A0A5K4F259_SCHMA Loading...

Amidohydro-rel domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F259, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 324 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
1M59.2Low68.8Low101 Ų10174.5 Ų74.550%0.49836%0.361SS..  0-54.90-72.4-58.6-81.800111.9Y3 M4 R5 M39M1-Y3 PolarHBondContact O-N 3.23Å; M1-M4 PolarHBondContact O-N 3.36Å; M1-M4 VanDerWaalsContact O-N 3.11Å; M1-R5 PolarHBondContact O-N 3.26Å; M1-M39 HydrophobicContact SD-CB 3.87Å; M1-M39 HydrophobicContact SD-CG 3.62Å; M1-M39 HydrophobicContact SD-SD 3.96Å
2D71.8Confident68.8Low134 Ų13471.1 Ų71.172%0.71735%0.346SS*.Hα-helixtrans-57.2-41.6-172.9-58.2-15.1000115M4 R5 A6D2-M4 PolarHBondContact O-N 2.99Å; D2-R5 PolarHBondContact O-N 3.27Å; D2-A6 VanDerWaalsContact O-CB 3.32Å; D2-A6 WeakPolarHBondContact O-CB 3.27Å; D2-A6 PolarHBondContact O-N 3.39Å
3Y70.3Confident68.6Low168 Ų16877.1 Ų77.166%0.65937%0.369SS*.Hα-helixtrans-59.9-47.1175.7173.1-98.9000112.6M1 R5 A6 R7M1-Y3 PolarHBondContact O-N 3.23Å; Y3-R5 VanDerWaalsContact C-N 3.35Å; Y3-A6 PolarHBondContact O-N 3.2Å; Y3-R7 WeakPolarHBondContact O-CB 3.47Å; Y3-R7 PolarHBondContact O-N 3.01Å
4M67.8Low68.3Low33 Ų3382.4 Ų82.416%0.16339%0.385CS..Hα-helixtrans-67.9-36.9-179.9-67.9-64.6-125.600111.3M1 D2 R7 A8 E36 I40 L43M1-M4 PolarHBondContact O-N 3.36Å; M1-M4 VanDerWaalsContact O-N 3.11Å; D2-M4 PolarHBondContact O-N 2.99Å; M4-R7 PolarHBondContact O-N 2.99Å; M4-A8 WeakPolarHBondContact O-CB 3.24Å; M4-A8 PolarHBondContact O-N 3.08Å; M4-E36 HydrophobicContact CE-CG 4.38Å; M4-I40 HydrophobicContact CE-CD1 4.21Å; M4-L43 HydrophobicContact CB-CD1 3.71Å
5R71.5Confident68.3Low62 Ų6279.8 Ų79.823%0.23437%0.373CS..Hα-helixtrans-64.4-50.2174.2-172.3178.4-78-97.8-3.5111.1M1 D2 Y3 R7 A8 E9 L43 D46M1-R5 PolarHBondContact O-N 3.26Å; D2-R5 PolarHBondContact O-N 3.27Å; Y3-R5 VanDerWaalsContact C-N 3.35Å; R5-R7 VanDerWaalsContact C-N 3.28Å; R5-R7 PolarHBondContact O-N 2.66Å; R5-A8 PolarHBondContact O-N 3.06Å; R5-E9 WeakPolarHBondContact O-CG 3.35Å; R5-E9 PolarHBondContact O-N 2.94Å; R5-L43 HydrophobicContact CB-CD2 3.99Å; R5-L43 HydrophobicContact CG-CD2 4.26Å; R5-D46 IonicContact CZ-OD2 2.82Å; R5-D46 VanDerWaalsContact CZ-OD2 3.22Å; R5-D46 IonicContact NH1-OD2 3.41Å; R5-D46 PolarHBondContact NH1-OD2 3.28Å; R5-D46 IonicContact NH2-OD2 3Å; R5-D46 PolarHBondContact NH2-OD2 2.94Å
6A73.3Confident68.3Low41 Ų4176.1 Ų76.134%0.33936%0.356SS..Hα-helixtrans-61.8-36.8177.300000112.3D2 Y3 N10D2-A6 VanDerWaalsContact O-CB 3.32Å; D2-A6 WeakPolarHBondContact O-CB 3.27Å; D2-A6 PolarHBondContact O-N 3.39Å; Y3-A6 PolarHBondContact O-N 3.2Å; A6-N10 WeakPolarHBondContact O-CB 3.4Å; A6-N10 PolarHBondContact O-N 3.21Å; A6-N10 PolarHBondContact O-ND2 2.94Å
7R67.8Low68.2Low45 Ų4572 Ų7217%0.1734%0.339CS..Hα-helixtrans-64.9-49.5173.7169169.2169.7-177.3-10111.1Y3 M4 R5 E9 N10 E11 W226Y3-R7 WeakPolarHBondContact O-CB 3.47Å; Y3-R7 PolarHBondContact O-N 3.01Å; M4-R7 PolarHBondContact O-N 2.99Å; R5-R7 VanDerWaalsContact C-N 3.28Å; R5-R7 PolarHBondContact O-N 2.66Å; R7-E9 VanDerWaalsContact C-N 3.33Å; R7-E9 PolarHBondContact O-N 3.39Å; R7-N10 PolarHBondContact O-N 3.41Å; R7-N10 VanDerWaalsContact O-N 3.16Å; R7-E11 WeakPolarHBondContact CD-OE1 3.3Å; R7-E11 WeakPolarHBondContact CG-OE1 3.49Å; R7-E11 IonicContact CZ-OE1 3.72Å; R7-E11 IonicContact NE-OE1 3.93Å; R7-E11 PolarHBondContact NE-OE1 3.13Å; R7-E11 IonicContact NH2-OE1 2.79Å; R7-E11 WeakPolarHBondContact O-CG 3.37Å; R7-E11 PolarHBondContact O-N 3.16Å; R7-W226 HydrophobicContact CG-CH2 4.48Å
8A68.5Low67.7Low9 Ų975.1 Ų75.17%0.07435%0.353CS..Hα-helixtrans-57.5-43.917500000111.7M4 R5 N10 E11 I12 Y47M4-A8 WeakPolarHBondContact O-CB 3.24Å; M4-A8 PolarHBondContact O-N 3.08Å; R5-A8 PolarHBondContact O-N 3.06Å; A8-N10 VanDerWaalsContact C-N 3.33Å; A8-N10 PolarHBondContact O-N 2.85Å; A8-E11 WeakPolarHBondContact O-CB 3.24Å; A8-E11 PolarHBondContact O-N 2.83Å; A8-I12 HydrophobicContact CB-CD1 4.3Å; A8-I12 VanDerWaalsContact O-CB 3.28Å; A8-I12 WeakPolarHBondContact O-CB 3.38Å; A8-I12 WeakPolarHBondContact O-CD1 3.42Å; A8-I12 WeakPolarHBondContact O-CG1 3.47Å; A8-I12 PolarHBondContact O-N 3.47Å; A8-Y47 HydrophobicContact CB-CD2 4.24Å; A8-Y47 HydrophobicContact CB-CE2 3.97Å
9E72.1Confident67.1Low99 Ų9980.4 Ų80.446%0.46338%0.383SS..Hα-helixtrans-59.3-43.2175.9-72.6173.2-179.500112.2R5 R7 K13 Y47R5-E9 WeakPolarHBondContact O-CG 3.35Å; R5-E9 PolarHBondContact O-N 2.94Å; R7-E9 VanDerWaalsContact C-N 3.33Å; R7-E9 PolarHBondContact O-N 3.39Å; E9-K13 WeakPolarHBondContact O-CB 3.5Å; E9-K13 PolarHBondContact O-N 3.06Å; E9-Y47 HydrophobicContact CG-CE1 4.41Å; E9-Y47 WeakPolarHBondContact CG-OH 3.46Å; E9-Y47 PolarHBondContact OE1-OH 3.47Å
10N67.4Low67.1Low97 Ų9777.3 Ų77.352%0.51937%0.372SS..Hα-helixtrans-69.1-38.6178-76.5-52000112.4A6 R7 A8 Y14A6-N10 WeakPolarHBondContact O-CB 3.4Å; A6-N10 PolarHBondContact O-N 3.21Å; A6-N10 PolarHBondContact O-ND2 2.94Å; R7-N10 PolarHBondContact O-N 3.41Å; R7-N10 VanDerWaalsContact O-N 3.16Å; A8-N10 VanDerWaalsContact C-N 3.33Å; A8-N10 PolarHBondContact O-N 2.85Å; N10-Y14 WeakPolarHBondContact O-CD2 3.39Å
11E67.6Low67.1Low30 Ų3076 Ų7614%0.1437%0.369CS..Hα-helixtrans-61.6-51.6174.7-78.2174.9-137.300111.8R7 A8 E15 I16 W226R7-E11 WeakPolarHBondContact CD-OE1 3.3Å; R7-E11 WeakPolarHBondContact CG-OE1 3.49Å; R7-E11 IonicContact CZ-OE1 3.72Å; R7-E11 IonicContact NE-OE1 3.93Å; R7-E11 PolarHBondContact NE-OE1 3.13Å; R7-E11 IonicContact NH2-OE1 2.79Å; R7-E11 WeakPolarHBondContact O-CG 3.37Å; R7-E11 PolarHBondContact O-N 3.16Å; A8-E11 WeakPolarHBondContact O-CB 3.24Å; A8-E11 PolarHBondContact O-N 2.83Å; E11-E15 WeakPolarHBondContact O-CA 3.38Å; E11-E15 WeakPolarHBondContact O-CB 3.27Å; E11-E15 PolarHBondContact O-N 3.38Å; E11-I16 PolarHBondContact O-N 3.41Å; E11-W226 HydrophobicContact CB-CH2 4.36Å; E11-W226 HydrophobicContact CB-CZ2 4.48Å; E11-W226 VanDerWaalsContact CD-CE3 3.42Å; E11-W226 HydrophobicContact CG-CD2 4.14Å; E11-W226 HydrophobicContact CG-CE3 3.66Å; E11-W226 HydrophobicContact CG-CH2 2.93Å; E11-W226 HydrophobicContact CG-CZ2 3.33Å; E11-W226 HydrophobicContact CG-CZ3 3.16Å; E11-W226 WeakPolarHBondContact OE1-CH2 3.43Å; E11-W226 WeakPolarHBondContact OE1-CZ3 3.41Å
12I67.9Low68.1Low34 Ų3472.5 Ų72.517%0.17435%0.354CS..Hα-helixtrans-71.7-36.3-172.9-64.9168000110.5A8 Y14 I16 Y47 C49A8-I12 HydrophobicContact CB-CD1 4.3Å; A8-I12 VanDerWaalsContact O-CB 3.28Å; A8-I12 WeakPolarHBondContact O-CB 3.38Å; A8-I12 WeakPolarHBondContact O-CD1 3.42Å; A8-I12 WeakPolarHBondContact O-CG1 3.47Å; A8-I12 PolarHBondContact O-N 3.47Å; I12-Y14 VanDerWaalsContact C-N 3.29Å; I12-Y14 PolarHBondContact O-N 3Å; I12-I16 CarbonylContact C-O 3.42Å; I12-I16 VanDerWaalsContact CA-O 3.29Å; I12-I16 WeakPolarHBondContact CA-O 3.48Å; I12-I16 WeakPolarHBondContact CG2-O 3.42Å; I12-I16 CarbonylContact O-C 3.55Å; I12-Y47 HydrophobicContact CD1-CD1 3.2Å; I12-Y47 HydrophobicContact CD1-CD2 4.11Å; I12-Y47 HydrophobicContact CD1-CE1 3.87Å; I12-Y47 HydrophobicContact CD1-CG 3.36Å; I12-C49 VanDerWaalsContact CD1-SG 3.55Å; I12-C49 VanDerWaalsContact CG1-SG 3.55Å
13K66.4Low68.6Low149 Ų14974.4 Ų74.465%0.64835%0.351SS*.Hα-helixtrans-65.1-32.8-177.8-173.4174.9177.7-171.80113.4E9E9-K13 WeakPolarHBondContact O-CB 3.5Å; E9-K13 PolarHBondContact O-N 3.06Å
14Y64.7Low69.5Low152 Ų15269.8 Ų69.860%0.59633%0.333SS*.Hα-helixtrans-118.6-28-169.7-60-66.2000114.5N10 I12N10-Y14 WeakPolarHBondContact O-CD2 3.39Å; I12-Y14 VanDerWaalsContact C-N 3.29Å; I12-Y14 PolarHBondContact O-N 3Å
15E68.9Low70.6Confident43 Ų4369.5 Ų69.520%0.20134%0.336CS..THydrogen-bonded Turntrans-117.7-28.6-169.6-57.7-70.7165.600112.6E11 A20 L273E11-E15 WeakPolarHBondContact O-CA 3.38Å; E11-E15 WeakPolarHBondContact O-CB 3.27Å; E11-E15 PolarHBondContact O-N 3.38Å; E15-A20 WeakPolarHBondContact O-CB 3.34Å; E15-L273 HydrophobicContact CB-CB 4.44Å; E15-L273 HydrophobicContact CB-CD2 4.18Å; E15-L273 WeakPolarHBondContact O-CD2 3.45Å; E15-L273 WeakPolarHBondContact OE2-CB 3.28Å; E15-L273 PolarHBondContact OE2-N 2.86Å
16I68.1Low71.6Confident20 Ų2068.3 Ų68.310%0.10333%0.334CS..BIsolated β-bridgetrans-133.1121.9-174.5-57.9163.1000111.5E11 I12 V22 A25 C49 L273E11-I16 PolarHBondContact O-N 3.41Å; I12-I16 CarbonylContact C-O 3.42Å; I12-I16 VanDerWaalsContact CA-O 3.29Å; I12-I16 WeakPolarHBondContact CA-O 3.48Å; I12-I16 WeakPolarHBondContact CG2-O 3.42Å; I12-I16 CarbonylContact O-C 3.55Å; I16-V22 CarbonylContact C-O 3.46Å; I16-V22 WeakPolarHBondContact CA-O 3.33Å; I16-V22 HydrophobicContact CG1-CG1 4.37Å; I16-V22 HydrophobicContact CG2-CG1 4.35Å; I16-A25 HydrophobicContact CD1-CB 3.73Å; I16-A25 HydrophobicContact CG2-CB 4.29Å; I16-C49 HydrophobicContact CG2-CB 3.91Å; I16-L273 HydrophobicContact CG1-CD2 4.12Å
17G65.6Low72.6Confident7 Ų767.9 Ų67.97%0.07233%0.325CS..SBendtrans148-163.3-179.700000113.2L19 A20 V22G17-L19 PolarHBondContact O-N 2.8Å; G17-A20 WeakPolarHBondContact O-CB 3.3Å; G17-A20 PolarHBondContact O-N 3.09Å; G17-A20 VanDerWaalsContact O-N 3.09Å; G17-V22 PolarHBondContact N-O 2.69Å
18E59.4Low73.8Confident127 Ų12767.8 Ų67.859%0.59333%0.329SS*.THydrogen-bonded Turntrans-63.5-36.2-168.9-168.1176.7-17000114.2Y314E18-Y314 HydrophobicContact CB-CE2 4.21Å; E18-Y314 VanDerWaalsContact OE2-CE2 3.24Å; E18-Y314 WeakPolarHBondContact OE2-CE2 3.18Å; E18-Y314 PolarHBondContact OE2-OH 2.84Å
19L57Low74.9Confident176 Ų17667.8 Ų67.892%0.92133%0.328SS*.THydrogen-bonded Turntrans-92-2.5178.4-59.4179.9000112.9G17G17-L19 PolarHBondContact O-N 2.8Å
20A67Low75.6Confident18 Ų1867.4 Ų67.415%0.14933%0.332CS..SBendtrans-96.1156.9-179.900000111.2E15 G17 V22E15-A20 WeakPolarHBondContact O-CB 3.34Å; G17-A20 WeakPolarHBondContact O-CB 3.3Å; G17-A20 PolarHBondContact O-N 3.09Å; G17-A20 VanDerWaalsContact O-N 3.09Å; A20-V22 PolarHBondContact O-N 3.45Å
21P67.2Low76.6Confident50 Ų5065 Ų6533%0.32533%0.325SS..SBendtrans-65.2-27.3174.926.6-34000111.3W274P21-W274 HydrophobicContact CB-CD2 3.9Å; P21-W274 HydrophobicContact CB-CE3 4Å; P21-W274 HydrophobicContact CB-CH2 3.59Å; P21-W274 HydrophobicContact CB-CZ2 3.46Å; P21-W274 VanDerWaalsContact CB-CZ2 3.46Å; P21-W274 HydrophobicContact CB-CZ3 3.85Å; P21-W274 VanDerWaalsContact CD-CZ2 3.47Å; P21-W274 HydrophobicContact CG-CD2 3.51Å; P21-W274 HydrophobicContact CG-CE3 4.1Å; P21-W274 HydrophobicContact CG-CG 3.83Å; P21-W274 HydrophobicContact CG-CH2 4.19Å; P21-W274 HydrophobicContact CG-CZ2 3.6Å; P21-W274 HydrophobicContact CG-CZ3 4.4Å; P21-W274 VanDerWaalsContact CG-NE1 3.34Å
22V79.5Confident77.7Confident29 Ų2967.9 Ų67.918%0.17635%0.349CS..BIsolated β-bridgetrans-105.3115.1-180178.40000107.7I16 G17 A20 Y24 F222 L273I16-V22 CarbonylContact C-O 3.46Å; I16-V22 WeakPolarHBondContact CA-O 3.33Å; I16-V22 HydrophobicContact CG1-CG1 4.37Å; I16-V22 HydrophobicContact CG2-CG1 4.35Å; G17-V22 PolarHBondContact N-O 2.69Å; A20-V22 PolarHBondContact O-N 3.45Å; V22-Y24 WeakPolarHBondContact CG1-O 3.33Å; V22-F222 HydrophobicContact CG2-CE1 4.39Å; V22-L273 HydrophobicContact CB-CD2 3.58Å; V22-L273 HydrophobicContact CG1-CD2 4.32Å; V22-L273 HydrophobicContact CG2-CD1 4.11Å; V22-L273 HydrophobicContact CG2-CD2 3.39Å; V22-L273 HydrophobicContact CG2-CG 3.8Å
23R83.3Confident78.9Confident174 Ų17468.7 Ų68.766%0.65736%0.355SS*.SBendtrans-87.1-31.6179.7-64.8179.9-178.5166.80.6112.7C49R23-C49 WeakPolarHBondContact O-CB 3.43Å
24Y89.1Confident80.1Confident70 Ų7064 Ų6428%0.27533%0.334SS..  trans-136.5146.9-176.1-58.7-80.8000110.4V22 Y48 C49 A51 I311 R312V22-Y24 WeakPolarHBondContact CG1-O 3.33Å; Y24-Y48 HydrophobicContact CE1-CD2 4.26Å; Y24-C49 CarbonylContact C-O 3.42Å; Y24-C49 WeakPolarHBondContact CA-O 3.38Å; Y24-A51 HydrophobicContact CD1-CB 4.49Å; Y24-I311 HydrophobicContact CD1-CD1 4.4Å; Y24-I311 HydrophobicContact CD1-CG2 4.26Å; Y24-I311 HydrophobicContact CD2-CD1 4.24Å; Y24-I311 HydrophobicContact CD2-CG2 4.07Å; Y24-I311 HydrophobicContact CE1-CG2 3.69Å; Y24-I311 HydrophobicContact CE2-CG2 3.47Å; Y24-I311 VanDerWaalsContact CE2-CG2 3.47Å; Y24-I311 HydrophobicContact CG-CD1 4.1Å; Y24-I311 HydrophobicContact CG-CG2 4.43Å; Y24-I311 WeakPolarHBondContact OH-CG2 3.38Å; Y24-R312 WeakPolarHBondContact CE1-O 3.36Å; Y24-R312 PolarHBondContact OH-O 3.08Å
25A90.4Very high81.3Confident27 Ų2759.6 Ų59.622%0.22333%0.325CS..EExtended strand (participates in β ladder)trans-134.4155.4177.900000110.9I16 C49 I50 A51I16-A25 HydrophobicContact CD1-CB 3.73Å; I16-A25 HydrophobicContact CG2-CB 4.29Å; A25-C49 PolarHBondContact N-O 2.84Å; A25-I50 WeakPolarHBondContact O-CA 3.44Å; A25-A51 PolarHBondContact O-N 3.49Å
26I93.3Very high82.3Confident38 Ų3857.7 Ų57.720%0.19532%0.316CS..EExtended strand (participates in β ladder)trans-105.3125167.3-60.4172.9000106.5G52 I54 V78 Y307 L309I26-G52 WeakPolarHBondContact CA-O 3.37Å; I26-I54 HydrophobicContact CG2-CD1 4.2Å; I26-I54 HydrophobicContact CG2-CG1 3.81Å; I26-V78 HydrophobicContact CG2-CG2 4Å; I26-Y307 HydrophobicContact CD1-CD1 4.44Å; I26-Y307 HydrophobicContact CD1-CD2 3.29Å; I26-Y307 HydrophobicContact CD1-CE2 3.72Å; I26-Y307 HydrophobicContact CD1-CG 3.69Å; I26-L309 HydrophobicContact CD1-CD1 4.05Å; I26-L309 HydrophobicContact CD1-CD2 3.85Å; I26-L309 HydrophobicContact CD1-CG 4.45Å; I26-L309 HydrophobicContact CG1-CD1 4.23Å; I26-L309 HydrophobicContact CG1-CD2 4.02Å
27H92.7Very high83.4Confident31 Ų3157 Ų5714%0.14431%0.313CS..EExtended strand (participates in β ladder)trans-72.8137.5170.4178.484.3000109.4E36 I40 G52 Y53 I54H27-E36 IonicContact CD2-OE1 2.66Å; H27-E36 IonicContact CE1-OE1 3.48Å; H27-E36 IonicContact NE2-OE1 2.75Å; H27-E36 PolarHBondContact NE2-OE1 3.12Å; H27-I40 HydrophobicContact CB-CG2 3.78Å; H27-I40 VanDerWaalsContact CD2-CG1 3.48Å; H27-I40 WeakPolarHBondContact CD2-CG1 3.2Å; H27-I40 VanDerWaalsContact CE1-CD1 3.44Å; H27-I40 WeakPolarHBondContact CE1-CD1 3.4Å; H27-I40 WeakPolarHBondContact NE2-CD1 3.33Å; H27-I40 WeakPolarHBondContact NE2-CG1 3.21Å; H27-G52 PolarHBondContact N-O 3.46Å; H27-G52 VanDerWaalsContact N-O 3.07Å; H27-Y53 CarbonylContact O-C 3.6Å; H27-Y53 VanDerWaalsContact O-CA 3.26Å; H27-Y53 WeakPolarHBondContact O-CA 3.18Å; H27-I54 PolarHBondContact O-N 3.44Å
28V93.8Very high84.5Confident44 Ų4463.1 Ų63.127%0.26734%0.343SS..EExtended strand (participates in β ladder)trans-115.1132.1174.3-177.50000108.5V30 I54V28-V30 WeakPolarHBondContact O-CG2 3.19Å; V28-V30 PolarHBondContact O-N 3.09Å; V28-I54 HydrophobicContact CG1-CB 4.3Å; V28-I54 HydrophobicContact CG2-CB 4.42Å; V28-I54 HydrophobicContact CG2-CG1 4.08Å
29Q92Very high85.9Confident9 Ų959.9 Ų59.94%0.04233%0.329CS..  trans-47.3139.2178.572.983.37.300112.1A31 I54 W56 R81Q29-A31 PolarHBondContact OE1-O 3Å; Q29-A31 VanDerWaalsContact OE1-O 3.14Å; Q29-I54 WeakPolarHBondContact CB-O 3.46Å; Q29-I54 PolarHBondContact N-O 3.32Å; Q29-W56 HydrophobicContact CB-CB 4.04Å; Q29-W56 HydrophobicContact CG-CB 3.94Å; Q29-R81 HydrophobicContact CG-CB 3.98Å; Q29-R81 HydrophobicContact CG-CG 4.39Å; Q29-R81 VanDerWaalsContact NE2-NH1 3.12Å
30V86.9Confident87.4Confident91 Ų9151.8 Ų51.855%0.55229%0.287SS*.  trans-117.9-24-179-168.60000111.4V28 E36V28-V30 WeakPolarHBondContact O-CG2 3.19Å; V28-V30 PolarHBondContact O-N 3.09Å; V30-E36 PolarHBondContact N-OE1 3.33Å; V30-E36 VanDerWaalsContact N-OE1 3.11Å; V30-E36 PolarHBondContact N-OE2 2.69Å
31A88Confident88.4Confident45 Ų4551.7 Ų51.737%0.37229%0.285SS..SBendtrans-117.3141.9-179.900000111Q29 T33 E36Q29-A31 PolarHBondContact OE1-O 3Å; Q29-A31 VanDerWaalsContact OE1-O 3.14Å; A31-T33 HydrophobicContact CB-CG2 3.86Å; A31-T33 PolarHBondContact O-N 3.49Å; A31-E36 PolarHBondContact N-OE2 3.46Å
32S91.5Very high89.4Confident92 Ų9251.4 Ų51.464%0.64328%0.284SS*.SBendtrans-7565178.9-56.80000112.9W56S32-W56 VanDerWaalsContact CA-CE2 3.49Å; S32-W56 VanDerWaalsContact CA-NE1 3.31Å
33T92.1Very high89.7Confident50 Ų5050.2 Ų50.231%0.30728%0.277SS..SBendtrans-154136-178.21790000113.1A31 S35 E36A31-T33 HydrophobicContact CB-CG2 3.86Å; A31-T33 PolarHBondContact O-N 3.49Å; T33-S35 WeakPolarHBondContact CG2-OG 3.36Å; T33-S35 PolarHBondContact O-N 3.45Å; T33-S35 PolarHBondContact OG1-N 2.68Å; T33-S35 VanDerWaalsContact OG1-N 3.16Å; T33-S35 PolarHBondContact OG1-OG 2.95Å; T33-E36 HydrophobicContact CG2-CB 4.17Å; T33-E36 PolarHBondContact O-N 2.97Å
34Y91.1Very high89.7Confident52 Ų5242 Ų4220%0.20425%0.246CC..Hα-helixtrans-60.4-24.1170.7-69-66.2000113.3E36 S37 W56 C57 D58 L64 H67 M71Y34-E36 PolarHBondContact O-N 3.29Å; Y34-S37 WeakPolarHBondContact O-CB 3.24Å; Y34-S37 PolarHBondContact O-N 3.06Å; Y34-W56 HydrophobicContact CD1-CE3 4.03Å; Y34-W56 HydrophobicContact CD1-CZ3 4.41Å; Y34-W56 VanDerWaalsContact CD1-O 3.28Å; Y34-W56 WeakPolarHBondContact CD1-O 3.43Å; Y34-W56 AromaticContact CD2-CE3 4Å; Y34-W56 HydrophobicContact CD2-CE3 4Å; Y34-W56 AromaticContact CD2-CZ3 3.59Å; Y34-W56 HydrophobicContact CD2-CZ3 3.59Å; Y34-W56 HydrophobicContact CE1-CE3 4.07Å; Y34-W56 HydrophobicContact CE1-CZ3 4.31Å; Y34-W56 VanDerWaalsContact CE1-O 3.25Å; Y34-W56 WeakPolarHBondContact CE1-O 3.34Å; Y34-W56 HydrophobicContact CE2-CE3 4.04Å; Y34-W56 HydrophobicContact CE2-CH2 4.48Å; Y34-W56 AromaticContact CE2-CZ3 3.46Å; Y34-W56 HydrophobicContact CE2-CZ3 3.46Å; Y34-W56 VanDerWaalsContact CE2-CZ3 3.46Å; Y34-W56 AromaticContact CG-CE3 3.98Å; Y34-W56 HydrophobicContact CG-CE3 3.98Å; Y34-W56 HydrophobicContact CG-CZ3 4.08Å; Y34-W56 AromaticContact CZ-CZ3 3.83Å; Y34-C57 HydrophobicContact CE1-CB 4.16Å; Y34-D58 PolarHBondContact OH-N 3.36Å; Y34-L64 WeakPolarHBondContact OH-CD1 3.47Å; Y34-H67 HydrophobicContact CE1-CB 4.01Å; Y34-H67 AromaticContact CE2-CE1 3.92Å; Y34-H67 AromaticContact CE2-ND1 3.62Å; Y34-H67 AromaticContact CZ-CG 3.88Å; Y34-H67 AromaticContact CZ-ND1 3.63Å; Y34-H67 PolarHBondContact OH-ND1 3.1Å; Y34-M71 HydrophobicContact CD1-CE 4.47Å; Y34-M71 HydrophobicContact CD1-SD 3.55Å; Y34-M71 VanDerWaalsContact CD1-SD 3.55Å; Y34-M71 HydrophobicContact CE1-SD 3.77Å
35S91.1Very high89.3Confident58 Ų5844 Ų4441%0.40626%0.258SS..Hα-helixtrans-66.5-24.8179.667.20000113.1T33 S37 L38 M39T33-S35 WeakPolarHBondContact CG2-OG 3.36Å; T33-S35 PolarHBondContact O-N 3.45Å; T33-S35 PolarHBondContact OG1-N 2.68Å; T33-S35 VanDerWaalsContact OG1-N 3.16Å; T33-S35 PolarHBondContact OG1-OG 2.95Å; S35-S37 VanDerWaalsContact C-N 3.35Å; S35-L38 PolarHBondContact O-N 3.45Å; S35-M39 PolarHBondContact O-N 3Å
36E90Very high88.9Confident4 Ų444.6 Ų44.62%0.01926%0.257CS..Hα-helixtrans-62.7-42.7174.8-175.2178.2174.400111.3M4 H27 V30 A31 T33 Y34 L38 M39 I40M4-E36 HydrophobicContact CE-CG 4.38Å; H27-E36 IonicContact CD2-OE1 2.66Å; H27-E36 IonicContact CE1-OE1 3.48Å; H27-E36 IonicContact NE2-OE1 2.75Å; H27-E36 PolarHBondContact NE2-OE1 3.12Å; V30-E36 PolarHBondContact N-OE1 3.33Å; V30-E36 VanDerWaalsContact N-OE1 3.11Å; V30-E36 PolarHBondContact N-OE2 2.69Å; A31-E36 PolarHBondContact N-OE2 3.46Å; T33-E36 HydrophobicContact CG2-CB 4.17Å; T33-E36 PolarHBondContact O-N 2.97Å; Y34-E36 PolarHBondContact O-N 3.29Å; E36-L38 VanDerWaalsContact C-N 3.27Å; E36-L38 PolarHBondContact O-N 2.7Å; E36-M39 HydrophobicContact CB-CE 4.44Å; E36-M39 PolarHBondContact O-N 3.34Å; E36-I40 HydrophobicContact CG-CG1 3.88Å; E36-I40 WeakPolarHBondContact O-CG1 3.2Å; E36-I40 PolarHBondContact O-N 3.43Å
37S89.9Confident88.4Confident6 Ų644.3 Ų44.34%0.04225%0.254CS..Hα-helixtrans-53.8-44.2178.9-59.60000111.9Y34 S35 I40 S41 G55 M71Y34-S37 WeakPolarHBondContact O-CB 3.24Å; Y34-S37 PolarHBondContact O-N 3.06Å; S35-S37 VanDerWaalsContact C-N 3.35Å; S37-I40 PolarHBondContact O-N 3.17Å; S37-S41 VanDerWaalsContact O-CB 3.32Å; S37-S41 WeakPolarHBondContact O-CB 3.47Å; S37-S41 PolarHBondContact O-N 3.25Å; S37-G55 WeakPolarHBondContact OG-CA 3.46Å; S37-M71 WeakPolarHBondContact OG-CE 3.1Å
38L89Confident87.9Confident134 Ų13444.7 Ų44.770%0.70225%0.254SS*.Hα-helixtrans-66-40177.9-62.9174.7000112.3S35 E36 S42S35-L38 PolarHBondContact O-N 3.45Å; E36-L38 VanDerWaalsContact C-N 3.27Å; E36-L38 PolarHBondContact O-N 2.7Å; L38-S42 PolarHBondContact O-N 2.9Å
39M89.1Confident87.5Confident59 Ų5942.7 Ų42.729%0.29124%0.242SC..Hα-helixtrans-66.7-42.8177.9-68.9-171-74.900111.7M1 S35 E36 S42 L43M1-M39 HydrophobicContact SD-CB 3.87Å; M1-M39 HydrophobicContact SD-CG 3.62Å; M1-M39 HydrophobicContact SD-SD 3.96Å; S35-M39 PolarHBondContact O-N 3Å; E36-M39 HydrophobicContact CB-CE 4.44Å; E36-M39 PolarHBondContact O-N 3.34Å; M39-S42 PolarHBondContact O-N 3.35Å; M39-L43 WeakPolarHBondContact O-CG 3.36Å; M39-L43 PolarHBondContact O-N 3.4Å; M39-L43 VanDerWaalsContact O-N 3.09Å
40I88.7Confident87.3Confident6 Ų643.3 Ų43.33%0.03125%0.245CC..Hα-helixtrans-70.8-39.7-178.7-64.4-61.8000111.3M4 H27 E36 S37 S42 L43 A44 Y53M4-I40 HydrophobicContact CE-CD1 4.21Å; H27-I40 HydrophobicContact CB-CG2 3.78Å; H27-I40 VanDerWaalsContact CD2-CG1 3.48Å; H27-I40 WeakPolarHBondContact CD2-CG1 3.2Å; H27-I40 VanDerWaalsContact CE1-CD1 3.44Å; H27-I40 WeakPolarHBondContact CE1-CD1 3.4Å; H27-I40 WeakPolarHBondContact NE2-CD1 3.33Å; H27-I40 WeakPolarHBondContact NE2-CG1 3.21Å; E36-I40 HydrophobicContact CG-CG1 3.88Å; E36-I40 WeakPolarHBondContact O-CG1 3.2Å; E36-I40 PolarHBondContact O-N 3.43Å; S37-I40 PolarHBondContact O-N 3.17Å; I40-S42 VanDerWaalsContact C-N 3.32Å; I40-S42 PolarHBondContact O-N 3.36Å; I40-L43 HydrophobicContact CD1-CD1 4.24Å; I40-L43 PolarHBondContact O-N 3.02Å; I40-L43 VanDerWaalsContact O-N 3.14Å; I40-A44 WeakPolarHBondContact O-CB 3.46Å; I40-A44 PolarHBondContact O-N 2.96Å; I40-Y53 HydrophobicContact CB-CG 4.45Å; I40-Y53 VanDerWaalsContact CG2-CB 3.45Å; I40-Y53 HydrophobicContact CG2-CD1 4.15Å; I40-Y53 HydrophobicContact CG2-CD2 4.42Å; I40-Y53 HydrophobicContact CG2-CG 3.77Å
41S88.7Confident87.5Confident16 Ų1639.1 Ų39.111%0.11222%0.22CC..Hα-helixtrans-52.3-51.5171.2176.60000111.3S37 L43 A44 E45 D74S37-S41 VanDerWaalsContact O-CB 3.32Å; S37-S41 WeakPolarHBondContact O-CB 3.47Å; S37-S41 PolarHBondContact O-N 3.25Å; S41-L43 VanDerWaalsContact C-N 3.32Å; S41-L43 PolarHBondContact O-N 3.47Å; S41-A44 PolarHBondContact O-N 2.91Å; S41-A44 VanDerWaalsContact O-N 3.12Å; S41-E45 PolarHBondContact O-N 3.32Å; S41-E45 VanDerWaalsContact O-N 3.1Å; S41-D74 WeakPolarHBondContact CB-OD2 3.42Å; S41-D74 PolarHBondContact OG-OD2 3.38Å
42S87.9Confident87.8Confident45 Ų4537 Ų3732%0.31520%0.203SC..Hα-helixtrans-60.9-36.6177.2176.70000113.4L38 M39 I40L38-S42 PolarHBondContact O-N 2.9Å; M39-S42 PolarHBondContact O-N 3.35Å; I40-S42 VanDerWaalsContact C-N 3.32Å; I40-S42 PolarHBondContact O-N 3.36Å
43L84.8Confident88Confident4 Ų432.8 Ų32.82%0.02117%0.173CC..Hα-helixtrans-70.7-39.8175.4-71.3170.3000111.6M4 R5 M39 I40 S41 E45 D46 Y47M4-L43 HydrophobicContact CB-CD1 3.71Å; R5-L43 HydrophobicContact CB-CD2 3.99Å; R5-L43 HydrophobicContact CG-CD2 4.26Å; M39-L43 WeakPolarHBondContact O-CG 3.36Å; M39-L43 PolarHBondContact O-N 3.4Å; M39-L43 VanDerWaalsContact O-N 3.09Å; I40-L43 HydrophobicContact CD1-CD1 4.24Å; I40-L43 PolarHBondContact O-N 3.02Å; I40-L43 VanDerWaalsContact O-N 3.14Å; S41-L43 VanDerWaalsContact C-N 3.32Å; S41-L43 PolarHBondContact O-N 3.47Å; L43-E45 PolarHBondContact O-N 3.06Å; L43-D46 PolarHBondContact O-N 3.3Å; L43-Y47 HydrophobicContact CB-CD2 4.33Å; L43-Y47 HydrophobicContact CD2-CE2 4.01Å; L43-Y47 WeakPolarHBondContact O-CD2 3.37Å; L43-Y47 PolarHBondContact O-N 3.42Å
44A83.4Confident88.2Confident0 Ų030.5 Ų30.50%016%0.159CC..Hα-helixtrans-64.4-27.2179.500000111.6I40 S41 D46 Y47 I50 L76 R312I40-A44 WeakPolarHBondContact O-CB 3.46Å; I40-A44 PolarHBondContact O-N 2.96Å; S41-A44 PolarHBondContact O-N 2.91Å; S41-A44 VanDerWaalsContact O-N 3.12Å; A44-D46 VanDerWaalsContact C-N 3.31Å; A44-D46 PolarHBondContact O-N 2.79Å; A44-Y47 PolarHBondContact O-N 3.16Å; A44-I50 HydrophobicContact CB-CB 3.91Å; A44-I50 HydrophobicContact CB-CD1 4.45Å; A44-I50 HydrophobicContact CB-CG2 3.58Å; A44-L76 HydrophobicContact CB-CD1 3.64Å; A44-R312 PolarHBondContact O-NH1 3.29Å; A44-R312 PolarHBondContact O-NH2 2.68Å
45E81.3Confident88.4Confident112 Ų11228 Ų2852%0.52315%0.149SC..Hα-helixtrans-62.1-35.7168.8-68.2-175.6161.200113.3S41 L43 C317S41-E45 PolarHBondContact O-N 3.32Å; S41-E45 VanDerWaalsContact O-N 3.1Å; L43-E45 PolarHBondContact O-N 3.06Å; E45-C317 WeakPolarHBondContact O-CB 3.32Å; E45-C317 PolarHBondContact O-SG 3.18Å
46D81.6Confident88.7Confident40 Ų4026.5 Ų26.521%0.21414%0.135CC..Hα-helixtrans-83.3-27.2179.8-75-18.1000112.9R5 L43 A44 C317R5-D46 IonicContact CZ-OD2 2.82Å; R5-D46 VanDerWaalsContact CZ-OD2 3.22Å; R5-D46 IonicContact NH1-OD2 3.41Å; R5-D46 PolarHBondContact NH1-OD2 3.28Å; R5-D46 IonicContact NH2-OD2 3Å; R5-D46 PolarHBondContact NH2-OD2 2.94Å; L43-D46 PolarHBondContact O-N 3.3Å; A44-D46 VanDerWaalsContact C-N 3.31Å; A44-D46 PolarHBondContact O-N 2.79Å; D46-C317 WeakPolarHBondContact O-CB 3.41Å
47Y83.1Confident89Confident32 Ų3226.3 Ų26.313%0.12513%0.134CC..  trans-117.6101-172.8-62.8-69000112.8A8 E9 I12 L43 A44 C49 I50 R312A8-Y47 HydrophobicContact CB-CD2 4.24Å; A8-Y47 HydrophobicContact CB-CE2 3.97Å; E9-Y47 HydrophobicContact CG-CE1 4.41Å; E9-Y47 WeakPolarHBondContact CG-OH 3.46Å; E9-Y47 PolarHBondContact OE1-OH 3.47Å; I12-Y47 HydrophobicContact CD1-CD1 3.2Å; I12-Y47 HydrophobicContact CD1-CD2 4.11Å; I12-Y47 HydrophobicContact CD1-CE1 3.87Å; I12-Y47 HydrophobicContact CD1-CG 3.36Å; L43-Y47 HydrophobicContact CB-CD2 4.33Å; L43-Y47 HydrophobicContact CD2-CE2 4.01Å; L43-Y47 WeakPolarHBondContact O-CD2 3.37Å; L43-Y47 PolarHBondContact O-N 3.42Å; A44-Y47 PolarHBondContact O-N 3.16Å; Y47-C49 PolarHBondContact O-N 3.08Å; Y47-C49 VanDerWaalsContact O-N 3.09Å; Y47-I50 HydrophobicContact CD2-CD1 4.5Å; Y47-I50 PolarHBondContact O-N 2.92Å; Y47-R312 PolarHBondContact O-NH2 2.88Å; Y47-R312 VanDerWaalsContact O-NH2 3.08Å
48Y81.8Confident89.2Confident40 Ų4028 Ų2816%0.15714%0.143CC..THydrogen-bonded Turntrans-59.7-27.5-17473.4-87.9000113.7Y24 I50 Y314 C317Y24-Y48 HydrophobicContact CE1-CD2 4.26Å; Y48-I50 VanDerWaalsContact C-N 3.27Å; Y48-I50 PolarHBondContact O-N 3.4Å; Y48-Y314 HydrophobicContact CE1-CD2 4Å; Y48-Y314 HydrophobicContact CE1-CE2 4.16Å; Y48-Y314 AromaticContact CE2-CD2 3.85Å; Y48-Y314 HydrophobicContact CE2-CD2 3.85Å; Y48-Y314 AromaticContact CZ-CD2 3.43Å; Y48-Y314 VanDerWaalsContact CZ-CD2 3.43Å; Y48-Y314 AromaticContact CZ-CE2 3.83Å; Y48-Y314 VanDerWaalsContact OH-CD2 3.24Å; Y48-Y314 WeakPolarHBondContact OH-CD2 3.15Å; Y48-Y314 WeakPolarHBondContact OH-CE2 3.08Å; Y48-C317 WeakPolarHBondContact CA-SG 3.17Å; Y48-C317 VanDerWaalsContact CB-SG 3.57Å; Y48-C317 PolarHBondContact N-SG 3.26Å
49C85.6Confident89.5Confident2 Ų221.7 Ų21.71%0.01411%0.109CC..THydrogen-bonded Turntrans-73-17.3179.859.10000112.8I12 I16 R23 Y24 A25 Y47 A51I12-C49 VanDerWaalsContact CD1-SG 3.55Å; I12-C49 VanDerWaalsContact CG1-SG 3.55Å; I16-C49 HydrophobicContact CG2-CB 3.91Å; R23-C49 WeakPolarHBondContact O-CB 3.43Å; Y24-C49 CarbonylContact C-O 3.42Å; Y24-C49 WeakPolarHBondContact CA-O 3.38Å; A25-C49 PolarHBondContact N-O 2.84Å; Y47-C49 PolarHBondContact O-N 3.08Å; Y47-C49 VanDerWaalsContact O-N 3.09Å; C49-A51 PolarHBondContact O-N 3.12Å
50I88.5Confident89.8Confident21 Ų2120.9 Ų20.911%0.10811%0.11CC..EExtended strand (participates in β ladder)trans-78.2104.2168.5-57.7174.8000106.8A25 A44 Y47 Y48 G52 R312A25-I50 WeakPolarHBondContact O-CA 3.44Å; A44-I50 HydrophobicContact CB-CB 3.91Å; A44-I50 HydrophobicContact CB-CD1 4.45Å; A44-I50 HydrophobicContact CB-CG2 3.58Å; Y47-I50 HydrophobicContact CD2-CD1 4.5Å; Y47-I50 PolarHBondContact O-N 2.92Å; Y48-I50 VanDerWaalsContact C-N 3.27Å; Y48-I50 PolarHBondContact O-N 3.4Å; I50-G52 VanDerWaalsContact C-N 3.32Å; I50-G52 WeakPolarHBondContact CG2-O 3.12Å; I50-R312 PolarHBondContact O-NH2 2.98Å
51A91Very high90.1Very high3 Ų322 Ų223%0.02512%0.116CC..EExtended strand (participates in β ladder)trans-82.6-13.8-178.100000113Y24 A25 C49 L309 I311Y24-A51 HydrophobicContact CD1-CB 4.49Å; A25-A51 PolarHBondContact O-N 3.49Å; C49-A51 PolarHBondContact O-N 3.12Å; A51-L309 HydrophobicContact CB-CD1 4.13Å; A51-L309 HydrophobicContact CB-CD2 4.39Å; A51-I311 HydrophobicContact CB-CD1 3.9Å
52G93.6Very high90.4Very high0 Ų025.9 Ų25.90%014%0.141CC..EExtended strand (participates in β ladder)trans170.8-179.9176.400000110.8I26 H27 I50 L76I26-G52 WeakPolarHBondContact CA-O 3.37Å; H27-G52 PolarHBondContact N-O 3.46Å; H27-G52 VanDerWaalsContact N-O 3.07Å; I50-G52 VanDerWaalsContact C-N 3.32Å; I50-G52 WeakPolarHBondContact CG2-O 3.12Å; G52-L76 CarbonylContact C-O 3.5Å; G52-L76 WeakPolarHBondContact CA-O 3.3Å
53Y94.8Very high90.8Very high5 Ų526.4 Ų26.42%0.0214%0.144CC..EExtended strand (participates in β ladder)trans-139.7150176.270.2-88.6000112.9H27 I40 D74 L76 L77 V78H27-Y53 CarbonylContact O-C 3.6Å; H27-Y53 VanDerWaalsContact O-CA 3.26Å; H27-Y53 WeakPolarHBondContact O-CA 3.18Å; I40-Y53 HydrophobicContact CB-CG 4.45Å; I40-Y53 VanDerWaalsContact CG2-CB 3.45Å; I40-Y53 HydrophobicContact CG2-CD1 4.15Å; I40-Y53 HydrophobicContact CG2-CD2 4.42Å; I40-Y53 HydrophobicContact CG2-CG 3.77Å; Y53-D74 PolarHBondContact OH-OD2 3.31Å; Y53-L76 HydrophobicContact CD1-CB 3.95Å; Y53-L76 WeakPolarHBondContact CD1-O 3.34Å; Y53-L76 HydrophobicContact CE1-CB 3.89Å; Y53-L76 PolarHBondContact N-O 2.95Å; Y53-L77 HydrophobicContact CD2-CD1 3.91Å; Y53-L77 HydrophobicContact CE1-CB 4.23Å; Y53-L77 HydrophobicContact CE2-CB 4.2Å; Y53-L77 HydrophobicContact CE2-CD1 3.31Å; Y53-L77 HydrophobicContact CE2-CG 4.36Å; Y53-V78 WeakPolarHBondContact O-CG2 3.16Å; Y53-V78 PolarHBondContact O-N 3.09Å
54I96.8Very high91.4Very high1 Ų126.2 Ų26.21%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-95.4111169.4-53-61.6000107.3I26 H27 V28 Q29 V78 G79 L80 R81 D112 Y307I26-I54 HydrophobicContact CG2-CD1 4.2Å; I26-I54 HydrophobicContact CG2-CG1 3.81Å; H27-I54 PolarHBondContact O-N 3.44Å; V28-I54 HydrophobicContact CG1-CB 4.3Å; V28-I54 HydrophobicContact CG2-CB 4.42Å; V28-I54 HydrophobicContact CG2-CG1 4.08Å; Q29-I54 WeakPolarHBondContact CB-O 3.46Å; Q29-I54 PolarHBondContact N-O 3.32Å; I54-V78 HydrophobicContact CD1-CG2 3.76Å; I54-G79 CarbonylContact C-O 3.35Å; I54-G79 WeakPolarHBondContact CA-O 3.29Å; I54-L80 VanDerWaalsContact CG2-C 3.46Å; I54-R81 HydrophobicContact CG2-CB 3.56Å; I54-D112 HydrophobicContact CG2-CB 3.92Å; I54-Y307 HydrophobicContact CD1-CD1 3.89Å; I54-Y307 HydrophobicContact CD1-CE1 3.44Å; I54-Y307 VanDerWaalsContact CD1-CE1 3.44Å
55G96.7Very high92Very high1 Ų128.9 Ų28.91%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-76162.2178.900000112.5S37 G79 L80 R81S37-G55 WeakPolarHBondContact OG-CA 3.46Å; G55-G79 PolarHBondContact N-O 3.42Å; G55-L80 CarbonylContact O-C 3.48Å; G55-L80 VanDerWaalsContact O-CA 3.28Å; G55-L80 WeakPolarHBondContact O-CA 3.34Å; G55-R81 PolarHBondContact O-N 3.23Å
56W96.5Very high92.7Very high25 Ų2528.3 Ų28.310%0.09516%0.162CC..EExtended strand (participates in β ladder)trans-83.7146.2167.7-179.285.1000110.6Q29 S32 Y34 D58 Y82Q29-W56 HydrophobicContact CB-CB 4.04Å; Q29-W56 HydrophobicContact CG-CB 3.94Å; S32-W56 VanDerWaalsContact CA-CE2 3.49Å; S32-W56 VanDerWaalsContact CA-NE1 3.31Å; Y34-W56 HydrophobicContact CD1-CE3 4.03Å; Y34-W56 HydrophobicContact CD1-CZ3 4.41Å; Y34-W56 VanDerWaalsContact CD1-O 3.28Å; Y34-W56 WeakPolarHBondContact CD1-O 3.43Å; Y34-W56 AromaticContact CD2-CE3 4Å; Y34-W56 HydrophobicContact CD2-CE3 4Å; Y34-W56 AromaticContact CD2-CZ3 3.59Å; Y34-W56 HydrophobicContact CD2-CZ3 3.59Å; Y34-W56 HydrophobicContact CE1-CE3 4.07Å; Y34-W56 HydrophobicContact CE1-CZ3 4.31Å; Y34-W56 VanDerWaalsContact CE1-O 3.25Å; Y34-W56 WeakPolarHBondContact CE1-O 3.34Å; Y34-W56 HydrophobicContact CE2-CE3 4.04Å; Y34-W56 HydrophobicContact CE2-CH2 4.48Å; Y34-W56 AromaticContact CE2-CZ3 3.46Å; Y34-W56 HydrophobicContact CE2-CZ3 3.46Å; Y34-W56 VanDerWaalsContact CE2-CZ3 3.46Å; Y34-W56 AromaticContact CG-CE3 3.98Å; Y34-W56 HydrophobicContact CG-CE3 3.98Å; Y34-W56 HydrophobicContact CG-CZ3 4.08Å; Y34-W56 AromaticContact CZ-CZ3 3.83Å; W56-D58 HydrophobicContact CH2-CB 3.61Å; W56-D58 HydrophobicContact CZ2-CB 3.99Å; W56-D58 HydrophobicContact CZ3-CB 4.21Å; W56-Y82 AromaticContact CE2-CD2 3.94Å; W56-Y82 AromaticContact CE2-CE2 3.87Å; W56-Y82 HydrophobicContact CZ2-CD2 4.24Å; W56-Y82 AromaticContact CZ2-CE2 3.72Å; W56-Y82 HydrophobicContact CZ2-CE2 3.72Å; W56-Y82 AromaticContact NE1-CD2 3.44Å; W56-Y82 AromaticContact NE1-CE2 3.65Å
57C95.7Very high93.4Very high0 Ų029.3 Ų29.30%017%0.165CC..  trans-143148.2167.163.80000110.7Y34 L64 L80 Y82Y34-C57 HydrophobicContact CE1-CB 4.16Å; C57-L64 HydrophobicContact CB-CD1 3.58Å; C57-L80 HydrophobicContact CB-CB 4.43Å; C57-L80 HydrophobicContact CB-CD1 4.21Å; C57-L80 HydrophobicContact CB-CD2 4.24Å; C57-Y82 WeakPolarHBondContact O-CB 3.35Å; C57-Y82 WeakPolarHBondContact O-CD2 3.1Å; C57-Y82 VanDerWaalsContact O-CG 3.31Å
58D94.9Very high94Very high43 Ų4327.8 Ų27.823%0.2316%0.159CC..  trans-90.4113.3169.4-170.5-0.6000109.9Y34 W56 S60 D61 Y82Y34-D58 PolarHBondContact OH-N 3.36Å; W56-D58 HydrophobicContact CH2-CB 3.61Å; W56-D58 HydrophobicContact CZ2-CB 3.99Å; W56-D58 HydrophobicContact CZ3-CB 4.21Å; D58-S60 PolarHBondContact O-N 3.19Å; D58-S60 PolarHBondContact OD1-N 3.16Å; D58-D61 HydrophobicContact CB-CB 3.95Å; D58-D61 WeakPolarHBondContact O-CB 3.33Å; D58-D61 PolarHBondContact O-N 2.96Å; D58-Y82 HydrophobicContact CB-CE2 4.37Å; D58-Y82 VanDerWaalsContact OD1-CZ 3.27Å; D58-Y82 PolarHBondContact OD1-OH 3.4Å
59L95.4Very high94.7Very high1 Ų130.8 Ų30.81%0.00518%0.175CC..THydrogen-bonded Turntrans-68.2-18.4178.3-72.4178.4000112.5L64 Y82 Y91 I97 N100 F101 I104 F111L59-L64 HydrophobicContact CD2-CD2 4.2Å; L59-Y82 HydrophobicContact CB-CD1 3.98Å; L59-Y82 HydrophobicContact CB-CE1 4.42Å; L59-Y82 HydrophobicContact CD1-CD1 4.05Å; L59-Y82 HydrophobicContact CD1-CG 4.49Å; L59-Y82 HydrophobicContact CG-CD1 4Å; L59-Y82 HydrophobicContact CG-CG 4.23Å; L59-Y91 HydrophobicContact CB-CE1 4.36Å; L59-Y91 WeakPolarHBondContact CB-OH 3.47Å; L59-Y91 HydrophobicContact CD1-CE1 4.34Å; L59-I97 VanDerWaalsContact C-CD1 3.49Å; L59-I97 HydrophobicContact CB-CD1 4.01Å; L59-I97 HydrophobicContact CB-CG2 4.39Å; L59-I97 HydrophobicContact CD1-CG2 4.3Å; L59-I97 WeakPolarHBondContact O-CD1 3.29Å; L59-N100 PolarHBondContact O-ND2 3.22Å; L59-F101 HydrophobicContact CD1-CE1 4.49Å; L59-F101 HydrophobicContact CD1-CE2 3.72Å; L59-F101 HydrophobicContact CD1-CZ 3.58Å; L59-F101 HydrophobicContact CD2-CE1 4.34Å; L59-F101 HydrophobicContact CD2-CE2 4.17Å; L59-F101 HydrophobicContact CD2-CZ 4.09Å; L59-I104 HydrophobicContact CD2-CD1 3.89Å; L59-F111 HydrophobicContact CD1-CE1 4.43Å; L59-F111 HydrophobicContact CD1-CE2 4.36Å; L59-F111 HydrophobicContact CD1-CZ 3.71Å; L59-F111 HydrophobicContact CD2-CE2 3.93Å; L59-F111 HydrophobicContact CD2-CZ 4.12Å; L59-F111 HydrophobicContact CG-CE2 4.35Å; L59-F111 HydrophobicContact CG-CZ 4.14Å
60S94.9Very high95.1Very high42 Ų4237.4 Ų37.429%0.29421%0.206SC..THydrogen-bonded Turntrans-89.6-1.9177.1-65.80000114D58 P62 Y91 M96D58-S60 PolarHBondContact O-N 3.19Å; D58-S60 PolarHBondContact OD1-N 3.16Å; S60-P62 VanDerWaalsContact O-CD 3.32Å; S60-P62 WeakPolarHBondContact O-CD 3.38Å; S60-Y91 PolarHBondContact N-OH 3.47Å; S60-Y91 WeakPolarHBondContact OG-CE2 3.22Å; S60-Y91 PolarHBondContact OG-OH 3.25Å; S60-M96 VanDerWaalsContact O-CE 3.24Å; S60-M96 WeakPolarHBondContact O-CE 2.96Å
61D95.4Very high95.4Very high29 Ų2937.6 Ų37.616%0.15521%0.207CC..  trans-78.5117.4179.8177.58.5000110.9D58 S63 L64 H67 N100D58-D61 HydrophobicContact CB-CB 3.95Å; D58-D61 WeakPolarHBondContact O-CB 3.33Å; D58-D61 PolarHBondContact O-N 2.96Å; D61-S63 PolarHBondContact O-N 2.67Å; D61-S63 VanDerWaalsContact O-N 3.11Å; D61-S63 WeakPolarHBondContact OD1-CA 3.44Å; D61-S63 WeakPolarHBondContact OD1-CB 3.38Å; D61-S63 PolarHBondContact OD1-N 3.49Å; D61-L64 HydrophobicContact CB-CB 4.39Å; D61-L64 VanDerWaalsContact O-CB 3.25Å; D61-L64 WeakPolarHBondContact O-CB 3.49Å; D61-L64 PolarHBondContact O-N 3.46Å; D61-H67 IonicContact OD2-CE1 2.71Å; D61-H67 PolarHBondContact OD2-CE1 3.34Å; D61-H67 IonicContact OD2-ND1 3.82Å; D61-H67 PolarHBondContact OD2-ND1 3.07Å; D61-N100 PolarHBondContact O-ND2 3.17Å
62P95.4Very high95.5Very high98 Ų9839.2 Ų39.264%0.63622%0.218SC*.THydrogen-bonded Turntrans-62.4-19.1176.6-20.132.6000113.4S60 M96S60-P62 VanDerWaalsContact O-CD 3.32Å; S60-P62 WeakPolarHBondContact O-CD 3.38Å; P62-M96 HydrophobicContact CG-SD 4.07Å
63S96.1Very high95.6Very high56 Ų5646.2 Ų46.239%0.39225%0.25SC..THydrogen-bonded Turntrans-94.65.8178.8-51.90000113D61 S65 N66 H67D61-S63 PolarHBondContact O-N 2.67Å; D61-S63 VanDerWaalsContact O-N 3.11Å; D61-S63 WeakPolarHBondContact OD1-CA 3.44Å; D61-S63 WeakPolarHBondContact OD1-CB 3.38Å; D61-S63 PolarHBondContact OD1-N 3.49Å; S63-S65 PolarHBondContact O-N 2.8Å; S63-S65 VanDerWaalsContact O-N 3.12Å; S63-N66 WeakPolarHBondContact O-CB 3.19Å; S63-N66 PolarHBondContact O-N 2.86Å; S63-H67 PolarHBondContact O-N 2.83Å
64L96.7Very high95.5Very high0 Ų047.4 Ų47.40%026%0.257CS..Hα-helixtrans-52.8-39.7-175.7177.664.3000112.1Y34 C57 L59 D61 N66 H67 V68 N100 I104Y34-L64 WeakPolarHBondContact OH-CD1 3.47Å; C57-L64 HydrophobicContact CB-CD1 3.58Å; L59-L64 HydrophobicContact CD2-CD2 4.2Å; D61-L64 HydrophobicContact CB-CB 4.39Å; D61-L64 VanDerWaalsContact O-CB 3.25Å; D61-L64 WeakPolarHBondContact O-CB 3.49Å; D61-L64 PolarHBondContact O-N 3.46Å; L64-N66 PolarHBondContact O-N 3.05Å; L64-H67 WeakPolarHBondContact O-CB 3.39Å; L64-H67 PolarHBondContact O-N 3.41Å; L64-V68 HydrophobicContact CD1-CG2 3.59Å; L64-V68 HydrophobicContact CD2-CG2 4.41Å; L64-V68 HydrophobicContact CG-CG2 3.68Å; L64-V68 VanDerWaalsContact O-CG2 3.29Å; L64-V68 WeakPolarHBondContact O-CG2 3.36Å; L64-V68 PolarHBondContact O-N 3.33Å; L64-N100 HydrophobicContact CD2-CB 3.55Å; L64-I104 HydrophobicContact CD2-CD1 4.16Å; L64-I104 HydrophobicContact CD2-CG1 4.44Å
65S96.6Very high95.2Very high55 Ų5552.9 Ų52.939%0.38529%0.292SS..Hα-helixtrans-51.9-40.1177.457.20000113.5S63 Q69S63-S65 PolarHBondContact O-N 2.8Å; S63-S65 VanDerWaalsContact O-N 3.12Å; S65-Q69 WeakPolarHBondContact O-CB 3.34Å; S65-Q69 PolarHBondContact O-N 2.97Å
66N96.6Very high95Very high100 Ų10053.8 Ų53.854%0.53530%0.297SS..Hα-helixtrans-70.2-43.3176.2-65.3-33.1000111.5S63 L64 Q69 Q70S63-N66 WeakPolarHBondContact O-CB 3.19Å; S63-N66 PolarHBondContact O-N 2.86Å; L64-N66 PolarHBondContact O-N 3.05Å; N66-Q69 PolarHBondContact O-N 3.45Å; N66-Q70 WeakPolarHBondContact O-CB 3.32Å; N66-Q70 PolarHBondContact O-N 2.88Å
67H95.2Very high94.9Very high61 Ų6153.2 Ų53.228%0.28230%0.295SS..Hα-helixtrans-61.4-47.7177.4-67.7141.4000111.5Y34 D61 S63 L64 Q69 Q70 M71Y34-H67 HydrophobicContact CE1-CB 4.01Å; Y34-H67 AromaticContact CE2-CE1 3.92Å; Y34-H67 AromaticContact CE2-ND1 3.62Å; Y34-H67 AromaticContact CZ-CG 3.88Å; Y34-H67 AromaticContact CZ-ND1 3.63Å; Y34-H67 PolarHBondContact OH-ND1 3.1Å; D61-H67 IonicContact OD2-CE1 2.71Å; D61-H67 PolarHBondContact OD2-CE1 3.34Å; D61-H67 IonicContact OD2-ND1 3.82Å; D61-H67 PolarHBondContact OD2-ND1 3.07Å; S63-H67 PolarHBondContact O-N 2.83Å; L64-H67 WeakPolarHBondContact O-CB 3.39Å; L64-H67 PolarHBondContact O-N 3.41Å; H67-Q69 PolarHBondContact O-N 3.38Å; H67-Q70 PolarHBondContact O-N 3.37Å; H67-M71 WeakPolarHBondContact O-CB 3.02Å; H67-M71 WeakPolarHBondContact O-CG 3.29Å; H67-M71 PolarHBondContact O-N 3.46Å
68V96Very high95Very high0 Ų053.8 Ų53.80%030%0.299CS..Hα-helixtrans-62.2-43.9178.6-178.60000110.4L64 Q70 M71 S72 L80 I104 Q107 L109L64-V68 HydrophobicContact CD1-CG2 3.59Å; L64-V68 HydrophobicContact CD2-CG2 4.41Å; L64-V68 HydrophobicContact CG-CG2 3.68Å; L64-V68 VanDerWaalsContact O-CG2 3.29Å; L64-V68 WeakPolarHBondContact O-CG2 3.36Å; L64-V68 PolarHBondContact O-N 3.33Å; V68-Q70 PolarHBondContact O-N 2.86Å; V68-M71 PolarHBondContact O-N 3.25Å; V68-S72 VanDerWaalsContact O-CB 3.3Å; V68-S72 WeakPolarHBondContact O-CB 3.28Å; V68-S72 PolarHBondContact O-N 2.96Å; V68-S72 PolarHBondContact O-OG 3.33Å; V68-L80 HydrophobicContact CB-CD1 4.48Å; V68-L80 HydrophobicContact CG1-CD1 4.07Å; V68-L80 HydrophobicContact CG2-CD1 3.7Å; V68-I104 HydrophobicContact CG2-CG1 4.11Å; V68-Q107 HydrophobicContact CG1-CB 3.88Å; V68-Q107 HydrophobicContact CG1-CG 3.63Å; V68-L109 HydrophobicContact CG1-CD1 3.71Å
69Q96.1Very high95.1Very high103 Ų10351.8 Ų51.848%0.48129%0.288SS..Hα-helixtrans-58.8-47.5175.6-175.2178.919.800111.4S65 N66 H67 S72S65-Q69 WeakPolarHBondContact O-CB 3.34Å; S65-Q69 PolarHBondContact O-N 2.97Å; N66-Q69 PolarHBondContact O-N 3.45Å; H67-Q69 PolarHBondContact O-N 3.38Å; Q69-S72 PolarHBondContact O-N 3.09Å; Q69-S72 PolarHBondContact O-OG 3.2Å
70Q94.9Very high95.2Very high141 Ų14151.7 Ų51.766%0.65929%0.288SS*.Hα-helixtrans-63.4-45179-176.1179.3-6.100112N66 H67 V68 S72 H73N66-Q70 WeakPolarHBondContact O-CB 3.32Å; N66-Q70 PolarHBondContact O-N 2.88Å; H67-Q70 PolarHBondContact O-N 3.37Å; V68-Q70 PolarHBondContact O-N 2.86Å; Q70-S72 VanDerWaalsContact C-N 3.31Å; Q70-S72 PolarHBondContact O-N 2.88Å; Q70-H73 WeakPolarHBondContact O-CB 3.15Å; Q70-H73 PolarHBondContact O-CD2 2.52Å; Q70-H73 PolarHBondContact O-N 2.99Å
71M94.5Very high95.4Very high26 Ų2651 Ų5113%0.12828%0.279CS..Hα-helixtrans-66.2-33.3-179.7-69.5176.463.300112Y34 S37 H67 V68 H73 D74 L77 L80Y34-M71 HydrophobicContact CD1-CE 4.47Å; Y34-M71 HydrophobicContact CD1-SD 3.55Å; Y34-M71 VanDerWaalsContact CD1-SD 3.55Å; Y34-M71 HydrophobicContact CE1-SD 3.77Å; S37-M71 WeakPolarHBondContact OG-CE 3.1Å; H67-M71 WeakPolarHBondContact O-CB 3.02Å; H67-M71 WeakPolarHBondContact O-CG 3.29Å; H67-M71 PolarHBondContact O-N 3.46Å; V68-M71 PolarHBondContact O-N 3.25Å; M71-H73 PolarHBondContact O-N 3.04Å; M71-D74 WeakPolarHBondContact O-CB 3.47Å; M71-D74 PolarHBondContact O-N 3.3Å; M71-L77 HydrophobicContact CB-CD2 3.66Å; M71-L77 HydrophobicContact CE-CD1 4.01Å; M71-L77 HydrophobicContact CE-CD2 4.34Å; M71-L77 WeakPolarHBondContact O-CD2 3.44Å; M71-L80 HydrophobicContact CE-CD2 3.57Å; M71-L80 HydrophobicContact SD-CD2 4.34Å
72S93.9Very high95.4Very high37 Ų3751.2 Ų51.226%0.25928%0.278SS..THydrogen-bonded Turntrans-63.1-12.2179.673.50000114.5V68 Q69 Q70 D74V68-S72 VanDerWaalsContact O-CB 3.3Å; V68-S72 WeakPolarHBondContact O-CB 3.28Å; V68-S72 PolarHBondContact O-N 2.96Å; V68-S72 PolarHBondContact O-OG 3.33Å; Q69-S72 PolarHBondContact O-N 3.09Å; Q69-S72 PolarHBondContact O-OG 3.2Å; Q70-S72 VanDerWaalsContact C-N 3.31Å; Q70-S72 PolarHBondContact O-N 2.88Å; S72-D74 PolarHBondContact O-N 2.81Å
73H93.8Very high95.3Very high146 Ų14649.6 Ų49.668%0.67626%0.264SS*.THydrogen-bonded Turntrans-72-17.8171.8-68.3-51.3000113.5Q70 M71 P75Q70-H73 WeakPolarHBondContact O-CB 3.15Å; Q70-H73 PolarHBondContact O-CD2 2.52Å; Q70-H73 PolarHBondContact O-N 2.99Å; M71-H73 PolarHBondContact O-N 3.04Å; H73-P75 WeakPolarHBondContact O-CD 3.36Å
74D93Very high95.2Very high31 Ų3147.1 Ų47.117%0.16625%0.246CC..  trans-80.6116.1174.9-168.8-33.4000110.3S41 Y53 M71 S72 L76 L77S41-D74 WeakPolarHBondContact CB-OD2 3.42Å; S41-D74 PolarHBondContact OG-OD2 3.38Å; Y53-D74 PolarHBondContact OH-OD2 3.31Å; M71-D74 WeakPolarHBondContact O-CB 3.47Å; M71-D74 PolarHBondContact O-N 3.3Å; S72-D74 PolarHBondContact O-N 2.81Å; D74-L76 PolarHBondContact O-N 3.14Å; D74-L76 VanDerWaalsContact O-N 3.16Å; D74-L76 WeakPolarHBondContact OD1-CB 3.15Å; D74-L76 PolarHBondContact OD1-N 3.31Å; D74-L77 HydrophobicContact CB-CB 4.23Å; D74-L77 WeakPolarHBondContact O-CB 3.47Å; D74-L77 PolarHBondContact O-N 3.12Å; D74-L77 VanDerWaalsContact O-N 3.13Å
75P90.5Very high94.8Very high115 Ų11547.8 Ų47.875%0.74725%0.251SS*.THydrogen-bonded Turntrans-68.3-12.4-178.930.2-36.7000113.9H73H73-P75 WeakPolarHBondContact O-CD 3.36Å
76L92.4Very high94.4Very high21 Ų2152.9 Ų52.911%0.1127%0.268CS..THydrogen-bonded Turntrans-92.8-11.4176.4-63.3170.5000112.4A44 G52 Y53 D74 V78A44-L76 HydrophobicContact CB-CD1 3.64Å; G52-L76 CarbonylContact C-O 3.5Å; G52-L76 WeakPolarHBondContact CA-O 3.3Å; Y53-L76 HydrophobicContact CD1-CB 3.95Å; Y53-L76 WeakPolarHBondContact CD1-O 3.34Å; Y53-L76 HydrophobicContact CE1-CB 3.89Å; Y53-L76 PolarHBondContact N-O 2.95Å; D74-L76 PolarHBondContact O-N 3.14Å; D74-L76 VanDerWaalsContact O-N 3.16Å; D74-L76 WeakPolarHBondContact OD1-CB 3.15Å; D74-L76 PolarHBondContact OD1-N 3.31Å; L76-V78 PolarHBondContact O-N 3.42Å
77L95.5Very high94.2Very high12 Ų1251.1 Ų51.16%0.06326%0.258CS..EExtended strand (participates in β ladder)trans-72.5117.9171-178.574.9000109.3Y53 M71 D74 G79 L80 L109Y53-L77 HydrophobicContact CD2-CD1 3.91Å; Y53-L77 HydrophobicContact CE1-CB 4.23Å; Y53-L77 HydrophobicContact CE2-CB 4.2Å; Y53-L77 HydrophobicContact CE2-CD1 3.31Å; Y53-L77 HydrophobicContact CE2-CG 4.36Å; M71-L77 HydrophobicContact CB-CD2 3.66Å; M71-L77 HydrophobicContact CE-CD1 4.01Å; M71-L77 HydrophobicContact CE-CD2 4.34Å; M71-L77 WeakPolarHBondContact O-CD2 3.44Å; D74-L77 HydrophobicContact CB-CB 4.23Å; D74-L77 WeakPolarHBondContact O-CB 3.47Å; D74-L77 PolarHBondContact O-N 3.12Å; D74-L77 VanDerWaalsContact O-N 3.13Å; L77-G79 VanDerWaalsContact CD1-O 3.29Å; L77-G79 WeakPolarHBondContact CD1-O 3.32Å; L77-L80 HydrophobicContact CD1-CD2 4.27Å; L77-L109 HydrophobicContact CD2-CD1 3.77Å; L77-L109 HydrophobicContact CD2-CD2 3.96Å; L77-L109 HydrophobicContact CG-CD2 4.02Å
78V96.8Very high94.2Very high13 Ų1353.4 Ų53.48%0.07927%0.272CS..EExtended strand (participates in β ladder)trans-114.7-8.2-178-60.10000113.3I26 Y53 I54 L76 V110 Y307 L309I26-V78 HydrophobicContact CG2-CG2 4Å; Y53-V78 WeakPolarHBondContact O-CG2 3.16Å; Y53-V78 PolarHBondContact O-N 3.09Å; I54-V78 HydrophobicContact CD1-CG2 3.76Å; L76-V78 PolarHBondContact O-N 3.42Å; V78-V110 PolarHBondContact O-N 3.27Å; V78-Y307 HydrophobicContact CB-CD1 4.23Å; V78-Y307 WeakPolarHBondContact CB-O 3.48Å; V78-Y307 WeakPolarHBondContact CG1-O 2.95Å; V78-Y307 HydrophobicContact CG2-CD1 3.9Å; V78-Y307 HydrophobicContact CG2-CG 4.21Å; V78-L309 HydrophobicContact CB-CD2 4.39Å; V78-L309 HydrophobicContact CG1-CD2 3.83Å; V78-L309 HydrophobicContact CG2-CD2 4.35Å
79G97.8Very high94Very high0 Ų053.5 Ų53.50%027%0.273CS..EExtended strand (participates in β ladder)trans179.6-178.7177.500000113.2I54 G55 L77 V110I54-G79 CarbonylContact C-O 3.35Å; I54-G79 WeakPolarHBondContact CA-O 3.29Å; G55-G79 PolarHBondContact N-O 3.42Å; L77-G79 VanDerWaalsContact CD1-O 3.29Å; L77-G79 WeakPolarHBondContact CD1-O 3.32Å; G79-V110 CarbonylContact C-O 3.57Å; G79-V110 WeakPolarHBondContact CA-O 3.48Å
80L97.9Very high94Very high0 Ų053.4 Ų53.40%028%0.276CS..EExtended strand (participates in β ladder)trans-129.7152.6179.2-65.1169.9000110.7I54 G55 C57 V68 M71 L77 I104 L109 V110 F111 D112I54-L80 VanDerWaalsContact CG2-C 3.46Å; G55-L80 CarbonylContact O-C 3.48Å; G55-L80 VanDerWaalsContact O-CA 3.28Å; G55-L80 WeakPolarHBondContact O-CA 3.34Å; C57-L80 HydrophobicContact CB-CB 4.43Å; C57-L80 HydrophobicContact CB-CD1 4.21Å; C57-L80 HydrophobicContact CB-CD2 4.24Å; V68-L80 HydrophobicContact CB-CD1 4.48Å; V68-L80 HydrophobicContact CG1-CD1 4.07Å; V68-L80 HydrophobicContact CG2-CD1 3.7Å; M71-L80 HydrophobicContact CE-CD2 3.57Å; M71-L80 HydrophobicContact SD-CD2 4.34Å; L77-L80 HydrophobicContact CD1-CD2 4.27Å; L80-I104 HydrophobicContact CD1-CD1 4.34Å; L80-I104 HydrophobicContact CD1-CG1 4.01Å; L80-I104 HydrophobicContact CD1-CG2 4.36Å; L80-L109 HydrophobicContact CD1-CD1 3.98Å; L80-L109 HydrophobicContact CG-CD1 4.2Å; L80-V110 PolarHBondContact N-O 2.88Å; L80-F111 HydrophobicContact CB-CD2 4.18Å; L80-F111 HydrophobicContact CB-CE2 4.44Å; L80-F111 WeakPolarHBondContact O-CA 3.39Å; L80-F111 WeakPolarHBondContact O-CD2 3.47Å; L80-D112 PolarHBondContact O-N 2.88Å
81R97.5Very high94.1Very high27 Ų2748.6 Ų48.610%0.10225%0.252CS..EExtended strand (participates in β ladder)trans-139.6134.3177.1179.7177.3-178.8-89.3-13.4110.2Q29 I54 G55 D83 D112 A114 N138Q29-R81 HydrophobicContact CG-CB 3.98Å; Q29-R81 HydrophobicContact CG-CG 4.39Å; Q29-R81 VanDerWaalsContact NE2-NH1 3.12Å; I54-R81 HydrophobicContact CG2-CB 3.56Å; G55-R81 PolarHBondContact O-N 3.23Å; R81-D83 IonicContact CZ-OD2 3.69Å; R81-D83 IonicContact NH1-OD2 2.75Å; R81-D83 IonicContact NH2-OD2 3.74Å; R81-D83 PolarHBondContact NH2-OD2 3.43Å; R81-D112 HydrophobicContact CB-CB 3.8Å; R81-D112 HydrophobicContact CG-CB 4.09Å; R81-A114 HydrophobicContact CG-CB 4.23Å; R81-A114 VanDerWaalsContact NH2-CB 3.33Å; R81-N138 PolarHBondContact NE-OD1 3.39Å; R81-N138 VanDerWaalsContact NE-OD1 3.11Å
82Y95.8Very high94.2Very high33 Ų3347.5 Ų47.513%0.12925%0.247CC..EExtended strand (participates in β ladder)trans-129.4125.5165.5-165.5-121.8000108.7W56 C57 D58 L59 V84 M87 Y91W56-Y82 AromaticContact CE2-CD2 3.94Å; W56-Y82 AromaticContact CE2-CE2 3.87Å; W56-Y82 HydrophobicContact CZ2-CD2 4.24Å; W56-Y82 AromaticContact CZ2-CE2 3.72Å; W56-Y82 HydrophobicContact CZ2-CE2 3.72Å; W56-Y82 AromaticContact NE1-CD2 3.44Å; W56-Y82 AromaticContact NE1-CE2 3.65Å; C57-Y82 WeakPolarHBondContact O-CB 3.35Å; C57-Y82 WeakPolarHBondContact O-CD2 3.1Å; C57-Y82 VanDerWaalsContact O-CG 3.31Å; D58-Y82 HydrophobicContact CB-CE2 4.37Å; D58-Y82 VanDerWaalsContact OD1-CZ 3.27Å; D58-Y82 PolarHBondContact OD1-OH 3.4Å; L59-Y82 HydrophobicContact CB-CD1 3.98Å; L59-Y82 HydrophobicContact CB-CE1 4.42Å; L59-Y82 HydrophobicContact CD1-CD1 4.05Å; L59-Y82 HydrophobicContact CD1-CG 4.49Å; L59-Y82 HydrophobicContact CG-CD1 4Å; L59-Y82 HydrophobicContact CG-CG 4.23Å; Y82-V84 HydrophobicContact CD1-CG1 3.28Å; Y82-V84 HydrophobicContact CE1-CG1 3.73Å; Y82-V84 HydrophobicContact CG-CG1 4.28Å; Y82-V84 PolarHBondContact O-N 3.24Å; Y82-M87 HydrophobicContact CE1-CE 3.91Å; Y82-Y91 WeakPolarHBondContact CE1-OH 3.33Å
83D93.3Very high94.3Very high65 Ų6549.1 Ų49.135%0.34825%0.252SS..EExtended strand (participates in β ladder)trans-85.7111.6-178.6-159.2-32.7000109.6R81 S85 A114R81-D83 IonicContact CZ-OD2 3.69Å; R81-D83 IonicContact NH1-OD2 2.75Å; R81-D83 IonicContact NH2-OD2 3.74Å; R81-D83 PolarHBondContact NH2-OD2 3.43Å; D83-S85 WeakPolarHBondContact OD1-CB 3.27Å; D83-S85 PolarHBondContact OD1-N 3.14Å; D83-S85 VanDerWaalsContact OD1-N 3.16Å; D83-S85 PolarHBondContact OD1-OG 2.92Å; D83-A114 HydrophobicContact CB-CB 4.25Å
84V93.5Very high94.4Very high3 Ų345.6 Ų45.62%0.01824%0.238CC..  trans-120.515.5-179.6-56.60000111.2Y82 E86 M87 Y91 L92 A114 I115 Q119Y82-V84 HydrophobicContact CD1-CG1 3.28Å; Y82-V84 HydrophobicContact CE1-CG1 3.73Å; Y82-V84 HydrophobicContact CG-CG1 4.28Å; Y82-V84 PolarHBondContact O-N 3.24Å; V84-E86 PolarHBondContact O-N 3.34Å; V84-E86 VanDerWaalsContact O-N 3.15Å; V84-M87 HydrophobicContact CB-CB 4.27Å; V84-M87 HydrophobicContact CB-CG 4.14Å; V84-M87 HydrophobicContact CB-SD 3.87Å; V84-M87 HydrophobicContact CG1-CE 4.19Å; V84-M87 HydrophobicContact CG1-SD 3.77Å; V84-M87 WeakPolarHBondContact O-CB 3.49Å; V84-M87 PolarHBondContact O-N 3.06Å; V84-Y91 HydrophobicContact CB-CD1 4.28Å; V84-Y91 HydrophobicContact CB-CE1 4.42Å; V84-Y91 HydrophobicContact CG1-CD1 3.98Å; V84-Y91 HydrophobicContact CG1-CE1 3.63Å; V84-L92 HydrophobicContact CG2-CD2 4.09Å; V84-A114 PolarHBondContact N-O 3.26Å; V84-I115 HydrophobicContact CG2-CG2 3.73Å; V84-Q119 PolarHBondContact O-NE2 2.86Å; V84-Q119 PolarHBondContact O-OE1 3.36Å
85S90Very high94.6Very high14 Ų1448.4 Ų48.410%0.09826%0.26CS..THydrogen-bonded Turntrans-59.7-26.8-175.155.60000113.6D83 A114 H118D83-S85 WeakPolarHBondContact OD1-CB 3.27Å; D83-S85 PolarHBondContact OD1-N 3.14Å; D83-S85 VanDerWaalsContact OD1-N 3.16Å; D83-S85 PolarHBondContact OD1-OG 2.92Å; S85-A114 PolarHBondContact N-O 3.41Å; S85-H118 PolarHBondContact O-CE1 3.16Å
86E87.5Confident94.8Very high162 Ų16246.2 Ų46.276%0.75724%0.241SC*.THydrogen-bonded Turntrans-94.9-0.8177.1-59.1-63.3153.900113.3V84V84-E86 PolarHBondContact O-N 3.34Å; V84-E86 VanDerWaalsContact O-N 3.15Å
87M92.4Very high95Very high63 Ų6345.3 Ų45.331%0.3124%0.236SC..SBendtrans-88.3162.3179.4-57.8-173-174.300111.4Y82 V84 Y91 H118 Q119Y82-M87 HydrophobicContact CE1-CE 3.91Å; V84-M87 HydrophobicContact CB-CB 4.27Å; V84-M87 HydrophobicContact CB-CG 4.14Å; V84-M87 HydrophobicContact CB-SD 3.87Å; V84-M87 HydrophobicContact CG1-CE 4.19Å; V84-M87 HydrophobicContact CG1-SD 3.77Å; V84-M87 WeakPolarHBondContact O-CB 3.49Å; V84-M87 PolarHBondContact O-N 3.06Å; M87-Y91 HydrophobicContact SD-CD1 4.15Å; M87-Y91 HydrophobicContact SD-CD2 3.88Å; M87-Y91 HydrophobicContact SD-CE1 4.19Å; M87-Y91 HydrophobicContact SD-CE2 3.88Å; M87-Y91 HydrophobicContact SD-CG 4.01Å; M87-H118 PolarHBondContact O-NE2 3.05Å; M87-Q119 PolarHBondContact O-NE2 3.21Å; M87-Q119 VanDerWaalsContact O-NE2 3.08Å
88D95Very high95.1Very high110 Ų11045.7 Ų45.759%0.58824%0.238SC*.  trans-60.5148.5169.5-167-81.3000110.9D90 Y91 Q119D88-D90 VanDerWaalsContact C-N 3.28Å; D88-D90 PolarHBondContact O-N 3.29Å; D88-D90 WeakPolarHBondContact OD1-CB 3.31Å; D88-D90 PolarHBondContact OD1-N 2.71Å; D88-Y91 WeakPolarHBondContact O-CB 3.5Å; D88-Y91 PolarHBondContact O-N 3.27Å; D88-Q119 PolarHBondContact O-NE2 2.85Å
89G92.7Very high95.1Very high2 Ų248.5 Ų48.52%0.02126%0.258CS..G310 helixtrans-66.1-30179.900000113.8Y91 L92 H122G89-Y91 PolarHBondContact O-N 3.14Å; G89-Y91 VanDerWaalsContact O-N 3.15Å; G89-L92 PolarHBondContact O-N 2.89Å; G89-L92 VanDerWaalsContact O-N 3.07Å; G89-H122 PolarHBondContact O-CD2 3.14Å; G89-H122 VanDerWaalsContact O-CD2 3.26Å
90D96.2Very high95Very high100 Ų10049 Ų4954%0.53526%0.261SS..G310 helixtrans-65-17.3178.2-74.2-14000112.2D88 L92 L93 D94 H122D88-D90 VanDerWaalsContact C-N 3.28Å; D88-D90 PolarHBondContact O-N 3.29Å; D88-D90 WeakPolarHBondContact OD1-CB 3.31Å; D88-D90 PolarHBondContact OD1-N 2.71Å; D90-L92 PolarHBondContact O-N 2.76Å; D90-L93 WeakPolarHBondContact O-CB 3.3Å; D90-L93 PolarHBondContact O-N 3.45Å; D90-D94 PolarHBondContact O-N 3.12Å; D90-H122 IonicContact OD1-NE2 3.81Å
91Y96.6Very high95Very high40 Ų4049 Ų4916%0.15726%0.261CS..G310 helixtrans-52.3-40.6169.6-178.7-93.5000111.7L59 S60 Y82 V84 M87 D88 G89 L93 D94 I97L59-Y91 HydrophobicContact CB-CE1 4.36Å; L59-Y91 WeakPolarHBondContact CB-OH 3.47Å; L59-Y91 HydrophobicContact CD1-CE1 4.34Å; S60-Y91 PolarHBondContact N-OH 3.47Å; S60-Y91 WeakPolarHBondContact OG-CE2 3.22Å; S60-Y91 PolarHBondContact OG-OH 3.25Å; Y82-Y91 WeakPolarHBondContact CE1-OH 3.33Å; V84-Y91 HydrophobicContact CB-CD1 4.28Å; V84-Y91 HydrophobicContact CB-CE1 4.42Å; V84-Y91 HydrophobicContact CG1-CD1 3.98Å; V84-Y91 HydrophobicContact CG1-CE1 3.63Å; M87-Y91 HydrophobicContact SD-CD1 4.15Å; M87-Y91 HydrophobicContact SD-CD2 3.88Å; M87-Y91 HydrophobicContact SD-CE1 4.19Å; M87-Y91 HydrophobicContact SD-CE2 3.88Å; M87-Y91 HydrophobicContact SD-CG 4.01Å; D88-Y91 WeakPolarHBondContact O-CB 3.5Å; D88-Y91 PolarHBondContact O-N 3.27Å; G89-Y91 PolarHBondContact O-N 3.14Å; G89-Y91 VanDerWaalsContact O-N 3.15Å; Y91-L93 PolarHBondContact O-N 3.09Å; Y91-D94 PolarHBondContact O-N 2.9Å; Y91-I97 HydrophobicContact CE1-CD1 3.98Å; Y91-I97 HydrophobicContact CE1-CG1 4.16Å; Y91-I97 HydrophobicContact CE1-CG2 4.3Å; Y91-I97 HydrophobicContact CE2-CD1 3.92Å; Y91-I97 HydrophobicContact CE2-CG1 4.32Å; Y91-I97 WeakPolarHBondContact O-CG1 3.28Å; Y91-I97 WeakPolarHBondContact OH-CD1 3.5Å
92L95.8Very high95Very high3 Ų350.1 Ų50.12%0.01627%0.273CS..G310 helixtrans-75-9.5179.6-63.4179.7000113.7V84 G89 D90 I115 Q119 H122 L126V84-L92 HydrophobicContact CG2-CD2 4.09Å; G89-L92 PolarHBondContact O-N 2.89Å; G89-L92 VanDerWaalsContact O-N 3.07Å; D90-L92 PolarHBondContact O-N 2.76Å; L92-I115 HydrophobicContact CD1-CG2 4.01Å; L92-Q119 HydrophobicContact CD1-CB 4.24Å; L92-H122 HydrophobicContact CB-CB 4.2Å; L92-H122 HydrophobicContact CD1-CB 4.09Å; L92-L126 HydrophobicContact CB-CD1 4.08Å; L92-L126 HydrophobicContact CD1-CD1 4.35Å; L92-L126 HydrophobicContact CD2-CD1 3.77Å; L92-L126 HydrophobicContact CG-CD1 4.29Å
93L96.2Very high95.1Very high71 Ų7149.5 Ų49.537%0.37228%0.275SS..G310 helixtrans-99.4-6.8178.5-54.2-174.5000112.5D90 Y91 H125D90-L93 WeakPolarHBondContact O-CB 3.3Å; D90-L93 PolarHBondContact O-N 3.45Å; Y91-L93 PolarHBondContact O-N 3.09Å; L93-H125 HydrophobicContact CD2-CB 3.66Å; L93-H125 VanDerWaalsContact CD2-CD2 3.46Å; L93-H125 WeakPolarHBondContact CD2-CD2 3.32Å
94D96.3Very high95.3Very high72 Ų7246.4 Ų46.439%0.38526%0.258SS..  trans-67.1139.5-179.3177.9-86.1000112.1D90 Y91 M96 I97 D98D90-D94 PolarHBondContact O-N 3.12Å; Y91-D94 PolarHBondContact O-N 2.9Å; D94-M96 VanDerWaalsContact C-N 3.34Å; D94-M96 PolarHBondContact O-N 2.92Å; D94-M96 WeakPolarHBondContact OD1-CA 3Å; D94-M96 VanDerWaalsContact OD1-CB 3.23Å; D94-M96 WeakPolarHBondContact OD1-CB 3.45Å; D94-M96 PolarHBondContact OD1-N 2.87Å; D94-I97 HydrophobicContact CB-CB 4.29Å; D94-I97 HydrophobicContact CB-CG1 3.8Å; D94-I97 WeakPolarHBondContact O-CB 3.35Å; D94-I97 PolarHBondContact O-N 3.34Å; D94-I97 PolarHBondContact OD1-N 2.66Å; D94-D98 PolarHBondContact O-N 3.13Å
95S95.8Very high95.5Very high91 Ų9148.4 Ų48.464%0.63627%0.267SS*.Hα-helixtrans-66.8-30-174.163.60000114.6S99S95-S99 PolarHBondContact O-N 3.41Å; S95-S99 VanDerWaalsContact O-N 3.08Å; S95-S99 PolarHBondContact O-OG 3.17Å
96M95.8Very high95.9Very high69 Ų6954.6 Ų54.634%0.3429%0.294SS..Hα-helixtrans-71.4-42.5174.4-178.1176.161.800109.8S60 P62 D94 D98 S99 N100S60-M96 VanDerWaalsContact O-CE 3.24Å; S60-M96 WeakPolarHBondContact O-CE 2.96Å; P62-M96 HydrophobicContact CG-SD 4.07Å; D94-M96 VanDerWaalsContact C-N 3.34Å; D94-M96 PolarHBondContact O-N 2.92Å; D94-M96 WeakPolarHBondContact OD1-CA 3Å; D94-M96 VanDerWaalsContact OD1-CB 3.23Å; D94-M96 WeakPolarHBondContact OD1-CB 3.45Å; D94-M96 PolarHBondContact OD1-N 2.87Å; M96-D98 VanDerWaalsContact C-N 3.35Å; M96-D98 PolarHBondContact O-N 3.18Å; M96-S99 WeakPolarHBondContact O-CB 3.09Å; M96-S99 PolarHBondContact O-N 3.44Å; M96-N100 WeakPolarHBondContact O-CB 3.26Å; M96-N100 PolarHBondContact O-N 3.19Å
97I96.8Very high96.3Very high1 Ų149.6 Ų49.61%0.00527%0.271CS..Hα-helixtrans-60.5-45.5175.8-53.8-52.4000110.3L59 Y91 D94 S99 N100 F101L59-I97 VanDerWaalsContact C-CD1 3.49Å; L59-I97 HydrophobicContact CB-CD1 4.01Å; L59-I97 HydrophobicContact CB-CG2 4.39Å; L59-I97 HydrophobicContact CD1-CG2 4.3Å; L59-I97 WeakPolarHBondContact O-CD1 3.29Å; Y91-I97 HydrophobicContact CE1-CD1 3.98Å; Y91-I97 HydrophobicContact CE1-CG1 4.16Å; Y91-I97 HydrophobicContact CE1-CG2 4.3Å; Y91-I97 HydrophobicContact CE2-CD1 3.92Å; Y91-I97 HydrophobicContact CE2-CG1 4.32Å; Y91-I97 WeakPolarHBondContact O-CG1 3.28Å; Y91-I97 WeakPolarHBondContact OH-CD1 3.5Å; D94-I97 HydrophobicContact CB-CB 4.29Å; D94-I97 HydrophobicContact CB-CG1 3.8Å; D94-I97 WeakPolarHBondContact O-CB 3.35Å; D94-I97 PolarHBondContact O-N 3.34Å; D94-I97 PolarHBondContact OD1-N 2.66Å; I97-S99 VanDerWaalsContact C-N 3.33Å; I97-S99 PolarHBondContact O-N 2.88Å; I97-N100 WeakPolarHBondContact O-CB 3.29Å; I97-N100 PolarHBondContact O-N 3.36Å; I97-N100 VanDerWaalsContact O-N 3.14Å; I97-F101 HydrophobicContact CG2-CD2 3.78Å; I97-F101 HydrophobicContact CG2-CE2 3.55Å; I97-F101 VanDerWaalsContact O-CD2 3.23Å; I97-F101 WeakPolarHBondContact O-CD2 3.42Å; I97-F101 PolarHBondContact O-N 2.64Å
98D96.4Very high96.5Very high20 Ų2055 Ų5511%0.10730%0.296CS..Hα-helixtrans-58.5-41.2174.7-171.764.9000113.1D94 M96 N100 F101 S102 R129 H130D94-D98 PolarHBondContact O-N 3.13Å; M96-D98 VanDerWaalsContact C-N 3.35Å; M96-D98 PolarHBondContact O-N 3.18Å; D98-N100 VanDerWaalsContact C-N 3.32Å; D98-N100 PolarHBondContact O-N 2.85Å; D98-F101 PolarHBondContact O-N 2.84Å; D98-S102 PolarHBondContact O-N 2.99Å; D98-S102 PolarHBondContact O-OG 2.87Å; D98-R129 VanDerWaalsContact OD1-CD 3.3Å; D98-R129 WeakPolarHBondContact OD1-CD 3.42Å; D98-R129 IonicContact OD1-CZ 2.84Å; D98-R129 IonicContact OD1-NE 3.6Å; D98-R129 PolarHBondContact OD1-NE 2.98Å; D98-R129 IonicContact OD2-CZ 3.01Å; D98-R129 VanDerWaalsContact OD2-CZ 3.23Å; D98-R129 IonicContact OD2-NE 2.82Å; D98-R129 PolarHBondContact OD2-NE 3.26Å; D98-R129 IonicContact OD2-NH2 3.6Å; D98-R129 PolarHBondContact OD2-NH2 3.34Å; D98-H130 PolarHBondContact O-CE1 3.27Å; D98-H130 IonicContact OD1-CD2 3.37Å; D98-H130 IonicContact OD1-CE1 3.7Å; D98-H130 PolarHBondContact OD1-CE1 2.71Å; D98-H130 IonicContact OD1-NE2 2.64Å; D98-H130 PolarHBondContact OD1-NE2 2.84Å
99S96.7Very high96.6Very high72 Ų7250.5 Ų50.550%0.50327%0.271SS..Hα-helixtrans-65.2-38.7176.2-59.70000111.6S95 M96 I97 S102 A103S95-S99 PolarHBondContact O-N 3.41Å; S95-S99 VanDerWaalsContact O-N 3.08Å; S95-S99 PolarHBondContact O-OG 3.17Å; M96-S99 WeakPolarHBondContact O-CB 3.09Å; M96-S99 PolarHBondContact O-N 3.44Å; I97-S99 VanDerWaalsContact C-N 3.33Å; I97-S99 PolarHBondContact O-N 2.88Å; S99-S102 VanDerWaalsContact O-CB 3.27Å; S99-S102 WeakPolarHBondContact O-CB 3.45Å; S99-S102 PolarHBondContact O-N 2.93Å; S99-A103 PolarHBondContact O-N 2.83Å
100N97.7Very high96.8Very high11 Ų1150.6 Ų50.66%0.05927%0.272CS..Hα-helixtrans-70.6-35.8178.1-87.2-10.8000112.6L59 D61 L64 M96 I97 D98 S102 A103 I104L59-N100 PolarHBondContact O-ND2 3.22Å; D61-N100 PolarHBondContact O-ND2 3.17Å; L64-N100 HydrophobicContact CD2-CB 3.55Å; M96-N100 WeakPolarHBondContact O-CB 3.26Å; M96-N100 PolarHBondContact O-N 3.19Å; I97-N100 WeakPolarHBondContact O-CB 3.29Å; I97-N100 PolarHBondContact O-N 3.36Å; I97-N100 VanDerWaalsContact O-N 3.14Å; D98-N100 VanDerWaalsContact C-N 3.32Å; D98-N100 PolarHBondContact O-N 2.85Å; N100-S102 VanDerWaalsContact C-N 3.32Å; N100-S102 PolarHBondContact O-N 2.56Å; N100-A103 WeakPolarHBondContact O-CB 3.34Å; N100-A103 PolarHBondContact O-N 3Å; N100-I104 WeakPolarHBondContact O-CG1 3.33Å; N100-I104 PolarHBondContact O-N 2.96Å
101F97.8Very high96.9Very high0 Ų045.9 Ų45.90%025%0.246CC..Hα-helixtrans-62.5-37.7167.9-83.5-68.6000112.9L59 I97 D98 A103 I104 E105 F111 L126 L133L59-F101 HydrophobicContact CD1-CE1 4.49Å; L59-F101 HydrophobicContact CD1-CE2 3.72Å; L59-F101 HydrophobicContact CD1-CZ 3.58Å; L59-F101 HydrophobicContact CD2-CE1 4.34Å; L59-F101 HydrophobicContact CD2-CE2 4.17Å; L59-F101 HydrophobicContact CD2-CZ 4.09Å; I97-F101 HydrophobicContact CG2-CD2 3.78Å; I97-F101 HydrophobicContact CG2-CE2 3.55Å; I97-F101 VanDerWaalsContact O-CD2 3.23Å; I97-F101 WeakPolarHBondContact O-CD2 3.42Å; I97-F101 PolarHBondContact O-N 2.64Å; D98-F101 PolarHBondContact O-N 2.84Å; F101-A103 VanDerWaalsContact C-N 3.27Å; F101-A103 PolarHBondContact O-N 3.18Å; F101-I104 HydrophobicContact CD1-CD1 4.33Å; F101-I104 PolarHBondContact O-N 3.12Å; F101-E105 PolarHBondContact O-N 2.64Å; F101-F111 HydrophobicContact CD1-CG 4.42Å; F101-F111 HydrophobicContact CE1-CB 4.29Å; F101-F111 AromaticContact CE1-CD1 3.5Å; F101-F111 HydrophobicContact CE1-CD1 3.5Å; F101-F111 VanDerWaalsContact CE1-CD1 3.5Å; F101-F111 AromaticContact CE1-CD2 3.9Å; F101-F111 HydrophobicContact CE1-CD2 3.9Å; F101-F111 AromaticContact CE1-CE1 3.64Å; F101-F111 HydrophobicContact CE1-CE1 3.64Å; F101-F111 HydrophobicContact CE1-CE2 4.03Å; F101-F111 AromaticContact CE1-CG 3.61Å; F101-F111 HydrophobicContact CE1-CG 3.61Å; F101-F111 AromaticContact CE1-CZ 3.91Å; F101-F111 HydrophobicContact CE1-CZ 3.91Å; F101-F111 HydrophobicContact CZ-CD1 4.03Å; F101-F111 AromaticContact CZ-CE1 3.71Å; F101-F111 HydrophobicContact CZ-CE1 3.71Å; F101-F111 HydrophobicContact CZ-CE2 4.45Å; F101-F111 HydrophobicContact CZ-CG 4.5Å; F101-F111 AromaticContact CZ-CZ 3.95Å; F101-F111 HydrophobicContact CZ-CZ 3.95Å; F101-L126 HydrophobicContact CB-CD2 4Å; F101-L126 HydrophobicContact CD1-CD2 3.65Å; F101-L126 HydrophobicContact CD2-CD1 4.07Å; F101-L126 HydrophobicContact CD2-CD2 3.36Å; F101-L126 HydrophobicContact CD2-CG 4.13Å; F101-L126 HydrophobicContact CE1-CD1 4.4Å; F101-L126 HydrophobicContact CE1-CD2 3.84Å; F101-L126 HydrophobicContact CE2-CD1 3.46Å; F101-L126 VanDerWaalsContact CE2-CD1 3.46Å; F101-L126 HydrophobicContact CE2-CD2 3.6Å; F101-L126 HydrophobicContact CE2-CG 4.03Å; F101-L126 HydrophobicContact CG-CD2 3.39Å; F101-L126 HydrophobicContact CZ-CD1 3.65Å; F101-L126 HydrophobicContact CZ-CD2 3.82Å; F101-L126 HydrophobicContact CZ-CG 4.37Å; F101-L133 HydrophobicContact CB-CD2 4.44Å; F101-L133 HydrophobicContact CD1-CD2 3.58Å; F101-L133 HydrophobicContact CE1-CD2 4.29Å; F101-L133 HydrophobicContact CG-CD2 4.44Å
102S97.3Very high97Very high51 Ų5144 Ų4436%0.35724%0.239SC..Hα-helixtrans-60.3-38.1174.1-53.10000111.9D98 S99 N100 E105 H106 H130D98-S102 PolarHBondContact O-N 2.99Å; D98-S102 PolarHBondContact O-OG 2.87Å; S99-S102 VanDerWaalsContact O-CB 3.27Å; S99-S102 WeakPolarHBondContact O-CB 3.45Å; S99-S102 PolarHBondContact O-N 2.93Å; N100-S102 VanDerWaalsContact C-N 3.32Å; N100-S102 PolarHBondContact O-N 2.56Å; S102-E105 PolarHBondContact O-N 2.78Å; S102-H106 WeakPolarHBondContact O-CB 3.21Å; S102-H106 PolarHBondContact O-N 3.02Å; S102-H130 PolarHBondContact OG-CE1 3.16Å; S102-H130 VanDerWaalsContact OG-CE1 3.31Å
103A97.4Very high97Very high19 Ų1943.9 Ų43.916%0.15724%0.239CC..Hα-helixtrans-66.7-37.7176.900000112.3S99 N100 F101 Q107S99-A103 PolarHBondContact O-N 2.83Å; N100-A103 WeakPolarHBondContact O-CB 3.34Å; N100-A103 PolarHBondContact O-N 3Å; F101-A103 VanDerWaalsContact C-N 3.27Å; F101-A103 PolarHBondContact O-N 3.18Å; A103-Q107 PolarHBondContact O-N 3.45Å
104I97.9Very high96.9Very high0 Ų040.7 Ų40.70%022%0.222CC..Hα-helixtrans-67.4-45.3175-60.7165.1000110.3L59 L64 V68 L80 N100 F101 H106 Q107 Q108 L109 F111 L133L59-I104 HydrophobicContact CD2-CD1 3.89Å; L64-I104 HydrophobicContact CD2-CD1 4.16Å; L64-I104 HydrophobicContact CD2-CG1 4.44Å; V68-I104 HydrophobicContact CG2-CG1 4.11Å; L80-I104 HydrophobicContact CD1-CD1 4.34Å; L80-I104 HydrophobicContact CD1-CG1 4.01Å; L80-I104 HydrophobicContact CD1-CG2 4.36Å; N100-I104 WeakPolarHBondContact O-CG1 3.33Å; N100-I104 PolarHBondContact O-N 2.96Å; F101-I104 HydrophobicContact CD1-CD1 4.33Å; F101-I104 PolarHBondContact O-N 3.12Å; I104-H106 VanDerWaalsContact C-N 3.3Å; I104-H106 PolarHBondContact O-N 3.38Å; I104-Q107 PolarHBondContact O-N 2.94Å; I104-Q108 PolarHBondContact O-N 3.26Å; I104-L109 HydrophobicContact CG2-CB 4.08Å; I104-L109 PolarHBondContact O-N 2.9Å; I104-F111 HydrophobicContact CD1-CD2 3.79Å; I104-F111 HydrophobicContact CD1-CE2 4.01Å; I104-L133 HydrophobicContact CG2-CD1 3.92Å
105E97.6Very high96.8Very high45 Ų4537.3 Ų37.321%0.2120%0.204CC..Hα-helixtrans-57.5-43.5175.9-172.1-179.1-111.200111.4F101 S102 Q107 Q108 H130 K132 L133F101-E105 PolarHBondContact O-N 2.64Å; S102-E105 PolarHBondContact O-N 2.78Å; E105-Q107 VanDerWaalsContact C-N 3.27Å; E105-Q107 PolarHBondContact O-N 2.89Å; E105-Q108 WeakPolarHBondContact O-CA 3.43Å; E105-Q108 PolarHBondContact O-N 3.32Å; E105-H130 VanDerWaalsContact OE1-CA 3.29Å; E105-H130 WeakPolarHBondContact OE1-CA 3.34Å; E105-K132 HydrophobicContact CG-CB 3.96Å; E105-K132 WeakPolarHBondContact OE1-CA 3.47Å; E105-K132 WeakPolarHBondContact OE1-CB 3.42Å; E105-K132 PolarHBondContact OE1-N 3.37Å; E105-L133 HydrophobicContact CB-CB 4.02Å; E105-L133 HydrophobicContact CB-CD1 4.46Å; E105-L133 HydrophobicContact CG-CB 3.96Å; E105-L133 PolarHBondContact OE1-N 3.12Å
106H97.2Very high96.6Very high144 Ų14433.1 Ų33.167%0.66718%0.175SC*.Hα-helixtrans-60-36.4179.2-179.2-86.6000112.8S102 I104 Q108S102-H106 WeakPolarHBondContact O-CB 3.21Å; S102-H106 PolarHBondContact O-N 3.02Å; I104-H106 VanDerWaalsContact C-N 3.3Å; I104-H106 PolarHBondContact O-N 3.38Å; H106-Q108 PolarHBondContact O-N 3.19Å
107Q96.6Very high96.3Very high57 Ų5731 Ų3127%0.26617%0.167SC..THydrogen-bonded Turntrans-82.72.3176.2-60.4-61.1-12.200113.3V68 A103 I104 E105 L109V68-Q107 HydrophobicContact CG1-CB 3.88Å; V68-Q107 HydrophobicContact CG1-CG 3.63Å; A103-Q107 PolarHBondContact O-N 3.45Å; I104-Q107 PolarHBondContact O-N 2.94Å; E105-Q107 VanDerWaalsContact C-N 3.27Å; E105-Q107 PolarHBondContact O-N 2.89Å; Q107-L109 HydrophobicContact CB-CD1 4.31Å; Q107-L109 HydrophobicContact CB-CG 4.3Å; Q107-L109 PolarHBondContact O-N 2.87Å; Q107-L109 VanDerWaalsContact O-N 3.12Å
108Q95.9Very high96Very high177 Ų17735.6 Ų35.683%0.82719%0.188SC*.THydrogen-bonded Turntrans57.125.3178.9-53.4179.416.800113.8I104 E105 H106I104-Q108 PolarHBondContact O-N 3.26Å; E105-Q108 WeakPolarHBondContact O-CA 3.43Å; E105-Q108 PolarHBondContact O-N 3.32Å; H106-Q108 PolarHBondContact O-N 3.19Å
109L97.2Very high95.9Very high15 Ų1534.6 Ų34.68%0.07918%0.183CC..  trans-79.8146.8174-70.9172.8000109.9V68 L77 L80 I104 Q107 L133V68-L109 HydrophobicContact CG1-CD1 3.71Å; L77-L109 HydrophobicContact CD2-CD1 3.77Å; L77-L109 HydrophobicContact CD2-CD2 3.96Å; L77-L109 HydrophobicContact CG-CD2 4.02Å; L80-L109 HydrophobicContact CD1-CD1 3.98Å; L80-L109 HydrophobicContact CG-CD1 4.2Å; I104-L109 HydrophobicContact CG2-CB 4.08Å; I104-L109 PolarHBondContact O-N 2.9Å; Q107-L109 HydrophobicContact CB-CD1 4.31Å; Q107-L109 HydrophobicContact CB-CG 4.3Å; Q107-L109 PolarHBondContact O-N 2.87Å; Q107-L109 VanDerWaalsContact O-N 3.12Å; L109-L133 WeakPolarHBondContact O-CD1 2.94Å
110V98.4Very high95.9Very high4 Ų431.2 Ų31.22%0.02416%0.159CC..EExtended strand (participates in β ladder)trans-74.2143.3170.2-178.10000109V78 G79 L80 K134 V136 V306 Y307V78-V110 PolarHBondContact O-N 3.27Å; G79-V110 CarbonylContact C-O 3.57Å; G79-V110 WeakPolarHBondContact CA-O 3.48Å; L80-V110 PolarHBondContact N-O 2.88Å; V110-K134 HydrophobicContact CG1-CB 4.29Å; V110-K134 WeakPolarHBondContact CG1-O 3.41Å; V110-K134 HydrophobicContact CG2-CB 4.22Å; V110-K134 HydrophobicContact CG2-CD 4.32Å; V110-V136 HydrophobicContact CG1-CB 4.33Å; V110-V136 HydrophobicContact CG1-CG2 3.47Å; V110-V136 VanDerWaalsContact CG1-CG2 3.47Å; V110-V306 HydrophobicContact CG1-CG1 4.19Å; V110-V306 HydrophobicContact CG2-CG1 4.09Å; V110-V306 WeakPolarHBondContact CG2-O 3.06Å; V110-Y307 HydrophobicContact CB-CD1 3.78Å; V110-Y307 HydrophobicContact CB-CE1 3.74Å; V110-Y307 HydrophobicContact CG1-CD1 3.98Å; V110-Y307 HydrophobicContact CG1-CE1 3.47Å; V110-Y307 VanDerWaalsContact CG1-CE1 3.47Å; V110-Y307 HydrophobicContact CG2-CD1 3.68Å; V110-Y307 HydrophobicContact CG2-CE1 4.09Å; V110-Y307 HydrophobicContact CG2-CG 4.48Å
111F98.4Very high95.8Very high1 Ų137.7 Ų37.70%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-106.8117.4167.6-165.8-95.3000111.2L59 L80 F101 I104 L113 L133 K134 L135 V136L59-F111 HydrophobicContact CD1-CE1 4.43Å; L59-F111 HydrophobicContact CD1-CE2 4.36Å; L59-F111 HydrophobicContact CD1-CZ 3.71Å; L59-F111 HydrophobicContact CD2-CE2 3.93Å; L59-F111 HydrophobicContact CD2-CZ 4.12Å; L59-F111 HydrophobicContact CG-CE2 4.35Å; L59-F111 HydrophobicContact CG-CZ 4.14Å; L80-F111 HydrophobicContact CB-CD2 4.18Å; L80-F111 HydrophobicContact CB-CE2 4.44Å; L80-F111 WeakPolarHBondContact O-CA 3.39Å; L80-F111 WeakPolarHBondContact O-CD2 3.47Å; F101-F111 HydrophobicContact CD1-CG 4.42Å; F101-F111 HydrophobicContact CE1-CB 4.29Å; F101-F111 AromaticContact CE1-CD1 3.5Å; F101-F111 HydrophobicContact CE1-CD1 3.5Å; F101-F111 VanDerWaalsContact CE1-CD1 3.5Å; F101-F111 AromaticContact CE1-CD2 3.9Å; F101-F111 HydrophobicContact CE1-CD2 3.9Å; F101-F111 AromaticContact CE1-CE1 3.64Å; F101-F111 HydrophobicContact CE1-CE1 3.64Å; F101-F111 HydrophobicContact CE1-CE2 4.03Å; F101-F111 AromaticContact CE1-CG 3.61Å; F101-F111 HydrophobicContact CE1-CG 3.61Å; F101-F111 AromaticContact CE1-CZ 3.91Å; F101-F111 HydrophobicContact CE1-CZ 3.91Å; F101-F111 HydrophobicContact CZ-CD1 4.03Å; F101-F111 AromaticContact CZ-CE1 3.71Å; F101-F111 HydrophobicContact CZ-CE1 3.71Å; F101-F111 HydrophobicContact CZ-CE2 4.45Å; F101-F111 HydrophobicContact CZ-CG 4.5Å; F101-F111 AromaticContact CZ-CZ 3.95Å; F101-F111 HydrophobicContact CZ-CZ 3.95Å; I104-F111 HydrophobicContact CD1-CD2 3.79Å; I104-F111 HydrophobicContact CD1-CE2 4.01Å; F111-L113 HydrophobicContact CD1-CB 4.25Å; F111-L113 HydrophobicContact CD1-CD1 4.19Å; F111-L113 HydrophobicContact CE1-CD1 3.92Å; F111-L113 PolarHBondContact O-N 3.27Å; F111-L133 HydrophobicContact CB-CD1 4.27Å; F111-L133 HydrophobicContact CB-CD2 4.28Å; F111-K134 PolarHBondContact N-O 2.81Å; F111-L135 HydrophobicContact CB-CD2 4.03Å; F111-L135 HydrophobicContact CD1-CD2 4.35Å; F111-L135 WeakPolarHBondContact O-CA 3.5Å; F111-V136 PolarHBondContact O-N 3.43Å
112D98Very high95.8Very high0 Ų039.9 Ų39.90%019%0.193CC..EExtended strand (participates in β ladder)trans-78.3101.5171.8-102.352.1000108.9I54 L80 R81 A114 N138 K175 Y307I54-D112 HydrophobicContact CG2-CB 3.92Å; L80-D112 PolarHBondContact O-N 2.88Å; R81-D112 HydrophobicContact CB-CB 3.8Å; R81-D112 HydrophobicContact CG-CB 4.09Å; D112-A114 PolarHBondContact O-N 3.03Å; D112-N138 PolarHBondContact OD2-ND2 3.02Å; D112-K175 IonicContact OD1-NZ 3.94Å; D112-K175 IonicContact OD2-NZ 2.64Å; D112-K175 PolarHBondContact OD2-NZ 3.41Å; D112-Y307 WeakPolarHBondContact OD1-CE1 3.4Å; D112-Y307 PolarHBondContact OD1-OH 2.92Å
113L96.6Very high95.8Very high2 Ų237.5 Ų37.51%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-83.996.4-173.5-173.163.2000110.2F111 I115 A123 V136 N138F111-L113 HydrophobicContact CD1-CB 4.25Å; F111-L113 HydrophobicContact CD1-CD1 4.19Å; F111-L113 HydrophobicContact CE1-CD1 3.92Å; F111-L113 PolarHBondContact O-N 3.27Å; L113-I115 HydrophobicContact CD1-CG2 3.53Å; L113-I115 HydrophobicContact CD2-CD1 3.84Å; L113-I115 HydrophobicContact CD2-CG1 4.41Å; L113-I115 HydrophobicContact CD2-CG2 4.44Å; L113-I115 HydrophobicContact CG-CB 4.48Å; L113-I115 HydrophobicContact CG-CD1 4.05Å; L113-I115 HydrophobicContact CG-CG1 4.08Å; L113-I115 HydrophobicContact CG-CG2 3.68Å; L113-A123 HydrophobicContact CD2-CB 3.67Å; L113-V136 PolarHBondContact N-O 2.75Å; L113-N138 WeakPolarHBondContact O-CB 3.46Å; L113-N138 PolarHBondContact O-N 3.21Å
114A94.3Very high95.9Very high4 Ų436.9 Ų36.93%0.03317%0.17CC..EExtended strand (participates in β ladder)trans-9393.9175.500000110.4R81 D83 V84 S85 D112 N138R81-A114 HydrophobicContact CG-CB 4.23Å; R81-A114 VanDerWaalsContact NH2-CB 3.33Å; D83-A114 HydrophobicContact CB-CB 4.25Å; V84-A114 PolarHBondContact N-O 3.26Å; S85-A114 PolarHBondContact N-O 3.41Å; D112-A114 PolarHBondContact O-N 3.03Å; A114-N138 HydrophobicContact CB-CB 4.4Å
115I93.6Very high95.8Very high1 Ų140.2 Ų40.21%0.00519%0.186CC..  trans-132.5160-174.361.3169.3000111.3V84 L92 L113 Q119 L120 A123 L137V84-I115 HydrophobicContact CG2-CG2 3.73Å; L92-I115 HydrophobicContact CD1-CG2 4.01Å; L113-I115 HydrophobicContact CD1-CG2 3.53Å; L113-I115 HydrophobicContact CD2-CD1 3.84Å; L113-I115 HydrophobicContact CD2-CG1 4.41Å; L113-I115 HydrophobicContact CD2-CG2 4.44Å; L113-I115 HydrophobicContact CG-CB 4.48Å; L113-I115 HydrophobicContact CG-CD1 4.05Å; L113-I115 HydrophobicContact CG-CG1 4.08Å; L113-I115 HydrophobicContact CG-CG2 3.68Å; I115-Q119 VanDerWaalsContact CA-OE1 3.29Å; I115-Q119 HydrophobicContact CB-CB 3.94Å; I115-Q119 VanDerWaalsContact CB-OE1 3.27Å; I115-Q119 HydrophobicContact CD1-CB 4.22Å; I115-Q119 HydrophobicContact CG2-CB 4.4Å; I115-L120 HydrophobicContact CD1-CD2 4.11Å; I115-A123 HydrophobicContact CD1-CB 3.68Å; I115-L137 HydrophobicContact CD1-CD1 3.68Å; I115-L137 HydrophobicContact CG1-CD1 3.57Å
116G90.3Very high95.7Very high2 Ų238.1 Ų38.12%0.02118%0.176CC..  trans-87.3172.1172.400000113.6H118 Q119G116-H118 VanDerWaalsContact C-N 3.3Å; G116-H118 PolarHBondContact O-N 2.98Å; G116-Q119 WeakPolarHBondContact O-CB 3.37Å; G116-Q119 PolarHBondContact O-N 3.41Å
117P90.2Very high95.8Very high26 Ų2631.3 Ų31.317%0.16915%0.145CC..G310 helixtrans-64.1-32.5-177.723.7-31.6000112.6Q119 L120 L142 V144P117-Q119 PolarHBondContact O-N 3.39Å; P117-L120 PolarHBondContact O-N 2.86Å; P117-L142 WeakPolarHBondContact CD-O 3.4Å; P117-V144 HydrophobicContact CB-CG2 4.26Å; P117-V144 HydrophobicContact CG-CG1 4.29Å; P117-V144 HydrophobicContact CG-CG2 3.75Å
118H90.7Very high95.8Very high96 Ų9636.8 Ų36.844%0.44416%0.164SC..G310 helixtrans-66.7-16.5175.558.9-66000113.6S85 M87 G116 H122S85-H118 PolarHBondContact O-CE1 3.16Å; M87-H118 PolarHBondContact O-NE2 3.05Å; G116-H118 VanDerWaalsContact C-N 3.3Å; G116-H118 PolarHBondContact O-N 2.98Å; H118-H122 PolarHBondContact O-CE1 2.85Å; H118-H122 PolarHBondContact O-ND1 3.27Å
119Q94.8Very high95.9Very high0 Ų034.4 Ų34.40%015%0.148CC..G310 helixtrans-99.2-5.5-175.7-60.2175.9-50.300112.9V84 M87 D88 L92 I115 G116 P117 R121 H122 A123V84-Q119 PolarHBondContact O-NE2 2.86Å; V84-Q119 PolarHBondContact O-OE1 3.36Å; M87-Q119 PolarHBondContact O-NE2 3.21Å; M87-Q119 VanDerWaalsContact O-NE2 3.08Å; D88-Q119 PolarHBondContact O-NE2 2.85Å; L92-Q119 HydrophobicContact CD1-CB 4.24Å; I115-Q119 VanDerWaalsContact CA-OE1 3.29Å; I115-Q119 HydrophobicContact CB-CB 3.94Å; I115-Q119 VanDerWaalsContact CB-OE1 3.27Å; I115-Q119 HydrophobicContact CD1-CB 4.22Å; I115-Q119 HydrophobicContact CG2-CB 4.4Å; G116-Q119 WeakPolarHBondContact O-CB 3.37Å; G116-Q119 PolarHBondContact O-N 3.41Å; P117-Q119 PolarHBondContact O-N 3.39Å; Q119-R121 VanDerWaalsContact C-N 3.29Å; Q119-R121 PolarHBondContact O-N 2.83Å; Q119-H122 CarbonylContact O-C 3.5Å; Q119-H122 WeakPolarHBondContact O-CA 3.5Å; Q119-H122 WeakPolarHBondContact O-CB 3.36Å; Q119-H122 PolarHBondContact O-N 3.37Å; Q119-A123 PolarHBondContact O-N 3.36Å
120L96.2Very high96Very high0 Ų033.9 Ų33.90%015%0.145CC..Hα-helixtrans-57.8-37.8-176.7-72.4176.3000113.5I115 P117 A123 C124 L137 W159 D162 L163 L166I115-L120 HydrophobicContact CD1-CD2 4.11Å; P117-L120 PolarHBondContact O-N 2.86Å; L120-A123 WeakPolarHBondContact O-CB 3.4Å; L120-A123 PolarHBondContact O-N 3.46Å; L120-C124 PolarHBondContact O-N 3.19Å; L120-C124 PolarHBondContact O-SG 3.41Å; L120-C124 VanDerWaalsContact O-SG 3.37Å; L120-L137 HydrophobicContact CD2-CD1 4.05Å; L120-L137 HydrophobicContact CD2-CD2 3.98Å; L120-W159 VanDerWaalsContact CD1-CD1 3.5Å; L120-W159 HydrophobicContact CD1-CG 4.3Å; L120-D162 HydrophobicContact CB-CB 3.77Å; L120-D162 HydrophobicContact CD1-CB 4.04Å; L120-L163 HydrophobicContact CD1-CB 4.28Å; L120-L163 HydrophobicContact CD1-CD1 4.49Å; L120-L163 HydrophobicContact CD2-CD1 4.25Å; L120-L166 HydrophobicContact CD2-CD2 3.79Å
121R96.4Very high95.9Very high148 Ų14837.8 Ų37.856%0.55817%0.17SC*.Hα-helixtrans-70.2-37.2173.8-66.6-171.3179.9-164-1.9112.8Q119 A123 C124 D162Q119-R121 VanDerWaalsContact C-N 3.29Å; Q119-R121 PolarHBondContact O-N 2.83Å; R121-A123 VanDerWaalsContact C-N 3.29Å; R121-A123 PolarHBondContact O-N 2.98Å; R121-C124 WeakPolarHBondContact O-CB 3.34Å; R121-C124 PolarHBondContact O-N 2.85Å; R121-C124 VanDerWaalsContact O-N 3.13Å; R121-D162 HydrophobicContact CG-CB 4.24Å; R121-D162 IonicContact CZ-OD1 2.83Å; R121-D162 VanDerWaalsContact CZ-OD1 3.22Å; R121-D162 VanDerWaalsContact NE-CG 3.3Å; R121-D162 IonicContact NE-OD1 3.75Å; R121-D162 PolarHBondContact NE-OD1 2.81Å; R121-D162 IonicContact NE-OD2 3.22Å; R121-D162 PolarHBondContact NE-OD2 3.28Å; R121-D162 IonicContact NH2-OD1 2.72Å; R121-D162 PolarHBondContact NH2-OD1 2.87Å
122H97.3Very high95.9Very high46 Ų4646.1 Ų46.121%0.21321%0.206CC..Hα-helixtrans-64.8-37.2175.5-55.586.5000110.5G89 D90 L92 H118 Q119 C124 H125 L126G89-H122 PolarHBondContact O-CD2 3.14Å; G89-H122 VanDerWaalsContact O-CD2 3.26Å; D90-H122 IonicContact OD1-NE2 3.81Å; L92-H122 HydrophobicContact CB-CB 4.2Å; L92-H122 HydrophobicContact CD1-CB 4.09Å; H118-H122 PolarHBondContact O-CE1 2.85Å; H118-H122 PolarHBondContact O-ND1 3.27Å; Q119-H122 CarbonylContact O-C 3.5Å; Q119-H122 WeakPolarHBondContact O-CA 3.5Å; Q119-H122 WeakPolarHBondContact O-CB 3.36Å; Q119-H122 PolarHBondContact O-N 3.37Å; H122-C124 PolarHBondContact O-N 3.42Å; H122-H125 WeakPolarHBondContact O-CB 3.48Å; H122-H125 PolarHBondContact O-N 2.74Å; H122-L126 PolarHBondContact O-N 3.11Å
123A97.5Very high95.9Very high0 Ų046.2 Ų46.20%021%0.207CC..Hα-helixtrans-61.5-27.717300000113.8L113 I115 Q119 L120 R121 H125 L126 A127 L166L113-A123 HydrophobicContact CD2-CB 3.67Å; I115-A123 HydrophobicContact CD1-CB 3.68Å; Q119-A123 PolarHBondContact O-N 3.36Å; L120-A123 WeakPolarHBondContact O-CB 3.4Å; L120-A123 PolarHBondContact O-N 3.46Å; R121-A123 VanDerWaalsContact C-N 3.29Å; R121-A123 PolarHBondContact O-N 2.98Å; A123-H125 VanDerWaalsContact C-N 3.26Å; A123-H125 PolarHBondContact O-N 2.72Å; A123-L126 WeakPolarHBondContact O-CB 3.15Å; A123-L126 PolarHBondContact O-N 2.98Å; A123-A127 WeakPolarHBondContact O-CB 3.46Å; A123-A127 PolarHBondContact O-N 3.42Å; A123-L166 HydrophobicContact CB-CD1 3.92Å; A123-L166 HydrophobicContact CB-CD2 4.06Å
124C98.1Very high96Very high7 Ų748.6 Ų48.65%0.04722%0.217CC..Hα-helixtrans-63.9-34.8173.6-61.20000111.5L120 R121 H122 A127 Y128 Y169L120-C124 PolarHBondContact O-N 3.19Å; L120-C124 PolarHBondContact O-SG 3.41Å; L120-C124 VanDerWaalsContact O-SG 3.37Å; R121-C124 WeakPolarHBondContact O-CB 3.34Å; R121-C124 PolarHBondContact O-N 2.85Å; R121-C124 VanDerWaalsContact O-N 3.13Å; H122-C124 PolarHBondContact O-N 3.42Å; C124-A127 PolarHBondContact O-N 2.98Å; C124-Y128 WeakPolarHBondContact O-CB 3.48Å; C124-Y128 PolarHBondContact O-N 2.96Å; C124-Y169 HydrophobicContact CB-CD2 4.4Å; C124-Y169 HydrophobicContact CB-CE2 3.55Å
125H96.3Very high96.2Very high69 Ų6948.4 Ų48.432%0.31922%0.215SC..Hα-helixtrans-63-47174.5-175.879.5000111L93 H122 A123 Y128 R129L93-H125 HydrophobicContact CD2-CB 3.66Å; L93-H125 VanDerWaalsContact CD2-CD2 3.46Å; L93-H125 WeakPolarHBondContact CD2-CD2 3.32Å; H122-H125 WeakPolarHBondContact O-CB 3.48Å; H122-H125 PolarHBondContact O-N 2.74Å; A123-H125 VanDerWaalsContact C-N 3.26Å; A123-H125 PolarHBondContact O-N 2.72Å; H125-Y128 WeakPolarHBondContact O-CB 3.24Å; H125-Y128 PolarHBondContact O-N 3.4Å; H125-R129 WeakPolarHBondContact NE2-CD 3.5Å; H125-R129 WeakPolarHBondContact O-CG 3.47Å; H125-R129 PolarHBondContact O-N 3.15Å
126L96.3Very high96.5Very high1 Ų148.4 Ų48.41%0.00522%0.215CC..Hα-helixtrans-57.7-49.7175.4-114.2159.3000112L92 F101 H122 A123 Y128 R129 H130 L135L92-L126 HydrophobicContact CB-CD1 4.08Å; L92-L126 HydrophobicContact CD1-CD1 4.35Å; L92-L126 HydrophobicContact CD2-CD1 3.77Å; L92-L126 HydrophobicContact CG-CD1 4.29Å; F101-L126 HydrophobicContact CB-CD2 4Å; F101-L126 HydrophobicContact CD1-CD2 3.65Å; F101-L126 HydrophobicContact CD2-CD1 4.07Å; F101-L126 HydrophobicContact CD2-CD2 3.36Å; F101-L126 HydrophobicContact CD2-CG 4.13Å; F101-L126 HydrophobicContact CE1-CD1 4.4Å; F101-L126 HydrophobicContact CE1-CD2 3.84Å; F101-L126 HydrophobicContact CE2-CD1 3.46Å; F101-L126 VanDerWaalsContact CE2-CD1 3.46Å; F101-L126 HydrophobicContact CE2-CD2 3.6Å; F101-L126 HydrophobicContact CE2-CG 4.03Å; F101-L126 HydrophobicContact CG-CD2 3.39Å; F101-L126 HydrophobicContact CZ-CD1 3.65Å; F101-L126 HydrophobicContact CZ-CD2 3.82Å; F101-L126 HydrophobicContact CZ-CG 4.37Å; H122-L126 PolarHBondContact O-N 3.11Å; A123-L126 WeakPolarHBondContact O-CB 3.15Å; A123-L126 PolarHBondContact O-N 2.98Å; L126-Y128 VanDerWaalsContact C-N 3.27Å; L126-Y128 PolarHBondContact O-N 3.18Å; L126-R129 PolarHBondContact O-N 3.48Å; L126-H130 PolarHBondContact O-CD2 2.94Å; L126-H130 PolarHBondContact O-N 3.01Å; L126-L135 HydrophobicContact CB-CD1 4.25Å
127A98.2Very high96.8Very high1 Ų148.3 Ų48.31%0.00821%0.214CC..Hα-helixtrans-61-37.1178.900000112.5A123 C124 L135 Y169 N171 V172A123-A127 WeakPolarHBondContact O-CB 3.46Å; A123-A127 PolarHBondContact O-N 3.42Å; C124-A127 PolarHBondContact O-N 2.98Å; A127-L135 HydrophobicContact CB-CD1 3.93Å; A127-Y169 HydrophobicContact CB-CD1 3.65Å; A127-Y169 HydrophobicContact CB-CD2 4.26Å; A127-Y169 HydrophobicContact CB-CE1 4.31Å; A127-Y169 HydrophobicContact CB-CG 3.61Å; A127-N171 PolarHBondContact O-ND2 3.01Å; A127-N171 PolarHBondContact O-OD1 3.09Å; A127-V172 HydrophobicContact CB-CG2 3.46Å; A127-V172 VanDerWaalsContact CB-CG2 3.46Å
128Y98.1Very high97.1Very high172 Ų17247.3 Ų47.368%0.67521%0.207SC*.Hα-helixtrans-69-44.3176.1179.6-103.2000112.9C124 H125 L126 Y169C124-Y128 WeakPolarHBondContact O-CB 3.48Å; C124-Y128 PolarHBondContact O-N 2.96Å; H125-Y128 WeakPolarHBondContact O-CB 3.24Å; H125-Y128 PolarHBondContact O-N 3.4Å; L126-Y128 VanDerWaalsContact C-N 3.27Å; L126-Y128 PolarHBondContact O-N 3.18Å; Y128-Y169 HydrophobicContact CD2-CE1 4.43Å
129R97.5Very high97.2Very high128 Ų12844.8 Ų44.848%0.48320%0.196SC..Hα-helixtrans-74.5-32.1-175.4-73.1-170.868.298.5-2113.6D98 H125 L126 P131D98-R129 VanDerWaalsContact OD1-CD 3.3Å; D98-R129 WeakPolarHBondContact OD1-CD 3.42Å; D98-R129 IonicContact OD1-CZ 2.84Å; D98-R129 IonicContact OD1-NE 3.6Å; D98-R129 PolarHBondContact OD1-NE 2.98Å; D98-R129 IonicContact OD2-CZ 3.01Å; D98-R129 VanDerWaalsContact OD2-CZ 3.23Å; D98-R129 IonicContact OD2-NE 2.82Å; D98-R129 PolarHBondContact OD2-NE 3.26Å; D98-R129 IonicContact OD2-NH2 3.6Å; D98-R129 PolarHBondContact OD2-NH2 3.34Å; H125-R129 WeakPolarHBondContact NE2-CD 3.5Å; H125-R129 WeakPolarHBondContact O-CG 3.47Å; H125-R129 PolarHBondContact O-N 3.15Å; L126-R129 PolarHBondContact O-N 3.48Å; R129-P131 WeakPolarHBondContact O-CD 3.22Å
130H98Very high97.1Very high4 Ų444.8 Ų44.82%0.01920%0.196CC..  trans-117.266.3-177.7-54.9-78.2000110.6D98 S102 E105 L126 K132 L133 N171D98-H130 PolarHBondContact O-CE1 3.27Å; D98-H130 IonicContact OD1-CD2 3.37Å; D98-H130 IonicContact OD1-CE1 3.7Å; D98-H130 PolarHBondContact OD1-CE1 2.71Å; D98-H130 IonicContact OD1-NE2 2.64Å; D98-H130 PolarHBondContact OD1-NE2 2.84Å; S102-H130 PolarHBondContact OG-CE1 3.16Å; S102-H130 VanDerWaalsContact OG-CE1 3.31Å; E105-H130 VanDerWaalsContact OE1-CA 3.29Å; E105-H130 WeakPolarHBondContact OE1-CA 3.34Å; L126-H130 PolarHBondContact O-CD2 2.94Å; L126-H130 PolarHBondContact O-N 3.01Å; H130-K132 PolarHBondContact O-N 2.99Å; H130-K132 VanDerWaalsContact O-N 3.14Å; H130-L133 HydrophobicContact CB-CB 3.69Å; H130-L133 HydrophobicContact CB-CD2 4.18Å; H130-L133 WeakPolarHBondContact O-CB 3.49Å; H130-L133 PolarHBondContact O-N 3.46Å; H130-L133 VanDerWaalsContact O-N 3.13Å; H130-N171 PolarHBondContact O-ND2 2.84Å
131P97.8Very high96.9Very high85 Ų8544.8 Ų44.855%0.55220%0.196SC*.THydrogen-bonded Turntrans-68.3-12.7-171.929.2-36.9000113.8R129R129-P131 WeakPolarHBondContact O-CD 3.22Å
132K98.1Very high96.5Very high176 Ų17639.2 Ų39.277%0.76518%0.177SC*.THydrogen-bonded Turntrans-97.4-18.5175.7-55.8175.6-178172.50111.9E105 H130 K134E105-K132 HydrophobicContact CG-CB 3.96Å; E105-K132 WeakPolarHBondContact OE1-CA 3.47Å; E105-K132 WeakPolarHBondContact OE1-CB 3.42Å; E105-K132 PolarHBondContact OE1-N 3.37Å; H130-K132 PolarHBondContact O-N 2.99Å; H130-K132 VanDerWaalsContact O-N 3.14Å; K132-K134 PolarHBondContact O-N 3.19Å
133L98.3Very high95.9Very high2 Ų237.2 Ų37.21%0.0117%0.168CC..SBendtrans-71.4118.9173.1-178.261.1000109.7F101 I104 E105 L109 F111 H130 L135 N171F101-L133 HydrophobicContact CB-CD2 4.44Å; F101-L133 HydrophobicContact CD1-CD2 3.58Å; F101-L133 HydrophobicContact CE1-CD2 4.29Å; F101-L133 HydrophobicContact CG-CD2 4.44Å; I104-L133 HydrophobicContact CG2-CD1 3.92Å; E105-L133 HydrophobicContact CB-CB 4.02Å; E105-L133 HydrophobicContact CB-CD1 4.46Å; E105-L133 HydrophobicContact CG-CB 3.96Å; E105-L133 PolarHBondContact OE1-N 3.12Å; L109-L133 WeakPolarHBondContact O-CD1 2.94Å; F111-L133 HydrophobicContact CB-CD1 4.27Å; F111-L133 HydrophobicContact CB-CD2 4.28Å; H130-L133 HydrophobicContact CB-CB 3.69Å; H130-L133 HydrophobicContact CB-CD2 4.18Å; H130-L133 WeakPolarHBondContact O-CB 3.49Å; H130-L133 PolarHBondContact O-N 3.46Å; H130-L133 VanDerWaalsContact O-N 3.13Å; L133-L135 HydrophobicContact CD2-CD2 3.7Å; L133-L135 HydrophobicContact CD2-CG 4.48Å; L133-L135 HydrophobicContact CG-CD2 3.99Å; L133-L135 HydrophobicContact CG-CG 4.41Å; L133-L135 PolarHBondContact O-N 2.91Å; L133-N171 WeakPolarHBondContact O-CB 3.29Å; L133-N171 PolarHBondContact O-ND2 3.1Å; L133-N171 VanDerWaalsContact O-ND2 3.14Å
134K98.6Very high94.5Very high53 Ų5339.6 Ų39.623%0.2318%0.182CC..PPolyproline II helixtrans-73.4117.1168.9-62.4-179.1-167.5169.20108.3V110 F111 K132 Y173 H305 V306V110-K134 HydrophobicContact CG1-CB 4.29Å; V110-K134 WeakPolarHBondContact CG1-O 3.41Å; V110-K134 HydrophobicContact CG2-CB 4.22Å; V110-K134 HydrophobicContact CG2-CD 4.32Å; F111-K134 PolarHBondContact N-O 2.81Å; K132-K134 PolarHBondContact O-N 3.19Å; K134-Y173 HydrophobicContact CB-CE2 4.37Å; K134-Y173 HydrophobicContact CG-CE2 4.27Å; K134-H305 PolarHBondContact NZ-O 2.95Å; K134-V306 HydrophobicContact CD-CG1 4.16Å; K134-V306 WeakPolarHBondContact CD-O 3.5Å; K134-V306 PolarHBondContact NZ-O 3.49Å
135L98.7Very high92.5Very high0 Ų040.2 Ų40.20%019%0.185CC..EExtended strand (participates in β ladder)trans-101.4124.1174.6-64.9173.4000108.8F111 L126 A127 L133 N171 V172 Y173F111-L135 HydrophobicContact CB-CD2 4.03Å; F111-L135 HydrophobicContact CD1-CD2 4.35Å; F111-L135 WeakPolarHBondContact O-CA 3.5Å; L126-L135 HydrophobicContact CB-CD1 4.25Å; A127-L135 HydrophobicContact CB-CD1 3.93Å; L133-L135 HydrophobicContact CD2-CD2 3.7Å; L133-L135 HydrophobicContact CD2-CG 4.48Å; L133-L135 HydrophobicContact CG-CD2 3.99Å; L133-L135 HydrophobicContact CG-CG 4.41Å; L133-L135 PolarHBondContact O-N 2.91Å; L135-N171 PolarHBondContact N-O 3.5Å; L135-V172 HydrophobicContact CB-CG2 4.28Å; L135-V172 HydrophobicContact CD1-CG2 4.26Å; L135-V172 CarbonylContact O-C 3.5Å; L135-V172 WeakPolarHBondContact O-CA 3.46Å; L135-Y173 PolarHBondContact O-N 3.08Å
136V98.6Very high90.3Very high0 Ų042.8 Ų42.80%020%0.195CC..EExtended strand (participates in β ladder)trans-10999175.1-179.10000108.9V110 F111 L113 N138 K175 L221 V306 Y307V110-V136 HydrophobicContact CG1-CB 4.33Å; V110-V136 HydrophobicContact CG1-CG2 3.47Å; V110-V136 VanDerWaalsContact CG1-CG2 3.47Å; F111-V136 PolarHBondContact O-N 3.43Å; L113-V136 PolarHBondContact N-O 2.75Å; V136-N138 PolarHBondContact O-N 3.31Å; V136-N138 VanDerWaalsContact O-N 3.12Å; V136-N138 PolarHBondContact O-ND2 3.48Å; V136-K175 HydrophobicContact CG1-CB 4.26Å; V136-K175 HydrophobicContact CG1-CD 3.8Å; V136-K175 HydrophobicContact CG1-CG 3.58Å; V136-L221 HydrophobicContact CG1-CD1 4.43Å; V136-V306 HydrophobicContact CG2-CG1 3.74Å; V136-Y307 WeakPolarHBondContact CG1-OH 3.2Å; V136-Y307 HydrophobicContact CG2-CE1 4.41Å
137L97.9Very high87.6Confident0 Ų044.6 Ų44.60%021%0.206CC..EExtended strand (participates in β ladder)trans-59.4116.3175.1-179.267.5000109.5I115 L120 L163 L166 Y173 K175I115-L137 HydrophobicContact CD1-CD1 3.68Å; I115-L137 HydrophobicContact CG1-CD1 3.57Å; L120-L137 HydrophobicContact CD2-CD1 4.05Å; L120-L137 HydrophobicContact CD2-CD2 3.98Å; L137-L163 HydrophobicContact CD2-CD1 3.41Å; L137-L163 VanDerWaalsContact CD2-CD1 3.41Å; L137-L166 HydrophobicContact CD1-CD2 4.38Å; L137-L166 HydrophobicContact CD2-CD2 4.03Å; L137-Y173 WeakPolarHBondContact CB-O 3.26Å; L137-Y173 PolarHBondContact N-O 3.32Å; L137-K175 PolarHBondContact O-N 3.17Å
138N95.2Very high85Confident5 Ų547.1 Ų47.13%0.02723%0.227CC..G310 helixtrans-75.6142179.1-82.2-150.2000110.3R81 D112 L113 A114 V136 C140 G141R81-N138 PolarHBondContact NE-OD1 3.39Å; R81-N138 VanDerWaalsContact NE-OD1 3.11Å; D112-N138 PolarHBondContact OD2-ND2 3.02Å; L113-N138 WeakPolarHBondContact O-CB 3.46Å; L113-N138 PolarHBondContact O-N 3.21Å; A114-N138 HydrophobicContact CB-CB 4.4Å; V136-N138 PolarHBondContact O-N 3.31Å; V136-N138 VanDerWaalsContact O-N 3.12Å; V136-N138 PolarHBondContact O-ND2 3.48Å; N138-C140 PolarHBondContact O-N 3.08Å; N138-G141 PolarHBondContact O-N 3.21Å
139H92.7Very high82.5Confident44 Ų4443.9 Ų43.920%0.20423%0.229CC..G310 helixtrans52.435.5166.9-52-54.9000114.7G141 L142 P143 K175 T177 T180H139-G141 PolarHBondContact O-N 3.07Å; H139-G141 VanDerWaalsContact O-N 3.11Å; H139-L142 HydrophobicContact CB-CD2 3.62Å; H139-L142 HydrophobicContact CB-CG 4.3Å; H139-L142 PolarHBondContact O-N 3.41Å; H139-P143 WeakPolarHBondContact O-CD 3.43Å; H139-K175 PolarHBondContact N-O 3.36Å; H139-T177 PolarHBondContact ND1-OG1 2.82Å; H139-T180 WeakPolarHBondContact O-CG2 3.42Å
140C93.7Very high80.2Confident0 Ų045.7 Ų45.70%024%0.236CC..G310 helixtrans54.224.8-174.4-49.70000114.7N138 W159 K175 T180 A211N138-C140 PolarHBondContact O-N 3.08Å; C140-W159 HydrophobicContact CB-CZ2 4.07Å; C140-W159 WeakPolarHBondContact O-CZ2 3.5Å; C140-W159 PolarHBondContact O-NE1 3.12Å; C140-K175 PolarHBondContact N-O 3.44Å; C140-T180 HydrophobicContact CB-CG2 4.2Å; C140-A211 HydrophobicContact CB-CB 4.07Å
141G92.2Very high78.1Confident0 Ų050.7 Ų50.70%027%0.272CS..G310 helixtrans73.231.2-176.100000113.9N138 H139N138-G141 PolarHBondContact O-N 3.21Å; H139-G141 PolarHBondContact O-N 3.07Å; H139-G141 VanDerWaalsContact O-N 3.11Å
142L87.9Confident76.4Confident30 Ų3052.1 Ų52.116%0.15728%0.275CS..  trans47.360.6174.7-62.9174.1000112.8P117 H139 V144P117-L142 WeakPolarHBondContact CD-O 3.4Å; H139-L142 HydrophobicContact CB-CD2 3.62Å; H139-L142 HydrophobicContact CB-CG 4.3Å; H139-L142 PolarHBondContact O-N 3.41Å; L142-V144 PolarHBondContact O-N 3.49Å; L142-V144 VanDerWaalsContact O-N 3.1Å
143P83.7Confident75.3Confident4 Ų445 Ų453%0.02625%0.245CC..  trans-50.9123.5178.715-25.1000111H139 E145 W156 W159 A207H139-P143 WeakPolarHBondContact O-CD 3.43Å; P143-E145 PolarHBondContact O-N 2.84Å; P143-W156 HydrophobicContact CB-CZ3 3.93Å; P143-W159 HydrophobicContact CB-CD2 3.75Å; P143-W159 HydrophobicContact CB-CE3 4.26Å; P143-W159 HydrophobicContact CB-CG 4.09Å; P143-W159 HydrophobicContact CB-CH2 4.41Å; P143-W159 HydrophobicContact CB-CZ2 3.86Å; P143-W159 HydrophobicContact CG-CH2 4.5Å; P143-W159 HydrophobicContact CG-CZ2 3.87Å; P143-A207 HydrophobicContact CB-CB 4.34Å; P143-A207 HydrophobicContact CG-CB 3.66Å
144V68.3Low74.4Confident50 Ų5050.6 Ų50.630%0.30327%0.274SS..  trans-74.992.3165.1-87.50000108.3P117 L142 F146 A155P117-V144 HydrophobicContact CB-CG2 4.26Å; P117-V144 HydrophobicContact CG-CG1 4.29Å; P117-V144 HydrophobicContact CG-CG2 3.75Å; L142-V144 PolarHBondContact O-N 3.49Å; L142-V144 VanDerWaalsContact O-N 3.1Å; V144-F146 VanDerWaalsContact C-N 3.33Å; V144-F146 HydrophobicContact CB-CD2 4.07Å; V144-F146 HydrophobicContact CB-CE2 4.04Å; V144-F146 HydrophobicContact CG1-CE2 4.19Å; V144-F146 PolarHBondContact O-N 2.83Å; V144-F146 VanDerWaalsContact O-N 3.11Å; V144-A155 HydrophobicContact CG2-CB 4.1Å
145E57.3Low73.6Confident21 Ų2149.8 Ų49.810%0.09828%0.278CS..  trans-80.187.1166.8-82.7-176.5152.200110P143 T147 W156 C203P143-E145 PolarHBondContact O-N 2.84Å; E145-T147 VanDerWaalsContact C-N 3.33Å; E145-T147 PolarHBondContact O-N 3.3Å; E145-W156 HydrophobicContact CG-CE3 3.73Å; E145-W156 HydrophobicContact CG-CH2 4.09Å; E145-W156 HydrophobicContact CG-CZ3 3.4Å; E145-W156 VanDerWaalsContact CG-CZ3 3.4Å; E145-W156 VanDerWaalsContact OE1-CH2 3.24Å; E145-W156 WeakPolarHBondContact OE1-CH2 3.42Å; E145-W156 WeakPolarHBondContact OE1-CZ3 3.24Å; E145-C203 WeakPolarHBondContact OE2-CA 3.29Å; E145-C203 WeakPolarHBondContact OE2-CB 3.32Å; E145-C203 PolarHBondContact OE2-N 3.42Å; E145-C203 VanDerWaalsContact OE2-O 3.1Å
146F49.2Very low72.8Confident123 Ų12351.5 Ų51.554%0.53928%0.284SS..SBendtrans-78.691.3153.3-72.2-79.6000107.2V144 N153V144-F146 VanDerWaalsContact C-N 3.33Å; V144-F146 HydrophobicContact CB-CD2 4.07Å; V144-F146 HydrophobicContact CB-CE2 4.04Å; V144-F146 HydrophobicContact CG1-CE2 4.19Å; V144-F146 PolarHBondContact O-N 2.83Å; V144-F146 VanDerWaalsContact O-N 3.11Å; F146-N153 WeakPolarHBondContact CB-ND2 3.48Å; F146-N153 PolarHBondContact O-ND2 2.81Å
147T40.9Very low72.3Confident39 Ų3956.4 Ų56.424%0.23931%0.305CS..  trans60.8100.4173.266.30000115.6E145 S149 R150 H201E145-T147 VanDerWaalsContact C-N 3.33Å; E145-T147 PolarHBondContact O-N 3.3Å; T147-S149 PolarHBondContact O-N 3.42Å; T147-R150 PolarHBondContact O-N 3.37Å; T147-R150 WeakPolarHBondContact OG1-CB 3.32Å; T147-H201 HydrophobicContact CG2-CB 4.48Å
148A43.3Very low71.9Confident53 Ų5360 Ų6044%0.43832%0.324SS..THydrogen-bonded Turntrans-56.2-5.9163.600000114.3C203A148-C203 HydrophobicContact CB-CB 3.54Å
149S44.9Very low71.7Confident104 Ų10459.9 Ų59.973%0.72732%0.324SS*.THydrogen-bonded Turntrans-97.7-7.7178.869.70000115.3T147T147-S149 PolarHBondContact O-N 3.42Å
150R50Low71.7Confident166 Ų16662.4 Ų62.463%0.62633%0.332SS*.  trans-107.793.9-180-75.3-165.4174.2176.20.8110.9T147 D152 N153T147-R150 PolarHBondContact O-N 3.37Å; T147-R150 WeakPolarHBondContact OG1-CB 3.32Å; R150-D152 WeakPolarHBondContact CB-OD1 3.46Å; R150-D152 PolarHBondContact O-N 2.82Å; R150-N153 WeakPolarHBondContact O-CB 3.3Å; R150-N153 PolarHBondContact O-N 2.84Å
151S53.1Low71.8Confident110 Ų11065.4 Ų65.477%0.76935%0.352SS*.THydrogen-bonded Turntrans-55.4-10.6176.562.90000114.9K157S151-K157 WeakPolarHBondContact O-CE 3.41Å; S151-K157 PolarHBondContact O-NZ 3.21Å
152D62.7Low72Confident115 Ų11566.1 Ų66.162%0.61536%0.356SS*.THydrogen-bonded Turntrans-98.83.9175.962.3-23.1000114.2R150 L154R150-D152 WeakPolarHBondContact CB-OD1 3.46Å; R150-D152 PolarHBondContact O-N 2.82Å; D152-L154 PolarHBondContact O-N 3.29Å
153N73.7Confident72.4Confident26 Ų2664.7 Ų64.714%0.13935%0.349CS..  trans-64.4110.9178.8-168.9-55.6000112.1F146 R150 A155 W156 K157F146-N153 WeakPolarHBondContact CB-ND2 3.48Å; F146-N153 PolarHBondContact O-ND2 2.81Å; R150-N153 WeakPolarHBondContact O-CB 3.3Å; R150-N153 PolarHBondContact O-N 2.84Å; N153-A155 WeakPolarHBondContact OD1-CA 3.46Å; N153-A155 WeakPolarHBondContact OD1-CB 3.23Å; N153-A155 PolarHBondContact OD1-N 2.81Å; N153-W156 HydrophobicContact CB-CB 3.96Å; N153-W156 PolarHBondContact O-N 3.12Å; N153-W156 PolarHBondContact OD1-N 3.02Å; N153-K157 WeakPolarHBondContact O-CG 3.5Å; N153-K157 PolarHBondContact O-N 3.48Å; N153-K157 VanDerWaalsContact O-N 3.11Å
154L80.7Confident73.1Confident119 Ų11968.6 Ų68.662%0.62337%0.367SS*.Hα-helixtrans-66.5-39.1-179.2-17760.9000112.7D152 W156 K157 N158D152-L154 PolarHBondContact O-N 3.29Å; L154-W156 VanDerWaalsContact C-N 3.35Å; L154-W156 PolarHBondContact O-N 2.86Å; L154-K157 PolarHBondContact O-N 3.22Å; L154-N158 WeakPolarHBondContact O-CB 3.41Å; L154-N158 PolarHBondContact O-N 3.14Å; L154-N158 PolarHBondContact O-ND2 3.27Å; L154-N158 PolarHBondContact O-OD1 2.92Å
155A80.7Confident74.5Confident36 Ų3669.3 Ų69.330%0.29837%0.368SS..Hα-helixtrans-63.2-43178.800000111.2V144 N153 N158 W159V144-A155 HydrophobicContact CG2-CB 4.1Å; N153-A155 WeakPolarHBondContact OD1-CA 3.46Å; N153-A155 WeakPolarHBondContact OD1-CB 3.23Å; N153-A155 PolarHBondContact OD1-N 2.81Å; A155-N158 PolarHBondContact O-N 2.94Å; A155-W159 WeakPolarHBondContact O-CB 3.45Å; A155-W159 PolarHBondContact O-N 3.27Å
156W82.8Confident76.5Confident37 Ų3768.3 Ų68.314%0.1436%0.364CS..Hα-helixtrans-61.6-46.9174.4-179.1-119.8000112.1P143 E145 N153 L154 N158 W159 R160 A207P143-W156 HydrophobicContact CB-CZ3 3.93Å; E145-W156 HydrophobicContact CG-CE3 3.73Å; E145-W156 HydrophobicContact CG-CH2 4.09Å; E145-W156 HydrophobicContact CG-CZ3 3.4Å; E145-W156 VanDerWaalsContact CG-CZ3 3.4Å; E145-W156 VanDerWaalsContact OE1-CH2 3.24Å; E145-W156 WeakPolarHBondContact OE1-CH2 3.42Å; E145-W156 WeakPolarHBondContact OE1-CZ3 3.24Å; N153-W156 HydrophobicContact CB-CB 3.96Å; N153-W156 PolarHBondContact O-N 3.12Å; N153-W156 PolarHBondContact OD1-N 3.02Å; L154-W156 VanDerWaalsContact C-N 3.35Å; L154-W156 PolarHBondContact O-N 2.86Å; W156-N158 VanDerWaalsContact C-N 3.32Å; W156-N158 PolarHBondContact O-N 3.24Å; W156-W159 HydrophobicContact CD2-CE3 4.34Å; W156-W159 AromaticContact CE3-CE3 3.74Å; W156-W159 HydrophobicContact CE3-CE3 3.74Å; W156-W159 HydrophobicContact CE3-CZ3 4.14Å; W156-W159 AromaticContact CH2-CE3 3.98Å; W156-W159 HydrophobicContact CH2-CE3 3.98Å; W156-W159 HydrophobicContact CH2-CH2 4.23Å; W156-W159 AromaticContact CH2-CZ3 3.49Å; W156-W159 HydrophobicContact CH2-CZ3 3.49Å; W156-W159 VanDerWaalsContact CH2-CZ3 3.49Å; W156-W159 HydrophobicContact CZ2-CZ3 4.06Å; W156-W159 HydrophobicContact CZ3-CD2 4.36Å; W156-W159 AromaticContact CZ3-CE3 3.53Å; W156-W159 HydrophobicContact CZ3-CE3 3.53Å; W156-W159 HydrophobicContact CZ3-CH2 4.3Å; W156-W159 AromaticContact CZ3-CZ3 3.51Å; W156-W159 HydrophobicContact CZ3-CZ3 3.51Å; W156-W159 PolarHBondContact O-N 2.86Å; W156-R160 HydrophobicContact CD2-CG 4.36Å; W156-R160 HydrophobicContact CZ2-CG 4.42Å; W156-R160 WeakPolarHBondContact O-CG 3.44Å; W156-R160 PolarHBondContact O-N 3.26Å; W156-A207 HydrophobicContact CH2-CB 3.91Å; W156-A207 HydrophobicContact CZ3-CB 4.23Å
157K87Confident78.8Confident102 Ų10262.8 Ų62.844%0.44334%0.341SS..Hα-helixtrans-60.9-41.2176.9-73.5175.6-178173.30112.3S151 N153 L154 R160 S161S151-K157 WeakPolarHBondContact O-CE 3.41Å; S151-K157 PolarHBondContact O-NZ 3.21Å; N153-K157 WeakPolarHBondContact O-CG 3.5Å; N153-K157 PolarHBondContact O-N 3.48Å; N153-K157 VanDerWaalsContact O-N 3.11Å; L154-K157 PolarHBondContact O-N 3.22Å; K157-R160 PolarHBondContact O-N 2.9Å; K157-S161 WeakPolarHBondContact O-CB 3.2Å; K157-S161 PolarHBondContact O-N 3.44Å; K157-S161 PolarHBondContact O-OG 2.63Å
158N89.7Confident81.6Confident75 Ų7568.9 Ų68.940%0.40136%0.359SS..Hα-helixtrans-65.3-50.1177.8-71.5-10.5000110.8L154 A155 W156 R160 S161 D162L154-N158 WeakPolarHBondContact O-CB 3.41Å; L154-N158 PolarHBondContact O-N 3.14Å; L154-N158 PolarHBondContact O-ND2 3.27Å; L154-N158 PolarHBondContact O-OD1 2.92Å; A155-N158 PolarHBondContact O-N 2.94Å; W156-N158 VanDerWaalsContact C-N 3.32Å; W156-N158 PolarHBondContact O-N 3.24Å; N158-R160 VanDerWaalsContact C-N 3.31Å; N158-R160 PolarHBondContact O-N 2.92Å; N158-S161 PolarHBondContact O-N 3.4Å; N158-S161 VanDerWaalsContact O-N 3.17Å; N158-D162 WeakPolarHBondContact O-CB 3.1Å; N158-D162 PolarHBondContact O-N 2.94Å
159W91.3Very high84.2Confident4 Ų469.2 Ų69.22%0.01535%0.35CS..Hα-helixtrans-55.1-47175.4170.885.3000111.6L120 C140 P143 A155 W156 S161 D162 L163 A207 H210L120-W159 VanDerWaalsContact CD1-CD1 3.5Å; L120-W159 HydrophobicContact CD1-CG 4.3Å; C140-W159 HydrophobicContact CB-CZ2 4.07Å; C140-W159 WeakPolarHBondContact O-CZ2 3.5Å; C140-W159 PolarHBondContact O-NE1 3.12Å; P143-W159 HydrophobicContact CB-CD2 3.75Å; P143-W159 HydrophobicContact CB-CE3 4.26Å; P143-W159 HydrophobicContact CB-CG 4.09Å; P143-W159 HydrophobicContact CB-CH2 4.41Å; P143-W159 HydrophobicContact CB-CZ2 3.86Å; P143-W159 HydrophobicContact CG-CH2 4.5Å; P143-W159 HydrophobicContact CG-CZ2 3.87Å; A155-W159 WeakPolarHBondContact O-CB 3.45Å; A155-W159 PolarHBondContact O-N 3.27Å; W156-W159 HydrophobicContact CD2-CE3 4.34Å; W156-W159 AromaticContact CE3-CE3 3.74Å; W156-W159 HydrophobicContact CE3-CE3 3.74Å; W156-W159 HydrophobicContact CE3-CZ3 4.14Å; W156-W159 AromaticContact CH2-CE3 3.98Å; W156-W159 HydrophobicContact CH2-CE3 3.98Å; W156-W159 HydrophobicContact CH2-CH2 4.23Å; W156-W159 AromaticContact CH2-CZ3 3.49Å; W156-W159 HydrophobicContact CH2-CZ3 3.49Å; W156-W159 VanDerWaalsContact CH2-CZ3 3.49Å; W156-W159 HydrophobicContact CZ2-CZ3 4.06Å; W156-W159 HydrophobicContact CZ3-CD2 4.36Å; W156-W159 AromaticContact CZ3-CE3 3.53Å; W156-W159 HydrophobicContact CZ3-CE3 3.53Å; W156-W159 HydrophobicContact CZ3-CH2 4.3Å; W156-W159 AromaticContact CZ3-CZ3 3.51Å; W156-W159 HydrophobicContact CZ3-CZ3 3.51Å; W156-W159 PolarHBondContact O-N 2.86Å; W159-S161 VanDerWaalsContact C-N 3.33Å; W159-S161 PolarHBondContact O-N 3.17Å; W159-D162 PolarHBondContact O-N 3.2Å; W159-L163 HydrophobicContact CH2-CD2 3.79Å; W159-L163 HydrophobicContact CZ2-CD2 3.53Å; W159-L163 HydrophobicContact CZ2-CG 4.47Å; W159-L163 WeakPolarHBondContact O-CB 3.06Å; W159-L163 PolarHBondContact O-N 3.23Å; W159-A207 HydrophobicContact CH2-CB 3.99Å; W159-A207 WeakPolarHBondContact CH2-O 3.5Å; W159-A207 HydrophobicContact CZ2-CB 4.45Å; W159-H210 HydrophobicContact CH2-CB 4.15Å; W159-H210 AromaticContact CH2-CD2 3.81Å; W159-H210 HydrophobicContact CZ3-CB 4.07Å; W159-H210 AromaticContact CZ3-CD2 3.56Å
160R92.7Very high86.8Confident97 Ų9769.1 Ų69.137%0.36635%0.347SS..Hα-helixtrans-58-46.1178.4-74.3-178.174120.80.4112.2W156 K157 N158 E164 H210W156-R160 HydrophobicContact CD2-CG 4.36Å; W156-R160 HydrophobicContact CZ2-CG 4.42Å; W156-R160 WeakPolarHBondContact O-CG 3.44Å; W156-R160 PolarHBondContact O-N 3.26Å; K157-R160 PolarHBondContact O-N 2.9Å; N158-R160 VanDerWaalsContact C-N 3.31Å; N158-R160 PolarHBondContact O-N 2.92Å; R160-E164 WeakPolarHBondContact O-CB 3.49Å; R160-E164 PolarHBondContact O-N 3.04Å; R160-H210 VanDerWaalsContact CA-NE2 3.33Å; R160-H210 WeakPolarHBondContact CA-NE2 3.44Å; R160-H210 WeakPolarHBondContact CB-NE2 2.93Å; R160-H210 PolarHBondContact NE-ND1 3.13Å; R160-H210 PolarHBondContact NH2-ND1 3.49Å; R160-H210 PolarHBondContact O-NE2 3.25Å
161S95.6Very high89.1Confident62 Ų6261.9 Ų61.943%0.43432%0.32SS..Hα-helixtrans-68.7-41.5-177.9-54.60000111.6K157 N158 W159 E164 L165K157-S161 WeakPolarHBondContact O-CB 3.2Å; K157-S161 PolarHBondContact O-N 3.44Å; K157-S161 PolarHBondContact O-OG 2.63Å; N158-S161 PolarHBondContact O-N 3.4Å; N158-S161 VanDerWaalsContact O-N 3.17Å; W159-S161 VanDerWaalsContact C-N 3.33Å; W159-S161 PolarHBondContact O-N 3.17Å; S161-E164 PolarHBondContact O-N 3.11Å; S161-L165 PolarHBondContact O-N 2.81Å
162D96.4Very high91.2Very high16 Ų1656.7 Ų56.79%0.08628%0.284CS..Hα-helixtrans-73.6-35.9-178.4-66.6-8.9000111.3L120 R121 N158 W159 L165 L166L120-D162 HydrophobicContact CB-CB 3.77Å; L120-D162 HydrophobicContact CD1-CB 4.04Å; R121-D162 HydrophobicContact CG-CB 4.24Å; R121-D162 IonicContact CZ-OD1 2.83Å; R121-D162 VanDerWaalsContact CZ-OD1 3.22Å; R121-D162 VanDerWaalsContact NE-CG 3.3Å; R121-D162 IonicContact NE-OD1 3.75Å; R121-D162 PolarHBondContact NE-OD1 2.81Å; R121-D162 IonicContact NE-OD2 3.22Å; R121-D162 PolarHBondContact NE-OD2 3.28Å; R121-D162 IonicContact NH2-OD1 2.72Å; R121-D162 PolarHBondContact NH2-OD1 2.87Å; N158-D162 WeakPolarHBondContact O-CB 3.1Å; N158-D162 PolarHBondContact O-N 2.94Å; W159-D162 PolarHBondContact O-N 3.2Å; D162-L165 PolarHBondContact O-N 3.47Å; D162-L166 WeakPolarHBondContact O-CB 3.33Å; D162-L166 PolarHBondContact O-N 3.49Å
163L96.6Very high93Very high0 Ų052.7 Ų52.70%026%0.26CS..Hα-helixtrans-64.9-42.9171.6-16977.9000111.2L120 L137 W159 L165 L166 S167 A211 F215L120-L163 HydrophobicContact CD1-CB 4.28Å; L120-L163 HydrophobicContact CD1-CD1 4.49Å; L120-L163 HydrophobicContact CD2-CD1 4.25Å; L137-L163 HydrophobicContact CD2-CD1 3.41Å; L137-L163 VanDerWaalsContact CD2-CD1 3.41Å; W159-L163 HydrophobicContact CH2-CD2 3.79Å; W159-L163 HydrophobicContact CZ2-CD2 3.53Å; W159-L163 HydrophobicContact CZ2-CG 4.47Å; W159-L163 WeakPolarHBondContact O-CB 3.06Å; W159-L163 PolarHBondContact O-N 3.23Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 2.86Å; L163-L166 PolarHBondContact O-N 2.74Å; L163-S167 WeakPolarHBondContact O-CB 3.25Å; L163-S167 PolarHBondContact O-N 3.03Å; L163-A211 HydrophobicContact CD2-CB 3.83Å; L163-F215 HydrophobicContact CD1-CE2 3.95Å; L163-F215 HydrophobicContact CG-CE2 4Å
164E98.2Very high94.1Very high85 Ų8551.5 Ų51.540%0.39725%0.254SS..Hα-helixtrans-60.3-43.7175.2-167.1-160.5135.200110.7R160 S161 S167 R168R160-E164 WeakPolarHBondContact O-CB 3.49Å; R160-E164 PolarHBondContact O-N 3.04Å; S161-E164 PolarHBondContact O-N 3.11Å; E164-S167 PolarHBondContact O-N 2.95Å; E164-S167 PolarHBondContact O-OG 3.09Å; E164-R168 IonicContact OE1-CZ 2.63Å; E164-R168 IonicContact OE1-NH2 3.52Å; E164-R168 PolarHBondContact OE1-NH2 3.27Å
165L98.4Very high94.9Very high65 Ų6546.8 Ų46.834%0.3423%0.228SC..Hα-helixtrans-60.7-49.7176.5-177.564.1000111.7S161 D162 L163 S167 R168S161-L165 PolarHBondContact O-N 2.81Å; D162-L165 PolarHBondContact O-N 3.47Å; L163-L165 VanDerWaalsContact C-N 3.31Å; L163-L165 PolarHBondContact O-N 2.86Å; L165-S167 PolarHBondContact O-N 3.29Å; L165-R168 WeakPolarHBondContact O-CB 3.47Å; L165-R168 PolarHBondContact O-N 3.46Å
166L98.7Very high95.6Very high0 Ų045 Ų450%021%0.214CC..Hα-helixtrans-60.9-35.5177.9-178.661.4000111.8L120 A123 L137 D162 L163 R168 Y169 V172L120-L166 HydrophobicContact CD2-CD2 3.79Å; A123-L166 HydrophobicContact CB-CD1 3.92Å; A123-L166 HydrophobicContact CB-CD2 4.06Å; L137-L166 HydrophobicContact CD1-CD2 4.38Å; L137-L166 HydrophobicContact CD2-CD2 4.03Å; D162-L166 WeakPolarHBondContact O-CB 3.33Å; D162-L166 PolarHBondContact O-N 3.49Å; L163-L166 PolarHBondContact O-N 2.74Å; L166-R168 PolarHBondContact O-N 2.87Å; L166-R168 VanDerWaalsContact O-N 3.08Å; L166-Y169 HydrophobicContact CD1-CD2 4.48Å; L166-Y169 WeakPolarHBondContact O-CD2 3.42Å; L166-Y169 PolarHBondContact O-N 3.07Å; L166-Y169 VanDerWaalsContact O-N 3.15Å; L166-V172 HydrophobicContact CD1-CG1 4.23Å; L166-V172 HydrophobicContact CD1-CG2 3.99Å; L166-V172 HydrophobicContact CD2-CG1 4.34Å; L166-V172 HydrophobicContact CG-CG1 4.03Å
167S98.6Very high95.9Very high8 Ų843.4 Ų43.46%0.05621%0.208CC..THydrogen-bonded Turntrans-64.6-12.3177.381.50000113.7L163 E164 L165 Y169 C214 R219L163-S167 WeakPolarHBondContact O-CB 3.25Å; L163-S167 PolarHBondContact O-N 3.03Å; E164-S167 PolarHBondContact O-N 2.95Å; E164-S167 PolarHBondContact O-OG 3.09Å; L165-S167 PolarHBondContact O-N 3.29Å; S167-Y169 PolarHBondContact O-N 3.35Å; S167-C214 PolarHBondContact OG-O 2.91Å; S167-R219 PolarHBondContact O-NH1 3.28Å; S167-R219 PolarHBondContact O-NH2 3.21Å
168R98.5Very high95.1Very high167 Ų16738.6 Ų38.663%0.6319%0.187SC*.THydrogen-bonded Turntrans-75.2-13.9176.1-61.2177.3-174.4-1770.3113.1E164 L165 L166E164-R168 IonicContact OE1-CZ 2.63Å; E164-R168 IonicContact OE1-NH2 3.52Å; E164-R168 PolarHBondContact OE1-NH2 3.27Å; L165-R168 WeakPolarHBondContact O-CB 3.47Å; L165-R168 PolarHBondContact O-N 3.46Å; L166-R168 PolarHBondContact O-N 2.87Å; L166-R168 VanDerWaalsContact O-N 3.08Å
169Y98.7Very high94.3Very high60 Ų6035.3 Ų35.324%0.23517%0.17CC..  trans-84.7122.8178.2-68.3-91.6000111.1C124 A127 Y128 L166 S167 N171 V172 R219C124-Y169 HydrophobicContact CB-CD2 4.4Å; C124-Y169 HydrophobicContact CB-CE2 3.55Å; A127-Y169 HydrophobicContact CB-CD1 3.65Å; A127-Y169 HydrophobicContact CB-CD2 4.26Å; A127-Y169 HydrophobicContact CB-CE1 4.31Å; A127-Y169 HydrophobicContact CB-CG 3.61Å; Y128-Y169 HydrophobicContact CD2-CE1 4.43Å; L166-Y169 HydrophobicContact CD1-CD2 4.48Å; L166-Y169 WeakPolarHBondContact O-CD2 3.42Å; L166-Y169 PolarHBondContact O-N 3.07Å; L166-Y169 VanDerWaalsContact O-N 3.15Å; S167-Y169 PolarHBondContact O-N 3.35Å; Y169-N171 VanDerWaalsContact C-N 3.29Å; Y169-N171 PolarHBondContact O-N 3.2Å; Y169-V172 PolarHBondContact O-N 2.99Å; Y169-R219 PolarHBondContact O-NH1 3.42Å
170P98.2Very high93.1Very high102 Ų10235.1 Ų35.166%0.66217%0.17SC*.THydrogen-bonded Turntrans-72.1-22-171.628.7-35.7000113.7V172P170-V172 VanDerWaalsContact C-N 3.3Å
171N98.5Very high91.5Very high14 Ų1431 Ų318%0.07516%0.158CC..THydrogen-bonded Turntrans-84.8-1.8175.962.5-41.6000113.3A127 H130 L133 L135 Y169A127-N171 PolarHBondContact O-ND2 3.01Å; A127-N171 PolarHBondContact O-OD1 3.09Å; H130-N171 PolarHBondContact O-ND2 2.84Å; L133-N171 WeakPolarHBondContact O-CB 3.29Å; L133-N171 PolarHBondContact O-ND2 3.1Å; L133-N171 VanDerWaalsContact O-ND2 3.14Å; L135-N171 PolarHBondContact N-O 3.5Å; Y169-N171 VanDerWaalsContact C-N 3.29Å; Y169-N171 PolarHBondContact O-N 3.2Å
172V98.8Very high89.4Confident0 Ų031.5 Ų31.50%016%0.16CC..EExtended strand (participates in β ladder)trans-99.9128.6176.5-170.10000110.6A127 L135 L166 Y169 P170 F215 R219A127-V172 HydrophobicContact CB-CG2 3.46Å; A127-V172 VanDerWaalsContact CB-CG2 3.46Å; L135-V172 HydrophobicContact CB-CG2 4.28Å; L135-V172 HydrophobicContact CD1-CG2 4.26Å; L135-V172 CarbonylContact O-C 3.5Å; L135-V172 WeakPolarHBondContact O-CA 3.46Å; L166-V172 HydrophobicContact CD1-CG1 4.23Å; L166-V172 HydrophobicContact CD1-CG2 3.99Å; L166-V172 HydrophobicContact CD2-CG1 4.34Å; L166-V172 HydrophobicContact CG-CG1 4.03Å; Y169-V172 PolarHBondContact O-N 2.99Å; P170-V172 VanDerWaalsContact C-N 3.3Å; V172-F215 HydrophobicContact CB-CE1 4.28Å; V172-F215 HydrophobicContact CG1-CE1 3.9Å; V172-F215 HydrophobicContact CG1-CZ 4.21Å; V172-R219 PolarHBondContact O-NH1 2.92Å
173Y98.8Very high87.1Confident32 Ų3234.8 Ų34.813%0.12518%0.177CC..EExtended strand (participates in β ladder)trans-116.6161.8175.1-62.8-99.6000109.4K134 L135 L137 R219 L221 V306K134-Y173 HydrophobicContact CB-CE2 4.37Å; K134-Y173 HydrophobicContact CG-CE2 4.27Å; L135-Y173 PolarHBondContact O-N 3.08Å; L137-Y173 WeakPolarHBondContact CB-O 3.26Å; L137-Y173 PolarHBondContact N-O 3.32Å; Y173-R219 CarbonylContact C-O 3.57Å; Y173-R219 WeakPolarHBondContact CA-O 3.44Å; Y173-R219 WeakPolarHBondContact CB-O 3.22Å; Y173-R219 HydrophobicContact CD1-CB 3.99Å; Y173-R219 HydrophobicContact CD1-CG 4.09Å; Y173-R219 HydrophobicContact CE1-CB 4.44Å; Y173-R219 HydrophobicContact CE1-CG 4.05Å; Y173-L221 HydrophobicContact CD1-CD1 4.02Å; Y173-L221 HydrophobicContact CG-CD1 4.16Å; Y173-V306 HydrophobicContact CD1-CG2 3.5Å; Y173-V306 HydrophobicContact CD2-CG2 4.27Å; Y173-V306 HydrophobicContact CE1-CG2 3.33Å; Y173-V306 HydrophobicContact CE2-CG2 4.13Å; Y173-V306 HydrophobicContact CG-CG2 4Å
174C98.3Very high84.6Confident0 Ų041 Ų410%021%0.206CC..EExtended strand (participates in β ladder)trans-126.5121-178.7-173.30000111.3V176 F215 R219 C220 L221C174-V176 PolarHBondContact O-N 3.42Å; C174-F215 HydrophobicContact CB-CB 4.44Å; C174-F215 HydrophobicContact CB-CD1 4.01Å; C174-F215 HydrophobicContact CB-CD2 3.59Å; C174-F215 HydrophobicContact CB-CE1 4.14Å; C174-F215 HydrophobicContact CB-CE2 3.74Å; C174-F215 HydrophobicContact CB-CG 3.74Å; C174-F215 HydrophobicContact CB-CZ 4.01Å; C174-R219 PolarHBondContact N-O 3.42Å; C174-C220 CarbonylContact O-C 3.06Å; C174-C220 VanDerWaalsContact O-CA 3.29Å; C174-C220 WeakPolarHBondContact O-CA 3.46Å; C174-L221 PolarHBondContact O-N 2.95Å
175K96.9Very high81.6Confident20 Ų2044.8 Ų44.89%0.08722%0.221CC..EExtended strand (participates in β ladder)trans-74.7110.2166.5-92.7174.6178.5173.70109.4D112 V136 L137 H139 C140 T177 L221 Y307D112-K175 IonicContact OD1-NZ 3.94Å; D112-K175 IonicContact OD2-NZ 2.64Å; D112-K175 PolarHBondContact OD2-NZ 3.41Å; V136-K175 HydrophobicContact CG1-CB 4.26Å; V136-K175 HydrophobicContact CG1-CD 3.8Å; V136-K175 HydrophobicContact CG1-CG 3.58Å; L137-K175 PolarHBondContact O-N 3.17Å; H139-K175 PolarHBondContact N-O 3.36Å; C140-K175 PolarHBondContact N-O 3.44Å; K175-T177 HydrophobicContact CB-CG2 4.12Å; K175-T177 PolarHBondContact O-N 2.98Å; K175-L221 CarbonylContact C-O 3.54Å; K175-L221 VanDerWaalsContact CA-O 3.3Å; K175-L221 WeakPolarHBondContact CA-O 2.81Å; K175-L221 HydrophobicContact CG-CB 4.21Å; K175-Y307 WeakPolarHBondContact CE-OH 3.38Å; K175-Y307 PolarHBondContact NZ-OH 3.23Å
176V95.2Very high78.5Confident0 Ų044.1 Ų44.10%022%0.222CC..EExtended strand (participates in β ladder)trans-89.4104.1174.4-69.80000108C174 L208 A211 I212 C220 L221 G223 V280 I298C174-V176 PolarHBondContact O-N 3.42Å; V176-L208 HydrophobicContact CB-CD2 3.75Å; V176-L208 HydrophobicContact CG1-CD2 4.29Å; V176-A211 HydrophobicContact CG1-CB 4.41Å; V176-I212 HydrophobicContact CG1-CG1 3.85Å; V176-C220 HydrophobicContact CG1-CB 4.12Å; V176-C220 HydrophobicContact CG2-CB 4.12Å; V176-L221 VanDerWaalsContact CG2-O 3.32Å; V176-L221 WeakPolarHBondContact CG2-O 3.28Å; V176-L221 PolarHBondContact N-O 2.83Å; V176-G223 PolarHBondContact O-N 2.85Å; V176-G223 VanDerWaalsContact O-N 3.17Å; V176-V280 HydrophobicContact CB-CG1 4.46Å; V176-V280 HydrophobicContact CB-CG2 4.43Å; V176-V280 HydrophobicContact CG2-CG1 3.76Å; V176-V280 HydrophobicContact CG2-CG2 4.35Å; V176-I298 HydrophobicContact CG2-CG2 3.89Å
177T88.1Confident75.4Confident3 Ų349.1 Ų49.12%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-121.5137.8-174.569.50000111.7H139 K175 A179 T180 G223H139-T177 PolarHBondContact ND1-OG1 2.82Å; K175-T177 HydrophobicContact CB-CG2 4.12Å; K175-T177 PolarHBondContact O-N 2.98Å; T177-A179 PolarHBondContact O-N 3.47Å; T177-T180 WeakPolarHBondContact O-CG2 3.45Å; T177-T180 PolarHBondContact O-N 3.47Å; T177-G223 WeakPolarHBondContact CA-O 3.21Å; T177-G223 WeakPolarHBondContact CB-O 3.07Å; T177-G223 WeakPolarHBondContact CG2-O 3.3Å
178G71.8Confident72.6Confident0 Ų057.3 Ų57.30%029%0.294CS..SBendtrans-66.40.9173.900000114.5W202G178-W202 WeakPolarHBondContact O-CH2 3.25Å; G178-W202 WeakPolarHBondContact O-CZ2 3.32Å
179A71.9Confident69.7Low6 Ų654.3 Ų54.35%0.0529%0.29CS..  trans-118.151.2177.100000110.8T177 G181 C229 F232T177-A179 PolarHBondContact O-N 3.47Å; A179-G181 VanDerWaalsContact C-N 3.27Å; A179-G181 PolarHBondContact O-N 2.96Å; A179-C229 HydrophobicContact CB-CB 4.26Å; A179-F232 HydrophobicContact CB-CD2 4.23Å; A179-F232 HydrophobicContact CB-CE2 3.77Å
180T65.4Low66.7Low0 Ų055.4 Ų55.40%031%0.307CS..  trans-76.8-8.3-178.548.90000114.8H139 C140 T177 W202 L208H139-T180 WeakPolarHBondContact O-CG2 3.42Å; C140-T180 HydrophobicContact CB-CG2 4.2Å; T177-T180 WeakPolarHBondContact O-CG2 3.45Å; T177-T180 PolarHBondContact O-N 3.47Å; T180-W202 PolarHBondContact OG1-NE1 3.38Å; T180-L208 HydrophobicContact CG2-CD2 4.3Å
181G60Low64Low12 Ų1258.8 Ų58.812%0.12432%0.319CS..  trans-84.6142.7-171.500000114A179A179-G181 VanDerWaalsContact C-N 3.27Å; A179-G181 PolarHBondContact O-N 2.96Å
182C52.2Low61.3Low71 Ų7163.4 Ų63.448%0.4834%0.344SS..  trans-76.9124.7170.4-155.60000109.7Q184C182-Q184 VanDerWaalsContact C-N 3.35Å; C182-Q184 PolarHBondContact O-N 2.77Å
183I47.4Very low58.4Low86 Ų8670.1 Ų70.144%0.44139%0.385SS..  trans-85.785.8166.4-57.6174.5000106.1K185 L231 F232I183-K185 PolarHBondContact O-N 3.11Å; I183-L231 HydrophobicContact CD1-CB 4.08Å; I183-L231 HydrophobicContact CD1-CD1 3.28Å; I183-L231 HydrophobicContact CD1-CG 4.29Å; I183-F232 HydrophobicContact CG1-CZ 4.48Å
184Q43.3Very low55.6Low129 Ų12972.8 Ų72.860%0.60341%0.408SS*.  trans-68.2116.3176.7-156.8170.410.800108.4C182 Y197C182-Q184 VanDerWaalsContact C-N 3.35Å; C182-Q184 PolarHBondContact O-N 2.77Å; Q184-Y197 VanDerWaalsContact O-CD1 3.29Å; Q184-Y197 WeakPolarHBondContact O-CD1 3.48Å; Q184-Y197 WeakPolarHBondContact O-CE1 3.44Å
185K36.6Very low52.6Low166 Ų16677.7 Ų77.772%0.72244%0.435SS*.  trans-67.9127.6171.3-93.4176.9175.4172.10109I183 S187I183-K185 PolarHBondContact O-N 3.11Å; K185-S187 PolarHBondContact O-N 3.23Å
186S32.8Very low49.6Very low50 Ų5082.3 Ų82.335%0.3546%0.464SS..THydrogen-bonded Turntrans-71.727-178.277.20000114.2E188 Y197S186-E188 PolarHBondContact O-N 3.19Å; S186-Y197 VanDerWaalsContact CB-CE2 3.48Å; S186-Y197 WeakPolarHBondContact CB-OH 3.39Å; S186-Y197 PolarHBondContact N-OH 3.28Å; S186-Y197 WeakPolarHBondContact OG-CE2 3.43Å; S186-Y197 PolarHBondContact OG-OH 2.75Å
187S34.4Very low47Very low105 Ų10588.2 Ų88.273%0.73449%0.487SS*.THydrogen-bonded Turntrans-73.7-8.4-177.647.40000113.7K185K185-S187 PolarHBondContact O-N 3.23Å
188E39.5Very low44.8Very low180 Ų18091 Ų9184%0.84151%0.507SS*.SBendtrans-124-2.2-174.8-63.7-168.6171.800115.6S186S186-E188 PolarHBondContact O-N 3.19Å
189L36.2Very low43.8Very low104 Ų10494.1 Ų94.155%0.54552%0.523SS..SBendtrans-98.1107.5173.3-71.8111.4000109.9
190S35.6Very low42.8Very low84 Ų8499.3 Ų99.359%0.58755%0.55SS*.  trans17.9136.8154.344.90000119.4D192S190-D192 PolarHBondContact O-N 3.29Å
191N42.1Very low42.4Very low172 Ų172104 Ų10492%0.9257%0.572SS**SBendtrans-53.915.6173.6-75.5-27.4000117.2T193N191-T193 PolarHBondContact O-N 2.93Å
192D42.7Very low42.6Very low111 Ų111104.7 Ų104.759%0.59457%0.571SS**  trans-87.4108.7175.2-131.4-20.2000109.3S190 S194 D195S190-D192 PolarHBondContact O-N 3.29Å; D192-S194 PolarHBondContact O-N 3.28Å; D192-D195 PolarHBondContact O-N 3.17Å
193T37.3Very low43.9Very low142 Ų142102.1 Ų102.187%0.87155%0.553SS**THydrogen-bonded Turntrans-72.527.4-172.844.20000113.8N191N191-T193 PolarHBondContact O-N 2.93Å
194S40.3Very low45.7Very low87 Ų8798 Ų9861%0.60853%0.532SS*.THydrogen-bonded Turntrans-110.9-11.5174.959.70000114.6D192 V196D192-S194 PolarHBondContact O-N 3.28Å; S194-V196 VanDerWaalsContact C-N 3.35Å; S194-V196 PolarHBondContact O-N 3.31Å
195D34.5Very low47.8Very low104 Ų10492.1 Ų92.156%0.55651%0.505SS*.  trans-93.165.9175.7-70.1-32.5000111.3D192 Y197D192-D195 PolarHBondContact O-N 3.17Å; D195-Y197 PolarHBondContact O-N 3.26Å
196V34.6Very low50.2Low117 Ų11786.4 Ų86.471%0.70949%0.486SS*.  trans-67114160.9179.10000106.4S194 S198S194-V196 VanDerWaalsContact C-N 3.35Å; S194-V196 PolarHBondContact O-N 3.31Å; V196-S198 PolarHBondContact O-N 2.79Å
197Y40.7Very low52.9Low123 Ų12384 Ų8448%0.48247%0.469SS..  trans-15.593.1164.7-60.6-100000113.6Q184 S186 D195 I199Q184-Y197 VanDerWaalsContact O-CD1 3.29Å; Q184-Y197 WeakPolarHBondContact O-CD1 3.48Å; Q184-Y197 WeakPolarHBondContact O-CE1 3.44Å; S186-Y197 VanDerWaalsContact CB-CE2 3.48Å; S186-Y197 WeakPolarHBondContact CB-OH 3.39Å; S186-Y197 PolarHBondContact N-OH 3.28Å; S186-Y197 WeakPolarHBondContact OG-CE2 3.43Å; S186-Y197 PolarHBondContact OG-OH 2.75Å; D195-Y197 PolarHBondContact O-N 3.26Å; Y197-I199 PolarHBondContact O-N 3.16Å
198S42Very low55.7Low62 Ų6279 Ų7943%0.43443%0.434SS..  trans-91.296.6175.483.40000108.6V196 D200 H201V196-S198 PolarHBondContact O-N 2.79Å; S198-D200 PolarHBondContact O-N 3.49Å; S198-D200 VanDerWaalsContact O-N 3.16Å; S198-H201 PolarHBondContact OG-CD2 2.9Å; S198-H201 VanDerWaalsContact OG-CD2 3.29Å; S198-H201 PolarHBondContact OG-NE2 2.72Å
199I51.1Low58.3Low65 Ų6571.1 Ų71.133%0.33340%0.399SS..G310 helixtrans-64.6-5.7162.3-56163.7000109.7Y197 H201 W202 F232 Q236Y197-I199 PolarHBondContact O-N 3.16Å; I199-H201 PolarHBondContact O-N 3.44Å; I199-W202 PolarHBondContact O-N 3.36Å; I199-F232 HydrophobicContact CG2-CD1 4.01Å; I199-F232 HydrophobicContact CG2-CE1 4.37Å; I199-Q236 HydrophobicContact CG2-CG 4.43Å; I199-Q236 VanDerWaalsContact CG2-OE1 3.31Å
200D50.3Low61Low115 Ų11567 Ų6762%0.61538%0.377SS*.G310 helixtrans-58-6.1-179.2-62.4-18.1000115.3S198S198-D200 PolarHBondContact O-N 3.49Å; S198-D200 VanDerWaalsContact O-N 3.16Å
201H57.7Low63.9Low98 Ų9863 Ų6345%0.45435%0.349SS..G310 helixtrans-119.22.3-176-58.4-39.5000115.4T147 S198 I199T147-H201 HydrophobicContact CG2-CB 4.48Å; S198-H201 PolarHBondContact OG-CD2 2.9Å; S198-H201 VanDerWaalsContact OG-CD2 3.29Å; S198-H201 PolarHBondContact OG-NE2 2.72Å; I199-H201 PolarHBondContact O-N 3.44Å
202W64Low66.6Low27 Ų2754.8 Ų54.810%0.10231%0.305CS..  trans-73.8145.5167.917966.8000109.9G178 T180 I199 A204 F232 Q236 T237 L271G178-W202 WeakPolarHBondContact O-CH2 3.25Å; G178-W202 WeakPolarHBondContact O-CZ2 3.32Å; T180-W202 PolarHBondContact OG1-NE1 3.38Å; I199-W202 PolarHBondContact O-N 3.36Å; W202-A204 HydrophobicContact CH2-CB 3.84Å; W202-A204 HydrophobicContact CZ2-CB 3.41Å; W202-A204 VanDerWaalsContact CZ2-CB 3.41Å; W202-F232 AromaticContact CD2-CD1 3.85Å; W202-F232 HydrophobicContact CD2-CD1 3.85Å; W202-F232 AromaticContact CD2-CE1 3.99Å; W202-F232 HydrophobicContact CD2-CE1 3.99Å; W202-F232 HydrophobicContact CE3-CB 4.28Å; W202-F232 AromaticContact CE3-CD1 3.49Å; W202-F232 HydrophobicContact CE3-CD1 3.49Å; W202-F232 VanDerWaalsContact CE3-CD1 3.49Å; W202-F232 HydrophobicContact CE3-CE1 4.12Å; W202-F232 HydrophobicContact CE3-CG 4.1Å; W202-F232 HydrophobicContact CH2-CB 3.8Å; W202-F232 AromaticContact CH2-CD1 3.74Å; W202-F232 HydrophobicContact CH2-CD1 3.74Å; W202-F232 HydrophobicContact CH2-CD2 4.11Å; W202-F232 HydrophobicContact CH2-CE1 4.33Å; W202-F232 AromaticContact CH2-CG 3.6Å; W202-F232 HydrophobicContact CH2-CG 3.6Å; W202-F232 HydrophobicContact CZ2-CD1 4.04Å; W202-F232 HydrophobicContact CZ2-CD2 4.45Å; W202-F232 HydrophobicContact CZ2-CE1 4.17Å; W202-F232 HydrophobicContact CZ2-CG 4.18Å; W202-F232 HydrophobicContact CZ2-CZ 4.44Å; W202-F232 HydrophobicContact CZ3-CB 3.51Å; W202-F232 AromaticContact CZ3-CD1 3.48Å; W202-F232 HydrophobicContact CZ3-CD1 3.48Å; W202-F232 VanDerWaalsContact CZ3-CD1 3.48Å; W202-F232 HydrophobicContact CZ3-CE1 4.34Å; W202-F232 AromaticContact CZ3-CG 3.58Å; W202-F232 HydrophobicContact CZ3-CG 3.58Å; W202-Q236 CarbonylContact C-O 3.52Å; W202-Q236 HydrophobicContact CE3-CB 3.63Å; W202-Q236 HydrophobicContact CZ3-CB 4.05Å; W202-T237 HydrophobicContact CH2-CG2 4.25Å; W202-T237 HydrophobicContact CZ3-CG2 3.99Å; W202-L271 HydrophobicContact CH2-CD1 4.07Å; W202-L271 HydrophobicContact CZ3-CD1 4.42Å
203C78.1Confident69.2Low17 Ų1752.3 Ų52.312%0.11530%0.296CS..  trans-151.770-176.2-175.10000109.7E145 A148 S205 S206 T237E145-C203 WeakPolarHBondContact OE2-CA 3.29Å; E145-C203 WeakPolarHBondContact OE2-CB 3.32Å; E145-C203 PolarHBondContact OE2-N 3.42Å; E145-C203 VanDerWaalsContact OE2-O 3.1Å; A148-C203 HydrophobicContact CB-CB 3.54Å; C203-S205 PolarHBondContact O-N 3.27Å; C203-S206 PolarHBondContact O-N 3.08Å; C203-T237 CarbonylContact C-O 3.59Å
204A85.2Confident72.1Confident0 Ų046.6 Ų46.60%026%0.262CS..Hα-helixtrans-52-31.9-176.700000115.1W202 S206 A207 L208 T237 L279W202-A204 HydrophobicContact CH2-CB 3.84Å; W202-A204 HydrophobicContact CZ2-CB 3.41Å; W202-A204 VanDerWaalsContact CZ2-CB 3.41Å; A204-S206 VanDerWaalsContact C-N 3.33Å; A204-S206 PolarHBondContact O-N 3.06Å; A204-A207 PolarHBondContact O-N 2.64Å; A204-L208 HydrophobicContact CB-CD1 4.1Å; A204-L208 VanDerWaalsContact O-CB 3.31Å; A204-L208 WeakPolarHBondContact O-CB 3.39Å; A204-L208 WeakPolarHBondContact O-CD1 3.36Å; A204-L208 WeakPolarHBondContact O-CG 3.44Å; A204-L208 PolarHBondContact O-N 2.87Å; A204-T237 PolarHBondContact N-O 2.78Å; A204-L279 HydrophobicContact CB-CD2 3.87Å
205S87.7Confident74.9Confident6 Ų642.9 Ų42.94%0.04224%0.235CC..Hα-helixtrans-55.5-47.1-179.263.80000111.8C203 A207 L208 S209 T237 G238C203-S205 PolarHBondContact O-N 3.27Å; S205-A207 PolarHBondContact O-N 3.28Å; S205-L208 PolarHBondContact O-N 3.33Å; S205-S209 WeakPolarHBondContact O-CB 3.49Å; S205-S209 PolarHBondContact O-N 2.93Å; S205-S209 PolarHBondContact O-OG 3.37Å; S205-T237 WeakPolarHBondContact CB-O 3.22Å; S205-T237 PolarHBondContact N-O 2.94Å; S205-T237 PolarHBondContact OG-O 3.49Å; S205-G238 PolarHBondContact OG-O 3.46Å; S205-G238 VanDerWaalsContact OG-O 3.13Å
206S87.6Confident77.9Confident45 Ų4538.3 Ų38.332%0.31521%0.213SC..Hα-helixtrans-65.1-41.5-177.9-68.40000112.3C203 A204 H210C203-S206 PolarHBondContact O-N 3.08Å; A204-S206 VanDerWaalsContact C-N 3.33Å; A204-S206 PolarHBondContact O-N 3.06Å; S206-H210 WeakPolarHBondContact O-CB 3.37Å; S206-H210 PolarHBondContact O-N 3.43Å; S206-H210 VanDerWaalsContact O-N 3.09Å
207A89.6Confident81Confident0 Ų033.3 Ų33.30%018%0.183CC..Hα-helixtrans-66.3-44.1176.300000112.1P143 W156 W159 A204 S205 H210 A211P143-A207 HydrophobicContact CB-CB 4.34Å; P143-A207 HydrophobicContact CG-CB 3.66Å; W156-A207 HydrophobicContact CH2-CB 3.91Å; W156-A207 HydrophobicContact CZ3-CB 4.23Å; W159-A207 HydrophobicContact CH2-CB 3.99Å; W159-A207 WeakPolarHBondContact CH2-O 3.5Å; W159-A207 HydrophobicContact CZ2-CB 4.45Å; A204-A207 PolarHBondContact O-N 2.64Å; S205-A207 PolarHBondContact O-N 3.28Å; A207-H210 PolarHBondContact O-N 3.01Å; A207-A211 WeakPolarHBondContact O-CB 3.48Å; A207-A211 PolarHBondContact O-N 3.4Å
208L93Very high83.7Confident0 Ų029.3 Ų29.30%018%0.179CC..Hα-helixtrans-63.9-46.8178.2-68.9167.2000110.7V176 T180 A204 S205 H210 A211 I212 L279 V280 A283V176-L208 HydrophobicContact CB-CD2 3.75Å; V176-L208 HydrophobicContact CG1-CD2 4.29Å; T180-L208 HydrophobicContact CG2-CD2 4.3Å; A204-L208 HydrophobicContact CB-CD1 4.1Å; A204-L208 VanDerWaalsContact O-CB 3.31Å; A204-L208 WeakPolarHBondContact O-CB 3.39Å; A204-L208 WeakPolarHBondContact O-CD1 3.36Å; A204-L208 WeakPolarHBondContact O-CG 3.44Å; A204-L208 PolarHBondContact O-N 2.87Å; S205-L208 PolarHBondContact O-N 3.33Å; L208-H210 VanDerWaalsContact C-N 3.32Å; L208-H210 PolarHBondContact O-N 3.49Å; L208-A211 PolarHBondContact O-N 3.46Å; L208-I212 WeakPolarHBondContact O-CB 3.34Å; L208-I212 WeakPolarHBondContact O-CD1 3.48Å; L208-I212 WeakPolarHBondContact O-CG1 3.31Å; L208-I212 PolarHBondContact O-N 3.36Å; L208-L279 HydrophobicContact CD1-CD1 4.42Å; L208-L279 HydrophobicContact CD1-CD2 3.8Å; L208-L279 HydrophobicContact CD1-CG 3.67Å; L208-V280 HydrophobicContact CD1-CG2 4.29Å; L208-V280 HydrophobicContact CD2-CG2 4.33Å; L208-A283 HydrophobicContact CB-CB 3.48Å; L208-A283 VanDerWaalsContact CB-CB 3.48Å
209S93.5Very high86.4Confident15 Ų1528.9 Ų28.911%0.10517%0.168CC..Hα-helixtrans-61.6-41.3179.8-58.30000111.4S205 S213 A283 D286S205-S209 WeakPolarHBondContact O-CB 3.49Å; S205-S209 PolarHBondContact O-N 2.93Å; S205-S209 PolarHBondContact O-OG 3.37Å; S209-S213 WeakPolarHBondContact O-CB 3.33Å; S209-S213 PolarHBondContact O-N 2.82Å; S209-S213 PolarHBondContact O-OG 3.48Å; S209-A283 VanDerWaalsContact OG-CA 3.28Å; S209-A283 WeakPolarHBondContact OG-CA 2.75Å; S209-A283 WeakPolarHBondContact OG-CB 3.16Å; S209-A283 PolarHBondContact OG-O 3.04Å; S209-D286 WeakPolarHBondContact OG-CB 3.34Å
210H94.2Very high88.6Confident17 Ų1725.8 Ų25.88%0.07915%0.152CC..Hα-helixtrans-65.6-47.3175.2-17471.2000111.8W159 R160 S206 A207 L208 I212 S213 C214W159-H210 HydrophobicContact CH2-CB 4.15Å; W159-H210 AromaticContact CH2-CD2 3.81Å; W159-H210 HydrophobicContact CZ3-CB 4.07Å; W159-H210 AromaticContact CZ3-CD2 3.56Å; R160-H210 VanDerWaalsContact CA-NE2 3.33Å; R160-H210 WeakPolarHBondContact CA-NE2 3.44Å; R160-H210 WeakPolarHBondContact CB-NE2 2.93Å; R160-H210 PolarHBondContact NE-ND1 3.13Å; R160-H210 PolarHBondContact NH2-ND1 3.49Å; R160-H210 PolarHBondContact O-NE2 3.25Å; S206-H210 WeakPolarHBondContact O-CB 3.37Å; S206-H210 PolarHBondContact O-N 3.43Å; S206-H210 VanDerWaalsContact O-N 3.09Å; A207-H210 PolarHBondContact O-N 3.01Å; L208-H210 VanDerWaalsContact C-N 3.32Å; L208-H210 PolarHBondContact O-N 3.49Å; H210-I212 PolarHBondContact O-N 3Å; H210-S213 WeakPolarHBondContact O-CB 3.42Å; H210-S213 PolarHBondContact O-N 3.41Å; H210-C214 VanDerWaalsContact CE1-SG 3.59Å; H210-C214 PolarHBondContact NE2-SG 3.47Å; H210-C214 VanDerWaalsContact NE2-SG 3.36Å; H210-C214 PolarHBondContact O-N 3.49Å; H210-C214 PolarHBondContact O-SG 2.94Å; H210-C214 VanDerWaalsContact O-SG 3.38Å
211A96Very high90.9Very high0 Ų020.4 Ų20.40%012%0.123CC..Hα-helixtrans-59.9-44.417800000112.2C140 L163 V176 A207 L208 S213 C214 F215C140-A211 HydrophobicContact CB-CB 4.07Å; L163-A211 HydrophobicContact CD2-CB 3.83Å; V176-A211 HydrophobicContact CG1-CB 4.41Å; A207-A211 WeakPolarHBondContact O-CB 3.48Å; A207-A211 PolarHBondContact O-N 3.4Å; L208-A211 PolarHBondContact O-N 3.46Å; A211-S213 VanDerWaalsContact C-N 3.32Å; A211-S213 PolarHBondContact O-N 3.01Å; A211-C214 PolarHBondContact O-N 3.03Å; A211-F215 WeakPolarHBondContact O-CD2 3.2Å; A211-F215 PolarHBondContact O-N 3.17Å
212I98Very high92.7Very high0 Ų017.4 Ų17.40%011%0.109CC..Hα-helixtrans-64-39.8176.7-65.2163.2000110.6V176 L208 H210 C214 G216 V280 A283 M284 A287 Y289 I298V176-I212 HydrophobicContact CG1-CG1 3.85Å; L208-I212 WeakPolarHBondContact O-CB 3.34Å; L208-I212 WeakPolarHBondContact O-CD1 3.48Å; L208-I212 WeakPolarHBondContact O-CG1 3.31Å; L208-I212 PolarHBondContact O-N 3.36Å; H210-I212 PolarHBondContact O-N 3Å; I212-C214 PolarHBondContact O-N 3.33Å; I212-G216 VanDerWaalsContact O-CA 3.24Å; I212-G216 WeakPolarHBondContact O-CA 3.44Å; I212-G216 PolarHBondContact O-N 3.09Å; I212-V280 HydrophobicContact CD1-CG1 4.36Å; I212-A283 HydrophobicContact CD1-CB 3.85Å; I212-M284 HydrophobicContact CD1-CG 3.85Å; I212-M284 HydrophobicContact CG2-CG 4.43Å; I212-A287 HydrophobicContact CB-CB 4Å; I212-A287 HydrophobicContact CG2-CB 3.74Å; I212-Y289 HydrophobicContact CG2-CD2 3.64Å; I212-Y289 HydrophobicContact CG2-CE2 4Å; I212-I298 HydrophobicContact CG2-CD1 4.46Å
213S98.1Very high94.1Very high58 Ų5816.8 Ų16.841%0.40611%0.111SC..Hα-helixtrans-61.7-42.1175.3-60.70000112.1S209 H210 A211 A287S209-S213 WeakPolarHBondContact O-CB 3.33Å; S209-S213 PolarHBondContact O-N 2.82Å; S209-S213 PolarHBondContact O-OG 3.48Å; H210-S213 WeakPolarHBondContact O-CB 3.42Å; H210-S213 PolarHBondContact O-N 3.41Å; A211-S213 VanDerWaalsContact C-N 3.32Å; A211-S213 PolarHBondContact O-N 3.01Å; S213-A287 VanDerWaalsContact OG-CB 3.31Å; S213-A287 WeakPolarHBondContact OG-CB 3.36Å
214C98.2Very high94.5Very high23 Ų2317.3 Ų17.316%0.15512%0.115CC..Hα-helixtrans-69.8-48.3179.7-69.90000113.2S167 H210 A211 I212S167-C214 PolarHBondContact OG-O 2.91Å; H210-C214 VanDerWaalsContact CE1-SG 3.59Å; H210-C214 PolarHBondContact NE2-SG 3.47Å; H210-C214 VanDerWaalsContact NE2-SG 3.36Å; H210-C214 PolarHBondContact O-N 3.49Å; H210-C214 PolarHBondContact O-SG 2.94Å; H210-C214 VanDerWaalsContact O-SG 3.38Å; A211-C214 PolarHBondContact O-N 3.03Å; I212-C214 PolarHBondContact O-N 3.33Å
215F98.6Very high94.6Very high8 Ų818.1 Ų18.14%0.03512%0.123CC..Hα-helixtrans-86.6-29.5-173.1-77.7-90.3000113.3L163 V172 C174 A211 R219L163-F215 HydrophobicContact CD1-CE2 3.95Å; L163-F215 HydrophobicContact CG-CE2 4Å; V172-F215 HydrophobicContact CB-CE1 4.28Å; V172-F215 HydrophobicContact CG1-CE1 3.9Å; V172-F215 HydrophobicContact CG1-CZ 4.21Å; C174-F215 HydrophobicContact CB-CB 4.44Å; C174-F215 HydrophobicContact CB-CD1 4.01Å; C174-F215 HydrophobicContact CB-CD2 3.59Å; C174-F215 HydrophobicContact CB-CE1 4.14Å; C174-F215 HydrophobicContact CB-CE2 3.74Å; C174-F215 HydrophobicContact CB-CG 3.74Å; C174-F215 HydrophobicContact CB-CZ 4.01Å; A211-F215 WeakPolarHBondContact O-CD2 3.2Å; A211-F215 PolarHBondContact O-N 3.17Å; F215-R219 HydrophobicContact CB-CB 4.15Å; F215-R219 HydrophobicContact CD1-CB 4.19Å; F215-R219 PolarHBondContact O-NE 2.94Å; F215-R219 PolarHBondContact O-NH2 3.4Å
216G98.5Very high94.4Very high9 Ų919.7 Ų19.79%0.09313%0.128CC..  trans73.6165.2-170.300000112.9I212 G218 R219 C220I212-G216 VanDerWaalsContact O-CA 3.24Å; I212-G216 WeakPolarHBondContact O-CA 3.44Å; I212-G216 PolarHBondContact O-N 3.09Å; G216-G218 PolarHBondContact O-N 3.48Å; G216-G218 VanDerWaalsContact O-N 3.12Å; G216-R219 PolarHBondContact O-N 2.85Å; G216-R219 VanDerWaalsContact O-N 3.09Å; G216-C220 PolarHBondContact O-N 3.38Å
217P98.1Very high94.1Very high12 Ų1218.6 Ų18.68%0.07812%0.12CC..THydrogen-bonded Turntrans-63.7-22.6-176.125.9-35.6000113R219 Y289 D294 K297 I298 N302P217-R219 VanDerWaalsContact C-N 3.31Å; P217-R219 PolarHBondContact O-N 3.25Å; P217-Y289 VanDerWaalsContact CD-CZ 3.41Å; P217-Y289 HydrophobicContact CG-CD1 3.65Å; P217-Y289 HydrophobicContact CG-CE1 3.75Å; P217-Y289 HydrophobicContact CG-CG 4.22Å; P217-D294 HydrophobicContact CB-CB 3.87Å; P217-D294 HydrophobicContact CG-CB 4.21Å; P217-D294 WeakPolarHBondContact CG-OD1 3.39Å; P217-K297 HydrophobicContact CB-CD 4.5Å; P217-K297 VanDerWaalsContact O-CB 3.3Å; P217-K297 WeakPolarHBondContact O-CB 3.38Å; P217-I298 HydrophobicContact CB-CD1 4.07Å; P217-I298 HydrophobicContact CB-CG1 4.2Å; P217-N302 PolarHBondContact O-ND2 3.27Å
218G98.2Very high93.7Very high39 Ų3922.9 Ų22.940%0.40214%0.142SC..THydrogen-bonded Turntrans-75.4-11.517700000115.3G216 N302G216-G218 PolarHBondContact O-N 3.48Å; G216-G218 VanDerWaalsContact O-N 3.12Å; G218-N302 PolarHBondContact O-ND2 2.77Å; G218-N302 PolarHBondContact O-OD1 2.92Å
219R98.4Very high93.2Very high53 Ų5322.9 Ų22.920%0.214%0.142CC..THydrogen-bonded Turntrans-128.42.8179.5-66.6-174.1-61.7154.1-3114.6S167 Y169 V172 Y173 C174 F215 G216 P217S167-R219 PolarHBondContact O-NH1 3.28Å; S167-R219 PolarHBondContact O-NH2 3.21Å; Y169-R219 PolarHBondContact O-NH1 3.42Å; V172-R219 PolarHBondContact O-NH1 2.92Å; Y173-R219 CarbonylContact C-O 3.57Å; Y173-R219 WeakPolarHBondContact CA-O 3.44Å; Y173-R219 WeakPolarHBondContact CB-O 3.22Å; Y173-R219 HydrophobicContact CD1-CB 3.99Å; Y173-R219 HydrophobicContact CD1-CG 4.09Å; Y173-R219 HydrophobicContact CE1-CB 4.44Å; Y173-R219 HydrophobicContact CE1-CG 4.05Å; C174-R219 PolarHBondContact N-O 3.42Å; F215-R219 HydrophobicContact CB-CB 4.15Å; F215-R219 HydrophobicContact CD1-CB 4.19Å; F215-R219 PolarHBondContact O-NE 2.94Å; F215-R219 PolarHBondContact O-NH2 3.4Å; G216-R219 PolarHBondContact O-N 2.85Å; G216-R219 VanDerWaalsContact O-N 3.09Å; P217-R219 VanDerWaalsContact C-N 3.31Å; P217-R219 PolarHBondContact O-N 3.25Å
220C98.5Very high92.6Very high0 Ų027.6 Ų27.60%016%0.157CC..EExtended strand (participates in β ladder)trans-90.2139.5170.1-74.60000111C174 V176 G216 I298 N302C174-C220 CarbonylContact O-C 3.06Å; C174-C220 VanDerWaalsContact O-CA 3.29Å; C174-C220 WeakPolarHBondContact O-CA 3.46Å; V176-C220 HydrophobicContact CG1-CB 4.12Å; V176-C220 HydrophobicContact CG2-CB 4.12Å; G216-C220 PolarHBondContact O-N 3.38Å; C220-I298 HydrophobicContact CB-CD1 3.88Å; C220-I298 HydrophobicContact CB-CG1 3.77Å; C220-N302 PolarHBondContact O-ND2 3.41Å
221L97.8Very high91.9Very high1 Ų131.2 Ų31.21%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-122.2131.2174.8-63.890.6000109V136 Y173 C174 K175 V176 G223 N302 A303 V306 Y307V136-L221 HydrophobicContact CG1-CD1 4.43Å; Y173-L221 HydrophobicContact CD1-CD1 4.02Å; Y173-L221 HydrophobicContact CG-CD1 4.16Å; C174-L221 PolarHBondContact O-N 2.95Å; K175-L221 CarbonylContact C-O 3.54Å; K175-L221 VanDerWaalsContact CA-O 3.3Å; K175-L221 WeakPolarHBondContact CA-O 2.81Å; K175-L221 HydrophobicContact CG-CB 4.21Å; V176-L221 VanDerWaalsContact CG2-O 3.32Å; V176-L221 WeakPolarHBondContact CG2-O 3.28Å; V176-L221 PolarHBondContact N-O 2.83Å; L221-G223 PolarHBondContact O-N 3.29Å; L221-N302 HydrophobicContact CG-CB 4.11Å; L221-A303 HydrophobicContact CD2-CB 4.05Å; L221-V306 HydrophobicContact CD2-CB 4.17Å; L221-V306 HydrophobicContact CD2-CG1 4.38Å; L221-V306 HydrophobicContact CD2-CG2 4.33Å; L221-Y307 HydrophobicContact CD2-CD2 4.14Å; L221-Y307 HydrophobicContact CD2-CE2 3.62Å
222F95.7Very high91Very high36 Ų3631.4 Ų31.416%0.15818%0.178CC..EExtended strand (participates in β ladder)trans-66.2130.6171.1175.6-113.7000110.5V22 L273 A277 V280 I298 F299V22-F222 HydrophobicContact CG2-CE1 4.39Å; F222-L273 HydrophobicContact CE1-CD1 4.08Å; F222-L273 HydrophobicContact CZ-CD1 4.16Å; F222-A277 HydrophobicContact CE1-CB 4.36Å; F222-A277 VanDerWaalsContact CE2-CA 3.48Å; F222-A277 HydrophobicContact CE2-CB 3.99Å; F222-A277 HydrophobicContact CZ-CB 3.77Å; F222-V280 HydrophobicContact CD2-CB 4.36Å; F222-V280 HydrophobicContact CD2-CG2 3.98Å; F222-V280 HydrophobicContact CE2-CG2 4.23Å; F222-I298 HydrophobicContact CB-CG2 4.19Å; F222-I298 PolarHBondContact N-O 3.15Å; F222-F299 HydrophobicContact CB-CD1 3.54Å; F222-F299 HydrophobicContact CB-CE1 3.91Å; F222-F299 HydrophobicContact CB-CG 4.41Å; F222-F299 AromaticContact CD1-CD1 3.91Å; F222-F299 HydrophobicContact CD1-CD1 3.91Å; F222-F299 HydrophobicContact CD1-CE1 4.26Å; F222-F299 HydrophobicContact CD2-CD1 4.02Å; F222-F299 AromaticContact CD2-CE1 3.61Å; F222-F299 HydrophobicContact CD2-CE1 3.61Å; F222-F299 HydrophobicContact CE2-CE1 4.19Å; F222-F299 AromaticContact CG-CD1 3.54Å; F222-F299 HydrophobicContact CG-CD1 3.54Å; F222-F299 AromaticContact CG-CE1 3.65Å; F222-F299 HydrophobicContact CG-CE1 3.65Å
223G92.8Very high90.1Very high14 Ų1436 Ų3614%0.14420%0.199CC..EExtended strand (participates in β ladder)trans-131.2132.5162.800000109.2V176 T177 L221 G225V176-G223 PolarHBondContact O-N 2.85Å; V176-G223 VanDerWaalsContact O-N 3.17Å; T177-G223 WeakPolarHBondContact CA-O 3.21Å; T177-G223 WeakPolarHBondContact CB-O 3.07Å; T177-G223 WeakPolarHBondContact CG2-O 3.3Å; L221-G223 PolarHBondContact O-N 3.29Å; G223-G225 VanDerWaalsContact C-N 3.3Å; G223-G225 PolarHBondContact O-N 3.44Å
224S86.6Confident89.1Confident28 Ų2833.2 Ų33.220%0.19618%0.18CC..  trans-70.9-30.2-179.562.70000113.1W226 C229S224-W226 PolarHBondContact O-N 3.5Å; S224-W226 VanDerWaalsContact OG-CB 3.26Å; S224-W226 WeakPolarHBondContact OG-CB 3.3Å; S224-W226 PolarHBondContact OG-N 2.86Å; S224-C229 WeakPolarHBondContact O-CB 3.36Å
225G87Confident88.1Confident16 Ų1636.5 Ų36.517%0.16520%0.195CC..  trans64.616.1-164.100000112.2G223 P227 I228 C229G223-G225 VanDerWaalsContact C-N 3.3Å; G223-G225 PolarHBondContact O-N 3.44Å; G225-P227 CarbonylContact O-C 3.49Å; G225-I228 CarbonylContact O-C 3.57Å; G225-I228 VanDerWaalsContact O-CA 3.28Å; G225-I228 WeakPolarHBondContact O-CA 3.35Å; G225-I228 VanDerWaalsContact O-CB 3.24Å; G225-I228 WeakPolarHBondContact O-CB 3.28Å; G225-I228 PolarHBondContact O-N 3.04Å; G225-C229 PolarHBondContact O-N 2.92Å
226W84.4Confident87.1Confident39 Ų3936.7 Ų36.715%0.14820%0.196CC..THydrogen-bonded Turntrans-63.4137.4176-171.2104.2000109.3R7 E11 S224 R230R7-W226 HydrophobicContact CG-CH2 4.48Å; E11-W226 HydrophobicContact CB-CH2 4.36Å; E11-W226 HydrophobicContact CB-CZ2 4.48Å; E11-W226 VanDerWaalsContact CD-CE3 3.42Å; E11-W226 HydrophobicContact CG-CD2 4.14Å; E11-W226 HydrophobicContact CG-CE3 3.66Å; E11-W226 HydrophobicContact CG-CH2 2.93Å; E11-W226 HydrophobicContact CG-CZ2 3.33Å; E11-W226 HydrophobicContact CG-CZ3 3.16Å; E11-W226 WeakPolarHBondContact OE1-CH2 3.43Å; E11-W226 WeakPolarHBondContact OE1-CZ3 3.41Å; S224-W226 PolarHBondContact O-N 3.5Å; S224-W226 VanDerWaalsContact OG-CB 3.26Å; S224-W226 WeakPolarHBondContact OG-CB 3.3Å; S224-W226 PolarHBondContact OG-N 2.86Å; W226-R230 VanDerWaalsContact CZ2-NH1 3.29Å
227P80.2Confident86.3Confident22 Ų2236.2 Ų36.214%0.14319%0.192CC..THydrogen-bonded Turncis-90.1-2.92.731-28.9000113.8G225 C229 R230G225-P227 CarbonylContact O-C 3.49Å; P227-C229 PolarHBondContact O-N 3.48Å; P227-R230 VanDerWaalsContact O-CB 3.29Å; P227-R230 WeakPolarHBondContact O-CB 3.44Å; P227-R230 WeakPolarHBondContact O-CG 3.39Å; P227-R230 PolarHBondContact O-N 2.82Å; P227-R230 PolarHBondContact O-NE 3.11Å
228I82.4Confident85.5Confident90 Ų9037.3 Ų37.346%0.46221%0.205SC..G310 helixtrans-58.8-32.1-177.6-56.6-57.1000111.3G225 R230 L231 F232G225-I228 CarbonylContact O-C 3.57Å; G225-I228 VanDerWaalsContact O-CA 3.28Å; G225-I228 WeakPolarHBondContact O-CA 3.35Å; G225-I228 VanDerWaalsContact O-CB 3.24Å; G225-I228 WeakPolarHBondContact O-CB 3.28Å; G225-I228 PolarHBondContact O-N 3.04Å; I228-R230 PolarHBondContact O-N 2.81Å; I228-L231 HydrophobicContact CD1-CD1 4.34Å; I228-L231 HydrophobicContact CG2-CD1 4.13Å; I228-L231 VanDerWaalsContact O-CB 3.26Å; I228-L231 WeakPolarHBondContact O-CB 3.4Å; I228-L231 WeakPolarHBondContact O-CG 3.46Å; I228-L231 PolarHBondContact O-N 2.84Å; I228-F232 HydrophobicContact CG2-CE2 4.46Å
229C81.3Confident84.7Confident0 Ų036.3 Ų36.30%019%0.19CC..G310 helixtrans-52.6-30.4173.6690000113A179 S224 G225 P227 L231 F232 L271 T276A179-C229 HydrophobicContact CB-CB 4.26Å; S224-C229 WeakPolarHBondContact O-CB 3.36Å; G225-C229 PolarHBondContact O-N 2.92Å; P227-C229 PolarHBondContact O-N 3.48Å; C229-L231 PolarHBondContact O-N 3.32Å; C229-L231 VanDerWaalsContact O-N 3.12Å; C229-F232 PolarHBondContact O-N 3.5Å; C229-F232 VanDerWaalsContact O-N 3.09Å; C229-L271 HydrophobicContact CB-CB 4.36Å; C229-L271 WeakPolarHBondContact O-CB 3.3Å; C229-L271 PolarHBondContact SG-O 3.37Å; C229-L271 VanDerWaalsContact SG-O 3.37Å; C229-T276 HydrophobicContact CB-CG2 3.69Å
230R81.1Confident83.4Confident114 Ų11438.8 Ų38.843%0.4321%0.212SC..G310 helixtrans-69.9-7.8179.6-58-175.6-60.8-159.65.1113.8W226 P227 I228 V270 L271W226-R230 VanDerWaalsContact CZ2-NH1 3.29Å; P227-R230 VanDerWaalsContact O-CB 3.29Å; P227-R230 WeakPolarHBondContact O-CB 3.44Å; P227-R230 WeakPolarHBondContact O-CG 3.39Å; P227-R230 PolarHBondContact O-N 2.82Å; P227-R230 PolarHBondContact O-NE 3.11Å; I228-R230 PolarHBondContact O-N 2.81Å; R230-V270 HydrophobicContact CB-CB 4.24Å; R230-V270 HydrophobicContact CB-CG2 4.33Å; R230-V270 HydrophobicContact CG-CG2 4.47Å; R230-V270 WeakPolarHBondContact O-CB 3.43Å; R230-V270 WeakPolarHBondContact O-CG1 3.34Å; R230-L271 WeakPolarHBondContact CG-O 3.44Å
231L79.4Confident82.1Confident93 Ų9343.5 Ų43.549%0.48723%0.234SC..G310 helixtrans-79.6-12.5174-57.3178.6000112I183 I228 C229I183-L231 HydrophobicContact CD1-CB 4.08Å; I183-L231 HydrophobicContact CD1-CD1 3.28Å; I183-L231 HydrophobicContact CD1-CG 4.29Å; I228-L231 HydrophobicContact CD1-CD1 4.34Å; I228-L231 HydrophobicContact CG2-CD1 4.13Å; I228-L231 VanDerWaalsContact O-CB 3.26Å; I228-L231 WeakPolarHBondContact O-CB 3.4Å; I228-L231 WeakPolarHBondContact O-CG 3.46Å; I228-L231 PolarHBondContact O-N 2.84Å; C229-L231 PolarHBondContact O-N 3.32Å; C229-L231 VanDerWaalsContact O-N 3.12Å
232F78.7Confident80.9Confident5 Ų544 Ų442%0.02224%0.236CC..SBendtrans-106.3145.4179.8-56.1-81.8000111.6A179 I183 I199 W202 I228 C229 V270 L271A179-F232 HydrophobicContact CB-CD2 4.23Å; A179-F232 HydrophobicContact CB-CE2 3.77Å; I183-F232 HydrophobicContact CG1-CZ 4.48Å; I199-F232 HydrophobicContact CG2-CD1 4.01Å; I199-F232 HydrophobicContact CG2-CE1 4.37Å; W202-F232 AromaticContact CD2-CD1 3.85Å; W202-F232 HydrophobicContact CD2-CD1 3.85Å; W202-F232 AromaticContact CD2-CE1 3.99Å; W202-F232 HydrophobicContact CD2-CE1 3.99Å; W202-F232 HydrophobicContact CE3-CB 4.28Å; W202-F232 AromaticContact CE3-CD1 3.49Å; W202-F232 HydrophobicContact CE3-CD1 3.49Å; W202-F232 VanDerWaalsContact CE3-CD1 3.49Å; W202-F232 HydrophobicContact CE3-CE1 4.12Å; W202-F232 HydrophobicContact CE3-CG 4.1Å; W202-F232 HydrophobicContact CH2-CB 3.8Å; W202-F232 AromaticContact CH2-CD1 3.74Å; W202-F232 HydrophobicContact CH2-CD1 3.74Å; W202-F232 HydrophobicContact CH2-CD2 4.11Å; W202-F232 HydrophobicContact CH2-CE1 4.33Å; W202-F232 AromaticContact CH2-CG 3.6Å; W202-F232 HydrophobicContact CH2-CG 3.6Å; W202-F232 HydrophobicContact CZ2-CD1 4.04Å; W202-F232 HydrophobicContact CZ2-CD2 4.45Å; W202-F232 HydrophobicContact CZ2-CE1 4.17Å; W202-F232 HydrophobicContact CZ2-CG 4.18Å; W202-F232 HydrophobicContact CZ2-CZ 4.44Å; W202-F232 HydrophobicContact CZ3-CB 3.51Å; W202-F232 AromaticContact CZ3-CD1 3.48Å; W202-F232 HydrophobicContact CZ3-CD1 3.48Å; W202-F232 VanDerWaalsContact CZ3-CD1 3.48Å; W202-F232 HydrophobicContact CZ3-CE1 4.34Å; W202-F232 AromaticContact CZ3-CG 3.58Å; W202-F232 HydrophobicContact CZ3-CG 3.58Å; I228-F232 HydrophobicContact CG2-CE2 4.46Å; C229-F232 PolarHBondContact O-N 3.5Å; C229-F232 VanDerWaalsContact O-N 3.09Å; F232-V270 WeakPolarHBondContact O-CA 2.98Å; F232-L271 HydrophobicContact CB-CD1 3.94Å; F232-L271 HydrophobicContact CB-CG 4.39Å; F232-L271 PolarHBondContact O-N 3.3Å
233Q78.1Confident79.4Confident95 Ų9542.2 Ų42.244%0.44423%0.229SC..  trans-93.1150.7174.2-57.7-173.129.300110.8N235 Q236 K269Q233-N235 VanDerWaalsContact C-N 3.33Å; Q233-N235 WeakPolarHBondContact CB-OD1 3.43Å; Q233-N235 PolarHBondContact O-N 3.47Å; Q233-Q236 HydrophobicContact CB-CG 4.13Å; Q233-Q236 WeakPolarHBondContact O-CB 3.47Å; Q233-Q236 PolarHBondContact O-N 2.97Å; Q233-K269 WeakPolarHBondContact CG-O 3.5Å
234P77.7Confident78.3Confident1 Ų142.4 Ų42.41%0.00623%0.227CC..G310 helixtrans-59.7-37.4-178-24.434.5000114.4Q236 T237 Q242 L271 E275P234-Q236 PolarHBondContact O-N 3.11Å; P234-Q236 VanDerWaalsContact O-N 3.1Å; P234-T237 WeakPolarHBondContact O-CG2 3.11Å; P234-T237 PolarHBondContact O-N 3.48Å; P234-T237 VanDerWaalsContact O-N 3.1Å; P234-T237 PolarHBondContact O-OG1 3.01Å; P234-Q242 VanDerWaalsContact C-OE1 3.23Å; P234-Q242 HydrophobicContact CB-CB 3.74Å; P234-Q242 HydrophobicContact CB-CG 4.23Å; P234-Q242 VanDerWaalsContact CB-OE1 3.29Å; P234-Q242 PolarHBondContact O-OE1 2.99Å; P234-L271 HydrophobicContact CB-CD2 4.3Å; P234-L271 HydrophobicContact CG-CD2 4.26Å; P234-E275 VanDerWaalsContact CG-OE1 3.3Å; P234-E275 WeakPolarHBondContact CG-OE1 3.33Å
235N76.4Confident77.4Confident91 Ų9142.5 Ų42.549%0.48723%0.23SC..G310 helixtrans-61.9-19.1175.856-17.7000114.4Q233 T237 T244Q233-N235 VanDerWaalsContact C-N 3.33Å; Q233-N235 WeakPolarHBondContact CB-OD1 3.43Å; Q233-N235 PolarHBondContact O-N 3.47Å; N235-T237 VanDerWaalsContact C-N 3.3Å; N235-T244 HydrophobicContact CB-CG2 3.64Å
236Q78.8Confident76.8Confident12 Ų1244.9 Ų44.96%0.05624%0.244CC..G310 helixtrans-86.1-4.1-179.7-55.1171.4-43.600111.9I199 W202 Q233 P234 G238I199-Q236 HydrophobicContact CG2-CG 4.43Å; I199-Q236 VanDerWaalsContact CG2-OE1 3.31Å; W202-Q236 CarbonylContact C-O 3.52Å; W202-Q236 HydrophobicContact CE3-CB 3.63Å; W202-Q236 HydrophobicContact CZ3-CB 4.05Å; Q233-Q236 HydrophobicContact CB-CG 4.13Å; Q233-Q236 WeakPolarHBondContact O-CB 3.47Å; Q233-Q236 PolarHBondContact O-N 2.97Å; P234-Q236 PolarHBondContact O-N 3.11Å; P234-Q236 VanDerWaalsContact O-N 3.1Å; Q236-G238 VanDerWaalsContact C-N 3.33Å
237T81Confident76.2Confident0 Ų044.6 Ų44.60%025%0.245CC..G310 helixtrans-80.8-17-177.265.50000113.4W202 C203 A204 S205 P234 N235 W239 Q242 L271 L279W202-T237 HydrophobicContact CH2-CG2 4.25Å; W202-T237 HydrophobicContact CZ3-CG2 3.99Å; C203-T237 CarbonylContact C-O 3.59Å; A204-T237 PolarHBondContact N-O 2.78Å; S205-T237 WeakPolarHBondContact CB-O 3.22Å; S205-T237 PolarHBondContact N-O 2.94Å; S205-T237 PolarHBondContact OG-O 3.49Å; P234-T237 WeakPolarHBondContact O-CG2 3.11Å; P234-T237 PolarHBondContact O-N 3.48Å; P234-T237 VanDerWaalsContact O-N 3.1Å; P234-T237 PolarHBondContact O-OG1 3.01Å; N235-T237 VanDerWaalsContact C-N 3.3Å; T237-W239 PolarHBondContact O-N 3.33Å; T237-W239 PolarHBondContact OG1-N 2.79Å; T237-Q242 PolarHBondContact OG1-OE1 3.22Å; T237-L271 HydrophobicContact CG2-CD1 3.69Å; T237-L271 HydrophobicContact CG2-CD2 3.82Å; T237-L271 HydrophobicContact CG2-CG 4.25Å; T237-L279 HydrophobicContact CG2-CD2 3.86Å
238G80.5Confident75.6Confident35 Ų3547.1 Ų47.136%0.36126%0.257SS..  trans71.59.5-169.600000114.4S205 Q236 P240S205-G238 PolarHBondContact OG-O 3.46Å; S205-G238 VanDerWaalsContact OG-O 3.13Å; Q236-G238 VanDerWaalsContact C-N 3.33Å; G238-P240 WeakPolarHBondContact O-CD 3.31Å
239W81.5Confident75.2Confident18 Ų1850.9 Ų50.97%0.06827%0.273CS..  trans-91.9111.2171.5177.527000110.1T237 E241 Q242 I257 R278 L279 H282T237-W239 PolarHBondContact O-N 3.33Å; T237-W239 PolarHBondContact OG1-N 2.79Å; W239-E241 VanDerWaalsContact C-N 3.26Å; W239-E241 HydrophobicContact CZ2-CB 3.98Å; W239-E241 PolarHBondContact O-N 3.06Å; W239-E241 VanDerWaalsContact O-N 3.15Å; W239-Q242 HydrophobicContact CB-CG 4.47Å; W239-Q242 HydrophobicContact CD2-CG 3.85Å; W239-Q242 HydrophobicContact CE3-CG 3.28Å; W239-Q242 HydrophobicContact CG-CG 4.4Å; W239-Q242 HydrophobicContact CH2-CG 4.41Å; W239-Q242 HydrophobicContact CZ3-CG 3.58Å; W239-Q242 PolarHBondContact O-N 2.84Å; W239-I257 HydrophobicContact CH2-CD1 4.05Å; W239-I257 HydrophobicContact CZ2-CD1 4.17Å; W239-R278 HydrophobicContact CH2-CB 3.49Å; W239-R278 VanDerWaalsContact CH2-CB 3.49Å; W239-R278 HydrophobicContact CH2-CG 4.36Å; W239-R278 HydrophobicContact CZ3-CB 3.43Å; W239-R278 VanDerWaalsContact CZ3-CB 3.43Å; W239-L279 HydrophobicContact CB-CD1 3.75Å; W239-L279 HydrophobicContact CE3-CB 4.21Å; W239-L279 HydrophobicContact CG-CD1 4.5Å; W239-H282 AromaticContact CD1-CD2 3.11Å; W239-H282 AromaticContact CD1-CE1 3.75Å; W239-H282 AromaticContact CD1-CG 3.29Å; W239-H282 AromaticContact CD1-ND1 3.69Å; W239-H282 AromaticContact CD1-NE2 3.38Å; W239-H282 HydrophobicContact CD2-CB 4.12Å; W239-H282 HydrophobicContact CG-CB 4.16Å; W239-H282 AromaticContact CG-CD2 3.42Å; W239-H282 VanDerWaalsContact CG-CD2 3.42Å; W239-H282 AromaticContact CG-CG 3.82Å; W239-H282 AromaticContact NE1-CD2 3.88Å; W239-H282 AromaticContact NE1-CG 3.56Å; W239-H282 AromaticContact NE1-ND1 3.82Å
240P72.1Confident75.2Confident104 Ų10454.7 Ų54.768%0.67530%0.296SS*.THydrogen-bonded Turntrans-65.2-18.9-170.421.2-34.6000115.9G238 Q242G238-P240 WeakPolarHBondContact O-CD 3.31Å; P240-Q242 VanDerWaalsContact C-N 3.33Å
241E71.5Confident74.9Confident99 Ų9954.1 Ų54.146%0.46331%0.309SS..THydrogen-bonded Turntrans-90.97.6-178.8-56.7-174.9167.100113.7W239 A243W239-E241 VanDerWaalsContact C-N 3.26Å; W239-E241 HydrophobicContact CZ2-CB 3.98Å; W239-E241 PolarHBondContact O-N 3.06Å; W239-E241 VanDerWaalsContact O-N 3.15Å; E241-A243 PolarHBondContact O-N 2.6Å
242Q72.4Confident74.8Confident11 Ų1155.3 Ų55.35%0.05132%0.315CS..  trans-83.5112.5174.9-84-171.9-6.700111.5P234 T237 W239 P240P234-Q242 VanDerWaalsContact C-OE1 3.23Å; P234-Q242 HydrophobicContact CB-CB 3.74Å; P234-Q242 HydrophobicContact CB-CG 4.23Å; P234-Q242 VanDerWaalsContact CB-OE1 3.29Å; P234-Q242 PolarHBondContact O-OE1 2.99Å; T237-Q242 PolarHBondContact OG1-OE1 3.22Å; W239-Q242 HydrophobicContact CB-CG 4.47Å; W239-Q242 HydrophobicContact CD2-CG 3.85Å; W239-Q242 HydrophobicContact CE3-CG 3.28Å; W239-Q242 HydrophobicContact CG-CG 4.4Å; W239-Q242 HydrophobicContact CH2-CG 4.41Å; W239-Q242 HydrophobicContact CZ3-CG 3.58Å; W239-Q242 PolarHBondContact O-N 2.84Å; P240-Q242 VanDerWaalsContact C-N 3.33Å
243A64.1Low74.5Confident0 Ų057.5 Ų57.50%033%0.327CS..  trans-71.2146.5168.600000112.6E241 D247 I253 P254 A258 L268E241-A243 PolarHBondContact O-N 2.6Å; A243-D247 VanDerWaalsContact CA-OD2 3.24Å; A243-D247 WeakPolarHBondContact CA-OD2 3.37Å; A243-D247 HydrophobicContact CB-CB 4.09Å; A243-I253 HydrophobicContact CB-CG2 3.73Å; A243-P254 HydrophobicContact CB-CG 4.04Å; A243-A258 HydrophobicContact CB-CB 3.19Å; A243-L268 HydrophobicContact CB-CD1 3.91Å
244T69Low74.2Confident17 Ų1755.2 Ų55.210%0.10432%0.32CS..  trans-107.4172.6-175.965.10000110.7N235 S246 D247 L268N235-T244 HydrophobicContact CB-CG2 3.64Å; T244-S246 VanDerWaalsContact C-N 3.26Å; T244-S246 PolarHBondContact O-N 2.8Å; T244-S246 PolarHBondContact OG1-N 2.87Å; T244-S246 PolarHBondContact OG1-OG 2.97Å; T244-D247 WeakPolarHBondContact CB-OD2 3.06Å; T244-D247 PolarHBondContact N-OD2 2.8Å; T244-D247 PolarHBondContact O-N 2.72Å; T244-D247 PolarHBondContact OG1-N 3Å; T244-D247 PolarHBondContact OG1-OD1 2.88Å; T244-D247 PolarHBondContact OG1-OD2 3.49Å; T244-L268 WeakPolarHBondContact O-CD1 3.1Å
245A67.8Low73.8Confident31 Ų3157 Ų5726%0.25634%0.338SS..Hα-helixtrans-64.8-29.7172.300000113.3D247 L248 L268 K269A245-D247 VanDerWaalsContact C-N 3.34Å; A245-L248 PolarHBondContact O-N 3.14Å; A245-L268 PolarHBondContact N-O 3.37Å; A245-K269 HydrophobicContact CB-CG 3.58Å
246S73.8Confident73.6Confident65 Ų6558.8 Ų58.846%0.45534%0.344SS..Hα-helixtrans-67.6-34.9175.135.70000112.1T244 L248 Q249 T250T244-S246 VanDerWaalsContact C-N 3.26Å; T244-S246 PolarHBondContact O-N 2.8Å; T244-S246 PolarHBondContact OG1-N 2.87Å; T244-S246 PolarHBondContact OG1-OG 2.97Å; S246-L248 PolarHBondContact O-N 2.77Å; S246-Q249 WeakPolarHBondContact O-CA 3.36Å; S246-Q249 WeakPolarHBondContact O-CB 3.23Å; S246-Q249 PolarHBondContact O-N 3.28Å; S246-T250 PolarHBondContact O-N 2.98Å; S246-T250 VanDerWaalsContact O-N 3.08Å; S246-T250 PolarHBondContact O-OG1 2.95Å
247D71.8Confident72.9Confident33 Ų3361 Ų6118%0.17636%0.355CS..Hα-helixtrans-64.8-29.6179.4-61.9-26.3000112.6A243 T244 A245 T250 C251 D252A243-D247 VanDerWaalsContact CA-OD2 3.24Å; A243-D247 WeakPolarHBondContact CA-OD2 3.37Å; A243-D247 HydrophobicContact CB-CB 4.09Å; T244-D247 WeakPolarHBondContact CB-OD2 3.06Å; T244-D247 PolarHBondContact N-OD2 2.8Å; T244-D247 PolarHBondContact O-N 2.72Å; T244-D247 PolarHBondContact OG1-N 3Å; T244-D247 PolarHBondContact OG1-OD1 2.88Å; T244-D247 PolarHBondContact OG1-OD2 3.49Å; A245-D247 VanDerWaalsContact C-N 3.34Å; D247-T250 PolarHBondContact O-OG1 3.03Å; D247-C251 CarbonylContact O-C 3.21Å; D247-C251 WeakPolarHBondContact O-CA 3.47Å; D247-C251 PolarHBondContact O-N 3.27Å; D247-D252 VanDerWaalsContact CB-O 3.25Å; D247-D252 WeakPolarHBondContact CB-O 3.44Å; D247-D252 PolarHBondContact O-N 3.24Å; D247-D252 VanDerWaalsContact O-N 3.14Å
248L69.4Low72.1Confident75 Ų7561 Ų6139%0.39336%0.356SS..Hα-helixtrans-69.1-33.2170.3-83.2167.1000112.8A245 S246 I253 A262 L268A245-L248 PolarHBondContact O-N 3.14Å; S246-L248 PolarHBondContact O-N 2.77Å; L248-I253 HydrophobicContact CD2-CD1 4.3Å; L248-A262 HydrophobicContact CD2-CB 3.6Å; L248-L268 HydrophobicContact CD1-CB 4.16Å; L248-L268 HydrophobicContact CD1-CD1 3.44Å; L248-L268 VanDerWaalsContact CD1-CD1 3.44Å; L248-L268 HydrophobicContact CD1-CG 3.62Å; L248-L268 HydrophobicContact CD2-CD1 4.27Å; L248-L268 HydrophobicContact CG-CD1 3.48Å; L248-L268 VanDerWaalsContact CG-CD1 3.48Å; L248-L268 HydrophobicContact CG-CG 4.24Å
249Q73.9Confident71.6Confident169 Ų16960.6 Ų60.679%0.7935%0.349SS*.Hα-helixtrans-73.9-38.9-179.4-65.6-179.9-4.800111.2S246 C251S246-Q249 WeakPolarHBondContact O-CA 3.36Å; S246-Q249 WeakPolarHBondContact O-CB 3.23Å; S246-Q249 PolarHBondContact O-N 3.28Å; Q249-C251 VanDerWaalsContact C-N 3.3Å
250T81.4Confident71.1Confident81 Ų8164.3 Ų64.350%0.49737%0.365SS..Hα-helixtrans-81.3-12.4176.657.30000112.9S246 D247 D252S246-T250 PolarHBondContact O-N 2.98Å; S246-T250 VanDerWaalsContact O-N 3.08Å; S246-T250 PolarHBondContact O-OG1 2.95Å; D247-T250 PolarHBondContact O-OG1 3.03Å; T250-D252 PolarHBondContact O-N 2.98Å; T250-D252 PolarHBondContact OG1-N 3.37Å
251C74.8Confident70.8Confident102 Ų10260.5 Ų60.569%0.68934%0.338SS*.SBendtrans61.111.2-167.8-61.30000114.1D247 Q249 I253D247-C251 CarbonylContact O-C 3.21Å; D247-C251 WeakPolarHBondContact O-CA 3.47Å; D247-C251 PolarHBondContact O-N 3.27Å; Q249-C251 VanDerWaalsContact C-N 3.3Å; C251-I253 PolarHBondContact O-N 3.4Å
252D76.1Confident70.5Confident118 Ų11857 Ų5763%0.63133%0.325SS*.  trans-9481.4176.1-72.2-38.5000109.3D247 T250 P254D247-D252 VanDerWaalsContact CB-O 3.25Å; D247-D252 WeakPolarHBondContact CB-O 3.44Å; D247-D252 PolarHBondContact O-N 3.24Å; D247-D252 VanDerWaalsContact O-N 3.14Å; T250-D252 PolarHBondContact O-N 2.98Å; T250-D252 PolarHBondContact OG1-N 3.37Å; D252-P254 VanDerWaalsContact O-CD 3.22Å; D252-P254 WeakPolarHBondContact O-CD 3.3Å
253I71.8Confident70.6Confident51 Ų5165.2 Ų65.226%0.26236%0.356SS..  trans-90.2110.4-177.7-58.3160.7000109.7A243 L248 C251 A258 A259 A262A243-I253 HydrophobicContact CB-CG2 3.73Å; L248-I253 HydrophobicContact CD2-CD1 4.3Å; C251-I253 PolarHBondContact O-N 3.4Å; I253-A258 HydrophobicContact CG2-CB 3.72Å; I253-A259 HydrophobicContact CG2-CB 4.17Å; I253-A262 HydrophobicContact CD1-CB 3.35Å; I253-A262 HydrophobicContact CG1-CB 4.41Å
254P72.4Confident70.8Confident47 Ų4774.5 Ų74.531%0.30539%0.391SS..  trans-70.7135.2-179.627.9-36000111.8A243 D252 A258A243-P254 HydrophobicContact CB-CG 4.04Å; D252-P254 VanDerWaalsContact O-CD 3.22Å; D252-P254 WeakPolarHBondContact O-CD 3.3Å; P254-A258 WeakPolarHBondContact O-CB 3.44Å
255G70Confident70.8Confident37 Ų3779 Ų7938%0.38142%0.423SS..SBendtrans74.1157.3171.500000115.4I257 A259G255-I257 PolarHBondContact O-N 3.48Å; G255-A259 WeakPolarHBondContact O-CB 3.02Å; G255-A259 PolarHBondContact O-N 3.02Å
256E70.9Confident70.6Confident130 Ų13079.7 Ų79.761%0.60742%0.424SS*.Hα-helixtrans-68.1-37.1-175.4-164.5-166.9159.300112.4A259 K260E256-A259 PolarHBondContact O-N 2.83Å; E256-K260 WeakPolarHBondContact O-CG 3.38Å; E256-K260 PolarHBondContact O-N 2.84Å; E256-K260 WeakPolarHBondContact OE1-CE 3.38Å; E256-K260 IonicContact OE1-NZ 3.49Å; E256-K260 PolarHBondContact OE1-NZ 3.35Å
257I64.5Low70.3Confident57 Ų5780.7 Ų80.729%0.29243%0.429SS..Hα-helixtrans-63.6-47.6-178.2-66.8173.8000110W239 G255 K260 R261W239-I257 HydrophobicContact CH2-CD1 4.05Å; W239-I257 HydrophobicContact CZ2-CD1 4.17Å; G255-I257 PolarHBondContact O-N 3.48Å; I257-K260 WeakPolarHBondContact O-CB 3.32Å; I257-K260 PolarHBondContact O-N 2.86Å; I257-R261 PolarHBondContact O-N 3.26Å; I257-R261 VanDerWaalsContact O-N 3.09Å
258A65.3Low70.2Confident1 Ų179.3 Ų79.31%0.00842%0.421CS..Hα-helixtrans-71-35.8-176.500000111.4A243 I253 P254 K260 R261 A262A243-A258 HydrophobicContact CB-CB 3.19Å; I253-A258 HydrophobicContact CG2-CB 3.72Å; P254-A258 WeakPolarHBondContact O-CB 3.44Å; A258-K260 VanDerWaalsContact C-N 3.29Å; A258-K260 PolarHBondContact O-N 2.97Å; A258-R261 WeakPolarHBondContact O-CB 3.5Å; A258-R261 PolarHBondContact O-N 3.07Å; A258-R261 VanDerWaalsContact O-N 3.08Å; A258-A262 PolarHBondContact O-N 3.45Å
259A69.8Low70.5Confident26 Ų2682.7 Ų82.722%0.21543%0.433CS..Hα-helixtrans-62.5-33.3170.900000112.8I253 G255 E256 R263I253-A259 HydrophobicContact CG2-CB 4.17Å; G255-A259 WeakPolarHBondContact O-CB 3.02Å; G255-A259 PolarHBondContact O-N 3.02Å; E256-A259 PolarHBondContact O-N 2.83Å; A259-R263 WeakPolarHBondContact O-CG 3.24Å; A259-R263 PolarHBondContact O-N 3.44Å; A259-R263 PolarHBondContact O-NE 2.93Å; A259-R263 VanDerWaalsContact O-NE 3.1Å
260K70Confident70.7Confident97 Ų9777 Ų7742%0.42241%0.41SS..Hα-helixtrans-69.3-35.8172.2-75.8173.7-176.2165.60112.1E256 I257 A258 R264E256-K260 WeakPolarHBondContact O-CG 3.38Å; E256-K260 PolarHBondContact O-N 2.84Å; E256-K260 WeakPolarHBondContact OE1-CE 3.38Å; E256-K260 IonicContact OE1-NZ 3.49Å; E256-K260 PolarHBondContact OE1-NZ 3.35Å; I257-K260 WeakPolarHBondContact O-CB 3.32Å; I257-K260 PolarHBondContact O-N 2.86Å; A258-K260 VanDerWaalsContact C-N 3.29Å; A258-K260 PolarHBondContact O-N 2.97Å; K260-R264 WeakPolarHBondContact O-CG 3.1Å; K260-R264 PolarHBondContact O-N 3.23Å
261R65.8Low70.6Confident24 Ų2473.2 Ų73.29%0.09139%0.386CS..Hα-helixtrans-65-49.3177-70.9175.362.9-168.29.3112.5I257 A258 R263 R264 S265 V266 P267 L268 E275I257-R261 PolarHBondContact O-N 3.26Å; I257-R261 VanDerWaalsContact O-N 3.09Å; A258-R261 WeakPolarHBondContact O-CB 3.5Å; A258-R261 PolarHBondContact O-N 3.07Å; A258-R261 VanDerWaalsContact O-N 3.08Å; R261-R263 PolarHBondContact O-N 3.39Å; R261-R264 CarbonylContact O-C 3.58Å; R261-R264 WeakPolarHBondContact O-CA 3.43Å; R261-R264 PolarHBondContact O-N 3.31Å; R261-S265 PolarHBondContact O-N 3.13Å; R261-V266 HydrophobicContact CB-CB 4.32Å; R261-V266 PolarHBondContact O-N 3.31Å; R261-P267 PolarHBondContact NH2-O 3.33Å; R261-L268 HydrophobicContact CB-CD2 3.67Å; R261-L268 HydrophobicContact CG-CD2 4.46Å; R261-E275 IonicContact CZ-OE1 2.9Å; R261-E275 IonicContact CZ-OE2 3.91Å; R261-E275 IonicContact NH1-OE1 3.23Å; R261-E275 PolarHBondContact NH1-OE1 3.15Å; R261-E275 IonicContact NH2-OE1 3.35Å; R261-E275 PolarHBondContact NH2-OE1 2.87Å; R261-E275 IonicContact NH2-OE2 2.72Å; R261-E275 PolarHBondContact NH2-OE2 3.48Å
262A66.4Low70.7Confident24 Ų2469.2 Ų69.220%0.19836%0.358CS..Hα-helixtrans-53.9-43.6177.800000111.4L248 I253 A258 R264 S265L248-A262 HydrophobicContact CD2-CB 3.6Å; I253-A262 HydrophobicContact CD1-CB 3.35Å; I253-A262 HydrophobicContact CG1-CB 4.41Å; A258-A262 PolarHBondContact O-N 3.45Å; A262-R264 VanDerWaalsContact C-N 3.25Å; A262-R264 PolarHBondContact O-N 3.24Å; A262-S265 PolarHBondContact O-N 3.3Å
263R73.8Confident70.9Confident185 Ų18563.9 Ų63.970%0.69833%0.329SS*.Hα-helixtrans-65-23176.5-75.3-175.8-79.9-173.7-5.7114.6A259 R261A259-R263 WeakPolarHBondContact O-CG 3.24Å; A259-R263 PolarHBondContact O-N 3.44Å; A259-R263 PolarHBondContact O-NE 2.93Å; A259-R263 VanDerWaalsContact O-NE 3.1Å; R261-R263 PolarHBondContact O-N 3.39Å
264R68.6Low71.2Confident195 Ų19567.1 Ų67.174%0.73634%0.339SS*.THydrogen-bonded Turntrans-100.18.1-179.6-70.9-177.3174.9-173-1.4113.2K260 R261 A262 V266K260-R264 WeakPolarHBondContact O-CG 3.1Å; K260-R264 PolarHBondContact O-N 3.23Å; R261-R264 CarbonylContact O-C 3.58Å; R261-R264 WeakPolarHBondContact O-CA 3.43Å; R261-R264 PolarHBondContact O-N 3.31Å; A262-R264 VanDerWaalsContact C-N 3.25Å; A262-R264 PolarHBondContact O-N 3.24Å; R264-V266 HydrophobicContact CB-CG2 4.03Å; R264-V266 PolarHBondContact O-N 2.87Å; R264-V266 VanDerWaalsContact O-N 3.17Å
265S68.8Low71.6Confident111 Ų11165.2 Ų65.278%0.77633%0.326SS*.THydrogen-bonded Turntrans56.528.4-177.6-53.60000113.8R261 A262R261-S265 PolarHBondContact O-N 3.13Å; A262-S265 PolarHBondContact O-N 3.3Å
266V64.5Low72.3Confident46 Ų4663.5 Ų63.528%0.27931%0.307SS..  trans-76.4127.2174.4-179.90000108.1R261 R264 L268 N272R261-V266 HydrophobicContact CB-CB 4.32Å; R261-V266 PolarHBondContact O-N 3.31Å; R264-V266 HydrophobicContact CB-CG2 4.03Å; R264-V266 PolarHBondContact O-N 2.87Å; R264-V266 VanDerWaalsContact O-N 3.17Å; V266-L268 PolarHBondContact O-N 3.44Å; V266-N272 WeakPolarHBondContact CG1-ND2 3.46Å
267P67.5Low73.2Confident86 Ų8658 Ų5856%0.55828%0.284SS*.  trans-55.5128.6178-25.133.8000111.6R261R261-P267 PolarHBondContact NH2-O 3.33Å
268L69.3Low74.2Confident3 Ų359.2 Ų59.22%0.01629%0.285CS..SBendtrans-94.39.1174.5-52.9-171.3000113.2A243 T244 A245 L248 R261 V266A243-L268 HydrophobicContact CB-CD1 3.91Å; T244-L268 WeakPolarHBondContact O-CD1 3.1Å; A245-L268 PolarHBondContact N-O 3.37Å; L248-L268 HydrophobicContact CD1-CB 4.16Å; L248-L268 HydrophobicContact CD1-CD1 3.44Å; L248-L268 VanDerWaalsContact CD1-CD1 3.44Å; L248-L268 HydrophobicContact CD1-CG 3.62Å; L248-L268 HydrophobicContact CD2-CD1 4.27Å; L248-L268 HydrophobicContact CG-CD1 3.48Å; L248-L268 VanDerWaalsContact CG-CD1 3.48Å; L248-L268 HydrophobicContact CG-CG 4.24Å; R261-L268 HydrophobicContact CB-CD2 3.67Å; R261-L268 HydrophobicContact CG-CD2 4.46Å; V266-L268 PolarHBondContact O-N 3.44Å
269K75.5Confident75.3Confident146 Ų14659.1 Ų59.164%0.63529%0.285SS*.SBendtrans-87-22.7-176.1-71.3-179.4-179.1-172.40113.3Q233 A245Q233-K269 WeakPolarHBondContact CG-O 3.5Å; A245-K269 HydrophobicContact CB-CG 3.58Å
270V77.4Confident76.4Confident51 Ų5157.9 Ų57.931%0.30928%0.275SS..SBendtrans-142.8151.2-172.4-60.40000109.6R230 F232 E275R230-V270 HydrophobicContact CB-CB 4.24Å; R230-V270 HydrophobicContact CB-CG2 4.33Å; R230-V270 HydrophobicContact CG-CG2 4.47Å; R230-V270 WeakPolarHBondContact O-CB 3.43Å; R230-V270 WeakPolarHBondContact O-CG1 3.34Å; F232-V270 WeakPolarHBondContact O-CA 2.98Å; V270-E275 VanDerWaalsContact O-OE2 3.09Å
271L78.9Confident77.4Confident0 Ų055.5 Ų55.50%027%0.265CS..  trans-70.5131.3171.9-64.2176.6000111.6W202 C229 R230 F232 P234 T237 E275 T276W202-L271 HydrophobicContact CH2-CD1 4.07Å; W202-L271 HydrophobicContact CZ3-CD1 4.42Å; C229-L271 HydrophobicContact CB-CB 4.36Å; C229-L271 WeakPolarHBondContact O-CB 3.3Å; C229-L271 PolarHBondContact SG-O 3.37Å; C229-L271 VanDerWaalsContact SG-O 3.37Å; R230-L271 WeakPolarHBondContact CG-O 3.44Å; F232-L271 HydrophobicContact CB-CD1 3.94Å; F232-L271 HydrophobicContact CB-CG 4.39Å; F232-L271 PolarHBondContact O-N 3.3Å; P234-L271 HydrophobicContact CB-CD2 4.3Å; P234-L271 HydrophobicContact CG-CD2 4.26Å; T237-L271 HydrophobicContact CG2-CD1 3.69Å; T237-L271 HydrophobicContact CG2-CD2 3.82Å; T237-L271 HydrophobicContact CG2-CG 4.25Å; L271-E275 WeakPolarHBondContact CA-OE2 3.45Å; L271-E275 HydrophobicContact CD2-CB 3.78Å; L271-T276 HydrophobicContact CB-CG2 4.19Å; L271-T276 HydrophobicContact CD1-CG2 4.34Å
272N77.8Confident78.7Confident18 Ų1856.4 Ų56.410%0.09627%0.27CS..  trans-105.4-177.5167.863.949000112.3V266 W274 E275 T276V266-N272 WeakPolarHBondContact CG1-ND2 3.46Å; N272-W274 VanDerWaalsContact C-N 3.35Å; N272-W274 PolarHBondContact O-N 2.93Å; N272-W274 WeakPolarHBondContact OD1-CA 3.29Å; N272-W274 VanDerWaalsContact OD1-CB 3.32Å; N272-W274 WeakPolarHBondContact OD1-CB 3.24Å; N272-W274 PolarHBondContact OD1-N 3.03Å; N272-E275 PolarHBondContact N-OE2 3.27Å; N272-E275 PolarHBondContact ND2-OE2 3.19Å; N272-E275 PolarHBondContact O-N 3.21Å; N272-E275 PolarHBondContact OD1-N 3.08Å; N272-E275 PolarHBondContact OD1-OE2 3.01Å; N272-T276 WeakPolarHBondContact O-CG2 3.44Å; N272-T276 PolarHBondContact O-N 3.15Å; N272-T276 PolarHBondContact O-OG1 3.19Å
273L80.1Confident79.9Confident6 Ų655.2 Ų55.23%0.03126%0.26CS..Hα-helixtrans-61.1-41.9-177.9-173.562.8000112.9E15 I16 V22 F222 T276 A277E15-L273 HydrophobicContact CB-CB 4.44Å; E15-L273 HydrophobicContact CB-CD2 4.18Å; E15-L273 WeakPolarHBondContact O-CD2 3.45Å; E15-L273 WeakPolarHBondContact OE2-CB 3.28Å; E15-L273 PolarHBondContact OE2-N 2.86Å; I16-L273 HydrophobicContact CG1-CD2 4.12Å; V22-L273 HydrophobicContact CB-CD2 3.58Å; V22-L273 HydrophobicContact CG1-CD2 4.32Å; V22-L273 HydrophobicContact CG2-CD1 4.11Å; V22-L273 HydrophobicContact CG2-CD2 3.39Å; V22-L273 HydrophobicContact CG2-CG 3.8Å; F222-L273 HydrophobicContact CE1-CD1 4.08Å; F222-L273 HydrophobicContact CZ-CD1 4.16Å; L273-T276 PolarHBondContact O-OG1 3.4Å; L273-A277 PolarHBondContact O-N 2.74Å; L273-A277 VanDerWaalsContact O-N 3.09Å
274W78.5Confident81Confident120 Ų12046.4 Ų46.446%0.45523%0.227SC..Hα-helixtrans-62.9-43.1177.4-86.498.5000112.2P21 N272 A277 R278P21-W274 HydrophobicContact CB-CD2 3.9Å; P21-W274 HydrophobicContact CB-CE3 4Å; P21-W274 HydrophobicContact CB-CH2 3.59Å; P21-W274 HydrophobicContact CB-CZ2 3.46Å; P21-W274 VanDerWaalsContact CB-CZ2 3.46Å; P21-W274 HydrophobicContact CB-CZ3 3.85Å; P21-W274 VanDerWaalsContact CD-CZ2 3.47Å; P21-W274 HydrophobicContact CG-CD2 3.51Å; P21-W274 HydrophobicContact CG-CE3 4.1Å; P21-W274 HydrophobicContact CG-CG 3.83Å; P21-W274 HydrophobicContact CG-CH2 4.19Å; P21-W274 HydrophobicContact CG-CZ2 3.6Å; P21-W274 HydrophobicContact CG-CZ3 4.4Å; P21-W274 VanDerWaalsContact CG-NE1 3.34Å; N272-W274 VanDerWaalsContact C-N 3.35Å; N272-W274 PolarHBondContact O-N 2.93Å; N272-W274 WeakPolarHBondContact OD1-CA 3.29Å; N272-W274 VanDerWaalsContact OD1-CB 3.32Å; N272-W274 WeakPolarHBondContact OD1-CB 3.24Å; N272-W274 PolarHBondContact OD1-N 3.03Å; W274-A277 PolarHBondContact O-N 3.34Å; W274-R278 WeakPolarHBondContact O-CB 3.33Å; W274-R278 VanDerWaalsContact O-CG 3.29Å; W274-R278 WeakPolarHBondContact O-CG 3.49Å; W274-R278 PolarHBondContact O-N 3.38Å
275E79.7Confident82.2Confident7 Ų739.3 Ų39.33%0.03321%0.214CC..Hα-helixtrans-67.9-41.2-178.5-70.9169.1102.700112.1P234 R261 V270 L271 N272 A277 R278 L279P234-E275 VanDerWaalsContact CG-OE1 3.3Å; P234-E275 WeakPolarHBondContact CG-OE1 3.33Å; R261-E275 IonicContact CZ-OE1 2.9Å; R261-E275 IonicContact CZ-OE2 3.91Å; R261-E275 IonicContact NH1-OE1 3.23Å; R261-E275 PolarHBondContact NH1-OE1 3.15Å; R261-E275 IonicContact NH2-OE1 3.35Å; R261-E275 PolarHBondContact NH2-OE1 2.87Å; R261-E275 IonicContact NH2-OE2 2.72Å; R261-E275 PolarHBondContact NH2-OE2 3.48Å; V270-E275 VanDerWaalsContact O-OE2 3.09Å; L271-E275 WeakPolarHBondContact CA-OE2 3.45Å; L271-E275 HydrophobicContact CD2-CB 3.78Å; N272-E275 PolarHBondContact N-OE2 3.27Å; N272-E275 PolarHBondContact ND2-OE2 3.19Å; N272-E275 PolarHBondContact O-N 3.21Å; N272-E275 PolarHBondContact OD1-N 3.08Å; N272-E275 PolarHBondContact OD1-OE2 3.01Å; E275-A277 VanDerWaalsContact C-N 3.29Å; E275-A277 PolarHBondContact O-N 2.91Å; E275-R278 PolarHBondContact O-N 3.46Å; E275-L279 VanDerWaalsContact O-CB 3.3Å; E275-L279 WeakPolarHBondContact O-CB 3.48Å; E275-L279 PolarHBondContact O-N 3.45Å
276T86.1Confident83.4Confident0 Ų038.7 Ų38.70%020%0.202CC..Hα-helixtrans-62.5-39.617555.90000111.1C229 L271 N272 L273 L279 V280C229-T276 HydrophobicContact CB-CG2 3.69Å; L271-T276 HydrophobicContact CB-CG2 4.19Å; L271-T276 HydrophobicContact CD1-CG2 4.34Å; N272-T276 WeakPolarHBondContact O-CG2 3.44Å; N272-T276 PolarHBondContact O-N 3.15Å; N272-T276 PolarHBondContact O-OG1 3.19Å; L273-T276 PolarHBondContact O-OG1 3.4Å; T276-L279 PolarHBondContact O-N 3.27Å; T276-V280 WeakPolarHBondContact O-CG2 3.19Å; T276-V280 PolarHBondContact O-N 3.06Å; T276-V280 VanDerWaalsContact O-N 3.12Å
277A88.5Confident85Confident15 Ų1537.3 Ų37.312%0.12420%0.196CC..Hα-helixtrans-64.3-43.8174.100000112.4F222 L273 W274 E275 V280 E281 F299F222-A277 HydrophobicContact CE1-CB 4.36Å; F222-A277 VanDerWaalsContact CE2-CA 3.48Å; F222-A277 HydrophobicContact CE2-CB 3.99Å; F222-A277 HydrophobicContact CZ-CB 3.77Å; L273-A277 PolarHBondContact O-N 2.74Å; L273-A277 VanDerWaalsContact O-N 3.09Å; W274-A277 PolarHBondContact O-N 3.34Å; E275-A277 VanDerWaalsContact C-N 3.29Å; E275-A277 PolarHBondContact O-N 2.91Å; A277-V280 PolarHBondContact O-N 3.2Å; A277-E281 PolarHBondContact O-N 2.93Å; A277-F299 HydrophobicContact CB-CE1 3.89Å; A277-F299 WeakPolarHBondContact O-CZ 3.32Å
278R86Confident86.4Confident82 Ų8236.5 Ų36.531%0.30920%0.203SC..Hα-helixtrans-68-35.1178.2-70.6-67.1-179.1-175.5-11.7113.1W239 W274 E275 V280 E281 H282W239-R278 HydrophobicContact CH2-CB 3.49Å; W239-R278 VanDerWaalsContact CH2-CB 3.49Å; W239-R278 HydrophobicContact CH2-CG 4.36Å; W239-R278 HydrophobicContact CZ3-CB 3.43Å; W239-R278 VanDerWaalsContact CZ3-CB 3.43Å; W274-R278 WeakPolarHBondContact O-CB 3.33Å; W274-R278 VanDerWaalsContact O-CG 3.29Å; W274-R278 WeakPolarHBondContact O-CG 3.49Å; W274-R278 PolarHBondContact O-N 3.38Å; E275-R278 PolarHBondContact O-N 3.46Å; R278-V280 VanDerWaalsContact C-N 3.33Å; R278-E281 VanDerWaalsContact CD-OE2 3.3Å; R278-E281 WeakPolarHBondContact CD-OE2 3.47Å; R278-E281 IonicContact CZ-OE2 2.95Å; R278-E281 IonicContact NE-OE2 3.48Å; R278-E281 IonicContact NH1-OE1 3.84Å; R278-E281 IonicContact NH1-OE2 2.7Å; R278-E281 PolarHBondContact NH1-OE2 2.61Å; R278-E281 WeakPolarHBondContact O-CB 3.35Å; R278-E281 PolarHBondContact O-N 3.15Å; R278-H282 WeakPolarHBondContact O-CB 3.39Å; R278-H282 PolarHBondContact O-N 2.73Å
279L88.6Confident87.7Confident0 Ų039.7 Ų39.70%022%0.216CC..Hα-helixtrans-61.3-43.8172.3174.263.3000110.9A204 L208 T237 W239 E275 T276 H282 A283A204-L279 HydrophobicContact CB-CD2 3.87Å; L208-L279 HydrophobicContact CD1-CD1 4.42Å; L208-L279 HydrophobicContact CD1-CD2 3.8Å; L208-L279 HydrophobicContact CD1-CG 3.67Å; T237-L279 HydrophobicContact CG2-CD2 3.86Å; W239-L279 HydrophobicContact CB-CD1 3.75Å; W239-L279 HydrophobicContact CE3-CB 4.21Å; W239-L279 HydrophobicContact CG-CD1 4.5Å; E275-L279 VanDerWaalsContact O-CB 3.3Å; E275-L279 WeakPolarHBondContact O-CB 3.48Å; E275-L279 PolarHBondContact O-N 3.45Å; T276-L279 PolarHBondContact O-N 3.27Å; L279-H282 PolarHBondContact O-N 3.1Å; L279-A283 WeakPolarHBondContact O-CB 3.39Å; L279-A283 PolarHBondContact O-N 3.1Å
280V92.6Very high88.5Confident0 Ų034.7 Ų34.70%021%0.206CC..Hα-helixtrans-63.8-42.5173.7173.40000110.8V176 L208 I212 F222 T276 A277 R278 H282 A283 M284 I298 F299V176-V280 HydrophobicContact CB-CG1 4.46Å; V176-V280 HydrophobicContact CB-CG2 4.43Å; V176-V280 HydrophobicContact CG2-CG1 3.76Å; V176-V280 HydrophobicContact CG2-CG2 4.35Å; L208-V280 HydrophobicContact CD1-CG2 4.29Å; L208-V280 HydrophobicContact CD2-CG2 4.33Å; I212-V280 HydrophobicContact CD1-CG1 4.36Å; F222-V280 HydrophobicContact CD2-CB 4.36Å; F222-V280 HydrophobicContact CD2-CG2 3.98Å; F222-V280 HydrophobicContact CE2-CG2 4.23Å; T276-V280 WeakPolarHBondContact O-CG2 3.19Å; T276-V280 PolarHBondContact O-N 3.06Å; T276-V280 VanDerWaalsContact O-N 3.12Å; A277-V280 PolarHBondContact O-N 3.2Å; R278-V280 VanDerWaalsContact C-N 3.33Å; V280-H282 VanDerWaalsContact C-N 3.33Å; V280-H282 PolarHBondContact O-N 3.3Å; V280-A283 PolarHBondContact O-N 3.16Å; V280-M284 HydrophobicContact CG1-CG 4.43Å; V280-M284 HydrophobicContact CG1-SD 4.44Å; V280-M284 VanDerWaalsContact O-CG 3.24Å; V280-M284 WeakPolarHBondContact O-CG 3.49Å; V280-M284 PolarHBondContact O-N 3.33Å; V280-I298 HydrophobicContact CG1-CG2 4.03Å; V280-F299 HydrophobicContact CB-CE1 4.37Å; V280-F299 HydrophobicContact CB-CZ 4.09Å; V280-F299 HydrophobicContact CG1-CE1 4.32Å; V280-F299 HydrophobicContact CG1-CZ 3.93Å
281E92.2Very high89.4Confident46 Ų4634.9 Ų34.922%0.21521%0.209CC..Hα-helixtrans-61.4-39.4176.5-171.3179.3-171.800112.7A277 R278 M284 G285 K295 F299A277-E281 PolarHBondContact O-N 2.93Å; R278-E281 VanDerWaalsContact CD-OE2 3.3Å; R278-E281 WeakPolarHBondContact CD-OE2 3.47Å; R278-E281 IonicContact CZ-OE2 2.95Å; R278-E281 IonicContact NE-OE2 3.48Å; R278-E281 IonicContact NH1-OE1 3.84Å; R278-E281 IonicContact NH1-OE2 2.7Å; R278-E281 PolarHBondContact NH1-OE2 2.61Å; R278-E281 WeakPolarHBondContact O-CB 3.35Å; R278-E281 PolarHBondContact O-N 3.15Å; E281-M284 WeakPolarHBondContact O-CB 3.46Å; E281-M284 PolarHBondContact O-N 3.33Å; E281-G285 PolarHBondContact O-N 2.72Å; E281-K295 HydrophobicContact CG-CD 4.35Å; E281-K295 VanDerWaalsContact OE1-CE 3.31Å; E281-K295 WeakPolarHBondContact OE1-CE 3.43Å; E281-K295 IonicContact OE1-NZ 3.22Å; E281-K295 PolarHBondContact OE1-NZ 3.18Å; E281-F299 HydrophobicContact CB-CZ 4.42Å
282H91.3Very high90.2Very high43 Ų4340.6 Ų40.620%0.19924%0.243CC..Hα-helixtrans-62.3-48.9172.4170.653.7000111.1W239 R278 L279 V280 M284 G285 D286W239-H282 AromaticContact CD1-CD2 3.11Å; W239-H282 AromaticContact CD1-CE1 3.75Å; W239-H282 AromaticContact CD1-CG 3.29Å; W239-H282 AromaticContact CD1-ND1 3.69Å; W239-H282 AromaticContact CD1-NE2 3.38Å; W239-H282 HydrophobicContact CD2-CB 4.12Å; W239-H282 HydrophobicContact CG-CB 4.16Å; W239-H282 AromaticContact CG-CD2 3.42Å; W239-H282 VanDerWaalsContact CG-CD2 3.42Å; W239-H282 AromaticContact CG-CG 3.82Å; W239-H282 AromaticContact NE1-CD2 3.88Å; W239-H282 AromaticContact NE1-CG 3.56Å; W239-H282 AromaticContact NE1-ND1 3.82Å; R278-H282 WeakPolarHBondContact O-CB 3.39Å; R278-H282 PolarHBondContact O-N 2.73Å; L279-H282 PolarHBondContact O-N 3.1Å; V280-H282 VanDerWaalsContact C-N 3.33Å; V280-H282 PolarHBondContact O-N 3.3Å; H282-M284 VanDerWaalsContact C-N 3.25Å; H282-M284 PolarHBondContact O-N 3.24Å; H282-G285 WeakPolarHBondContact O-CA 3.2Å; H282-G285 PolarHBondContact O-N 3.33Å; H282-D286 IonicContact CE1-OD1 3.62Å; H282-D286 PolarHBondContact CE1-OD1 3.41Å; H282-D286 IonicContact CE1-OD2 2.99Å; H282-D286 PolarHBondContact CE1-OD2 3.3Å; H282-D286 IonicContact ND1-OD1 2.92Å; H282-D286 IonicContact NE2-OD2 2.6Å; H282-D286 PolarHBondContact NE2-OD2 3.09Å; H282-D286 PolarHBondContact O-N 3.42Å
283A93.2Very high91.1Very high0 Ų045.3 Ų45.30%027%0.265CS..Hα-helixtrans-62.6-30.8178.100000113.2L208 S209 I212 L279 V280 A287L208-A283 HydrophobicContact CB-CB 3.48Å; L208-A283 VanDerWaalsContact CB-CB 3.48Å; S209-A283 VanDerWaalsContact OG-CA 3.28Å; S209-A283 WeakPolarHBondContact OG-CA 2.75Å; S209-A283 WeakPolarHBondContact OG-CB 3.16Å; S209-A283 PolarHBondContact OG-O 3.04Å; I212-A283 HydrophobicContact CD1-CB 3.85Å; L279-A283 WeakPolarHBondContact O-CB 3.39Å; L279-A283 PolarHBondContact O-N 3.1Å; V280-A283 PolarHBondContact O-N 3.16Å; A283-A287 VanDerWaalsContact O-CB 3.3Å; A283-A287 WeakPolarHBondContact O-CB 3.41Å; A283-A287 PolarHBondContact O-N 3.12Å
284M95.7Very high91.9Very high0 Ų046.2 Ų46.20%027%0.27CS..Hα-helixtrans-61.4-47.7169.8-7017264.100110.9I212 V280 E281 H282 D286 A287 G288 Y289 D294 K295 I298 F299I212-M284 HydrophobicContact CD1-CG 3.85Å; I212-M284 HydrophobicContact CG2-CG 4.43Å; V280-M284 HydrophobicContact CG1-CG 4.43Å; V280-M284 HydrophobicContact CG1-SD 4.44Å; V280-M284 VanDerWaalsContact O-CG 3.24Å; V280-M284 WeakPolarHBondContact O-CG 3.49Å; V280-M284 PolarHBondContact O-N 3.33Å; E281-M284 WeakPolarHBondContact O-CB 3.46Å; E281-M284 PolarHBondContact O-N 3.33Å; H282-M284 VanDerWaalsContact C-N 3.25Å; H282-M284 PolarHBondContact O-N 3.24Å; M284-D286 VanDerWaalsContact C-N 3.34Å; M284-D286 PolarHBondContact O-N 3.14Å; M284-A287 CarbonylContact O-C 3.52Å; M284-A287 WeakPolarHBondContact O-CA 3.45Å; M284-A287 WeakPolarHBondContact O-CB 3.49Å; M284-A287 PolarHBondContact O-N 2.75Å; M284-A287 VanDerWaalsContact O-N 3.12Å; M284-G288 PolarHBondContact O-N 2.93Å; M284-Y289 CarbonylContact C-O 3.57Å; M284-Y289 CarbonylContact O-C 3.48Å; M284-Y289 WeakPolarHBondContact O-CA 3.22Å; M284-Y289 PolarHBondContact O-N 2.78Å; M284-D294 HydrophobicContact CE-CB 3.78Å; M284-K295 HydrophobicContact CE-CB 4.3Å; M284-K295 HydrophobicContact CE-CG 3.61Å; M284-K295 HydrophobicContact SD-CG 4.23Å; M284-I298 HydrophobicContact CE-CD1 3.77Å; M284-I298 HydrophobicContact CG-CD1 3.73Å; M284-I298 HydrophobicContact SD-CB 4.43Å; M284-I298 HydrophobicContact SD-CD1 3.65Å; M284-F299 HydrophobicContact SD-CE2 3.9Å; M284-F299 HydrophobicContact SD-CZ 4.49Å
285G95.3Very high92.7Very high45 Ų4543.6 Ų43.646%0.46426%0.262SS..Hα-helixtrans-56.5-48177.400000112.2E281 H282 A287 G288 Y289E281-G285 PolarHBondContact O-N 2.72Å; H282-G285 WeakPolarHBondContact O-CA 3.2Å; H282-G285 PolarHBondContact O-N 3.33Å; G285-A287 VanDerWaalsContact C-N 3.27Å; G285-A287 PolarHBondContact O-N 3.03Å; G285-G288 PolarHBondContact O-N 3.29Å; G285-Y289 WeakPolarHBondContact CA-O 3.5Å; G285-Y289 PolarHBondContact N-O 3.17Å; G285-Y289 VanDerWaalsContact N-O 3.16Å
286D93.6Very high93.5Very high98 Ų9848.2 Ų48.252%0.52428%0.283SS..Hα-helixtrans-62.3-34.2176.8-740.5000112.7S209 H282 M284 G288S209-D286 WeakPolarHBondContact OG-CB 3.34Å; H282-D286 IonicContact CE1-OD1 3.62Å; H282-D286 PolarHBondContact CE1-OD1 3.41Å; H282-D286 IonicContact CE1-OD2 2.99Å; H282-D286 PolarHBondContact CE1-OD2 3.3Å; H282-D286 IonicContact ND1-OD1 2.92Å; H282-D286 IonicContact NE2-OD2 2.6Å; H282-D286 PolarHBondContact NE2-OD2 3.09Å; H282-D286 PolarHBondContact O-N 3.42Å; M284-D286 VanDerWaalsContact C-N 3.34Å; M284-D286 PolarHBondContact O-N 3.14Å; D286-G288 PolarHBondContact O-N 3.49Å
287A96.6Very high94Very high18 Ų1850.9 Ų50.915%0.14930%0.295CS..THydrogen-bonded Turntrans-77.71.6174.200000113.8I212 S213 A283 M284 G285 Y289I212-A287 HydrophobicContact CB-CB 4Å; I212-A287 HydrophobicContact CG2-CB 3.74Å; S213-A287 VanDerWaalsContact OG-CB 3.31Å; S213-A287 WeakPolarHBondContact OG-CB 3.36Å; A283-A287 VanDerWaalsContact O-CB 3.3Å; A283-A287 WeakPolarHBondContact O-CB 3.41Å; A283-A287 PolarHBondContact O-N 3.12Å; M284-A287 CarbonylContact O-C 3.52Å; M284-A287 WeakPolarHBondContact O-CA 3.45Å; M284-A287 WeakPolarHBondContact O-CB 3.49Å; M284-A287 PolarHBondContact O-N 2.75Å; M284-A287 VanDerWaalsContact O-N 3.12Å; G285-A287 VanDerWaalsContact C-N 3.27Å; G285-A287 PolarHBondContact O-N 3.03Å; A287-Y289 HydrophobicContact CB-CD2 3.85Å; A287-Y289 HydrophobicContact CB-CE2 4.2Å; A287-Y289 WeakPolarHBondContact O-CD2 3.39Å; A287-Y289 WeakPolarHBondContact O-CE2 3.33Å
288G97.4Very high94.4Very high69 Ų6950.2 Ų50.271%0.71129%0.289SS*.THydrogen-bonded Turntrans83.614.7179.700000114.9M284 G285 D286M284-G288 PolarHBondContact O-N 2.93Å; G285-G288 PolarHBondContact O-N 3.29Å; D286-G288 PolarHBondContact O-N 3.49Å
289Y97.2Very high94.8Very high70 Ų7049.6 Ų49.628%0.27529%0.289SS..  trans-111.2150.9176.7-57.8-74.3000111.2I212 P217 M284 G285 A287I212-Y289 HydrophobicContact CG2-CD2 3.64Å; I212-Y289 HydrophobicContact CG2-CE2 4Å; P217-Y289 VanDerWaalsContact CD-CZ 3.41Å; P217-Y289 HydrophobicContact CG-CD1 3.65Å; P217-Y289 HydrophobicContact CG-CE1 3.75Å; P217-Y289 HydrophobicContact CG-CG 4.22Å; M284-Y289 CarbonylContact C-O 3.57Å; M284-Y289 CarbonylContact O-C 3.48Å; M284-Y289 WeakPolarHBondContact O-CA 3.22Å; M284-Y289 PolarHBondContact O-N 2.78Å; G285-Y289 WeakPolarHBondContact CA-O 3.5Å; G285-Y289 PolarHBondContact N-O 3.17Å; G285-Y289 VanDerWaalsContact N-O 3.16Å; A287-Y289 HydrophobicContact CB-CD2 3.85Å; A287-Y289 HydrophobicContact CB-CE2 4.2Å; A287-Y289 WeakPolarHBondContact O-CD2 3.39Å; A287-Y289 WeakPolarHBondContact O-CE2 3.33Å
290G91.5Very high95.1Very high41 Ų4151.7 Ų51.742%0.42330%0.303SS..  trans174.90.9-178.700000115.6D294 K295G290-D294 PolarHBondContact N-OD2 3.41Å; G290-K295 WeakPolarHBondContact O-CE 3.42Å
291S96.5Very high95.2Very high54 Ų5454 Ų5438%0.37832%0.318SS..  trans-63.6159.1173.473.70000110.5E293 D294 K295S291-E293 PolarHBondContact O-N 3.35Å; S291-D294 WeakPolarHBondContact CB-OD2 3.25Å; S291-D294 PolarHBondContact N-OD2 2.91Å; S291-D294 VanDerWaalsContact N-OD2 3.14Å; S291-D294 PolarHBondContact O-N 3.04Å; S291-D294 PolarHBondContact OG-N 3.34Å; S291-D294 PolarHBondContact OG-OD1 2.87Å; S291-D294 PolarHBondContact OG-OD2 3.36Å; S291-K295 WeakPolarHBondContact O-CG 3.47Å; S291-K295 PolarHBondContact O-N 3.37Å; S291-K295 VanDerWaalsContact O-N 3.17Å
292V96Very high95.4Very high120 Ų12052.6 Ų52.673%0.72731%0.311SS*.Hα-helixtrans-58.4-37.8174.2177.40000110.4K295 E296V292-K295 PolarHBondContact O-N 3.43Å; V292-E296 WeakPolarHBondContact O-CB 3.24Å; V292-E296 PolarHBondContact O-N 3.48Å
293E96.9Very high95.7Very high118 Ų11851.6 Ų51.655%0.55131%0.311SS*.Hα-helixtrans-65.5-41.4178.3-166.7-171.515200112.2S291 K295 E296 K297S291-E293 PolarHBondContact O-N 3.35Å; E293-K295 VanDerWaalsContact C-N 3.32Å; E293-K295 PolarHBondContact O-N 2.83Å; E293-E296 PolarHBondContact O-N 2.72Å; E293-K297 WeakPolarHBondContact O-CG 3.44Å; E293-K297 PolarHBondContact O-N 2.94Å; E293-K297 VanDerWaalsContact OE1-CE 3.27Å; E293-K297 WeakPolarHBondContact OE1-CE 3.37Å; E293-K297 IonicContact OE1-NZ 2.68Å; E293-K297 PolarHBondContact OE1-NZ 3.1Å
294D97.4Very high95.8Very high25 Ų2555.3 Ų55.313%0.13433%0.328CS..Hα-helixtrans-62.3-42.8177-60.4-37.8000111.2P217 M284 G290 S291 K297 I298P217-D294 HydrophobicContact CB-CB 3.87Å; P217-D294 HydrophobicContact CG-CB 4.21Å; P217-D294 WeakPolarHBondContact CG-OD1 3.39Å; M284-D294 HydrophobicContact CE-CB 3.78Å; G290-D294 PolarHBondContact N-OD2 3.41Å; S291-D294 WeakPolarHBondContact CB-OD2 3.25Å; S291-D294 PolarHBondContact N-OD2 2.91Å; S291-D294 VanDerWaalsContact N-OD2 3.14Å; S291-D294 PolarHBondContact O-N 3.04Å; S291-D294 PolarHBondContact OG-N 3.34Å; S291-D294 PolarHBondContact OG-OD1 2.87Å; S291-D294 PolarHBondContact OG-OD2 3.36Å; D294-K297 PolarHBondContact O-N 2.67Å; D294-I298 PolarHBondContact O-N 2.98Å
295K95.4Very high95.8Very high64 Ų6461.4 Ų61.428%0.27836%0.356SS..Hα-helixtrans-66-44.2178.2-66.8176.9-170.8-1790110.5E281 M284 G290 S291 V292 E293 K297 I298 F299E281-K295 HydrophobicContact CG-CD 4.35Å; E281-K295 VanDerWaalsContact OE1-CE 3.31Å; E281-K295 WeakPolarHBondContact OE1-CE 3.43Å; E281-K295 IonicContact OE1-NZ 3.22Å; E281-K295 PolarHBondContact OE1-NZ 3.18Å; M284-K295 HydrophobicContact CE-CB 4.3Å; M284-K295 HydrophobicContact CE-CG 3.61Å; M284-K295 HydrophobicContact SD-CG 4.23Å; G290-K295 WeakPolarHBondContact O-CE 3.42Å; S291-K295 WeakPolarHBondContact O-CG 3.47Å; S291-K295 PolarHBondContact O-N 3.37Å; S291-K295 VanDerWaalsContact O-N 3.17Å; V292-K295 PolarHBondContact O-N 3.43Å; E293-K295 VanDerWaalsContact C-N 3.32Å; E293-K295 PolarHBondContact O-N 2.83Å; K295-K297 VanDerWaalsContact C-N 3.28Å; K295-K297 PolarHBondContact O-N 3.06Å; K295-I298 PolarHBondContact O-N 3.25Å; K295-F299 HydrophobicContact CB-CD2 4.13Å; K295-F299 HydrophobicContact CB-CE2 4.44Å; K295-F299 WeakPolarHBondContact O-CB 3.36Å; K295-F299 WeakPolarHBondContact O-CD2 3.34Å; K295-F299 PolarHBondContact O-N 3.47Å
296E95.5Very high95.9Very high105 Ų10559.3 Ų59.349%0.49133%0.334SS..Hα-helixtrans-59.7-39.2177.5-177.6170.1-158.900112.2V292 E293 S300 T301V292-E296 WeakPolarHBondContact O-CB 3.24Å; V292-E296 PolarHBondContact O-N 3.48Å; E293-E296 PolarHBondContact O-N 2.72Å; E296-S300 WeakPolarHBondContact O-CA 3.26Å; E296-S300 WeakPolarHBondContact O-CB 3.16Å; E296-S300 PolarHBondContact O-N 3.06Å; E296-T301 HydrophobicContact CG-CG2 3.83Å; E296-T301 PolarHBondContact O-N 2.84Å; E296-T301 PolarHBondContact O-OG1 3.42Å
297K97.3Very high96.1Very high55 Ų5554.9 Ų54.924%0.23931%0.311CS..Iπ-helixtrans-58.9-57.6173.6-71.8167.2-1771610111.9P217 E293 D294 K295 T301 N302P217-K297 HydrophobicContact CB-CD 4.5Å; P217-K297 VanDerWaalsContact O-CB 3.3Å; P217-K297 WeakPolarHBondContact O-CB 3.38Å; E293-K297 WeakPolarHBondContact O-CG 3.44Å; E293-K297 PolarHBondContact O-N 2.94Å; E293-K297 VanDerWaalsContact OE1-CE 3.27Å; E293-K297 WeakPolarHBondContact OE1-CE 3.37Å; E293-K297 IonicContact OE1-NZ 2.68Å; E293-K297 PolarHBondContact OE1-NZ 3.1Å; D294-K297 PolarHBondContact O-N 2.67Å; K295-K297 VanDerWaalsContact C-N 3.28Å; K295-K297 PolarHBondContact O-N 3.06Å; K297-T301 WeakPolarHBondContact CA-OG1 3.24Å; K297-N302 WeakPolarHBondContact O-CB 3.48Å; K297-N302 PolarHBondContact O-N 3.21Å; K297-N302 PolarHBondContact O-ND2 3.08Å
298I96.7Very high96Very high1 Ų158.3 Ų58.31%0.00533%0.333CS..Iπ-helixtrans-66.3-42.9-174.3-68.5176.6000112.1V176 I212 P217 C220 F222 V280 M284 D294 K295V176-I298 HydrophobicContact CG2-CG2 3.89Å; I212-I298 HydrophobicContact CG2-CD1 4.46Å; P217-I298 HydrophobicContact CB-CD1 4.07Å; P217-I298 HydrophobicContact CB-CG1 4.2Å; C220-I298 HydrophobicContact CB-CD1 3.88Å; C220-I298 HydrophobicContact CB-CG1 3.77Å; F222-I298 HydrophobicContact CB-CG2 4.19Å; F222-I298 PolarHBondContact N-O 3.15Å; V280-I298 HydrophobicContact CG1-CG2 4.03Å; M284-I298 HydrophobicContact CE-CD1 3.77Å; M284-I298 HydrophobicContact CG-CD1 3.73Å; M284-I298 HydrophobicContact SD-CB 4.43Å; M284-I298 HydrophobicContact SD-CD1 3.65Å; D294-I298 PolarHBondContact O-N 2.98Å; K295-I298 PolarHBondContact O-N 3.25Å
299F94.4Very high95.7Very high70 Ų7056.3 Ų56.331%0.30731%0.306SS..Iπ-helixtrans-88.9-8.9-173.5-67-70.8000114.3F222 A277 V280 E281 M284 K295F222-F299 HydrophobicContact CB-CD1 3.54Å; F222-F299 HydrophobicContact CB-CE1 3.91Å; F222-F299 HydrophobicContact CB-CG 4.41Å; F222-F299 AromaticContact CD1-CD1 3.91Å; F222-F299 HydrophobicContact CD1-CD1 3.91Å; F222-F299 HydrophobicContact CD1-CE1 4.26Å; F222-F299 HydrophobicContact CD2-CD1 4.02Å; F222-F299 AromaticContact CD2-CE1 3.61Å; F222-F299 HydrophobicContact CD2-CE1 3.61Å; F222-F299 HydrophobicContact CE2-CE1 4.19Å; F222-F299 AromaticContact CG-CD1 3.54Å; F222-F299 HydrophobicContact CG-CD1 3.54Å; F222-F299 AromaticContact CG-CE1 3.65Å; F222-F299 HydrophobicContact CG-CE1 3.65Å; A277-F299 HydrophobicContact CB-CE1 3.89Å; A277-F299 WeakPolarHBondContact O-CZ 3.32Å; V280-F299 HydrophobicContact CB-CE1 4.37Å; V280-F299 HydrophobicContact CB-CZ 4.09Å; V280-F299 HydrophobicContact CG1-CE1 4.32Å; V280-F299 HydrophobicContact CG1-CZ 3.93Å; E281-F299 HydrophobicContact CB-CZ 4.42Å; M284-F299 HydrophobicContact SD-CE2 3.9Å; M284-F299 HydrophobicContact SD-CZ 4.49Å; K295-F299 HydrophobicContact CB-CD2 4.13Å; K295-F299 HydrophobicContact CB-CE2 4.44Å; K295-F299 WeakPolarHBondContact O-CB 3.36Å; K295-F299 WeakPolarHBondContact O-CD2 3.34Å; K295-F299 PolarHBondContact O-N 3.47Å
300S93.8Very high95Very high43 Ų4357 Ų5730%0.30132%0.322SS..Iπ-helixtrans-149.2-73-173-177.40000114.1E296 N302 A303 Q304E296-S300 WeakPolarHBondContact O-CA 3.26Å; E296-S300 WeakPolarHBondContact O-CB 3.16Å; E296-S300 PolarHBondContact O-N 3.06Å; S300-N302 VanDerWaalsContact C-N 3.34Å; S300-N302 PolarHBondContact O-N 3.36Å; S300-A303 PolarHBondContact O-N 2.97Å; S300-A303 VanDerWaalsContact O-N 3.16Å; S300-Q304 PolarHBondContact O-N 3.25Å; S300-Q304 VanDerWaalsContact O-N 3.16Å; S300-Q304 PolarHBondContact OG-NE2 2.93Å
301T95.2Very high94.7Very high49 Ų4958 Ų5830%0.30132%0.316SS..Iπ-helixtrans-70.8-30.3-160.455.70000112.8E296 K297 Q304 H305E296-T301 HydrophobicContact CG-CG2 3.83Å; E296-T301 PolarHBondContact O-N 2.84Å; E296-T301 PolarHBondContact O-OG1 3.42Å; K297-T301 WeakPolarHBondContact CA-OG1 3.24Å; T301-Q304 PolarHBondContact O-N 3.18Å; T301-H305 WeakPolarHBondContact O-CB 3.38Å; T301-H305 PolarHBondContact O-N 3.19Å
302N97.4Very high94Very high16 Ų1657.9 Ų57.99%0.08631%0.308CS..Hα-helixtrans-63.6-45.1174-68.1-11.4000111.4P217 G218 C220 L221 K297 S300 Q304 H305 V306P217-N302 PolarHBondContact O-ND2 3.27Å; G218-N302 PolarHBondContact O-ND2 2.77Å; G218-N302 PolarHBondContact O-OD1 2.92Å; C220-N302 PolarHBondContact O-ND2 3.41Å; L221-N302 HydrophobicContact CG-CB 4.11Å; K297-N302 WeakPolarHBondContact O-CB 3.48Å; K297-N302 PolarHBondContact O-N 3.21Å; K297-N302 PolarHBondContact O-ND2 3.08Å; S300-N302 VanDerWaalsContact C-N 3.34Å; S300-N302 PolarHBondContact O-N 3.36Å; N302-Q304 VanDerWaalsContact C-N 3.34Å; N302-Q304 PolarHBondContact O-N 3.31Å; N302-H305 PolarHBondContact O-N 3.11Å; N302-V306 VanDerWaalsContact O-CB 3.24Å; N302-V306 WeakPolarHBondContact O-CB 3.35Å; N302-V306 WeakPolarHBondContact O-CG2 3.38Å; N302-V306 PolarHBondContact O-N 3.49Å
303A96.3Very high93.2Very high22 Ų2256.5 Ų56.518%0.18230%0.301CS..Hα-helixtrans-62.9-43178.300000111.4L221 S300 H305 Y307L221-A303 HydrophobicContact CD2-CB 4.05Å; S300-A303 PolarHBondContact O-N 2.97Å; S300-A303 VanDerWaalsContact O-N 3.16Å; A303-H305 VanDerWaalsContact C-N 3.33Å; A303-H305 PolarHBondContact O-N 3.31Å; A303-Y307 HydrophobicContact CB-CD2 4.42Å; A303-Y307 WeakPolarHBondContact O-CB 3.4Å; A303-Y307 WeakPolarHBondContact O-CD2 3.19Å; A303-Y307 PolarHBondContact O-N 2.88Å; A303-Y307 VanDerWaalsContact O-N 3.08Å
304Q95Very high91.9Very high79 Ų7957.9 Ų57.937%0.36930%0.303SS..Hα-helixtrans-59.2-44.1175.9-65.6-179.534.600112S300 T301 N302 S308 L309 I311S300-Q304 PolarHBondContact O-N 3.25Å; S300-Q304 VanDerWaalsContact O-N 3.16Å; S300-Q304 PolarHBondContact OG-NE2 2.93Å; T301-Q304 PolarHBondContact O-N 3.18Å; N302-Q304 VanDerWaalsContact C-N 3.34Å; N302-Q304 PolarHBondContact O-N 3.31Å; Q304-S308 VanDerWaalsContact O-CA 3.3Å; Q304-S308 WeakPolarHBondContact O-CA 3.46Å; Q304-S308 PolarHBondContact O-N 3.47Å; Q304-S308 VanDerWaalsContact O-N 3.08Å; Q304-L309 HydrophobicContact CG-CD1 4.38Å; Q304-L309 PolarHBondContact O-N 3.49Å; Q304-I311 HydrophobicContact CG-CD1 4.48Å; Q304-I311 HydrophobicContact CG-CG1 4.43Å
305H96.1Very high90.5Very high127 Ų12759.1 Ų59.159%0.58832%0.321SS*.Hα-helixtrans-75.5-42.6-178.2-179.570.8000113.6K134 T301 N302 A303K134-H305 PolarHBondContact NZ-O 2.95Å; T301-H305 WeakPolarHBondContact O-CB 3.38Å; T301-H305 PolarHBondContact O-N 3.19Å; N302-H305 PolarHBondContact O-N 3.11Å; A303-H305 VanDerWaalsContact C-N 3.33Å; A303-H305 PolarHBondContact O-N 3.31Å
306V97.8Very high89.6Confident1 Ų158.8 Ų58.81%0.00633%0.326CS..Hα-helixtrans-66.6-50.3-177.4169.20000109.9V110 K134 V136 Y173 L221 N302V110-V306 HydrophobicContact CG1-CG1 4.19Å; V110-V306 HydrophobicContact CG2-CG1 4.09Å; V110-V306 WeakPolarHBondContact CG2-O 3.06Å; K134-V306 HydrophobicContact CD-CG1 4.16Å; K134-V306 WeakPolarHBondContact CD-O 3.5Å; K134-V306 PolarHBondContact NZ-O 3.49Å; V136-V306 HydrophobicContact CG2-CG1 3.74Å; Y173-V306 HydrophobicContact CD1-CG2 3.5Å; Y173-V306 HydrophobicContact CD2-CG2 4.27Å; Y173-V306 HydrophobicContact CE1-CG2 3.33Å; Y173-V306 HydrophobicContact CE2-CG2 4.13Å; Y173-V306 HydrophobicContact CG-CG2 4Å; L221-V306 HydrophobicContact CD2-CB 4.17Å; L221-V306 HydrophobicContact CD2-CG1 4.38Å; L221-V306 HydrophobicContact CD2-CG2 4.33Å; N302-V306 VanDerWaalsContact O-CB 3.24Å; N302-V306 WeakPolarHBondContact O-CB 3.35Å; N302-V306 WeakPolarHBondContact O-CG2 3.38Å; N302-V306 PolarHBondContact O-N 3.49Å
307Y97.3Very high88.4Confident6 Ų654.5 Ų54.52%0.02431%0.308CS..THydrogen-bonded Turntrans-90.64.2-176.5-65.7-68.4000114.3I26 I54 V78 V110 D112 V136 K175 L221 A303 L309I26-Y307 HydrophobicContact CD1-CD1 4.44Å; I26-Y307 HydrophobicContact CD1-CD2 3.29Å; I26-Y307 HydrophobicContact CD1-CE2 3.72Å; I26-Y307 HydrophobicContact CD1-CG 3.69Å; I54-Y307 HydrophobicContact CD1-CD1 3.89Å; I54-Y307 HydrophobicContact CD1-CE1 3.44Å; I54-Y307 VanDerWaalsContact CD1-CE1 3.44Å; V78-Y307 HydrophobicContact CB-CD1 4.23Å; V78-Y307 WeakPolarHBondContact CB-O 3.48Å; V78-Y307 WeakPolarHBondContact CG1-O 2.95Å; V78-Y307 HydrophobicContact CG2-CD1 3.9Å; V78-Y307 HydrophobicContact CG2-CG 4.21Å; V110-Y307 HydrophobicContact CB-CD1 3.78Å; V110-Y307 HydrophobicContact CB-CE1 3.74Å; V110-Y307 HydrophobicContact CG1-CD1 3.98Å; V110-Y307 HydrophobicContact CG1-CE1 3.47Å; V110-Y307 VanDerWaalsContact CG1-CE1 3.47Å; V110-Y307 HydrophobicContact CG2-CD1 3.68Å; V110-Y307 HydrophobicContact CG2-CE1 4.09Å; V110-Y307 HydrophobicContact CG2-CG 4.48Å; D112-Y307 WeakPolarHBondContact OD1-CE1 3.4Å; D112-Y307 PolarHBondContact OD1-OH 2.92Å; V136-Y307 WeakPolarHBondContact CG1-OH 3.2Å; V136-Y307 HydrophobicContact CG2-CE1 4.41Å; K175-Y307 WeakPolarHBondContact CE-OH 3.38Å; K175-Y307 PolarHBondContact NZ-OH 3.23Å; L221-Y307 HydrophobicContact CD2-CD2 4.14Å; L221-Y307 HydrophobicContact CD2-CE2 3.62Å; A303-Y307 HydrophobicContact CB-CD2 4.42Å; A303-Y307 WeakPolarHBondContact O-CB 3.4Å; A303-Y307 WeakPolarHBondContact O-CD2 3.19Å; A303-Y307 PolarHBondContact O-N 2.88Å; A303-Y307 VanDerWaalsContact O-N 3.08Å; Y307-L309 PolarHBondContact O-N 3.11Å
308S94.7Very high86.4Confident90 Ų9056.7 Ų56.763%0.62933%0.328SS*.THydrogen-bonded Turntrans51.442.8-179.8-56.20000112.9Q304 S310Q304-S308 VanDerWaalsContact O-CA 3.3Å; Q304-S308 WeakPolarHBondContact O-CA 3.46Å; Q304-S308 PolarHBondContact O-N 3.47Å; Q304-S308 VanDerWaalsContact O-N 3.08Å; S308-S310 PolarHBondContact O-N 2.68Å
309L92Very high84.3Confident27 Ų2766 Ų6614%0.14137%0.368CS..  trans-65.2131-169.8-59.6-178.5000112I26 A51 V78 Q304 Y307 I311I26-L309 HydrophobicContact CD1-CD1 4.05Å; I26-L309 HydrophobicContact CD1-CD2 3.85Å; I26-L309 HydrophobicContact CD1-CG 4.45Å; I26-L309 HydrophobicContact CG1-CD1 4.23Å; I26-L309 HydrophobicContact CG1-CD2 4.02Å; A51-L309 HydrophobicContact CB-CD1 4.13Å; A51-L309 HydrophobicContact CB-CD2 4.39Å; V78-L309 HydrophobicContact CB-CD2 4.39Å; V78-L309 HydrophobicContact CG1-CD2 3.83Å; V78-L309 HydrophobicContact CG2-CD2 4.35Å; Q304-L309 HydrophobicContact CG-CD1 4.38Å; Q304-L309 PolarHBondContact O-N 3.49Å; Y307-L309 PolarHBondContact O-N 3.11Å; L309-I311 HydrophobicContact CB-CD1 4.02Å; L309-I311 HydrophobicContact CD1-CD1 4.3Å; L309-I311 PolarHBondContact O-N 2.88Å
310S81.7Confident82.1Confident85 Ų8566.8 Ų66.859%0.59438%0.375SS*.  trans-90.493167.5-71.80000110S308 R312S308-S310 PolarHBondContact O-N 2.68Å; S310-R312 PolarHBondContact O-N 3.16Å
311I84.3Confident79.5Confident61 Ų6174.8 Ų74.831%0.31341%0.405SS..  trans-70.6116-179.7-58.7-58.2000110.2Y24 A51 Q304 L309Y24-I311 HydrophobicContact CD1-CD1 4.4Å; Y24-I311 HydrophobicContact CD1-CG2 4.26Å; Y24-I311 HydrophobicContact CD2-CD1 4.24Å; Y24-I311 HydrophobicContact CD2-CG2 4.07Å; Y24-I311 HydrophobicContact CE1-CG2 3.69Å; Y24-I311 HydrophobicContact CE2-CG2 3.47Å; Y24-I311 VanDerWaalsContact CE2-CG2 3.47Å; Y24-I311 HydrophobicContact CG-CD1 4.1Å; Y24-I311 HydrophobicContact CG-CG2 4.43Å; Y24-I311 WeakPolarHBondContact OH-CG2 3.38Å; A51-I311 HydrophobicContact CB-CD1 3.9Å; Q304-I311 HydrophobicContact CG-CD1 4.48Å; Q304-I311 HydrophobicContact CG-CG1 4.43Å; L309-I311 HydrophobicContact CB-CD1 4.02Å; L309-I311 HydrophobicContact CD1-CD1 4.3Å; L309-I311 PolarHBondContact O-N 2.88Å
312R83.1Confident76.9Confident51 Ų5183 Ų8319%0.19243%0.43CS..PPolyproline II helixtrans-85.1139.9178.7-70.8-179.4-66.91702.4111.3Y24 A44 Y47 I50 S310 S316 C317Y24-R312 WeakPolarHBondContact CE1-O 3.36Å; Y24-R312 PolarHBondContact OH-O 3.08Å; A44-R312 PolarHBondContact O-NH1 3.29Å; A44-R312 PolarHBondContact O-NH2 2.68Å; Y47-R312 PolarHBondContact O-NH2 2.88Å; Y47-R312 VanDerWaalsContact O-NH2 3.08Å; I50-R312 PolarHBondContact O-NH2 2.98Å; S310-R312 PolarHBondContact O-N 3.16Å; R312-S316 WeakPolarHBondContact CB-OG 3.29Å; R312-C317 PolarHBondContact NH1-SG 2.85Å
313P78.5Confident73.9Confident92 Ų9287.3 Ų87.360%0.59746%0.462SS*.PPolyproline II helixtrans-59151.9173.7-21.732000111.8G315 S316P313-G315 PolarHBondContact O-N 2.94Å; P313-S316 VanDerWaalsContact O-CB 3.27Å; P313-S316 WeakPolarHBondContact O-CB 3.43Å; P313-S316 PolarHBondContact O-N 3.04Å; P313-S316 PolarHBondContact O-OG 3.47Å
314Y69.6Low70.9Confident147 Ų14799.2 Ų99.258%0.57651%0.514SS*.THydrogen-bonded Turntrans-53.3134.9172.8175.3-90.5000111.5E18 Y48 S316E18-Y314 HydrophobicContact CB-CE2 4.21Å; E18-Y314 VanDerWaalsContact OE2-CE2 3.24Å; E18-Y314 WeakPolarHBondContact OE2-CE2 3.18Å; E18-Y314 PolarHBondContact OE2-OH 2.84Å; Y48-Y314 HydrophobicContact CE1-CD2 4Å; Y48-Y314 HydrophobicContact CE1-CE2 4.16Å; Y48-Y314 AromaticContact CE2-CD2 3.85Å; Y48-Y314 HydrophobicContact CE2-CD2 3.85Å; Y48-Y314 AromaticContact CZ-CD2 3.43Å; Y48-Y314 VanDerWaalsContact CZ-CD2 3.43Å; Y48-Y314 AromaticContact CZ-CE2 3.83Å; Y48-Y314 VanDerWaalsContact OH-CD2 3.24Å; Y48-Y314 WeakPolarHBondContact OH-CD2 3.15Å; Y48-Y314 WeakPolarHBondContact OH-CE2 3.08Å; Y314-S316 PolarHBondContact O-N 3.29Å
315G68.8Low69.7Low50 Ų50100.2 Ų100.252%0.51552%0.521SS..THydrogen-bonded Turntrans71.79.7176.400000115P313 C317P313-G315 PolarHBondContact O-N 2.94Å; G315-C317 PolarHBondContact O-N 3.21Å
316S76.2Confident68.3Low57 Ų5798.8 Ų98.840%0.39952%0.517SS..  trans-73.4-14.1178.569.80000113.9R312 P313 Y314R312-S316 WeakPolarHBondContact CB-OG 3.29Å; P313-S316 VanDerWaalsContact O-CB 3.27Å; P313-S316 WeakPolarHBondContact O-CB 3.43Å; P313-S316 PolarHBondContact O-N 3.04Å; P313-S316 PolarHBondContact O-OG 3.47Å; Y314-S316 PolarHBondContact O-N 3.29Å
317C69.7Low66.7Low16 Ų16104.2 Ų104.211%0.10855%0.546CS..SBendtrans-69.7136.9175.1-73.90000109.7E45 D46 Y48 R312 G315 K319E45-C317 WeakPolarHBondContact O-CB 3.32Å; E45-C317 PolarHBondContact O-SG 3.18Å; D46-C317 WeakPolarHBondContact O-CB 3.41Å; Y48-C317 WeakPolarHBondContact CA-SG 3.17Å; Y48-C317 VanDerWaalsContact CB-SG 3.57Å; Y48-C317 PolarHBondContact N-SG 3.26Å; R312-C317 PolarHBondContact NH1-SG 2.85Å; G315-C317 PolarHBondContact O-N 3.21Å; C317-K319 PolarHBondContact O-N 2.83Å
318P56Low64.9Low101 Ų101110 Ų11066%0.65658%0.576SS**  trans-58113.5173.2-13.325.9000107.5L320P318-L320 PolarHBondContact O-N 3.48Å
319K53.6Low63.1Low195 Ų195111.3 Ų111.385%0.84857%0.573SS**  trans-52121.3161-81.9-174176.7-179.30105.1C317 K321C317-K319 PolarHBondContact O-N 2.83Å; K319-K321 VanDerWaalsContact C-N 3.26Å; K319-K321 PolarHBondContact O-N 2.7Å
320L47Very low61.1Low87 Ų87116.9 Ų116.946%0.45560%0.602SS.*  trans-43.794.5173.3-84.1147.9000109P318 R322P318-L320 PolarHBondContact O-N 3.48Å; L320-R322 HydrophobicContact CD2-CB 4Å; L320-R322 HydrophobicContact CD2-CG 4.3Å; L320-R322 PolarHBondContact O-N 3.46Å
321K40.1Very low59.6Low211 Ų211119.1 Ų119.192%0.91760%0.602SS**  trans-7645.4159.6-76.8-170.3174.5-1740108.2K319K319-K321 VanDerWaalsContact C-N 3.26Å; K319-K321 PolarHBondContact O-N 2.7Å
322R39.8Very low57.8Low221 Ų221123.6 Ų123.683%0.83463%0.625SS**  trans-119.263.8174.3-77.7-172.2175.4171.41.1107.8L320L320-R322 HydrophobicContact CD2-CB 4Å; L320-R322 HydrophobicContact CD2-CG 4.3Å; L320-R322 PolarHBondContact O-N 3.46Å
323S33.6Very low55.6Low108 Ų108129.7 Ų129.776%0.75566%0.661SS**  trans-162.165.7162.264.60000108.4
324E34.9Very low53.6Low271 Ų271133.1 Ų133.1100%1.26667%0.666SS**  trans-136.40153.3-79.1-172.6172.700107.3

Retrieved 324 of 324 residues in 155.8 ms (Link to these results)

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