-67.3159.9000110.1F72 R101 F103 V180 R186 G187 E191F72-I184 HydrophobicContact CE2-CG1 4.46Å; F72-I184 HydrophobicContact CZ-CG1 3.93Å; R101-I184 HydrophobicContact CB-CD1 4.14Å; F103-I184 HydrophobicContact CD2-CD1 3.61Å; F103-I184 HydrophobicContact CD2-CG1 4.14Å; F103-I184 HydrophobicContact CE2-CD1 3.34Å; F103-I184 HydrophobicContact CE2-CG1 3.69Å; F103-I184 HydrophobicContact CZ-CD1 4.33Å; F103-I184 HydrophobicContact CZ-CG1 4.22Å; V180-I184 HydrophobicContact CG1-CD1 3.77Å; V180-I184 HydrophobicContact CG1-CG1 4.36Å; V180-I184 WeakPolarHBondContact O-CD1 3.29Å; V180-I184 VanDerWaalsContact O-CG1 3.23Å; V180-I184 WeakPolarHBondContact O-CG1 3.22Å; V180-I184 PolarHBondContact O-N 3.31Å; I184-R186 VanDerWaalsContact C-N 3.31Å; I184-R186 PolarHBondContact O-N 3.27Å; I184-G187 PolarHBondContact O-N 2.81Å; I184-E191 HydrophobicContact CG2-CB 4.4Å
185Q90.1Very high77.6Confident149 Ų14954.1 Ų54.170%0.69627%0.271SS*.Hα-helixtrans-62-39.2179.4-173177.420.100111.9S181 E182 L183S181-Q185 PolarHBondContact O-N 3.23Å; S181-Q185 VanDerWaalsContact O-N 3.14Å; E182-Q185 PolarHBondContact O-N 2.93Å; L183-Q185 VanDerWaalsContact C-N 3.31Å; L183-Q185 PolarHBondContact O-N 3.14Å
186R88.6Confident74.8Confident70 Ų7056 Ų5626%0.26429%0.292SS..Hα-helixtrans-77.1-31.5-179.4-70.3-179.7-177.3-89.4-4.6113.9E31 E182 L183 I184 G188E31-R186 IonicContact OE1-NH2 3.66Å; E31-R186 PolarHBondContact OE1-NH2 2.82Å; E31-R186 IonicContact OE2-CZ 3.42Å; E31-R186 IonicContact OE2-NH1 3.33Å; E31-R186 PolarHBondContact OE2-NH1 2.91Å; E31-R186 IonicContact OE2-NH2 3.51Å; E31-R186 PolarHBondContact OE2-NH2 3.49Å; E182-R186 WeakPolarHBondContact O-CG 3.23Å; E182-R186 PolarHBondContact O-N 2.85Å; E182-R186 IonicContact OE1-CZ 3.57Å; E182-R186 IonicContact OE1-NE 3.18Å; E182-R186 PolarHBondContact OE1-NE 2.85Å; E182-R186 IonicContact OE1-NH2 3.5Å; E182-R186 PolarHBondContact OE1-NH2 3.24Å; L183-R186 PolarHBondContact O-N 3.43Å; I184-R186 VanDerWaalsContact C-N 3.31Å; I184-R186 PolarHBondContact O-N 3.27Å; R186-G188 PolarHBondContact O-N 3.22Å
187G82.4Confident72Confident9 Ų959.6 Ų59.69%0.09331%0.308CS..Hα-helixtrans-73.7-9.1178.400000114.8L183 I184 S190L183-G187 PolarHBondContact O-N 3.02Å; I184-G187 PolarHBondContact O-N 2.81Å; G187-S190 PolarHBondContact O-OG 2.92Å
188G69Low69.5Low27 Ų2765 Ų6528%0.27833%0.33SS..THydrogen-bonded Turntrans71.3-165.6175.900000114.4R186 S190 E191R186-G188 PolarHBondContact O-N 3.22Å; G188-S190 PolarHBondContact O-N 2.92Å; G188-E191 PolarHBondContact O-N 2.86Å; G188-E191 VanDerWaalsContact O-N 3.11Å
189P55Low67Low111 Ų11166.6 Ų66.672%0.72135%0.352SS*.Hα-helixtrans-56-26.6-174-26.334.3000114.6E191 Q192 W193P189-E191 PolarHBondContact O-N 3.07Å; P189-Q192 PolarHBondContact O-N 2.99Å; P189-Q192 VanDerWaalsContact O-N 3.14Å; P189-W193 PolarHBondContact O-N 3.41Å
190S57.3Low63.9Low29 Ų2974.5 Ų74.520%0.20339%0.389CS..Hα-helixtrans-59.6-30.7179.178.40000113.5G187 G188G187-S190 PolarHBondContact O-OG 2.92Å; G188-S190 PolarHBondContact O-N 2.92Å
191E57.8Low61.1Low0 Ų080.9 Ų80.90%042%0.419CS..Hα-helixtrans-78.8-32.4178.1-58.2-65.9178.400111.8F72 R163 Y164 I184 G188 P189 W193F72-E191 WeakPolarHBondContact CE2-OE2 3.29Å; R163-E191 IonicContact CZ-OE1 3.58Å; R163-E191 IonicContact CZ-OE2 2.85Å; R163-E191 IonicContact NE-OE1 3.41Å; R163-E191 PolarHBondContact NE-OE1 2.97Å; R163-E191 IonicContact NE-OE2 3.7Å; R163-E191 PolarHBondContact NE-OE2 2.77Å; R163-E191 IonicContact NH2-OE1 3.8Å; R163-E191 PolarHBondContact NH2-OE1 3.39Å; R163-E191 IonicContact NH2-OE2 3.7Å; R163-E191 PolarHBondContact NH2-OE2 2.83Å; Y164-E191 PolarHBondContact OH-OE1 3.22Å; I184-E191 HydrophobicContact CG2-CB 4.4Å; G188-E191 PolarHBondContact O-N 2.86Å; G188-E191 VanDerWaalsContact O-N 3.11Å; P189-E191 PolarHBondContact O-N 3.07Å; E191-W193 PolarHBondContact O-N 2.88Å
192Q50.7Low58.3Low150 Ų15088.2 Ų88.270%0.70145%0.449SS*.Hα-helixtrans-71.4-24.8178.2-158.7158.85.700111.6P189 K195P189-Q192 PolarHBondContact O-N 2.99Å; P189-Q192 VanDerWaalsContact O-N 3.14Å; Q192-K195 PolarHBondContact O-N 2.87Å
193W40Very low55.2Low171 Ų17193.6 Ų93.665%0.64848%0.483SS*.Hα-helixtrans-72.3-31179.5-138.663.9000113.5P189 E191 K195 G196 K197P189-W193 PolarHBondContact O-N 3.41Å; E191-W193 PolarHBondContact O-N 2.88Å; W193-K195 PolarHBondContact O-N 2.75Å; W193-G196 PolarHBondContact O-N 3.36Å; W193-K197 HydrophobicContact CZ3-CD 4.37Å
194Q48.7Very low52Low95 Ų9599.8 Ų99.844%0.44452%0.521SS..Hα-helixtrans-64.4-29.7175.5-71-168.2-30.200112.5G196Q194-G196 VanDerWaalsContact C-N 3.3Å; Q194-G196 PolarHBondContact O-N 3.4Å
195K43.6Very low49.2Very low142 Ų142102.5 Ų102.562%0.61755%0.549SS*.Hα-helixtrans-71.6-23.4177.6-158176.1-176.8177.30113.5Q192 W193Q192-K195 PolarHBondContact O-N 2.87Å; W193-K195 PolarHBondContact O-N 2.75Å
196G37.7Very low46.4Very low46 Ų46103.1 Ų103.147%0.47456%0.555SS.*Hα-helixtrans-85-26.4-175.500000114.7W193 Q194W193-G196 PolarHBondContact O-N 3.36Å; Q194-G196 VanDerWaalsContact C-N 3.3Å; Q194-G196 PolarHBondContact O-N 3.4Å
197K38.1Very low43.4Very low74 Ų74107.7 Ų107.732%0.32258%0.58SS.*Hα-helixtrans-85-24.1-176.2-80.7-164.3166.9-151.60114.9W193 A199 Q200 E201W193-K197 HydrophobicContact CZ3-CD 4.37Å; K197-A199 PolarHBondContact O-N 3.05Å; K197-A199 VanDerWaalsContact O-N 3.16Å; K197-Q200 CarbonylContact O-C 3.58Å; K197-Q200 PolarHBondContact O-N 2.95Å; K197-E201 WeakPolarHBondContact CE-OE1 3.46Å; K197-E201 IonicContact NZ-OE1 3.22Å; K197-E201 PolarHBondContact NZ-OE1 3.08Å; K197-E201 IonicContact NZ-OE2 3.43Å
198E42.5Very low40.8Very low156 Ų156116.1 Ų116.173%0.72962%0.616SS**THydrogen-bonded Turntrans-63.9-18.8172.7-75.2-177.7169.900112.7
199A39Very low39.2Very low86 Ų86122.9 Ų122.971%0.71164%0.641SS**THydrogen-bonded Turntrans-85.7-12.1174.200000114K197K197-A199 PolarHBondContact O-N 3.05Å; K197-A199 VanDerWaalsContact O-N 3.16Å
200Q33.1Very low38.3Very low167 Ų167125.7 Ų125.778%0.7864%0.644SS**SBendtrans-156.363.1-166.3-118.8176.9-25.200112.6K197K197-Q200 CarbonylContact O-C 3.58Å; K197-Q200 PolarHBondContact O-N 2.95Å
201E36Very low37.5Very low134 Ų134135 Ų13563%0.62668%0.675SS**  trans-153.471.3164.6-117.4164.5-149.900111K197K197-E201 WeakPolarHBondContact CE-OE1 3.46Å; K197-E201 IonicContact NZ-OE1 3.22Å; K197-E201 PolarHBondContact NZ-OE1 3.08Å; K197-E201 IonicContact NZ-OE2 3.43Å
202E33.7Very low37.3Very low187 Ų187138 Ų13887%0.87471%0.706SS**SBendtrans-119.151.7161.5-160.3171.8-138.100108.5
203T28.8Very low37.7Very low122 Ų122138 Ų13875%0.74871%0.706SS**SBendtrans-172.2139.1160.63.30000113.6
204T28.1Very low39.1Very low131 Ų131133.7 Ų133.780%0.80471%0.707SS**  trans82.9104.1165.660.90000119I206T204-I206 PolarHBondContact O-N 2.78Å
205A33.2Very low40.6Very low96 Ų96129.9 Ų129.979%0.79369%0.69SS**  trans-68.1116.3162.700000110.8
206I31Very low42.7Very low162 Ų162126.6 Ų126.683%0.83168%0.683SS**  trans-127.1117.9151.7-64.7-179.6000106.1T204T204-I206 PolarHBondContact O-N 2.78Å
207H26.4Very low45.3Very low167 Ų167128.8 Ų128.877%0.77368%0.683SS**  trans-60.9154171.5-85.8-116.2000111
208E28.2Very low48Very low185 Ų185126.2 Ų126.286%0.86467%0.673SS**SBendtrans101.4106.7166.3-61.9174.4159.100117.5
209E33.9Very low50.6Low170 Ų170118.8 Ų118.879%0.79464%0.638SS**  trans74.542141.5-139.7168.4-155.900120.3R211E209-R211 PolarHBondContact O-N 3.02Å
210H35.6Very low53.3Low169 Ų169114.7 Ų114.778%0.78261%0.605SS**  trans-87.955.2149.7-75.572.7000110.9G212H210-G212 PolarHBondContact O-N 2.84Å
211R41.2Very low56.3Low225 Ų225106.8 Ų106.885%0.84957%0.567SS**  trans-60.797.3161.1-161.2177.6-170.21712.9105.3E209E209-R211 PolarHBondContact O-N 3.02Å
212G54.8Low59.1Low64 Ų64101 Ų10166%0.6654%0.54SS*.  trans-40.6135.1-158.700000114.2H210 A214H210-G212 PolarHBondContact O-N 2.84Å; G212-A214 PolarHBondContact O-N 2.68Å; G212-A214 VanDerWaalsContact O-N 3.14Å
213Q57.6Low61.9Low149 Ų14992.5 Ų92.570%0.69650%0.501SS*.  trans-42.5121.9177.3-172.9160.65.200110.7V215Q213-V215 PolarHBondContact O-N 3.1Å
214A70Confident65Low81 Ų8189.4 Ų89.467%0.66948%0.478SS*.PPolyproline II helixtrans-53.8127.1-172.400000110.5G212 P216G212-A214 PolarHBondContact O-N 2.68Å; G212-A214 VanDerWaalsContact O-N 3.14Å; A214-P216 WeakPolarHBondContact O-CD 3.41Å
215V81.2Confident68Low14 Ų1487.1 Ų87.19%0.08545%0.454CS..PPolyproline II helixtrans-63.9123.1175.3-175.20000107.4R163 Y164 Q213 I264 S265R163-V215 HydrophobicContact CB-CG2 4.37Å; R163-V215 HydrophobicContact CG-CG2 4.27Å; Y164-V215 HydrophobicContact CE1-CG1 4.22Å; Q213-V215 PolarHBondContact O-N 3.1Å; V215-I264 HydrophobicContact CB-CG2 4.08Å; V215-I264 HydrophobicContact CG2-CG2 3.83Å; V215-S265 WeakPolarHBondContact O-CB 3.27Å; V215-S265 PolarHBondContact O-OG 3.33Å; V215-S265 VanDerWaalsContact O-OG 3.11Å
216P87.2Confident70.8Confident73 Ų7392.9 Ų92.947%0.47446%0.456SS..PPolyproline II helixtrans-55.2144.3177.3-25.634.5000111.3A214 L218 S263A214-P216 WeakPolarHBondContact O-CD 3.41Å; P216-L218 PolarHBondContact O-N 3.17Å; P216-S263 VanDerWaalsContact O-CB 3.29Å; P216-S263 WeakPolarHBondContact O-CB 3.39Å; P216-S263 PolarHBondContact O-OG 3.28Å
217L92.2Very high73.9Confident92 Ų9287.4 Ų87.448%0.48243%0.43SS..  trans-60.1115.2175.9-73.9171.1000109.8S265 A266 L269 L296L217-S265 VanDerWaalsContact CD2-C 3.49Å; L217-A266 HydrophobicContact CD2-CB 4.14Å; L217-L269 HydrophobicContact CD1-CD2 4.35Å; L217-L269 HydrophobicContact CD2-CB 4.39Å; L217-L269 HydrophobicContact CD2-CD2 4.14Å; L217-L296 HydrophobicContact CB-CD1 4Å
218L94.7Very high77.2Confident21 Ų2187.4 Ų87.411%0.1142%0.423CS..  trans-126.1129.8173.5-175.867000110Y164 L183 P216 L220 L262 S263 A266Y164-L218 HydrophobicContact CD1-CD2 3.97Å; Y164-L218 HydrophobicContact CE1-CB 4.45Å; Y164-L218 HydrophobicContact CE1-CD2 3.69Å; L183-L218 HydrophobicContact CD2-CD2 3.74Å; P216-L218 PolarHBondContact O-N 3.17Å; L218-L220 HydrophobicContact CD1-CB 4.16Å; L218-L220 HydrophobicContact CD2-CB 4.36Å; L218-L220 HydrophobicContact CG-CB 4.15Å; L218-L262 CarbonylContact O-C 3.54Å; L218-L262 WeakPolarHBondContact O-CA 3.28Å; L218-S263 PolarHBondContact N-OG 3.27Å; L218-S263 PolarHBondContact O-N 3.29Å; L218-S263 PolarHBondContact O-OG 2.75Å; L218-A266 VanDerWaalsContact O-CB 3.28Å; L218-A266 WeakPolarHBondContact O-CB 3.32Å
219Y96.7Very high80.5Confident0 Ų079.4 Ų79.40%039%0.387CS..EExtended strand (participates in β ladder)trans-131.2100.5163.6178-158.8000107.3A255 Y260 V261 L262 V287 A291 P298 T299Y219-A255 HydrophobicContact CD2-CB 4.36Å; Y219-A255 HydrophobicContact CE2-CB 3.47Å; Y219-A255 VanDerWaalsContact CE2-CB 3.47Å; Y219-A255 WeakPolarHBondContact OH-CB 3.44Å; Y219-A255 PolarHBondContact OH-N 2.81Å; Y219-Y260 HydrophobicContact CD2-CD2 4.4Å; Y219-Y260 AromaticContact CE2-CD2 3.86Å; Y219-Y260 HydrophobicContact CE2-CD2 3.86Å; Y219-Y260 AromaticContact CE2-CG 3.98Å; Y219-Y260 HydrophobicContact CE2-CG 3.98Å; Y219-V261 CarbonylContact C-O 3.4Å; Y219-V261 WeakPolarHBondContact CA-O 3.45Å; Y219-L262 HydrophobicContact CD2-CD2 3.35Å; Y219-L262 HydrophobicContact CD2-CG 4.39Å; Y219-L262 HydrophobicContact CE2-CD2 4.01Å; Y219-L262 HydrophobicContact CG-CD2 3.74Å; Y219-V287 HydrophobicContact CE1-CG1 4.44Å; Y219-V287 HydrophobicContact CE2-CG1 4.15Å; Y219-A291 HydrophobicContact CD1-CB 3.82Å; Y219-A291 HydrophobicContact CE1-CB 3.94Å; Y219-P298 HydrophobicContact CD1-CB 3.55Å; Y219-P298 HydrophobicContact CD1-CG 4.33Å; Y219-P298 HydrophobicContact CE1-CB 3.64Å; Y219-P298 HydrophobicContact CE1-CG 4.19Å; Y219-P298 HydrophobicContact CG-CB 4.04Å; Y219-P298 CarbonylContact O-C 3.59Å; Y219-P298 VanDerWaalsContact O-CA 3.29Å; Y219-P298 WeakPolarHBondContact O-CA 3.49Å; Y219-T299 PolarHBondContact O-N 2.97Å
220L96.3Very high83.5Confident0 Ų073.7 Ų73.70%036%0.364CS..EExtended strand (participates in β ladder)trans-111.5133.9-171.5-173.272.2000110.2E182 L183 L218 Y260 V261 T299 C301 L304E182-L220 HydrophobicContact CG-CD2 4.48Å; L183-L220 HydrophobicContact CD2-CD2 4.45Å; L218-L220 HydrophobicContact CD1-CB 4.16Å; L218-L220 HydrophobicContact CD2-CB 4.36Å; L218-L220 HydrophobicContact CG-CB 4.15Å; L220-Y260 CarbonylContact O-C 3.59Å; L220-Y260 VanDerWaalsContact O-CA 3.28Å; L220-Y260 WeakPolarHBondContact O-CA 3.45Å; L220-Y260 WeakPolarHBondContact O-CB 3.48Å; L220-V261 HydrophobicContact CB-CB 4.21Å; L220-V261 PolarHBondContact N-O 3.49Å; L220-V261 PolarHBondContact O-N 2.93Å; L220-T299 HydrophobicContact CD1-CG2 3.99Å; L220-C301 HydrophobicContact CD1-CB 3.72Å; L220-C301 HydrophobicContact CG-CB 3.97Å; L220-L304 HydrophobicContact CG-CD1 4.24Å
221G96Very high86.3Confident0 Ų069.7 Ų69.70%034%0.342CS..EExtended strand (participates in β ladder)trans-171.6169-175.300000114.4V223 T299 H300 C301 L304G221-V223 PolarHBondContact O-N 2.82Å; G221-T299 PolarHBondContact N-O 3.49Å; G221-H300 CarbonylContact O-C 3.05Å; G221-H300 WeakPolarHBondContact O-CA 3.29Å; G221-C301 PolarHBondContact O-N 3.43Å; G221-L304 VanDerWaalsContact CA-CD1 3.43Å
222R93.7Very high88.9Confident13 Ų1362.7 Ų62.75%0.04932%0.324CS..EExtended strand (participates in β ladder)trans-72.7107.7159.4-172.870167.8155-1.6108A255 S256 H300 L304 A367 S371R222-A255 CarbonylContact O-C 3.46Å; R222-A255 WeakPolarHBondContact O-CA 3.4Å; R222-S256 PolarHBondContact O-N 3.37Å; R222-H300 PolarHBondContact NH1-CE1 2.82Å; R222-H300 PolarHBondContact NH1-NE2 2.89Å; R222-L304 HydrophobicContact CB-CB 4.43Å; R222-L304 WeakPolarHBondContact CB-O 3.41Å; R222-L304 WeakPolarHBondContact CD-O 3.35Å; R222-A367 PolarHBondContact NH2-O 3.27Å; R222-S371 VanDerWaalsContact CZ-OG 3.25Å; R222-S371 PolarHBondContact NH1-OG 2.87Å; R222-S371 VanDerWaalsContact NH2-N 3.2Å; R222-S371 PolarHBondContact NH2-OG 3.15Å
223V93.6Very high90.7Very high8 Ų863.8 Ų63.85%0.04832%0.32CS..EExtended strand (participates in β ladder)trans-83.9130.6-171.3177.70000111.6G221 W225 P253 Y254 P298 H300G221-V223 PolarHBondContact O-N 2.82Å; V223-W225 HydrophobicContact CB-CZ2 3.98Å; V223-W225 HydrophobicContact CG1-CD2 3.77Å; V223-W225 VanDerWaalsContact CG1-CE2 3.44Å; V223-W225 HydrophobicContact CG1-CE3 4.17Å; V223-W225 HydrophobicContact CG1-CG 4.33Å; V223-W225 HydrophobicContact CG1-CH2 4Å; V223-W225 HydrophobicContact CG1-CZ2 3.59Å; V223-W225 HydrophobicContact CG1-CZ3 4.26Å; V223-P253 HydrophobicContact CG1-CB 3.79Å; V223-Y254 CarbonylContact C-O 3.51Å; V223-Y254 WeakPolarHBondContact CA-O 3.5Å; V223-P298 HydrophobicContact CG1-CG 4.06Å; V223-P298 HydrophobicContact CG2-CB 3.68Å; V223-P298 HydrophobicContact CG2-CG 3.86Å; V223-H300 HydrophobicContact CB-CB 4.25Å; V223-H300 HydrophobicContact CG2-CB 4.06Å; V223-H300 PolarHBondContact N-ND1 3.25Å
224H93.4Very high92.4Very high58 Ų5864.2 Ų64.227%0.26932%0.322SS..EExtended strand (participates in β ladder)trans-89.8129.6167.5-70.1-65.7000110.3V227 P253 Y254 S256H224-V227 HydrophobicContact CB-CG2 3.83Å; H224-P253 WeakPolarHBondContact O-CA 3.24Å; H224-Y254 HydrophobicContact CB-CD1 4.22Å; H224-Y254 HydrophobicContact CB-CD2 4.35Å; H224-Y254 HydrophobicContact CB-CE1 3.78Å; H224-Y254 HydrophobicContact CB-CE2 3.93Å; H224-Y254 HydrophobicContact CB-CG 4.48Å; H224-Y254 AromaticContact CD2-CE2 3.55Å; H224-Y254 AromaticContact CD2-CZ 3.99Å; H224-Y254 AromaticContact CG-CZ 3.99Å; H224-Y254 PolarHBondContact N-O 3.44Å; H224-Y254 PolarHBondContact O-N 3.47Å; H224-S256 WeakPolarHBondContact NE2-CB 3.36Å; H224-S256 PolarHBondContact NE2-OG 3.22Å
225W91.4Very high93.6Very high83 Ų8361.9 Ų61.931%0.31430%0.3SS..  trans-113.5135.8-176.2-56.299.1000111S34 L37 V223 V227 P253 H300S34-W225 WeakPolarHBondContact OG-CH2 3Å; S34-W225 WeakPolarHBondContact OG-CZ2 3.33Å; L37-W225 HydrophobicContact CD1-CE3 4.39Å; L37-W225 HydrophobicContact CD1-CH2 3.77Å; L37-W225 HydrophobicContact CD1-CZ3 3.38Å; V223-W225 HydrophobicContact CB-CZ2 3.98Å; V223-W225 HydrophobicContact CG1-CD2 3.77Å; V223-W225 VanDerWaalsContact CG1-CE2 3.44Å; V223-W225 HydrophobicContact CG1-CE3 4.17Å; V223-W225 HydrophobicContact CG1-CG 4.33Å; V223-W225 HydrophobicContact CG1-CH2 4Å; V223-W225 HydrophobicContact CG1-CZ2 3.59Å; V223-W225 HydrophobicContact CG1-CZ3 4.26Å; W225-V227 PolarHBondContact O-N 3.43Å; W225-P253 HydrophobicContact CE3-CB 3.73Å; W225-P253 HydrophobicContact CE3-CG 3.55Å; W225-P253 HydrophobicContact CH2-CB 4.42Å; W225-P253 HydrophobicContact CZ3-CB 3.65Å; W225-P253 HydrophobicContact CZ3-CG 3.47Å; W225-P253 VanDerWaalsContact CZ3-CG 3.47Å; W225-H300 HydrophobicContact CZ2-CB 4.5Å
226R92.2Very high94.2Very high216 Ų21668.7 Ų68.782%0.81533%0.325SS*.SBendtrans53.329.7172.1-60-175.4173.5-176.6-1.2115R228 P250R226-R228 PolarHBondContact O-N 3.3Å; R226-P250 VanDerWaalsContact C-CB 3.49Å; R226-P250 HydrophobicContact CB-CB 4.38Å; R226-P250 HydrophobicContact CB-CG 4.43Å; R226-P250 WeakPolarHBondContact O-CB 3.4Å
227V95.5Very high94.5Very high48 Ų4868.5 Ų68.529%0.29132%0.317SS..PPolyproline II helixtrans-68.7128.6177178.60000109.9H224 W225 P250 F251 Y254H224-V227 HydrophobicContact CB-CG2 3.83Å; W225-V227 PolarHBondContact O-N 3.43Å; V227-P250 CarbonylContact O-C 3.59Å; V227-P250 WeakPolarHBondContact O-CA 3.37Å; V227-P250 WeakPolarHBondContact O-CB 3.31Å; V227-F251 HydrophobicContact CB-CD2 4.35Å; V227-F251 HydrophobicContact CG1-CD2 4.2Å; V227-F251 WeakPolarHBondContact O-CD2 3.3Å; V227-F251 PolarHBondContact O-N 3.27Å; V227-Y254 HydrophobicContact CB-CE1 4.05Å; V227-Y254 HydrophobicContact CG2-CE1 4.14Å
228R96.5Very high94.8Very high167 Ų16766.1 Ų66.163%0.6330%0.304SS*.PPolyproline II helixtrans-88.8147.7174.6-73.6-174.8170.6-1290.6111.3R226 T230 P250R226-R228 PolarHBondContact O-N 3.3Å; R228-T230 PolarHBondContact O-N 3.14Å; R228-P250 HydrophobicContact CG-CB 4.2Å
229P96.9Very high94.9Very high17 Ų1765.2 Ų65.211%0.1130%0.299CS..PPolyproline II helixtrans-57.4133.8174.7-17.726.7000111.6R231 V239 W244 F251P229-R231 PolarHBondContact O-N 3.38Å; P229-V239 HydrophobicContact CB-CB 4.07Å; P229-V239 HydrophobicContact CB-CG1 4.37Å; P229-W244 HydrophobicContact CG-CB 4.28Å; P229-W244 HydrophobicContact CG-CG 3.86Å; P229-F251 HydrophobicContact CB-CE1 4.31Å; P229-F251 HydrophobicContact CB-CE2 4.19Å; P229-F251 HydrophobicContact CB-CZ 3.64Å; P229-F251 HydrophobicContact CG-CE1 3.81Å; P229-F251 HydrophobicContact CG-CE2 4.17Å; P229-F251 HydrophobicContact CG-CZ 3.59Å
230T96.3Very high94.8Very high50 Ų5066.9 Ų66.931%0.30731%0.311SS..BIsolated β-bridgetrans-75.8124171.7-56.80000109.1R228 H238 V239R228-T230 PolarHBondContact O-N 3.14Å; T230-H238 WeakPolarHBondContact O-CA 3.47Å; T230-V239 PolarHBondContact O-N 2.95Å
231R95.7Very high94.8Very high84 Ų8471.1 Ų71.132%0.31733%0.33SS..  trans-96.7-6-179.1-57.6-56.1-165.4-173.24.4114.5P229 P233 V239 S240 E241 W244P229-R231 PolarHBondContact O-N 3.38Å; R231-P233 WeakPolarHBondContact O-CD 3.38Å; R231-V239 WeakPolarHBondContact CD-O 3.31Å; R231-V239 PolarHBondContact NH1-O 3.1Å; R231-S240 PolarHBondContact NH1-O 3.2Å; R231-E241 IonicContact CZ-OE2 2.7Å; R231-E241 IonicContact NE-OE2 2.81Å; R231-E241 IonicContact NH1-OE2 3.74Å; R231-E241 IonicContact NH2-OE2 2.88Å; R231-E241 PolarHBondContact NH2-OE2 2.94Å; R231-W244 VanDerWaalsContact CZ-O 3.26Å; R231-W244 PolarHBondContact NH1-O 2.98Å; R231-W244 PolarHBondContact NH2-O 3.34Å
232T95.7Very high94.8Very high78 Ų7879.7 Ų79.748%0.47937%0.371SS..  trans-72.3116.4178.1-52.60000110.6E234 S235 H238T232-E234 VanDerWaalsContact C-N 3.27Å; T232-E234 WeakPolarHBondContact CG2-OE2 3.44Å; T232-E234 PolarHBondContact O-N 3.22Å; T232-S235 VanDerWaalsContact O-CB 3.28Å; T232-S235 WeakPolarHBondContact O-CB 3.2Å; T232-S235 PolarHBondContact O-N 3.38Å; T232-H238 WeakPolarHBondContact O-CB 3.4Å
233P92.3Very high94.9Very high88 Ų8881 Ų8157%0.57138%0.378SS*.THydrogen-bonded Turntrans-59.2-31.8-174-26.936.4000115R231 S235R231-P233 WeakPolarHBondContact O-CD 3.38Å; P233-S235 VanDerWaalsContact C-N 3.26Å; P233-S235 PolarHBondContact O-N 3.3Å
234E92.6Very high95Very high158 Ų15881.3 Ų81.374%0.73838%0.378SS*.THydrogen-bonded Turntrans-77-15.2-178.7-5770.1-148.500112.4T232 R236T232-E234 VanDerWaalsContact C-N 3.27Å; T232-E234 WeakPolarHBondContact CG2-OE2 3.44Å; T232-E234 PolarHBondContact O-N 3.22Å; E234-R236 PolarHBondContact O-N 2.89Å
235S94.9Very high95.2Very high31 Ų3180.2 Ų80.222%0.21738%0.376CS..SBendtrans-69.8132.3178.8-178.80000110.4T232 P233 H237 H238T232-S235 VanDerWaalsContact O-CB 3.28Å; T232-S235 WeakPolarHBondContact O-CB 3.2Å; T232-S235 PolarHBondContact O-N 3.38Å; P233-S235 VanDerWaalsContact C-N 3.26Å; P233-S235 PolarHBondContact O-N 3.3Å; S235-H237 PolarHBondContact O-N 2.92Å; S235-H237 VanDerWaalsContact O-N 3.07Å; S235-H237 PolarHBondContact OG-N 3.44Å; S235-H237 VanDerWaalsContact OG-N 3.11Å; S235-H238 WeakPolarHBondContact O-CB 3.13Å; S235-H238 PolarHBondContact O-N 3.41Å
236R94.3Very high95.4Very high158 Ų15882.6 Ų82.660%0.59639%0.391SS*.THydrogen-bonded Turntrans-57.8-23.616975.3-178.7-164.4-1795112.4Y141 E234Y141-R236 HydrophobicContact CD1-CB 4.07Å; Y141-R236 HydrophobicContact CD1-CG 4.47Å; Y141-R236 HydrophobicContact CE1-CB 4Å; Y141-R236 HydrophobicContact CE1-CG 3.96Å; Y141-R236 WeakPolarHBondContact CE1-O 3.31Å; E234-R236 PolarHBondContact O-N 2.89Å
237H94.8Very high95.5Very high69 Ų6979 Ų7932%0.31939%0.388SS..THydrogen-bonded Turntrans-93.412.8177.9-49124.5000113.6Y141 S235 V239 L282Y141-H237 PolarHBondContact OH-CD2 2.9Å; Y141-H237 VanDerWaalsContact OH-CD2 3.24Å; Y141-H237 PolarHBondContact OH-NE2 3.22Å; S235-H237 PolarHBondContact O-N 2.92Å; S235-H237 VanDerWaalsContact O-N 3.07Å; S235-H237 PolarHBondContact OG-N 3.44Å; S235-H237 VanDerWaalsContact OG-N 3.11Å; H237-V239 PolarHBondContact O-N 3.47Å; H237-L282 HydrophobicContact CB-CD2 4.19Å
238H96.6Very high95.5Very high42 Ų4282.6 Ų82.619%0.19440%0.396CS..BIsolated β-bridgetrans-60.1130.6-178.7173.7-118.7000112.9T230 T232 S235T230-H238 WeakPolarHBondContact O-CA 3.47Å; T232-H238 WeakPolarHBondContact O-CB 3.4Å; S235-H238 WeakPolarHBondContact O-CB 3.13Å; S235-H238 PolarHBondContact O-N 3.41Å
239V96.7Very high95.5Very high1 Ų175.5 Ų75.51%0.00638%0.376CS..  trans-130.9121.4172.2178.20000109.1P229 T230 R231 H237 L243 W244 F251 L280 L282P229-V239 HydrophobicContact CB-CB 4.07Å; P229-V239 HydrophobicContact CB-CG1 4.37Å; T230-V239 PolarHBondContact O-N 2.95Å; R231-V239 WeakPolarHBondContact CD-O 3.31Å; R231-V239 PolarHBondContact NH1-O 3.1Å; H237-V239 PolarHBondContact O-N 3.47Å; V239-L243 HydrophobicContact CG1-CB 4.05Å; V239-W244 HydrophobicContact CG1-CB 3.75Å; V239-F251 HydrophobicContact CG2-CZ 4.16Å; V239-L280 HydrophobicContact CG1-CD2 3.87Å; V239-L282 HydrophobicContact CG2-CD1 3.5Å; V239-L282 VanDerWaalsContact CG2-CD1 3.5Å; V239-L282 HydrophobicContact CG2-CG 3.94Å
240S95.9Very high95.5Very high36 Ų3677 Ų7725%0.25239%0.386SS..  trans-68.7156.4-179.762.70000112.2R231 E242 L243 W244R231-S240 PolarHBondContact NH1-O 3.2Å; S240-E242 PolarHBondContact O-N 3.4Å; S240-L243 PolarHBondContact O-N 3Å; S240-L243 WeakPolarHBondContact OG-CG 3.23Å; S240-L243 PolarHBondContact OG-N 3.2Å; S240-W244 PolarHBondContact O-N 3.4Å; S240-W244 VanDerWaalsContact O-N 3.1Å
241E95.9Very high95.5Very high89 Ų8975 Ų7542%0.41637%0.372SS..THydrogen-bonded Turntrans-57.5-34.6173.8-172.162.1-158.200112R231 W244 P245 E246R231-E241 IonicContact CZ-OE2 2.7Å; R231-E241 IonicContact NE-OE2 2.81Å; R231-E241 IonicContact NH1-OE2 3.74Å; R231-E241 IonicContact NH2-OE2 2.88Å; R231-E241 PolarHBondContact NH2-OE2 2.94Å; E241-W244 CarbonylContact O-C 3.13Å; E241-W244 PolarHBondContact O-N 2.95Å; E241-P245 WeakPolarHBondContact O-CA 3.49Å; E241-P245 VanDerWaalsContact O-N 3.11Å; E241-P245 WeakPolarHBondContact OE1-CA 3.22Å; E241-E246 VanDerWaalsContact OE1-CB 3.3Å; E241-E246 WeakPolarHBondContact OE1-CB 3.28Å; E241-E246 PolarHBondContact OE1-N 3.34Å
242E95.7Very high95.4Very high180 Ų18071.5 Ų71.584%0.84136%0.361SS*.THydrogen-bonded Turntrans-63.2-42.7175.6-176.3-176.8-176.500113S240S240-E242 PolarHBondContact O-N 3.4Å
243L95.8Very high95.3Very high41 Ų4169.7 Ų69.722%0.21535%0.35CS..THydrogen-bonded Turntrans-75.9-29.2-179.7-72.8175.8000112.6V239 S240 P278 P279 L280V239-L243 HydrophobicContact CG1-CB 4.05Å; S240-L243 PolarHBondContact O-N 3Å; S240-L243 WeakPolarHBondContact OG-CG 3.23Å; S240-L243 PolarHBondContact OG-N 3.2Å; L243-P278 WeakPolarHBondContact O-CB 3.5Å; L243-P279 HydrophobicContact CD2-CG 4.04Å; L243-L280 HydrophobicContact CB-CD2 4.18Å
244W96.9Very high95.5Very high13 Ų1366.3 Ų66.35%0.04933%0.326CS..SBendtrans-148.198.1178.1-165.4-80.8000109.7P229 R231 V239 S240 E241 W248 G249 F251 L280 V289P229-W244 HydrophobicContact CG-CB 4.28Å; P229-W244 HydrophobicContact CG-CG 3.86Å; R231-W244 VanDerWaalsContact CZ-O 3.26Å; R231-W244 PolarHBondContact NH1-O 2.98Å; R231-W244 PolarHBondContact NH2-O 3.34Å; V239-W244 HydrophobicContact CG1-CB 3.75Å; S240-W244 PolarHBondContact O-N 3.4Å; S240-W244 VanDerWaalsContact O-N 3.1Å; E241-W244 CarbonylContact O-C 3.13Å; E241-W244 PolarHBondContact O-N 2.95Å; W244-W248 AromaticContact CD2-CE3 3.8Å; W244-W248 HydrophobicContact CD2-CE3 3.8Å; W244-W248 HydrophobicContact CD2-CZ3 4.39Å; W244-W248 AromaticContact CE2-CE3 3.95Å; W244-W248 AromaticContact CE3-CE3 3.83Å; W244-W248 HydrophobicContact CE3-CE3 3.83Å; W244-W248 HydrophobicContact CE3-CZ3 4Å; W244-W248 HydrophobicContact CG-CE3 4.36Å; W244-W248 HydrophobicContact CH2-CE3 4.17Å; W244-W248 HydrophobicContact CZ2-CB 4.35Å; W244-W248 HydrophobicContact CZ2-CE3 4.15Å; W244-W248 HydrophobicContact CZ3-CE3 4.01Å; W244-W248 HydrophobicContact CZ3-CZ3 4.15Å; W244-G249 PolarHBondContact NE1-O 2.99Å; W244-F251 HydrophobicContact CB-CE1 4.38Å; W244-F251 AromaticContact CD2-CD1 3.71Å; W244-F251 HydrophobicContact CD2-CD1 3.71Å; W244-F251 AromaticContact CD2-CE1 3.5Å; W244-F251 HydrophobicContact CD2-CE1 3.5Å; W244-F251 VanDerWaalsContact CD2-CE1 3.5Å; W244-F251 AromaticContact CE2-CD1 3.58Å; W244-F251 AromaticContact CE2-CE1 3.82Å; W244-F251 AromaticContact CE3-CD1 3.89Å; W244-F251 HydrophobicContact CE3-CD1 3.89Å; W244-F251 AromaticContact CE3-CE1 3.76Å; W244-F251 HydrophobicContact CE3-CE1 3.76Å; W244-F251 HydrophobicContact CG-CD1 4.38Å; W244-F251 AromaticContact CG-CE1 3.79Å; W244-F251 HydrophobicContact CG-CE1 3.79Å; W244-F251 AromaticContact CH2-CD1 3.86Å; W244-F251 HydrophobicContact CH2-CD1 3.86Å; W244-F251 AromaticContact CZ2-CD1 3.67Å; W244-F251 HydrophobicContact CZ2-CD1 3.67Å; W244-F251 HydrophobicContact CZ2-CE1 4.34Å; W244-F251 AromaticContact CZ3-CD1 3.97Å; W244-F251 HydrophobicContact CZ3-CD1 3.97Å; W244-F251 HydrophobicContact CZ3-CE1 4.29Å; W244-L280 HydrophobicContact CE3-CD1 4.18Å; W244-L280 HydrophobicContact CE3-CD2 4.47Å; W244-L280 HydrophobicContact CZ3-CD1 4.27Å; W244-V289 HydrophobicContact CH2-CG2 3.92Å; W244-V289 HydrophobicContact CZ3-CG1 4.41Å; W244-V289 HydrophobicContact CZ3-CG2 3.72Å
245P97.2Very high95.7Very high35 Ų3558.8 Ų58.823%0.22729%0.291CS..  trans-61.6146.3177.9-2938.1000113.4E241 N247 W248E241-P245 WeakPolarHBondContact O-CA 3.49Å; E241-P245 VanDerWaalsContact O-N 3.11Å; E241-P245 WeakPolarHBondContact OE1-CA 3.22Å; P245-N247 VanDerWaalsContact C-N 3.26Å; P245-N247 WeakPolarHBondContact CB-OD1 3.41Å; P245-N247 PolarHBondContact O-N 2.9Å; P245-W248 HydrophobicContact CB-CG 4.42Å; P245-W248 HydrophobicContact CG-CD2 4.45Å; P245-W248 HydrophobicContact CG-CZ2 4.46Å; P245-W248 WeakPolarHBondContact O-CB 3.48Å; P245-W248 PolarHBondContact O-N 3.45Å
246E94.3Very high95.8Very high133 Ų13357.6 Ų57.662%0.62128%0.283SS*.G310 helixtrans-62.5-34.6-177-177.7168.9-16000111.7E241 W248 G249E241-E246 VanDerWaalsContact OE1-CB 3.3Å; E241-E246 WeakPolarHBondContact OE1-CB 3.28Å; E241-E246 PolarHBondContact OE1-N 3.34Å; E246-W248 PolarHBondContact O-N 3.35Å; E246-G249 PolarHBondContact O-N 2.96Å
247N95.9Very high95.9Very high140 Ų14050.6 Ų50.675%0.74926%0.259SS*.G310 helixtrans-67-13.5176.869.8-14.1000113.7P245 G249P245-N247 VanDerWaalsContact C-N 3.26Å; P245-N247 WeakPolarHBondContact CB-OD1 3.41Å; P245-N247 PolarHBondContact O-N 2.9Å; N247-G249 VanDerWaalsContact C-N 3.26Å
248W95.6Very high96Very high124 Ų12447.8 Ų47.847%0.4725%0.247SC..G310 helixtrans-77.2-15.8171.2-68.410.5000112.4W244 P245 E246 P278W244-W248 AromaticContact CD2-CE3 3.8Å; W244-W248 HydrophobicContact CD2-CE3 3.8Å; W244-W248 HydrophobicContact CD2-CZ3 4.39Å; W244-W248 AromaticContact CE2-CE3 3.95Å; W244-W248 AromaticContact CE3-CE3 3.83Å; W244-W248 HydrophobicContact CE3-CE3 3.83Å; W244-W248 HydrophobicContact CE3-CZ3 4Å; W244-W248 HydrophobicContact CG-CE3 4.36Å; W244-W248 HydrophobicContact CH2-CE3 4.17Å; W244-W248 HydrophobicContact CZ2-CB 4.35Å; W244-W248 HydrophobicContact CZ2-CE3 4.15Å; W244-W248 HydrophobicContact CZ3-CE3 4.01Å; W244-W248 HydrophobicContact CZ3-CZ3 4.15Å; P245-W248 HydrophobicContact CB-CG 4.42Å; P245-W248 HydrophobicContact CG-CD2 4.45Å; P245-W248 HydrophobicContact CG-CZ2 4.46Å; P245-W248 WeakPolarHBondContact O-CB 3.48Å; P245-W248 PolarHBondContact O-N 3.45Å; E246-W248 PolarHBondContact O-N 3.35Å; W248-P278 HydrophobicContact CH2-CG 4.24Å; W248-P278 HydrophobicContact CZ3-CG 3.94Å
249G95.7Very high96.1Very high19 Ų1945.8 Ų45.820%0.19624%0.238CC..  trans70.2-151.4179.800000113W244 E246 N247W244-G249 PolarHBondContact NE1-O 2.99Å; E246-G249 PolarHBondContact O-N 2.96Å; N247-G249 VanDerWaalsContact C-N 3.26Å
250P96.4Very high96.1Very high49 Ų4945.8 Ų45.832%0.31824%0.238SC..SBendtrans-67.9159.8-178.430.4-35.1000112.2R226 V227 R228R226-P250 VanDerWaalsContact C-CB 3.49Å; R226-P250 HydrophobicContact CB-CB 4.38Å; R226-P250 HydrophobicContact CB-CG 4.43Å; R226-P250 WeakPolarHBondContact O-CB 3.4Å; V227-P250 CarbonylContact O-C 3.59Å; V227-P250 WeakPolarHBondContact O-CA 3.37Å; V227-P250 WeakPolarHBondContact O-CB 3.31Å; R228-P250 HydrophobicContact CG-CB 4.2Å
251F95.8Very high96.3Very high6 Ų644.1 Ų44.13%0.02623%0.226CC..PPolyproline II helixtrans-58.4148.5169.5-59.5-53.1000111V227 P229 V239 W244 Y254 L282 V285V227-F251 HydrophobicContact CB-CD2 4.35Å; V227-F251 HydrophobicContact CG1-CD2 4.2Å; V227-F251 WeakPolarHBondContact O-CD2 3.3Å; V227-F251 PolarHBondContact O-N 3.27Å; P229-F251 HydrophobicContact CB-CE1 4.31Å; P229-F251 HydrophobicContact CB-CE2 4.19Å; P229-F251 HydrophobicContact CB-CZ 3.64Å; P229-F251 HydrophobicContact CG-CE1 3.81Å; P229-F251 HydrophobicContact CG-CE2 4.17Å; P229-F251 HydrophobicContact CG-CZ 3.59Å; V239-F251 HydrophobicContact CG2-CZ 4.16Å; W244-F251 HydrophobicContact CB-CE1 4.38Å; W244-F251 AromaticContact CD2-CD1 3.71Å; W244-F251 HydrophobicContact CD2-CD1 3.71Å; W244-F251 AromaticContact CD2-CE1 3.5Å; W244-F251 HydrophobicContact CD2-CE1 3.5Å; W244-F251 VanDerWaalsContact CD2-CE1 3.5Å; W244-F251 AromaticContact CE2-CD1 3.58Å; W244-F251 AromaticContact CE2-CE1 3.82Å; W244-F251 AromaticContact CE3-CD1 3.89Å; W244-F251 HydrophobicContact CE3-CD1 3.89Å; W244-F251 AromaticContact CE3-CE1 3.76Å; W244-F251 HydrophobicContact CE3-CE1 3.76Å; W244-F251 HydrophobicContact CG-CD1 4.38Å; W244-F251 AromaticContact CG-CE1 3.79Å; W244-F251 HydrophobicContact CG-CE1 3.79Å; W244-F251 AromaticContact CH2-CD1 3.86Å; W244-F251 HydrophobicContact CH2-CD1 3.86Å; W244-F251 AromaticContact CZ2-CD1 3.67Å; W244-F251 HydrophobicContact CZ2-CD1 3.67Å; W244-F251 HydrophobicContact CZ2-CE1 4.34Å; W244-F251 AromaticContact CZ3-CD1 3.97Å; W244-F251 HydrophobicContact CZ3-CD1 3.97Å; W244-F251 HydrophobicContact CZ3-CE1 4.29Å; F251-Y254 HydrophobicContact CB-CD1 4.34Å; F251-Y254 HydrophobicContact CB-CE1 4.21Å; F251-Y254 HydrophobicContact CD2-CE1 4.39Å; F251-L282 HydrophobicContact CE2-CD1 4.38Å; F251-L282 HydrophobicContact CZ-CD1 4.46Å; F251-V285 HydrophobicContact CB-CG1 4.11Å; F251-V285 HydrophobicContact CD1-CG1 3.53Å; F251-V285 HydrophobicContact CD2-CG1 3.87Å; F251-V285 HydrophobicContact CD2-CG2 4.12Å; F251-V285 HydrophobicContact CE1-CG1 3.83Å; F251-V285 HydrophobicContact CE2-CG1 4.13Å; F251-V285 HydrophobicContact CE2-CG2 4.22Å; F251-V285 HydrophobicContact CG-CG1 3.56Å; F251-V285 HydrophobicContact CZ-CG1 4.11Å
252P94.5Very high96.4Very high12 Ų1239.9 Ų39.98%0.07821%0.206CC..PPolyproline II helixtrans-62.2161.1167.730.3-36.4000110.9Y254 V289 R292P252-Y254 WeakPolarHBondContact O-CD1 3.47Å; P252-Y254 PolarHBondContact O-N 3.19Å; P252-V289 HydrophobicContact CG-CB 4.5Å; P252-V289 HydrophobicContact CG-CG2 3.75Å; P252-R292 HydrophobicContact CB-CB 4.32Å; P252-R292 HydrophobicContact CB-CG 4.37Å; P252-R292 HydrophobicContact CG-CB 4.47Å
253P94.5Very high96.5Very high39 Ų3931.3 Ų31.325%0.25317%0.166SC..PPolyproline II helixtrans-54.5133.9177.3-23.733.7000111.9V223 H224 W225 P298V223-P253 HydrophobicContact CG1-CB 3.79Å; H224-P253 WeakPolarHBondContact O-CA 3.24Å; W225-P253 HydrophobicContact CE3-CB 3.73Å; W225-P253 HydrophobicContact CE3-CG 3.55Å; W225-P253 HydrophobicContact CH2-CB 4.42Å; W225-P253 HydrophobicContact CZ3-CB 3.65Å; W225-P253 HydrophobicContact CZ3-CG 3.47Å; W225-P253 VanDerWaalsContact CZ3-CG 3.47Å; P253-P298 HydrophobicContact CB-CG 3.99Å; P253-P298 WeakPolarHBondContact O-CG 3.37Å
254Y96.3Very high96.5Very high18 Ų1829.8 Ų29.87%0.07116%0.158CC..EExtended strand (participates in β ladder)trans-142.1151.8179.965.6-86.1000110.7V223 H224 V227 F251 P252 D284 V285V223-Y254 CarbonylContact C-O 3.51Å; V223-Y254 WeakPolarHBondContact CA-O 3.5Å; H224-Y254 HydrophobicContact CB-CD1 4.22Å; H224-Y254 HydrophobicContact CB-CD2 4.35Å; H224-Y254 HydrophobicContact CB-CE1 3.78Å; H224-Y254 HydrophobicContact CB-CE2 3.93Å; H224-Y254 HydrophobicContact CB-CG 4.48Å; H224-Y254 AromaticContact CD2-CE2 3.55Å; H224-Y254 AromaticContact CD2-CZ 3.99Å; H224-Y254 AromaticContact CG-CZ 3.99Å; H224-Y254 PolarHBondContact N-O 3.44Å; H224-Y254 PolarHBondContact O-N 3.47Å; V227-Y254 HydrophobicContact CB-CE1 4.05Å; V227-Y254 HydrophobicContact CG2-CE1 4.14Å; F251-Y254 HydrophobicContact CB-CD1 4.34Å; F251-Y254 HydrophobicContact CB-CE1 4.21Å; F251-Y254 HydrophobicContact CD2-CE1 4.39Å; P252-Y254 WeakPolarHBondContact O-CD1 3.47Å; P252-Y254 PolarHBondContact O-N 3.19Å; Y254-D284 HydrophobicContact CD2-CB 3.97Å; Y254-D284 HydrophobicContact CE2-CB 4.24Å; Y254-V285 HydrophobicContact CD1-CG2 4.32Å; Y254-V285 HydrophobicContact CD2-CG2 4.2Å; Y254-V285 HydrophobicContact CE1-CG2 3.93Å; Y254-V285 HydrophobicContact CE2-CG2 3.79Å; Y254-V285 HydrophobicContact CG-CG2 4.46Å
255A97.2Very high96.4Very high0 Ų030.5 Ų30.50%017%0.165CC..EExtended strand (participates in β ladder)trans-78.9142.5175.900000111.3Y219 R222 Y260 D284Y219-A255 HydrophobicContact CD2-CB 4.36Å; Y219-A255 HydrophobicContact CE2-CB 3.47Å; Y219-A255 VanDerWaalsContact CE2-CB 3.47Å; Y219-A255 WeakPolarHBondContact OH-CB 3.44Å; Y219-A255 PolarHBondContact OH-N 2.81Å; R222-A255 CarbonylContact O-C 3.46Å; R222-A255 WeakPolarHBondContact O-CA 3.4Å; A255-Y260 HydrophobicContact CB-CD1 4.38Å; A255-Y260 HydrophobicContact CB-CG 4.17Å; A255-D284 WeakPolarHBondContact O-CB 3.42Å
256S96.7Very high96.4Very high6 Ų628.9 Ų28.94%0.04216%0.155CC..EExtended strand (participates in β ladder)trans-55.1135.4177.8-165.50000112.7R222 H224 T258 G259R222-S256 PolarHBondContact O-N 3.37Å; H224-S256 WeakPolarHBondContact NE2-CB 3.36Å; H224-S256 PolarHBondContact NE2-OG 3.22Å; S256-T258 PolarHBondContact O-N 3.02Å; S256-T258 VanDerWaalsContact O-N 3.1Å; S256-G259 PolarHBondContact O-N 2.02Å
257G96.2Very high96.6Very high10 Ų1022.5 Ų22.510%0.10313%0.125CC..EExtended strand (participates in β ladder)trans-60-18.7178.700000115.2K167 G259 D284K167-G257 PolarHBondContact NZ-O 3.09Å; G257-G259 VanDerWaalsContact C-N 3.26Å; G257-G259 PolarHBondContact O-N 3.22Å; G257-D284 PolarHBondContact N-OD2 2.99Å
258T96.5Very high96.6Very high11 Ų1119.7 Ų19.77%0.06711%0.107CC..EExtended strand (participates in β ladder)trans-65.7-30.5179.766.30000112.5T168 V172 S256 G306 H325T168-T258 PolarHBondContact OG1-O 3.01Å; V172-T258 WeakPolarHBondContact CG2-O 3.45Å; S256-T258 PolarHBondContact O-N 3.02Å; S256-T258 VanDerWaalsContact O-N 3.1Å; T258-G306 WeakPolarHBondContact CG2-O 3.29Å; T258-G306 VanDerWaalsContact OG1-C 3.31Å; T258-G306 VanDerWaalsContact OG1-CA 3.27Å; T258-G306 WeakPolarHBondContact OG1-CA 3.19Å; T258-G306 PolarHBondContact OG1-O 2.97Å; T258-H325 HydrophobicContact CG2-CB 4.05Å
259G97.8Very high96.6Very high0 Ų015.3 Ų15.30%09%0.093CC..EExtended strand (participates in β ladder)trans179.7134.6170.800000114K167 S256 G257K167-G259 WeakPolarHBondContact O-CA 3.42Å; S256-G259 PolarHBondContact O-N 2.02Å; G257-G259 VanDerWaalsContact C-N 3.26Å; G257-G259 PolarHBondContact O-N 3.22Å
260Y98.5Very high96.7Very high1 Ų114.4 Ų14.40%0.0048%0.084CC..EExtended strand (participates in β ladder)trans-150151.8176.760.9-103.5000111.2T148 K167 Y219 L220 A255 L262 E283 V287T148-Y260 WeakPolarHBondContact CG2-OH 3.47Å; K167-Y260 HydrophobicContact CB-CD2 4.29Å; K167-Y260 HydrophobicContact CB-CE1 4.2Å; K167-Y260 HydrophobicContact CB-CE2 3.73Å; K167-Y260 HydrophobicContact CD-CD1 4.34Å; K167-Y260 HydrophobicContact CD-CE1 3.63Å; K167-Y260 HydrophobicContact CG-CE1 4.28Å; K167-Y260 HydrophobicContact CG-CE2 4.49Å; K167-Y260 PolarHBondContact N-O 3.48Å; K167-Y260 PolarHBondContact O-N 3.25Å; K167-Y260 VanDerWaalsContact O-N 3.08Å; Y219-Y260 HydrophobicContact CD2-CD2 4.4Å; Y219-Y260 AromaticContact CE2-CD2 3.86Å; Y219-Y260 HydrophobicContact CE2-CD2 3.86Å; Y219-Y260 AromaticContact CE2-CG 3.98Å; Y219-Y260 HydrophobicContact CE2-CG 3.98Å; L220-Y260 CarbonylContact O-C 3.59Å; L220-Y260 VanDerWaalsContact O-CA 3.28Å; L220-Y260 WeakPolarHBondContact O-CA 3.45Å; L220-Y260 WeakPolarHBondContact O-CB 3.48Å; A255-Y260 HydrophobicContact CB-CD1 4.38Å; A255-Y260 HydrophobicContact CB-CG 4.17Å; Y260-L262 HydrophobicContact CD2-CD1 4.37Å; Y260-L262 HydrophobicContact CD2-CG 4.04Å; Y260-L262 HydrophobicContact CE2-CD1 3.82Å; Y260-L262 HydrophobicContact CE2-CG 3.99Å; Y260-E283 PolarHBondContact OH-OE1 3.28Å; Y260-V287 HydrophobicContact CE2-CG1 4.31Å
261V98.6Very high96.7Very high0 Ų013.2 Ų13.20%07%0.074CC..EExtended strand (participates in β ladder)trans-106.6134.1178.5-176.60000110.6Y164 I165 L166 L179 L183 Y219 L220Y164-V261 HydrophobicContact CD1-CG1 4.22Å; Y164-V261 HydrophobicContact CG-CG1 4.47Å; I165-V261 CarbonylContact O-C 3.58Å; I165-V261 VanDerWaalsContact O-CA 3.3Å; I165-V261 WeakPolarHBondContact O-CA 3.21Å; L166-V261 HydrophobicContact CB-CG2 4.33Å; L166-V261 HydrophobicContact CD1-CG2 3.87Å; L179-V261 HydrophobicContact CD1-CG2 4.1Å; L183-V261 HydrophobicContact CD1-CG1 4.29Å; L183-V261 HydrophobicContact CD2-CB 4.45Å; L183-V261 HydrophobicContact CD2-CG1 3.85Å; Y219-V261 CarbonylContact C-O 3.4Å; Y219-V261 WeakPolarHBondContact CA-O 3.45Å; L220-V261 HydrophobicContact CB-CB 4.21Å; L220-V261 PolarHBondContact N-O 3.49Å; L220-V261 PolarHBondContact O-N 2.93Å
262L98.4Very high96.7Very high1 Ų118.9 Ų18.91%0.00510%0.099CC..EExtended strand (participates in β ladder)trans-116.7132.9169.5-64172.5000109.5L152 Y164 I165 L218 Y219 Y260 A266 V267 I270L152-L262 HydrophobicContact CD1-CD1 4.08Å; L152-L262 HydrophobicContact CD2-CD1 4.12Å; Y164-L262 CarbonylContact C-O 3.53Å; I165-L262 PolarHBondContact N-O 2.81Å; I165-L262 PolarHBondContact O-N 3.43Å; L218-L262 CarbonylContact O-C 3.54Å; L218-L262 WeakPolarHBondContact O-CA 3.28Å; Y219-L262 HydrophobicContact CD2-CD2 3.35Å; Y219-L262 HydrophobicContact CD2-CG 4.39Å; Y219-L262 HydrophobicContact CE2-CD2 4.01Å; Y219-L262 HydrophobicContact CG-CD2 3.74Å; Y260-L262 HydrophobicContact CD2-CD1 4.37Å; Y260-L262 HydrophobicContact CD2-CG 4.04Å; Y260-L262 HydrophobicContact CE2-CD1 3.82Å; Y260-L262 HydrophobicContact CE2-CG 3.99Å; L262-A266 HydrophobicContact CB-CB 4.33Å; L262-A266 HydrophobicContact CD2-CB 4.11Å; L262-V267 HydrophobicContact CB-CG2 3.73Å; L262-V267 HydrophobicContact CD1-CG2 4.03Å; L262-I270 HydrophobicContact CD1-CD1 3.77Å; L262-I270 HydrophobicContact CD2-CD1 3.74Å; L262-I270 HydrophobicContact CG-CD1 4.43Å
263S97Very high96.7Very high0 Ų018.5 Ų18.50%010%0.096CC..EExtended strand (participates in β ladder)trans-62.1155.3159.2600000110.5R163 P216 L218 S265 A266 V267R163-S263 CarbonylContact O-C 3.57Å; R163-S263 WeakPolarHBondContact O-CA 3.43Å; P216-S263 VanDerWaalsContact O-CB 3.29Å; P216-S263 WeakPolarHBondContact O-CB 3.39Å; P216-S263 PolarHBondContact O-OG 3.28Å; L218-S263 PolarHBondContact N-OG 3.27Å; L218-S263 PolarHBondContact O-N 3.29Å; L218-S263 PolarHBondContact O-OG 2.75Å; S263-S265 PolarHBondContact O-N 3.48Å; S263-A266 WeakPolarHBondContact O-CA 3.44Å; S263-A266 WeakPolarHBondContact O-CB 3.43Å; S263-A266 PolarHBondContact O-N 2.96Å; S263-A266 WeakPolarHBondContact OG-CB 3.39Å; S263-A266 PolarHBondContact OG-N 3.43Å; S263-V267 PolarHBondContact O-N 2.92Å
264I96.2Very high96.8Very high9 Ų916.7 Ų16.75%0.0469%0.085CC..Hα-helixtrans-57.4-35.6174.4-172.260.3000112.9V155 A162 R163 I165 V215 A266 V267 Q268V155-I264 HydrophobicContact CG1-CD1 3.81Å; A162-I264 WeakPolarHBondContact O-CB 3.39Å; A162-I264 WeakPolarHBondContact O-CG2 3.48Å; R163-I264 PolarHBondContact O-N 3.5Å; I165-I264 HydrophobicContact CD1-CB 4.22Å; I165-I264 HydrophobicContact CD1-CD1 4.2Å; V215-I264 HydrophobicContact CB-CG2 4.08Å; V215-I264 HydrophobicContact CG2-CG2 3.83Å; I264-A266 VanDerWaalsContact C-N 3.34Å; I264-V267 WeakPolarHBondContact O-CB 3.17Å; I264-V267 PolarHBondContact O-N 3.4Å; I264-Q268 WeakPolarHBondContact O-CG 3.39Å; I264-Q268 PolarHBondContact O-N 2.51Å
265S95.6Very high96.8Very high28 Ų2817.6 Ų17.620%0.1969%0.094CC..Hα-helixtrans-67.8-34.4175.2-61.40000112.1V215 L217 S263 Q268 L269V215-S265 WeakPolarHBondContact O-CB 3.27Å; V215-S265 PolarHBondContact O-OG 3.33Å; V215-S265 VanDerWaalsContact O-OG 3.11Å; L217-S265 VanDerWaalsContact CD2-C 3.49Å; S263-S265 PolarHBondContact O-N 3.48Å; S265-Q268 PolarHBondContact O-N 2.82Å; S265-L269 WeakPolarHBondContact O-CB 3.28Å; S265-L269 PolarHBondContact O-N 3.24Å
266A96.8Very high96.6Very high0 Ų023.3 Ų23.30%012%0.115CC..Hα-helixtrans-68.3-38.8172.700000111.6L217 L218 L262 S263 I264 L269 I270 L296L217-A266 HydrophobicContact CD2-CB 4.14Å; L218-A266 VanDerWaalsContact O-CB 3.28Å; L218-A266 WeakPolarHBondContact O-CB 3.32Å; L262-A266 HydrophobicContact CB-CB 4.33Å; L262-A266 HydrophobicContact CD2-CB 4.11Å; S263-A266 WeakPolarHBondContact O-CA 3.44Å; S263-A266 WeakPolarHBondContact O-CB 3.43Å; S263-A266 PolarHBondContact O-N 2.96Å; S263-A266 WeakPolarHBondContact OG-CB 3.39Å; S263-A266 PolarHBondContact OG-N 3.43Å; I264-A266 VanDerWaalsContact C-N 3.34Å; A266-L269 PolarHBondContact O-N 2.62Å; A266-I270 WeakPolarHBondContact O-CB 3.43Å; A266-I270 WeakPolarHBondContact O-CD1 3.37Å; A266-I270 VanDerWaalsContact O-CG1 3.3Å; A266-I270 WeakPolarHBondContact O-CG1 3.41Å; A266-I270 PolarHBondContact O-N 2.85Å; A266-L296 HydrophobicContact CB-CD2 3.61Å
267V97.8Very high96.5Very high0 Ų023.5 Ų23.50%012%0.118CC..Hα-helixtrans-58.7-49.5172.8172.80000110.9L152 I165 L262 S263 I264 L269 I270 L271L152-V267 HydrophobicContact CB-CG1 3.96Å; L152-V267 HydrophobicContact CD2-CG1 4.19Å; L152-V267 HydrophobicContact CD2-CG2 3.9Å; L152-V267 HydrophobicContact CG-CG1 4.49Å; I165-V267 HydrophobicContact CD1-CG2 3.88Å; I165-V267 HydrophobicContact CG1-CG2 4.31Å; L262-V267 HydrophobicContact CB-CG2 3.73Å; L262-V267 HydrophobicContact CD1-CG2 4.03Å; S263-V267 PolarHBondContact O-N 2.92Å; I264-V267 WeakPolarHBondContact O-CB 3.17Å; I264-V267 PolarHBondContact O-N 3.4Å; V267-L269 VanDerWaalsContact C-N 3.34Å; V267-L269 PolarHBondContact O-N 3.29Å; V267-I270 PolarHBondContact O-N 3.18Å; V267-L271 HydrophobicContact CG1-CD1 3.97Å; V267-L271 HydrophobicContact CG1-CG 4.49Å; V267-L271 WeakPolarHBondContact O-CG 3.41Å; V267-L271 PolarHBondContact O-N 2.96Å
268Q96.3Very high96.4Very high80 Ų8024 Ų2437%0.37412%0.119SC..Hα-helixtrans-59.2-44.6177.2-75.9170.1-6.400112.2N156 I264 S265 K272N156-Q268 WeakPolarHBondContact OD1-CG 3.35Å; I264-Q268 WeakPolarHBondContact O-CG 3.39Å; I264-Q268 PolarHBondContact O-N 2.51Å; S265-Q268 PolarHBondContact O-N 2.82Å; Q268-K272 WeakPolarHBondContact O-CB 3.45Å; Q268-K272 PolarHBondContact O-N 2.97Å; Q268-K272 VanDerWaalsContact O-N 3.1Å
269L95.6Very high96.2Very high33 Ų3328.4 Ų28.417%0.17315%0.148CC..Hα-helixtrans-59.8-51.1176.8177.371.5000111.2L217 S265 A266 V267 L271 K272 V273 L296L217-L269 HydrophobicContact CD1-CD2 4.35Å; L217-L269 HydrophobicContact CD2-CB 4.39Å; L217-L269 HydrophobicContact CD2-CD2 4.14Å; S265-L269 WeakPolarHBondContact O-CB 3.28Å; S265-L269 PolarHBondContact O-N 3.24Å; A266-L269 PolarHBondContact O-N 2.62Å; V267-L269 VanDerWaalsContact C-N 3.34Å; V267-L269 PolarHBondContact O-N 3.29Å; L269-L271 PolarHBondContact O-N 2.86Å; L269-K272 WeakPolarHBondContact O-CB 3.3Å; L269-K272 PolarHBondContact O-N 2.78Å; L269-K272 VanDerWaalsContact O-N 3.17Å; L269-V273 WeakPolarHBondContact O-CG2 3.26Å; L269-V273 PolarHBondContact O-N 2.98Å; L269-L296 HydrophobicContact CD2-CB 3.74Å; L269-L296 HydrophobicContact CD2-CD2 4.14Å
270I97.1Very high96.1Very high0 Ų028.5 Ų28.50%015%0.148CC..Hα-helixtrans-57.6-49.7179.8-73.7160.4000110.4L152 L262 A266 V267 K272 V273 A274 V287 A291L152-I270 HydrophobicContact CD1-CG2 4.41Å; L262-I270 HydrophobicContact CD1-CD1 3.77Å; L262-I270 HydrophobicContact CD2-CD1 3.74Å; L262-I270 HydrophobicContact CG-CD1 4.43Å; A266-I270 WeakPolarHBondContact O-CB 3.43Å; A266-I270 WeakPolarHBondContact O-CD1 3.37Å; A266-I270 VanDerWaalsContact O-CG1 3.3Å; A266-I270 WeakPolarHBondContact O-CG1 3.41Å; A266-I270 PolarHBondContact O-N 2.85Å; V267-I270 PolarHBondContact O-N 3.18Å; I270-K272 PolarHBondContact O-N 2.88Å; I270-V273 PolarHBondContact O-N 2.82Å; I270-A274 WeakPolarHBondContact O-CA 3.37Å; I270-A274 WeakPolarHBondContact O-CB 3.45Å; I270-A274 PolarHBondContact O-N 3.33Å; I270-V287 HydrophobicContact CD1-CG1 4.02Å; I270-A291 HydrophobicContact CG1-CB 4.4Å
271L97Very high95.9Very high23 Ų2329 Ų2912%0.1215%0.151CC..Hα-helixtrans-60.4-33.8179.7-70.6171.9000112.8L51 L149 L152 N153 N156 V267 L269 V273L51-L271 HydrophobicContact CD1-CD2 4.09Å; L149-L271 HydrophobicContact CD2-CD2 4.26Å; L152-L271 HydrophobicContact CB-CD2 4.22Å; L152-L271 HydrophobicContact CB-CG 4.49Å; N153-L271 HydrophobicContact CB-CD1 4.46Å; N153-L271 HydrophobicContact CB-CD2 4.19Å; N156-L271 HydrophobicContact CB-CD1 3.66Å; V267-L271 HydrophobicContact CG1-CD1 3.97Å; V267-L271 HydrophobicContact CG1-CG 4.49Å; V267-L271 WeakPolarHBondContact O-CG 3.41Å; V267-L271 PolarHBondContact O-N 2.96Å; L269-L271 PolarHBondContact O-N 2.86Å; L271-V273 VanDerWaalsContact C-N 3.34Å; L271-V273 PolarHBondContact O-N 3.44Å
272K95.9Very high95.9Very high126 Ų12629.4 Ų29.455%0.54815%0.154SC..Hα-helixtrans-69.3-29.2179.6-163-177.2-157.9-161.90113.2P47 G48 Q268 L269 I270P47-K272 WeakPolarHBondContact CA-O 3.33Å; P47-K272 HydrophobicContact CB-CD 4.26Å; P47-K272 HydrophobicContact CB-CG 3.76Å; P47-K272 HydrophobicContact CG-CD 3.8Å; P47-K272 HydrophobicContact CG-CG 3.88Å; G48-K272 PolarHBondContact N-O 2.9Å; Q268-K272 WeakPolarHBondContact O-CB 3.45Å; Q268-K272 PolarHBondContact O-N 2.97Å; Q268-K272 VanDerWaalsContact O-N 3.1Å; L269-K272 WeakPolarHBondContact O-CB 3.3Å; L269-K272 PolarHBondContact O-N 2.78Å; L269-K272 VanDerWaalsContact O-N 3.17Å; I270-K272 PolarHBondContact O-N 2.88Å
273V95.7Very high95.8Very high3 Ų329.8 Ų29.82%0.01816%0.155CC..Hα-helixtrans-114.1-11.1-174.4-56.30000114.1L269 I270 L271 S275 R276 S290 R293L269-V273 WeakPolarHBondContact O-CG2 3.26Å; L269-V273 PolarHBondContact O-N 2.98Å; I270-V273 PolarHBondContact O-N 2.82Å; L271-V273 VanDerWaalsContact C-N 3.34Å; L271-V273 PolarHBondContact O-N 3.44Å; V273-S275 VanDerWaalsContact C-N 3.27Å; V273-S275 PolarHBondContact O-N 3.47Å; V273-R276 VanDerWaalsContact O-CB 3.29Å; V273-R276 WeakPolarHBondContact O-CB 3.42Å; V273-R276 PolarHBondContact O-N 2.75Å; V273-S290 WeakPolarHBondContact CG2-O 3.03Å; V273-R293 HydrophobicContact CG2-CB 4.37Å
274A96.1Very high95.8Very high1 Ų131 Ų311%0.00816%0.162CC..G310 helixtrans-56.9-35-174.300000113.7L51 L149 I270 R276 A277 F286L51-A274 HydrophobicContact CD1-CB 3.77Å; L51-A274 HydrophobicContact CD2-CB 4.09Å; L51-A274 HydrophobicContact CG-CB 4.3Å; L149-A274 HydrophobicContact CD2-CB 4.35Å; I270-A274 WeakPolarHBondContact O-CA 3.37Å; I270-A274 WeakPolarHBondContact O-CB 3.45Å; I270-A274 PolarHBondContact O-N 3.33Å; A274-R276 PolarHBondContact O-N 2.79Å; A274-R276 VanDerWaalsContact O-N 3.13Å; A274-A277 WeakPolarHBondContact O-CB 3.42Å; A274-A277 PolarHBondContact O-N 2.79Å; A274-F286 HydrophobicContact CB-CE1 3.92Å; A274-F286 HydrophobicContact CB-CZ 3.96Å; A274-F286 WeakPolarHBondContact O-CZ 3.34Å
275S95.7Very high95.9Very high38 Ų3830.7 Ų30.727%0.26616%0.16SC..G310 helixtrans-68.6-8.2176.755.30000114.1G48 P49 V273G48-S275 VanDerWaalsContact CA-OG 3.28Å; G48-S275 WeakPolarHBondContact CA-OG 3.34Å; P49-S275 WeakPolarHBondContact CD-OG 3.06Å; P49-S275 VanDerWaalsContact O-CB 3.29Å; P49-S275 WeakPolarHBondContact O-CB 3.38Å; P49-S275 PolarHBondContact O-OG 3.13Å; V273-S275 VanDerWaalsContact C-N 3.27Å; V273-S275 PolarHBondContact O-N 3.47Å
276R93.8Very high96.1Very high119 Ų11929.7 Ų29.745%0.44915%0.153SC..G310 helixtrans-92-10.1171.6-57.1-67.2-167155.4-0.7112.8S46 P47 V273 A274 R293S46-R276 PolarHBondContact OG-NH2 3.42Å; P47-R276 PolarHBondContact O-NE 3.45Å; P47-R276 PolarHBondContact O-NH2 2.78Å; V273-R276 VanDerWaalsContact O-CB 3.29Å; V273-R276 WeakPolarHBondContact O-CB 3.42Å; V273-R276 PolarHBondContact O-N 2.75Å; A274-R276 PolarHBondContact O-N 2.79Å; A274-R276 VanDerWaalsContact O-N 3.13Å; R276-R293 PolarHBondContact O-NE 3.46Å; R276-R293 PolarHBondContact O-NH2 3.1Å
277A93.7Very high96.1Very high11 Ų1129.8 Ų29.89%0.09115%0.153CC..SBendtrans-85.3147.1174.700000110.2A274 F286 V289A274-A277 WeakPolarHBondContact O-CB 3.42Å; A274-A277 PolarHBondContact O-N 2.79Å; A277-F286 HydrophobicContact CB-CD2 4.42Å; A277-F286 HydrophobicContact CB-CE2 3.88Å; A277-F286 HydrophobicContact CB-CZ 4.18Å; A277-V289 HydrophobicContact CB-CG1 3.92Å
278P93.9Very high96.1Very high21 Ų2129.8 Ų29.814%0.13615%0.153CC..  trans-56.1143.5168-19.430.5000110.1L243 W248 L280 F286L243-P278 WeakPolarHBondContact O-CB 3.5Å; W248-P278 HydrophobicContact CH2-CG 4.24Å; W248-P278 HydrophobicContact CZ3-CG 3.94Å; P278-L280 HydrophobicContact CB-CD2 4.39Å; P278-L280 HydrophobicContact CB-CG 4.27Å; P278-L280 PolarHBondContact O-N 2.79Å; P278-F286 VanDerWaalsContact O-CD2 3.31Å; P278-F286 WeakPolarHBondContact O-CD2 3.33Å; P278-F286 WeakPolarHBondContact O-CE2 3.4Å
279P93.5Very high96.1Very high103 Ų10326.4 Ų26.467%0.66914%0.138SC*.  trans-74.968.1-178.432.3-36.2000111.2L243L243-P279 HydrophobicContact CD2-CG 4.04Å
280L95.8Very high96.2Very high2 Ų224.8 Ų24.81%0.0113%0.129CC..  trans-68133.1-176.5-64.1171.2000110.6T145 V239 L243 W244 P278 L282 V285 F286 V289T145-L280 PolarHBondContact OG1-O 2.76Å; V239-L280 HydrophobicContact CG1-CD2 3.87Å; L243-L280 HydrophobicContact CB-CD2 4.18Å; W244-L280 HydrophobicContact CE3-CD1 4.18Å; W244-L280 HydrophobicContact CE3-CD2 4.47Å; W244-L280 HydrophobicContact CZ3-CD1 4.27Å; P278-L280 HydrophobicContact CB-CD2 4.39Å; P278-L280 HydrophobicContact CB-CG 4.27Å; P278-L280 PolarHBondContact O-N 2.79Å; L280-L282 PolarHBondContact O-N 3Å; L280-V285 HydrophobicContact CD1-CG1 3.79Å; L280-F286 HydrophobicContact CB-CB 4.31Å; L280-F286 HydrophobicContact CB-CD2 4.35Å; L280-V289 HydrophobicContact CD1-CG2 4.15Å
281P93.8Very high96.1Very high11 Ų1124.8 Ų24.87%0.07113%0.129CC..SBendtrans-79.211.5175.836.8-39.5000112.7R142R142-P281 HydrophobicContact CB-CB 4.36Å
282L97.3Very high96Very high9 Ų929.5 Ų29.55%0.04715%0.145CC..  trans-110.6104.6174.9-54.1-176.6000107.1H237 V239 F251 L280 D284 V285 F286H237-L282 HydrophobicContact CB-CD2 4.19Å; V239-L282 HydrophobicContact CG2-CD1 3.5Å; V239-L282 VanDerWaalsContact CG2-CD1 3.5Å; V239-L282 HydrophobicContact CG2-CG 3.94Å; F251-L282 HydrophobicContact CE2-CD1 4.38Å; F251-L282 HydrophobicContact CZ-CD1 4.46Å; L280-L282 PolarHBondContact O-N 3Å; L282-D284 PolarHBondContact O-N 3.24Å; L282-V285 HydrophobicContact CB-CB 3.87Å; L282-V285 HydrophobicContact CB-CG2 3.78Å; L282-V285 HydrophobicContact CD1-CG2 3.91Å; L282-V285 PolarHBondContact O-N 2.72Å; L282-F286 WeakPolarHBondContact O-CB 3.44Å; L282-F286 PolarHBondContact O-N 2.57Å
283E97.4Very high96Very high8 Ų827.6 Ų27.64%0.03714%0.135CC..Hα-helixtrans-61.7-45.5-169.2177.3-86.5166.500113L144 T145 T148 K167 Y260 F286 V287L144-E283 HydrophobicContact CB-CB 3.77Å; L144-E283 HydrophobicContact CB-CG 4.25Å; T145-E283 WeakPolarHBondContact OG1-CA 3.35Å; T148-E283 VanDerWaalsContact CB-OE1 3.25Å; T148-E283 WeakPolarHBondContact CB-OE1 3.41Å; T148-E283 HydrophobicContact CG2-CG 4.28Å; T148-E283 WeakPolarHBondContact CG2-OE1 3.34Å; T148-E283 WeakPolarHBondContact OG1-CG 3.41Å; T148-E283 PolarHBondContact OG1-OE1 3.43Å; K167-E283 IonicContact NZ-OE2 2.79Å; Y260-E283 PolarHBondContact OH-OE1 3.28Å; E283-F286 WeakPolarHBondContact O-CB 3.38Å; E283-F286 PolarHBondContact O-N 3.42Å; E283-V287 WeakPolarHBondContact O-CG2 3.25Å; E283-V287 PolarHBondContact O-N 3.25Å
284D97.9Very high95.9Very high26 Ų2627.7 Ų27.714%0.13914%0.136CC..Hα-helixtrans-66.5-44-179.853.7-7.1000112.1Y254 A255 G257 L282 V287 G288Y254-D284 HydrophobicContact CD2-CB 3.97Å; Y254-D284 HydrophobicContact CE2-CB 4.24Å; A255-D284 WeakPolarHBondContact O-CB 3.42Å; G257-D284 PolarHBondContact N-OD2 2.99Å; L282-D284 PolarHBondContact O-N 3.24Å; D284-V287 PolarHBondContact O-N 3.39Å; D284-G288 PolarHBondContact O-N 3.36Å
285V98Very high95.8Very high2 Ų228.8 Ų28.81%0.01215%0.148CC..Hα-helixtrans-62.1-44.3172.4-175.90000110.7F251 Y254 L280 L282 V287 G288 V289F251-V285 HydrophobicContact CB-CG1 4.11Å; F251-V285 HydrophobicContact CD1-CG1 3.53Å; F251-V285 HydrophobicContact CD2-CG1 3.87Å; F251-V285 HydrophobicContact CD2-CG2 4.12Å; F251-V285 HydrophobicContact CE1-CG1 3.83Å; F251-V285 HydrophobicContact CE2-CG1 4.13Å; F251-V285 HydrophobicContact CE2-CG2 4.22Å; F251-V285 HydrophobicContact CG-CG1 3.56Å; F251-V285 HydrophobicContact CZ-CG1 4.11Å; Y254-V285 HydrophobicContact CD1-CG2 4.32Å; Y254-V285 HydrophobicContact CD2-CG2 4.2Å; Y254-V285 HydrophobicContact CE1-CG2 3.93Å; Y254-V285 HydrophobicContact CE2-CG2 3.79Å; Y254-V285 HydrophobicContact CG-CG2 4.46Å; L280-V285 HydrophobicContact CD1-CG1 3.79Å; L282-V285 HydrophobicContact CB-CB 3.87Å; L282-V285 HydrophobicContact CB-CG2 3.78Å; L282-V285 HydrophobicContact CD1-CG2 3.91Å; L282-V285 PolarHBondContact O-N 2.72Å; V285-V287 VanDerWaalsContact C-N 3.33Å; V285-V287 PolarHBondContact O-N 3.31Å; V285-G288 PolarHBondContact O-N 3.32Å; V285-V289 HydrophobicContact CG1-CG2 4.14Å; V285-V289 WeakPolarHBondContact O-CB 3.29Å; V285-V289 VanDerWaalsContact O-CG2 3.29Å; V285-V289 WeakPolarHBondContact O-CG2 3.48Å; V285-V289 PolarHBondContact O-N 3.44Å
286F98.1Very high95.7Very high8 Ų827.7 Ų27.74%0.03514%0.139CC..Hα-helixtrans-59.3-44.7178.5-178.3-84.7000111.6T145 L149 A274 A277 P278 L280 L282 E283 V289 S290T145-F286 HydrophobicContact CG2-CB 3.82Å; T145-F286 HydrophobicContact CG2-CD1 3.65Å; T145-F286 HydrophobicContact CG2-CD2 3.83Å; T145-F286 HydrophobicContact CG2-CE1 4.2Å; T145-F286 HydrophobicContact CG2-CE2 4.33Å; T145-F286 HydrophobicContact CG2-CG 3.45Å; T145-F286 VanDerWaalsContact CG2-CG 3.45Å; L149-F286 HydrophobicContact CD1-CE1 3.78Å; L149-F286 HydrophobicContact CD1-CZ 4.07Å; L149-F286 HydrophobicContact CD2-CE1 3.99Å; L149-F286 HydrophobicContact CG-CE1 4.21Å; A274-F286 HydrophobicContact CB-CE1 3.92Å; A274-F286 HydrophobicContact CB-CZ 3.96Å; A274-F286 WeakPolarHBondContact O-CZ 3.34Å; A277-F286 HydrophobicContact CB-CD2 4.42Å; A277-F286 HydrophobicContact CB-CE2 3.88Å; A277-F286 HydrophobicContact CB-CZ 4.18Å; P278-F286 VanDerWaalsContact O-CD2 3.31Å; P278-F286 WeakPolarHBondContact O-CD2 3.33Å; P278-F286 WeakPolarHBondContact O-CE2 3.4Å; L280-F286 HydrophobicContact CB-CB 4.31Å; L280-F286 HydrophobicContact CB-CD2 4.35Å; L282-F286 WeakPolarHBondContact O-CB 3.44Å; L282-F286 PolarHBondContact O-N 2.57Å; E283-F286 WeakPolarHBondContact O-CB 3.38Å; E283-F286 PolarHBondContact O-N 3.42Å; F286-V289 PolarHBondContact O-N 3.06Å; F286-S290 WeakPolarHBondContact CE1-OG 3.15Å; F286-S290 VanDerWaalsContact O-CB 3.32Å; F286-S290 WeakPolarHBondContact O-CB 3.36Å; F286-S290 PolarHBondContact O-N 2.77Å; F286-S290 PolarHBondContact O-OG 2.81Å
287V98.3Very high95.6Very high2 Ų222.9 Ų22.91%0.01213%0.125CC..Hα-helixtrans-62.5-45.9176.2171.10000110.5T148 Y219 Y260 I270 E283 D284 V285 S290 A291T148-V287 HydrophobicContact CG2-CG2 4.16Å; Y219-V287 HydrophobicContact CE1-CG1 4.44Å; Y219-V287 HydrophobicContact CE2-CG1 4.15Å; Y260-V287 HydrophobicContact CE2-CG1 4.31Å; I270-V287 HydrophobicContact CD1-CG1 4.02Å; E283-V287 WeakPolarHBondContact O-CG2 3.25Å; E283-V287 PolarHBondContact O-N 3.25Å; D284-V287 PolarHBondContact O-N 3.39Å; V285-V287 VanDerWaalsContact C-N 3.33Å; V285-V287 PolarHBondContact O-N 3.31Å; V287-S290 PolarHBondContact O-N 3.31Å; V287-A291 WeakPolarHBondContact O-CB 3.3Å; V287-A291 PolarHBondContact O-N 3.19Å
288G97.4Very high95.7Very high0 Ų022.7 Ų22.70%012%0.122CC..Hα-helixtrans-63.8-41.7177.400000114.1D284 V285 S290 A291 R292D284-G288 PolarHBondContact O-N 3.36Å; V285-G288 PolarHBondContact O-N 3.32Å; G288-S290 VanDerWaalsContact C-N 3.35Å; G288-A291 PolarHBondContact O-N 3.47Å; G288-R292 WeakPolarHBondContact O-CB 3.3Å; G288-R292 PolarHBondContact O-N 3.17Å
289V96.6Very high95.7Very high8 Ų822.6 Ų22.65%0.04812%0.122CC..Hα-helixtrans-62.6-43.3174170.30000110.8W244 P252 A277 L280 V285 F286 R292 R293W244-V289 HydrophobicContact CH2-CG2 3.92Å; W244-V289 HydrophobicContact CZ3-CG1 4.41Å; W244-V289 HydrophobicContact CZ3-CG2 3.72Å; P252-V289 HydrophobicContact CG-CB 4.5Å; P252-V289 HydrophobicContact CG-CG2 3.75Å; A277-V289 HydrophobicContact CB-CG1 3.92Å; L280-V289 HydrophobicContact CD1-CG2 4.15Å; V285-V289 HydrophobicContact CG1-CG2 4.14Å; V285-V289 WeakPolarHBondContact O-CB 3.29Å; V285-V289 VanDerWaalsContact O-CG2 3.29Å; V285-V289 WeakPolarHBondContact O-CG2 3.48Å; V285-V289 PolarHBondContact O-N 3.44Å; F286-V289 PolarHBondContact O-N 3.06Å; V289-R292 PolarHBondContact O-N 3.29Å; V289-R293 WeakPolarHBondContact O-CG 3.13Å; V289-R293 PolarHBondContact O-N 3.26Å
290S97.1Very high95.6Very high0 Ų017.8 Ų17.80%09%0.09CC..Hα-helixtrans-65.3-44.7177.6-60.40000111.6V273 F286 V287 G288 R292 R293 G294V273-S290 WeakPolarHBondContact CG2-O 3.03Å; F286-S290 WeakPolarHBondContact CE1-OG 3.15Å; F286-S290 VanDerWaalsContact O-CB 3.32Å; F286-S290 WeakPolarHBondContact O-CB 3.36Å; F286-S290 PolarHBondContact O-N 2.77Å; F286-S290 PolarHBondContact O-OG 2.81Å; V287-S290 PolarHBondContact O-N 3.31Å; G288-S290 VanDerWaalsContact C-N 3.35Å; S290-R292 PolarHBondContact O-N 3.5Å; S290-R293 PolarHBondContact O-N 3.17Å; S290-G294 PolarHBondContact O-N 3.47Å
291A96.3Very high95.4Very high0 Ų017.7 Ų17.70%09%0.089CC..Hα-helixtrans-58.2-49.4175.400000111Y219 I270 V287 G288 R293 G294 G295 L296Y219-A291 HydrophobicContact CD1-CB 3.82Å; Y219-A291 HydrophobicContact CE1-CB 3.94Å; I270-A291 HydrophobicContact CG1-CB 4.4Å; V287-A291 WeakPolarHBondContact O-CB 3.3Å; V287-A291 PolarHBondContact O-N 3.19Å; G288-A291 PolarHBondContact O-N 3.47Å; A291-R293 VanDerWaalsContact C-N 3.31Å; A291-R293 PolarHBondContact O-N 2.92Å; A291-G294 CarbonylContact O-C 3.56Å; A291-G294 WeakPolarHBondContact O-CA 3.34Å; A291-G294 PolarHBondContact O-N 2.97Å; A291-G295 PolarHBondContact O-N 2.87Å; A291-L296 CarbonylContact C-O 3.54Å; A291-L296 HydrophobicContact CB-CB 4.21Å; A291-L296 HydrophobicContact CB-CD2 4.42Å; A291-L296 HydrophobicContact CB-CG 4.36Å; A291-L296 WeakPolarHBondContact O-CB 3.35Å; A291-L296 PolarHBondContact O-N 3.47Å
292R95.1Very high95.1Very high121 Ų12117.5 Ų17.546%0.4579%0.088SC..Hα-helixtrans-59.9-40.8177.4-179.6173.6-180-115.23.9112.3L41 P42 P252 G288 V289 S290 G294 G295 L296L41-R292 HydrophobicContact CD2-CG 4.33Å; P42-R292 HydrophobicContact CG-CG 4.32Å; P252-R292 HydrophobicContact CB-CB 4.32Å; P252-R292 HydrophobicContact CB-CG 4.37Å; P252-R292 HydrophobicContact CG-CB 4.47Å; G288-R292 WeakPolarHBondContact O-CB 3.3Å; G288-R292 PolarHBondContact O-N 3.17Å; V289-R292 PolarHBondContact O-N 3.29Å; S290-R292 PolarHBondContact O-N 3.5Å; R292-G294 PolarHBondContact O-N 3.31Å; R292-G295 PolarHBondContact O-N 3.17Å; R292-L296 WeakPolarHBondContact CA-O 3.41Å; R292-L296 PolarHBondContact N-O 3.46Å
293R94.1Very high94.8Very high87 Ų8719.7 Ų19.733%0.32810%0.097SC..Hα-helixtrans-62.4-33.2174.3-77.3-178.5176.2-83.72.7112A45 V273 R276 V289 S290 A291 G295A45-R293 HydrophobicContact CB-CB 4.39Å; A45-R293 WeakPolarHBondContact CB-O 3.27Å; A45-R293 PolarHBondContact N-O 3.27Å; V273-R293 HydrophobicContact CG2-CB 4.37Å; R276-R293 PolarHBondContact O-NE 3.46Å; R276-R293 PolarHBondContact O-NH2 3.1Å; V289-R293 WeakPolarHBondContact O-CG 3.13Å; V289-R293 PolarHBondContact O-N 3.26Å; S290-R293 PolarHBondContact O-N 3.17Å; A291-R293 VanDerWaalsContact C-N 3.31Å; A291-R293 PolarHBondContact O-N 2.92Å; R293-G295 PolarHBondContact O-N 3.03Å
294G94.4Very high94.6Very high4 Ų419.3 Ų19.34%0.04110%0.095CC..THydrogen-bonded Turntrans-76.40.2172.200000114.8S290 A291 R292S290-G294 PolarHBondContact O-N 3.47Å; A291-G294 CarbonylContact O-C 3.56Å; A291-G294 WeakPolarHBondContact O-CA 3.34Å; A291-G294 PolarHBondContact O-N 2.97Å; R292-G294 PolarHBondContact O-N 3.31Å
295G93.1Very high94.3Very high24 Ų2418 Ų1825%0.2479%0.089CC..THydrogen-bonded Turntrans73.228.8-173.300000113.4L41 A291 R292 R293L41-G295 VanDerWaalsContact CD1-O 3.23Å; L41-G295 WeakPolarHBondContact CD1-O 3.44Å; A291-G295 PolarHBondContact O-N 2.87Å; R292-G295 PolarHBondContact O-N 3.17Å; R293-G295 PolarHBondContact O-N 3.03Å
296L93.4Very high93.9Very high15 Ų1518 Ų188%0.0799%0.089CC..  trans-116.2125.8176.317960.4000110.9L217 A266 L269 A291 R292L217-L296 HydrophobicContact CB-CD1 4Å; A266-L296 HydrophobicContact CB-CD2 3.61Å; L269-L296 HydrophobicContact CD2-CB 3.74Å; L269-L296 HydrophobicContact CD2-CD2 4.14Å; A291-L296 CarbonylContact C-O 3.54Å; A291-L296 HydrophobicContact CB-CB 4.21Å; A291-L296 HydrophobicContact CB-CD2 4.42Å; A291-L296 HydrophobicContact CB-CG 4.36Å; A291-L296 WeakPolarHBondContact O-CB 3.35Å; A291-L296 PolarHBondContact O-N 3.47Å; R292-L296 WeakPolarHBondContact CA-O 3.41Å; R292-L296 PolarHBondContact N-O 3.46Å
297A93.5Very high93.5Very high19 Ų1921 Ų2116%0.15712%0.115CC..PPolyproline II helixtrans-97.5146.6170.600000110.7L41L41-A297 HydrophobicContact CD1-CB 3.85Å; L41-A297 HydrophobicContact CD2-CB 4.13Å; L41-A297 HydrophobicContact CG-CB 4.38Å
298P95Very high92.9Very high6 Ų621.8 Ų21.84%0.03912%0.12CC..PPolyproline II helixtrans-70.2142.5168.131.2-34.8000111.3S34 Y219 V223 P253S34-P298 PolarHBondContact OG-O 2.93Å; Y219-P298 HydrophobicContact CD1-CB 3.55Å; Y219-P298 HydrophobicContact CD1-CG 4.33Å; Y219-P298 HydrophobicContact CE1-CB 3.64Å; Y219-P298 HydrophobicContact CE1-CG 4.19Å; Y219-P298 HydrophobicContact CG-CB 4.04Å; Y219-P298 CarbonylContact O-C 3.59Å; Y219-P298 VanDerWaalsContact O-CA 3.29Å; Y219-P298 WeakPolarHBondContact O-CA 3.49Å; V223-P298 HydrophobicContact CG1-CG 4.06Å; V223-P298 HydrophobicContact CG2-CB 3.68Å; V223-P298 HydrophobicContact CG2-CG 3.86Å; P253-P298 HydrophobicContact CB-CG 3.99Å; P253-P298 WeakPolarHBondContact O-CG 3.37Å
299T93Very high92.4Very high20 Ų2027.4 Ų27.412%0.12315%0.146CC..EExtended strand (participates in β ladder)trans-91.6122.5169.5-56.10000109Y219 L220 G221Y219-T299 PolarHBondContact O-N 2.97Å; L220-T299 HydrophobicContact CD1-CG2 3.99Å; G221-T299 PolarHBondContact N-O 3.49Å
300H92Very high91.9Very high1 Ų127.2 Ų27.21%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-63.6138.5174.7-169.891.9000110.9E30 E31 S34 G221 R222 V223 W225E30-H300 HydrophobicContact CB-CB 4.26Å; E30-H300 IonicContact OE2-CD2 2.91Å; E30-H300 IonicContact OE2-CE1 2.75Å; E30-H300 PolarHBondContact OE2-CE1 3.48Å; E30-H300 IonicContact OE2-CG 2.75Å; E30-H300 IonicContact OE2-ND1 3.97Å; E30-H300 PolarHBondContact OE2-ND1 3.03Å; E30-H300 IonicContact OE2-NE2 3.7Å; E30-H300 PolarHBondContact OE2-NE2 2.85Å; E31-H300 VanDerWaalsContact CD-O 3.24Å; E31-H300 WeakPolarHBondContact CG-O 3.02Å; S34-H300 PolarHBondContact OG-N 2.87Å; S34-H300 VanDerWaalsContact OG-N 3.12Å; G221-H300 CarbonylContact O-C 3.05Å; G221-H300 WeakPolarHBondContact O-CA 3.29Å; R222-H300 PolarHBondContact NH1-CE1 2.82Å; R222-H300 PolarHBondContact NH1-NE2 2.89Å; V223-H300 HydrophobicContact CB-CB 4.25Å; V223-H300 HydrophobicContact CG2-CB 4.06Å; V223-H300 PolarHBondContact N-ND1 3.25Å; W225-H300 HydrophobicContact CZ2-CB 4.5Å
301C91Very high91.3Very high0 Ų029.4 Ų29.40%016%0.159CC..  trans-139.9110.3170.3-172.50000109.7L220 G221 K303 L304L220-C301 HydrophobicContact CD1-CB 3.72Å; L220-C301 HydrophobicContact CG-CB 3.97Å; G221-C301 PolarHBondContact O-N 3.43Å; C301-K303 PolarHBondContact O-N 3.5Å; C301-L304 HydrophobicContact CB-CD1 4.13Å; C301-L304 HydrophobicContact CB-CG 4.43Å; C301-L304 PolarHBondContact O-N 2.81Å; C301-L304 VanDerWaalsContact O-N 3.16Å
302V87.6Confident90.7Very high7 Ų732.8 Ų32.84%0.04218%0.176CC..THydrogen-bonded Turntrans-64.8-20-179.467.30000113L304 F320 A367V302-L304 VanDerWaalsContact C-N 3.3Å; V302-F320 HydrophobicContact CG1-CE2 4.44Å; V302-F320 HydrophobicContact CG1-CZ 3.95Å; V302-F320 HydrophobicContact CG2-CZ 4.43Å; V302-A367 HydrophobicContact CG2-CB 3.36Å
303K90.8Very high90.3Very high55 Ų5528.9 Ų28.924%0.23917%0.165CC..THydrogen-bonded Turntrans-75.3-18.9178.5-54.3180-176.3174.50112.9E182 C301 F320 L321 L322E182-K303 IonicContact OE2-NZ 2.9Å; E182-K303 PolarHBondContact OE2-NZ 2.81Å; C301-K303 PolarHBondContact O-N 3.5Å; K303-F320 VanDerWaalsContact CB-O 3.31Å; K303-F320 WeakPolarHBondContact CB-O 3.37Å; K303-F320 HydrophobicContact CG-CD2 4.37Å; K303-F320 HydrophobicContact CG-CE2 4.05Å; K303-F320 HydrophobicContact CG-CZ 4.35Å; K303-F320 WeakPolarHBondContact CG-O 3.18Å; K303-L321 WeakPolarHBondContact O-CA 3.32Å; K303-L322 HydrophobicContact CB-CB 4.4Å; K303-L322 HydrophobicContact CB-CD1 3.92Å; K303-L322 HydrophobicContact CB-CG 3.69Å; K303-L322 HydrophobicContact CD-CD1 4.25Å; K303-L322 HydrophobicContact CD-CG 4.25Å; K303-L322 PolarHBondContact O-N 3.19Å
304L93.5Very high89.8Confident0 Ų030 Ų300%017%0.169CC..BIsolated β-bridgetrans-84115.4167.9-67.8167.7000107.2L220 G221 R222 C301 V302 G306 L322 T323L220-L304 HydrophobicContact CG-CD1 4.24Å; G221-L304 VanDerWaalsContact CA-CD1 3.43Å; R222-L304 HydrophobicContact CB-CB 4.43Å; R222-L304 WeakPolarHBondContact CB-O 3.41Å; R222-L304 WeakPolarHBondContact CD-O 3.35Å; C301-L304 HydrophobicContact CB-CD1 4.13Å; C301-L304 HydrophobicContact CB-CG 4.43Å; C301-L304 PolarHBondContact O-N 2.81Å; C301-L304 VanDerWaalsContact O-N 3.16Å; V302-L304 VanDerWaalsContact C-N 3.3Å; L304-G306 PolarHBondContact O-N 3.11Å; L304-G306 VanDerWaalsContact O-N 3.14Å; L304-L322 HydrophobicContact CD2-CB 3.95Å; L304-T323 HydrophobicContact CD2-CG2 3.56Å; L304-T323 WeakPolarHBondContact CD2-OG1 3.39Å
305A91.3Very high89.4Confident0 Ų030.3 Ų30.30%017%0.17CC..  trans-63.3-24.7-168.600000114.6A307 T308 Y310 T323A305-A307 PolarHBondContact O-N 3.05Å; A305-T308 WeakPolarHBondContact O-CB 3.47Å; A305-T308 PolarHBondContact O-N 2.84Å; A305-T308 VanDerWaalsContact O-N 3.13Å; A305-T308 PolarHBondContact O-OG1 3.34Å; A305-Y310 HydrophobicContact CB-CD2 3.95Å; A305-Y310 HydrophobicContact CB-CE2 3.54Å; A305-T323 WeakPolarHBondContact CB-O 3.44Å; A305-T323 PolarHBondContact N-O 2.96Å; A305-T323 PolarHBondContact N-OG1 2.64Å
306G91.1Very high89Confident2 Ų229.1 Ų29.12%0.02116%0.158CC..THydrogen-bonded Turntrans59.3-131.3-167.700000110.6T258 L304 H325T258-G306 WeakPolarHBondContact CG2-O 3.29Å; T258-G306 VanDerWaalsContact OG1-C 3.31Å; T258-G306 VanDerWaalsContact OG1-CA 3.27Å; T258-G306 WeakPolarHBondContact OG1-CA 3.19Å; T258-G306 PolarHBondContact OG1-O 2.97Å; L304-G306 PolarHBondContact O-N 3.11Å; L304-G306 VanDerWaalsContact O-N 3.14Å; G306-H325 WeakPolarHBondContact O-CB 3.13Å
307A87.9Confident88.7Confident70 Ų7028.8 Ų28.858%0.57916%0.156SC*.THydrogen-bonded Turntrans-87.9-3.5176.200000113.9A305 H309A305-A307 PolarHBondContact O-N 3.05Å; A307-H309 PolarHBondContact O-N 3.24Å
308T87Confident88.4Confident19 Ų1928.2 Ų28.212%0.11715%0.152CC..  trans-68127.6-178.4-57.60000110.4A305 Y310 I366 S370A305-T308 WeakPolarHBondContact O-CB 3.47Å; A305-T308 PolarHBondContact O-N 2.84Å; A305-T308 VanDerWaalsContact O-N 3.13Å; A305-T308 PolarHBondContact O-OG1 3.34Å; T308-Y310 HydrophobicContact CG2-CD2 4.08Å; T308-Y310 HydrophobicContact CG2-CE1 4.3Å; T308-Y310 HydrophobicContact CG2-CE2 3.46Å; T308-Y310 VanDerWaalsContact CG2-CE2 3.46Å; T308-Y310 WeakPolarHBondContact O-CD2 3.36Å; T308-I366 HydrophobicContact CG2-CG2 3.88Å; T308-S370 WeakPolarHBondContact CG2-OG 3.4Å; T308-S370 WeakPolarHBondContact OG1-CB 3.49Å; T308-S370 PolarHBondContact OG1-OG 3.44Å
309H86.2Confident87.8Confident118 Ų11832.6 Ų32.655%0.54617%0.17SC..  trans-86.8127.2174.9-179.3-90.1000110.4A307A307-H309 PolarHBondContact O-N 3.24Å
310Y85.5Confident87.5Confident3 Ų332 Ų321%0.01217%0.166CC..  trans-112.3134.1174.4-64.7-95.9000108.9A305 T308 Y317 L321 C363 I366 A367A305-Y310 HydrophobicContact CB-CD2 3.95Å; A305-Y310 HydrophobicContact CB-CE2 3.54Å; T308-Y310 HydrophobicContact CG2-CD2 4.08Å; T308-Y310 HydrophobicContact CG2-CE1 4.3Å; T308-Y310 HydrophobicContact CG2-CE2 3.46Å; T308-Y310 VanDerWaalsContact CG2-CE2 3.46Å; T308-Y310 WeakPolarHBondContact O-CD2 3.36Å; Y310-Y317 PolarHBondContact O-OH 2.89Å; Y310-L321 HydrophobicContact CD1-CD1 4.01Å; Y310-L321 HydrophobicContact CD1-CD2 4.35Å; Y310-L321 HydrophobicContact CD2-CD1 3.78Å; Y310-L321 HydrophobicContact CD2-CD2 4.19Å; Y310-L321 HydrophobicContact CE1-CD2 4.08Å; Y310-L321 HydrophobicContact CE2-CD1 4.35Å; Y310-L321 HydrophobicContact CE2-CD2 3.92Å; Y310-L321 HydrophobicContact CG-CD1 3.58Å; Y310-L321 HydrophobicContact CG-CD2 4.41Å; Y310-C363 HydrophobicContact CD1-CB 4.39Å; Y310-C363 HydrophobicContact CE1-CB 4.37Å; Y310-I366 HydrophobicContact CD1-CB 4.11Å; Y310-I366 HydrophobicContact CD1-CD1 4.4Å; Y310-I366 HydrophobicContact CD1-CG2 3.71Å; Y310-I366 HydrophobicContact CE1-CB 3.81Å; Y310-I366 HydrophobicContact CE1-CG2 3.52Å; Y310-I366 HydrophobicContact CG-CG2 4.48Å; Y310-A367 HydrophobicContact CE1-CB 4.4Å; Y310-A367 WeakPolarHBondContact OH-CA 3.35Å; Y310-A367 WeakPolarHBondContact OH-CB 3.29Å
311P85.1Confident87.4Confident47 Ų4732 Ų3231%0.30517%0.166SC..  trans-61.7146.1170.828-33.3000109.7D313 Y317P311-D313 PolarHBondContact O-N 3.44Å; P311-Y317 WeakPolarHBondContact O-CE2 3.44Å
312L84.7Confident87.6Confident70 Ų7032.1 Ų32.137%0.36617%0.167SC..  trans-56.8111.1173.7-73.1174.8000109.5Y317 E334 A335 L338L312-Y317 HydrophobicContact CD2-CD1 4.33Å; L312-Y317 HydrophobicContact CD2-CE1 3.79Å; L312-Y317 HydrophobicContact CD2-CE2 4.21Å; L312-E334 HydrophobicContact CD1-CB 4.4Å; L312-A335 HydrophobicContact CD2-CB 3.81Å; L312-L338 HydrophobicContact CB-CD2 4.48Å
313D85Confident88Confident40 Ų4031.9 Ų31.921%0.21417%0.165CC..  trans-139.3128.2179.2175.7-79.8000108.9P311 C315 C316 Y317P311-D313 PolarHBondContact O-N 3.44Å; D313-C315 VanDerWaalsContact C-N 3.32Å; D313-C315 PolarHBondContact O-N 3.04Å; D313-C315 PolarHBondContact OD1-N 2.84Å; D313-C316 HydrophobicContact CB-CB 3.72Å; D313-C316 PolarHBondContact O-N 3.01Å; D313-C316 WeakPolarHBondContact OD1-CB 3.37Å; D313-C316 PolarHBondContact OD1-N 2.85Å; D313-Y317 WeakPolarHBondContact O-CB 3.43Å; D313-Y317 PolarHBondContact O-N 3.45Å
314R84.7Confident88.1Confident111 Ų11129.3 Ų29.342%0.41916%0.155SC..Hα-helixtrans-59.1-42.1-172.4-176.4171-179.9152.93.1112.7G318 L338 F350R314-G318 WeakPolarHBondContact O-CA 3.32Å; R314-G318 PolarHBondContact O-N 3.28Å; R314-L338 HydrophobicContact CB-CD1 3.86Å; R314-L338 HydrophobicContact CB-CD2 4.24Å; R314-L338 HydrophobicContact CB-CG 3.83Å; R314-L338 HydrophobicContact CG-CD1 4.27Å; R314-L338 HydrophobicContact CG-CG 4.19Å; R314-F350 HydrophobicContact CG-CE1 4.37Å; R314-F350 HydrophobicContact CG-CE2 4.45Å; R314-F350 HydrophobicContact CG-CZ 3.99Å; R314-F350 PolarHBondContact NE-O 3.48Å; R314-F350 WeakPolarHBondContact O-CE1 3.36Å
315C85.3Confident88.1Confident9 Ų930.9 Ų30.96%0.06116%0.162CC..Hα-helixtrans-81.2-37.8-176-59.80000111.2D313 K319 C351D313-C315 VanDerWaalsContact C-N 3.32Å; D313-C315 PolarHBondContact O-N 3.04Å; D313-C315 PolarHBondContact OD1-N 2.84Å; C315-K319 WeakPolarHBondContact O-CA 3.18Å; C315-K319 WeakPolarHBondContact O-CB 3.33Å; C315-K319 PolarHBondContact O-N 2.89Å; C315-C351 WeakPolarHBondContact CA-SG 3.16Å; C315-C351 HydrophobicContact CB-CB 4.24Å; C315-C351 WeakPolarHBondContact CB-SG 3.19Å; C315-C351 WeakPolarHBondContact SG-CB 3.38Å; C315-C351 CovalentContact SG-SG 2.04Å; C315-C351 PolarHBondContact SG-SG 3.03Å
316C85.2Confident88.1Confident0 Ų037.2 Ų37.20%019%0.189CC..Iπ-helixtrans-60.7-57.7174.8-171.40000111.7D313 F320 L321 C363D313-C316 HydrophobicContact CB-CB 3.72Å; D313-C316 PolarHBondContact O-N 3.01Å; D313-C316 WeakPolarHBondContact OD1-CB 3.37Å; D313-C316 PolarHBondContact OD1-N 2.85Å; C316-F320 PolarHBondContact O-N 3.46Å; C316-L321 PolarHBondContact O-N 3.27Å; C316-L321 WeakPolarHBondContact SG-CD1 3.46Å; C316-C363 HydrophobicContact CB-CB 4.08Å; C316-C363 WeakPolarHBondContact CB-SG 3.41Å; C316-C363 WeakPolarHBondContact SG-CB 3.21Å; C316-C363 CovalentContact SG-SG 2Å; C316-C363 PolarHBondContact SG-SG 3.01Å
317Y87.8Confident88.2Confident7 Ų737.3 Ų37.33%0.02719%0.189CC..Iπ-helixtrans-67.1-38.4-179.8-85.2-116.5000111.6Y173 N175 Y310 P311 L312 D313 L321 S324 A335Y173-Y317 AromaticContact CD1-CD1 3.88Å; Y173-Y317 HydrophobicContact CD1-CD1 3.88Å; Y173-Y317 HydrophobicContact CD1-CE1 4.34Å; Y173-Y317 HydrophobicContact CE1-CD1 4.21Å; Y173-Y317 HydrophobicContact CG-CD1 4.39Å; N175-Y317 PolarHBondContact ND2-O 2.75Å; Y310-Y317 PolarHBondContact O-OH 2.89Å; P311-Y317 WeakPolarHBondContact O-CE2 3.44Å; L312-Y317 HydrophobicContact CD2-CD1 4.33Å; L312-Y317 HydrophobicContact CD2-CE1 3.79Å; L312-Y317 HydrophobicContact CD2-CE2 4.21Å; D313-Y317 WeakPolarHBondContact O-CB 3.43Å; D313-Y317 PolarHBondContact O-N 3.45Å; Y317-L321 HydrophobicContact CD2-CD1 4.13Å; Y317-L321 HydrophobicContact CE2-CD1 4.13Å; Y317-S324 VanDerWaalsContact CE1-CB 3.45Å; Y317-S324 WeakPolarHBondContact CE1-OG 3.32Å; Y317-S324 VanDerWaalsContact CZ-OG 3.3Å; Y317-S324 WeakPolarHBondContact OH-CB 3.35Å; Y317-A335 HydrophobicContact CD1-CB 4.21Å; Y317-A335 HydrophobicContact CE1-CB 4.28Å
318G86.2Confident88.6Confident8 Ų837.2 Ų37.28%0.08218%0.179CC..Iπ-helixtrans-86.7-19.2-173.100000116.1N175 R314N175-G318 PolarHBondContact ND2-O 3.04Å; R314-G318 WeakPolarHBondContact O-CA 3.32Å; R314-G318 PolarHBondContact O-N 3.28Å
319K83.3Confident89Confident97 Ų9738 Ų3842%0.42219%0.185SC..Iπ-helixtrans-127.2-24-178.7-65.8-164173.3-169.80115.8C315 F350C315-K319 WeakPolarHBondContact O-CA 3.18Å; C315-K319 WeakPolarHBondContact O-CB 3.33Å; C315-K319 PolarHBondContact O-N 2.89Å; K319-F350 HydrophobicContact CD-CD1 4.39Å; K319-F350 HydrophobicContact CG-CD1 3.89Å; K319-F350 HydrophobicContact CG-CE1 4.07Å
320F85.9Confident89.5Confident7 Ų739.8 Ų39.83%0.03119%0.187CC..Iπ-helixtrans-110.8-56.2-173.9179.4-105.5000112.5V302 K303 C316 T360 C363 R364V302-F320 HydrophobicContact CG1-CE2 4.44Å; V302-F320 HydrophobicContact CG1-CZ 3.95Å; V302-F320 HydrophobicContact CG2-CZ 4.43Å; K303-F320 VanDerWaalsContact CB-O 3.31Å; K303-F320 WeakPolarHBondContact CB-O 3.37Å; K303-F320 HydrophobicContact CG-CD2 4.37Å; K303-F320 HydrophobicContact CG-CE2 4.05Å; K303-F320 HydrophobicContact CG-CZ 4.35Å; K303-F320 WeakPolarHBondContact CG-O 3.18Å; C316-F320 PolarHBondContact O-N 3.46Å; F320-T360 HydrophobicContact CB-CG2 4.33Å; F320-T360 HydrophobicContact CD2-CG2 3.91Å; F320-T360 HydrophobicContact CG-CG2 4.29Å; F320-C363 HydrophobicContact CD1-CB 3.73Å; F320-C363 HydrophobicContact CE1-CB 4.19Å; F320-R364 HydrophobicContact CD2-CG 4.23Å; F320-R364 HydrophobicContact CE1-CG 4.26Å; F320-R364 HydrophobicContact CE2-CG 3.52Å; F320-R364 HydrophobicContact CZ-CG 3.54Å
321L91Very high89.9Confident2 Ų242.2 Ų42.21%0.0120%0.198CC..  trans-74134-177.4-63.6177.1000110.8N175 K303 Y310 C316 Y317 S324N175-L321 WeakPolarHBondContact CB-O 3.5Å; K303-L321 WeakPolarHBondContact O-CA 3.32Å; Y310-L321 HydrophobicContact CD1-CD1 4.01Å; Y310-L321 HydrophobicContact CD1-CD2 4.35Å; Y310-L321 HydrophobicContact CD2-CD1 3.78Å; Y310-L321 HydrophobicContact CD2-CD2 4.19Å; Y310-L321 HydrophobicContact CE1-CD2 4.08Å; Y310-L321 HydrophobicContact CE2-CD1 4.35Å; Y310-L321 HydrophobicContact CE2-CD2 3.92Å; Y310-L321 HydrophobicContact CG-CD1 3.58Å; Y310-L321 HydrophobicContact CG-CD2 4.41Å; C316-L321 PolarHBondContact O-N 3.27Å; C316-L321 WeakPolarHBondContact SG-CD1 3.46Å; Y317-L321 HydrophobicContact CD2-CD1 4.13Å; Y317-L321 HydrophobicContact CE2-CD1 4.13Å; L321-S324 WeakPolarHBondContact CD1-OG 3.48Å
322L94.4Very high90.4Very high3 Ų340 Ų402%0.01618%0.184CC..SBendtrans-90.8-35.4170.8-62.3-178.4000111V174 N175 E178 L179 E182 K303 L304V174-L322 WeakPolarHBondContact CA-O 3.23Å; N175-L322 PolarHBondContact N-O 3.06Å; E178-L322 VanDerWaalsContact C-CD2 3.44Å; E178-L322 HydrophobicContact CB-CD2 3.72Å; L179-L322 HydrophobicContact CB-CD2 4.22Å; L179-L322 HydrophobicContact CD1-CB 4.48Å; L179-L322 HydrophobicContact CD1-CD1 3.91Å; E182-L322 HydrophobicContact CB-CD1 4.02Å; E182-L322 HydrophobicContact CG-CD1 3.89Å; K303-L322 HydrophobicContact CB-CB 4.4Å; K303-L322 HydrophobicContact CB-CD1 3.92Å; K303-L322 HydrophobicContact CB-CG 3.69Å; K303-L322 HydrophobicContact CD-CD1 4.25Å; K303-L322 HydrophobicContact CD-CG 4.25Å; K303-L322 PolarHBondContact O-N 3.19Å; L304-L322 HydrophobicContact CD2-CB 3.95Å
323T95.5Very high90.8Very high1 Ų140.5 Ų40.51%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-137.2150.6174.960.40000111.5V172 Y173 V174 L304 A305V172-T323 HydrophobicContact CG1-CG2 4.2Å; Y173-T323 CarbonylContact O-C 3.55Å; Y173-T323 WeakPolarHBondContact O-CA 3.41Å; V174-T323 HydrophobicContact CG2-CG2 4.32Å; L304-T323 HydrophobicContact CD2-CG2 3.56Å; L304-T323 WeakPolarHBondContact CD2-OG1 3.39Å; A305-T323 WeakPolarHBondContact CB-O 3.44Å; A305-T323 PolarHBondContact N-O 2.96Å; A305-T323 PolarHBondContact N-OG1 2.64Å
324S94Very high91.2Very high2 Ų241.9 Ų41.91%0.01419%0.19CC..EExtended strand (participates in β ladder)trans-138.7126.1173.1-56.70000109.9V172 Y173 Y317 L321 V327V172-S324 CarbonylContact C-O 3.54Å; V172-S324 VanDerWaalsContact CA-O 3.28Å; V172-S324 WeakPolarHBondContact CA-O 3.31Å; Y173-S324 PolarHBondContact N-O 3.33Å; Y173-S324 PolarHBondContact O-N 3.39Å; Y317-S324 VanDerWaalsContact CE1-CB 3.45Å; Y317-S324 WeakPolarHBondContact CE1-OG 3.32Å; Y317-S324 VanDerWaalsContact CZ-OG 3.3Å; Y317-S324 WeakPolarHBondContact OH-CB 3.35Å; L321-S324 WeakPolarHBondContact CD1-OG 3.48Å; S324-V327 WeakPolarHBondContact O-CG2 3.34Å
325H93.2Very high91.5Very high32 Ų3236.6 Ų36.615%0.14817%0.17CC..EExtended strand (participates in β ladder)trans-97.6163.2-173.9172.5-119.5000112.8D171 V172 T258 G306D171-H325 CarbonylContact O-C 3.49Å; D171-H325 IonicContact OD1-CD2 3.17Å; D171-H325 PolarHBondContact OD1-CD2 2.68Å; D171-H325 IonicContact OD1-NE2 3.53Å; D171-H325 IonicContact OD2-CD2 3.15Å; D171-H325 IonicContact OD2-NE2 2.75Å; D171-H325 PolarHBondContact OD2-NE2 3.19Å; V172-H325 HydrophobicContact CG2-CB 4.23Å; T258-H325 HydrophobicContact CG2-CB 4.05Å; G306-H325 WeakPolarHBondContact O-CB 3.13Å
326K91.8Very high91.9Very high134 Ų13439.5 Ų39.558%0.58318%0.179SC*.SBendtrans60.838.1-173.2-57.8-174.4177.41780113.7D171 Q331D171-K326 PolarHBondContact O-N 3.25Å; K326-Q331 PolarHBondContact O-OE1 2.8Å
327V92.7Very high92.1Very high3 Ų345.2 Ų45.22%0.01820%0.204CC..  trans-96.6104.5176.3-178.40000108.1D171 S324 Q331 M332D171-V327 CarbonylContact C-O 3.44Å; D171-V327 WeakPolarHBondContact CA-O 3.24Å; D171-V327 PolarHBondContact O-N 3.05Å; S324-V327 WeakPolarHBondContact O-CG2 3.34Å; V327-Q331 HydrophobicContact CG1-CB 3.81Å; V327-M332 HydrophobicContact CB-CE 4.16Å; V327-M332 HydrophobicContact CG1-CB 4Å; V327-M332 HydrophobicContact CG1-CE 3.95Å; V327-M332 VanDerWaalsContact CG1-N 3.31Å; V327-M332 HydrophobicContact CG1-SD 4.04Å
328D95.4Very high92.1Very high69 Ų6947.5 Ų47.537%0.36922%0.216SC..  trans-69.1168.5176.973.355.2000112.2W330 Q331 M332D328-W330 PolarHBondContact O-N 3.31Å; D328-W330 VanDerWaalsContact O-N 3.14Å; D328-W330 WeakPolarHBondContact OD1-CA 3.41Å; D328-W330 WeakPolarHBondContact OD1-CB 3.47Å; D328-W330 PolarHBondContact OD1-N 3.14Å; D328-Q331 PolarHBondContact O-N 3.23Å; D328-Q331 PolarHBondContact OD1-N 2.79Å; D328-Q331 VanDerWaalsContact OD2-CD 3.31Å; D328-Q331 WeakPolarHBondContact OD2-CG 3.49Å; D328-Q331 PolarHBondContact OD2-OE1 2.84Å; D328-M332 WeakPolarHBondContact O-CB 3.42Å; D328-M332 PolarHBondContact O-N 3.47Å
329P97.2Very high92.1Very high36 Ų3648 Ų4823%0.23422%0.218CC..Hα-helixtrans-54.4-33.6-177.3-30.437.5000115.5N85 Q86 A89 M332N85-P329 HydrophobicContact CB-CG 4.28Å; Q86-P329 HydrophobicContact CG-CG 3.93Å; A89-P329 HydrophobicContact CB-CB 3.75Å; P329-M332 WeakPolarHBondContact O-CB 3.34Å
330W96.2Very high92Very high154 Ų15446 Ų4658%0.58322%0.216SC*.Hα-helixtrans-78.5-47.7179.8175.584.8000110.4D328 M332 Q333 E334D328-W330 PolarHBondContact O-N 3.31Å; D328-W330 VanDerWaalsContact O-N 3.14Å; D328-W330 WeakPolarHBondContact OD1-CA 3.41Å; D328-W330 WeakPolarHBondContact OD1-CB 3.47Å; D328-W330 PolarHBondContact OD1-N 3.14Å; W330-M332 PolarHBondContact O-N 2.94Å; W330-Q333 WeakPolarHBondContact O-CB 3.24Å; W330-Q333 PolarHBondContact O-N 3.38Å; W330-E334 HydrophobicContact CD2-CG 4.32Å; W330-E334 HydrophobicContact CE3-CG 4.44Å; W330-E334 HydrophobicContact CH2-CG 4.19Å; W330-E334 WeakPolarHBondContact CH2-OE1 3.38Å; W330-E334 WeakPolarHBondContact CH2-OE2 3.34Å; W330-E334 HydrophobicContact CZ2-CG 4.05Å; W330-E334 WeakPolarHBondContact CZ2-OE1 3.41Å; W330-E334 VanDerWaalsContact CZ3-CD 3.44Å; W330-E334 HydrophobicContact CZ3-CG 4.38Å; W330-E334 WeakPolarHBondContact CZ3-OE2 3.39Å; W330-E334 PolarHBondContact O-N 3.47Å; W330-E334 VanDerWaalsContact O-N 3.08Å
331Q94.2Very high91Very high54 Ų5446.9 Ų46.925%0.25223%0.228SC..Hα-helixtrans-59.3-32.3173.6-68.7-178.2-25.500112.2K326 V327 D328 Q333 E334 A335K326-Q331 PolarHBondContact O-OE1 2.8Å; V327-Q331 HydrophobicContact CG1-CB 3.81Å; D328-Q331 PolarHBondContact O-N 3.23Å; D328-Q331 PolarHBondContact OD1-N 2.79Å; D328-Q331 VanDerWaalsContact OD2-CD 3.31Å; D328-Q331 WeakPolarHBondContact OD2-CG 3.49Å; D328-Q331 PolarHBondContact OD2-OE1 2.84Å; Q331-Q333 VanDerWaalsContact C-N 3.32Å; Q331-Q333 PolarHBondContact O-N 2.86Å; Q331-E334 PolarHBondContact O-N 2.7Å; Q331-A335 VanDerWaalsContact O-CB 3.3Å; Q331-A335 WeakPolarHBondContact O-CB 2.93Å; Q331-A335 PolarHBondContact O-N 3.25Å
332M95.2Very high88.7Confident2 Ų254.4 Ų54.41%0.0127%0.265CS..Hα-helixtrans-59.2-44.5175.3-168.469.170.700111.3A89 I90 S93 W94 V172 Y173 V327 D328 P329 W330 W336A89-M332 HydrophobicContact CB-CB 4.24Å; A89-M332 HydrophobicContact CB-CG 4.34Å; I90-M332 HydrophobicContact CG1-CE 4.21Å; S93-M332 WeakPolarHBondContact OG-CG 3.11Å; W94-M332 VanDerWaalsContact CD1-SD 3.54Å; W94-M332 PolarHBondContact NE1-SD 2.83Å; V172-M332 WeakPolarHBondContact O-CE 3.34Å; Y173-M332 HydrophobicContact CD2-SD 3.75Å; Y173-M332 HydrophobicContact CG-SD 4.32Å; V327-M332 HydrophobicContact CB-CE 4.16Å; V327-M332 HydrophobicContact CG1-CB 4Å; V327-M332 HydrophobicContact CG1-CE 3.95Å; V327-M332 VanDerWaalsContact CG1-N 3.31Å; V327-M332 HydrophobicContact CG1-SD 4.04Å; D328-M332 WeakPolarHBondContact O-CB 3.42Å; D328-M332 PolarHBondContact O-N 3.47Å; P329-M332 WeakPolarHBondContact O-CB 3.34Å; W330-M332 PolarHBondContact O-N 2.94Å; M332-W336 VanDerWaalsContact O-CB 3.28Å; M332-W336 WeakPolarHBondContact O-CB 3.28Å; M332-W336 PolarHBondContact O-N 2.63Å
333Q93.4Very high86.2Confident79 Ų7961.1 Ų61.137%0.36930%0.301SS..Hα-helixtrans-69.8-38.5177.7-66.4-179.6-0.800111.7W330 Q331 W336 K337W330-Q333 WeakPolarHBondContact O-CB 3.24Å; W330-Q333 PolarHBondContact O-N 3.38Å; Q331-Q333 VanDerWaalsContact C-N 3.32Å; Q331-Q333 PolarHBondContact O-N 2.86Å; Q333-W336 PolarHBondContact O-N 3.46Å; Q333-K337 WeakPolarHBondContact O-CB 3.5Å; Q333-K337 VanDerWaalsContact O-CG 3.29Å; Q333-K337 WeakPolarHBondContact O-CG 3.3Å; Q333-K337 PolarHBondContact O-N 2.91Å
334E92.3Very high83.8Confident70 Ų7065.2 Ų65.233%0.32734%0.343SS..Hα-helixtrans-64.3-48.9175.1-69.2-162.4123.500112.2L312 W330 Q331 W336 K337 L338L312-E334 HydrophobicContact CD1-CB 4.4Å; W330-E334 HydrophobicContact CD2-CG 4.32Å; W330-E334 HydrophobicContact CE3-CG 4.44Å; W330-E334 HydrophobicContact CH2-CG 4.19Å; W330-E334 WeakPolarHBondContact CH2-OE1 3.38Å; W330-E334 WeakPolarHBondContact CH2-OE2 3.34Å; W330-E334 HydrophobicContact CZ2-CG 4.05Å; W330-E334 WeakPolarHBondContact CZ2-OE1 3.41Å; W330-E334 VanDerWaalsContact CZ3-CD 3.44Å; W330-E334 HydrophobicContact CZ3-CG 4.38Å; W330-E334 WeakPolarHBondContact CZ3-OE2 3.39Å; W330-E334 PolarHBondContact O-N 3.47Å; W330-E334 VanDerWaalsContact O-N 3.08Å; Q331-E334 PolarHBondContact O-N 2.7Å; E334-W336 VanDerWaalsContact C-N 3.25Å; E334-W336 PolarHBondContact O-N 3.44Å; E334-K337 PolarHBondContact O-N 3.28Å; E334-L338 VanDerWaalsContact O-CB 3.25Å; E334-L338 WeakPolarHBondContact O-CB 3.37Å; E334-L338 PolarHBondContact O-N 3.43Å
335A91.9Very high81.4Confident0 Ų072.8 Ų72.80%038%0.378CS..Hα-helixtrans-56.7-42.6174.900000110.8Y173 L312 Y317 Q331 L338 V339Y173-A335 HydrophobicContact CD2-CB 3.66Å; Y173-A335 HydrophobicContact CE2-CB 3.83Å; Y173-A335 HydrophobicContact CG-CB 4.18Å; L312-A335 HydrophobicContact CD2-CB 3.81Å; Y317-A335 HydrophobicContact CD1-CB 4.21Å; Y317-A335 HydrophobicContact CE1-CB 4.28Å; Q331-A335 VanDerWaalsContact O-CB 3.3Å; Q331-A335 WeakPolarHBondContact O-CB 2.93Å; Q331-A335 PolarHBondContact O-N 3.25Å; A335-L338 PolarHBondContact O-N 2.75Å; A335-V339 WeakPolarHBondContact O-CB 3.43Å; A335-V339 WeakPolarHBondContact O-CG2 3.48Å; A335-V339 PolarHBondContact O-N 3.05Å
336W92.8Very high79.3Confident69 Ų6982.5 Ų82.526%0.26141%0.413SS..Hα-helixtrans-63.5-46.5176.4-179.7-117.3000113.4W94 I97 Y173 M332 Q333 E334 L338 V339 S340W94-W336 HydrophobicContact CB-CE3 4.24Å; W94-W336 HydrophobicContact CB-CZ3 4.27Å; I97-W336 HydrophobicContact CD1-CH2 3.73Å; I97-W336 HydrophobicContact CD1-CZ3 3.86Å; I97-W336 HydrophobicContact CG1-CH2 4.01Å; Y173-W336 HydrophobicContact CE2-CB 4.33Å; Y173-W336 HydrophobicContact CE2-CE3 4.41Å; M332-W336 VanDerWaalsContact O-CB 3.28Å; M332-W336 WeakPolarHBondContact O-CB 3.28Å; M332-W336 PolarHBondContact O-N 2.63Å; Q333-W336 PolarHBondContact O-N 3.46Å; E334-W336 VanDerWaalsContact C-N 3.25Å; E334-W336 PolarHBondContact O-N 3.44Å; W336-L338 VanDerWaalsContact C-N 3.31Å; W336-L338 PolarHBondContact O-N 3.38Å; W336-V339 PolarHBondContact O-N 2.91Å; W336-S340 WeakPolarHBondContact CH2-OG 3.28Å; W336-S340 WeakPolarHBondContact CZ2-OG 3.26Å; W336-S340 WeakPolarHBondContact CZ3-OG 3.39Å; W336-S340 WeakPolarHBondContact O-CB 3.18Å; W336-S340 PolarHBondContact O-N 3.11Å; W336-S340 PolarHBondContact O-OG 2.73Å
337K90.9Very high77Confident120 Ų12082.7 Ų82.752%0.52243%0.426SS..Hα-helixtrans-61.6-41175.4-73.6170.8-176.3173.70111.5Q333 E334 G341Q333-K337 WeakPolarHBondContact O-CB 3.5Å; Q333-K337 VanDerWaalsContact O-CG 3.29Å; Q333-K337 WeakPolarHBondContact O-CG 3.3Å; Q333-K337 PolarHBondContact O-N 2.91Å; E334-K337 PolarHBondContact O-N 3.28Å; K337-G341 PolarHBondContact O-N 3.22Å
338L87Confident75.1Confident55 Ų5585.9 Ų85.929%0.28845%0.453SS..Hα-helixtrans-63.1-42.6179.6-171.767.4000111.9L312 R314 E334 A335 W336L312-L338 HydrophobicContact CB-CD2 4.48Å; R314-L338 HydrophobicContact CB-CD1 3.86Å; R314-L338 HydrophobicContact CB-CD2 4.24Å; R314-L338 HydrophobicContact CB-CG 3.83Å; R314-L338 HydrophobicContact CG-CD1 4.27Å; R314-L338 HydrophobicContact CG-CG 4.19Å; E334-L338 VanDerWaalsContact O-CB 3.25Å; E334-L338 WeakPolarHBondContact O-CB 3.37Å; E334-L338 PolarHBondContact O-N 3.43Å; A335-L338 PolarHBondContact O-N 2.75Å; W336-L338 VanDerWaalsContact C-N 3.31Å; W336-L338 PolarHBondContact O-N 3.38Å
339V86.3Confident73.2Confident18 Ų1887.6 Ų87.611%0.10947%0.467CS..Hα-helixtrans-88.2-31-176.1175.80000113.6Y173 A335 W336 F350Y173-V339 WeakPolarHBondContact OH-CB 3.43Å; A335-V339 WeakPolarHBondContact O-CB 3.43Å; A335-V339 WeakPolarHBondContact O-CG2 3.48Å; A335-V339 PolarHBondContact O-N 3.05Å; W336-V339 PolarHBondContact O-N 2.91Å; V339-F350 HydrophobicContact CG1-CZ 4.28Å; V339-F350 WeakPolarHBondContact O-CE2 3.28Å
340S81.4Confident71.8Confident55 Ų5588.8 Ų88.839%0.38547%0.469SS..Hα-helixtrans-80.6-22.9-177.4-55.10000112.9W336W336-S340 WeakPolarHBondContact CH2-OG 3.28Å; W336-S340 WeakPolarHBondContact CZ2-OG 3.26Å; W336-S340 WeakPolarHBondContact CZ3-OG 3.39Å; W336-S340 WeakPolarHBondContact O-CB 3.18Å; W336-S340 PolarHBondContact O-N 3.11Å; W336-S340 PolarHBondContact O-OG 2.73Å
341G63.8Low70.7Confident27 Ų2781.7 Ų81.728%0.27844%0.443SS..  trans73.1139.1-165.800000110.8K337 N343K337-G341 PolarHBondContact O-N 3.22Å; G341-N343 PolarHBondContact O-N 3.07Å
342M43.2Very low69.9Low160 Ų16081.3 Ų81.379%0.78845%0.446SS*.SBendtrans-71.3113.9164.7-76.3176.1141.700107.5
343N41.8Very low68.9Low144 Ų14491.6 Ų91.677%0.7749%0.485SS*.SBendtrans73.8133.8172.3-57.3-14.9000116.9G341 E345G341-N343 PolarHBondContact O-N 3.07Å; N343-E345 PolarHBondContact O-N 2.95Å
344G45.6Very low68.2Low86 Ų8692.5 Ų92.589%0.88749%0.492SS*.SBendtrans-6936.3-172.800000116.7
345E43Very low67.4Low162 Ų16294.8 Ų94.876%0.75750%0.503SS*.  trans-109.584.7172.1-73.7176.6171.500108.9N343 T347N343-E345 PolarHBondContact O-N 2.95Å; E345-T347 PolarHBondContact O-N 3.11Å
346R48.7Very low66.5Low236 Ų23695.2 Ų95.289%0.89151%0.507SS*.  trans-73.370.5173.4-71.5-178.3-180176.31.2110.3
347T44.4Very low65.6Low137 Ų13797 Ų9784%0.8452%0.517SS*.  trans-83.9-17.5171.553.30000112.5E345E345-T347 PolarHBondContact O-N 3.11Å
348A52.3Low65Low71 Ų7196 Ų9659%0.58752%0.516SS*.SBendtrans-122.8147.1176.700000112.6F350A348-F350 PolarHBondContact O-N 3.07Å
349P56.8Low64.4Low104 Ų10493.7 Ų93.768%0.67551%0.506SS*.  trans-62.5136.8175.825.7-33000111.2C351P349-C351 PolarHBondContact O-N 3.44Å
350F67.5Low63.7Low62 Ų6294.3 Ų94.327%0.27251%0.51SS..SBendtrans-47.6-37.3-175.2-178.5-101.1000115R314 K319 V339 A348R314-F350 HydrophobicContact CG-CE1 4.37Å; R314-F350 HydrophobicContact CG-CE2 4.45Å; R314-F350 HydrophobicContact CG-CZ 3.99Å; R314-F350 PolarHBondContact NE-O 3.48Å; R314-F350 WeakPolarHBondContact O-CE1 3.36Å; K319-F350 HydrophobicContact CD-CD1 4.39Å; K319-F350 HydrophobicContact CG-CD1 3.89Å; K319-F350 HydrophobicContact CG-CE1 4.07Å; V339-F350 HydrophobicContact CG1-CZ 4.28Å; V339-F350 WeakPolarHBondContact O-CE2 3.28Å; A348-F350 PolarHBondContact O-N 3.07Å
351C71.9Confident63.5Low5 Ų594.2 Ų94.23%0.03451%0.505CS..SBendtrans-136.6143.9163.1-66.10000106.8C315 P349 Q355C315-C351 WeakPolarHBondContact CA-SG 3.16Å; C315-C351 HydrophobicContact CB-CB 4.24Å; C315-C351 WeakPolarHBondContact CB-SG 3.19Å; C315-C351 WeakPolarHBondContact SG-CB 3.38Å; C315-C351 CovalentContact SG-SG 2.04Å; C315-C351 PolarHBondContact SG-SG 3.03Å; P349-C351 PolarHBondContact O-N 3.44Å; C351-Q355 HydrophobicContact CB-CB 4.35Å
352S77.8Confident64.3Low46 Ų4699.2 Ų99.232%0.32252%0.515SS..  trans-58.3156.9164.780.20000109.7L354 Q355 G356S352-L354 PolarHBondContact O-N 3.45Å; S352-Q355 PolarHBondContact O-N 3.5Å; S352-Q355 WeakPolarHBondContact OG-CB 3.47Å; S352-Q355 VanDerWaalsContact OG-CG 3.27Å; S352-Q355 WeakPolarHBondContact OG-CG 3.38Å; S352-Q355 PolarHBondContact OG-N 3.13Å; S352-Q355 VanDerWaalsContact OG-N 3.11Å; S352-Q355 PolarHBondContact OG-OE1 2.76Å; S352-G356 PolarHBondContact O-N 3.49Å
353W75.2Confident66.1Low218 Ų21891.7 Ų91.783%0.82648%0.478SS*.Hα-helixtrans-55.2-43179.4175.782.4000111.7G356 F357W353-G356 PolarHBondContact O-N 2.67Å; W353-F357 WeakPolarHBondContact O-CB 3.49Å; W353-F357 PolarHBondContact O-N 2.95Å
354L77.2Confident67.8Low98 Ų9888.6 Ų88.651%0.51346%0.456SS..Hα-helixtrans-67.4-45.6178.2-17465.4000112.5S352 G356 F357 L358S352-L354 PolarHBondContact O-N 3.45Å; L354-G356 VanDerWaalsContact C-N 3.33Å; L354-G356 PolarHBondContact O-N 3.42Å; L354-F357 PolarHBondContact O-N 3.41Å; L354-L358 HydrophobicContact CD1-CD1 4.13Å; L354-L358 HydrophobicContact CD1-CG 4.26Å; L354-L358 HydrophobicContact CG-CD1 4.02Å; L354-L358 HydrophobicContact CG-CG 4.48Å; L354-L358 WeakPolarHBondContact O-CB 3.28Å; L354-L358 WeakPolarHBondContact O-CG 3.32Å; L354-L358 PolarHBondContact O-N 3Å
355Q76.7Confident69.4Low118 Ų11888.3 Ų88.355%0.55143%0.431SS*.Hα-helixtrans-62.4-42.2176.3-75.1170.2-19.600111.4C351 S352 G359C351-Q355 HydrophobicContact CB-CB 4.35Å; S352-Q355 PolarHBondContact O-N 3.5Å; S352-Q355 WeakPolarHBondContact OG-CB 3.47Å; S352-Q355 VanDerWaalsContact OG-CG 3.27Å; S352-Q355 WeakPolarHBondContact OG-CG 3.38Å; S352-Q355 PolarHBondContact OG-N 3.13Å; S352-Q355 VanDerWaalsContact OG-N 3.11Å; S352-Q355 PolarHBondContact OG-OE1 2.76Å; Q355-G359 PolarHBondContact O-N 2.75Å
356G71.6Confident71.1Confident8 Ų882.8 Ų82.88%0.08241%0.405CS..Hα-helixtrans-62.6-45.2176.900000111.6S352 W353 L354 T360S352-G356 PolarHBondContact O-N 3.49Å; W353-G356 PolarHBondContact O-N 2.67Å; L354-G356 VanDerWaalsContact C-N 3.33Å; L354-G356 PolarHBondContact O-N 3.42Å; G356-T360 WeakPolarHBondContact O-CB 3.42Å; G356-T360 PolarHBondContact O-N 3.12Å; G356-T360 PolarHBondContact O-OG1 2.96Å
357F74.1Confident72.3Confident108 Ų10871.5 Ų71.547%0.47436%0.363SS..Hα-helixtrans-62-54.9176.8-179.3-100.7000111.6W353 L354 G359 T360 L361W353-F357 WeakPolarHBondContact O-CB 3.49Å; W353-F357 PolarHBondContact O-N 2.95Å; L354-F357 PolarHBondContact O-N 3.41Å; F357-G359 PolarHBondContact O-N 3.13Å; F357-T360 PolarHBondContact O-N 2.92Å; F357-L361 HydrophobicContact CE1-CD1 3.74Å; F357-L361 HydrophobicContact CE2-CD1 4.17Å; F357-L361 HydrophobicContact CZ-CD1 3.52Å; F357-L361 WeakPolarHBondContact O-CB 3.34Å; F357-L361 PolarHBondContact O-N 2.96Å
358L79.1Confident73.6Confident97 Ų9770.1 Ų70.151%0.50834%0.342SS..Hα-helixtrans-63.9-42.9-178.3-68.8175.9000112.6L354 L361 R362L354-L358 HydrophobicContact CD1-CD1 4.13Å; L354-L358 HydrophobicContact CD1-CG 4.26Å; L354-L358 HydrophobicContact CG-CD1 4.02Å; L354-L358 HydrophobicContact CG-CG 4.48Å; L354-L358 WeakPolarHBondContact O-CB 3.28Å; L354-L358 WeakPolarHBondContact O-CG 3.32Å; L354-L358 PolarHBondContact O-N 3Å; L358-L361 PolarHBondContact O-N 2.7Å; L358-R362 WeakPolarHBondContact O-CB 3.31Å; L358-R362 PolarHBondContact O-N 3.29Å
359G73.3Confident74.5Confident8 Ų874.4 Ų74.48%0.08235%0.348CS..Hα-helixtrans-64.6-44.617800000112.3Q355 F357 L361 R362 C363Q355-G359 PolarHBondContact O-N 2.75Å; F357-G359 PolarHBondContact O-N 3.13Å; G359-L361 PolarHBondContact O-N 3.46Å; G359-R362 PolarHBondContact O-N 3.1Å; G359-C363 PolarHBondContact O-N 3.35Å
360T72.2Confident75Confident30 Ų3071.8 Ų71.818%0.18433%0.332CS..Hα-helixtrans-63.4-42.8175.5-56.70000111.1F320 G356 F357 C363 R364F320-T360 HydrophobicContact CB-CG2 4.33Å; F320-T360 HydrophobicContact CD2-CG2 3.91Å; F320-T360 HydrophobicContact CG-CG2 4.29Å; G356-T360 WeakPolarHBondContact O-CB 3.42Å; G356-T360 PolarHBondContact O-N 3.12Å; G356-T360 PolarHBondContact O-OG1 2.96Å; F357-T360 PolarHBondContact O-N 2.92Å; T360-C363 PolarHBondContact O-N 2.98Å; T360-R364 HydrophobicContact CG2-CG 4.39Å; T360-R364 WeakPolarHBondContact O-CB 3.35Å; T360-R364 VanDerWaalsContact O-CG 3.31Å; T360-R364 WeakPolarHBondContact O-CG 3.16Å; T360-R364 PolarHBondContact O-N 3.46Å
361L78.3Confident74.5Confident53 Ų5373.4 Ų73.428%0.27735%0.351SS..Hα-helixtrans-66.2-41.8-179.4-166.8139000111.2F357 L358 G359 C363 R364 F365F357-L361 HydrophobicContact CE1-CD1 3.74Å; F357-L361 HydrophobicContact CE2-CD1 4.17Å; F357-L361 HydrophobicContact CZ-CD1 3.52Å; F357-L361 WeakPolarHBondContact O-CB 3.34Å; F357-L361 PolarHBondContact O-N 2.96Å; L358-L361 PolarHBondContact O-N 2.7Å; G359-L361 PolarHBondContact O-N 3.46Å; L361-C363 PolarHBondContact O-N 2.74Å; L361-R364 PolarHBondContact O-N 3.31Å; L361-F365 HydrophobicContact CD2-CD2 3.7Å; L361-F365 HydrophobicContact CD2-CE2 3.4Å; L361-F365 HydrophobicContact CG-CD2 4.26Å; L361-F365 HydrophobicContact CG-CE2 4.06Å; L361-F365 WeakPolarHBondContact O-CD2 3.44Å; L361-F365 PolarHBondContact O-N 3.43Å
362R79.7Confident74.7Confident132 Ų13276.8 Ų76.850%0.49837%0.367SS..Hα-helixtrans-57.8-46.9170.6-178.4-177.6178.5-172.21.9111.7L358 G359 F365 I366L358-R362 WeakPolarHBondContact O-CB 3.31Å; L358-R362 PolarHBondContact O-N 3.29Å; G359-R362 PolarHBondContact O-N 3.1Å; R362-F365 WeakPolarHBondContact O-CB 3.49Å; R362-F365 PolarHBondContact O-N 2.96Å; R362-I366 HydrophobicContact CG-CD1 4.08Å; R362-I366 WeakPolarHBondContact O-CG1 3.43Å; R362-I366 PolarHBondContact O-N 3.19Å
363C80.4Confident74.5Confident2 Ų278.4 Ų78.41%0.01437%0.369CS..Hα-helixtrans-70.1-37.8-178.7-74.90000113.3Y310 C316 F320 G359 T360 L361 F365 I366 A367Y310-C363 HydrophobicContact CD1-CB 4.39Å; Y310-C363 HydrophobicContact CE1-CB 4.37Å; C316-C363 HydrophobicContact CB-CB 4.08Å; C316-C363 WeakPolarHBondContact CB-SG 3.41Å; C316-C363 WeakPolarHBondContact SG-CB 3.21Å; C316-C363 CovalentContact SG-SG 2Å; C316-C363 PolarHBondContact SG-SG 3.01Å; F320-C363 HydrophobicContact CD1-CB 3.73Å; F320-C363 HydrophobicContact CE1-CB 4.19Å; G359-C363 PolarHBondContact O-N 3.35Å; T360-C363 PolarHBondContact O-N 2.98Å; L361-C363 PolarHBondContact O-N 2.74Å; C363-F365 VanDerWaalsContact C-N 3.3Å; C363-F365 PolarHBondContact O-N 3.32Å; C363-I366 PolarHBondContact O-N 3.1Å; C363-A367 WeakPolarHBondContact O-CB 3.29Å; C363-A367 PolarHBondContact O-N 3.35Å
364R77.7Confident74.5Confident79 Ų7970.7 Ų70.730%0.29834%0.344SS..Hα-helixtrans-58.6-42.5169.4-78.9-176.2-179.5-165.1-1.2111.8P25 F320 T360 L361 A367 W368P25-R364 HydrophobicContact CB-CB 4.01Å; P25-R364 WeakPolarHBondContact CB-O 3.43Å; P25-R364 WeakPolarHBondContact O-CB 3.14Å; P25-R364 WeakPolarHBondContact O-CG 3.2Å; F320-R364 HydrophobicContact CD2-CG 4.23Å; F320-R364 HydrophobicContact CE1-CG 4.26Å; F320-R364 HydrophobicContact CE2-CG 3.52Å; F320-R364 HydrophobicContact CZ-CG 3.54Å; T360-R364 HydrophobicContact CG2-CG 4.39Å; T360-R364 WeakPolarHBondContact O-CB 3.35Å; T360-R364 VanDerWaalsContact O-CG 3.31Å; T360-R364 WeakPolarHBondContact O-CG 3.16Å; T360-R364 PolarHBondContact O-N 3.46Å; L361-R364 PolarHBondContact O-N 3.31Å; R364-A367 PolarHBondContact O-N 3.3Å; R364-W368 WeakPolarHBondContact O-CB 3.46Å; R364-W368 PolarHBondContact O-N 2.56Å
365F79.3Confident74.3Confident81 Ų8169.1 Ų69.136%0.35533%0.334SS..Hα-helixtrans-63.5-46174.8-87.1-62000112.8P25 L361 R362 C363 A367 W368 F369P25-F365 HydrophobicContact CB-CD1 4.43Å; P25-F365 HydrophobicContact CG-CD1 4.29Å; P25-F365 HydrophobicContact CG-CE1 4.19Å; L361-F365 HydrophobicContact CD2-CD2 3.7Å; L361-F365 HydrophobicContact CD2-CE2 3.4Å; L361-F365 HydrophobicContact CG-CD2 4.26Å; L361-F365 HydrophobicContact CG-CE2 4.06Å; L361-F365 WeakPolarHBondContact O-CD2 3.44Å; L361-F365 PolarHBondContact O-N 3.43Å; R362-F365 WeakPolarHBondContact O-CB 3.49Å; R362-F365 PolarHBondContact O-N 2.96Å; C363-F365 VanDerWaalsContact C-N 3.3Å; C363-F365 PolarHBondContact O-N 3.32Å; F365-A367 VanDerWaalsContact C-N 3.3Å; F365-A367 PolarHBondContact O-N 2.98Å; F365-W368 PolarHBondContact O-N 3.05Å; F365-F369 HydrophobicContact CD1-CE2 4.42Å; F365-F369 VanDerWaalsContact O-CD2 3.27Å; F365-F369 WeakPolarHBondContact O-CD2 3.25Å; F365-F369 PolarHBondContact O-N 3.13Å
366I79.6Confident74.2Confident45 Ų4566 Ų6623%0.23132%0.321CS..Hα-helixtrans-60-43.2176.2-67.1166.6000110.7T308 Y310 R362 C363 W368 F369 S370T308-I366 HydrophobicContact CG2-CG2 3.88Å; Y310-I366 HydrophobicContact CD1-CB 4.11Å; Y310-I366 HydrophobicContact CD1-CD1 4.4Å; Y310-I366 HydrophobicContact CD1-CG2 3.71Å; Y310-I366 HydrophobicContact CE1-CB 3.81Å; Y310-I366 HydrophobicContact CE1-CG2 3.52Å; Y310-I366 HydrophobicContact CG-CG2 4.48Å; R362-I366 HydrophobicContact CG-CD1 4.08Å; R362-I366 WeakPolarHBondContact O-CG1 3.43Å; R362-I366 PolarHBondContact O-N 3.19Å; C363-I366 PolarHBondContact O-N 3.1Å; I366-W368 VanDerWaalsContact C-N 3.32Å; I366-W368 PolarHBondContact O-N 3.43Å; I366-F369 PolarHBondContact O-N 2.84Å; I366-S370 WeakPolarHBondContact O-CB 3.44Å; I366-S370 PolarHBondContact O-N 2.91Å; I366-S370 PolarHBondContact O-OG 3.44Å
367A74Confident74.3Confident0 Ų069.9 Ų69.90%034%0.336CS..Hα-helixtrans-61.2-42.2178.100000112R222 V302 Y310 C363 R364 F365 S370 S371R222-A367 PolarHBondContact NH2-O 3.27Å; V302-A367 HydrophobicContact CG2-CB 3.36Å; Y310-A367 HydrophobicContact CE1-CB 4.4Å; Y310-A367 WeakPolarHBondContact OH-CA 3.35Å; Y310-A367 WeakPolarHBondContact OH-CB 3.29Å; C363-A367 WeakPolarHBondContact O-CB 3.29Å; C363-A367 PolarHBondContact O-N 3.35Å; R364-A367 PolarHBondContact O-N 3.3Å; F365-A367 VanDerWaalsContact C-N 3.3Å; F365-A367 PolarHBondContact O-N 2.98Å; A367-S370 PolarHBondContact O-N 3.27Å; A367-S370 PolarHBondContact O-OG 2.78Å; A367-S371 PolarHBondContact O-N 3.36Å; A367-S371 VanDerWaalsContact O-N 3.13Å; A367-S371 PolarHBondContact O-OG 2.86Å
368W70.5Confident74.3Confident107 Ų10767.1 Ų67.141%0.40533%0.327SS..Hα-helixtrans-69-42.6179.2-17776.7000113.3F23 P25 R364 F365 I366 S370 S371F23-W368 PolarHBondContact O-NE1 2.97Å; P25-W368 HydrophobicContact CB-CB 3.67Å; P25-W368 HydrophobicContact CB-CG 4.04Å; R364-W368 WeakPolarHBondContact O-CB 3.46Å; R364-W368 PolarHBondContact O-N 2.56Å; F365-W368 PolarHBondContact O-N 3.05Å; I366-W368 VanDerWaalsContact C-N 3.32Å; I366-W368 PolarHBondContact O-N 3.43Å; W368-S370 PolarHBondContact O-N 3.03Å; W368-S370 VanDerWaalsContact O-N 3.16Å; W368-S371 PolarHBondContact O-N 3.26Å
369F70.9Confident74Confident161 Ų16164.8 Ų64.871%0.70631%0.313SS*.Hα-helixtrans-65.5-15.1175.4-85.2-68000113.8F365 I366F365-F369 HydrophobicContact CD1-CE2 4.42Å; F365-F369 VanDerWaalsContact O-CD2 3.27Å; F365-F369 WeakPolarHBondContact O-CD2 3.25Å; F365-F369 PolarHBondContact O-N 3.13Å; I366-F369 PolarHBondContact O-N 2.84Å
370S68.3Low74Confident49 Ų4969.6 Ų69.634%0.34333%0.332SS..THydrogen-bonded Turntrans-110.92.2-179.359.80000114T308 I366 A367 W368T308-S370 WeakPolarHBondContact CG2-OG 3.4Å; T308-S370 WeakPolarHBondContact OG1-CB 3.49Å; T308-S370 PolarHBondContact OG1-OG 3.44Å; I366-S370 WeakPolarHBondContact O-CB 3.44Å; I366-S370 PolarHBondContact O-N 2.91Å; I366-S370 PolarHBondContact O-OG 3.44Å; A367-S370 PolarHBondContact O-N 3.27Å; A367-S370 PolarHBondContact O-OG 2.78Å; W368-S370 PolarHBondContact O-N 3.03Å; W368-S370 VanDerWaalsContact O-N 3.16Å
371S57.7Low74.2Confident96 Ų9673.2 Ų73.267%0.67135%0.345SS*.  trans-70.80171.4-84.90000111.9E30 R222 A367 W368E30-S371 WeakPolarHBondContact OE1-CB 3.35Å; E30-S371 PolarHBondContact OE1-OG 3Å; R222-S371 VanDerWaalsContact CZ-OG 3.25Å; R222-S371 PolarHBondContact NH1-OG 2.87Å; R222-S371 VanDerWaalsContact NH2-N 3.2Å; R222-S371 PolarHBondContact NH2-OG 3.15Å; A367-S371 PolarHBondContact O-N 3.36Å; A367-S371 VanDerWaalsContact O-N 3.13Å; A367-S371 PolarHBondContact O-OG 2.86Å; W368-S371 PolarHBondContact O-N 3.26Å

Retrieved 371 of 371 residues in 232.7 ms (Link to these results)

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