A0A077Z5P0_TRITR Loading...

39S ribosomal protein L39, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z5P0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 332 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
1M82.3Confident94Very high50 Ų5054.9 Ų54.925%0.24629%0.287CS..  0-40.60-70.9-58.4-80.100113.9Q3 I4 R5 E130 V139M1-Q3 PolarHBondContact O-N 3.5Å; M1-I4 WeakPolarHBondContact O-CB 3.41Å; M1-I4 PolarHBondContact O-N 3.49Å; M1-I4 HydrophobicContact SD-CD1 4.33Å; M1-R5 PolarHBondContact O-N 3.12Å; M1-E130 HydrophobicContact CE-CB 4.25Å; M1-E130 HydrophobicContact CE-CG 3.78Å; M1-V139 WeakPolarHBondContact CE-O 3.39Å
2S88.3Confident94.3Very high44 Ų4450.4 Ų50.431%0.30826%0.264SS..Hα-helixtrans-56-50.8-178.6-156.10000113.6I4 R5 E6S2-I4 PolarHBondContact O-N 2.91Å; S2-I4 VanDerWaalsContact O-N 3.16Å; S2-R5 PolarHBondContact O-N 2.84Å; S2-E6 WeakPolarHBondContact O-CG 3.42Å; S2-E6 PolarHBondContact O-N 3.35Å; S2-E6 PolarHBondContact OG-OE1 3.28Å
3Q91.6Very high94.6Very high163 Ų16350.8 Ų50.876%0.76226%0.264SS*.Hα-helixtrans-57-34.8179.2-65.8177.7-1.700113.2M1 R7M1-Q3 PolarHBondContact O-N 3.5Å; Q3-R7 VanDerWaalsContact O-CB 3.27Å; Q3-R7 WeakPolarHBondContact O-CB 3.26Å; Q3-R7 PolarHBondContact O-N 3.15Å
4I92.7Very high94.9Very high54 Ų5458 Ų5828%0.27729%0.292SS..Hα-helixtrans-67.6-44.7177.1-71.9173.4000110.7M1 S2 R7 R8 D207M1-I4 WeakPolarHBondContact O-CB 3.41Å; M1-I4 PolarHBondContact O-N 3.49Å; M1-I4 HydrophobicContact SD-CD1 4.33Å; S2-I4 PolarHBondContact O-N 2.91Å; S2-I4 VanDerWaalsContact O-N 3.16Å; I4-R7 PolarHBondContact O-N 3.22Å; I4-R8 PolarHBondContact O-N 2.89Å; I4-D207 HydrophobicContact CD1-CB 4.29Å; I4-D207 HydrophobicContact CG2-CB 4.39Å; I4-D207 VanDerWaalsContact CG2-CG 3.43Å; I4-D207 WeakPolarHBondContact CG2-OD2 3.11Å
5R94.2Very high95.1Very high20 Ų2054.9 Ų54.98%0.07528%0.276CS..Hα-helixtrans-65.4-47.4177.3-69.9-165.8-53.2-89.3-4111.4M1 S2 R7 R8 S9 E130 D236M1-R5 PolarHBondContact O-N 3.12Å; S2-R5 PolarHBondContact O-N 2.84Å; R5-R7 VanDerWaalsContact C-N 3.3Å; R5-R7 PolarHBondContact O-N 2.85Å; R5-R8 PolarHBondContact O-N 3.11Å; R5-R8 VanDerWaalsContact O-N 3.12Å; R5-S9 WeakPolarHBondContact O-CB 3.34Å; R5-S9 PolarHBondContact O-N 3.35Å; R5-E130 VanDerWaalsContact CD-OE2 3.31Å; R5-E130 WeakPolarHBondContact CD-OE2 3.39Å; R5-E130 PolarHBondContact NH1-O 3.06Å; R5-D236 CarbonylContact C-O 3.57Å; R5-D236 HydrophobicContact CB-CB 4.42Å; R5-D236 WeakPolarHBondContact CB-O 3.24Å; R5-D236 IonicContact CZ-OD2 3.72Å; R5-D236 IonicContact NE-OD2 3.7Å; R5-D236 PolarHBondContact NE-OD2 2.87Å; R5-D236 IonicContact NH2-OD2 2.75Å; R5-D236 VanDerWaalsContact O-O 3.13Å
6E96Very high95.2Very high109 Ų10956.6 Ų56.651%0.50928%0.278SS..Hα-helixtrans-57.1-43.3175.9-72.9165-14400111.6S2 S9 G10S2-E6 WeakPolarHBondContact O-CG 3.42Å; S2-E6 PolarHBondContact O-N 3.35Å; S2-E6 PolarHBondContact OG-OE1 3.28Å; E6-S9 PolarHBondContact O-N 2.93Å; E6-G10 PolarHBondContact O-N 2.91Å
7R97.1Very high95.4Very high77 Ų7757.6 Ų57.629%0.29128%0.284SS..Hα-helixtrans-60.1-49.2173.8-173.1-172.37787.52.2111.8Q3 I4 R5 G10 L11 E203 M204 D207Q3-R7 VanDerWaalsContact O-CB 3.27Å; Q3-R7 WeakPolarHBondContact O-CB 3.26Å; Q3-R7 PolarHBondContact O-N 3.15Å; I4-R7 PolarHBondContact O-N 3.22Å; R5-R7 VanDerWaalsContact C-N 3.3Å; R5-R7 PolarHBondContact O-N 2.85Å; R7-G10 PolarHBondContact O-N 2.81Å; R7-L11 WeakPolarHBondContact O-CG 3.44Å; R7-L11 PolarHBondContact O-N 2.87Å; R7-E203 PolarHBondContact NH1-O 3.19Å; R7-E203 PolarHBondContact NH2-O 3.44Å; R7-E203 VanDerWaalsContact NH2-O 3.09Å; R7-M204 PolarHBondContact NH2-O 3.22Å; R7-D207 IonicContact CZ-OD1 2.63Å; R7-D207 IonicContact NH2-OD1 3.36Å; R7-D207 PolarHBondContact NH2-OD1 2.83Å
8R97.2Very high95.5Very high2 Ų259.8 Ų59.81%0.00829%0.288CS..Hα-helixtrans-59.6-47178.2-82.5-169.5-80.3156.2-9.2111.8I4 R5 L11 F12 E130 M204 V238I4-R8 PolarHBondContact O-N 2.89Å; R5-R8 PolarHBondContact O-N 3.11Å; R5-R8 VanDerWaalsContact O-N 3.12Å; R8-L11 PolarHBondContact O-N 2.83Å; R8-F12 PolarHBondContact O-N 2.82Å; R8-E130 IonicContact CZ-OE1 3.73Å; R8-E130 IonicContact NH1-OE1 3.83Å; R8-E130 IonicContact NH2-OE1 3.61Å; R8-E130 PolarHBondContact NH2-OE1 3.47Å; R8-E130 IonicContact NH2-OE2 2.83Å; R8-M204 WeakPolarHBondContact CD-O 3.2Å; R8-M204 HydrophobicContact CG-CB 4.46Å; R8-M204 WeakPolarHBondContact CG-O 3.49Å; R8-V238 HydrophobicContact CB-CB 4.35Å; R8-V238 HydrophobicContact CB-CG2 4.46Å; R8-V238 PolarHBondContact NH1-O 2.89Å
9S97.7Very high95.5Very high19 Ų1959.4 Ų59.413%0.13329%0.286CS..Hα-helixtrans-65-38.1177.9-173.90000112.5R5 E6 F12 E13 R233 G235R5-S9 WeakPolarHBondContact O-CB 3.34Å; R5-S9 PolarHBondContact O-N 3.35Å; E6-S9 PolarHBondContact O-N 2.93Å; S9-F12 WeakPolarHBondContact O-CB 3.25Å; S9-F12 PolarHBondContact O-N 3.38Å; S9-E13 PolarHBondContact O-N 2.8Å; S9-R233 WeakPolarHBondContact OG-CD 3.22Å; S9-G235 PolarHBondContact OG-O 2.66Å
10G98.1Very high95.4Very high41 Ų4161.1 Ų61.142%0.42329%0.294SS..Hα-helixtrans-64.9-41.5174.500000113E6 R7 F12 E13 K14E6-G10 PolarHBondContact O-N 2.91Å; R7-G10 PolarHBondContact O-N 2.81Å; G10-F12 VanDerWaalsContact C-N 3.29Å; G10-F12 PolarHBondContact O-N 2.85Å; G10-E13 PolarHBondContact O-N 2.92Å; G10-K14 WeakPolarHBondContact O-CB 3.26Å; G10-K14 PolarHBondContact O-N 2.74Å
11L98.3Very high95.3Very high25 Ų2564.3 Ų64.313%0.13131%0.312CS..Hα-helixtrans-62.8-37.5171.9-71.8173.3000111.6R7 R8 K14 E15 E203 M204R7-L11 WeakPolarHBondContact O-CG 3.44Å; R7-L11 PolarHBondContact O-N 2.87Å; R8-L11 PolarHBondContact O-N 2.83Å; L11-K14 PolarHBondContact O-N 3.28Å; L11-E15 WeakPolarHBondContact O-CB 3.34Å; L11-E15 PolarHBondContact O-N 3.16Å; L11-E203 HydrophobicContact CD1-CG 3.98Å; L11-E203 WeakPolarHBondContact CD2-OE1 3.37Å; L11-M204 VanDerWaalsContact C-CE 3.43Å; L11-M204 HydrophobicContact CB-CE 3.83Å; L11-M204 HydrophobicContact CB-CG 3.86Å; L11-M204 HydrophobicContact CD1-CG 3.99Å
12F98.5Very high95.9Very high1 Ų167.7 Ų67.70%0.00433%0.331CS..Hα-helixtrans-64.2-45.9177.8-175.8-75000110.5R8 S9 G10 E15 R16 E192 L194 M204 L231 R233 V238R8-F12 PolarHBondContact O-N 2.82Å; S9-F12 WeakPolarHBondContact O-CB 3.25Å; S9-F12 PolarHBondContact O-N 3.38Å; G10-F12 VanDerWaalsContact C-N 3.29Å; G10-F12 PolarHBondContact O-N 2.85Å; F12-E15 PolarHBondContact O-N 3.15Å; F12-R16 WeakPolarHBondContact O-CB 3.41Å; F12-R16 PolarHBondContact O-N 3.06Å; F12-E192 HydrophobicContact CE1-CB 4.26Å; F12-E192 HydrophobicContact CZ-CB 4.21Å; F12-L194 HydrophobicContact CD1-CD2 4.25Å; F12-L194 HydrophobicContact CD2-CB 4.21Å; F12-L194 HydrophobicContact CD2-CD2 4.18Å; F12-L194 HydrophobicContact CE1-CB 4.08Å; F12-L194 HydrophobicContact CE1-CD2 4.28Å; F12-L194 HydrophobicContact CE2-CB 3.45Å; F12-L194 VanDerWaalsContact CE2-CB 3.45Å; F12-L194 HydrophobicContact CE2-CD2 4.22Å; F12-L194 HydrophobicContact CG-CD2 4.21Å; F12-L194 HydrophobicContact CZ-CB 3.38Å; F12-L194 HydrophobicContact CZ-CD2 4.28Å; F12-L194 HydrophobicContact CZ-CG 4.47Å; F12-L194 WeakPolarHBondContact O-CD2 3.48Å; F12-M204 VanDerWaalsContact CA-CE 3.43Å; F12-M204 HydrophobicContact CB-CE 4.03Å; F12-L231 HydrophobicContact CD2-CB 4.34Å; F12-L231 HydrophobicContact CE2-CB 4.02Å; F12-R233 HydrophobicContact CD1-CB 4.11Å; F12-R233 HydrophobicContact CD2-CB 4.13Å; F12-R233 HydrophobicContact CE1-CB 3.84Å; F12-R233 HydrophobicContact CE2-CB 3.84Å; F12-R233 HydrophobicContact CG-CB 4.25Å; F12-R233 HydrophobicContact CZ-CB 3.68Å; F12-V238 HydrophobicContact CB-CG2 4.08Å; F12-V238 HydrophobicContact CD2-CG1 3.85Å; F12-V238 HydrophobicContact CD2-CG2 4.19Å; F12-V238 HydrophobicContact CG-CG2 4.34Å
13E98.2Very high96Very high56 Ų5668 Ų6826%0.26233%0.329SS..Hα-helixtrans-63.5-43.9177.3-168.258.7-153.700112S9 G10 E15 R16 I17 R233S9-E13 PolarHBondContact O-N 2.8Å; G10-E13 PolarHBondContact O-N 2.92Å; E13-E15 VanDerWaalsContact C-N 3.33Å; E13-E15 PolarHBondContact O-N 3.42Å; E13-R16 WeakPolarHBondContact O-CB 3.44Å; E13-R16 PolarHBondContact O-N 3.41Å; E13-R16 IonicContact OE1-NH1 3.46Å; E13-R16 PolarHBondContact OE1-NH1 3.18Å; E13-R16 VanDerWaalsContact OE1-NH1 3.09Å; E13-R16 IonicContact OE2-NH1 2.91Å; E13-R16 PolarHBondContact OE2-NH1 3.28Å; E13-I17 HydrophobicContact CG-CD1 3.99Å; E13-I17 WeakPolarHBondContact O-CG1 3.34Å; E13-I17 PolarHBondContact O-N 2.85Å; E13-R233 IonicContact OE2-CZ 3.29Å; E13-R233 VanDerWaalsContact OE2-CZ 3.23Å; E13-R233 IonicContact OE2-NH1 2.96Å; E13-R233 PolarHBondContact OE2-NH1 2.83Å; E13-R233 IonicContact OE2-NH2 3.72Å; E13-R233 PolarHBondContact OE2-NH2 2.92Å
14K98.3Very high95.9Very high151 Ų15163.3 Ų63.366%0.65732%0.324SS*.Hα-helixtrans-59.1-44.6177.6-176.3-178.6176.6-174.50111.7G10 L11 R18G10-K14 WeakPolarHBondContact O-CB 3.26Å; G10-K14 PolarHBondContact O-N 2.74Å; L11-K14 PolarHBondContact O-N 3.28Å; K14-R18 WeakPolarHBondContact O-CB 3.44Å; K14-R18 PolarHBondContact O-N 3.29Å
15E98.1Very high95.8Very high12 Ų1268.1 Ų68.16%0.05635%0.349CS..Hα-helixtrans-68.6-39.8178178.158.9-166.600111.8L11 F12 E13 R18 Q19 L194 V196 V200L11-E15 WeakPolarHBondContact O-CB 3.34Å; L11-E15 PolarHBondContact O-N 3.16Å; F12-E15 PolarHBondContact O-N 3.15Å; E13-E15 VanDerWaalsContact C-N 3.33Å; E13-E15 PolarHBondContact O-N 3.42Å; E15-R18 WeakPolarHBondContact O-CB 3.48Å; E15-R18 PolarHBondContact O-N 3.23Å; E15-R18 IonicContact OE1-CZ 3.55Å; E15-R18 IonicContact OE1-NE 2.83Å; E15-R18 PolarHBondContact OE1-NE 2.89Å; E15-R18 IonicContact OE1-NH2 3.64Å; E15-R18 PolarHBondContact OE1-NH2 3.4Å; E15-R18 IonicContact OE2-CZ 3.53Å; E15-R18 IonicContact OE2-NE 2.87Å; E15-R18 PolarHBondContact OE2-NE 2.92Å; E15-R18 IonicContact OE2-NH2 3.09Å; E15-Q19 WeakPolarHBondContact O-CG 3.32Å; E15-Q19 PolarHBondContact O-N 3.24Å; E15-Q19 WeakPolarHBondContact OE1-CG 3.17Å; E15-Q19 PolarHBondContact OE1-NE2 3.26Å; E15-L194 HydrophobicContact CB-CD2 3.93Å; E15-L194 HydrophobicContact CG-CD2 3.77Å; E15-V196 HydrophobicContact CG-CB 4.45Å; E15-V196 HydrophobicContact CG-CG1 3.78Å; E15-V200 HydrophobicContact CB-CG1 4.22Å; E15-V200 HydrophobicContact CG-CG1 4.09Å
16R97.2Very high95.8Very high81 Ų8171.9 Ų71.931%0.30637%0.37SS..Hα-helixtrans-58.1-50.1174.7178.9-172174.4-1428.1111.5F12 E13 R18 Q19 Q20 E192 L194F12-R16 WeakPolarHBondContact O-CB 3.41Å; F12-R16 PolarHBondContact O-N 3.06Å; E13-R16 WeakPolarHBondContact O-CB 3.44Å; E13-R16 PolarHBondContact O-N 3.41Å; E13-R16 IonicContact OE1-NH1 3.46Å; E13-R16 PolarHBondContact OE1-NH1 3.18Å; E13-R16 VanDerWaalsContact OE1-NH1 3.09Å; E13-R16 IonicContact OE2-NH1 2.91Å; E13-R16 PolarHBondContact OE2-NH1 3.28Å; R16-R18 VanDerWaalsContact C-N 3.31Å; R16-R18 PolarHBondContact O-N 3.26Å; R16-Q19 PolarHBondContact O-N 3.25Å; R16-Q20 WeakPolarHBondContact O-CG 3.4Å; R16-Q20 PolarHBondContact O-N 2.87Å; R16-E192 IonicContact CZ-OE1 3.56Å; R16-E192 IonicContact NE-OE1 3.59Å; R16-E192 IonicContact NH1-OE1 2.82Å; R16-E192 IonicContact NH2-OE1 3.44Å; R16-L194 HydrophobicContact CB-CD1 4.23Å; R16-L194 HydrophobicContact CB-CD2 4.13Å
17I97.3Very high95.8Very high74 Ų7471.6 Ų71.638%0.37937%0.369SS..Hα-helixtrans-61-42.2177-68.4168.3000110.4E13 Q19 Q20 N21E13-I17 HydrophobicContact CG-CD1 3.99Å; E13-I17 WeakPolarHBondContact O-CG1 3.34Å; E13-I17 PolarHBondContact O-N 2.85Å; I17-Q19 PolarHBondContact O-N 2.9Å; I17-Q20 PolarHBondContact O-N 2.75Å; I17-N21 WeakPolarHBondContact O-CB 3.35Å; I17-N21 VanDerWaalsContact O-CG 3.25Å; I17-N21 PolarHBondContact O-N 3.41Å; I17-N21 PolarHBondContact O-ND2 2.85Å
18R97.2Very high95.8Very high97 Ų9774.5 Ų74.537%0.36638%0.384SS..Hα-helixtrans-59.5-46.1176.4-168.6-165.470.978.22.8111.6K14 E15 R16 N21 L22K14-R18 WeakPolarHBondContact O-CB 3.44Å; K14-R18 PolarHBondContact O-N 3.29Å; E15-R18 WeakPolarHBondContact O-CB 3.48Å; E15-R18 PolarHBondContact O-N 3.23Å; E15-R18 IonicContact OE1-CZ 3.55Å; E15-R18 IonicContact OE1-NE 2.83Å; E15-R18 PolarHBondContact OE1-NE 2.89Å; E15-R18 IonicContact OE1-NH2 3.64Å; E15-R18 PolarHBondContact OE1-NH2 3.4Å; E15-R18 IonicContact OE2-CZ 3.53Å; E15-R18 IonicContact OE2-NE 2.87Å; E15-R18 PolarHBondContact OE2-NE 2.92Å; E15-R18 IonicContact OE2-NH2 3.09Å; R16-R18 VanDerWaalsContact C-N 3.31Å; R16-R18 PolarHBondContact O-N 3.26Å; R18-N21 PolarHBondContact O-N 3.31Å; R18-L22 WeakPolarHBondContact O-CG 3.47Å; R18-L22 PolarHBondContact O-N 3.48Å
19Q95.6Very high95.9Very high52 Ų5274.9 Ų74.924%0.24339%0.386CS..Hα-helixtrans-64.3-40.3177.7-69.6-173.621.800111.8E15 R16 I17 N21 L22 D195E15-Q19 WeakPolarHBondContact O-CG 3.32Å; E15-Q19 PolarHBondContact O-N 3.24Å; E15-Q19 WeakPolarHBondContact OE1-CG 3.17Å; E15-Q19 PolarHBondContact OE1-NE2 3.26Å; R16-Q19 PolarHBondContact O-N 3.25Å; I17-Q19 PolarHBondContact O-N 2.9Å; Q19-N21 VanDerWaalsContact C-N 3.35Å; Q19-N21 PolarHBondContact O-N 2.92Å; Q19-L22 WeakPolarHBondContact O-CB 3.28Å; Q19-L22 PolarHBondContact O-N 2.75Å; Q19-D195 PolarHBondContact NE2-O 2.85Å
20Q93.7Very high95.9Very high94 Ų9477.9 Ų77.944%0.43940%0.398SS..Hα-helixtrans-61.6-41.3173.8-73.4175.5-15.900112.2R16 I17 L22 I23R16-Q20 WeakPolarHBondContact O-CG 3.4Å; R16-Q20 PolarHBondContact O-N 2.87Å; I17-Q20 PolarHBondContact O-N 2.75Å; Q20-L22 PolarHBondContact O-N 2.95Å; Q20-I23 VanDerWaalsContact O-CB 3.29Å; Q20-I23 WeakPolarHBondContact O-CB 3.49Å; Q20-I23 WeakPolarHBondContact O-CG1 3.35Å; Q20-I23 PolarHBondContact O-N 3.28Å; Q20-I23 VanDerWaalsContact O-N 3.11Å
21N94.6Very high95.9Very high128 Ų12876 Ų7668%0.68438%0.378SS*.Hα-helixtrans-70.4-15.3177.5-69.5-21.2000113.9I17 R18 Q19 I23I17-N21 WeakPolarHBondContact O-CB 3.35Å; I17-N21 VanDerWaalsContact O-CG 3.25Å; I17-N21 PolarHBondContact O-N 3.41Å; I17-N21 PolarHBondContact O-ND2 2.85Å; R18-N21 PolarHBondContact O-N 3.31Å; Q19-N21 VanDerWaalsContact C-N 3.35Å; Q19-N21 PolarHBondContact O-N 2.92Å; N21-I23 VanDerWaalsContact C-N 3.32Å
22L94.1Very high95.9Very high121 Ų12180.3 Ų80.363%0.63439%0.393SS*.THydrogen-bonded Turntrans-81.8-13.8172.4-72.7179000112.8R18 Q19 Q20 G24R18-L22 WeakPolarHBondContact O-CG 3.47Å; R18-L22 PolarHBondContact O-N 3.48Å; Q19-L22 WeakPolarHBondContact O-CB 3.28Å; Q19-L22 PolarHBondContact O-N 2.75Å; Q20-L22 PolarHBondContact O-N 2.95Å; L22-G24 PolarHBondContact O-N 2.77Å; L22-G24 VanDerWaalsContact O-N 3.12Å
23I90.9Very high95.8Very high52 Ų5280.3 Ų80.327%0.26739%0.392SS..  trans-69.4110.1171.8-55.4175.5000106.3Q20 N21 L26 D59 V60Q20-I23 VanDerWaalsContact O-CB 3.29Å; Q20-I23 WeakPolarHBondContact O-CB 3.49Å; Q20-I23 WeakPolarHBondContact O-CG1 3.35Å; Q20-I23 PolarHBondContact O-N 3.28Å; Q20-I23 VanDerWaalsContact O-N 3.11Å; N21-I23 VanDerWaalsContact C-N 3.32Å; I23-L26 HydrophobicContact CG2-CD2 4.27Å; I23-D59 HydrophobicContact CD1-CB 4.28Å; I23-D59 WeakPolarHBondContact CD1-O 3.43Å; I23-V60 HydrophobicContact CD1-CG2 3.62Å; I23-V60 HydrophobicContact CG2-CG2 4.15Å
24G89.4Confident95.6Very high64 Ų6481 Ų8166%0.6640%0.395SS*.  trans-74.4-120.7-179.300000111.8L22 L26L22-G24 PolarHBondContact O-N 2.77Å; L22-G24 VanDerWaalsContact O-N 3.12Å; G24-L26 PolarHBondContact O-N 3.46Å
25L91.1Very high94.9Very high154 Ų15474 Ų7481%0.80637%0.366SS*.SBendtrans-64.8134.7173.9-17566.9000110E27L25-E27 PolarHBondContact O-N 3.38Å; L25-E27 VanDerWaalsContact O-N 3.13Å
26L93.1Very high94.2Very high99 Ų9974.6 Ų74.652%0.51837%0.371SS..  trans-68.3109.9173.3-68.9176000110.2I23 G24 V60I23-L26 HydrophobicContact CG2-CD2 4.27Å; G24-L26 PolarHBondContact O-N 3.46Å; L26-V60 HydrophobicContact CD2-CG2 3.8Å
27E96.1Very high93.1Very high103 Ų10377.1 Ų77.148%0.48138%0.384SS..  trans-87.5144.1171.2-68.2175.5-172.700110.5L25 K58L25-E27 PolarHBondContact O-N 3.38Å; L25-E27 VanDerWaalsContact O-N 3.13Å; E27-K58 HydrophobicContact CB-CB 4.07Å; E27-K58 HydrophobicContact CB-CD 4.09Å; E27-K58 WeakPolarHBondContact O-CB 3.32Å; E27-K58 PolarHBondContact O-N 3.01Å; E27-K58 VanDerWaalsContact OE2-CD 3.24Å; E27-K58 WeakPolarHBondContact OE2-CD 3.25Å; E27-K58 IonicContact OE2-NZ 3.9Å; E27-K58 PolarHBondContact OE2-NZ 2.88Å
28K97.7Very high91.6Very high139 Ų13978.4 Ų78.460%0.60441%0.406SS*.EExtended strand (participates in β ladder)trans-90.5142.3174.3-68-62.3-170.8177.50110.7M56 N57K28-M56 WeakPolarHBondContact CA-O 3.45Å; K28-M56 WeakPolarHBondContact CD-O 3.35Å; K28-N57 WeakPolarHBondContact CE-OD1 3.49Å; K28-N57 PolarHBondContact NZ-OD1 3.37Å
29I98.1Very high89.8Confident10 Ų1077.3 Ų77.35%0.05141%0.41CS..EExtended strand (participates in β ladder)trans-125.2149.8171.553.5165.6000110.1V31 M56 K58 L94 S96 D97I29-V31 HydrophobicContact CD1-CG2 4.1Å; I29-V31 HydrophobicContact CG1-CG2 4.35Å; I29-M56 HydrophobicContact CG1-CB 4.13Å; I29-M56 PolarHBondContact N-O 3.08Å; I29-M56 PolarHBondContact O-N 3.32Å; I29-K58 HydrophobicContact CG2-CB 3.78Å; I29-K58 HydrophobicContact CG2-CD 4.27Å; I29-K58 HydrophobicContact CG2-CG 3.99Å; I29-L94 HydrophobicContact CD1-CB 3.71Å; I29-S96 WeakPolarHBondContact CD1-O 3.3Å; I29-D97 WeakPolarHBondContact CA-OD1 3.03Å; I29-D97 VanDerWaalsContact CB-OD1 3.28Å; I29-D97 WeakPolarHBondContact CB-OD1 3.35Å
30E98.3Very high88Confident82 Ų8277 Ų7738%0.38341%0.411SS..EExtended strand (participates in β ladder)trans-91.9118.9173.7-167.4179.5114.700110.4I53 D97 C98E30-I53 HydrophobicContact CG-CG2 3.38Å; E30-D97 PolarHBondContact N-OD1 2.93Å; E30-D97 WeakPolarHBondContact O-CA 3.29Å; E30-C98 PolarHBondContact O-N 3.2Å; E30-C98 VanDerWaalsContact O-N 3.15Å
31V98.5Very high86.1Confident0 Ų080.2 Ų80.20%043%0.431CS..EExtended strand (participates in β ladder)trans-109.1113.3176.3-173.40000108.9I29 V33 L54 M56 L94 C98 L100I29-V31 HydrophobicContact CD1-CG2 4.1Å; I29-V31 HydrophobicContact CG1-CG2 4.35Å; V31-V33 HydrophobicContact CG1-CG2 3.86Å; V31-V33 PolarHBondContact O-N 3.17Å; V31-L54 PolarHBondContact N-O 3.21Å; V31-L54 PolarHBondContact O-N 3.38Å; V31-M56 HydrophobicContact CB-CG 4.17Å; V31-M56 HydrophobicContact CG2-CB 3.89Å; V31-M56 HydrophobicContact CG2-CG 3.63Å; V31-L94 HydrophobicContact CG1-CD1 4.31Å; V31-L94 HydrophobicContact CG2-CD1 3.85Å; V31-C98 WeakPolarHBondContact CA-O 3.47Å; V31-L100 HydrophobicContact CG1-CB 3.7Å; V31-L100 HydrophobicContact CG1-CD2 3.91Å; V31-L100 HydrophobicContact CG1-CG 4.44Å
32R97.8Very high84Confident117 Ų11780.7 Ų80.744%0.44243%0.427SS..EExtended strand (participates in β ladder)trans-8697174.7-74.2-169.8-82.7-138.6-6.2109.6I53 C98 D99 L100R32-I53 HydrophobicContact CG-CG1 4.27Å; R32-C98 PolarHBondContact N-O 3.4Å; R32-D99 IonicContact NE-OD1 3.85Å; R32-D99 IonicContact NE-OD2 3.86Å; R32-D99 WeakPolarHBondContact O-CA 3.45Å; R32-L100 PolarHBondContact O-N 3.49Å
33V97Very high81.9Confident0 Ų077.9 Ų77.90%042%0.421CS..EExtended strand (participates in β ladder)trans-90121.2-176.4-167.10000110.5V31 P35 A51 I52 L54 L70 L100 F102V31-V33 HydrophobicContact CG1-CG2 3.86Å; V31-V33 PolarHBondContact O-N 3.17Å; V33-P35 VanDerWaalsContact O-CD 3.24Å; V33-P35 WeakPolarHBondContact O-CD 3.46Å; V33-A51 CarbonylContact O-C 3.45Å; V33-A51 WeakPolarHBondContact O-CA 3.45Å; V33-I52 PolarHBondContact N-O 2.78Å; V33-I52 PolarHBondContact O-N 3.07Å; V33-L54 HydrophobicContact CG2-CD1 3.75Å; V33-L54 HydrophobicContact CG2-CG 4.05Å; V33-L70 HydrophobicContact CG1-CD1 3.8Å; V33-L100 WeakPolarHBondContact CA-O 3.06Å; V33-L100 HydrophobicContact CG1-CD2 4.36Å; V33-L100 HydrophobicContact CG1-CG 4.48Å; V33-L100 HydrophobicContact CG2-CB 4.41Å; V33-L100 HydrophobicContact CG2-CD2 4.11Å; V33-F102 HydrophobicContact CG1-CD2 4.45Å; V33-F102 HydrophobicContact CG1-CE2 3.62Å; V33-F102 HydrophobicContact CG1-CZ 4.21Å
34H93.7Very high79.8Confident70 Ų7085.3 Ų85.332%0.32446%0.455SS..EExtended strand (participates in β ladder)trans-88.1102.6172.3-62.4-87.8000108.3D99 L100 K101H34-D99 IonicContact CD2-OD1 3.88Å; H34-D99 IonicContact CE1-OD1 2.85Å; H34-D99 IonicContact NE2-OD1 4Å; H34-D99 PolarHBondContact NE2-OD1 2.82Å; H34-L100 PolarHBondContact N-O 3.12Å; H34-K101 HydrophobicContact CB-CB 4.49Å
35P83.6Confident78.1Confident5 Ų585.9 Ų85.93%0.03246%0.461CS..  trans-65.5150-175.428.2-34.9000111V33 V40 I52V33-P35 VanDerWaalsContact O-CD 3.24Å; V33-P35 WeakPolarHBondContact O-CD 3.46Å; P35-V40 HydrophobicContact CB-CG2 4Å; P35-V40 HydrophobicContact CG-CG2 3.56Å; P35-I52 HydrophobicContact CB-CD1 4.4Å; P35-I52 HydrophobicContact CG-CD1 4.43Å
36P82.7Confident76.4Confident25 Ų2583.3 Ų83.316%0.16245%0.445CS..  trans-64.2145.4175.1-1830.4000111.7A38 V39 I74 F104P36-A38 PolarHBondContact O-N 3.05Å; P36-V39 HydrophobicContact CB-CG2 4.34Å; P36-V39 HydrophobicContact CG-CG2 4.28Å; P36-V39 PolarHBondContact O-N 3.29Å; P36-I74 HydrophobicContact CG-CD1 4.42Å; P36-I74 HydrophobicContact CG-CG1 4.43Å; P36-F104 HydrophobicContact CB-CE2 3.96Å; P36-F104 HydrophobicContact CB-CZ 4.37Å; P36-F104 HydrophobicContact CG-CE2 3.62Å; P36-F104 HydrophobicContact CG-CZ 3.7Å
37K74.6Confident74.6Confident133 Ų13387.8 Ų87.858%0.57846%0.463SS*.THydrogen-bonded Turntrans-43.4-36.2175.2-69.5178.5-178.3178.10114V39 E49 E108K37-V39 VanDerWaalsContact C-N 3.27Å; K37-V39 PolarHBondContact O-N 2.85Å; K37-E49 WeakPolarHBondContact CA-OE1 3.19Å; K37-E49 VanDerWaalsContact CG-OE1 3.26Å; K37-E49 WeakPolarHBondContact CG-OE1 3.45Å; K37-E108 IonicContact NZ-OE1 3.28Å; K37-E108 PolarHBondContact NZ-OE1 3.29Å
38A65.5Low72.7Confident102 Ų10290.9 Ų90.984%0.84348%0.478SS*.THydrogen-bonded Turntrans-73.1-11.5-177.300000115.1P36P36-A38 PolarHBondContact O-N 3.05Å
39V59.7Low71.1Confident74 Ų7487.3 Ų87.345%0.44846%0.463SS..THydrogen-bonded Turntrans-102.3-25.1-175.4-179.60000111.2P36 K37 I74P36-V39 HydrophobicContact CB-CG2 4.34Å; P36-V39 HydrophobicContact CG-CG2 4.28Å; P36-V39 PolarHBondContact O-N 3.29Å; K37-V39 VanDerWaalsContact C-N 3.27Å; K37-V39 PolarHBondContact O-N 2.85Å; V39-I74 HydrophobicContact CG1-CD1 4.48Å; V39-I74 HydrophobicContact CG2-CD1 3.78Å; V39-I74 HydrophobicContact CG2-CG1 4.16Å
40V57.4Low70.3Confident44 Ų4493.9 Ų93.927%0.26749%0.491SS..SBendtrans-89115.2178.5-1730000108.9P35 K42P35-V40 HydrophobicContact CB-CG2 4Å; P35-V40 HydrophobicContact CG-CG2 3.56Å; V40-K42 VanDerWaalsContact C-N 3.3Å; V40-K42 PolarHBondContact O-N 3.36Å
41N53.6Low69.9Low162 Ų16292 Ų9287%0.86649%0.49SS*.  trans-64.495.8162.1-74.1-24.4000107.1A43N41-A43 PolarHBondContact O-N 3.03Å; N41-A43 VanDerWaalsContact O-N 3.15Å
42K51.2Low69.6Low138 Ų13895.1 Ų95.160%0.651%0.506SS*.PPolyproline II helixtrans-59.6119.7171.3-74.1-169.3172.7-164.30108.6V40V40-K42 VanDerWaalsContact C-N 3.3Å; V40-K42 PolarHBondContact O-N 3.36Å
43A50.9Low69.6Low62 Ų6294.6 Ų94.651%0.51251%0.51SS..PPolyproline II helixtrans-72.6135.7151.500000107.1N41 G45 E46N41-A43 PolarHBondContact O-N 3.03Å; N41-A43 VanDerWaalsContact O-N 3.15Å; A43-G45 PolarHBondContact O-N 3.47Å; A43-G45 VanDerWaalsContact O-N 3.12Å; A43-E46 PolarHBondContact O-N 3.44Å
44E46.6Very low69.6Low208 Ų20895.8 Ų95.897%0.97252%0.517SS*.THydrogen-bonded Turntrans-54.4119.4175.9-69.1-178.4158.200109.7
45G53.8Low69.8Low77 Ų7796.1 Ų96.179%0.79453%0.532SS*.THydrogen-bonded Turntrans110.7-3.7174.100000117.6A43 E47A43-G45 PolarHBondContact O-N 3.47Å; A43-G45 VanDerWaalsContact O-N 3.12Å; G45-E47 PolarHBondContact O-N 3.23Å
46E54.5Low70.5Confident99 Ų9996.3 Ų96.346%0.46353%0.532SS..  trans-82.7113.7169.1-69-169.1149.800110.4A43 K50A43-E46 PolarHBondContact O-N 3.44Å; E46-K50 IonicContact OE1-NZ 2.74Å; E46-K50 PolarHBondContact OE1-NZ 2.87Å
47E54.9Low71.2Confident194 Ų19497 Ų9791%0.90754%0.535SS*.  trans-75.5-25.7-177.6-70.3-175.5164.100113.6G45G45-E47 PolarHBondContact O-N 3.23Å
48E56.5Low72.3Confident168 Ų16893.5 Ų93.579%0.78552%0.52SS*.SBendtrans-124.8128.2-178.2-70.1-173.4162.100112.4K50E48-K50 PolarHBondContact O-N 3.27Å
49E64.4Low73.7Confident63 Ų6392.2 Ų92.229%0.29450%0.499SS..  trans-64.3114.7171.1-74.5172.7174.900109.3K37 A51K37-E49 WeakPolarHBondContact CA-OE1 3.19Å; K37-E49 VanDerWaalsContact CG-OE1 3.26Å; K37-E49 WeakPolarHBondContact CG-OE1 3.45Å; E49-A51 PolarHBondContact O-N 3.26Å; E49-A51 VanDerWaalsContact O-N 3.11Å
50K80.5Confident75.5Confident149 Ų14991.7 Ų91.765%0.64850%0.495SS*.PPolyproline II helixtrans-62.9116.1178.3-69.3178.7-173.4157.10110E46 E48E46-K50 IonicContact OE1-NZ 2.74Å; E46-K50 PolarHBondContact OE1-NZ 2.87Å; E48-K50 PolarHBondContact O-N 3.27Å
51A89.8Confident77.4Confident42 Ų4290 Ų9035%0.34749%0.485SS..PPolyproline II helixtrans-60141.4173.300000110.8V33 E49V33-A51 CarbonylContact O-C 3.45Å; V33-A51 WeakPolarHBondContact O-CA 3.45Å; E49-A51 PolarHBondContact O-N 3.26Å; E49-A51 VanDerWaalsContact O-N 3.11Å
52I93.8Very high79.6Confident66 Ų6682.9 Ų82.934%0.33845%0.448SS..EExtended strand (participates in β ladder)trans-95122.8175.1-62.3168.6000107.7V33 P35 L54 L70V33-I52 PolarHBondContact N-O 2.78Å; V33-I52 PolarHBondContact O-N 3.07Å; P35-I52 HydrophobicContact CB-CD1 4.4Å; P35-I52 HydrophobicContact CG-CD1 4.43Å; I52-L54 HydrophobicContact CG2-CD2 3.96Å; I52-L54 HydrophobicContact CG2-CG 4.37Å; I52-L70 HydrophobicContact CB-CD2 4.44Å; I52-L70 HydrophobicContact CD1-CD2 3.43Å; I52-L70 VanDerWaalsContact CD1-CD2 3.43Å; I52-L70 HydrophobicContact CG2-CD2 4.22Å
53I96.7Very high81.8Confident105 Ų10576.3 Ų76.354%0.53842%0.419SS..EExtended strand (participates in β ladder)trans-90.6120.9179.1-61.9172.6000109.2E30 R32E30-I53 HydrophobicContact CG-CG2 3.38Å; R32-I53 HydrophobicContact CG-CG1 4.27Å
54L97.6Very high84.1Confident25 Ų2574.9 Ų74.913%0.13140%0.401CS..EExtended strand (participates in β ladder)trans-113.8135.6175.6-58.9-178.8000110.8V31 V33 I52 M56 C66 H69V31-L54 PolarHBondContact N-O 3.21Å; V31-L54 PolarHBondContact O-N 3.38Å; V33-L54 HydrophobicContact CG2-CD1 3.75Å; V33-L54 HydrophobicContact CG2-CG 4.05Å; I52-L54 HydrophobicContact CG2-CD2 3.96Å; I52-L54 HydrophobicContact CG2-CG 4.37Å; L54-M56 HydrophobicContact CB-CG 3.96Å; L54-M56 HydrophobicContact CB-SD 3.85Å; L54-M56 HydrophobicContact CD1-SD 4.29Å; L54-C66 HydrophobicContact CD1-CB 4.08Å; L54-H69 HydrophobicContact CD1-CB 3.92Å; L54-H69 HydrophobicContact CD2-CB 4.29Å
55A98Very high86.5Confident78 Ų7867.5 Ų67.565%0.64537%0.369SS*.EExtended strand (participates in β ladder)trans-91.699.6171.100000110.4
56M98.1Very high88.6Confident8 Ų863.9 Ų63.94%0.03933%0.331CS..EExtended strand (participates in β ladder)trans-106.1171.3-173.5-56.6-55.4-68.400111.7K28 I29 V31 L54 D65K28-M56 WeakPolarHBondContact CA-O 3.45Å; K28-M56 WeakPolarHBondContact CD-O 3.35Å; I29-M56 HydrophobicContact CG1-CB 4.13Å; I29-M56 PolarHBondContact N-O 3.08Å; I29-M56 PolarHBondContact O-N 3.32Å; V31-M56 HydrophobicContact CB-CG 4.17Å; V31-M56 HydrophobicContact CG2-CB 3.89Å; V31-M56 HydrophobicContact CG2-CG 3.63Å; L54-M56 HydrophobicContact CB-CG 3.96Å; L54-M56 HydrophobicContact CB-SD 3.85Å; L54-M56 HydrophobicContact CD1-SD 4.29Å; M56-D65 HydrophobicContact CE-CB 3.99Å
57N97.7Very high90.6Very high39 Ų3959.1 Ų59.121%0.20931%0.309CS..EExtended strand (participates in β ladder)trans-95.3124.1178.5-61.3-34.3000110.2K28 V60 S61K28-N57 WeakPolarHBondContact CE-OD1 3.49Å; K28-N57 PolarHBondContact NZ-OD1 3.37Å; N57-V60 HydrophobicContact CB-CB 3.93Å; N57-V60 HydrophobicContact CB-CG1 4.42Å; N57-V60 PolarHBondContact O-N 2.78Å; N57-S61 PolarHBondContact N-OG 3.39Å; N57-S61 WeakPolarHBondContact O-CB 3.48Å; N57-S61 PolarHBondContact O-N 3.46Å; N57-S61 PolarHBondContact O-OG 3.13Å
58K97.3Very high92.6Very high61 Ų6154 Ų5427%0.26529%0.287SS..THydrogen-bonded Turntrans-58.1138.8177.3-170.7178.5163.3-175.90111.6E27 I29 V60 P95E27-K58 HydrophobicContact CB-CB 4.07Å; E27-K58 HydrophobicContact CB-CD 4.09Å; E27-K58 WeakPolarHBondContact O-CB 3.32Å; E27-K58 PolarHBondContact O-N 3.01Å; E27-K58 VanDerWaalsContact OE2-CD 3.24Å; E27-K58 WeakPolarHBondContact OE2-CD 3.25Å; E27-K58 IonicContact OE2-NZ 3.9Å; E27-K58 PolarHBondContact OE2-NZ 2.88Å; I29-K58 HydrophobicContact CG2-CB 3.78Å; I29-K58 HydrophobicContact CG2-CD 4.27Å; I29-K58 HydrophobicContact CG2-CG 3.99Å; K58-V60 PolarHBondContact O-N 3.48Å; K58-P95 VanDerWaalsContact CE-O 3.22Å; K58-P95 WeakPolarHBondContact CE-O 3.22Å; K58-P95 WeakPolarHBondContact CG-O 3.5Å
59D95.8Very high94.5Very high75 Ų7552 Ų5240%0.40128%0.278SS..THydrogen-bonded Turntrans587178.4-62.2-49.7000115.2I23 P93 L94 P95I23-D59 HydrophobicContact CD1-CB 4.28Å; I23-D59 WeakPolarHBondContact CD1-O 3.43Å; D59-P93 VanDerWaalsContact C-CB 3.49Å; D59-P93 WeakPolarHBondContact O-CB 3.23Å; D59-L94 PolarHBondContact N-O 3.19Å; D59-P95 WeakPolarHBondContact OD1-CA 3.31Å
60V96.8Very high95.8Very high62 Ų6251 Ų5138%0.37627%0.274SS..THydrogen-bonded Turntrans-121.3-53.8179.3176.50000110.8I23 L26 N57 K58I23-V60 HydrophobicContact CD1-CG2 3.62Å; I23-V60 HydrophobicContact CG2-CG2 4.15Å; L26-V60 HydrophobicContact CD2-CG2 3.8Å; N57-V60 HydrophobicContact CB-CB 3.93Å; N57-V60 HydrophobicContact CB-CG1 4.42Å; N57-V60 PolarHBondContact O-N 2.78Å; K58-V60 PolarHBondContact O-N 3.48Å
61S98Very high96.4Very high9 Ų945.6 Ų45.66%0.06326%0.255CS..  trans-73.8142.6-178.1-65.20000111.5N57 P93 L94N57-S61 PolarHBondContact N-OG 3.39Å; N57-S61 WeakPolarHBondContact O-CB 3.48Å; N57-S61 PolarHBondContact O-N 3.46Å; N57-S61 PolarHBondContact O-OG 3.13Å; S61-P93 WeakPolarHBondContact O-CA 3.41Å; S61-L94 PolarHBondContact O-N 3.42Å
62T98.2Very high96.5Very high13 Ų1352.6 Ų52.68%0.0827%0.273CS..  trans-117.8165.4-176.266.90000110.7F64 D65 C66 M90 R91 P93T62-F64 PolarHBondContact O-N 2.87Å; T62-F64 PolarHBondContact OG1-N 2.88Å; T62-D65 WeakPolarHBondContact CB-OD2 3.46Å; T62-D65 PolarHBondContact N-OD2 2.98Å; T62-D65 PolarHBondContact O-N 2.9Å; T62-D65 VanDerWaalsContact OG1-CG 3.29Å; T62-D65 PolarHBondContact OG1-N 2.89Å; T62-D65 PolarHBondContact OG1-OD2 2.94Å; T62-C66 PolarHBondContact O-N 2.82Å; T62-C66 VanDerWaalsContact O-N 3.08Å; T62-C66 PolarHBondContact O-SG 3.3Å; T62-M90 WeakPolarHBondContact CB-O 3.4Å; T62-M90 PolarHBondContact OG1-O 3.45Å; T62-R91 WeakPolarHBondContact CG2-O 3.37Å; T62-P93 HydrophobicContact CG2-CG 4.43Å
63P98.4Very high96.5Very high0 Ų054.1 Ų54.10%028%0.281CS..Hα-helixtrans-53.8-32.7168.3-27.534.1000113.8C66 A67 A81 V83 M90 R92 L94 L100 F102P63-C66 WeakPolarHBondContact O-CB 3.24Å; P63-C66 PolarHBondContact O-N 2.95Å; P63-A67 WeakPolarHBondContact O-CB 3.33Å; P63-A67 PolarHBondContact O-N 3.16Å; P63-A81 HydrophobicContact CB-CB 3.57Å; P63-A81 HydrophobicContact CG-CB 3.67Å; P63-V83 HydrophobicContact CG-CG2 4.43Å; P63-M90 HydrophobicContact CB-CE 4.19Å; P63-M90 HydrophobicContact CB-SD 3.86Å; P63-M90 WeakPolarHBondContact CD-O 3.48Å; P63-R92 VanDerWaalsContact CD-O 3.25Å; P63-R92 WeakPolarHBondContact CD-O 3.42Å; P63-L94 HydrophobicContact CG-CD2 4.15Å; P63-L100 HydrophobicContact CB-CD1 3.98Å; P63-L100 HydrophobicContact CB-CD2 4.36Å; P63-L100 HydrophobicContact CG-CD1 4.13Å; P63-F102 HydrophobicContact CB-CE1 4.17Å; P63-F102 VanDerWaalsContact O-CE1 3.26Å; P63-F102 WeakPolarHBondContact O-CE1 3.31Å
64F98.2Very high96.3Very high31 Ų3149.4 Ų49.414%0.13626%0.257CS..Hα-helixtrans-63.3-41.5175.6-176.2-93.9000111.8T62 A67 L68 S75 M90 R91T62-F64 PolarHBondContact O-N 2.87Å; T62-F64 PolarHBondContact OG1-N 2.88Å; F64-A67 WeakPolarHBondContact O-CB 3.47Å; F64-A67 PolarHBondContact O-N 2.81Å; F64-L68 HydrophobicContact CD1-CD1 3.95Å; F64-L68 HydrophobicContact CD1-CG 4.43Å; F64-L68 HydrophobicContact CE1-CD1 3.63Å; F64-L68 HydrophobicContact CE1-CG 4.16Å; F64-L68 HydrophobicContact CZ-CD1 4.44Å; F64-L68 WeakPolarHBondContact O-CG 3.49Å; F64-L68 PolarHBondContact O-N 3.46Å; F64-S75 WeakPolarHBondContact CE2-O 3.34Å; F64-M90 HydrophobicContact CB-CB 4.39Å; F64-M90 HydrophobicContact CB-CE 4.28Å; F64-M90 WeakPolarHBondContact CB-O 3.22Å; F64-M90 PolarHBondContact N-O 3.34Å; F64-R91 HydrophobicContact CB-CG 4.39Å
65D98.2Very high96.2Very high54 Ų5448.2 Ų48.229%0.28925%0.251SS..Hα-helixtrans-66-40.6175.2-53.5-51.6000111.2M56 T62 A67 L68 H69M56-D65 HydrophobicContact CE-CB 3.99Å; T62-D65 WeakPolarHBondContact CB-OD2 3.46Å; T62-D65 PolarHBondContact N-OD2 2.98Å; T62-D65 PolarHBondContact O-N 2.9Å; T62-D65 VanDerWaalsContact OG1-CG 3.29Å; T62-D65 PolarHBondContact OG1-N 2.89Å; T62-D65 PolarHBondContact OG1-OD2 2.94Å; D65-A67 VanDerWaalsContact C-N 3.32Å; D65-A67 PolarHBondContact O-N 3.13Å; D65-L68 WeakPolarHBondContact O-CB 3.46Å; D65-L68 PolarHBondContact O-N 2.75Å; D65-H69 PolarHBondContact O-CD2 3.37Å; D65-H69 PolarHBondContact O-N 3.46Å
66C98Very high95.9Very high0 Ų048.7 Ų48.70%024%0.242CC..Hα-helixtrans-61.4-41.1173.9-57.90000111.6L54 T62 P63 L68 H69 L100 F102L54-C66 HydrophobicContact CD1-CB 4.08Å; T62-C66 PolarHBondContact O-N 2.82Å; T62-C66 VanDerWaalsContact O-N 3.08Å; T62-C66 PolarHBondContact O-SG 3.3Å; P63-C66 WeakPolarHBondContact O-CB 3.24Å; P63-C66 PolarHBondContact O-N 2.95Å; C66-L68 VanDerWaalsContact C-N 3.33Å; C66-L68 PolarHBondContact O-N 3.06Å; C66-H69 WeakPolarHBondContact O-CB 3.22Å; C66-H69 PolarHBondContact O-N 3.23Å; C66-L100 HydrophobicContact CB-CD2 3.5Å; C66-L100 VanDerWaalsContact CB-CD2 3.5Å; C66-F102 HydrophobicContact CB-CZ 4.24Å
67A96.7Very high95.7Very high0 Ų055.1 Ų55.10%027%0.266CS..Hα-helixtrans-63-38.9176.400000112P63 F64 D65 H69 L70 S71 I74 M90 F102P63-A67 WeakPolarHBondContact O-CB 3.33Å; P63-A67 PolarHBondContact O-N 3.16Å; F64-A67 WeakPolarHBondContact O-CB 3.47Å; F64-A67 PolarHBondContact O-N 2.81Å; D65-A67 VanDerWaalsContact C-N 3.32Å; D65-A67 PolarHBondContact O-N 3.13Å; A67-H69 VanDerWaalsContact C-N 3.29Å; A67-H69 PolarHBondContact O-N 3.39Å; A67-L70 PolarHBondContact O-N 2.82Å; A67-S71 CarbonylContact O-C 3.57Å; A67-S71 PolarHBondContact O-N 2.98Å; A67-I74 HydrophobicContact CB-CB 4.42Å; A67-I74 HydrophobicContact CB-CG2 3.82Å; A67-M90 HydrophobicContact CB-CE 4.1Å; A67-F102 HydrophobicContact CB-CD1 4.47Å; A67-F102 HydrophobicContact CB-CE1 3.77Å; A67-F102 HydrophobicContact CB-CE2 4.32Å; A67-F102 HydrophobicContact CB-CZ 3.67Å
68L96.5Very high95.7Very high85 Ų8553.3 Ų53.345%0.44526%0.256SS..Hα-helixtrans-62.7-33.2176.2-74.3171.6000112.9F64 D65 C66 L70 S75F64-L68 HydrophobicContact CD1-CD1 3.95Å; F64-L68 HydrophobicContact CD1-CG 4.43Å; F64-L68 HydrophobicContact CE1-CD1 3.63Å; F64-L68 HydrophobicContact CE1-CG 4.16Å; F64-L68 HydrophobicContact CZ-CD1 4.44Å; F64-L68 WeakPolarHBondContact O-CG 3.49Å; F64-L68 PolarHBondContact O-N 3.46Å; D65-L68 WeakPolarHBondContact O-CB 3.46Å; D65-L68 PolarHBondContact O-N 2.75Å; C66-L68 VanDerWaalsContact C-N 3.33Å; C66-L68 PolarHBondContact O-N 3.06Å; L68-L70 PolarHBondContact O-N 3.35Å; L68-S75 WeakPolarHBondContact CD2-OG 3.38Å
69H95.1Very high95.7Very high126 Ų12650.4 Ų50.458%0.58324%0.244SC*.Hα-helixtrans-66.1-25.2173.2-76.8-71.8000113.3L54 D65 C66 A67L54-H69 HydrophobicContact CD1-CB 3.92Å; L54-H69 HydrophobicContact CD2-CB 4.29Å; D65-H69 PolarHBondContact O-CD2 3.37Å; D65-H69 PolarHBondContact O-N 3.46Å; C66-H69 WeakPolarHBondContact O-CB 3.22Å; C66-H69 PolarHBondContact O-N 3.23Å; A67-H69 VanDerWaalsContact C-N 3.29Å; A67-H69 PolarHBondContact O-N 3.39Å
70L92.9Very high95.8Very high42 Ų4246.8 Ų46.822%0.2223%0.225CC..Hα-helixtrans-89-61.3176.4-61.4-174.8000111.6V33 I52 A67 L68 I74 F102V33-L70 HydrophobicContact CG1-CD1 3.8Å; I52-L70 HydrophobicContact CB-CD2 4.44Å; I52-L70 HydrophobicContact CD1-CD2 3.43Å; I52-L70 VanDerWaalsContact CD1-CD2 3.43Å; I52-L70 HydrophobicContact CG2-CD2 4.22Å; A67-L70 PolarHBondContact O-N 2.82Å; L68-L70 PolarHBondContact O-N 3.35Å; L70-I74 HydrophobicContact CB-CD1 3.69Å; L70-I74 HydrophobicContact CD1-CD1 3.99Å; L70-F102 HydrophobicContact CD1-CE2 3.83Å
71S92.6Very high95.9Very high37 Ų3743.9 Ų43.926%0.25921%0.207SC..  trans-167.6150.4174.572.10000112.2A67 L73 I74 S75A67-S71 CarbonylContact O-C 3.57Å; A67-S71 PolarHBondContact O-N 2.98Å; S71-L73 PolarHBondContact O-N 3.18Å; S71-I74 PolarHBondContact O-N 2.78Å; S71-I74 VanDerWaalsContact O-N 3.16Å; S71-I74 WeakPolarHBondContact OG-CD1 3.19Å; S71-I74 VanDerWaalsContact OG-CG1 3.25Å; S71-I74 WeakPolarHBondContact OG-CG1 3.43Å; S71-I74 PolarHBondContact OG-N 3.07Å; S71-S75 PolarHBondContact O-N 2.95Å
72R93Very high95.8Very high188 Ų18845.6 Ų45.671%0.70921%0.214SC*.Hα-helixtrans-59.1-30.7171.4-174.7168.3-179.2162.72.6113.2I74 S75 D76R72-I74 VanDerWaalsContact C-N 3.31Å; R72-I74 PolarHBondContact O-N 3.03Å; R72-S75 WeakPolarHBondContact CA-OG 3.43Å; R72-S75 PolarHBondContact O-N 3.01Å; R72-S75 PolarHBondContact O-OG 2.7Å; R72-D76 IonicContact NE-OD2 3.39Å; R72-D76 WeakPolarHBondContact O-CB 3.41Å; R72-D76 PolarHBondContact O-N 3.43Å
73L92.3Very high95.8Very high98 Ų9845.4 Ų45.451%0.51321%0.213SC..Hα-helixtrans-63-39.9178.3-170.267.6000111.8S71 R77S71-L73 PolarHBondContact O-N 3.18Å; L73-R77 VanDerWaalsContact CD1-CZ 3.5Å; L73-R77 VanDerWaalsContact O-CB 3.29Å; L73-R77 WeakPolarHBondContact O-CB 3.33Å; L73-R77 VanDerWaalsContact O-CG 3.3Å; L73-R77 WeakPolarHBondContact O-CG 3.42Å; L73-R77 PolarHBondContact O-N 3.16Å
74I93.6Very high95.8Very high6 Ų649.5 Ų49.53%0.03124%0.235CC..Hα-helixtrans-69.8-45.7177.2-64.1163.3000109.8P36 V39 A67 L70 S71 R72 D76 R77 A78 F102 F104P36-I74 HydrophobicContact CG-CD1 4.42Å; P36-I74 HydrophobicContact CG-CG1 4.43Å; V39-I74 HydrophobicContact CG1-CD1 4.48Å; V39-I74 HydrophobicContact CG2-CD1 3.78Å; V39-I74 HydrophobicContact CG2-CG1 4.16Å; A67-I74 HydrophobicContact CB-CB 4.42Å; A67-I74 HydrophobicContact CB-CG2 3.82Å; L70-I74 HydrophobicContact CB-CD1 3.69Å; L70-I74 HydrophobicContact CD1-CD1 3.99Å; S71-I74 PolarHBondContact O-N 2.78Å; S71-I74 VanDerWaalsContact O-N 3.16Å; S71-I74 WeakPolarHBondContact OG-CD1 3.19Å; S71-I74 VanDerWaalsContact OG-CG1 3.25Å; S71-I74 WeakPolarHBondContact OG-CG1 3.43Å; S71-I74 PolarHBondContact OG-N 3.07Å; R72-I74 VanDerWaalsContact C-N 3.31Å; R72-I74 PolarHBondContact O-N 3.03Å; I74-D76 VanDerWaalsContact C-N 3.25Å; I74-D76 PolarHBondContact O-N 2.88Å; I74-R77 PolarHBondContact O-N 3.07Å; I74-A78 WeakPolarHBondContact O-CB 3.34Å; I74-A78 PolarHBondContact O-N 3.04Å; I74-F102 HydrophobicContact CG2-CB 4.4Å; I74-F102 HydrophobicContact CG2-CD1 4.43Å; I74-F102 HydrophobicContact CG2-CD2 3.61Å; I74-F102 HydrophobicContact CG2-CE2 3.96Å; I74-F102 HydrophobicContact CG2-CG 3.87Å; I74-F104 HydrophobicContact CG2-CZ 4.17Å
75S94.4Very high95.7Very high1 Ų150.1 Ų50.11%0.00725%0.25CC..Hα-helixtrans-59.3-37.7-179.164.80000112.6F64 L68 S71 R72F64-S75 WeakPolarHBondContact CE2-O 3.34Å; L68-S75 WeakPolarHBondContact CD2-OG 3.38Å; S71-S75 PolarHBondContact O-N 2.95Å; R72-S75 WeakPolarHBondContact CA-OG 3.43Å; R72-S75 PolarHBondContact O-N 3.01Å; R72-S75 PolarHBondContact O-OG 2.7Å
76D93.4Very high95.7Very high87 Ų8750.5 Ų50.547%0.46525%0.254SS..Hα-helixtrans-80-33.1-177.2-63.3-4.7000111.8R72 I74 Q251R72-D76 IonicContact NE-OD2 3.39Å; R72-D76 WeakPolarHBondContact O-CB 3.41Å; R72-D76 PolarHBondContact O-N 3.43Å; I74-D76 VanDerWaalsContact C-N 3.25Å; I74-D76 PolarHBondContact O-N 2.88Å; D76-Q251 PolarHBondContact O-NE2 3.17Å
77R93.8Very high95.6Very high144 Ų14451.4 Ų51.454%0.54326%0.261SS..Hα-helixtrans-93.7-25.9-174.9-68.8-176.6175.9-178.80.6114.9L73 I74 A79 F104L73-R77 VanDerWaalsContact CD1-CZ 3.5Å; L73-R77 VanDerWaalsContact O-CB 3.29Å; L73-R77 WeakPolarHBondContact O-CB 3.33Å; L73-R77 VanDerWaalsContact O-CG 3.3Å; L73-R77 WeakPolarHBondContact O-CG 3.42Å; L73-R77 PolarHBondContact O-N 3.16Å; I74-R77 PolarHBondContact O-N 3.07Å; R77-A79 PolarHBondContact O-N 3.05Å; R77-F104 HydrophobicContact CB-CD1 4.04Å; R77-F104 HydrophobicContact CB-CE1 4.03Å
78A96.7Very high95.7Very high0 Ų052.8 Ų52.80%027%0.267CS..  trans-64.4122.7179.600000109.6I74 M90 F102 F104 S247 Q251I74-A78 WeakPolarHBondContact O-CB 3.34Å; I74-A78 PolarHBondContact O-N 3.04Å; A78-M90 HydrophobicContact CB-CE 3.69Å; A78-M90 HydrophobicContact CB-CG 4.5Å; A78-M90 HydrophobicContact CB-SD 3.86Å; A78-F102 HydrophobicContact CB-CB 4.12Å; A78-F102 HydrophobicContact CB-CD1 4.15Å; A78-F102 HydrophobicContact CB-CG 4.4Å; A78-F104 HydrophobicContact CB-CE1 3.94Å; A78-F104 HydrophobicContact CB-CZ 4.33Å; A78-S247 PolarHBondContact O-OG 2.99Å; A78-Q251 PolarHBondContact O-NE2 3.38Å
79A97.6Very high95.8Very high0 Ų049 Ų490%025%0.247CC..  trans-83.1-41.5178.300000110.4R77 L103 Y105 V113 I246 S247R77-A79 PolarHBondContact O-N 3.05Å; A79-L103 PolarHBondContact N-O 3.31Å; A79-Y105 HydrophobicContact CB-CD2 4.34Å; A79-Y105 HydrophobicContact CB-CE1 4.27Å; A79-Y105 HydrophobicContact CB-CE2 3.7Å; A79-V113 HydrophobicContact CB-CG1 3.57Å; A79-V113 HydrophobicContact CB-CG2 4.39Å; A79-I246 HydrophobicContact CB-CG2 4.45Å; A79-I246 WeakPolarHBondContact O-CA 3.37Å; A79-S247 PolarHBondContact O-N 2.96Å; A79-S247 VanDerWaalsContact O-N 3.16Å
80L97.8Very high95.9Very high0 Ų043 Ų430%022%0.219CC..EExtended strand (participates in β ladder)trans-142.5171.1-178-76.2179.9000110.6W88 M90 L103 V112 V113 A116 P244 M245L80-W88 WeakPolarHBondContact CD2-O 3.38Å; L80-M90 VanDerWaalsContact C-SD 3.54Å; L80-L103 HydrophobicContact CB-CB 4.18Å; L80-L103 HydrophobicContact CB-CD1 4.16Å; L80-L103 PolarHBondContact N-O 2.99Å; L80-L103 PolarHBondContact O-N 3.29Å; L80-V112 HydrophobicContact CD1-CG1 3.96Å; L80-V113 HydrophobicContact CD1-CG2 4.45Å; L80-A116 HydrophobicContact CD1-CB 3.53Å; L80-A116 HydrophobicContact CD2-CB 4.21Å; L80-A116 HydrophobicContact CG-CB 4.09Å; L80-P244 HydrophobicContact CD1-CG 4.2Å; L80-P244 HydrophobicContact CD2-CB 3.73Å; L80-P244 HydrophobicContact CD2-CG 4Å; L80-M245 WeakPolarHBondContact CD2-O 3.47Å
81A97.9Very high96.1Very high0 Ų044.2 Ų44.20%022%0.221CC..EExtended strand (participates in β ladder)trans-116161.516400000111.3P63 V83 W88 M90 L100 K101P63-A81 HydrophobicContact CB-CB 3.57Å; P63-A81 HydrophobicContact CG-CB 3.67Å; A81-V83 HydrophobicContact CB-CG2 4.44Å; A81-W88 HydrophobicContact CB-CB 4.28Å; A81-W88 PolarHBondContact N-O 3.12Å; A81-W88 PolarHBondContact O-N 3.2Å; A81-M90 HydrophobicContact CB-SD 3.96Å; A81-L100 HydrophobicContact CB-CD1 3.63Å; A81-K101 CarbonylContact C-O 3.59Å; A81-K101 WeakPolarHBondContact CA-O 3.3Å
82M97.8Very high96.3Very high45 Ų4545.2 Ų45.222%0.22222%0.219CC..EExtended strand (participates in β ladder)trans-115.6117.2164.9-169.568.774.500107.1V86 A87 L100 K101 L103M82-V86 WeakPolarHBondContact CA-O 3.37Å; M82-V86 PolarHBondContact SD-N 2.98Å; M82-V86 VanDerWaalsContact SD-N 3.38Å; M82-A87 PolarHBondContact SD-N 3.37Å; M82-L100 WeakPolarHBondContact O-CA 3.47Å; M82-K101 HydrophobicContact CB-CB 4.26Å; M82-K101 PolarHBondContact N-O 2.95Å; M82-K101 PolarHBondContact O-N 2.45Å; M82-L103 HydrophobicContact CB-CD1 4.38Å; M82-L103 HydrophobicContact CB-CD2 4.39Å; M82-L103 HydrophobicContact CB-CG 4.44Å; M82-L103 HydrophobicContact CE-CD1 3.96Å
83V98.2Very high96.6Very high9 Ų938.6 Ų38.66%0.05520%0.201CC..EExtended strand (participates in β ladder)trans-115.7114.2-178177.80000107.8P63 A81 G85 V86 W88 L94 C98 D99 L100P63-V83 HydrophobicContact CG-CG2 4.43Å; A81-V83 HydrophobicContact CB-CG2 4.44Å; V83-G85 PolarHBondContact O-N 3.5Å; V83-V86 PolarHBondContact N-O 3.5Å; V83-V86 PolarHBondContact O-N 3.44Å; V83-W88 HydrophobicContact CB-CB 4.16Å; V83-W88 HydrophobicContact CB-CD2 4.24Å; V83-W88 HydrophobicContact CB-CE3 4.32Å; V83-W88 HydrophobicContact CB-CG 4.2Å; V83-W88 HydrophobicContact CG2-CB 3.61Å; V83-W88 HydrophobicContact CG2-CD2 4.11Å; V83-W88 HydrophobicContact CG2-CG 3.64Å; V83-L94 HydrophobicContact CG1-CD2 3.99Å; V83-L94 HydrophobicContact CG2-CD2 3.71Å; V83-C98 HydrophobicContact CG1-CB 3.69Å; V83-D99 WeakPolarHBondContact CA-O 3.44Å; V83-L100 HydrophobicContact CG2-CD1 3.89Å
84N97.8Very high96.8Very high87 Ų8734 Ų3447%0.46518%0.176SC..THydrogen-bonded Turntrans49.441.1-174.4-64-21.8000112.9V86 C98 D99N84-V86 VanDerWaalsContact C-N 3.28Å; N84-V86 PolarHBondContact O-N 2.8Å; N84-C98 WeakPolarHBondContact ND2-CB 3.21Å; N84-C98 VanDerWaalsContact OD1-CA 3.22Å; N84-C98 WeakPolarHBondContact OD1-CA 3.45Å; N84-C98 WeakPolarHBondContact OD1-CB 3.29Å; N84-D99 PolarHBondContact N-O 3.28Å; N84-D99 PolarHBondContact OD1-N 2.89Å
85G96Very high96.9Very high43 Ų4336.3 Ų36.344%0.44319%0.192SC..THydrogen-bonded Turntrans76.85.4-178.800000115.6V83V83-G85 PolarHBondContact O-N 3.5Å
86V97.1Very high97.1Very high63 Ų6338.9 Ų38.938%0.38221%0.21SC..EExtended strand (participates in β ladder)trans-110.3133.1177.3-177.30000111.2M82 V83 N84 W88 M320M82-V86 WeakPolarHBondContact CA-O 3.37Å; M82-V86 PolarHBondContact SD-N 2.98Å; M82-V86 VanDerWaalsContact SD-N 3.38Å; V83-V86 PolarHBondContact N-O 3.5Å; V83-V86 PolarHBondContact O-N 3.44Å; N84-V86 VanDerWaalsContact C-N 3.28Å; N84-V86 PolarHBondContact O-N 2.8Å; V86-W88 PolarHBondContact O-N 3.1Å; V86-M320 HydrophobicContact CG2-SD 4.4Å
87A97.5Very high97.3Very high18 Ų1839.2 Ų39.215%0.14921%0.212CC..EExtended strand (participates in β ladder)trans-63.3133.4178.400000111.5M82 V112 P244M82-A87 PolarHBondContact SD-N 3.37Å; A87-V112 HydrophobicContact CB-CG1 3.69Å; A87-P244 HydrophobicContact CB-CG 3.87Å
88W98.1Very high97.6Very high30 Ų3032.6 Ų32.611%0.11419%0.187CC..EExtended strand (participates in β ladder)trans-139139.7-168.5-152.8-95.6000111.6L80 A81 V83 V86 R92 P93L80-W88 WeakPolarHBondContact CD2-O 3.38Å; A81-W88 HydrophobicContact CB-CB 4.28Å; A81-W88 PolarHBondContact N-O 3.12Å; A81-W88 PolarHBondContact O-N 3.2Å; V83-W88 HydrophobicContact CB-CB 4.16Å; V83-W88 HydrophobicContact CB-CD2 4.24Å; V83-W88 HydrophobicContact CB-CE3 4.32Å; V83-W88 HydrophobicContact CB-CG 4.2Å; V83-W88 HydrophobicContact CG2-CB 3.61Å; V83-W88 HydrophobicContact CG2-CD2 4.11Å; V83-W88 HydrophobicContact CG2-CG 3.64Å; V86-W88 PolarHBondContact O-N 3.1Å; W88-R92 VanDerWaalsContact CE3-NH1 3.32Å; W88-R92 VanDerWaalsContact CH2-NH1 3.33Å; W88-R92 HydrophobicContact CZ2-CG 3.79Å; W88-R92 VanDerWaalsContact CZ2-CZ 3.46Å; W88-R92 VanDerWaalsContact CZ2-NE 3.35Å; W88-R92 VanDerWaalsContact NE1-CG 3.35Å; W88-R92 PolarHBondContact NE1-O 3.25Å; W88-P93 WeakPolarHBondContact CZ2-O 3.32Å
89D98.4Very high97.6Very high4 Ų435.4 Ų35.42%0.02120%0.202CC..  trans-66.3137.5174.4-47.5-88.1000110R91 R92 R193 Y232 P244 M245D89-R91 PolarHBondContact O-N 3.46Å; D89-R92 HydrophobicContact CB-CB 3.79Å; D89-R92 PolarHBondContact O-N 3.23Å; D89-R193 WeakPolarHBondContact OD2-CD 3.3Å; D89-R193 IonicContact OD2-NH1 3.12Å; D89-R193 PolarHBondContact OD2-NH1 3.03Å; D89-Y232 VanDerWaalsContact OD1-CE1 3.3Å; D89-Y232 WeakPolarHBondContact OD1-CE1 3.14Å; D89-Y232 PolarHBondContact OD1-OH 3.44Å; D89-Y232 PolarHBondContact OD2-OH 3.12Å; D89-Y232 VanDerWaalsContact OD2-OH 3.12Å; D89-P244 WeakPolarHBondContact OD1-CA 3.08Å; D89-P244 WeakPolarHBondContact OD1-CB 3.35Å; D89-M245 PolarHBondContact OD1-N 2.73Å
90M98.2Very high97.6Very high1 Ų135.4 Ų35.41%0.00520%0.202CC..THydrogen-bonded Turntrans-58.2-27.6-179.2-75.9-64.2-64.800113.3T62 P63 F64 A67 A78 L80 A81 F102T62-M90 WeakPolarHBondContact CB-O 3.4Å; T62-M90 PolarHBondContact OG1-O 3.45Å; P63-M90 HydrophobicContact CB-CE 4.19Å; P63-M90 HydrophobicContact CB-SD 3.86Å; P63-M90 WeakPolarHBondContact CD-O 3.48Å; F64-M90 HydrophobicContact CB-CB 4.39Å; F64-M90 HydrophobicContact CB-CE 4.28Å; F64-M90 WeakPolarHBondContact CB-O 3.22Å; F64-M90 PolarHBondContact N-O 3.34Å; A67-M90 HydrophobicContact CB-CE 4.1Å; A78-M90 HydrophobicContact CB-CE 3.69Å; A78-M90 HydrophobicContact CB-CG 4.5Å; A78-M90 HydrophobicContact CB-SD 3.86Å; L80-M90 VanDerWaalsContact C-SD 3.54Å; A81-M90 HydrophobicContact CB-SD 3.96Å; M90-F102 HydrophobicContact CE-CD1 3.79Å; M90-F102 HydrophobicContact CE-CE1 3.77Å; M90-F102 HydrophobicContact SD-CD1 3.83Å; M90-F102 HydrophobicContact SD-CE1 4.18Å
91R97.1Very high97.6Very high68 Ų6840.8 Ų40.826%0.25723%0.226SC..THydrogen-bonded Turntrans-105.410.9-178-59.5-175.6-174.6-77.23.1113.6T62 F64 D89 S247T62-R91 WeakPolarHBondContact CG2-O 3.37Å; F64-R91 HydrophobicContact CB-CG 4.39Å; D89-R91 PolarHBondContact O-N 3.46Å; R91-S247 PolarHBondContact NE-O 3.27Å
92R97Very high97.5Very high57 Ų5741 Ų4122%0.21523%0.226CC..SBendtrans-87.2126.9175.3178-179.4-175.4-157.8-1.4109.4P63 W88 D89 D195P63-R92 VanDerWaalsContact CD-O 3.25Å; P63-R92 WeakPolarHBondContact CD-O 3.42Å; W88-R92 VanDerWaalsContact CE3-NH1 3.32Å; W88-R92 VanDerWaalsContact CH2-NH1 3.33Å; W88-R92 HydrophobicContact CZ2-CG 3.79Å; W88-R92 VanDerWaalsContact CZ2-CZ 3.46Å; W88-R92 VanDerWaalsContact CZ2-NE 3.35Å; W88-R92 VanDerWaalsContact NE1-CG 3.35Å; W88-R92 PolarHBondContact NE1-O 3.25Å; D89-R92 HydrophobicContact CB-CB 3.79Å; D89-R92 PolarHBondContact O-N 3.23Å; R92-D195 IonicContact NH2-OD2 2.92Å
93P97.3Very high97.5Very high50 Ų5039.6 Ų39.633%0.32522%0.22SC..PPolyproline II helixtrans-58.5149.7-179.1-25.834.4000113.9D59 S61 T62 W88D59-P93 VanDerWaalsContact C-CB 3.49Å; D59-P93 WeakPolarHBondContact O-CB 3.23Å; S61-P93 WeakPolarHBondContact O-CA 3.41Å; T62-P93 HydrophobicContact CG2-CG 4.43Å; W88-P93 WeakPolarHBondContact CZ2-O 3.32Å
94L98.1Very high97.3Very high0 Ų040.3 Ų40.30%022%0.223CC..PPolyproline II helixtrans-90.5122178.2-63.7172.5000110I29 V31 D59 S61 P63 V83I29-L94 HydrophobicContact CD1-CB 3.71Å; V31-L94 HydrophobicContact CG1-CD1 4.31Å; V31-L94 HydrophobicContact CG2-CD1 3.85Å; D59-L94 PolarHBondContact N-O 3.19Å; S61-L94 PolarHBondContact O-N 3.42Å; P63-L94 HydrophobicContact CG-CD2 4.15Å; V83-L94 HydrophobicContact CG1-CD2 3.99Å; V83-L94 HydrophobicContact CG2-CD2 3.71Å
95P95.8Very high97.2Very high55 Ų5536.7 Ų36.736%0.35720%0.202SC..  trans-85.3-14.1-172.433.4-36.7000114.3K58 D59K58-P95 VanDerWaalsContact CE-O 3.22Å; K58-P95 WeakPolarHBondContact CE-O 3.22Å; K58-P95 WeakPolarHBondContact CG-O 3.5Å; D59-P95 WeakPolarHBondContact OD1-CA 3.31Å
96S97.6Very high97.1Very high56 Ų5639.9 Ų39.939%0.39221%0.213SC..SBendtrans-164.2176.3-173.665.20000110.9I29 C98I29-S96 WeakPolarHBondContact CD1-O 3.3Å; S96-C98 PolarHBondContact O-N 3.16Å
97D98.6Very high96.9Very high94 Ų9439.1 Ų39.150%0.50321%0.207SC..SBendtrans-50.6138.6166.4-59.1-6.5000110.6I29 E30I29-D97 WeakPolarHBondContact CA-OD1 3.03Å; I29-D97 VanDerWaalsContact CB-OD1 3.28Å; I29-D97 WeakPolarHBondContact CB-OD1 3.35Å; E30-D97 PolarHBondContact N-OD1 2.93Å; E30-D97 WeakPolarHBondContact O-CA 3.29Å
98C98.4Very high96.6Very high5 Ų546.6 Ų46.63%0.03424%0.239CC..EExtended strand (participates in β ladder)trans-161.6157.5-175.655.80000114E30 V31 R32 V83 N84 S96E30-C98 PolarHBondContact O-N 3.2Å; E30-C98 VanDerWaalsContact O-N 3.15Å; V31-C98 WeakPolarHBondContact CA-O 3.47Å; R32-C98 PolarHBondContact N-O 3.4Å; V83-C98 HydrophobicContact CG1-CB 3.69Å; N84-C98 WeakPolarHBondContact ND2-CB 3.21Å; N84-C98 VanDerWaalsContact OD1-CA 3.22Å; N84-C98 WeakPolarHBondContact OD1-CA 3.45Å; N84-C98 WeakPolarHBondContact OD1-CB 3.29Å; S96-C98 PolarHBondContact O-N 3.16Å
99D97.9Very high96.3Very high58 Ų5850.5 Ų50.531%0.3126%0.262SS..EExtended strand (participates in β ladder)trans-84.7128162.7-74.8-84.7000109.8R32 H34 V83 N84R32-D99 IonicContact NE-OD1 3.85Å; R32-D99 IonicContact NE-OD2 3.86Å; R32-D99 WeakPolarHBondContact O-CA 3.45Å; H34-D99 IonicContact CD2-OD1 3.88Å; H34-D99 IonicContact CE1-OD1 2.85Å; H34-D99 IonicContact NE2-OD1 4Å; H34-D99 PolarHBondContact NE2-OD1 2.82Å; V83-D99 WeakPolarHBondContact CA-O 3.44Å; N84-D99 PolarHBondContact N-O 3.28Å; N84-D99 PolarHBondContact OD1-N 2.89Å
100L97.9Very high96.1Very high0 Ų051.9 Ų51.90%027%0.271CS..EExtended strand (participates in β ladder)trans-121.1125.8-176177.564000111.1V31 R32 V33 H34 P63 C66 A81 M82 V83 F102V31-L100 HydrophobicContact CG1-CB 3.7Å; V31-L100 HydrophobicContact CG1-CD2 3.91Å; V31-L100 HydrophobicContact CG1-CG 4.44Å; R32-L100 PolarHBondContact O-N 3.49Å; V33-L100 WeakPolarHBondContact CA-O 3.06Å; V33-L100 HydrophobicContact CG1-CD2 4.36Å; V33-L100 HydrophobicContact CG1-CG 4.48Å; V33-L100 HydrophobicContact CG2-CB 4.41Å; V33-L100 HydrophobicContact CG2-CD2 4.11Å; H34-L100 PolarHBondContact N-O 3.12Å; P63-L100 HydrophobicContact CB-CD1 3.98Å; P63-L100 HydrophobicContact CB-CD2 4.36Å; P63-L100 HydrophobicContact CG-CD1 4.13Å; C66-L100 HydrophobicContact CB-CD2 3.5Å; C66-L100 VanDerWaalsContact CB-CD2 3.5Å; A81-L100 HydrophobicContact CB-CD1 3.63Å; M82-L100 WeakPolarHBondContact O-CA 3.47Å; V83-L100 HydrophobicContact CG2-CD1 3.89Å; L100-F102 HydrophobicContact CD1-CE1 4.48Å; L100-F102 HydrophobicContact CD2-CE1 3.98Å; L100-F102 HydrophobicContact CD2-CZ 3.73Å; L100-F102 HydrophobicContact CG-CE1 4.33Å; L100-F102 HydrophobicContact CG-CZ 4.26Å
101K96.4Very high96Very high114 Ų11453.9 Ų53.950%0.49629%0.285SS..EExtended strand (participates in β ladder)trans-126.1138.5168.8177.6179.5178.7179.80110.3H34 A81 M82H34-K101 HydrophobicContact CB-CB 4.49Å; A81-K101 CarbonylContact C-O 3.59Å; A81-K101 WeakPolarHBondContact CA-O 3.3Å; M82-K101 HydrophobicContact CB-CB 4.26Å; M82-K101 PolarHBondContact N-O 2.95Å; M82-K101 PolarHBondContact O-N 2.45Å
102F96.8Very high95.9Very high3 Ų353.1 Ų53.11%0.01329%0.288CS..EExtended strand (participates in β ladder)trans-86.5141.2173.3-58.6-65.9000111.1V33 P63 C66 A67 L70 I74 A78 M90 L100 F104V33-F102 HydrophobicContact CG1-CD2 4.45Å; V33-F102 HydrophobicContact CG1-CE2 3.62Å; V33-F102 HydrophobicContact CG1-CZ 4.21Å; P63-F102 HydrophobicContact CB-CE1 4.17Å; P63-F102 VanDerWaalsContact O-CE1 3.26Å; P63-F102 WeakPolarHBondContact O-CE1 3.31Å; C66-F102 HydrophobicContact CB-CZ 4.24Å; A67-F102 HydrophobicContact CB-CD1 4.47Å; A67-F102 HydrophobicContact CB-CE1 3.77Å; A67-F102 HydrophobicContact CB-CE2 4.32Å; A67-F102 HydrophobicContact CB-CZ 3.67Å; L70-F102 HydrophobicContact CD1-CE2 3.83Å; I74-F102 HydrophobicContact CG2-CB 4.4Å; I74-F102 HydrophobicContact CG2-CD1 4.43Å; I74-F102 HydrophobicContact CG2-CD2 3.61Å; I74-F102 HydrophobicContact CG2-CE2 3.96Å; I74-F102 HydrophobicContact CG2-CG 3.87Å; A78-F102 HydrophobicContact CB-CB 4.12Å; A78-F102 HydrophobicContact CB-CD1 4.15Å; A78-F102 HydrophobicContact CB-CG 4.4Å; M90-F102 HydrophobicContact CE-CD1 3.79Å; M90-F102 HydrophobicContact CE-CE1 3.77Å; M90-F102 HydrophobicContact SD-CD1 3.83Å; M90-F102 HydrophobicContact SD-CE1 4.18Å; L100-F102 HydrophobicContact CD1-CE1 4.48Å; L100-F102 HydrophobicContact CD2-CE1 3.98Å; L100-F102 HydrophobicContact CD2-CZ 3.73Å; L100-F102 HydrophobicContact CG-CE1 4.33Å; L100-F102 HydrophobicContact CG-CZ 4.26Å; F102-F104 HydrophobicContact CB-CE2 3.71Å; F102-F104 HydrophobicContact CB-CZ 3.71Å
103L96.7Very high95.9Very high16 Ų1650.5 Ų50.58%0.08428%0.278CS..EExtended strand (participates in β ladder)trans-113.9135.8179.2-53.6178000110.8A79 L80 M82 D107 V112 V113A79-L103 PolarHBondContact N-O 3.31Å; L80-L103 HydrophobicContact CB-CB 4.18Å; L80-L103 HydrophobicContact CB-CD1 4.16Å; L80-L103 PolarHBondContact N-O 2.99Å; L80-L103 PolarHBondContact O-N 3.29Å; M82-L103 HydrophobicContact CB-CD1 4.38Å; M82-L103 HydrophobicContact CB-CD2 4.39Å; M82-L103 HydrophobicContact CB-CG 4.44Å; M82-L103 HydrophobicContact CE-CD1 3.96Å; L103-D107 WeakPolarHBondContact CA-OD2 3.38Å; L103-V112 HydrophobicContact CD1-CG1 4.2Å; L103-V113 HydrophobicContact CB-CG2 3.51Å; L103-V113 HydrophobicContact CD1-CG2 4.44Å
104F95.8Very high95.9Very high25 Ų2550.5 Ų50.511%0.1128%0.276CS..  trans-125.4158.1-175.3-54-90.4000111.4P36 I74 R77 A78 F102 T106 D107P36-F104 HydrophobicContact CB-CE2 3.96Å; P36-F104 HydrophobicContact CB-CZ 4.37Å; P36-F104 HydrophobicContact CG-CE2 3.62Å; P36-F104 HydrophobicContact CG-CZ 3.7Å; I74-F104 HydrophobicContact CG2-CZ 4.17Å; R77-F104 HydrophobicContact CB-CD1 4.04Å; R77-F104 HydrophobicContact CB-CE1 4.03Å; A78-F104 HydrophobicContact CB-CE1 3.94Å; A78-F104 HydrophobicContact CB-CZ 4.33Å; F102-F104 HydrophobicContact CB-CE2 3.71Å; F102-F104 HydrophobicContact CB-CZ 3.71Å; F104-T106 PolarHBondContact O-N 3.28Å; F104-T106 VanDerWaalsContact O-N 3.13Å; F104-D107 PolarHBondContact N-OD2 3.36Å; F104-D107 PolarHBondContact O-N 3.26Å
105Y95.2Very high95.8Very high11 Ų1155.3 Ų55.34%0.04330%0.297CS..THydrogen-bonded Turntrans-63.8-15.1174.4-59.8-76.7000113.8A79 V113 Y117 I246 Q251 P280 Q283A79-Y105 HydrophobicContact CB-CD2 4.34Å; A79-Y105 HydrophobicContact CB-CE1 4.27Å; A79-Y105 HydrophobicContact CB-CE2 3.7Å; Y105-V113 HydrophobicContact CD1-CG1 3.36Å; Y105-V113 HydrophobicContact CE1-CG1 3.42Å; Y105-V113 VanDerWaalsContact CE1-CG1 3.42Å; Y105-V113 HydrophobicContact CG-CG1 4.03Å; Y105-Y117 AromaticContact CE1-CD2 3.9Å; Y105-Y117 HydrophobicContact CE1-CD2 3.9Å; Y105-Y117 HydrophobicContact CE1-CG 4.03Å; Y105-Y117 WeakPolarHBondContact OH-CD2 3.35Å; Y105-I246 WeakPolarHBondContact OH-CG2 3.13Å; Y105-Q251 HydrophobicContact CE2-CB 4.3Å; Y105-Q251 HydrophobicContact CE2-CG 4.49Å; Y105-Q251 PolarHBondContact OH-OE1 3.13Å; Y105-P280 HydrophobicContact CD1-CB 3.73Å; Y105-P280 HydrophobicContact CD1-CG 3.38Å; Y105-P280 HydrophobicContact CD2-CB 4.23Å; Y105-P280 HydrophobicContact CE1-CB 3.64Å; Y105-P280 HydrophobicContact CE1-CG 3.37Å; Y105-P280 HydrophobicContact CE2-CB 4.17Å; Y105-P280 HydrophobicContact CG-CB 4.03Å; Y105-P280 HydrophobicContact CG-CG 4.12Å; Y105-Q283 VanDerWaalsContact CB-NE2 3.28Å; Y105-Q283 PolarHBondContact O-NE2 2.9Å
106T92.8Very high95.9Very high110 Ų11052.7 Ų52.768%0.67528%0.28SS*.THydrogen-bonded Turntrans-1045.9-176.950.90000113.4F104F104-T106 PolarHBondContact O-N 3.28Å; F104-T106 VanDerWaalsContact O-N 3.13Å
107D92.8Very high95.9Very high46 Ų4650 Ų5025%0.24626%0.261CS..SBendtrans-64.6154.4173.9-67.9-16.2000110.3L103 F104 D109 P110L103-D107 WeakPolarHBondContact CA-OD2 3.38Å; F104-D107 PolarHBondContact N-OD2 3.36Å; F104-D107 PolarHBondContact O-N 3.26Å; D107-D109 VanDerWaalsContact C-N 3.25Å; D107-D109 PolarHBondContact O-N 2.79Å; D107-P110 WeakPolarHBondContact O-CD 3.26Å
108E91Very high95.9Very high175 Ų17546.8 Ų46.882%0.81824%0.242SC*.SBendtrans-56.9-39.5-179.8-67.8168.2-151.900111.9K37K37-E108 IonicContact NZ-OE1 3.28Å; K37-E108 PolarHBondContact NZ-OE1 3.29Å
109D93.2Very high95.9Very high113 Ų11348.2 Ų48.260%0.60425%0.247SC*.  trans-117.395.616817810.5000110.6D107 S111D107-D109 VanDerWaalsContact C-N 3.25Å; D107-D109 PolarHBondContact O-N 2.79Å; D109-S111 VanDerWaalsContact C-N 3.27Å; D109-S111 PolarHBondContact O-N 3.06Å; D109-S111 WeakPolarHBondContact OD1-CB 3.22Å; D109-S111 PolarHBondContact OD1-N 3.36Å; D109-S111 PolarHBondContact OD1-OG 3.1Å; D109-S111 PolarHBondContact OD2-OG 3.23Å
110P93.9Very high95.9Very high33 Ų3345.5 Ų45.521%0.21423%0.232CC..  trans-8814.5178.735.2-33.7000112.6D107 V112 V113 N114D107-P110 WeakPolarHBondContact O-CD 3.26Å; P110-V112 PolarHBondContact O-N 3.3Å; P110-V113 PolarHBondContact O-N 2.94Å; P110-V113 VanDerWaalsContact O-N 3.16Å; P110-N114 WeakPolarHBondContact O-CB 3.35Å; P110-N114 VanDerWaalsContact O-CG 3.26Å; P110-N114 PolarHBondContact O-N 3.03Å
111S95Very high95.9Very high43 Ų4345.5 Ų45.530%0.30123%0.232SC..Hα-helixtrans-57.4-42.9-171.762.40000113.7D109 N114 K115D109-S111 VanDerWaalsContact C-N 3.27Å; D109-S111 PolarHBondContact O-N 3.06Å; D109-S111 WeakPolarHBondContact OD1-CB 3.22Å; D109-S111 PolarHBondContact OD1-N 3.36Å; D109-S111 PolarHBondContact OD1-OG 3.1Å; D109-S111 PolarHBondContact OD2-OG 3.23Å; S111-N114 PolarHBondContact O-N 3.37Å; S111-K115 WeakPolarHBondContact O-CG 3.09Å; S111-K115 PolarHBondContact O-N 3.49Å
112V96Very high96Very high51 Ų5140.1 Ų40.131%0.30921%0.208SC..Hα-helixtrans-64.6-45.1177.5178.50000111L80 A87 L103 P110 K115 A116L80-V112 HydrophobicContact CD1-CG1 3.96Å; A87-V112 HydrophobicContact CB-CG1 3.69Å; L103-V112 HydrophobicContact CD1-CG1 4.2Å; P110-V112 PolarHBondContact O-N 3.3Å; V112-K115 PolarHBondContact O-N 3.22Å; V112-A116 PolarHBondContact O-N 3.13Å; V112-A116 VanDerWaalsContact O-N 3.1Å
113V97.2Very high96.1Very high2 Ų240 Ų401%0.01221%0.208CC..Hα-helixtrans-64.4-44.2178.1173.20000111A79 L80 L103 Y105 P110 K115 A116 Y117A79-V113 HydrophobicContact CB-CG1 3.57Å; A79-V113 HydrophobicContact CB-CG2 4.39Å; L80-V113 HydrophobicContact CD1-CG2 4.45Å; L103-V113 HydrophobicContact CB-CG2 3.51Å; L103-V113 HydrophobicContact CD1-CG2 4.44Å; Y105-V113 HydrophobicContact CD1-CG1 3.36Å; Y105-V113 HydrophobicContact CE1-CG1 3.42Å; Y105-V113 VanDerWaalsContact CE1-CG1 3.42Å; Y105-V113 HydrophobicContact CG-CG1 4.03Å; P110-V113 PolarHBondContact O-N 2.94Å; P110-V113 VanDerWaalsContact O-N 3.16Å; V113-K115 PolarHBondContact O-N 3.26Å; V113-A116 PolarHBondContact O-N 2.96Å; V113-Y117 WeakPolarHBondContact O-CB 3.31Å; V113-Y117 PolarHBondContact O-N 3.21Å
114N96.4Very high96.2Very high51 Ų5139.2 Ų39.227%0.27320%0.204SC..Hα-helixtrans-62.2-42.1178.7-72.3-16.5000112P110 S111 A116 Y117 W118 V149P110-N114 WeakPolarHBondContact O-CB 3.35Å; P110-N114 VanDerWaalsContact O-CG 3.26Å; P110-N114 PolarHBondContact O-N 3.03Å; S111-N114 PolarHBondContact O-N 3.37Å; N114-A116 PolarHBondContact O-N 2.92Å; N114-Y117 PolarHBondContact O-N 2.99Å; N114-W118 PolarHBondContact O-N 3.46Å; N114-V149 HydrophobicContact CB-CG2 4.32Å
115K96.5Very high96.3Very high100 Ų10038 Ų3844%0.43520%0.199SC..Hα-helixtrans-61.6-42.8174.5-73.7174.9-175.3177.20111.8S111 V112 V113 R119 V149S111-K115 WeakPolarHBondContact O-CG 3.09Å; S111-K115 PolarHBondContact O-N 3.49Å; V112-K115 PolarHBondContact O-N 3.22Å; V113-K115 PolarHBondContact O-N 3.26Å; K115-R119 WeakPolarHBondContact O-CB 3.49Å; K115-R119 PolarHBondContact O-N 2.59Å; K115-V149 HydrophobicContact CG-CG2 4.34Å
116A97.9Very high96.4Very high0 Ų037.5 Ų37.50%020%0.197CC..Hα-helixtrans-69.3-38.7176.900000112.8L80 V112 V113 N114 R119 T120 I246L80-A116 HydrophobicContact CD1-CB 3.53Å; L80-A116 HydrophobicContact CD2-CB 4.21Å; L80-A116 HydrophobicContact CG-CB 4.09Å; V112-A116 PolarHBondContact O-N 3.13Å; V112-A116 VanDerWaalsContact O-N 3.1Å; V113-A116 PolarHBondContact O-N 2.96Å; N114-A116 PolarHBondContact O-N 2.92Å; A116-R119 WeakPolarHBondContact O-CB 3.41Å; A116-R119 PolarHBondContact O-N 2.62Å; A116-T120 PolarHBondContact O-N 2.98Å; A116-T120 PolarHBondContact O-OG1 3.11Å; A116-I246 HydrophobicContact CB-CG2 4.46Å
117Y98.2Very high96.6Very high1 Ų133.5 Ų33.50%0.00417%0.169CC..Hα-helixtrans-59.7-49.3174.8-178.2-106.8000112Y105 V113 N114 R119 T120 C121 I246 L252 G253 S278 V279 P280Y105-Y117 AromaticContact CE1-CD2 3.9Å; Y105-Y117 HydrophobicContact CE1-CD2 3.9Å; Y105-Y117 HydrophobicContact CE1-CG 4.03Å; Y105-Y117 WeakPolarHBondContact OH-CD2 3.35Å; V113-Y117 WeakPolarHBondContact O-CB 3.31Å; V113-Y117 PolarHBondContact O-N 3.21Å; N114-Y117 PolarHBondContact O-N 2.99Å; Y117-R119 VanDerWaalsContact C-N 3.32Å; Y117-R119 PolarHBondContact O-N 3.33Å; Y117-T120 CarbonylContact O-C 3.57Å; Y117-T120 WeakPolarHBondContact O-CB 3.39Å; Y117-T120 PolarHBondContact O-N 3.04Å; Y117-C121 PolarHBondContact O-N 3.4Å; Y117-C121 PolarHBondContact O-SG 3.3Å; Y117-I246 HydrophobicContact CD2-CD1 3.64Å; Y117-I246 HydrophobicContact CD2-CG2 4.21Å; Y117-I246 HydrophobicContact CE2-CD1 4Å; Y117-L252 HydrophobicContact CE2-CD2 4.27Å; Y117-G253 PolarHBondContact OH-N 2.98Å; Y117-S278 PolarHBondContact OH-OG 3.34Å; Y117-V279 PolarHBondContact OH-O 3.27Å; Y117-P280 HydrophobicContact CD1-CG 3.72Å; Y117-P280 HydrophobicContact CD2-CB 4.36Å; Y117-P280 HydrophobicContact CD2-CG 3.99Å; Y117-P280 HydrophobicContact CE1-CB 4.49Å; Y117-P280 HydrophobicContact CE1-CG 3.74Å; Y117-P280 HydrophobicContact CE2-CB 4.01Å; Y117-P280 HydrophobicContact CE2-CG 3.94Å; Y117-P280 HydrophobicContact CG-CG 3.91Å
118W97.8Very high96.9Very high25 Ų2531.4 Ų31.410%0.09516%0.158CC..Hα-helixtrans-67.2-32.8177.1-84.327.6000112.7N114 C121 S122 V147 V149 S153 F154N114-W118 PolarHBondContact O-N 3.46Å; W118-C121 WeakPolarHBondContact O-CB 3.47Å; W118-C121 PolarHBondContact O-N 3.31Å; W118-S122 PolarHBondContact O-N 2.97Å; W118-V147 HydrophobicContact CB-CG1 3.56Å; W118-V147 HydrophobicContact CE3-CG1 4.25Å; W118-V147 HydrophobicContact CG-CG1 4.47Å; W118-V149 HydrophobicContact CD2-CG1 4.37Å; W118-V149 HydrophobicContact CD2-CG2 4.23Å; W118-V149 HydrophobicContact CE3-CB 4.35Å; W118-V149 HydrophobicContact CE3-CG1 4.43Å; W118-V149 HydrophobicContact CE3-CG2 4.27Å; W118-V149 HydrophobicContact CH2-CG1 3.96Å; W118-V149 VanDerWaalsContact CH2-O 3.23Å; W118-V149 WeakPolarHBondContact CH2-O 3.22Å; W118-V149 HydrophobicContact CZ2-CG1 3.91Å; W118-V149 VanDerWaalsContact CZ3-CA 3.49Å; W118-V149 HydrophobicContact CZ3-CB 4.34Å; W118-V149 HydrophobicContact CZ3-CG1 4.25Å; W118-V149 WeakPolarHBondContact CZ3-O 3.49Å; W118-S153 VanDerWaalsContact CZ3-C 3.41Å; W118-F154 HydrophobicContact CB-CB 4.35Å; W118-F154 HydrophobicContact CE3-CB 4.39Å; W118-F154 HydrophobicContact CG-CD1 4.48Å
119R97.8Very high97.1Very high36 Ų3623.1 Ų23.114%0.13612%0.119CC..Hα-helixtrans-63.1-43.4171.8-175.1-176.9-62.71093.3111.4K115 A116 Y117 C121 S122 L123 V147 G243 P244 M245K115-R119 WeakPolarHBondContact O-CB 3.49Å; K115-R119 PolarHBondContact O-N 2.59Å; A116-R119 WeakPolarHBondContact O-CB 3.41Å; A116-R119 PolarHBondContact O-N 2.62Å; Y117-R119 VanDerWaalsContact C-N 3.32Å; Y117-R119 PolarHBondContact O-N 3.33Å; R119-C121 VanDerWaalsContact C-N 3.31Å; R119-S122 WeakPolarHBondContact O-CB 3.42Å; R119-S122 PolarHBondContact O-N 3.3Å; R119-L123 PolarHBondContact O-N 3.18Å; R119-L123 VanDerWaalsContact O-N 3.16Å; R119-V147 HydrophobicContact CB-CG2 3.96Å; R119-G243 PolarHBondContact NH1-O 3.2Å; R119-P244 PolarHBondContact NH1-O 3.44Å; R119-M245 HydrophobicContact CG-CE 4.32Å
120T98.4Very high97.2Very high0 Ų018.1 Ų18.10%09%0.092CC..Hα-helixtrans-60.8-42.4171.2-64.80000110.8A116 Y117 S122 L123 I124 I191 M245 I246A116-T120 PolarHBondContact O-N 2.98Å; A116-T120 PolarHBondContact O-OG1 3.11Å; Y117-T120 CarbonylContact O-C 3.57Å; Y117-T120 WeakPolarHBondContact O-CB 3.39Å; Y117-T120 PolarHBondContact O-N 3.04Å; T120-S122 VanDerWaalsContact C-N 3.3Å; T120-S122 PolarHBondContact O-N 2.94Å; T120-L123 WeakPolarHBondContact O-CA 3.49Å; T120-L123 WeakPolarHBondContact O-CB 3.33Å; T120-L123 PolarHBondContact O-N 3.18Å; T120-I124 HydrophobicContact CG2-CG1 4.08Å; T120-I124 WeakPolarHBondContact O-CG1 3.33Å; T120-I124 PolarHBondContact O-N 3.23Å; T120-I191 HydrophobicContact CG2-CD1 3.31Å; T120-M245 WeakPolarHBondContact OG1-CB 3.39Å; T120-I246 HydrophobicContact CG2-CD1 3.74Å; T120-I246 HydrophobicContact CG2-CG1 3.81Å; T120-I246 PolarHBondContact OG1-N 3.27Å
121C98.5Very high97.2Very high0 Ų018.8 Ų18.80%010%0.096CC..Hα-helixtrans-59.7-39.3177.5-65.90000112.3Y117 W118 R119 I124 L125 F154 Y255Y117-C121 PolarHBondContact O-N 3.4Å; Y117-C121 PolarHBondContact O-SG 3.3Å; W118-C121 WeakPolarHBondContact O-CB 3.47Å; W118-C121 PolarHBondContact O-N 3.31Å; R119-C121 VanDerWaalsContact C-N 3.31Å; C121-I124 PolarHBondContact O-N 3.48Å; C121-L125 WeakPolarHBondContact O-CB 3.34Å; C121-L125 PolarHBondContact O-N 3.31Å; C121-F154 HydrophobicContact CB-CB 4.34Å; C121-F154 HydrophobicContact CB-CD1 3.38Å; C121-F154 HydrophobicContact CB-CD2 3.85Å; C121-F154 HydrophobicContact CB-CE1 3.48Å; C121-F154 VanDerWaalsContact CB-CE1 3.48Å; C121-F154 HydrophobicContact CB-CE2 3.97Å; C121-F154 HydrophobicContact CB-CG 3.57Å; C121-F154 HydrophobicContact CB-CZ 3.8Å; C121-Y255 HydrophobicContact CB-CE2 3.89Å; C121-Y255 PolarHBondContact O-OH 2.91Å; C121-Y255 VanDerWaalsContact O-OH 3.08Å
122S98.4Very high97.2Very high1 Ų119.1 Ų19.11%0.00710%0.099CC..Hα-helixtrans-59.4-46.9169.7-74.10000112.2W118 R119 T120 I124 L125 G126 W144 V155 Y156W118-S122 PolarHBondContact O-N 2.97Å; R119-S122 WeakPolarHBondContact O-CB 3.42Å; R119-S122 PolarHBondContact O-N 3.3Å; T120-S122 VanDerWaalsContact C-N 3.3Å; T120-S122 PolarHBondContact O-N 2.94Å; S122-I124 VanDerWaalsContact C-N 3.31Å; S122-I124 PolarHBondContact O-N 3.43Å; S122-L125 WeakPolarHBondContact O-CB 3.21Å; S122-L125 PolarHBondContact O-N 3.18Å; S122-L125 VanDerWaalsContact O-N 3.09Å; S122-G126 PolarHBondContact O-N 3.19Å; S122-W144 VanDerWaalsContact CB-CD1 3.48Å; S122-V155 WeakPolarHBondContact CB-O 3.46Å; S122-V155 PolarHBondContact OG-N 3.09Å; S122-V155 PolarHBondContact OG-O 2.79Å; S122-Y156 WeakPolarHBondContact O-CD2 3.46Å
123L98.3Very high97Very high0 Ų018.8 Ų18.80%09%0.093CC..Hα-helixtrans-56.2-46.1174.7177.971.5000111.5R119 T120 L125 G126 Y127 W144 I191 V234 D239 M245R119-L123 PolarHBondContact O-N 3.18Å; R119-L123 VanDerWaalsContact O-N 3.16Å; T120-L123 WeakPolarHBondContact O-CA 3.49Å; T120-L123 WeakPolarHBondContact O-CB 3.33Å; T120-L123 PolarHBondContact O-N 3.18Å; L123-L125 VanDerWaalsContact C-N 3.29Å; L123-L125 PolarHBondContact O-N 2.85Å; L123-G126 PolarHBondContact O-N 2.87Å; L123-G126 VanDerWaalsContact O-N 3.15Å; L123-Y127 PolarHBondContact O-N 3.28Å; L123-Y127 VanDerWaalsContact O-N 3.09Å; L123-W144 HydrophobicContact CB-CH2 4.37Å; L123-W144 HydrophobicContact CB-CZ2 4.46Å; L123-W144 HydrophobicContact CD1-CH2 4.15Å; L123-I191 HydrophobicContact CD2-CG2 4.42Å; L123-V234 HydrophobicContact CD2-CB 4.39Å; L123-V234 HydrophobicContact CD2-CG1 3.81Å; L123-V234 HydrophobicContact CG-CG1 4.08Å; L123-D239 HydrophobicContact CD1-CB 3.52Å; L123-M245 HydrophobicContact CB-CE 4.09Å; L123-M245 HydrophobicContact CB-SD 4.22Å; L123-M245 HydrophobicContact CD2-CE 3.96Å; L123-M245 HydrophobicContact CD2-SD 3.49Å; L123-M245 WeakPolarHBondContact CD2-SD 3.47Å; L123-M245 HydrophobicContact CG-CE 4.44Å; L123-M245 HydrophobicContact CG-SD 4.43Å
124I98.5Very high96.5Very high0 Ų026.4 Ų26.40%013%0.126CC..Hα-helixtrans-63.7-35.3177.3-61.4-55.3000111.4T120 C121 S122 G126 Y127 I128 L184 V234 T249 L252 Y255T120-I124 HydrophobicContact CG2-CG1 4.08Å; T120-I124 WeakPolarHBondContact O-CG1 3.33Å; T120-I124 PolarHBondContact O-N 3.23Å; C121-I124 PolarHBondContact O-N 3.48Å; S122-I124 VanDerWaalsContact C-N 3.31Å; S122-I124 PolarHBondContact O-N 3.43Å; I124-G126 VanDerWaalsContact C-N 3.33Å; I124-G126 PolarHBondContact O-N 2.96Å; I124-Y127 WeakPolarHBondContact O-CB 3.22Å; I124-Y127 PolarHBondContact O-N 3.18Å; I124-I128 HydrophobicContact CG2-CD1 3.93Å; I124-I128 HydrophobicContact CG2-CG1 4.34Å; I124-I128 VanDerWaalsContact O-CG1 3.22Å; I124-I128 WeakPolarHBondContact O-CG1 3.36Å; I124-I128 PolarHBondContact O-N 2.98Å; I124-L184 HydrophobicContact CD1-CD1 4.05Å; I124-L184 HydrophobicContact CG2-CD1 3.71Å; I124-V234 HydrophobicContact CD1-CG1 4.09Å; I124-V234 HydrophobicContact CD1-CG2 3.94Å; I124-T249 HydrophobicContact CD1-CG2 4.22Å; I124-L252 HydrophobicContact CD1-CD1 4.31Å; I124-L252 HydrophobicContact CG1-CD1 4.07Å; I124-L252 HydrophobicContact CG1-CD2 4.25Å; I124-L252 HydrophobicContact CG2-CD1 4.38Å; I124-Y255 HydrophobicContact CB-CE2 4.49Å; I124-Y255 HydrophobicContact CG2-CE2 4.24Å
125L98.5Very high96Very high0 Ų031.9 Ų31.90%015%0.15CC..Hα-helixtrans-62-41.8173.6-170.954.2000111.3C121 S122 L123 Y127 I128 L129 F154 Y255 V257 V274C121-L125 WeakPolarHBondContact O-CB 3.34Å; C121-L125 PolarHBondContact O-N 3.31Å; S122-L125 WeakPolarHBondContact O-CB 3.21Å; S122-L125 PolarHBondContact O-N 3.18Å; S122-L125 VanDerWaalsContact O-N 3.09Å; L123-L125 VanDerWaalsContact C-N 3.29Å; L123-L125 PolarHBondContact O-N 2.85Å; L125-Y127 PolarHBondContact O-N 3.22Å; L125-I128 PolarHBondContact O-N 3.01Å; L125-L129 HydrophobicContact CD1-CG 4.46Å; L125-L129 HydrophobicContact CG-CD1 4.23Å; L125-L129 WeakPolarHBondContact O-CB 3.31Å; L125-L129 VanDerWaalsContact O-CG 3.23Å; L125-L129 WeakPolarHBondContact O-CG 3.26Å; L125-L129 PolarHBondContact O-N 3.44Å; L125-F154 HydrophobicContact CB-CE2 4.36Å; L125-F154 HydrophobicContact CD2-CD2 4.2Å; L125-F154 HydrophobicContact CD2-CE2 4.1Å; L125-Y255 WeakPolarHBondContact CA-OH 3.31Å; L125-Y255 WeakPolarHBondContact CB-OH 3.49Å; L125-Y255 PolarHBondContact N-OH 3.28Å; L125-V257 HydrophobicContact CD1-CG1 4.48Å; L125-V257 HydrophobicContact CD1-CG2 3.78Å; L125-V274 HydrophobicContact CD1-CG1 3.91Å; L125-V274 HydrophobicContact CD2-CB 4.14Å; L125-V274 HydrophobicContact CD2-CG1 4Å; L125-V274 WeakPolarHBondContact CD2-O 3.35Å; L125-V274 HydrophobicContact CG-CG1 4.29Å
126G97.9Very high95.4Very high0 Ų032.6 Ų32.60%016%0.159CC..Hα-helixtrans-56.8-47.3171.900000112.3S122 L123 I124 I128 L129 E130S122-G126 PolarHBondContact O-N 3.19Å; L123-G126 PolarHBondContact O-N 2.87Å; L123-G126 VanDerWaalsContact O-N 3.15Å; I124-G126 VanDerWaalsContact C-N 3.33Å; I124-G126 PolarHBondContact O-N 2.96Å; G126-I128 PolarHBondContact O-N 2.91Å; G126-L129 PolarHBondContact O-N 3.09Å; G126-E130 PolarHBondContact O-N 2.62Å
127Y97.4Very high95Very high27 Ų2733.5 Ų33.511%0.10616%0.164CC..Hα-helixtrans-57.4-47.2174.2174.8-103.2000112.9L123 I124 L125 L129 E130 T131 L184 D236 H237L123-Y127 PolarHBondContact O-N 3.28Å; L123-Y127 VanDerWaalsContact O-N 3.09Å; I124-Y127 WeakPolarHBondContact O-CB 3.22Å; I124-Y127 PolarHBondContact O-N 3.18Å; L125-Y127 PolarHBondContact O-N 3.22Å; Y127-L129 VanDerWaalsContact C-N 3.32Å; Y127-L129 PolarHBondContact O-N 3.03Å; Y127-E130 PolarHBondContact O-N 2.76Å; Y127-T131 HydrophobicContact CD2-CG2 3.95Å; Y127-T131 HydrophobicContact CE1-CG2 4.23Å; Y127-T131 HydrophobicContact CE2-CG2 3.59Å; Y127-T131 HydrophobicContact CG-CG2 4.48Å; Y127-T131 WeakPolarHBondContact O-CB 3.37Å; Y127-T131 WeakPolarHBondContact O-CG2 3.23Å; Y127-T131 PolarHBondContact O-N 3.02Å; Y127-T131 VanDerWaalsContact O-N 3.1Å; Y127-T131 PolarHBondContact O-OG1 2.77Å; Y127-L184 HydrophobicContact CD1-CD1 3.58Å; Y127-L184 HydrophobicContact CD1-CD2 4.19Å; Y127-L184 HydrophobicContact CD1-CG 4.22Å; Y127-L184 HydrophobicContact CE1-CD1 3.76Å; Y127-L184 HydrophobicContact CE1-CD2 3.74Å; Y127-L184 HydrophobicContact CE1-CG 3.88Å; Y127-D236 VanDerWaalsContact CE2-OD1 3.31Å; Y127-D236 WeakPolarHBondContact CE2-OD1 3.24Å; Y127-H237 HydrophobicContact CD2-CB 3.51Å; Y127-H237 HydrophobicContact CE2-CB 4.29Å; Y127-H237 HydrophobicContact CG-CB 4.35Å
128I97.5Very high94.5Very high1 Ų138.2 Ų38.21%0.00519%0.189CC..Hα-helixtrans-58.7-46.7179.2-70.8166.9000110.3I124 L125 G126 E130 T131 S132 L176 P180 P181 Y255I124-I128 HydrophobicContact CG2-CD1 3.93Å; I124-I128 HydrophobicContact CG2-CG1 4.34Å; I124-I128 VanDerWaalsContact O-CG1 3.22Å; I124-I128 WeakPolarHBondContact O-CG1 3.36Å; I124-I128 PolarHBondContact O-N 2.98Å; L125-I128 PolarHBondContact O-N 3.01Å; G126-I128 PolarHBondContact O-N 2.91Å; I128-E130 VanDerWaalsContact C-N 3.33Å; I128-E130 PolarHBondContact O-N 3.21Å; I128-T131 PolarHBondContact O-N 3.37Å; I128-T131 PolarHBondContact O-OG1 3.48Å; I128-S132 WeakPolarHBondContact O-CB 3.29Å; I128-S132 PolarHBondContact O-N 3.14Å; I128-S132 PolarHBondContact O-OG 3.34Å; I128-L176 HydrophobicContact CG2-CB 4.31Å; I128-L176 HydrophobicContact CG2-CD2 3.72Å; I128-P180 HydrophobicContact CD1-CB 4.48Å; I128-P180 HydrophobicContact CG1-CB 3.82Å; I128-P180 HydrophobicContact CG1-CG 4.22Å; I128-P180 HydrophobicContact CG2-CG 4.37Å; I128-P181 HydrophobicContact CD1-CG 3.85Å; I128-Y255 HydrophobicContact CD1-CD1 4.4Å; I128-Y255 HydrophobicContact CD1-CE1 3.62Å
129L96.7Very high94.4Very high1 Ų137.2 Ų37.21%0.00519%0.185CC..Hα-helixtrans-65.6-34.3-179.6-67.5172.4000112.2L125 G126 Y127 T131 F133 V139 L141 Y156 V158 F160 F260 V274L125-L129 HydrophobicContact CD1-CG 4.46Å; L125-L129 HydrophobicContact CG-CD1 4.23Å; L125-L129 WeakPolarHBondContact O-CB 3.31Å; L125-L129 VanDerWaalsContact O-CG 3.23Å; L125-L129 WeakPolarHBondContact O-CG 3.26Å; L125-L129 PolarHBondContact O-N 3.44Å; G126-L129 PolarHBondContact O-N 3.09Å; Y127-L129 VanDerWaalsContact C-N 3.32Å; Y127-L129 PolarHBondContact O-N 3.03Å; L129-T131 VanDerWaalsContact C-N 3.35Å; L129-F133 HydrophobicContact CD2-CE2 3.93Å; L129-F133 VanDerWaalsContact O-CD2 3.23Å; L129-F133 WeakPolarHBondContact O-CD2 3.31Å; L129-V139 HydrophobicContact CB-CG1 4.08Å; L129-L141 HydrophobicContact CB-CD2 4.13Å; L129-L141 HydrophobicContact CD1-CD2 4.45Å; L129-Y156 HydrophobicContact CD1-CD1 4.47Å; L129-V158 HydrophobicContact CD1-CB 4.36Å; L129-V158 HydrophobicContact CD1-CG1 4.18Å; L129-F160 HydrophobicContact CD2-CZ 4.25Å; L129-F260 HydrophobicContact CD2-CE1 4.38Å; L129-F260 HydrophobicContact CD2-CZ 4.19Å; L129-V274 HydrophobicContact CD1-CB 4.11Å; L129-V274 HydrophobicContact CD1-CG1 4.49Å; L129-V274 HydrophobicContact CD1-CG2 3.91Å; L129-V274 HydrophobicContact CD2-CG1 4.31Å; L129-V274 HydrophobicContact CD2-CG2 4.07Å
130E94.1Very high94.3Very high8 Ų836 Ų364%0.03718%0.182CC..Hα-helixtrans-77.1-18.6175.8-73.1-174.6151.400114.1M1 R5 R8 G126 Y127 I128 L141 H237M1-E130 HydrophobicContact CE-CB 4.25Å; M1-E130 HydrophobicContact CE-CG 3.78Å; R5-E130 VanDerWaalsContact CD-OE2 3.31Å; R5-E130 WeakPolarHBondContact CD-OE2 3.39Å; R5-E130 PolarHBondContact NH1-O 3.06Å; R8-E130 IonicContact CZ-OE1 3.73Å; R8-E130 IonicContact NH1-OE1 3.83Å; R8-E130 IonicContact NH2-OE1 3.61Å; R8-E130 PolarHBondContact NH2-OE1 3.47Å; R8-E130 IonicContact NH2-OE2 2.83Å; G126-E130 PolarHBondContact O-N 2.62Å; Y127-E130 PolarHBondContact O-N 2.76Å; I128-E130 VanDerWaalsContact C-N 3.33Å; I128-E130 PolarHBondContact O-N 3.21Å; E130-L141 VanDerWaalsContact CD-CD1 3.42Å; E130-L141 HydrophobicContact CG-CD1 3.64Å; E130-L141 HydrophobicContact CG-CD2 4.17Å; E130-L141 HydrophobicContact CG-CG 3.77Å; E130-L141 WeakPolarHBondContact OE1-CD1 3.41Å; E130-H237 IonicContact OE2-CE1 3.09Å; E130-H237 PolarHBondContact OE2-CE1 3.21Å; E130-H237 IonicContact OE2-CG 3.48Å; E130-H237 IonicContact OE2-ND1 2.84Å; E130-H237 PolarHBondContact OE2-ND1 3.47Å
131T94.6Very high94.3Very high47 Ų4736.1 Ų36.129%0.28818%0.182SC..Hα-helixtrans-110.1-17.6-172.153.10000114.7Y127 I128 L129Y127-T131 HydrophobicContact CD2-CG2 3.95Å; Y127-T131 HydrophobicContact CE1-CG2 4.23Å; Y127-T131 HydrophobicContact CE2-CG2 3.59Å; Y127-T131 HydrophobicContact CG-CG2 4.48Å; Y127-T131 WeakPolarHBondContact O-CB 3.37Å; Y127-T131 WeakPolarHBondContact O-CG2 3.23Å; Y127-T131 PolarHBondContact O-N 3.02Å; Y127-T131 VanDerWaalsContact O-N 3.1Å; Y127-T131 PolarHBondContact O-OG1 2.77Å; I128-T131 PolarHBondContact O-N 3.37Å; I128-T131 PolarHBondContact O-OG1 3.48Å; L129-T131 VanDerWaalsContact C-N 3.35Å
132S94.1Very high94.2Very high51 Ų5136.1 Ų36.136%0.35718%0.182SC..SBendtrans-95.2-9.3-171.8-55.40000114.5I128I128-S132 WeakPolarHBondContact O-CB 3.29Å; I128-S132 PolarHBondContact O-N 3.14Å; I128-S132 PolarHBondContact O-OG 3.34Å
133F91.7Very high94Very high44 Ų4436.3 Ų36.319%0.19318%0.184CC..SBendtrans-103.6154.9-179.4-66.4-94.9000111.7L129 V137 V139 F160 W166L129-F133 HydrophobicContact CD2-CE2 3.93Å; L129-F133 VanDerWaalsContact O-CD2 3.23Å; L129-F133 WeakPolarHBondContact O-CD2 3.31Å; F133-V137 HydrophobicContact CB-CB 4.05Å; F133-V137 HydrophobicContact CB-CG1 4.19Å; F133-V137 HydrophobicContact CD1-CB 4.41Å; F133-V137 HydrophobicContact CD1-CG1 3.89Å; F133-V137 HydrophobicContact CG-CG1 4.25Å; F133-V139 HydrophobicContact CB-CG2 4.11Å; F133-V139 HydrophobicContact CD2-CG2 3.84Å; F133-V139 HydrophobicContact CE2-CG2 4.42Å; F133-V139 HydrophobicContact CG-CG2 3.97Å; F133-F160 HydrophobicContact CE1-CE1 4.06Å; F133-F160 AromaticContact CE2-CE1 3.96Å; F133-F160 HydrophobicContact CE2-CE1 3.96Å; F133-F160 HydrophobicContact CE2-CZ 4.47Å; F133-F160 AromaticContact CZ-CE1 3.63Å; F133-F160 HydrophobicContact CZ-CE1 3.63Å; F133-F160 HydrophobicContact CZ-CZ 4.11Å; F133-W166 HydrophobicContact CE1-CE3 4.23Å; F133-W166 AromaticContact CE1-CH2 3.87Å; F133-W166 HydrophobicContact CE1-CH2 3.87Å; F133-W166 AromaticContact CE1-CZ3 3.62Å; F133-W166 HydrophobicContact CE1-CZ3 3.62Å; F133-W166 HydrophobicContact CZ-CH2 4.25Å; F133-W166 AromaticContact CZ-CZ3 3.83Å; F133-W166 HydrophobicContact CZ-CZ3 3.83Å
134K88Confident93.9Very high161 Ų16137.4 Ų37.470%0.719%0.188SC*.  trans-65.8157.8172.9-65.5-178.6-179.6179.30110.8D136 V137K134-D136 WeakPolarHBondContact CB-OD1 3.36Å; K134-D136 PolarHBondContact O-N 3.46Å; K134-V137 PolarHBondContact O-N 3.46Å
135E84.3Confident93.6Very high166 Ų16637.9 Ų37.978%0.77619%0.191SC*.THydrogen-bonded Turntrans-64.6-23.2-174.5-59.6-165.5142.500114.6V137E135-V137 VanDerWaalsContact C-N 3.31Å
136D85.4Confident93.2Very high116 Ų11640.5 Ų40.562%0.6221%0.213SC*.THydrogen-bonded Turntrans-75.6-18.6175.661.6-39.8000113.1K134 L138K134-D136 WeakPolarHBondContact CB-OD1 3.36Å; K134-D136 PolarHBondContact O-N 3.46Å; D136-L138 PolarHBondContact O-N 3.12Å
137V88.9Confident92.7Very high19 Ų1941.5 Ų41.512%0.11522%0.219CC..SBendtrans-88.7102.1174.6-176.90000109F133 K134 E135 V139F133-V137 HydrophobicContact CB-CB 4.05Å; F133-V137 HydrophobicContact CB-CG1 4.19Å; F133-V137 HydrophobicContact CD1-CB 4.41Å; F133-V137 HydrophobicContact CD1-CG1 3.89Å; F133-V137 HydrophobicContact CG-CG1 4.25Å; K134-V137 PolarHBondContact O-N 3.46Å; E135-V137 VanDerWaalsContact C-N 3.31Å; V137-V139 HydrophobicContact CG1-CG2 4.11Å; V137-V139 PolarHBondContact O-N 3.29Å; V137-V139 VanDerWaalsContact O-N 3.11Å
138L88.3Confident92.4Very high100 Ų10042.5 Ų42.552%0.52423%0.226SC..  trans-73.2104.7175.6-17666.8000110.6D136D136-L138 PolarHBondContact O-N 3.12Å
139V94.5Very high92.1Very high3 Ų344.8 Ų44.82%0.01824%0.24CC..  trans-96.4106.8172.6-176.60000108.9M1 L129 F133 V137 L141 V158 F160M1-V139 WeakPolarHBondContact CE-O 3.39Å; L129-V139 HydrophobicContact CB-CG1 4.08Å; F133-V139 HydrophobicContact CB-CG2 4.11Å; F133-V139 HydrophobicContact CD2-CG2 3.84Å; F133-V139 HydrophobicContact CE2-CG2 4.42Å; F133-V139 HydrophobicContact CG-CG2 3.97Å; V137-V139 HydrophobicContact CG1-CG2 4.11Å; V137-V139 PolarHBondContact O-N 3.29Å; V137-V139 VanDerWaalsContact O-N 3.11Å; V139-L141 HydrophobicContact CG1-CD2 4.19Å; V139-V158 HydrophobicContact CG1-CG2 3.43Å; V139-V158 VanDerWaalsContact CG1-CG2 3.43Å; V139-F160 HydrophobicContact CG1-CE1 4.36Å; V139-F160 HydrophobicContact CG2-CD1 4.16Å; V139-F160 HydrophobicContact CG2-CE1 4Å
140T96.4Very high91.9Very high12 Ų1254.8 Ų54.87%0.07428%0.278CS..EExtended strand (participates in β ladder)trans-102.4103177.9-49.50000109.8H142 V158 D159 F210T140-H142 PolarHBondContact O-N 3.45Å; T140-V158 WeakPolarHBondContact O-CG2 3.25Å; T140-D159 PolarHBondContact N-O 3.26Å; T140-D159 PolarHBondContact O-N 3.19Å; T140-F210 HydrophobicContact CG2-CD2 3.71Å; T140-F210 HydrophobicContact CG2-CE2 3.84Å
141L97.4Very high91.8Very high1 Ų155.4 Ų55.41%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-64.5127.8179.3-65-168.3000111.6L129 E130 V139 Y156 V158 N208L129-L141 HydrophobicContact CB-CD2 4.13Å; L129-L141 HydrophobicContact CD1-CD2 4.45Å; E130-L141 VanDerWaalsContact CD-CD1 3.42Å; E130-L141 HydrophobicContact CG-CD1 3.64Å; E130-L141 HydrophobicContact CG-CD2 4.17Å; E130-L141 HydrophobicContact CG-CG 3.77Å; E130-L141 WeakPolarHBondContact OE1-CD1 3.41Å; V139-L141 HydrophobicContact CG1-CD2 4.19Å; L141-Y156 HydrophobicContact CB-CE1 3.73Å; L141-Y156 HydrophobicContact CD1-CE1 4.31Å; L141-Y156 HydrophobicContact CD2-CD1 4.17Å; L141-Y156 HydrophobicContact CD2-CE1 3.71Å; L141-Y156 HydrophobicContact CG-CE1 4.12Å; L141-V158 HydrophobicContact CD2-CG2 4Å; L141-N208 PolarHBondContact O-ND2 2.89Å; L141-N208 PolarHBondContact O-OD1 3.23Å
142H96.8Very high91.9Very high0 Ų054.6 Ų54.60%028%0.284CS..EExtended strand (participates in β ladder)trans-91.5-84.6174.1-175.8-69.9000110.6T140 D157 F210 K211 F268 P306 Y311T140-H142 PolarHBondContact O-N 3.45Å; H142-D157 WeakPolarHBondContact CA-O 3.3Å; H142-D157 HydrophobicContact CB-CB 4.35Å; H142-D157 VanDerWaalsContact CB-O 3.25Å; H142-D157 WeakPolarHBondContact CB-O 3.39Å; H142-D157 PolarHBondContact N-O 2.82Å; H142-F210 HydrophobicContact CB-CB 4.33Å; H142-F210 HydrophobicContact CB-CD2 3.85Å; H142-F210 HydrophobicContact CB-CE2 4.3Å; H142-F210 HydrophobicContact CB-CG 4.14Å; H142-F210 AromaticContact CD2-CD1 3.39Å; H142-F210 WeakPolarHBondContact CD2-CD1 3.44Å; H142-F210 AromaticContact CD2-CD2 3.89Å; H142-F210 AromaticContact CD2-CE1 3.86Å; H142-F210 AromaticContact CD2-CG 3.39Å; H142-F210 WeakPolarHBondContact CD2-CG 3.38Å; H142-K211 WeakPolarHBondContact O-CD 3.22Å; H142-K211 WeakPolarHBondContact O-CE 3.37Å; H142-K211 PolarHBondContact O-NZ 3.41Å; H142-F268 AromaticContact NE2-CD1 3.79Å; H142-F268 AromaticContact NE2-CD2 3.53Å; H142-F268 AromaticContact NE2-CE1 3.87Å; H142-F268 AromaticContact NE2-CE2 3.6Å; H142-F268 AromaticContact NE2-CG 3.64Å; H142-F268 AromaticContact NE2-CZ 3.79Å; H142-P306 WeakPolarHBondContact CE1-CB 3.44Å; H142-Y311 PolarHBondContact CE1-OH 2.84Å; H142-Y311 PolarHBondContact NE2-OH 2.81Å
143S95.4Very high92Very high6 Ų652.2 Ų52.24%0.04227%0.267CS..EExtended strand (participates in β ladder)trans-172.1-174.9-179.364.80000110.2D157S143-D157 PolarHBondContact N-O 2.92Å; S143-D157 WeakPolarHBondContact O-CB 3.37Å; S143-D157 PolarHBondContact O-N 2.9Å
144W95Very high92.3Very high23 Ų2350.2 Ų50.29%0.08726%0.259CS..  trans-134.3148.416961.2102.1000111.6S122 L123 V155 Y156 D239 M245S122-W144 VanDerWaalsContact CB-CD1 3.48Å; L123-W144 HydrophobicContact CB-CH2 4.37Å; L123-W144 HydrophobicContact CB-CZ2 4.46Å; L123-W144 HydrophobicContact CD1-CH2 4.15Å; W144-V155 WeakPolarHBondContact CB-O 3.07Å; W144-Y156 HydrophobicContact CD2-CD2 4.31Å; W144-Y156 HydrophobicContact CD2-CE2 4.21Å; W144-Y156 AromaticContact CE3-CD2 3.59Å; W144-Y156 HydrophobicContact CE3-CD2 3.59Å; W144-Y156 AromaticContact CE3-CE2 3.11Å; W144-Y156 HydrophobicContact CE3-CE2 3.11Å; W144-Y156 AromaticContact CE3-CZ 3.74Å; W144-Y156 HydrophobicContact CH2-CE2 4.41Å; W144-Y156 HydrophobicContact CZ3-CD2 4.12Å; W144-Y156 AromaticContact CZ3-CE2 3.26Å; W144-Y156 HydrophobicContact CZ3-CE2 3.26Å; W144-Y156 AromaticContact CZ3-CZ 3.86Å; W144-D239 HydrophobicContact CH2-CB 4.22Å; W144-D239 HydrophobicContact CZ3-CB 4.39Å; W144-D239 WeakPolarHBondContact CZ3-OD2 3.33Å; W144-M245 HydrophobicContact CZ2-CE 4.19Å
145P92.6Very high92.8Very high9 Ų942.6 Ų42.66%0.05823%0.226CC..  28.1121.5127.740.3-33.1000122.3V147 V155 L303 E304P145-V147 PolarHBondContact O-N 3.09Å; P145-V155 HydrophobicContact CG-CG2 3.64Å; P145-L303 HydrophobicContact CB-CB 3.86Å; P145-L303 HydrophobicContact CB-CD1 4.14Å; P145-L303 HydrophobicContact CB-CG 4.41Å; P145-L303 HydrophobicContact CG-CB 3.52Å; P145-L303 HydrophobicContact CG-CD1 3.97Å; P145-L303 HydrophobicContact CG-CG 4.33Å; P145-E304 WeakPolarHBondContact CG-O 3.28Å
146A89.6Confident93.5Very high55 Ų5534.7 Ų34.746%0.45519%0.189SC..  trans-60.9134.313400000108.3
147V88.5Confident94.1Very high21 Ų2129.2 Ų29.213%0.12716%0.159CC..  trans-77.9127-175.8172.60000110.4W118 R119 P145 V149W118-V147 HydrophobicContact CB-CG1 3.56Å; W118-V147 HydrophobicContact CE3-CG1 4.25Å; W118-V147 HydrophobicContact CG-CG1 4.47Å; R119-V147 HydrophobicContact CB-CG2 3.96Å; P145-V147 PolarHBondContact O-N 3.09Å; V147-V149 HydrophobicContact CG1-CG2 4.43Å
148D91.5Very high94.5Very high49 Ų4928.3 Ų28.326%0.26215%0.154SC..  trans-118.5115.8161.1-172-12.4000109R150 S151 L303D148-R150 PolarHBondContact O-N 3.06Å; D148-R150 VanDerWaalsContact OD1-CB 3.31Å; D148-R150 WeakPolarHBondContact OD1-CB 3.35Å; D148-R150 IonicContact OD1-CZ 3.67Å; D148-R150 PolarHBondContact OD1-N 3.2Å; D148-R150 IonicContact OD1-NE 3.98Å; D148-R150 PolarHBondContact OD1-NE 2.82Å; D148-R150 VanDerWaalsContact OD1-NE 3.16Å; D148-R150 IonicContact OD1-NH2 3.64Å; D148-R150 PolarHBondContact OD1-NH2 3.06Å; D148-R150 IonicContact OD2-CZ 2.75Å; D148-R150 IonicContact OD2-NE 3.46Å; D148-R150 PolarHBondContact OD2-NE 3.15Å; D148-R150 IonicContact OD2-NH2 2.59Å; D148-R150 PolarHBondContact OD2-NH2 3.33Å; D148-S151 VanDerWaalsContact O-CB 3.23Å; D148-S151 WeakPolarHBondContact O-CB 3.38Å; D148-S151 PolarHBondContact O-N 3.17Å; D148-S151 PolarHBondContact O-OG 2.87Å; D148-L303 HydrophobicContact CB-CD2 3.93Å
149V90.1Very high94.9Very high49 Ų4924.1 Ų24.130%0.29713%0.132SC..G310 helixtrans-63.6-28180-177.70000111.5N114 K115 W118 V147 S151 G152N114-V149 HydrophobicContact CB-CG2 4.32Å; K115-V149 HydrophobicContact CG-CG2 4.34Å; W118-V149 HydrophobicContact CD2-CG1 4.37Å; W118-V149 HydrophobicContact CD2-CG2 4.23Å; W118-V149 HydrophobicContact CE3-CB 4.35Å; W118-V149 HydrophobicContact CE3-CG1 4.43Å; W118-V149 HydrophobicContact CE3-CG2 4.27Å; W118-V149 HydrophobicContact CH2-CG1 3.96Å; W118-V149 VanDerWaalsContact CH2-O 3.23Å; W118-V149 WeakPolarHBondContact CH2-O 3.22Å; W118-V149 HydrophobicContact CZ2-CG1 3.91Å; W118-V149 VanDerWaalsContact CZ3-CA 3.49Å; W118-V149 HydrophobicContact CZ3-CB 4.34Å; W118-V149 HydrophobicContact CZ3-CG1 4.25Å; W118-V149 WeakPolarHBondContact CZ3-O 3.49Å; V147-V149 HydrophobicContact CG1-CG2 4.43Å; V149-S151 PolarHBondContact O-N 3.34Å; V149-G152 PolarHBondContact O-N 2.93Å
150R92.2Very high95Very high210 Ų21024 Ų2479%0.79213%0.131SC*.G310 helixtrans-68-16.4176.3-61.2172.9-65.2-125.40.2113.1D148 G152D148-R150 PolarHBondContact O-N 3.06Å; D148-R150 VanDerWaalsContact OD1-CB 3.31Å; D148-R150 WeakPolarHBondContact OD1-CB 3.35Å; D148-R150 IonicContact OD1-CZ 3.67Å; D148-R150 PolarHBondContact OD1-N 3.2Å; D148-R150 IonicContact OD1-NE 3.98Å; D148-R150 PolarHBondContact OD1-NE 2.82Å; D148-R150 VanDerWaalsContact OD1-NE 3.16Å; D148-R150 IonicContact OD1-NH2 3.64Å; D148-R150 PolarHBondContact OD1-NH2 3.06Å; D148-R150 IonicContact OD2-CZ 2.75Å; D148-R150 IonicContact OD2-NE 3.46Å; D148-R150 PolarHBondContact OD2-NE 3.15Å; D148-R150 IonicContact OD2-NH2 2.59Å; D148-R150 PolarHBondContact OD2-NH2 3.33Å; R150-G152 PolarHBondContact O-N 2.7Å
151S93.3Very high94.8Very high22 Ų2224.9 Ų24.915%0.15414%0.143CC..G310 helixtrans-66.1-14.4175.571.40000113.3D148 V149 S153D148-S151 VanDerWaalsContact O-CB 3.23Å; D148-S151 WeakPolarHBondContact O-CB 3.38Å; D148-S151 PolarHBondContact O-N 3.17Å; D148-S151 PolarHBondContact O-OG 2.87Å; V149-S151 PolarHBondContact O-N 3.34Å; S151-S153 VanDerWaalsContact C-N 3.27Å; S151-S153 PolarHBondContact O-N 3.17Å; S151-S153 PolarHBondContact OG-O 2.73Å
152G95Very high94.6Very high30 Ų3034.9 Ų34.931%0.30919%0.186SC..SBendtrans81.9-5.7178.300000115V149 R150 S297V149-G152 PolarHBondContact O-N 2.93Å; R150-G152 PolarHBondContact O-N 2.7Å; G152-S297 VanDerWaalsContact O-CB 3.26Å; G152-S297 WeakPolarHBondContact O-CB 3.45Å
153S97.7Very high94.4Very high1 Ų138.5 Ų38.51%0.00720%0.203CC..SBendtrans-154.8145.7179.164.50000112.5W118 S151 Q275 G276 S301W118-S153 VanDerWaalsContact CZ3-C 3.41Å; S151-S153 VanDerWaalsContact C-N 3.27Å; S151-S153 PolarHBondContact O-N 3.17Å; S151-S153 PolarHBondContact OG-O 2.73Å; S153-Q275 PolarHBondContact OG-OE1 3.48Å; S153-G276 CarbonylContact C-O 3.39Å; S153-G276 VanDerWaalsContact CA-O 3.25Å; S153-G276 WeakPolarHBondContact CA-O 3.4Å; S153-G276 WeakPolarHBondContact CB-O 3.39Å; S153-S301 WeakPolarHBondContact OG-CB 3.46Å
154F97.8Very high94.3Very high2 Ų241.4 Ų41.41%0.00922%0.218CC..EExtended strand (participates in β ladder)trans-82.3154.9157.559.6-98.2000109.4W118 C121 L125 Y255 Q275 G276W118-F154 HydrophobicContact CB-CB 4.35Å; W118-F154 HydrophobicContact CE3-CB 4.39Å; W118-F154 HydrophobicContact CG-CD1 4.48Å; C121-F154 HydrophobicContact CB-CB 4.34Å; C121-F154 HydrophobicContact CB-CD1 3.38Å; C121-F154 HydrophobicContact CB-CD2 3.85Å; C121-F154 HydrophobicContact CB-CE1 3.48Å; C121-F154 VanDerWaalsContact CB-CE1 3.48Å; C121-F154 HydrophobicContact CB-CE2 3.97Å; C121-F154 HydrophobicContact CB-CG 3.57Å; C121-F154 HydrophobicContact CB-CZ 3.8Å; L125-F154 HydrophobicContact CB-CE2 4.36Å; L125-F154 HydrophobicContact CD2-CD2 4.2Å; L125-F154 HydrophobicContact CD2-CE2 4.1Å; F154-Y255 HydrophobicContact CE1-CE2 4.13Å; F154-Y255 HydrophobicContact CE2-CE1 4.3Å; F154-Y255 AromaticContact CE2-CE2 3.93Å; F154-Y255 HydrophobicContact CE2-CE2 3.93Å; F154-Y255 AromaticContact CE2-CZ 3.57Å; F154-Y255 WeakPolarHBondContact CE2-OH 3.48Å; F154-Y255 HydrophobicContact CZ-CD2 4.03Å; F154-Y255 AromaticContact CZ-CE1 3.96Å; F154-Y255 HydrophobicContact CZ-CE1 3.96Å; F154-Y255 AromaticContact CZ-CE2 3.4Å; F154-Y255 HydrophobicContact CZ-CE2 3.4Å; F154-Y255 AromaticContact CZ-CZ 3.36Å; F154-Q275 WeakPolarHBondContact O-CA 3.42Å; F154-G276 VanDerWaalsContact CD1-O 3.32Å; F154-G276 WeakPolarHBondContact CD1-O 3.39Å; F154-G276 WeakPolarHBondContact CE1-O 3.37Å; F154-G276 PolarHBondContact N-O 2.83Å; F154-G276 PolarHBondContact O-N 3.08Å
155V98.2Very high94.3Very high1 Ų142.3 Ų42.31%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-138.1161.5-172.3-47.70000112.1S122 W144 P145 R273 V274 Q275 L303S122-V155 WeakPolarHBondContact CB-O 3.46Å; S122-V155 PolarHBondContact OG-N 3.09Å; S122-V155 PolarHBondContact OG-O 2.79Å; W144-V155 WeakPolarHBondContact CB-O 3.07Å; P145-V155 HydrophobicContact CG-CG2 3.64Å; V155-R273 HydrophobicContact CB-CG 3.96Å; V155-R273 HydrophobicContact CG1-CG 4.31Å; V155-V274 CarbonylContact C-O 3.56Å; V155-V274 VanDerWaalsContact CA-O 3.27Å; V155-V274 WeakPolarHBondContact CA-O 3.37Å; V155-Q275 HydrophobicContact CB-CG 4.3Å; V155-Q275 HydrophobicContact CG1-CB 4.26Å; V155-Q275 HydrophobicContact CG1-CG 3.75Å; V155-L303 HydrophobicContact CG1-CD1 4.2Å; V155-L303 HydrophobicContact CG2-CD1 3.99Å
156Y98.4Very high94.3Very high0 Ų046.4 Ų46.40%025%0.248CC..EExtended strand (participates in β ladder)trans-144.9126168.6-156.8-69.8000109.7S122 L129 L141 W144 K211 D239 V274S122-Y156 WeakPolarHBondContact O-CD2 3.46Å; L129-Y156 HydrophobicContact CD1-CD1 4.47Å; L141-Y156 HydrophobicContact CB-CE1 3.73Å; L141-Y156 HydrophobicContact CD1-CE1 4.31Å; L141-Y156 HydrophobicContact CD2-CD1 4.17Å; L141-Y156 HydrophobicContact CD2-CE1 3.71Å; L141-Y156 HydrophobicContact CG-CE1 4.12Å; W144-Y156 HydrophobicContact CD2-CD2 4.31Å; W144-Y156 HydrophobicContact CD2-CE2 4.21Å; W144-Y156 AromaticContact CE3-CD2 3.59Å; W144-Y156 HydrophobicContact CE3-CD2 3.59Å; W144-Y156 AromaticContact CE3-CE2 3.11Å; W144-Y156 HydrophobicContact CE3-CE2 3.11Å; W144-Y156 AromaticContact CE3-CZ 3.74Å; W144-Y156 HydrophobicContact CH2-CE2 4.41Å; W144-Y156 HydrophobicContact CZ3-CD2 4.12Å; W144-Y156 AromaticContact CZ3-CE2 3.26Å; W144-Y156 HydrophobicContact CZ3-CE2 3.26Å; W144-Y156 AromaticContact CZ3-CZ 3.86Å; Y156-K211 PolarHBondContact OH-NZ 3.21Å; Y156-D239 PolarHBondContact OH-OD2 2.87Å; Y156-V274 PolarHBondContact N-O 3.41Å; Y156-V274 PolarHBondContact O-N 3.37Å
157D98Very high94.6Very high0 Ų049 Ų490%025%0.251CS..EExtended strand (participates in β ladder)trans-89.3132.1175.8-64.5-52.4000110.2H142 S143 Y263 C272 R273 P306H142-D157 WeakPolarHBondContact CA-O 3.3Å; H142-D157 HydrophobicContact CB-CB 4.35Å; H142-D157 VanDerWaalsContact CB-O 3.25Å; H142-D157 WeakPolarHBondContact CB-O 3.39Å; H142-D157 PolarHBondContact N-O 2.82Å; S143-D157 PolarHBondContact N-O 2.92Å; S143-D157 WeakPolarHBondContact O-CB 3.37Å; S143-D157 PolarHBondContact O-N 2.9Å; D157-Y263 PolarHBondContact OD1-OH 3.25Å; D157-Y263 PolarHBondContact OD2-OH 3.44Å; D157-C272 CarbonylContact C-O 3.54Å; D157-C272 WeakPolarHBondContact CA-O 3.26Å; D157-R273 VanDerWaalsContact OD1-CB 3.27Å; D157-R273 WeakPolarHBondContact OD1-CB 3.45Å; D157-R273 IonicContact OD1-CZ 2.79Å; D157-R273 IonicContact OD1-NE 3.56Å; D157-R273 PolarHBondContact OD1-NE 2.98Å; D157-R273 IonicContact OD1-NH2 2.71Å; D157-R273 PolarHBondContact OD1-NH2 2.94Å; D157-R273 IonicContact OD2-CZ 3.23Å; D157-R273 IonicContact OD2-NE 3.47Å; D157-R273 IonicContact OD2-NH2 3.5Å; D157-R273 PolarHBondContact OD2-NH2 2.97Å; D157-P306 HydrophobicContact CB-CG 3.98Å; D157-P306 WeakPolarHBondContact OD2-CD 3.32Å; D157-P306 WeakPolarHBondContact OD2-CG 3.4Å
158V97.8Very high94.9Very high0 Ų048.6 Ų48.60%025%0.249CC..EExtended strand (participates in β ladder)trans-145.5148.5-171.464.40000110.9L129 V139 T140 L141 F160 C272 V274L129-V158 HydrophobicContact CD1-CB 4.36Å; L129-V158 HydrophobicContact CD1-CG1 4.18Å; V139-V158 HydrophobicContact CG1-CG2 3.43Å; V139-V158 VanDerWaalsContact CG1-CG2 3.43Å; T140-V158 WeakPolarHBondContact O-CG2 3.25Å; L141-V158 HydrophobicContact CD2-CG2 4Å; V158-F160 HydrophobicContact CG1-CD2 3.99Å; V158-F160 HydrophobicContact CG1-CE2 3.34Å; V158-F160 HydrophobicContact CG1-CZ 3.7Å; V158-C272 HydrophobicContact CG1-CB 4.04Å; V158-C272 WeakPolarHBondContact CG1-O 3.37Å; V158-C272 PolarHBondContact N-O 3.04Å; V158-C272 PolarHBondContact O-N 3.31Å; V158-V274 HydrophobicContact CG1-CG2 3.79Å
159D97.1Very high95.2Very high12 Ų1248.9 Ų48.96%0.06426%0.255CS..EExtended strand (participates in β ladder)trans-102.7127.2168.6175.825.6000110.3T140 G161 R209 F210 L271T140-D159 PolarHBondContact N-O 3.26Å; T140-D159 PolarHBondContact O-N 3.19Å; D159-G161 WeakPolarHBondContact OD1-CA 2.93Å; D159-G161 PolarHBondContact OD1-N 3.24Å; D159-R209 IonicContact OD2-CZ 3.72Å; D159-R209 IonicContact OD2-NH1 3.24Å; D159-R209 PolarHBondContact OD2-NH1 2.91Å; D159-R209 IonicContact OD2-NH2 3.97Å; D159-R209 PolarHBondContact OD2-NH2 2.94Å; D159-F210 HydrophobicContact CB-CE2 3.67Å; D159-F210 HydrophobicContact CB-CZ 3.99Å; D159-L271 HydrophobicContact CB-CD2 3.98Å
160F95.8Very high95.5Very high2 Ų251.8 Ų51.81%0.00927%0.265CS..  trans-965.9175.7-73.4-73.3000113.2L129 F133 V139 V158 K162 H163 F260 Y262 C272 V274L129-F160 HydrophobicContact CD2-CZ 4.25Å; F133-F160 HydrophobicContact CE1-CE1 4.06Å; F133-F160 AromaticContact CE2-CE1 3.96Å; F133-F160 HydrophobicContact CE2-CE1 3.96Å; F133-F160 HydrophobicContact CE2-CZ 4.47Å; F133-F160 AromaticContact CZ-CE1 3.63Å; F133-F160 HydrophobicContact CZ-CE1 3.63Å; F133-F160 HydrophobicContact CZ-CZ 4.11Å; V139-F160 HydrophobicContact CG1-CE1 4.36Å; V139-F160 HydrophobicContact CG2-CD1 4.16Å; V139-F160 HydrophobicContact CG2-CE1 4Å; V158-F160 HydrophobicContact CG1-CD2 3.99Å; V158-F160 HydrophobicContact CG1-CE2 3.34Å; V158-F160 HydrophobicContact CG1-CZ 3.7Å; F160-K162 PolarHBondContact O-N 2.88Å; F160-H163 HydrophobicContact CB-CB 4.34Å; F160-H163 PolarHBondContact O-N 3.47Å; F160-F260 HydrophobicContact CE2-CD1 4.04Å; F160-F260 AromaticContact CE2-CE1 3.98Å; F160-F260 HydrophobicContact CE2-CE1 3.98Å; F160-F260 HydrophobicContact CZ-CD1 4.2Å; F160-F260 AromaticContact CZ-CE1 3.67Å; F160-F260 HydrophobicContact CZ-CE1 3.67Å; F160-Y262 AromaticContact CD2-CE1 3.83Å; F160-Y262 HydrophobicContact CD2-CE1 3.83Å; F160-Y262 AromaticContact CD2-CZ 3.98Å; F160-Y262 WeakPolarHBondContact CD2-OH 3.37Å; F160-C272 HydrophobicContact CD2-CB 3.65Å; F160-C272 HydrophobicContact CE2-CB 3.62Å; F160-V274 HydrophobicContact CE2-CG2 4.35Å; F160-V274 HydrophobicContact CZ-CG2 4.45Å
161G93.2Very high95.7Very high30 Ų3049.2 Ų49.231%0.30926%0.26SS..G310 helixtrans54.8-120.317800000111.9D159 H163 N164D159-G161 WeakPolarHBondContact OD1-CA 2.93Å; D159-G161 PolarHBondContact OD1-N 3.24Å; G161-H163 PolarHBondContact O-N 3Å; G161-N164 VanDerWaalsContact O-CB 3.3Å; G161-N164 WeakPolarHBondContact O-CB 3.22Å; G161-N164 PolarHBondContact O-N 3.21Å; G161-N164 VanDerWaalsContact O-N 3.12Å
162K92.6Very high95.8Very high211 Ų21150.9 Ų50.992%0.91727%0.267SS*.G310 helixtrans-65-18.5-179.9-62.6-179.5-178.8178.60113.6F160 N164F160-K162 PolarHBondContact O-N 2.88Å; K162-N164 VanDerWaalsContact C-N 3.34Å
163H93.1Very high95.9Very high76 Ų7651.2 Ų51.235%0.35226%0.26SS..G310 helixtrans-95.314.3177.7-57.7-81.5000112.6F160 G161 G165 W166F160-H163 HydrophobicContact CB-CB 4.34Å; F160-H163 PolarHBondContact O-N 3.47Å; G161-H163 PolarHBondContact O-N 3Å; H163-G165 PolarHBondContact O-N 2.84Å; H163-W166 VanDerWaalsContact O-CB 3.28Å; H163-W166 WeakPolarHBondContact O-CB 3.47Å; H163-W166 PolarHBondContact O-N 3.34Å; H163-W166 VanDerWaalsContact O-N 3.07Å
164N93.2Very high95.8Very high67 Ų6759 Ų5936%0.35829%0.289SS..THydrogen-bonded Turntrans-54.4129.9173.2-177.374.8000111.2G161 K162 Y262G161-N164 VanDerWaalsContact O-CB 3.3Å; G161-N164 WeakPolarHBondContact O-CB 3.22Å; G161-N164 PolarHBondContact O-N 3.21Å; G161-N164 VanDerWaalsContact O-N 3.12Å; K162-N164 VanDerWaalsContact C-N 3.34Å; N164-Y262 VanDerWaalsContact OD1-CD1 3.29Å; N164-Y262 WeakPolarHBondContact OD1-CD1 3.11Å
165G93.9Very high95.7Very high42 Ų4263.7 Ų63.743%0.43331%0.312SS..THydrogen-bonded Turntrans90.4-5.7-17600000115.3H163 Q167 Y262H163-G165 PolarHBondContact O-N 2.84Å; G165-Q167 PolarHBondContact O-N 3.32Å; G165-Y262 VanDerWaalsContact N-CD1 3.34Å
166W94.3Very high95.7Very high94 Ų9464 Ų6436%0.35631%0.314SS..  trans-58.9137.1169.8171.879.7000110.8F133 H163 P168 D172 F260 Y262F133-W166 HydrophobicContact CE1-CE3 4.23Å; F133-W166 AromaticContact CE1-CH2 3.87Å; F133-W166 HydrophobicContact CE1-CH2 3.87Å; F133-W166 AromaticContact CE1-CZ3 3.62Å; F133-W166 HydrophobicContact CE1-CZ3 3.62Å; F133-W166 HydrophobicContact CZ-CH2 4.25Å; F133-W166 AromaticContact CZ-CZ3 3.83Å; F133-W166 HydrophobicContact CZ-CZ3 3.83Å; H163-W166 VanDerWaalsContact O-CB 3.28Å; H163-W166 WeakPolarHBondContact O-CB 3.47Å; H163-W166 PolarHBondContact O-N 3.34Å; H163-W166 VanDerWaalsContact O-N 3.07Å; W166-P168 HydrophobicContact CE3-CG 4.38Å; W166-P168 HydrophobicContact CH2-CB 3.64Å; W166-P168 HydrophobicContact CH2-CG 3.8Å; W166-P168 HydrophobicContact CZ2-CB 4.23Å; W166-P168 HydrophobicContact CZ3-CB 4.03Å; W166-P168 HydrophobicContact CZ3-CG 3.63Å; W166-D172 HydrophobicContact CH2-CB 4.43Å; W166-F260 HydrophobicContact CZ3-CE1 4.12Å; W166-Y262 WeakPolarHBondContact O-CE2 3.34Å; W166-Y262 PolarHBondContact O-OH 3.43Å
167Q95.2Very high95.7Very high109 Ų10964.3 Ų64.351%0.50932%0.316SS..  trans-114.5131.3177.1-71.8-68.1-5.400110.2G165 F260G165-Q167 PolarHBondContact O-N 3.32Å; Q167-F260 PolarHBondContact NE2-O 3.26Å
168P95.5Very high95.5Very high13 Ų1371.1 Ų71.18%0.08434%0.343CS..  trans-64140.2174.3-8.418.1000111.3W166 D172 F173 F260W166-P168 HydrophobicContact CE3-CG 4.38Å; W166-P168 HydrophobicContact CH2-CB 3.64Å; W166-P168 HydrophobicContact CH2-CG 3.8Å; W166-P168 HydrophobicContact CZ2-CB 4.23Å; W166-P168 HydrophobicContact CZ3-CB 4.03Å; W166-P168 HydrophobicContact CZ3-CG 3.63Å; P168-D172 HydrophobicContact CB-CB 3.68Å; P168-F173 HydrophobicContact CB-CD2 4.08Å; P168-F173 HydrophobicContact CB-CE2 3.87Å; P168-F173 HydrophobicContact CB-CG 4.49Å; P168-F173 HydrophobicContact CB-CZ 4.12Å; P168-F173 HydrophobicContact CG-CE1 4.27Å; P168-F173 HydrophobicContact CG-CE2 4.12Å; P168-F173 HydrophobicContact CG-CZ 3.88Å; P168-F260 HydrophobicContact CG-CB 4.35Å; P168-F260 HydrophobicContact CG-CD1 3.94Å; P168-F260 HydrophobicContact CG-CD2 3.36Å; P168-F260 HydrophobicContact CG-CE1 4Å; P168-F260 HydrophobicContact CG-CE2 3.44Å; P168-F260 VanDerWaalsContact CG-CE2 3.44Å; P168-F260 HydrophobicContact CG-CG 3.64Å; P168-F260 HydrophobicContact CG-CZ 3.78Å
169S96.9Very high95.3Very high55 Ų5574 Ų7439%0.38536%0.36SS..  trans-72.416716670.40000111.1K171 D172 F173S169-K171 PolarHBondContact O-N 3.03Å; S169-K171 PolarHBondContact OG-N 3.48Å; S169-D172 VanDerWaalsContact CB-OD2 3.31Å; S169-D172 WeakPolarHBondContact CB-OD2 3.34Å; S169-D172 PolarHBondContact N-OD2 3.08Å; S169-D172 WeakPolarHBondContact O-CB 3.49Å; S169-D172 PolarHBondContact O-N 2.94Å; S169-D172 PolarHBondContact OG-N 3.34Å; S169-D172 PolarHBondContact OG-OD2 2.82Å; S169-F173 WeakPolarHBondContact O-CD2 3.47Å; S169-F173 PolarHBondContact O-N 3.3Å
170E96Very high95.2Very high111 Ų11174.3 Ų74.352%0.51936%0.363SS..Hα-helixtrans-55.4-34171.4177.158.1-156.500112.2R174E170-R174 WeakPolarHBondContact O-CG 3.5Å; E170-R174 PolarHBondContact O-N 2.98Å; E170-R174 VanDerWaalsContact O-N 3.13Å; E170-R174 IonicContact OE1-CZ 3.53Å; E170-R174 IonicContact OE1-NE 2.73Å; E170-R174 PolarHBondContact OE1-NE 3.02Å; E170-R174 IonicContact OE1-NH2 2.75Å; E170-R174 PolarHBondContact OE1-NH2 3.16Å
171K96.4Very high95.2Very high156 Ų15674.3 Ų74.368%0.67836%0.363SS*.Hα-helixtrans-66.8-41.6174.8-175.8-178.4176.6-176.50111.2S169 R174 M175S169-K171 PolarHBondContact O-N 3.03Å; S169-K171 PolarHBondContact OG-N 3.48Å; K171-R174 PolarHBondContact O-N 2.89Å; K171-M175 WeakPolarHBondContact O-CG 3.38Å; K171-M175 PolarHBondContact O-N 2.81Å
172D96.1Very high95.4Very high56 Ų5675.8 Ų75.830%0.29936%0.361SS..Hα-helixtrans-64.7-44.7178.7-58.3-46.1000110.6W166 P168 S169 R174 M175 L176W166-D172 HydrophobicContact CH2-CB 4.43Å; P168-D172 HydrophobicContact CB-CB 3.68Å; S169-D172 VanDerWaalsContact CB-OD2 3.31Å; S169-D172 WeakPolarHBondContact CB-OD2 3.34Å; S169-D172 PolarHBondContact N-OD2 3.08Å; S169-D172 WeakPolarHBondContact O-CB 3.49Å; S169-D172 PolarHBondContact O-N 2.94Å; S169-D172 PolarHBondContact OG-N 3.34Å; S169-D172 PolarHBondContact OG-OD2 2.82Å; D172-R174 VanDerWaalsContact C-N 3.33Å; D172-R174 PolarHBondContact O-N 3.37Å; D172-M175 PolarHBondContact O-N 2.95Å; D172-M175 VanDerWaalsContact O-N 3.15Å; D172-L176 WeakPolarHBondContact O-CB 3.35Å; D172-L176 VanDerWaalsContact O-CG 3.27Å; D172-L176 WeakPolarHBondContact O-CG 3.3Å; D172-L176 PolarHBondContact O-N 3.33Å
173F97.5Very high95.6Very high37 Ų3769.2 Ų69.216%0.16233%0.334CS..Hα-helixtrans-55.6-46.2173.8-80.9-65.2000112.2P168 S169 M175 L176 S177 V257 F260P168-F173 HydrophobicContact CB-CD2 4.08Å; P168-F173 HydrophobicContact CB-CE2 3.87Å; P168-F173 HydrophobicContact CB-CG 4.49Å; P168-F173 HydrophobicContact CB-CZ 4.12Å; P168-F173 HydrophobicContact CG-CE1 4.27Å; P168-F173 HydrophobicContact CG-CE2 4.12Å; P168-F173 HydrophobicContact CG-CZ 3.88Å; S169-F173 WeakPolarHBondContact O-CD2 3.47Å; S169-F173 PolarHBondContact O-N 3.3Å; F173-M175 VanDerWaalsContact C-N 3.34Å; F173-M175 PolarHBondContact O-N 2.89Å; F173-L176 PolarHBondContact O-N 2.87Å; F173-S177 WeakPolarHBondContact O-CB 3.39Å; F173-S177 PolarHBondContact O-N 2.88Å; F173-S177 PolarHBondContact O-OG 2.97Å; F173-V257 HydrophobicContact CD1-CG1 4.34Å; F173-V257 VanDerWaalsContact CD1-O 3.23Å; F173-V257 WeakPolarHBondContact CD1-O 3.42Å; F173-V257 HydrophobicContact CE1-CG1 4.34Å; F173-F260 AromaticContact CE1-CD2 3.78Å; F173-F260 HydrophobicContact CE1-CD2 3.78Å; F173-F260 AromaticContact CE1-CE2 3.97Å; F173-F260 HydrophobicContact CE1-CE2 3.97Å; F173-F260 HydrophobicContact CZ-CD2 4.01Å
174R95.8Very high95.8Very high165 Ų16565.8 Ų65.862%0.62332%0.318SS*.Hα-helixtrans-61-42.2177.1-71.1174.4-172-1551.1112.5E170 K171 D172 Y178E170-R174 WeakPolarHBondContact O-CG 3.5Å; E170-R174 PolarHBondContact O-N 2.98Å; E170-R174 VanDerWaalsContact O-N 3.13Å; E170-R174 IonicContact OE1-CZ 3.53Å; E170-R174 IonicContact OE1-NE 2.73Å; E170-R174 PolarHBondContact OE1-NE 3.02Å; E170-R174 IonicContact OE1-NH2 2.75Å; E170-R174 PolarHBondContact OE1-NH2 3.16Å; K171-R174 PolarHBondContact O-N 2.89Å; D172-R174 VanDerWaalsContact C-N 3.33Å; D172-R174 PolarHBondContact O-N 3.37Å; R174-Y178 WeakPolarHBondContact O-CB 3.15Å; R174-Y178 PolarHBondContact O-N 2.75Å
175M95.9Very high96Very high100 Ų10065.2 Ų65.249%0.49331%0.311SS..Hα-helixtrans-66.4-47.8179.7-70.6-58-61.100111.9K171 D172 F173 S177 V179 P180K171-M175 WeakPolarHBondContact O-CG 3.38Å; K171-M175 PolarHBondContact O-N 2.81Å; D172-M175 PolarHBondContact O-N 2.95Å; D172-M175 VanDerWaalsContact O-N 3.15Å; F173-M175 VanDerWaalsContact C-N 3.34Å; F173-M175 PolarHBondContact O-N 2.89Å; M175-S177 VanDerWaalsContact C-N 3.27Å; M175-S177 PolarHBondContact O-N 2.84Å; M175-V179 HydrophobicContact CE-CB 4.48Å; M175-V179 HydrophobicContact CE-CG2 3.87Å; M175-V179 PolarHBondContact O-N 3.18Å; M175-V179 HydrophobicContact SD-CG2 4.25Å; M175-P180 WeakPolarHBondContact O-CD 3.5Å
176L97.1Very high96.2Very high9 Ų969.3 Ų69.35%0.04732%0.316CS..Hα-helixtrans-62.6-34.9178.3-67.3170.1000112.3I128 D172 F173 V257 F260I128-L176 HydrophobicContact CG2-CB 4.31Å; I128-L176 HydrophobicContact CG2-CD2 3.72Å; D172-L176 WeakPolarHBondContact O-CB 3.35Å; D172-L176 VanDerWaalsContact O-CG 3.27Å; D172-L176 WeakPolarHBondContact O-CG 3.3Å; D172-L176 PolarHBondContact O-N 3.33Å; F173-L176 PolarHBondContact O-N 2.87Å; L176-V257 HydrophobicContact CB-CB 4.31Å; L176-V257 HydrophobicContact CB-CG2 4.05Å; L176-F260 HydrophobicContact CD1-CE2 4.09Å; L176-F260 HydrophobicContact CD1-CZ 3.87Å
177S97.7Very high96.4Very high6 Ų670.3 Ų70.34%0.04232%0.324CS..Hα-helixtrans-82.6-40.5-174.1-62.20000113.8F173 M175 P181 Y255 N256 V257F173-S177 WeakPolarHBondContact O-CB 3.39Å; F173-S177 PolarHBondContact O-N 2.88Å; F173-S177 PolarHBondContact O-OG 2.97Å; M175-S177 VanDerWaalsContact C-N 3.27Å; M175-S177 PolarHBondContact O-N 2.84Å; S177-P181 WeakPolarHBondContact O-CG 3.46Å; S177-Y255 VanDerWaalsContact O-O 3.05Å; S177-N256 WeakPolarHBondContact CB-OD1 3.45Å; S177-N256 PolarHBondContact OG-OD1 3.21Å; S177-V257 PolarHBondContact OG-N 2.71Å; S177-V257 PolarHBondContact OG-O 3.47Å
178Y93.9Very high96.5Very high142 Ų14269.4 Ų69.456%0.55732%0.322SS*.Hα-helixtrans-97-48.8-169.5-172.9-104.6000113.4R174 K182R174-Y178 WeakPolarHBondContact O-CB 3.15Å; R174-Y178 PolarHBondContact O-N 2.75Å; Y178-K182 HydrophobicContact CD1-CD 4.4Å; Y178-K182 HydrophobicContact CE1-CD 3.65Å; Y178-K182 HydrophobicContact CE2-CD 4.32Å; Y178-K182 WeakPolarHBondContact O-CB 3.27Å; Y178-K182 PolarHBondContact O-N 3.21Å; Y178-K182 PolarHBondContact OH-NZ 2.71Å
179V94.3Very high96.6Very high60 Ų6071.6 Ų71.636%0.36433%0.33SS..Hα-helixtrans-72.2-57.4-165.4177.70000111.4M175 K182 E183M175-V179 HydrophobicContact CE-CB 4.48Å; M175-V179 HydrophobicContact CE-CG2 3.87Å; M175-V179 PolarHBondContact O-N 3.18Å; M175-V179 HydrophobicContact SD-CG2 4.25Å; V179-K182 PolarHBondContact O-N 3.36Å; V179-E183 HydrophobicContact CG1-CG 4.39Å; V179-E183 WeakPolarHBondContact O-CG 3.4Å; V179-E183 PolarHBondContact O-N 3.46Å
180P95.1Very high96.7Very high20 Ų2070.9 Ų70.913%0.1333%0.325CS..Hα-helixtrans-64.1-45.5-175.3-1626.7000114.2I128 M175 K182 E183 L184I128-P180 HydrophobicContact CD1-CB 4.48Å; I128-P180 HydrophobicContact CG1-CB 3.82Å; I128-P180 HydrophobicContact CG1-CG 4.22Å; I128-P180 HydrophobicContact CG2-CG 4.37Å; M175-P180 WeakPolarHBondContact O-CD 3.5Å; P180-K182 VanDerWaalsContact C-N 3.3Å; P180-K182 PolarHBondContact O-N 3.32Å; P180-E183 PolarHBondContact O-N 3.19Å; P180-L184 WeakPolarHBondContact O-CB 3.2Å; P180-L184 WeakPolarHBondContact O-CG 3.4Å; P180-L184 PolarHBondContact O-N 3.44Å
181P96.1Very high96.8Very high2 Ų265.8 Ų65.81%0.01330%0.301CS..Hα-helixtrans-61.7-37178-26.136.6000113.1I128 S177 R185 Y255I128-P181 HydrophobicContact CD1-CG 3.85Å; S177-P181 WeakPolarHBondContact O-CG 3.46Å; P181-R185 WeakPolarHBondContact O-CB 3.49Å; P181-R185 PolarHBondContact O-N 2.73Å; P181-Y255 HydrophobicContact CB-CD1 4.31Å; P181-Y255 HydrophobicContact CB-CG 4Å; P181-Y255 HydrophobicContact CG-CD1 3.48Å; P181-Y255 VanDerWaalsContact CG-CD1 3.48Å; P181-Y255 HydrophobicContact CG-CD2 4.41Å; P181-Y255 HydrophobicContact CG-CE1 4.06Å; P181-Y255 HydrophobicContact CG-CG 3.68Å
182K96.6Very high96.8Very high61 Ų6159.7 Ų59.727%0.26528%0.275SS..Hα-helixtrans-65.9-43176.5179.2176.2-179.4-175.60111.7Y178 V179 P180 K186Y178-K182 HydrophobicContact CD1-CD 4.4Å; Y178-K182 HydrophobicContact CE1-CD 3.65Å; Y178-K182 HydrophobicContact CE2-CD 4.32Å; Y178-K182 WeakPolarHBondContact O-CB 3.27Å; Y178-K182 PolarHBondContact O-N 3.21Å; Y178-K182 PolarHBondContact OH-NZ 2.71Å; V179-K182 PolarHBondContact O-N 3.36Å; P180-K182 VanDerWaalsContact C-N 3.3Å; P180-K182 PolarHBondContact O-N 3.32Å; K182-K186 WeakPolarHBondContact O-CG 3.21Å; K182-K186 PolarHBondContact O-N 3.02Å; K182-K186 VanDerWaalsContact O-N 3.12Å
183E97.2Very high96.9Very high73 Ų7359.2 Ų59.234%0.34127%0.269SS..Hα-helixtrans-69.9-38.7178.1-66.2-50.812100111.8V179 P180 K186 K187V179-E183 HydrophobicContact CG1-CG 4.39Å; V179-E183 WeakPolarHBondContact O-CG 3.4Å; V179-E183 PolarHBondContact O-N 3.46Å; P180-E183 PolarHBondContact O-N 3.19Å; E183-K186 PolarHBondContact O-N 2.84Å; E183-K186 IonicContact OE1-NZ 3.81Å; E183-K186 PolarHBondContact OE1-NZ 3.03Å; E183-K186 IonicContact OE2-NZ 3.69Å; E183-K187 WeakPolarHBondContact O-CG 3.37Å; E183-K187 PolarHBondContact O-N 3.42Å
184L98Very high96.9Very high3 Ų358 Ų582%0.01626%0.264CS..Hα-helixtrans-59.7-48.2171.7-77168.3000111.7I124 Y127 P180 K186 K187 D188 F189 V234 T249 L252I124-L184 HydrophobicContact CD1-CD1 4.05Å; I124-L184 HydrophobicContact CG2-CD1 3.71Å; Y127-L184 HydrophobicContact CD1-CD1 3.58Å; Y127-L184 HydrophobicContact CD1-CD2 4.19Å; Y127-L184 HydrophobicContact CD1-CG 4.22Å; Y127-L184 HydrophobicContact CE1-CD1 3.76Å; Y127-L184 HydrophobicContact CE1-CD2 3.74Å; Y127-L184 HydrophobicContact CE1-CG 3.88Å; P180-L184 WeakPolarHBondContact O-CB 3.2Å; P180-L184 WeakPolarHBondContact O-CG 3.4Å; P180-L184 PolarHBondContact O-N 3.44Å; L184-K186 VanDerWaalsContact C-N 3.3Å; L184-K186 PolarHBondContact O-N 2.77Å; L184-K187 PolarHBondContact O-N 3.45Å; L184-K187 VanDerWaalsContact O-N 3.09Å; L184-D188 PolarHBondContact O-N 3.02Å; L184-F189 HydrophobicContact CD2-CD2 3.93Å; L184-F189 HydrophobicContact CD2-CE2 4.26Å; L184-V234 HydrophobicContact CD2-CG2 4.47Å; L184-T249 HydrophobicContact CB-CG2 4.48Å; L184-T249 PolarHBondContact O-OG1 2.95Å; L184-T249 VanDerWaalsContact O-OG1 3.06Å; L184-L252 HydrophobicContact CB-CD1 4.27Å
185R97.5Very high96.9Very high56 Ų5652.2 Ų52.221%0.21125%0.245CC..Hα-helixtrans-55.5-45176.5-179.4-174.741-981.8111.9P181 K187 D188 T249 A250 L252 G253P181-R185 WeakPolarHBondContact O-CB 3.49Å; P181-R185 PolarHBondContact O-N 2.73Å; R185-K187 VanDerWaalsContact C-N 3.3Å; R185-K187 PolarHBondContact O-N 3.2Å; R185-D188 PolarHBondContact O-N 3.4Å; R185-T249 WeakPolarHBondContact CA-O 3.27Å; R185-A250 WeakPolarHBondContact CG-O 3.18Å; R185-L252 VanDerWaalsContact CD-O 3.22Å; R185-L252 WeakPolarHBondContact CD-O 3.27Å; R185-L252 PolarHBondContact NH1-O 3.47Å; R185-G253 PolarHBondContact NH1-O 2.93Å; R185-G253 VanDerWaalsContact NH1-O 3.15Å
186K97.7Very high96.9Very high127 Ų12747.5 Ų47.555%0.55222%0.222SC*.Hα-helixtrans-64.2-34.7178.5-73.9173.7-179.4171.40112.9K182 E183 L184 D188K182-K186 WeakPolarHBondContact O-CG 3.21Å; K182-K186 PolarHBondContact O-N 3.02Å; K182-K186 VanDerWaalsContact O-N 3.12Å; E183-K186 PolarHBondContact O-N 2.84Å; E183-K186 IonicContact OE1-NZ 3.81Å; E183-K186 PolarHBondContact OE1-NZ 3.03Å; E183-K186 IonicContact OE2-NZ 3.69Å; L184-K186 VanDerWaalsContact C-N 3.3Å; L184-K186 PolarHBondContact O-N 2.77Å; K186-D188 VanDerWaalsContact C-N 3.27Å
187K98Very high96.8Very high116 Ų11649.5 Ų49.550%0.50423%0.233SC..Hα-helixtrans-73.6-19.6179.3-72.6179.4-176.6-178.40112.9E183 L184 R185 F189E183-K187 WeakPolarHBondContact O-CG 3.37Å; E183-K187 PolarHBondContact O-N 3.42Å; L184-K187 PolarHBondContact O-N 3.45Å; L184-K187 VanDerWaalsContact O-N 3.09Å; R185-K187 VanDerWaalsContact C-N 3.3Å; R185-K187 PolarHBondContact O-N 3.2Å; K187-F189 HydrophobicContact CB-CD2 3.94Å; K187-F189 HydrophobicContact CB-CE1 4.42Å; K187-F189 HydrophobicContact CB-CE2 3.82Å; K187-F189 HydrophobicContact CB-CG 4.33Å; K187-F189 HydrophobicContact CB-CZ 4.08Å; K187-F189 HydrophobicContact CD-CD2 4.27Å; K187-F189 HydrophobicContact CD-CE2 3.38Å; K187-F189 HydrophobicContact CD-CZ 3.58Å; K187-F189 HydrophobicContact CG-CE2 4.23Å; K187-F189 HydrophobicContact CG-CZ 4.36Å; K187-F189 PolarHBondContact O-N 3.34Å
188D97.7Very high96.6Very high89 Ų8950.8 Ų50.848%0.47624%0.241SC..THydrogen-bonded Turntrans51.442.9176.9-171.417000111.8L184 R185 K186 S248 A250L184-D188 PolarHBondContact O-N 3.02Å; R185-D188 PolarHBondContact O-N 3.4Å; K186-D188 VanDerWaalsContact C-N 3.27Å; D188-S248 WeakPolarHBondContact OD1-CB 3.16Å; D188-S248 PolarHBondContact OD1-OG 3.46Å; D188-A250 HydrophobicContact CB-CB 4.11Å; D188-A250 WeakPolarHBondContact OD1-CB 3.47Å
189F98.2Very high96.6Very high59 Ų5947.9 Ų47.926%0.25924%0.241SC..  trans-63.4133.3176.6-72.4-50000110.5L184 K187 V234 S248 T249L184-F189 HydrophobicContact CD2-CD2 3.93Å; L184-F189 HydrophobicContact CD2-CE2 4.26Å; K187-F189 HydrophobicContact CB-CD2 3.94Å; K187-F189 HydrophobicContact CB-CE1 4.42Å; K187-F189 HydrophobicContact CB-CE2 3.82Å; K187-F189 HydrophobicContact CB-CG 4.33Å; K187-F189 HydrophobicContact CB-CZ 4.08Å; K187-F189 HydrophobicContact CD-CD2 4.27Å; K187-F189 HydrophobicContact CD-CE2 3.38Å; K187-F189 HydrophobicContact CD-CZ 3.58Å; K187-F189 HydrophobicContact CG-CE2 4.23Å; K187-F189 HydrophobicContact CG-CZ 4.36Å; K187-F189 PolarHBondContact O-N 3.34Å; F189-V234 HydrophobicContact CB-CG2 4.26Å; F189-S248 PolarHBondContact O-OG 3.42Å; F189-T249 HydrophobicContact CB-CG2 4.16Å; F189-T249 PolarHBondContact N-OG1 3.2Å; F189-T249 PolarHBondContact O-N 2.8Å; F189-T249 PolarHBondContact O-OG1 3.29Å
190P97.7Very high96.7Very high41 Ų4146.1 Ų46.127%0.26623%0.23SC..BIsolated β-bridgetrans-63.7146.4167.830.5-35.5000109.6E192P190-E192 HydrophobicContact CB-CG 4.08Å; P190-E192 HydrophobicContact CG-CG 4.11Å
191I98.3Very high96.8Very high4 Ų445.1 Ų45.12%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-97.9108.2169.1-51-170.5000106.9T120 L123 Y232 M245 I246 S247 T249T120-I191 HydrophobicContact CG2-CD1 3.31Å; L123-I191 HydrophobicContact CD2-CG2 4.42Å; I191-Y232 HydrophobicContact CG2-CD1 3.98Å; I191-M245 HydrophobicContact CG2-CB 3.87Å; I191-M245 HydrophobicContact CG2-SD 3.91Å; I191-I246 VanDerWaalsContact CB-O 3.31Å; I191-I246 WeakPolarHBondContact CB-O 3.4Å; I191-I246 HydrophobicContact CD1-CD1 4.45Å; I191-I246 HydrophobicContact CD1-CG1 3.71Å; I191-I246 WeakPolarHBondContact CD1-O 3.34Å; I191-S247 PolarHBondContact N-O 3.5Å; I191-T249 HydrophobicContact CG1-CG2 4.5Å
192E97.3Very high96.8Very high28 Ų2849.1 Ų49.113%0.13124%0.241CC..EExtended strand (participates in β ladder)trans-104.1135.5-169.3-64.9173101.500110.4F12 R16 P190 Y232 R233F12-E192 HydrophobicContact CE1-CB 4.26Å; F12-E192 HydrophobicContact CZ-CB 4.21Å; R16-E192 IonicContact CZ-OE1 3.56Å; R16-E192 IonicContact NE-OE1 3.59Å; R16-E192 IonicContact NH1-OE1 2.82Å; R16-E192 IonicContact NH2-OE1 3.44Å; P190-E192 HydrophobicContact CB-CG 4.08Å; P190-E192 HydrophobicContact CG-CG 4.11Å; E192-Y232 CarbonylContact O-C 3.48Å; E192-Y232 WeakPolarHBondContact O-CA 3.36Å; E192-R233 HydrophobicContact CB-CB 4.45Å; E192-R233 VanDerWaalsContact CD-NH2 3.28Å; E192-R233 PolarHBondContact N-O 2.99Å; E192-R233 PolarHBondContact O-N 3.47Å; E192-R233 IonicContact OE1-NH2 3.74Å; E192-R233 PolarHBondContact OE1-NH2 2.82Å; E192-R233 IonicContact OE2-CZ 2.83Å; E192-R233 IonicContact OE2-NE 3.57Å; E192-R233 PolarHBondContact OE2-NE 3.45Å; E192-R233 IonicContact OE2-NH2 3.47Å; E192-R233 PolarHBondContact OE2-NH2 2.98Å
193R97.9Very high96.8Very high45 Ų4550.9 Ų50.917%0.1725%0.25CS..EExtended strand (participates in β ladder)trans-103.8139.8174.3-176-169.1175.6130.8-1.3110.2D89 D195 L231 Y232 R242D89-R193 WeakPolarHBondContact OD2-CD 3.3Å; D89-R193 IonicContact OD2-NH1 3.12Å; D89-R193 PolarHBondContact OD2-NH1 3.03Å; R193-D195 IonicContact CZ-OD1 3.16Å; R193-D195 IonicContact NE-OD1 3.19Å; R193-D195 PolarHBondContact NE-OD1 3.29Å; R193-D195 IonicContact NE-OD2 3.57Å; R193-D195 IonicContact NH2-OD1 3.49Å; R193-D195 PolarHBondContact NH2-OD1 3.32Å; R193-D195 VanDerWaalsContact NH2-OD1 3.09Å; R193-D195 IonicContact NH2-OD2 2.82Å; R193-L231 CarbonylContact C-O 3.56Å; R193-L231 VanDerWaalsContact CA-O 3.31Å; R193-L231 WeakPolarHBondContact CA-O 3.12Å; R193-Y232 HydrophobicContact CB-CD1 4.2Å; R193-Y232 HydrophobicContact CB-CE1 3.72Å; R193-Y232 WeakPolarHBondContact CD-OH 3.49Å; R193-Y232 HydrophobicContact CG-CE1 4.05Å; R193-Y232 HydrophobicContact CG-CE2 4.04Å; R193-Y232 PolarHBondContact NH1-OH 2.83Å; R193-R242 PolarHBondContact NH1-O 3.31Å; R193-R242 VanDerWaalsContact NH1-O 3.14Å
194L97.1Very high96.8Very high13 Ų1347.4 Ų47.47%0.06823%0.234CC..EExtended strand (participates in β ladder)trans-139.4125.8168.6-169.367.2000110.2F12 E15 R16 V196 L231F12-L194 HydrophobicContact CD1-CD2 4.25Å; F12-L194 HydrophobicContact CD2-CB 4.21Å; F12-L194 HydrophobicContact CD2-CD2 4.18Å; F12-L194 HydrophobicContact CE1-CB 4.08Å; F12-L194 HydrophobicContact CE1-CD2 4.28Å; F12-L194 HydrophobicContact CE2-CB 3.45Å; F12-L194 VanDerWaalsContact CE2-CB 3.45Å; F12-L194 HydrophobicContact CE2-CD2 4.22Å; F12-L194 HydrophobicContact CG-CD2 4.21Å; F12-L194 HydrophobicContact CZ-CB 3.38Å; F12-L194 HydrophobicContact CZ-CD2 4.28Å; F12-L194 HydrophobicContact CZ-CG 4.47Å; F12-L194 WeakPolarHBondContact O-CD2 3.48Å; E15-L194 HydrophobicContact CB-CD2 3.93Å; E15-L194 HydrophobicContact CG-CD2 3.77Å; R16-L194 HydrophobicContact CB-CD1 4.23Å; R16-L194 HydrophobicContact CB-CD2 4.13Å; L194-V196 HydrophobicContact CB-CG1 4.29Å; L194-V196 HydrophobicContact CD2-CG1 3.67Å; L194-V196 HydrophobicContact CG-CG1 3.67Å; L194-L231 PolarHBondContact N-O 3.06Å; L194-L231 PolarHBondContact O-N 3.22Å
195D95.8Very high96.8Very high43 Ų4347.3 Ų47.323%0.2323%0.233CC..EExtended strand (participates in β ladder)trans-91.9110175.8-69.9-15.2000107.9Q19 R92 R193 K228 P230Q19-D195 PolarHBondContact NE2-O 2.85Å; R92-D195 IonicContact NH2-OD2 2.92Å; R193-D195 IonicContact CZ-OD1 3.16Å; R193-D195 IonicContact NE-OD1 3.19Å; R193-D195 PolarHBondContact NE-OD1 3.29Å; R193-D195 IonicContact NE-OD2 3.57Å; R193-D195 IonicContact NH2-OD1 3.49Å; R193-D195 PolarHBondContact NH2-OD1 3.32Å; R193-D195 VanDerWaalsContact NH2-OD1 3.09Å; R193-D195 IonicContact NH2-OD2 2.82Å; D195-K228 HydrophobicContact CB-CB 3.7Å; D195-K228 HydrophobicContact CB-CG 4.25Å; D195-P230 WeakPolarHBondContact OD1-CA 3.41Å; D195-P230 VanDerWaalsContact OD1-CB 3.29Å; D195-P230 WeakPolarHBondContact OD1-CB 3.47Å
196V96Very high96.7Very high0 Ų050.8 Ų50.80%025%0.252CS..EExtended strand (participates in β ladder)trans-113.9160.6-170.8-54.80000113.5E15 L194 V200 A201 K228 I229 L231E15-V196 HydrophobicContact CG-CB 4.45Å; E15-V196 HydrophobicContact CG-CG1 3.78Å; L194-V196 HydrophobicContact CB-CG1 4.29Å; L194-V196 HydrophobicContact CD2-CG1 3.67Å; L194-V196 HydrophobicContact CG-CG1 3.67Å; V196-V200 HydrophobicContact CB-CB 4.1Å; V196-V200 HydrophobicContact CB-CG1 4.02Å; V196-V200 HydrophobicContact CG1-CG1 4.26Å; V196-V200 HydrophobicContact CG2-CB 4.32Å; V196-V200 HydrophobicContact CG2-CG1 4.31Å; V196-A201 HydrophobicContact CG2-CB 3.95Å; V196-K228 CarbonylContact O-C 3.6Å; V196-K228 WeakPolarHBondContact O-CA 3.34Å; V196-I229 PolarHBondContact N-O 3.09Å; V196-I229 PolarHBondContact O-N 3.41Å; V196-L231 HydrophobicContact CB-CD1 4.46Å; V196-L231 HydrophobicContact CG1-CD1 4.07Å; V196-L231 HydrophobicContact CG2-CD1 3.52Å; V196-L231 HydrophobicContact CG2-CG 3.88Å
197D94.2Very high96.5Very high51 Ų5147.9 Ų47.927%0.27324%0.242SC..  trans-69.2155.7171.8-68.5-47.5000112.3S199 V200 A201 K228D197-S199 PolarHBondContact O-N 3.35Å; D197-V200 HydrophobicContact CB-CG2 4.47Å; D197-V200 PolarHBondContact O-N 3.29Å; D197-V200 VanDerWaalsContact O-N 3.09Å; D197-A201 PolarHBondContact O-N 3.32Å; D197-K228 WeakPolarHBondContact OD1-CD 3.27Å; D197-K228 WeakPolarHBondContact OD1-CE 3.21Å; D197-K228 IonicContact OD1-NZ 3.18Å; D197-K228 PolarHBondContact OD1-NZ 3.45Å; D197-K228 IonicContact OD2-NZ 2.7Å; D197-K228 PolarHBondContact OD2-NZ 2.99Å
198V93.4Very high96.5Very high34 Ų3442.6 Ų42.621%0.20622%0.22CC..Hα-helixtrans-55.2-37.7177.9177.50000111.7A201 K202 V215 A219 I229V198-A201 PolarHBondContact O-N 2.85Å; V198-K202 HydrophobicContact CG1-CD 4.21Å; V198-K202 HydrophobicContact CG1-CG 4.37Å; V198-K202 WeakPolarHBondContact O-CB 3.37Å; V198-K202 VanDerWaalsContact O-CG 3.3Å; V198-K202 WeakPolarHBondContact O-CG 3.35Å; V198-K202 PolarHBondContact O-N 2.74Å; V198-V215 HydrophobicContact CG1-CG1 3.95Å; V198-A219 HydrophobicContact CG1-CB 3.8Å; V198-A219 HydrophobicContact CG2-CB 3.86Å; V198-I229 HydrophobicContact CG2-CD1 4.17Å
199S94.7Very high96.4Very high81 Ų8144.4 Ų44.457%0.56622%0.22SC*.Hα-helixtrans-62.2-45.8177.449.30000112.2D197 K202 E203D197-S199 PolarHBondContact O-N 3.35Å; S199-K202 PolarHBondContact O-N 3.24Å; S199-E203 PolarHBondContact O-N 3.33Å
200V96.4Very high96.3Very high22 Ų2241.8 Ų41.813%0.13321%0.209CC..Hα-helixtrans-64.5-44.9177.8178.10000110.4E15 V196 D197 K202 E203 M204E15-V200 HydrophobicContact CB-CG1 4.22Å; E15-V200 HydrophobicContact CG-CG1 4.09Å; V196-V200 HydrophobicContact CB-CB 4.1Å; V196-V200 HydrophobicContact CB-CG1 4.02Å; V196-V200 HydrophobicContact CG1-CG1 4.26Å; V196-V200 HydrophobicContact CG2-CB 4.32Å; V196-V200 HydrophobicContact CG2-CG1 4.31Å; D197-V200 HydrophobicContact CB-CG2 4.47Å; D197-V200 PolarHBondContact O-N 3.29Å; D197-V200 VanDerWaalsContact O-N 3.09Å; V200-K202 VanDerWaalsContact C-N 3.35Å; V200-K202 PolarHBondContact O-N 3.03Å; V200-E203 PolarHBondContact O-N 3.33Å; V200-M204 HydrophobicContact CG1-CE 3.55Å; V200-M204 HydrophobicContact CG1-SD 4.18Å; V200-M204 WeakPolarHBondContact O-CG 3.39Å; V200-M204 PolarHBondContact O-N 3.35Å
201A96.5Very high96.2Very high0 Ų039.9 Ų39.90%020%0.196CC..Hα-helixtrans-61.1-41.917600000112.1V196 D197 V198 E203 M204 F205 V215 I229V196-A201 HydrophobicContact CG2-CB 3.95Å; D197-A201 PolarHBondContact O-N 3.32Å; V198-A201 PolarHBondContact O-N 2.85Å; A201-E203 PolarHBondContact O-N 3.03Å; A201-M204 PolarHBondContact O-N 3.34Å; A201-F205 VanDerWaalsContact O-CD2 3.26Å; A201-F205 WeakPolarHBondContact O-CD2 3.12Å; A201-F205 PolarHBondContact O-N 3.4Å; A201-V215 HydrophobicContact CB-CG1 4Å; A201-V215 HydrophobicContact CB-CG2 3.87Å; A201-I229 HydrophobicContact CB-CB 4.44Å; A201-I229 HydrophobicContact CB-CD1 3.94Å
202K95.9Very high96Very high86 Ų8641.5 Ų41.537%0.37421%0.207SC..Hα-helixtrans-61-43.8175.2-77.7-179.3175-173.30112.1V198 S199 V200 M204 F205 Q206 V215 Q216V198-K202 HydrophobicContact CG1-CD 4.21Å; V198-K202 HydrophobicContact CG1-CG 4.37Å; V198-K202 WeakPolarHBondContact O-CB 3.37Å; V198-K202 VanDerWaalsContact O-CG 3.3Å; V198-K202 WeakPolarHBondContact O-CG 3.35Å; V198-K202 PolarHBondContact O-N 2.74Å; S199-K202 PolarHBondContact O-N 3.24Å; V200-K202 VanDerWaalsContact C-N 3.35Å; V200-K202 PolarHBondContact O-N 3.03Å; K202-M204 VanDerWaalsContact C-N 3.35Å; K202-F205 PolarHBondContact O-N 2.85Å; K202-Q206 WeakPolarHBondContact O-CB 3.39Å; K202-Q206 PolarHBondContact O-N 2.87Å; K202-V215 HydrophobicContact CG-CG1 3.64Å; K202-Q216 VanDerWaalsContact CE-OE1 3.26Å
203E97.1Very high95.8Very high98 Ų9843.1 Ų43.146%0.45822%0.215SC..Hα-helixtrans-64.2-40.1177.5-172-174.8168.100112.1R7 L11 S199 V200 A201 Q206R7-E203 PolarHBondContact NH1-O 3.19Å; R7-E203 PolarHBondContact NH2-O 3.44Å; R7-E203 VanDerWaalsContact NH2-O 3.09Å; L11-E203 HydrophobicContact CD1-CG 3.98Å; L11-E203 WeakPolarHBondContact CD2-OE1 3.37Å; S199-E203 PolarHBondContact O-N 3.33Å; V200-E203 PolarHBondContact O-N 3.33Å; A201-E203 PolarHBondContact O-N 3.03Å; E203-Q206 WeakPolarHBondContact O-CG 3.47Å
204M97.5Very high95.5Very high0 Ų042 Ų420%021%0.212CC..Hα-helixtrans-63.5-45.8175.9-73.3175.3178.700111.7R7 R8 L11 F12 V200 A201 K202 L231R7-M204 PolarHBondContact NH2-O 3.22Å; R8-M204 WeakPolarHBondContact CD-O 3.2Å; R8-M204 HydrophobicContact CG-CB 4.46Å; R8-M204 WeakPolarHBondContact CG-O 3.49Å; L11-M204 VanDerWaalsContact C-CE 3.43Å; L11-M204 HydrophobicContact CB-CE 3.83Å; L11-M204 HydrophobicContact CB-CG 3.86Å; L11-M204 HydrophobicContact CD1-CG 3.99Å; F12-M204 VanDerWaalsContact CA-CE 3.43Å; F12-M204 HydrophobicContact CB-CE 4.03Å; V200-M204 HydrophobicContact CG1-CE 3.55Å; V200-M204 HydrophobicContact CG1-SD 4.18Å; V200-M204 WeakPolarHBondContact O-CG 3.39Å; V200-M204 PolarHBondContact O-N 3.35Å; A201-M204 PolarHBondContact O-N 3.34Å; K202-M204 VanDerWaalsContact C-N 3.35Å; M204-L231 HydrophobicContact CE-CD1 4.29Å; M204-L231 HydrophobicContact SD-CD1 3.27Å; M204-L231 WeakPolarHBondContact SD-CD1 3.42Å
205F97.1Very high95.3Very high0 Ų041.4 Ų41.40%021%0.209CC..Hα-helixtrans-100.814-171.7-65.7-70.1000115.1A201 K202 D207 N208 K211 S212 V215 L231 V238 I240A201-F205 VanDerWaalsContact O-CD2 3.26Å; A201-F205 WeakPolarHBondContact O-CD2 3.12Å; A201-F205 PolarHBondContact O-N 3.4Å; K202-F205 PolarHBondContact O-N 2.85Å; F205-D207 PolarHBondContact O-N 3.4Å; F205-D207 VanDerWaalsContact O-N 3.11Å; F205-N208 CarbonylContact O-C 3.41Å; F205-N208 PolarHBondContact O-N 2.98Å; F205-K211 HydrophobicContact CB-CB 3.67Å; F205-K211 HydrophobicContact CD1-CB 3.63Å; F205-K211 HydrophobicContact CD1-CG 3.86Å; F205-K211 HydrophobicContact CE1-CB 4.42Å; F205-K211 HydrophobicContact CE1-CG 4.3Å; F205-K211 HydrophobicContact CG-CB 3.69Å; F205-K211 HydrophobicContact CG-CG 4.42Å; F205-S212 PolarHBondContact O-OG 2.66Å; F205-V215 HydrophobicContact CD2-CG2 4.33Å; F205-L231 HydrophobicContact CE2-CD1 4.31Å; F205-L231 HydrophobicContact CE2-CD2 3.71Å; F205-L231 HydrophobicContact CZ-CD2 4.23Å; F205-V238 HydrophobicContact CZ-CG1 4.32Å; F205-I240 HydrophobicContact CD2-CD1 3.95Å; F205-I240 HydrophobicContact CD2-CG1 4.1Å; F205-I240 HydrophobicContact CE2-CD1 3.86Å; F205-I240 HydrophobicContact CE2-CG1 3.47Å; F205-I240 VanDerWaalsContact CE2-CG1 3.47Å; F205-I240 HydrophobicContact CZ-CD1 4.35Å; F205-I240 HydrophobicContact CZ-CG1 3.74Å
206Q96.1Very high95.1Very high130 Ų13043 Ų4361%0.60722%0.215SC*.THydrogen-bonded Turntrans-57.8-25.6-179.564.9179.4-23.100114.4K202 E203 N208K202-Q206 WeakPolarHBondContact O-CB 3.39Å; K202-Q206 PolarHBondContact O-N 2.87Å; E203-Q206 WeakPolarHBondContact O-CG 3.47Å; Q206-N208 VanDerWaalsContact C-N 3.33Å
207D94.3Very high94.8Very high65 Ų6544.1 Ų44.135%0.34822%0.223SC..THydrogen-bonded Turntrans-82.9-7.2176.655.3-92.4000113.9I4 R7 F205I4-D207 HydrophobicContact CD1-CB 4.29Å; I4-D207 HydrophobicContact CG2-CB 4.39Å; I4-D207 VanDerWaalsContact CG2-CG 3.43Å; I4-D207 WeakPolarHBondContact CG2-OD2 3.11Å; R7-D207 IonicContact CZ-OD1 2.63Å; R7-D207 IonicContact NH2-OD1 3.36Å; R7-D207 PolarHBondContact NH2-OD1 2.83Å; F205-D207 PolarHBondContact O-N 3.4Å; F205-D207 VanDerWaalsContact O-N 3.11Å
208N96.6Very high94.5Very high6 Ų642.2 Ų42.23%0.03221%0.212CC..  trans-121.9109.2-179.6-174.8-40.2000110.8L141 F205 Q206 F210 K211 S212L141-N208 PolarHBondContact O-ND2 2.89Å; L141-N208 PolarHBondContact O-OD1 3.23Å; F205-N208 CarbonylContact O-C 3.41Å; F205-N208 PolarHBondContact O-N 2.98Å; Q206-N208 VanDerWaalsContact C-N 3.33Å; N208-F210 PolarHBondContact O-N 3.38Å; N208-F210 PolarHBondContact OD1-N 3.48Å; N208-K211 HydrophobicContact CB-CB 4.06Å; N208-K211 HydrophobicContact CB-CG 4.04Å; N208-K211 VanDerWaalsContact CG-CG 3.43Å; N208-K211 PolarHBondContact O-N 2.99Å; N208-K211 PolarHBondContact OD1-N 3.05Å; N208-K211 VanDerWaalsContact OD1-N 3.08Å; N208-S212 WeakPolarHBondContact O-CB 3.5Å; N208-S212 PolarHBondContact O-N 3Å; N208-S212 PolarHBondContact O-OG 2.97Å; N208-S212 VanDerWaalsContact O-OG 3.13Å
209R95.6Very high94.2Very high126 Ų12641.8 Ų41.848%0.47521%0.213SC..Hα-helixtrans-58.8-40.7-177.468.5-174.1-166.9-106.38.4113.8D159 E213D159-R209 IonicContact OD2-CZ 3.72Å; D159-R209 IonicContact OD2-NH1 3.24Å; D159-R209 PolarHBondContact OD2-NH1 2.91Å; D159-R209 IonicContact OD2-NH2 3.97Å; D159-R209 PolarHBondContact OD2-NH2 2.94Å; R209-E213 PolarHBondContact O-N 2.81Å
210F96.1Very high93.8Very high5 Ų543.6 Ų43.62%0.02222%0.216CC..Hα-helixtrans-71.2-43.1-177.8-58.4-54.7000111.3T140 H142 D159 N208 E213 Q214 F268 L271T140-F210 HydrophobicContact CG2-CD2 3.71Å; T140-F210 HydrophobicContact CG2-CE2 3.84Å; H142-F210 HydrophobicContact CB-CB 4.33Å; H142-F210 HydrophobicContact CB-CD2 3.85Å; H142-F210 HydrophobicContact CB-CE2 4.3Å; H142-F210 HydrophobicContact CB-CG 4.14Å; H142-F210 AromaticContact CD2-CD1 3.39Å; H142-F210 WeakPolarHBondContact CD2-CD1 3.44Å; H142-F210 AromaticContact CD2-CD2 3.89Å; H142-F210 AromaticContact CD2-CE1 3.86Å; H142-F210 AromaticContact CD2-CG 3.39Å; H142-F210 WeakPolarHBondContact CD2-CG 3.38Å; D159-F210 HydrophobicContact CB-CE2 3.67Å; D159-F210 HydrophobicContact CB-CZ 3.99Å; N208-F210 PolarHBondContact O-N 3.38Å; N208-F210 PolarHBondContact OD1-N 3.48Å; F210-E213 PolarHBondContact O-N 3.39Å; F210-Q214 WeakPolarHBondContact O-CB 3.38Å; F210-Q214 PolarHBondContact O-N 3.21Å; F210-F268 AromaticContact CD1-CD1 3.93Å; F210-F268 HydrophobicContact CD1-CD1 3.93Å; F210-F268 HydrophobicContact CE1-CB 3.93Å; F210-F268 HydrophobicContact CE1-CD1 4.01Å; F210-F268 HydrophobicContact CE1-CG 4.3Å; F210-L271 HydrophobicContact CE2-CD2 4.26Å; F210-L271 HydrophobicContact CZ-CD2 3.92Å
211K95.6Very high93.1Very high1 Ų144.9 Ų44.90%0.00422%0.224CC..Hα-helixtrans-67.6-37.9177.5-60.3-65.5-175.3-178.40111.4H142 Y156 F205 N208 Q214 V215 D239 I240H142-K211 WeakPolarHBondContact O-CD 3.22Å; H142-K211 WeakPolarHBondContact O-CE 3.37Å; H142-K211 PolarHBondContact O-NZ 3.41Å; Y156-K211 PolarHBondContact OH-NZ 3.21Å; F205-K211 HydrophobicContact CB-CB 3.67Å; F205-K211 HydrophobicContact CD1-CB 3.63Å; F205-K211 HydrophobicContact CD1-CG 3.86Å; F205-K211 HydrophobicContact CE1-CB 4.42Å; F205-K211 HydrophobicContact CE1-CG 4.3Å; F205-K211 HydrophobicContact CG-CB 3.69Å; F205-K211 HydrophobicContact CG-CG 4.42Å; N208-K211 HydrophobicContact CB-CB 4.06Å; N208-K211 HydrophobicContact CB-CG 4.04Å; N208-K211 VanDerWaalsContact CG-CG 3.43Å; N208-K211 PolarHBondContact O-N 2.99Å; N208-K211 PolarHBondContact OD1-N 3.05Å; N208-K211 VanDerWaalsContact OD1-N 3.08Å; K211-Q214 WeakPolarHBondContact O-CB 3.44Å; K211-Q214 PolarHBondContact O-N 3.47Å; K211-V215 VanDerWaalsContact O-CG2 3.28Å; K211-V215 WeakPolarHBondContact O-CG2 3.47Å; K211-V215 PolarHBondContact O-N 2.81Å; K211-D239 WeakPolarHBondContact CE-OD1 3.39Å; K211-D239 IonicContact NZ-OD1 3.56Å; K211-D239 PolarHBondContact NZ-OD1 3.16Å; K211-D239 IonicContact NZ-OD2 2.78Å; K211-D239 PolarHBondContact NZ-OD2 3.18Å; K211-D239 VanDerWaalsContact NZ-OD2 3.12Å; K211-I240 HydrophobicContact CB-CD1 4.35Å; K211-I240 HydrophobicContact CD-CD1 4.23Å
212S94.8Very high92.1Very high37 Ų3746.4 Ų46.426%0.25923%0.231SC..Hα-helixtrans-60.2-44.8172.6-73.20000112.2F205 N208 V215 Q216F205-S212 PolarHBondContact O-OG 2.66Å; N208-S212 WeakPolarHBondContact O-CB 3.5Å; N208-S212 PolarHBondContact O-N 3Å; N208-S212 PolarHBondContact O-OG 2.97Å; N208-S212 VanDerWaalsContact O-OG 3.13Å; S212-V215 PolarHBondContact O-N 2.94Å; S212-Q216 PolarHBondContact O-N 3.45Å
213E93.2Very high91Very high62 Ų6250.7 Ų50.729%0.2925%0.25SC..Hα-helixtrans-65.2-42.2175.2-173172.9170.100111.9R209 F210 V215 Q216 S217 R308R209-E213 PolarHBondContact O-N 2.81Å; F210-E213 PolarHBondContact O-N 3.39Å; E213-V215 PolarHBondContact O-N 3.29Å; E213-Q216 PolarHBondContact O-N 2.96Å; E213-S217 WeakPolarHBondContact O-CB 3.23Å; E213-S217 PolarHBondContact O-N 3.15Å; E213-R308 WeakPolarHBondContact OE1-CD 3.47Å; E213-R308 WeakPolarHBondContact OE1-CG 3.47Å; E213-R308 IonicContact OE1-CZ 3.74Å; E213-R308 IonicContact OE1-NE 3.4Å; E213-R308 PolarHBondContact OE1-NE 2.88Å; E213-R308 IonicContact OE1-NH2 2.73Å
214Q92.4Very high89.1Confident23 Ų2356.5 Ų56.511%0.10727%0.274CS..Hα-helixtrans-58-47.3174.4177.4172.827.800111.5F210 K211 Q216 S217 I218 I240 Y311F210-Q214 WeakPolarHBondContact O-CB 3.38Å; F210-Q214 PolarHBondContact O-N 3.21Å; K211-Q214 WeakPolarHBondContact O-CB 3.44Å; K211-Q214 PolarHBondContact O-N 3.47Å; Q214-Q216 VanDerWaalsContact C-N 3.32Å; Q214-Q216 PolarHBondContact O-N 3.49Å; Q214-S217 PolarHBondContact O-N 3.04Å; Q214-I218 HydrophobicContact CG-CD1 3.77Å; Q214-I218 HydrophobicContact CG-CG1 4.46Å; Q214-I218 WeakPolarHBondContact O-CB 3.35Å; Q214-I218 WeakPolarHBondContact O-CG1 3.41Å; Q214-I218 PolarHBondContact O-N 3.29Å; Q214-I240 HydrophobicContact CG-CD1 4.28Å; Q214-Y311 HydrophobicContact CB-CD1 4.07Å; Q214-Y311 HydrophobicContact CB-CE1 3.61Å; Q214-Y311 HydrophobicContact CG-CD1 3.67Å; Q214-Y311 HydrophobicContact CG-CE1 3.48Å; Q214-Y311 VanDerWaalsContact CG-CE1 3.48Å
215V93.1Very high87Confident0 Ų060.2 Ų60.20%031%0.312CS..Hα-helixtrans-59.3-44176.5167.40000110.9V198 A201 K202 F205 K211 S212 E213 A219 I229 I240V198-V215 HydrophobicContact CG1-CG1 3.95Å; A201-V215 HydrophobicContact CB-CG1 4Å; A201-V215 HydrophobicContact CB-CG2 3.87Å; K202-V215 HydrophobicContact CG-CG1 3.64Å; F205-V215 HydrophobicContact CD2-CG2 4.33Å; K211-V215 VanDerWaalsContact O-CG2 3.28Å; K211-V215 WeakPolarHBondContact O-CG2 3.47Å; K211-V215 PolarHBondContact O-N 2.81Å; S212-V215 PolarHBondContact O-N 2.94Å; E213-V215 PolarHBondContact O-N 3.29Å; V215-A219 WeakPolarHBondContact O-CB 3.48Å; V215-A219 PolarHBondContact O-N 2.85Å; V215-I229 HydrophobicContact CB-CD1 4.23Å; V215-I229 HydrophobicContact CG1-CD1 3.72Å; V215-I229 HydrophobicContact CG2-CD1 4.15Å; V215-I240 HydrophobicContact CG2-CD1 3.58Å
216Q90.9Very high85.1Confident75 Ų7563.4 Ų63.435%0.3535%0.345SS..Hα-helixtrans-65.8-41.6178.7-174.659.558.700112.2K202 S212 E213 Q214 A219 N220K202-Q216 VanDerWaalsContact CE-OE1 3.26Å; S212-Q216 PolarHBondContact O-N 3.45Å; E213-Q216 PolarHBondContact O-N 2.96Å; Q214-Q216 VanDerWaalsContact C-N 3.32Å; Q214-Q216 PolarHBondContact O-N 3.49Å; Q216-A219 WeakPolarHBondContact O-CB 3.23Å; Q216-A219 PolarHBondContact O-N 2.9Å; Q216-N220 PolarHBondContact NE2-OD1 3.09Å; Q216-N220 PolarHBondContact O-N 3.48Å; Q216-N220 PolarHBondContact O-ND2 3.41Å; Q216-N220 PolarHBondContact O-OD1 3.09Å
217S89Confident84Confident24 Ų2461.4 Ų61.417%0.16833%0.334CS..Hα-helixtrans-68.6-41.3179.7-171.80000112.1E213 Q214 A219 N220 T221 Y311E213-S217 WeakPolarHBondContact O-CB 3.23Å; E213-S217 PolarHBondContact O-N 3.15Å; Q214-S217 PolarHBondContact O-N 3.04Å; S217-A219 VanDerWaalsContact C-N 3.31Å; S217-A219 PolarHBondContact O-N 3.39Å; S217-N220 PolarHBondContact O-N 2.99Å; S217-N220 VanDerWaalsContact O-N 3.16Å; S217-T221 WeakPolarHBondContact O-CG2 3.47Å; S217-T221 PolarHBondContact O-N 2.91Å; S217-T221 PolarHBondContact O-OG1 2.92Å; S217-Y311 VanDerWaalsContact CB-CB 3.45Å; S217-Y311 WeakPolarHBondContact OG-CB 3.3Å
218I87.8Confident83.9Confident11 Ų1162.1 Ų62.16%0.05633%0.334CS..Hα-helixtrans-56.1-48.4170.2-71.5169.6000109.8Q214 N220 T221 M222 I229 I240 L313Q214-I218 HydrophobicContact CG-CD1 3.77Å; Q214-I218 HydrophobicContact CG-CG1 4.46Å; Q214-I218 WeakPolarHBondContact O-CB 3.35Å; Q214-I218 WeakPolarHBondContact O-CG1 3.41Å; Q214-I218 PolarHBondContact O-N 3.29Å; I218-N220 VanDerWaalsContact C-N 3.28Å; I218-N220 PolarHBondContact O-N 3.16Å; I218-T221 PolarHBondContact O-N 2.96Å; I218-T221 PolarHBondContact O-OG1 3.12Å; I218-M222 HydrophobicContact CG2-CE 3.22Å; I218-M222 HydrophobicContact CG2-CG 4.47Å; I218-M222 HydrophobicContact CG2-SD 3.82Å; I218-M222 WeakPolarHBondContact O-CG 3.5Å; I218-M222 PolarHBondContact O-N 2.84Å; I218-I229 HydrophobicContact CG2-CD1 4.12Å; I218-I229 HydrophobicContact CG2-CG1 3.98Å; I218-I240 HydrophobicContact CD1-CG2 4.26Å; I218-L313 HydrophobicContact CG1-CD2 4.42Å; I218-L313 HydrophobicContact CG2-CD1 4.12Å
219A86.9Confident83.7Confident26 Ų2661.9 Ų61.922%0.21533%0.333CS..Hα-helixtrans-60.5-33.8178.600000113.5V198 V215 Q216 S217V198-A219 HydrophobicContact CG1-CB 3.8Å; V198-A219 HydrophobicContact CG2-CB 3.86Å; V215-A219 WeakPolarHBondContact O-CB 3.48Å; V215-A219 PolarHBondContact O-N 2.85Å; Q216-A219 WeakPolarHBondContact O-CB 3.23Å; Q216-A219 PolarHBondContact O-N 2.9Å; S217-A219 VanDerWaalsContact C-N 3.31Å; S217-A219 PolarHBondContact O-N 3.39Å
220N86.3Confident83.7Confident118 Ų11856.9 Ų56.963%0.63132%0.317SS*.Hα-helixtrans-73-30.3179.4-67.9-11.5000113.1Q216 S217 I218 M222Q216-N220 PolarHBondContact NE2-OD1 3.09Å; Q216-N220 PolarHBondContact O-N 3.48Å; Q216-N220 PolarHBondContact O-ND2 3.41Å; Q216-N220 PolarHBondContact O-OD1 3.09Å; S217-N220 PolarHBondContact O-N 2.99Å; S217-N220 VanDerWaalsContact O-N 3.16Å; I218-N220 VanDerWaalsContact C-N 3.28Å; I218-N220 PolarHBondContact O-N 3.16Å; N220-M222 VanDerWaalsContact C-N 3.32Å
221T82Confident83.8Confident50 Ų5056.7 Ų56.731%0.30732%0.316SS..Hα-helixtrans-86.3-10.3-178.162.80000112.6S217 I218 K223 V312S217-T221 WeakPolarHBondContact O-CG2 3.47Å; S217-T221 PolarHBondContact O-N 2.91Å; S217-T221 PolarHBondContact O-OG1 2.92Å; I218-T221 PolarHBondContact O-N 2.96Å; I218-T221 PolarHBondContact O-OG1 3.12Å; T221-K223 PolarHBondContact O-N 2.7Å; T221-V312 HydrophobicContact CG2-CB 4.15Å; T221-V312 HydrophobicContact CG2-CG1 4.15Å; T221-V312 HydrophobicContact CG2-CG2 4Å
222M75.6Confident83.9Confident31 Ų3156.6 Ų56.615%0.15332%0.316CS..SBendtrans-79.6112.5-179.3-82.3176.8169.700111.8I218 N220 K224 K227 I229 L313I218-M222 HydrophobicContact CG2-CE 3.22Å; I218-M222 HydrophobicContact CG2-CG 4.47Å; I218-M222 HydrophobicContact CG2-SD 3.82Å; I218-M222 WeakPolarHBondContact O-CG 3.5Å; I218-M222 PolarHBondContact O-N 2.84Å; N220-M222 VanDerWaalsContact C-N 3.32Å; M222-K224 PolarHBondContact O-N 2.77Å; M222-K227 HydrophobicContact CB-CB 4.05Å; M222-K227 HydrophobicContact CB-CD 3.56Å; M222-K227 HydrophobicContact CB-CG 4.29Å; M222-K227 HydrophobicContact CE-CB 3.76Å; M222-K227 HydrophobicContact CG-CB 3.65Å; M222-K227 HydrophobicContact CG-CD 3.49Å; M222-K227 VanDerWaalsContact CG-CD 3.49Å; M222-K227 HydrophobicContact CG-CG 4.2Å; M222-K227 HydrophobicContact SD-CB 3.36Å; M222-K227 WeakPolarHBondContact SD-CB 3.34Å; M222-K227 HydrophobicContact SD-CD 4.38Å; M222-K227 HydrophobicContact SD-CG 4.49Å; M222-I229 HydrophobicContact CE-CG1 4.17Å; M222-L313 HydrophobicContact CE-CD1 4.13Å; M222-L313 HydrophobicContact CG-CD1 4.22Å
223K72.8Confident84.1Confident176 Ų17655.8 Ų55.877%0.76531%0.307SS*.  trans-44.7137.5164.2-62.5-175.1179.3179.40111.4T221 G225 K227T221-K223 PolarHBondContact O-N 2.7Å; K223-G225 PolarHBondContact O-N 2.59Å; K223-K227 VanDerWaalsContact O-CE 3.31Å; K223-K227 WeakPolarHBondContact O-CE 3.19Å
224K56.9Low84.3Confident221 Ų22152.9 Ų52.996%0.96129%0.293SS*.SBendtrans-53124-179.9-69.7-177.3177.4179.70111.1M222M222-K224 PolarHBondContact O-N 2.77Å
225G54Low84.5Confident78 Ų7852.7 Ų52.780%0.80430%0.298SS*.SBendtrans137.443.7171.800000118K223K223-G225 PolarHBondContact O-N 2.59Å
226G57.3Low84.7Confident67 Ų6754.4 Ų54.469%0.69131%0.307SS*.  trans85.757.5165.500000115.4
227K73.8Confident85Confident87 Ų8750.9 Ų50.938%0.37829%0.29SS..PPolyproline II helixtrans-98.6123.5178.8-65-169.9-176.2-174.70110.9M222 K223M222-K227 HydrophobicContact CB-CB 4.05Å; M222-K227 HydrophobicContact CB-CD 3.56Å; M222-K227 HydrophobicContact CB-CG 4.29Å; M222-K227 HydrophobicContact CE-CB 3.76Å; M222-K227 HydrophobicContact CG-CB 3.65Å; M222-K227 HydrophobicContact CG-CD 3.49Å; M222-K227 VanDerWaalsContact CG-CD 3.49Å; M222-K227 HydrophobicContact CG-CG 4.2Å; M222-K227 HydrophobicContact SD-CB 3.36Å; M222-K227 WeakPolarHBondContact SD-CB 3.34Å; M222-K227 HydrophobicContact SD-CD 4.38Å; M222-K227 HydrophobicContact SD-CG 4.49Å; K223-K227 VanDerWaalsContact O-CE 3.31Å; K223-K227 WeakPolarHBondContact O-CE 3.19Å
228K90.2Very high85.4Confident81 Ų8149.7 Ų49.735%0.35228%0.282SS..PPolyproline II helixtrans-87.7148.3-177.9-59-70.3-173.7178.70111.2D195 V196 D197D195-K228 HydrophobicContact CB-CB 3.7Å; D195-K228 HydrophobicContact CB-CG 4.25Å; V196-K228 CarbonylContact O-C 3.6Å; V196-K228 WeakPolarHBondContact O-CA 3.34Å; D197-K228 WeakPolarHBondContact OD1-CD 3.27Å; D197-K228 WeakPolarHBondContact OD1-CE 3.21Å; D197-K228 IonicContact OD1-NZ 3.18Å; D197-K228 PolarHBondContact OD1-NZ 3.45Å; D197-K228 IonicContact OD2-NZ 2.7Å; D197-K228 PolarHBondContact OD2-NZ 2.99Å
229I93.6Very high85.9Confident0 Ų049.2 Ų49.20%028%0.28CS..EExtended strand (participates in β ladder)trans-97.9120.6173.9-60.8-177.8000108V196 V198 A201 V215 I218 M222 L231 I240V196-I229 PolarHBondContact N-O 3.09Å; V196-I229 PolarHBondContact O-N 3.41Å; V198-I229 HydrophobicContact CG2-CD1 4.17Å; A201-I229 HydrophobicContact CB-CB 4.44Å; A201-I229 HydrophobicContact CB-CD1 3.94Å; V215-I229 HydrophobicContact CB-CD1 4.23Å; V215-I229 HydrophobicContact CG1-CD1 3.72Å; V215-I229 HydrophobicContact CG2-CD1 4.15Å; I218-I229 HydrophobicContact CG2-CD1 4.12Å; I218-I229 HydrophobicContact CG2-CG1 3.98Å; M222-I229 HydrophobicContact CE-CG1 4.17Å; I229-L231 HydrophobicContact CG2-CD2 4.04Å; I229-L231 PolarHBondContact O-N 3.21Å; I229-I240 HydrophobicContact CG2-CG2 3.88Å
230P95.1Very high86.4Confident22 Ų2248.4 Ų48.414%0.14327%0.272CS..EExtended strand (participates in β ladder)trans-74.2123.9178.130.1-34.5000110.9D195 S241D195-P230 WeakPolarHBondContact OD1-CA 3.41Å; D195-P230 VanDerWaalsContact OD1-CB 3.29Å; D195-P230 WeakPolarHBondContact OD1-CB 3.47Å; P230-S241 VanDerWaalsContact CB-O 3.24Å; P230-S241 WeakPolarHBondContact CB-O 3.08Å; P230-S241 WeakPolarHBondContact CG-O 3.27Å; P230-S241 PolarHBondContact O-N 3.41Å; P230-S241 VanDerWaalsContact O-O 3.13Å
231L97.8Very high86.8Confident0 Ų043.4 Ų43.40%025%0.246CC..EExtended strand (participates in β ladder)trans-114.7148.4174.8-54.9-174.2000110F12 R193 L194 V196 M204 F205 I229 V238 D239 I240F12-L231 HydrophobicContact CD2-CB 4.34Å; F12-L231 HydrophobicContact CE2-CB 4.02Å; R193-L231 CarbonylContact C-O 3.56Å; R193-L231 VanDerWaalsContact CA-O 3.31Å; R193-L231 WeakPolarHBondContact CA-O 3.12Å; L194-L231 PolarHBondContact N-O 3.06Å; L194-L231 PolarHBondContact O-N 3.22Å; V196-L231 HydrophobicContact CB-CD1 4.46Å; V196-L231 HydrophobicContact CG1-CD1 4.07Å; V196-L231 HydrophobicContact CG2-CD1 3.52Å; V196-L231 HydrophobicContact CG2-CG 3.88Å; M204-L231 HydrophobicContact CE-CD1 4.29Å; M204-L231 HydrophobicContact SD-CD1 3.27Å; M204-L231 WeakPolarHBondContact SD-CD1 3.42Å; F205-L231 HydrophobicContact CE2-CD1 4.31Å; F205-L231 HydrophobicContact CE2-CD2 3.71Å; F205-L231 HydrophobicContact CZ-CD2 4.23Å; I229-L231 HydrophobicContact CG2-CD2 4.04Å; I229-L231 PolarHBondContact O-N 3.21Å; L231-V238 HydrophobicContact CB-CG1 4.32Å; L231-V238 HydrophobicContact CD1-CG1 4.33Å; L231-D239 CarbonylContact C-O 3.54Å; L231-D239 WeakPolarHBondContact CA-O 3.15Å; L231-I240 HydrophobicContact CD2-CB 4.22Å; L231-I240 HydrophobicContact CD2-CG1 3.61Å
232Y98.4Very high87.2Confident0 Ų046 Ų460%025%0.25CS..EExtended strand (participates in β ladder)trans-121.3135.7173.7-75.7-95.2000110.5D89 I191 E192 R193 V238 D239 S241 G243 M245D89-Y232 VanDerWaalsContact OD1-CE1 3.3Å; D89-Y232 WeakPolarHBondContact OD1-CE1 3.14Å; D89-Y232 PolarHBondContact OD1-OH 3.44Å; D89-Y232 PolarHBondContact OD2-OH 3.12Å; D89-Y232 VanDerWaalsContact OD2-OH 3.12Å; I191-Y232 HydrophobicContact CG2-CD1 3.98Å; E192-Y232 CarbonylContact O-C 3.48Å; E192-Y232 WeakPolarHBondContact O-CA 3.36Å; R193-Y232 HydrophobicContact CB-CD1 4.2Å; R193-Y232 HydrophobicContact CB-CE1 3.72Å; R193-Y232 WeakPolarHBondContact CD-OH 3.49Å; R193-Y232 HydrophobicContact CG-CE1 4.05Å; R193-Y232 HydrophobicContact CG-CE2 4.04Å; R193-Y232 PolarHBondContact NH1-OH 2.83Å; Y232-V238 VanDerWaalsContact O-CA 3.3Å; Y232-V238 WeakPolarHBondContact O-CA 3.43Å; Y232-D239 PolarHBondContact N-O 2.92Å; Y232-D239 PolarHBondContact O-N 2.7Å; Y232-S241 WeakPolarHBondContact CE2-O 3.42Å; Y232-G243 WeakPolarHBondContact OH-CA 3.38Å; Y232-M245 HydrophobicContact CD1-CB 3.94Å; Y232-M245 HydrophobicContact CD1-CE 3.99Å; Y232-M245 HydrophobicContact CD1-CG 3.7Å; Y232-M245 HydrophobicContact CD1-SD 3.5Å; Y232-M245 VanDerWaalsContact CD1-SD 3.5Å; Y232-M245 HydrophobicContact CD2-CE 3.7Å; Y232-M245 HydrophobicContact CD2-SD 4.34Å; Y232-M245 HydrophobicContact CE1-CB 3.73Å; Y232-M245 HydrophobicContact CE1-CG 3.64Å; Y232-M245 HydrophobicContact CE1-SD 4.11Å; Y232-M245 HydrophobicContact CE2-CE 4.32Å; Y232-M245 HydrophobicContact CG-CE 3.51Å; Y232-M245 HydrophobicContact CG-CG 4.21Å; Y232-M245 HydrophobicContact CG-SD 3.63Å
233R98.4Very high88.1Confident20 Ų2044.6 Ų44.68%0.07524%0.243CC..EExtended strand (participates in β ladder)trans-114.8136.1174.3-176.4175.770.7-177.7-1.1110.9S9 F12 E13 E192 G235 H237 V238S9-R233 WeakPolarHBondContact OG-CD 3.22Å; F12-R233 HydrophobicContact CD1-CB 4.11Å; F12-R233 HydrophobicContact CD2-CB 4.13Å; F12-R233 HydrophobicContact CE1-CB 3.84Å; F12-R233 HydrophobicContact CE2-CB 3.84Å; F12-R233 HydrophobicContact CG-CB 4.25Å; F12-R233 HydrophobicContact CZ-CB 3.68Å; E13-R233 IonicContact OE2-CZ 3.29Å; E13-R233 VanDerWaalsContact OE2-CZ 3.23Å; E13-R233 IonicContact OE2-NH1 2.96Å; E13-R233 PolarHBondContact OE2-NH1 2.83Å; E13-R233 IonicContact OE2-NH2 3.72Å; E13-R233 PolarHBondContact OE2-NH2 2.92Å; E192-R233 HydrophobicContact CB-CB 4.45Å; E192-R233 VanDerWaalsContact CD-NH2 3.28Å; E192-R233 PolarHBondContact N-O 2.99Å; E192-R233 PolarHBondContact O-N 3.47Å; E192-R233 IonicContact OE1-NH2 3.74Å; E192-R233 PolarHBondContact OE1-NH2 2.82Å; E192-R233 IonicContact OE2-CZ 2.83Å; E192-R233 IonicContact OE2-NE 3.57Å; E192-R233 PolarHBondContact OE2-NE 3.45Å; E192-R233 IonicContact OE2-NH2 3.47Å; E192-R233 PolarHBondContact OE2-NH2 2.98Å; R233-G235 WeakPolarHBondContact CD-O 3.44Å; R233-G235 WeakPolarHBondContact CG-O 3.3Å; R233-H237 CarbonylContact C-O 3.6Å; R233-H237 VanDerWaalsContact CA-O 3.28Å; R233-H237 WeakPolarHBondContact CA-O 3.28Å; R233-V238 HydrophobicContact CB-CG2 4.09Å; R233-V238 HydrophobicContact CG-CG2 3.92Å
234V97.8Very high89.2Confident0 Ų036.6 Ų36.60%021%0.21CC..EExtended strand (participates in β ladder)trans-134.8109.7167.254.70000108.7L123 I124 L184 F189 D236 H237 T249L123-V234 HydrophobicContact CD2-CB 4.39Å; L123-V234 HydrophobicContact CD2-CG1 3.81Å; L123-V234 HydrophobicContact CG-CG1 4.08Å; I124-V234 HydrophobicContact CD1-CG1 4.09Å; I124-V234 HydrophobicContact CD1-CG2 3.94Å; L184-V234 HydrophobicContact CD2-CG2 4.47Å; F189-V234 HydrophobicContact CB-CG2 4.26Å; V234-D236 PolarHBondContact O-N 3.43Å; V234-H237 HydrophobicContact CG1-CB 4.32Å; V234-H237 PolarHBondContact N-O 3.45Å; V234-H237 PolarHBondContact O-N 3.47Å; V234-T249 HydrophobicContact CG2-CG2 3.39Å
235G96.5Very high91.2Very high20 Ų2026.1 Ų26.121%0.20616%0.164CC..THydrogen-bonded Turntrans59.2-120.4-170.700000111.7S9 R233S9-G235 PolarHBondContact OG-O 2.66Å; R233-G235 WeakPolarHBondContact CD-O 3.44Å; R233-G235 WeakPolarHBondContact CG-O 3.3Å
236D96.7Very high93.3Very high36 Ų3622.4 Ų22.419%0.19313%0.126CC..THydrogen-bonded Turntrans-91.5-2.4177.164.8-37.6000113.9R5 Y127 V234R5-D236 CarbonylContact C-O 3.57Å; R5-D236 HydrophobicContact CB-CB 4.42Å; R5-D236 WeakPolarHBondContact CB-O 3.24Å; R5-D236 IonicContact CZ-OD2 3.72Å; R5-D236 IonicContact NE-OD2 3.7Å; R5-D236 PolarHBondContact NE-OD2 2.87Å; R5-D236 IonicContact NH2-OD2 2.75Å; R5-D236 VanDerWaalsContact O-O 3.13Å; Y127-D236 VanDerWaalsContact CE2-OD1 3.31Å; Y127-D236 WeakPolarHBondContact CE2-OD1 3.24Å; V234-D236 PolarHBondContact O-N 3.43Å
237H98Very high95.2Very high0 Ų019.4 Ų19.40%09%0.094CC..EExtended strand (participates in β ladder)trans-98.8128.4-177.2175.482.9000112.3Y127 E130 R233 V234Y127-H237 HydrophobicContact CD2-CB 3.51Å; Y127-H237 HydrophobicContact CE2-CB 4.29Å; Y127-H237 HydrophobicContact CG-CB 4.35Å; E130-H237 IonicContact OE2-CE1 3.09Å; E130-H237 PolarHBondContact OE2-CE1 3.21Å; E130-H237 IonicContact OE2-CG 3.48Å; E130-H237 IonicContact OE2-ND1 2.84Å; E130-H237 PolarHBondContact OE2-ND1 3.47Å; R233-H237 CarbonylContact C-O 3.6Å; R233-H237 VanDerWaalsContact CA-O 3.28Å; R233-H237 WeakPolarHBondContact CA-O 3.28Å; V234-H237 HydrophobicContact CG1-CB 4.32Å; V234-H237 PolarHBondContact N-O 3.45Å; V234-H237 PolarHBondContact O-N 3.47Å
238V98.3Very high96.4Very high0 Ų015.5 Ų15.50%08%0.078CC..EExtended strand (participates in β ladder)trans-125.3130.1-178.1-179.10000109.5R8 F12 F205 L231 Y232 R233R8-V238 HydrophobicContact CB-CB 4.35Å; R8-V238 HydrophobicContact CB-CG2 4.46Å; R8-V238 PolarHBondContact NH1-O 2.89Å; F12-V238 HydrophobicContact CB-CG2 4.08Å; F12-V238 HydrophobicContact CD2-CG1 3.85Å; F12-V238 HydrophobicContact CD2-CG2 4.19Å; F12-V238 HydrophobicContact CG-CG2 4.34Å; F205-V238 HydrophobicContact CZ-CG1 4.32Å; L231-V238 HydrophobicContact CB-CG1 4.32Å; L231-V238 HydrophobicContact CD1-CG1 4.33Å; Y232-V238 VanDerWaalsContact O-CA 3.3Å; Y232-V238 WeakPolarHBondContact O-CA 3.43Å; R233-V238 HydrophobicContact CB-CG2 4.09Å; R233-V238 HydrophobicContact CG-CG2 3.92Å
239D97.7Very high96.8Very high0 Ų011.7 Ų11.70%06%0.061CC..EExtended strand (participates in β ladder)trans-143.9160.4178.1-146.3-29.2000113.5L123 W144 Y156 K211 L231 Y232L123-D239 HydrophobicContact CD1-CB 3.52Å; W144-D239 HydrophobicContact CH2-CB 4.22Å; W144-D239 HydrophobicContact CZ3-CB 4.39Å; W144-D239 WeakPolarHBondContact CZ3-OD2 3.33Å; Y156-D239 PolarHBondContact OH-OD2 2.87Å; K211-D239 WeakPolarHBondContact CE-OD1 3.39Å; K211-D239 IonicContact NZ-OD1 3.56Å; K211-D239 PolarHBondContact NZ-OD1 3.16Å; K211-D239 IonicContact NZ-OD2 2.78Å; K211-D239 PolarHBondContact NZ-OD2 3.18Å; K211-D239 VanDerWaalsContact NZ-OD2 3.12Å; L231-D239 CarbonylContact C-O 3.54Å; L231-D239 WeakPolarHBondContact CA-O 3.15Å; Y232-D239 PolarHBondContact N-O 2.92Å; Y232-D239 PolarHBondContact O-N 2.7Å
240I96.4Very high97Very high10 Ų1013.2 Ų13.25%0.0517%0.074CC..EExtended strand (participates in β ladder)trans-83.6121.8178-53.9169000109.2F205 K211 Q214 V215 I218 I229 L231F205-I240 HydrophobicContact CD2-CD1 3.95Å; F205-I240 HydrophobicContact CD2-CG1 4.1Å; F205-I240 HydrophobicContact CE2-CD1 3.86Å; F205-I240 HydrophobicContact CE2-CG1 3.47Å; F205-I240 VanDerWaalsContact CE2-CG1 3.47Å; F205-I240 HydrophobicContact CZ-CD1 4.35Å; F205-I240 HydrophobicContact CZ-CG1 3.74Å; K211-I240 HydrophobicContact CB-CD1 4.35Å; K211-I240 HydrophobicContact CD-CD1 4.23Å; Q214-I240 HydrophobicContact CG-CD1 4.28Å; V215-I240 HydrophobicContact CG2-CD1 3.58Å; I218-I240 HydrophobicContact CD1-CG2 4.26Å; I229-I240 HydrophobicContact CG2-CG2 3.88Å; L231-I240 HydrophobicContact CD2-CB 4.22Å; L231-I240 HydrophobicContact CD2-CG1 3.61Å
241S94.9Very high97.1Very high13 Ų1312.9 Ų12.99%0.0917%0.071CC..  trans-155.9149.4171.7-163.70000110.9P230 Y232 G243 M245P230-S241 VanDerWaalsContact CB-O 3.24Å; P230-S241 WeakPolarHBondContact CB-O 3.08Å; P230-S241 WeakPolarHBondContact CG-O 3.27Å; P230-S241 PolarHBondContact O-N 3.41Å; P230-S241 VanDerWaalsContact O-O 3.13Å; Y232-S241 WeakPolarHBondContact CE2-O 3.42Å; S241-G243 VanDerWaalsContact C-N 3.28Å; S241-G243 PolarHBondContact O-N 2.86Å; S241-M245 VanDerWaalsContact CB-CE 3.46Å
242R90.3Very high97.1Very high104 Ų10412.9 Ų12.939%0.3927%0.071SC..  trans-73-24.1176-63.6-170.6-67.7-175.8-1113R193 Q314R193-R242 PolarHBondContact NH1-O 3.31Å; R193-R242 VanDerWaalsContact NH1-O 3.14Å; R242-Q314 PolarHBondContact NH1-O 3.04Å
243G94.5Very high97Very high1 Ų113.3 Ų13.31%0.018%0.075CC..  trans63.3-158.7-17200000114.2R119 Y232 S241R119-G243 PolarHBondContact NH1-O 3.2Å; Y232-G243 WeakPolarHBondContact OH-CA 3.38Å; S241-G243 VanDerWaalsContact C-N 3.28Å; S241-G243 PolarHBondContact O-N 2.86Å
244P97.6Very high97Very high8 Ų817.1 Ų17.15%0.0529%0.093CC..  cis-69.5168.1-6.432.3-37000112L80 A87 D89 R119L80-P244 HydrophobicContact CD1-CG 4.2Å; L80-P244 HydrophobicContact CD2-CB 3.73Å; L80-P244 HydrophobicContact CD2-CG 4Å; A87-P244 HydrophobicContact CB-CG 3.87Å; D89-P244 WeakPolarHBondContact OD1-CA 3.08Å; D89-P244 WeakPolarHBondContact OD1-CB 3.35Å; R119-P244 PolarHBondContact NH1-O 3.44Å
245M97.9Very high97Very high1 Ų117.8 Ų17.81%0.00510%0.095CC..  trans-124.2160.2176.3-68.8-161.4-168.500110.8L80 D89 R119 T120 L123 W144 I191 Y232 S241L80-M245 WeakPolarHBondContact CD2-O 3.47Å; D89-M245 PolarHBondContact OD1-N 2.73Å; R119-M245 HydrophobicContact CG-CE 4.32Å; T120-M245 WeakPolarHBondContact OG1-CB 3.39Å; L123-M245 HydrophobicContact CB-CE 4.09Å; L123-M245 HydrophobicContact CB-SD 4.22Å; L123-M245 HydrophobicContact CD2-CE 3.96Å; L123-M245 HydrophobicContact CD2-SD 3.49Å; L123-M245 WeakPolarHBondContact CD2-SD 3.47Å; L123-M245 HydrophobicContact CG-CE 4.44Å; L123-M245 HydrophobicContact CG-SD 4.43Å; W144-M245 HydrophobicContact CZ2-CE 4.19Å; I191-M245 HydrophobicContact CG2-CB 3.87Å; I191-M245 HydrophobicContact CG2-SD 3.91Å; Y232-M245 HydrophobicContact CD1-CB 3.94Å; Y232-M245 HydrophobicContact CD1-CE 3.99Å; Y232-M245 HydrophobicContact CD1-CG 3.7Å; Y232-M245 HydrophobicContact CD1-SD 3.5Å; Y232-M245 VanDerWaalsContact CD1-SD 3.5Å; Y232-M245 HydrophobicContact CD2-CE 3.7Å; Y232-M245 HydrophobicContact CD2-SD 4.34Å; Y232-M245 HydrophobicContact CE1-CB 3.73Å; Y232-M245 HydrophobicContact CE1-CG 3.64Å; Y232-M245 HydrophobicContact CE1-SD 4.11Å; Y232-M245 HydrophobicContact CE2-CE 4.32Å; Y232-M245 HydrophobicContact CG-CE 3.51Å; Y232-M245 HydrophobicContact CG-CG 4.21Å; Y232-M245 HydrophobicContact CG-SD 3.63Å; S241-M245 VanDerWaalsContact CB-CE 3.46Å
246I98.2Very high97.1Very high1 Ų118.8 Ų18.81%0.00510%0.096CC..  trans-64.9160.517872.4-172000111.1A79 Y105 A116 Y117 T120 I191 S248 Q251A79-I246 HydrophobicContact CB-CG2 4.45Å; A79-I246 WeakPolarHBondContact O-CA 3.37Å; Y105-I246 WeakPolarHBondContact OH-CG2 3.13Å; A116-I246 HydrophobicContact CB-CG2 4.46Å; Y117-I246 HydrophobicContact CD2-CD1 3.64Å; Y117-I246 HydrophobicContact CD2-CG2 4.21Å; Y117-I246 HydrophobicContact CE2-CD1 4Å; T120-I246 HydrophobicContact CG2-CD1 3.74Å; T120-I246 HydrophobicContact CG2-CG1 3.81Å; T120-I246 PolarHBondContact OG1-N 3.27Å; I191-I246 VanDerWaalsContact CB-O 3.31Å; I191-I246 WeakPolarHBondContact CB-O 3.4Å; I191-I246 HydrophobicContact CD1-CD1 4.45Å; I191-I246 HydrophobicContact CD1-CG1 3.71Å; I191-I246 WeakPolarHBondContact CD1-O 3.34Å; I246-S248 PolarHBondContact O-N 3.21Å; I246-Q251 HydrophobicContact CD1-CB 4.13Å
247S97.3Very high97.2Very high4 Ų417.2 Ų17.23%0.0289%0.087CC..SBendtrans-70.9-32.8-169.762.90000115.8A78 A79 R91 I191 Q251A78-S247 PolarHBondContact O-OG 2.99Å; A79-S247 PolarHBondContact O-N 2.96Å; A79-S247 VanDerWaalsContact O-N 3.16Å; R91-S247 PolarHBondContact NE-O 3.27Å; I191-S247 PolarHBondContact N-O 3.5Å; S247-Q251 PolarHBondContact OG-NE2 2.83Å; S247-Q251 VanDerWaalsContact OG-NE2 3.07Å
248S98.2Very high97.2Very high5 Ų517.8 Ų17.84%0.0359%0.091CC..BIsolated β-bridgetrans-152.3149-174.1174.70000113D188 F189 I246 A250 Q251D188-S248 WeakPolarHBondContact OD1-CB 3.16Å; D188-S248 PolarHBondContact OD1-OG 3.46Å; F189-S248 PolarHBondContact O-OG 3.42Å; I246-S248 PolarHBondContact O-N 3.21Å; S248-A250 PolarHBondContact O-N 2.96Å; S248-A250 PolarHBondContact OG-N 3.04Å; S248-Q251 WeakPolarHBondContact O-CB 3.35Å; S248-Q251 PolarHBondContact O-N 3.43Å
249T98.4Very high97.1Very high0 Ų018.1 Ų18.10%09%0.094CC..G310 helixtrans-61-20166.456.40000114.3I124 L184 R185 F189 I191 V234 Q251 L252I124-T249 HydrophobicContact CD1-CG2 4.22Å; L184-T249 HydrophobicContact CB-CG2 4.48Å; L184-T249 PolarHBondContact O-OG1 2.95Å; L184-T249 VanDerWaalsContact O-OG1 3.06Å; R185-T249 WeakPolarHBondContact CA-O 3.27Å; F189-T249 HydrophobicContact CB-CG2 4.16Å; F189-T249 PolarHBondContact N-OG1 3.2Å; F189-T249 PolarHBondContact O-N 2.8Å; F189-T249 PolarHBondContact O-OG1 3.29Å; I191-T249 HydrophobicContact CG1-CG2 4.5Å; V234-T249 HydrophobicContact CG2-CG2 3.39Å; T249-Q251 PolarHBondContact O-N 3.15Å; T249-Q251 VanDerWaalsContact O-N 3.1Å; T249-L252 HydrophobicContact CG2-CD1 4.31Å; T249-L252 VanDerWaalsContact O-CB 3.31Å; T249-L252 WeakPolarHBondContact O-CB 3.31Å; T249-L252 VanDerWaalsContact O-CG 3.3Å; T249-L252 WeakPolarHBondContact O-CG 3.27Å; T249-L252 PolarHBondContact O-N 3.37Å
250A97.9Very high97.2Very high33 Ų3318.5 Ų18.527%0.27310%0.095SC..G310 helixtrans-59.6-20.3173.200000113.2R185 D188 S248R185-A250 WeakPolarHBondContact CG-O 3.18Å; D188-A250 HydrophobicContact CB-CB 4.11Å; D188-A250 WeakPolarHBondContact OD1-CB 3.47Å; S248-A250 PolarHBondContact O-N 2.96Å; S248-A250 PolarHBondContact OG-N 3.04Å
251Q97.9Very high97.2Very high15 Ų1520.2 Ų20.27%0.0710%0.103CC..G310 helixtrans-83.5-9.9178.8-59.1-173.8-9.200113.6D76 A78 Y105 I246 S247 S248 T249 G253 F281D76-Q251 PolarHBondContact O-NE2 3.17Å; A78-Q251 PolarHBondContact O-NE2 3.38Å; Y105-Q251 HydrophobicContact CE2-CB 4.3Å; Y105-Q251 HydrophobicContact CE2-CG 4.49Å; Y105-Q251 PolarHBondContact OH-OE1 3.13Å; I246-Q251 HydrophobicContact CD1-CB 4.13Å; S247-Q251 PolarHBondContact OG-NE2 2.83Å; S247-Q251 VanDerWaalsContact OG-NE2 3.07Å; S248-Q251 WeakPolarHBondContact O-CB 3.35Å; S248-Q251 PolarHBondContact O-N 3.43Å; T249-Q251 PolarHBondContact O-N 3.15Å; T249-Q251 VanDerWaalsContact O-N 3.1Å; Q251-G253 PolarHBondContact O-N 2.9Å; Q251-F281 PolarHBondContact O-N 3.01Å
252L98Very high97.4Very high0 Ų022 Ų220%011%0.108CC..  trans-64.8119.6175.8-65.2172.6000110.2Y117 I124 L184 R185 T249Y117-L252 HydrophobicContact CE2-CD2 4.27Å; I124-L252 HydrophobicContact CD1-CD1 4.31Å; I124-L252 HydrophobicContact CG1-CD1 4.07Å; I124-L252 HydrophobicContact CG1-CD2 4.25Å; I124-L252 HydrophobicContact CG2-CD1 4.38Å; L184-L252 HydrophobicContact CB-CD1 4.27Å; R185-L252 VanDerWaalsContact CD-O 3.22Å; R185-L252 WeakPolarHBondContact CD-O 3.27Å; R185-L252 PolarHBondContact NH1-O 3.47Å; T249-L252 HydrophobicContact CG2-CD1 4.31Å; T249-L252 VanDerWaalsContact O-CB 3.31Å; T249-L252 WeakPolarHBondContact O-CB 3.31Å; T249-L252 VanDerWaalsContact O-CG 3.3Å; T249-L252 WeakPolarHBondContact O-CG 3.27Å; T249-L252 PolarHBondContact O-N 3.37Å
253G96.6Very high97.7Very high9 Ų918 Ų189%0.0939%0.093CC..  trans-98.3-123.4179.300000113.4Y117 R185 Q251 V279 F281Y117-G253 PolarHBondContact OH-N 2.98Å; R185-G253 PolarHBondContact NH1-O 2.93Å; R185-G253 VanDerWaalsContact NH1-O 3.15Å; Q251-G253 PolarHBondContact O-N 2.9Å; G253-V279 CarbonylContact C-O 3.5Å; G253-V279 WeakPolarHBondContact CA-O 3.43Å; G253-V279 PolarHBondContact N-O 2.71Å; G253-F281 VanDerWaalsContact CA-CA 3.47Å
254F97.1Very high97.7Very high100 Ų10021.9 Ų21.944%0.43912%0.12SC..EExtended strand (participates in β ladder)trans-66.7133.4170.5-66-82.8000108.8S278 V279 I285 W290F254-S278 CarbonylContact O-C 3.51Å; F254-S278 WeakPolarHBondContact O-CA 3.34Å; F254-S278 VanDerWaalsContact O-CB 3.26Å; F254-S278 WeakPolarHBondContact O-CB 3.33Å; F254-S278 PolarHBondContact O-OG 2.95Å; F254-V279 HydrophobicContact CB-CB 4.45Å; F254-V279 PolarHBondContact N-O 3.44Å; F254-V279 PolarHBondContact O-N 3.5Å; F254-I285 HydrophobicContact CD2-CG2 3.6Å; F254-I285 HydrophobicContact CE2-CG2 3.68Å; F254-I285 HydrophobicContact CG-CG2 4.35Å; F254-I285 HydrophobicContact CZ-CG2 4.48Å; F254-W290 HydrophobicContact CB-CD2 4.25Å; F254-W290 HydrophobicContact CB-CE3 4.04Å; F254-W290 HydrophobicContact CB-CH2 3.5Å; F254-W290 VanDerWaalsContact CB-CH2 3.5Å; F254-W290 HydrophobicContact CB-CZ2 3.69Å; F254-W290 HydrophobicContact CB-CZ3 3.68Å
255Y98.3Very high97.5Very high14 Ų1422.3 Ų22.36%0.05512%0.123CC..EExtended strand (participates in β ladder)trans-141.6131.1-177.9-168.8-77.2000108.3C121 I124 L125 I128 F154 S177 P181 V257C121-Y255 HydrophobicContact CB-CE2 3.89Å; C121-Y255 PolarHBondContact O-OH 2.91Å; C121-Y255 VanDerWaalsContact O-OH 3.08Å; I124-Y255 HydrophobicContact CB-CE2 4.49Å; I124-Y255 HydrophobicContact CG2-CE2 4.24Å; L125-Y255 WeakPolarHBondContact CA-OH 3.31Å; L125-Y255 WeakPolarHBondContact CB-OH 3.49Å; L125-Y255 PolarHBondContact N-OH 3.28Å; I128-Y255 HydrophobicContact CD1-CD1 4.4Å; I128-Y255 HydrophobicContact CD1-CE1 3.62Å; F154-Y255 HydrophobicContact CE1-CE2 4.13Å; F154-Y255 HydrophobicContact CE2-CE1 4.3Å; F154-Y255 AromaticContact CE2-CE2 3.93Å; F154-Y255 HydrophobicContact CE2-CE2 3.93Å; F154-Y255 AromaticContact CE2-CZ 3.57Å; F154-Y255 WeakPolarHBondContact CE2-OH 3.48Å; F154-Y255 HydrophobicContact CZ-CD2 4.03Å; F154-Y255 AromaticContact CZ-CE1 3.96Å; F154-Y255 HydrophobicContact CZ-CE1 3.96Å; F154-Y255 AromaticContact CZ-CE2 3.4Å; F154-Y255 HydrophobicContact CZ-CE2 3.4Å; F154-Y255 AromaticContact CZ-CZ 3.36Å; S177-Y255 VanDerWaalsContact O-O 3.05Å; P181-Y255 HydrophobicContact CB-CD1 4.31Å; P181-Y255 HydrophobicContact CB-CG 4Å; P181-Y255 HydrophobicContact CG-CD1 3.48Å; P181-Y255 VanDerWaalsContact CG-CD1 3.48Å; P181-Y255 HydrophobicContact CG-CD2 4.41Å; P181-Y255 HydrophobicContact CG-CE1 4.06Å; P181-Y255 HydrophobicContact CG-CG 3.68Å; Y255-V257 HydrophobicContact CE1-CG2 4Å
256N98.3Very high97.2Very high41 Ų4130.5 Ų30.522%0.21917%0.167CC..EExtended strand (participates in β ladder)trans-138.9124.2179.1-143.74.3000110.1S177 T258 G276 V277 W290 C294S177-N256 WeakPolarHBondContact CB-OD1 3.45Å; S177-N256 PolarHBondContact OG-OD1 3.21Å; N256-T258 HydrophobicContact CB-CG2 3.98Å; N256-G276 CarbonylContact O-C 3.58Å; N256-G276 WeakPolarHBondContact O-CA 3.4Å; N256-V277 HydrophobicContact CB-CG1 4.19Å; N256-V277 PolarHBondContact N-O 2.98Å; N256-V277 PolarHBondContact O-N 3.41Å; N256-W290 HydrophobicContact CB-CH2 4.07Å; N256-W290 HydrophobicContact CB-CZ2 3.75Å; N256-C294 PolarHBondContact ND2-SG 2.63Å
257V98.5Very high96.8Very high3 Ų332.7 Ų32.72%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-79.5122.7163.3-177.40000106.6L125 F173 L176 S177 Y255 F260 V274 Q275L125-V257 HydrophobicContact CD1-CG1 4.48Å; L125-V257 HydrophobicContact CD1-CG2 3.78Å; F173-V257 HydrophobicContact CD1-CG1 4.34Å; F173-V257 VanDerWaalsContact CD1-O 3.23Å; F173-V257 WeakPolarHBondContact CD1-O 3.42Å; F173-V257 HydrophobicContact CE1-CG1 4.34Å; L176-V257 HydrophobicContact CB-CB 4.31Å; L176-V257 HydrophobicContact CB-CG2 4.05Å; S177-V257 PolarHBondContact OG-N 2.71Å; S177-V257 PolarHBondContact OG-O 3.47Å; Y255-V257 HydrophobicContact CE1-CG2 4Å; V257-F260 HydrophobicContact CG1-CD2 4.47Å; V257-F260 HydrophobicContact CG1-CE2 3.7Å; V257-V274 HydrophobicContact CG1-CG1 3.66Å; V257-Q275 CarbonylContact C-O 3.58Å; V257-Q275 WeakPolarHBondContact CA-O 3.41Å
258T98Very high96.7Very high11 Ų1133.3 Ų33.37%0.06718%0.181CC..EExtended strand (participates in β ladder)trans-115.3-24.9-16653.90000114.6N256 Q275 V277 S297N256-T258 HydrophobicContact CB-CG2 3.98Å; T258-Q275 PolarHBondContact N-O 2.71Å; T258-Q275 PolarHBondContact OG1-O 3.1Å; T258-V277 HydrophobicContact CG2-CG1 4.16Å; T258-S297 VanDerWaalsContact CB-OG 3.3Å; T258-S297 WeakPolarHBondContact CB-OG 3Å; T258-S297 WeakPolarHBondContact CG2-OG 3.35Å; T258-S297 PolarHBondContact OG1-O 3.46Å; T258-S297 PolarHBondContact OG1-OG 3.22Å
259A98.1Very high96.5Very high8 Ų834.8 Ų34.87%0.06620%0.196CC..EExtended strand (participates in β ladder)trans-158.3155.3179.700000114H261 V274 Q275A259-H261 WeakPolarHBondContact CB-NE2 3.32Å; A259-V274 WeakPolarHBondContact O-CA 3.49Å; A259-Q275 PolarHBondContact O-N 3.36Å
260F98.1Very high96.4Very high8 Ų837.1 Ų37.14%0.03521%0.213CC..EExtended strand (participates in β ladder)trans-124.7107.8171.9-79.4-120.8000107.9L129 F160 W166 Q167 P168 F173 L176 V257 Y262 V274L129-F260 HydrophobicContact CD2-CE1 4.38Å; L129-F260 HydrophobicContact CD2-CZ 4.19Å; F160-F260 HydrophobicContact CE2-CD1 4.04Å; F160-F260 AromaticContact CE2-CE1 3.98Å; F160-F260 HydrophobicContact CE2-CE1 3.98Å; F160-F260 HydrophobicContact CZ-CD1 4.2Å; F160-F260 AromaticContact CZ-CE1 3.67Å; F160-F260 HydrophobicContact CZ-CE1 3.67Å; W166-F260 HydrophobicContact CZ3-CE1 4.12Å; Q167-F260 PolarHBondContact NE2-O 3.26Å; P168-F260 HydrophobicContact CG-CB 4.35Å; P168-F260 HydrophobicContact CG-CD1 3.94Å; P168-F260 HydrophobicContact CG-CD2 3.36Å; P168-F260 HydrophobicContact CG-CE1 4Å; P168-F260 HydrophobicContact CG-CE2 3.44Å; P168-F260 VanDerWaalsContact CG-CE2 3.44Å; P168-F260 HydrophobicContact CG-CG 3.64Å; P168-F260 HydrophobicContact CG-CZ 3.78Å; F173-F260 AromaticContact CE1-CD2 3.78Å; F173-F260 HydrophobicContact CE1-CD2 3.78Å; F173-F260 AromaticContact CE1-CE2 3.97Å; F173-F260 HydrophobicContact CE1-CE2 3.97Å; F173-F260 HydrophobicContact CZ-CD2 4.01Å; L176-F260 HydrophobicContact CD1-CE2 4.09Å; L176-F260 HydrophobicContact CD1-CZ 3.87Å; V257-F260 HydrophobicContact CG1-CD2 4.47Å; V257-F260 HydrophobicContact CG1-CE2 3.7Å; F260-Y262 HydrophobicContact CB-CE2 4.21Å; F260-V274 HydrophobicContact CD1-CG2 3.77Å; F260-V274 HydrophobicContact CD2-CG1 4.07Å; F260-V274 HydrophobicContact CE1-CG1 4.29Å; F260-V274 HydrophobicContact CE1-CG2 3.65Å; F260-V274 HydrophobicContact CE2-CG1 3.65Å; F260-V274 HydrophobicContact CE2-CG2 4.44Å; F260-V274 HydrophobicContact CG-CG2 4.22Å; F260-V274 HydrophobicContact CZ-CG1 3.76Å; F260-V274 HydrophobicContact CZ-CG2 4Å
261H97.9Very high96.3Very high45 Ų4535.6 Ų35.621%0.20820%0.2CC..EExtended strand (participates in β ladder)trans-109.1107.6-177.8-66.8-81.4000109.7A259 Y263 C272 R273 Q275 K298 M300A259-H261 WeakPolarHBondContact CB-NE2 3.32Å; H261-Y263 WeakPolarHBondContact O-CD1 3.37Å; H261-C272 CarbonylContact O-C 3.49Å; H261-C272 WeakPolarHBondContact O-CA 3.42Å; H261-R273 HydrophobicContact CB-CB 4.38Å; H261-R273 PolarHBondContact N-O 2.75Å; H261-R273 PolarHBondContact O-N 2.78Å; H261-Q275 PolarHBondContact CD2-NE2 3.25Å; H261-K298 PolarHBondContact CE1-O 3.44Å; H261-K298 VanDerWaalsContact CE1-O 3.29Å; H261-K298 PolarHBondContact NE2-O 3.03Å; H261-M300 HydrophobicContact CB-CE 4.08Å; H261-M300 HydrophobicContact CB-CG 4.15Å; H261-M300 HydrophobicContact CB-SD 4.25Å
262Y97.4Very high96.3Very high50 Ų5034.9 Ų34.920%0.19620%0.197CC..EExtended strand (participates in β ladder)trans-83.2134.6176.9-69.6-90.2000110.9F160 N164 G165 W166 F260 L271 C272F160-Y262 AromaticContact CD2-CE1 3.83Å; F160-Y262 HydrophobicContact CD2-CE1 3.83Å; F160-Y262 AromaticContact CD2-CZ 3.98Å; F160-Y262 WeakPolarHBondContact CD2-OH 3.37Å; N164-Y262 VanDerWaalsContact OD1-CD1 3.29Å; N164-Y262 WeakPolarHBondContact OD1-CD1 3.11Å; G165-Y262 VanDerWaalsContact N-CD1 3.34Å; W166-Y262 WeakPolarHBondContact O-CE2 3.34Å; W166-Y262 PolarHBondContact O-OH 3.43Å; F260-Y262 HydrophobicContact CB-CE2 4.21Å; Y262-L271 WeakPolarHBondContact CA-O 2.94Å; Y262-C272 HydrophobicContact CD1-CB 3.68Å; Y262-C272 HydrophobicContact CE1-CB 3.49Å; Y262-C272 VanDerWaalsContact CE1-CB 3.49Å; Y262-C272 HydrophobicContact CE2-CB 4.47Å; Y262-C272 HydrophobicContact CG-CB 4.28Å; Y262-C272 VanDerWaalsContact CZ-SG 3.58Å
263Y96.7Very high96.3Very high20 Ų2035 Ų358%0.07820%0.197CC..EExtended strand (participates in β ladder)trans-152164.418065.4-77.2000110.5D157 H261 T265 L271 R273 M300 R305 P306D157-Y263 PolarHBondContact OD1-OH 3.25Å; D157-Y263 PolarHBondContact OD2-OH 3.44Å; H261-Y263 WeakPolarHBondContact O-CD1 3.37Å; Y263-T265 HydrophobicContact CD2-CG2 3.83Å; Y263-T265 HydrophobicContact CE2-CG2 3.4Å; Y263-L271 HydrophobicContact CE1-CB 4.05Å; Y263-L271 HydrophobicContact CE2-CB 4.32Å; Y263-L271 PolarHBondContact N-O 3Å; Y263-L271 PolarHBondContact O-N 2.82Å; Y263-R273 HydrophobicContact CD1-CB 4.37Å; Y263-R273 HydrophobicContact CE1-CB 3.7Å; Y263-M300 HydrophobicContact CD1-CE 3.98Å; Y263-M300 HydrophobicContact CG-CE 4.25Å; Y263-R305 HydrophobicContact CD2-CG 4.41Å; Y263-R305 HydrophobicContact CE2-CB 4.18Å; Y263-R305 HydrophobicContact CE2-CG 3.92Å; Y263-P306 WeakPolarHBondContact OH-CD 3.29Å
264S94.9Very high96.4Very high83 Ų8334.5 Ų34.558%0.5819%0.193SC*.EExtended strand (participates in β ladder)trans-108.9150.4173.2-58.50000110.5G269S264-G269 CarbonylContact C-O 3.56Å; S264-G269 WeakPolarHBondContact CA-O 3.46Å
265T93.1Very high96.5Very high18 Ų1829.8 Ų29.811%0.1117%0.172CC..EExtended strand (participates in β ladder)trans-124.4149.4176.463.60000109.6Y263 D267 F268 G269 L271Y263-T265 HydrophobicContact CD2-CG2 3.83Å; Y263-T265 HydrophobicContact CE2-CG2 3.4Å; T265-D267 VanDerWaalsContact C-N 3.28Å; T265-D267 PolarHBondContact O-N 3.12Å; T265-F268 WeakPolarHBondContact OG1-CA 3.43Å; T265-F268 WeakPolarHBondContact OG1-CB 3.49Å; T265-F268 PolarHBondContact OG1-N 3.46Å; T265-G269 PolarHBondContact N-O 2.84Å; T265-G269 WeakPolarHBondContact O-CA 3.25Å; T265-G269 PolarHBondContact O-N 3.34Å; T265-G269 VanDerWaalsContact O-N 3.15Å; T265-G269 PolarHBondContact OG1-N 2.9Å; T265-G269 VanDerWaalsContact OG1-N 3.16Å; T265-G269 PolarHBondContact OG1-O 3.35Å; T265-L271 HydrophobicContact CG2-CD1 3.97Å
266D91.7Very high96.5Very high172 Ų17229.1 Ų29.192%0.9217%0.169SC*.THydrogen-bonded Turntrans-66.5-33.5178.4-58.9-31.6000111.8
267D91.4Very high96.5Very high47 Ų4727.5 Ų27.525%0.25116%0.161SC..THydrogen-bonded Turntrans-90.1-34.9-174.2-77.4-47.1000114.5T265 S307 R308T265-D267 VanDerWaalsContact C-N 3.28Å; T265-D267 PolarHBondContact O-N 3.12Å; D267-S307 WeakPolarHBondContact OD2-CA 3.43Å; D267-R308 HydrophobicContact CB-CG 4.01Å; D267-R308 PolarHBondContact O-NH2 3.36Å; D267-R308 VanDerWaalsContact O-NH2 3.1Å; D267-R308 WeakPolarHBondContact OD1-CD 3.47Å; D267-R308 IonicContact OD1-CZ 3.79Å; D267-R308 IonicContact OD1-NE 3.77Å; D267-R308 IonicContact OD1-NH1 2.78Å; D267-R308 PolarHBondContact OD1-NH1 2.96Å; D267-R308 PolarHBondContact OD2-N 2.8Å
268F93.7Very high96.4Very high18 Ų1827.6 Ų27.68%0.07916%0.161CC..THydrogen-bonded Turntrans-1231.8-166.9-52.5-67.6000113.8H142 F210 T265 L271 P306 R308 Y311H142-F268 AromaticContact NE2-CD1 3.79Å; H142-F268 AromaticContact NE2-CD2 3.53Å; H142-F268 AromaticContact NE2-CE1 3.87Å; H142-F268 AromaticContact NE2-CE2 3.6Å; H142-F268 AromaticContact NE2-CG 3.64Å; H142-F268 AromaticContact NE2-CZ 3.79Å; F210-F268 AromaticContact CD1-CD1 3.93Å; F210-F268 HydrophobicContact CD1-CD1 3.93Å; F210-F268 HydrophobicContact CE1-CB 3.93Å; F210-F268 HydrophobicContact CE1-CD1 4.01Å; F210-F268 HydrophobicContact CE1-CG 4.3Å; T265-F268 WeakPolarHBondContact OG1-CA 3.43Å; T265-F268 WeakPolarHBondContact OG1-CB 3.49Å; T265-F268 PolarHBondContact OG1-N 3.46Å; F268-L271 HydrophobicContact CB-CD1 4.2Å; F268-P306 HydrophobicContact CD2-CB 3.8Å; F268-P306 HydrophobicContact CE2-CB 3.86Å; F268-R308 HydrophobicContact CE1-CG 4.3Å; F268-R308 HydrophobicContact CZ-CG 3.86Å; F268-Y311 HydrophobicContact CE1-CE2 4.45Å; F268-Y311 AromaticContact CZ-CE2 3.78Å; F268-Y311 HydrophobicContact CZ-CE2 3.78Å
269G94.2Very high96.4Very high35 Ų3528.2 Ų28.236%0.36117%0.165SC..EExtended strand (participates in β ladder)trans69.5-143.8-177.400000112.2S264 T265S264-G269 CarbonylContact C-O 3.56Å; S264-G269 WeakPolarHBondContact CA-O 3.46Å; T265-G269 PolarHBondContact N-O 2.84Å; T265-G269 WeakPolarHBondContact O-CA 3.25Å; T265-G269 PolarHBondContact O-N 3.34Å; T265-G269 VanDerWaalsContact O-N 3.15Å; T265-G269 PolarHBondContact OG1-N 2.9Å; T265-G269 VanDerWaalsContact OG1-N 3.16Å; T265-G269 PolarHBondContact OG1-O 3.35Å
270S96.2Very high96.3Very high50 Ų5028.2 Ų28.235%0.3517%0.165SC..EExtended strand (participates in β ladder)trans-74.5128.8-177-58.90000112
271L97.4Very high96.2Very high0 Ų034.1 Ų34.10%019%0.19CC..EExtended strand (participates in β ladder)trans-132.1162.9175-65.5179.1000110.1D159 F210 Y262 Y263 T265 F268 P306D159-L271 HydrophobicContact CB-CD2 3.98Å; F210-L271 HydrophobicContact CE2-CD2 4.26Å; F210-L271 HydrophobicContact CZ-CD2 3.92Å; Y262-L271 WeakPolarHBondContact CA-O 2.94Å; Y263-L271 HydrophobicContact CE1-CB 4.05Å; Y263-L271 HydrophobicContact CE2-CB 4.32Å; Y263-L271 PolarHBondContact N-O 3Å; Y263-L271 PolarHBondContact O-N 2.82Å; T265-L271 HydrophobicContact CG2-CD1 3.97Å; F268-L271 HydrophobicContact CB-CD1 4.2Å; L271-P306 HydrophobicContact CD1-CB 4.31Å; L271-P306 HydrophobicContact CD1-CG 3.93Å
272C97.7Very high96Very high1 Ų135.7 Ų35.71%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-118.3131167.7-172.60000109.1D157 V158 F160 H261 Y262D157-C272 CarbonylContact C-O 3.54Å; D157-C272 WeakPolarHBondContact CA-O 3.26Å; V158-C272 HydrophobicContact CG1-CB 4.04Å; V158-C272 WeakPolarHBondContact CG1-O 3.37Å; V158-C272 PolarHBondContact N-O 3.04Å; V158-C272 PolarHBondContact O-N 3.31Å; F160-C272 HydrophobicContact CD2-CB 3.65Å; F160-C272 HydrophobicContact CE2-CB 3.62Å; H261-C272 CarbonylContact O-C 3.49Å; H261-C272 WeakPolarHBondContact O-CA 3.42Å; Y262-C272 HydrophobicContact CD1-CB 3.68Å; Y262-C272 HydrophobicContact CE1-CB 3.49Å; Y262-C272 VanDerWaalsContact CE1-CB 3.49Å; Y262-C272 HydrophobicContact CE2-CB 4.47Å; Y262-C272 HydrophobicContact CG-CB 4.28Å; Y262-C272 VanDerWaalsContact CZ-SG 3.58Å
273R98Very high95.9Very high1 Ų136.2 Ų36.20%0.00421%0.208CC..EExtended strand (participates in β ladder)trans-93.8107.7167.6-179.6162.6-73.8-177.4-7.4108.6V155 D157 H261 Y263 Q275 L303 E304V155-R273 HydrophobicContact CB-CG 3.96Å; V155-R273 HydrophobicContact CG1-CG 4.31Å; D157-R273 VanDerWaalsContact OD1-CB 3.27Å; D157-R273 WeakPolarHBondContact OD1-CB 3.45Å; D157-R273 IonicContact OD1-CZ 2.79Å; D157-R273 IonicContact OD1-NE 3.56Å; D157-R273 PolarHBondContact OD1-NE 2.98Å; D157-R273 IonicContact OD1-NH2 2.71Å; D157-R273 PolarHBondContact OD1-NH2 2.94Å; D157-R273 IonicContact OD2-CZ 3.23Å; D157-R273 IonicContact OD2-NE 3.47Å; D157-R273 IonicContact OD2-NH2 3.5Å; D157-R273 PolarHBondContact OD2-NH2 2.97Å; H261-R273 HydrophobicContact CB-CB 4.38Å; H261-R273 PolarHBondContact N-O 2.75Å; H261-R273 PolarHBondContact O-N 2.78Å; Y263-R273 HydrophobicContact CD1-CB 4.37Å; Y263-R273 HydrophobicContact CE1-CB 3.7Å; R273-Q275 HydrophobicContact CG-CG 3.78Å; R273-L303 PolarHBondContact NH1-O 3.47Å; R273-E304 PolarHBondContact NH2-O 3.41Å
274V98.4Very high95.7Very high0 Ų047.1 Ų47.10%025%0.249CC..EExtended strand (participates in β ladder)trans-87.5135.6171.3-171.20000108.3L125 L129 V155 Y156 V158 F160 V257 A259 F260L125-V274 HydrophobicContact CD1-CG1 3.91Å; L125-V274 HydrophobicContact CD2-CB 4.14Å; L125-V274 HydrophobicContact CD2-CG1 4Å; L125-V274 WeakPolarHBondContact CD2-O 3.35Å; L125-V274 HydrophobicContact CG-CG1 4.29Å; L129-V274 HydrophobicContact CD1-CB 4.11Å; L129-V274 HydrophobicContact CD1-CG1 4.49Å; L129-V274 HydrophobicContact CD1-CG2 3.91Å; L129-V274 HydrophobicContact CD2-CG1 4.31Å; L129-V274 HydrophobicContact CD2-CG2 4.07Å; V155-V274 CarbonylContact C-O 3.56Å; V155-V274 VanDerWaalsContact CA-O 3.27Å; V155-V274 WeakPolarHBondContact CA-O 3.37Å; Y156-V274 PolarHBondContact N-O 3.41Å; Y156-V274 PolarHBondContact O-N 3.37Å; V158-V274 HydrophobicContact CG1-CG2 3.79Å; F160-V274 HydrophobicContact CE2-CG2 4.35Å; F160-V274 HydrophobicContact CZ-CG2 4.45Å; V257-V274 HydrophobicContact CG1-CG1 3.66Å; A259-V274 WeakPolarHBondContact O-CA 3.49Å; F260-V274 HydrophobicContact CD1-CG2 3.77Å; F260-V274 HydrophobicContact CD2-CG1 4.07Å; F260-V274 HydrophobicContact CE1-CG1 4.29Å; F260-V274 HydrophobicContact CE1-CG2 3.65Å; F260-V274 HydrophobicContact CE2-CG1 3.65Å; F260-V274 HydrophobicContact CE2-CG2 4.44Å; F260-V274 HydrophobicContact CG-CG2 4.22Å; F260-V274 HydrophobicContact CZ-CG1 3.76Å; F260-V274 HydrophobicContact CZ-CG2 4Å
275Q98Very high95.8Very high0 Ų045.2 Ų45.20%023%0.231CC..EExtended strand (participates in β ladder)trans-129.6153.9-173.5-49.8-172.421.900110.7S153 F154 V155 V257 T258 A259 H261 R273 A299 S301S153-Q275 PolarHBondContact OG-OE1 3.48Å; F154-Q275 WeakPolarHBondContact O-CA 3.42Å; V155-Q275 HydrophobicContact CB-CG 4.3Å; V155-Q275 HydrophobicContact CG1-CB 4.26Å; V155-Q275 HydrophobicContact CG1-CG 3.75Å; V257-Q275 CarbonylContact C-O 3.58Å; V257-Q275 WeakPolarHBondContact CA-O 3.41Å; T258-Q275 PolarHBondContact N-O 2.71Å; T258-Q275 PolarHBondContact OG1-O 3.1Å; A259-Q275 PolarHBondContact O-N 3.36Å; H261-Q275 PolarHBondContact CD2-NE2 3.25Å; R273-Q275 HydrophobicContact CG-CG 3.78Å; Q275-A299 PolarHBondContact OE1-O 3.03Å; Q275-S301 VanDerWaalsContact NE2-N 3.19Å; Q275-S301 VanDerWaalsContact OE1-CB 3.26Å
276G98.2Very high96Very high0 Ų049.1 Ų49.10%025%0.252CS..EExtended strand (participates in β ladder)trans-156.5171.1174.100000113.5S153 F154 N256S153-G276 CarbonylContact C-O 3.39Å; S153-G276 VanDerWaalsContact CA-O 3.25Å; S153-G276 WeakPolarHBondContact CA-O 3.4Å; S153-G276 WeakPolarHBondContact CB-O 3.39Å; F154-G276 VanDerWaalsContact CD1-O 3.32Å; F154-G276 WeakPolarHBondContact CD1-O 3.39Å; F154-G276 WeakPolarHBondContact CE1-O 3.37Å; F154-G276 PolarHBondContact N-O 2.83Å; F154-G276 PolarHBondContact O-N 3.08Å; N256-G276 CarbonylContact O-C 3.58Å; N256-G276 WeakPolarHBondContact O-CA 3.4Å
277V98.2Very high96.3Very high8 Ų845.3 Ų45.35%0.04824%0.239CC..EExtended strand (participates in β ladder)trans-128.9147.1174.768.80000109.6N256 T258 W290 V293 C294N256-V277 HydrophobicContact CB-CG1 4.19Å; N256-V277 PolarHBondContact N-O 2.98Å; N256-V277 PolarHBondContact O-N 3.41Å; T258-V277 HydrophobicContact CG2-CG1 4.16Å; V277-W290 HydrophobicContact CG1-CH2 3.99Å; V277-W290 HydrophobicContact CG1-CZ3 4.07Å; V277-V293 HydrophobicContact CG2-CB 4.29Å; V277-V293 HydrophobicContact CG2-CG2 4.21Å; V277-C294 HydrophobicContact CG1-CB 4.45Å
278S98Very high96.6Very high4 Ų451.9 Ų51.93%0.02826%0.26CS..EExtended strand (participates in β ladder)trans-153145.4-178.9-174.40000111.7Y117 F254Y117-S278 PolarHBondContact OH-OG 3.34Å; F254-S278 CarbonylContact O-C 3.51Å; F254-S278 WeakPolarHBondContact O-CA 3.34Å; F254-S278 VanDerWaalsContact O-CB 3.26Å; F254-S278 WeakPolarHBondContact O-CB 3.33Å; F254-S278 PolarHBondContact O-OG 2.95Å
279V97.1Very high96.8Very high24 Ų2452.2 Ų52.215%0.14527%0.266CS..EExtended strand (participates in β ladder)trans-120.7129.7175.2174.40000107.7Y117 G253 F254 Q283 I285 W290Y117-V279 PolarHBondContact OH-O 3.27Å; G253-V279 CarbonylContact C-O 3.5Å; G253-V279 WeakPolarHBondContact CA-O 3.43Å; G253-V279 PolarHBondContact N-O 2.71Å; F254-V279 HydrophobicContact CB-CB 4.45Å; F254-V279 PolarHBondContact N-O 3.44Å; F254-V279 PolarHBondContact O-N 3.5Å; V279-Q283 HydrophobicContact CG1-CB 3.59Å; V279-I285 HydrophobicContact CB-CG2 4.47Å; V279-I285 HydrophobicContact CG1-CG2 4.3Å; V279-I285 HydrophobicContact CG2-CD1 3.99Å; V279-I285 HydrophobicContact CG2-CG2 4.41Å; V279-W290 HydrophobicContact CG2-CE3 4.25Å; V279-W290 HydrophobicContact CG2-CZ3 4.01Å
280P97.1Very high96.9Very high9 Ų952.5 Ų52.56%0.05826%0.256CS..  trans-56.5151.8179.8-22.229.9000112.9Y105 Y117 T282 Q283Y105-P280 HydrophobicContact CD1-CB 3.73Å; Y105-P280 HydrophobicContact CD1-CG 3.38Å; Y105-P280 HydrophobicContact CD2-CB 4.23Å; Y105-P280 HydrophobicContact CE1-CB 3.64Å; Y105-P280 HydrophobicContact CE1-CG 3.37Å; Y105-P280 HydrophobicContact CE2-CB 4.17Å; Y105-P280 HydrophobicContact CG-CB 4.03Å; Y105-P280 HydrophobicContact CG-CG 4.12Å; Y117-P280 HydrophobicContact CD1-CG 3.72Å; Y117-P280 HydrophobicContact CD2-CB 4.36Å; Y117-P280 HydrophobicContact CD2-CG 3.99Å; Y117-P280 HydrophobicContact CE1-CB 4.49Å; Y117-P280 HydrophobicContact CE1-CG 3.74Å; Y117-P280 HydrophobicContact CE2-CB 4.01Å; Y117-P280 HydrophobicContact CE2-CG 3.94Å; Y117-P280 HydrophobicContact CG-CG 3.91Å; P280-T282 VanDerWaalsContact C-N 3.25Å; P280-T282 PolarHBondContact O-N 2.99Å; P280-Q283 HydrophobicContact CB-CG 4.05Å; P280-Q283 HydrophobicContact CG-CG 4.08Å; P280-Q283 WeakPolarHBondContact O-CB 3.42Å; P280-Q283 PolarHBondContact O-N 3.44Å
281F96Very high97Very high131 Ų13156.2 Ų56.258%0.57527%0.268SS*.THydrogen-bonded Turntrans-60.5-32.7-172.7-179.1-109.4000114.2Q251 G253 Q283Q251-F281 PolarHBondContact O-N 3.01Å; G253-F281 VanDerWaalsContact CA-CA 3.47Å; F281-Q283 VanDerWaalsContact C-N 3.3Å
282T92.5Very high97Very high78 Ų7858.6 Ų58.648%0.47928%0.283SS..THydrogen-bonded Turntrans-79.6-13.3179.253.50000113.3P280P280-T282 VanDerWaalsContact C-N 3.25Å; P280-T282 PolarHBondContact O-N 2.99Å
283Q94.8Very high97Very high62 Ų6261 Ų6129%0.2930%0.297SS..SBendtrans-88.7136.6-179.8-64-58.6-51.100110.4Y105 V279 P280 F281Y105-Q283 VanDerWaalsContact CB-NE2 3.28Å; Y105-Q283 PolarHBondContact O-NE2 2.9Å; V279-Q283 HydrophobicContact CG1-CB 3.59Å; P280-Q283 HydrophobicContact CB-CG 4.05Å; P280-Q283 HydrophobicContact CG-CG 4.08Å; P280-Q283 WeakPolarHBondContact O-CB 3.42Å; P280-Q283 PolarHBondContact O-N 3.44Å; F281-Q283 VanDerWaalsContact C-N 3.3Å
284R94.1Very high97Very high249 Ų24961.4 Ų61.494%0.9430%0.3SS*.  trans-92.9135.7179.6-65-174.7178.6-173.80.1109.9
285I96.5Very high96.9Very high42 Ų4267.6 Ų67.622%0.21533%0.329CS..  trans-141.4134.3170.8-170.1163.1000108.3F254 V279 A289 W290 V293F254-I285 HydrophobicContact CD2-CG2 3.6Å; F254-I285 HydrophobicContact CE2-CG2 3.68Å; F254-I285 HydrophobicContact CG-CG2 4.35Å; F254-I285 HydrophobicContact CZ-CG2 4.48Å; V279-I285 HydrophobicContact CB-CG2 4.47Å; V279-I285 HydrophobicContact CG1-CG2 4.3Å; V279-I285 HydrophobicContact CG2-CD1 3.99Å; V279-I285 HydrophobicContact CG2-CG2 4.41Å; I285-A289 HydrophobicContact CD1-CB 4.15Å; I285-A289 HydrophobicContact CG1-CB 3.75Å; I285-W290 HydrophobicContact CD1-CB 4.18Å; I285-W290 HydrophobicContact CD1-CE3 4.2Å; I285-W290 HydrophobicContact CG1-CB 4.18Å; I285-W290 HydrophobicContact CG2-CB 4.36Å; I285-W290 HydrophobicContact CG2-CE3 4.49Å; I285-V293 HydrophobicContact CD1-CG2 4.2Å
286N97.4Very high96.8Very high100 Ų10072.4 Ų72.454%0.53535%0.354SS..  trans-81.4162.6175.469.361.3000110.5W288 A289 W290N286-W288 VanDerWaalsContact C-N 3.33Å; N286-W288 PolarHBondContact O-N 3.33Å; N286-W288 PolarHBondContact OD1-N 2.77Å; N286-A289 PolarHBondContact O-N 2.78Å; N286-A289 PolarHBondContact OD1-N 3.37Å; N286-W290 WeakPolarHBondContact O-CB 3.46Å; N286-W290 PolarHBondContact O-N 2.87Å
287S96.9Very high96.8Very high93 Ų9372.5 Ų72.565%0.6536%0.355SS*.Hα-helixtrans-57.3-42.9-174.8-51.30000113.3W290 E291S287-W290 PolarHBondContact O-N 3.33Å; S287-E291 WeakPolarHBondContact O-CG 3.43Å; S287-E291 PolarHBondContact O-N 2.87Å
288W97.6Very high96.8Very high184 Ų18477.5 Ų77.570%0.69738%0.376SS*.Hα-helixtrans-64.5-48.2-180175.781.6000111.8N286 W290 E291 V292N286-W288 VanDerWaalsContact C-N 3.33Å; N286-W288 PolarHBondContact O-N 3.33Å; N286-W288 PolarHBondContact OD1-N 2.77Å; W288-W290 VanDerWaalsContact C-N 3.28Å; W288-W290 PolarHBondContact O-N 2.86Å; W288-E291 PolarHBondContact O-N 3.33Å; W288-V292 HydrophobicContact CD2-CG2 4.15Å; W288-V292 HydrophobicContact CH2-CG2 4.26Å; W288-V292 HydrophobicContact CZ2-CG2 3.86Å; W288-V292 WeakPolarHBondContact O-CG2 3.35Å; W288-V292 PolarHBondContact O-N 3.03Å
289A97.9Very high96.7Very high25 Ų2580.6 Ų80.621%0.20740%0.402CS..Hα-helixtrans-61.9-38.5177.300000111.6I285 N286 V292 V293I285-A289 HydrophobicContact CD1-CB 4.15Å; I285-A289 HydrophobicContact CG1-CB 3.75Å; N286-A289 PolarHBondContact O-N 2.78Å; N286-A289 PolarHBondContact OD1-N 3.37Å; A289-V292 PolarHBondContact O-N 3.05Å; A289-V293 PolarHBondContact O-N 2.9Å
290W97.6Very high96.6Very high42 Ų4282.7 Ų82.716%0.15941%0.411CS..Hα-helixtrans-63.4-43.7175.1177.7-114.7000112.2F254 N256 V277 V279 I285 N286 S287 W288 V293 C294F254-W290 HydrophobicContact CB-CD2 4.25Å; F254-W290 HydrophobicContact CB-CE3 4.04Å; F254-W290 HydrophobicContact CB-CH2 3.5Å; F254-W290 VanDerWaalsContact CB-CH2 3.5Å; F254-W290 HydrophobicContact CB-CZ2 3.69Å; F254-W290 HydrophobicContact CB-CZ3 3.68Å; N256-W290 HydrophobicContact CB-CH2 4.07Å; N256-W290 HydrophobicContact CB-CZ2 3.75Å; V277-W290 HydrophobicContact CG1-CH2 3.99Å; V277-W290 HydrophobicContact CG1-CZ3 4.07Å; V279-W290 HydrophobicContact CG2-CE3 4.25Å; V279-W290 HydrophobicContact CG2-CZ3 4.01Å; I285-W290 HydrophobicContact CD1-CB 4.18Å; I285-W290 HydrophobicContact CD1-CE3 4.2Å; I285-W290 HydrophobicContact CG1-CB 4.18Å; I285-W290 HydrophobicContact CG2-CB 4.36Å; I285-W290 HydrophobicContact CG2-CE3 4.49Å; N286-W290 WeakPolarHBondContact O-CB 3.46Å; N286-W290 PolarHBondContact O-N 2.87Å; S287-W290 PolarHBondContact O-N 3.33Å; W288-W290 VanDerWaalsContact C-N 3.28Å; W288-W290 PolarHBondContact O-N 2.86Å; W290-V293 HydrophobicContact CE3-CG2 3.75Å; W290-V293 HydrophobicContact CZ3-CG2 4.21Å; W290-V293 WeakPolarHBondContact O-CG2 3.49Å; W290-V293 PolarHBondContact O-N 2.98Å; W290-C294 WeakPolarHBondContact O-CB 3.31Å; W290-C294 PolarHBondContact O-N 3.16Å; W290-C294 PolarHBondContact O-SG 3.01Å
291E97.5Very high96.5Very high128 Ų12882.6 Ų82.660%0.59841%0.411SS*.Hα-helixtrans-61.8-42.8175.3-75.4172.3-169.900111.9S287 W288 C294 H295S287-E291 WeakPolarHBondContact O-CG 3.43Å; S287-E291 PolarHBondContact O-N 2.87Å; W288-E291 PolarHBondContact O-N 3.33Å; E291-C294 PolarHBondContact O-N 3.41Å; E291-H295 WeakPolarHBondContact O-CB 3.27Å; E291-H295 PolarHBondContact O-N 2.81Å
292V97.9Very high96.4Very high50 Ų5081.6 Ų81.630%0.30342%0.417SS..Hα-helixtrans-60.8-49.5177.31710000111.3W288 A289 C294 H295 N296W288-V292 HydrophobicContact CD2-CG2 4.15Å; W288-V292 HydrophobicContact CH2-CG2 4.26Å; W288-V292 HydrophobicContact CZ2-CG2 3.86Å; W288-V292 WeakPolarHBondContact O-CG2 3.35Å; W288-V292 PolarHBondContact O-N 3.03Å; A289-V292 PolarHBondContact O-N 3.05Å; V292-C294 VanDerWaalsContact C-N 3.32Å; V292-C294 PolarHBondContact O-N 2.83Å; V292-H295 PolarHBondContact O-N 3.44Å; V292-N296 WeakPolarHBondContact O-CB 3.43Å; V292-N296 VanDerWaalsContact O-CG 3.26Å; V292-N296 PolarHBondContact O-N 2.78Å
293V96.8Very high96.4Very high50 Ų5079 Ų7930%0.30340%0.401SS..Hα-helixtrans-66.2-35.5179.4-60.10000112V277 I285 A289 W290 N296 S297V277-V293 HydrophobicContact CG2-CB 4.29Å; V277-V293 HydrophobicContact CG2-CG2 4.21Å; I285-V293 HydrophobicContact CD1-CG2 4.2Å; A289-V293 PolarHBondContact O-N 2.9Å; W290-V293 HydrophobicContact CE3-CG2 3.75Å; W290-V293 HydrophobicContact CZ3-CG2 4.21Å; W290-V293 WeakPolarHBondContact O-CG2 3.49Å; W290-V293 PolarHBondContact O-N 2.98Å; V293-N296 PolarHBondContact O-N 3.33Å; V293-S297 WeakPolarHBondContact O-CB 3.34Å; V293-S297 PolarHBondContact O-N 2.75Å; V293-S297 PolarHBondContact O-OG 3.2Å
294C97.7Very high96.3Very high11 Ų1181 Ų817%0.07441%0.41CS..Hα-helixtrans-67.6-34.4174.3-69.60000113N256 V277 W290 E291 V292 S297 K298N256-C294 PolarHBondContact ND2-SG 2.63Å; V277-C294 HydrophobicContact CG1-CB 4.45Å; W290-C294 WeakPolarHBondContact O-CB 3.31Å; W290-C294 PolarHBondContact O-N 3.16Å; W290-C294 PolarHBondContact O-SG 3.01Å; E291-C294 PolarHBondContact O-N 3.41Å; V292-C294 VanDerWaalsContact C-N 3.32Å; V292-C294 PolarHBondContact O-N 2.83Å; C294-S297 PolarHBondContact O-OG 3.2Å; C294-K298 WeakPolarHBondContact O-CG 3.47Å
295H97.5Very high96.2Very high129 Ų12975 Ų7560%0.59739%0.387SS*.Hα-helixtrans-68.5-47.8175.2-179.674.1000110.6E291 V292 S297 K298E291-H295 WeakPolarHBondContact O-CB 3.27Å; E291-H295 PolarHBondContact O-N 2.81Å; V292-H295 PolarHBondContact O-N 3.44Å; H295-S297 VanDerWaalsContact C-N 3.29Å; H295-S297 PolarHBondContact O-N 3.23Å; H295-K298 WeakPolarHBondContact O-CB 3.23Å; H295-K298 WeakPolarHBondContact O-CG 3.45Å; H295-K298 PolarHBondContact O-N 2.98Å
296N96.5Very high95.9Very high101 Ų10173.3 Ų73.354%0.5438%0.379SS..Hα-helixtrans-64.9-32.6-178.5-68.1-12.2000112.5V292 V293 K298V292-N296 WeakPolarHBondContact O-CB 3.43Å; V292-N296 VanDerWaalsContact O-CG 3.26Å; V292-N296 PolarHBondContact O-N 2.78Å; V293-N296 PolarHBondContact O-N 3.33Å; N296-K298 PolarHBondContact O-N 2.81Å
297S97.2Very high95.6Very high2 Ų269.9 Ų69.91%0.01436%0.363CS..THydrogen-bonded Turntrans-76.44.3178.174.20000114.4G152 T258 V293 C294 H295G152-S297 VanDerWaalsContact O-CB 3.26Å; G152-S297 WeakPolarHBondContact O-CB 3.45Å; T258-S297 VanDerWaalsContact CB-OG 3.3Å; T258-S297 WeakPolarHBondContact CB-OG 3Å; T258-S297 WeakPolarHBondContact CG2-OG 3.35Å; T258-S297 PolarHBondContact OG1-O 3.46Å; T258-S297 PolarHBondContact OG1-OG 3.22Å; V293-S297 WeakPolarHBondContact O-CB 3.34Å; V293-S297 PolarHBondContact O-N 2.75Å; V293-S297 PolarHBondContact O-OG 3.2Å; C294-S297 PolarHBondContact O-OG 3.2Å; H295-S297 VanDerWaalsContact C-N 3.29Å; H295-S297 PolarHBondContact O-N 3.23Å
298K97.7Very high94.9Very high113 Ų11370.7 Ų70.749%0.49135%0.352SS..THydrogen-bonded Turntrans-81.3-28.4173.9-65.2-176.4177.9-175.10112.7H261 C294 H295 N296H261-K298 PolarHBondContact CE1-O 3.44Å; H261-K298 VanDerWaalsContact CE1-O 3.29Å; H261-K298 PolarHBondContact NE2-O 3.03Å; C294-K298 WeakPolarHBondContact O-CG 3.47Å; H295-K298 WeakPolarHBondContact O-CB 3.23Å; H295-K298 WeakPolarHBondContact O-CG 3.45Å; H295-K298 PolarHBondContact O-N 2.98Å; N296-K298 PolarHBondContact O-N 2.81Å
299A96.4Very high93.8Very high70 Ų7068.5 Ų68.558%0.57935%0.353SS*.SBendtrans-61.3145.4176.900000110.2Q275 S301Q275-A299 PolarHBondContact OE1-O 3.03Å; A299-S301 PolarHBondContact O-N 3.48Å
300M95.3Very high92.3Very high68 Ų6869.9 Ų69.934%0.33535%0.353SS..  trans-62.7114.8-178.4-171.1176.1-168.800110H261 Y263H261-M300 HydrophobicContact CB-CE 4.08Å; H261-M300 HydrophobicContact CB-CG 4.15Å; H261-M300 HydrophobicContact CB-SD 4.25Å; Y263-M300 HydrophobicContact CD1-CE 3.98Å; Y263-M300 HydrophobicContact CG-CE 4.25Å
301S94.5Very high90.4Very high6 Ų668.5 Ų68.54%0.04235%0.348CS..  trans-47.7131.4176-179.20000113S153 Q275 A299 L303S153-S301 WeakPolarHBondContact OG-CB 3.46Å; Q275-S301 VanDerWaalsContact NE2-N 3.19Å; Q275-S301 VanDerWaalsContact OE1-CB 3.26Å; A299-S301 PolarHBondContact O-N 3.48Å; S301-L303 PolarHBondContact O-N 2.96Å; S301-L303 VanDerWaalsContact OG-CG 3.27Å; S301-L303 WeakPolarHBondContact OG-CG 3Å; S301-L303 PolarHBondContact OG-N 3.16Å
302P93.9Very high88.2Confident110 Ų11066.5 Ų66.571%0.71434%0.344SS*.  trans-74.90.3178.933.2-38.2000113.4
303L92.8Very high85.8Confident25 Ų2567.6 Ų67.613%0.13135%0.348CS..SBendtrans-58.7149.7179.8-66.9175.2000111.5P145 D148 V155 R273 S301 R305P145-L303 HydrophobicContact CB-CB 3.86Å; P145-L303 HydrophobicContact CB-CD1 4.14Å; P145-L303 HydrophobicContact CB-CG 4.41Å; P145-L303 HydrophobicContact CG-CB 3.52Å; P145-L303 HydrophobicContact CG-CD1 3.97Å; P145-L303 HydrophobicContact CG-CG 4.33Å; D148-L303 HydrophobicContact CB-CD2 3.93Å; V155-L303 HydrophobicContact CG1-CD1 4.2Å; V155-L303 HydrophobicContact CG2-CD1 3.99Å; R273-L303 PolarHBondContact NH1-O 3.47Å; S301-L303 PolarHBondContact O-N 2.96Å; S301-L303 VanDerWaalsContact OG-CG 3.27Å; S301-L303 WeakPolarHBondContact OG-CG 3Å; S301-L303 PolarHBondContact OG-N 3.16Å; L303-R305 PolarHBondContact O-N 2.73Å
304E91.9Very high83Confident102 Ų10270.2 Ų70.248%0.47736%0.357SS..PPolyproline II helixtrans-58.2136.6-175.8-164.2-168.1-176.400112.6P145 R273 R310P145-E304 WeakPolarHBondContact CG-O 3.28Å; R273-E304 PolarHBondContact NH2-O 3.41Å; E304-R310 PolarHBondContact O-NH1 3.09Å; E304-R310 IonicContact OE2-CZ 3.17Å; E304-R310 IonicContact OE2-NE 3.5Å; E304-R310 IonicContact OE2-NH2 2.73Å; E304-R310 PolarHBondContact OE2-NH2 2.63Å
305R92.4Very high80Confident123 Ų12373 Ų7346%0.46438%0.381SS..PPolyproline II helixtrans-74.7156174.9-67.1-179.8-178-1801.1111.1Y263 L303 S307Y263-R305 HydrophobicContact CD2-CG 4.41Å; Y263-R305 HydrophobicContact CE2-CB 4.18Å; Y263-R305 HydrophobicContact CE2-CG 3.92Å; L303-R305 PolarHBondContact O-N 2.73Å; R305-S307 PolarHBondContact O-N 2.89Å
306P91.6Very high77.1Confident8 Ų871 Ų715%0.05239%0.387CS..PPolyproline II helixtrans-58.2135.5173.6-27.137.9000113H142 D157 Y263 F268 L271H142-P306 WeakPolarHBondContact CE1-CB 3.44Å; D157-P306 HydrophobicContact CB-CG 3.98Å; D157-P306 WeakPolarHBondContact OD2-CD 3.32Å; D157-P306 WeakPolarHBondContact OD2-CG 3.4Å; Y263-P306 WeakPolarHBondContact OH-CD 3.29Å; F268-P306 HydrophobicContact CD2-CB 3.8Å; F268-P306 HydrophobicContact CE2-CB 3.86Å; L271-P306 HydrophobicContact CD1-CB 4.31Å; L271-P306 HydrophobicContact CD1-CG 3.93Å
307S89.5Confident73.9Confident27 Ų2774 Ų7419%0.18940%0.398CS..  trans-145.6157.716970.30000109.4D267 R305 N309 R310D267-S307 WeakPolarHBondContact OD2-CA 3.43Å; R305-S307 PolarHBondContact O-N 2.89Å; S307-N309 VanDerWaalsContact C-N 3.26Å; S307-N309 PolarHBondContact O-N 2.93Å; S307-R310 VanDerWaalsContact O-CB 3.27Å; S307-R310 WeakPolarHBondContact O-CB 3.28Å; S307-R310 PolarHBondContact O-N 2.91Å; S307-R310 PolarHBondContact OG-N 3.11Å
308R83.3Confident70.9Confident111 Ų11181 Ų8142%0.41943%0.43SS..G310 helixtrans-64.8-31.8175.3-76.9-179.5-179.2116.32.8112.7E213 D267 F268 R310 Y311E213-R308 WeakPolarHBondContact OE1-CD 3.47Å; E213-R308 WeakPolarHBondContact OE1-CG 3.47Å; E213-R308 IonicContact OE1-CZ 3.74Å; E213-R308 IonicContact OE1-NE 3.4Å; E213-R308 PolarHBondContact OE1-NE 2.88Å; E213-R308 IonicContact OE1-NH2 2.73Å; D267-R308 HydrophobicContact CB-CG 4.01Å; D267-R308 PolarHBondContact O-NH2 3.36Å; D267-R308 VanDerWaalsContact O-NH2 3.1Å; D267-R308 WeakPolarHBondContact OD1-CD 3.47Å; D267-R308 IonicContact OD1-CZ 3.79Å; D267-R308 IonicContact OD1-NE 3.77Å; D267-R308 IonicContact OD1-NH1 2.78Å; D267-R308 PolarHBondContact OD1-NH1 2.96Å; D267-R308 PolarHBondContact OD2-N 2.8Å; F268-R308 HydrophobicContact CE1-CG 4.3Å; F268-R308 HydrophobicContact CZ-CG 3.86Å; R308-R310 PolarHBondContact O-N 2.84Å; R308-Y311 PolarHBondContact O-N 3.35Å
309N73.5Confident68Low137 Ų13780.4 Ų80.473%0.73343%0.429SS*.G310 helixtrans-65.9-26.6178-67.9-26.1000112.7S307 Y311 V312S307-N309 VanDerWaalsContact C-N 3.26Å; S307-N309 PolarHBondContact O-N 2.93Å; N309-Y311 VanDerWaalsContact C-N 3.28Å; N309-Y311 PolarHBondContact O-N 3.13Å; N309-V312 WeakPolarHBondContact O-CG2 2.98Å; N309-V312 PolarHBondContact O-N 3.15Å
310R67.5Low64.9Low55 Ų5583.1 Ų83.121%0.20843%0.431CS..G310 helixtrans-64.2-30-179.3-169.9-171.2178.2131.542.5113.8E304 S307 R308 V312E304-R310 PolarHBondContact O-NH1 3.09Å; E304-R310 IonicContact OE2-CZ 3.17Å; E304-R310 IonicContact OE2-NE 3.5Å; E304-R310 IonicContact OE2-NH2 2.73Å; E304-R310 PolarHBondContact OE2-NH2 2.63Å; S307-R310 VanDerWaalsContact O-CB 3.27Å; S307-R310 WeakPolarHBondContact O-CB 3.28Å; S307-R310 PolarHBondContact O-N 2.91Å; S307-R310 PolarHBondContact OG-N 3.11Å; R308-R310 PolarHBondContact O-N 2.84Å; R310-V312 PolarHBondContact O-N 2.89Å
311Y57.1Low61.6Low13 Ų1385.5 Ų85.55%0.05145%0.45CS..G310 helixtrans-73.7-5.3-175.3-64.6-55.6000113.8H142 Q214 S217 F268 R308 N309 L313H142-Y311 PolarHBondContact CE1-OH 2.84Å; H142-Y311 PolarHBondContact NE2-OH 2.81Å; Q214-Y311 HydrophobicContact CB-CD1 4.07Å; Q214-Y311 HydrophobicContact CB-CE1 3.61Å; Q214-Y311 HydrophobicContact CG-CD1 3.67Å; Q214-Y311 HydrophobicContact CG-CE1 3.48Å; Q214-Y311 VanDerWaalsContact CG-CE1 3.48Å; S217-Y311 VanDerWaalsContact CB-CB 3.45Å; S217-Y311 WeakPolarHBondContact OG-CB 3.3Å; F268-Y311 HydrophobicContact CE1-CE2 4.45Å; F268-Y311 AromaticContact CZ-CE2 3.78Å; F268-Y311 HydrophobicContact CZ-CE2 3.78Å; R308-Y311 PolarHBondContact O-N 3.35Å; N309-Y311 VanDerWaalsContact C-N 3.28Å; N309-Y311 PolarHBondContact O-N 3.13Å; Y311-L313 PolarHBondContact O-N 3.1Å
312V50.8Low58.5Low85 Ų8590.6 Ų90.652%0.51548%0.483SS..SBendtrans-63.2104.3163.5-174.70000106.9T221 N309 R310 Q314T221-V312 HydrophobicContact CG2-CB 4.15Å; T221-V312 HydrophobicContact CG2-CG1 4.15Å; T221-V312 HydrophobicContact CG2-CG2 4Å; N309-V312 WeakPolarHBondContact O-CG2 2.98Å; N309-V312 PolarHBondContact O-N 3.15Å; R310-V312 PolarHBondContact O-N 2.89Å; V312-Q314 PolarHBondContact O-N 3.21Å
313L48Very low55.6Low73 Ų7391.6 Ų91.638%0.38249%0.486SS..  trans-49.3101.2177.2-69.8168000109I218 M222 Y311 A315I218-L313 HydrophobicContact CG1-CD2 4.42Å; I218-L313 HydrophobicContact CG2-CD1 4.12Å; M222-L313 HydrophobicContact CE-CD1 4.13Å; M222-L313 HydrophobicContact CG-CD1 4.22Å; Y311-L313 PolarHBondContact O-N 3.1Å; L313-A315 PolarHBondContact O-N 3.11Å; L313-A315 VanDerWaalsContact O-N 3.12Å
314Q38.5Very low52.7Low106 Ų10696.9 Ų96.950%0.49552%0.515SS..  trans-54.3122.9164.8-80.1172.9-26.600106.4R242 V312R242-Q314 PolarHBondContact NH1-O 3.04Å; V312-Q314 PolarHBondContact O-N 3.21Å
315A34.8Very low49.6Very low70 Ų7099.6 Ų99.658%0.57953%0.533SS*.  trans-52.1154.5-177.100000110.7L313 E317L313-A315 PolarHBondContact O-N 3.11Å; L313-A315 VanDerWaalsContact O-N 3.12Å; A315-E317 PolarHBondContact O-N 3.4Å
316A36.6Very low46.6Very low87 Ų87102.5 Ų102.572%0.71955%0.554SS**G310 helixtrans-57.6-6-172.800000115.6E318 Q319A316-E318 PolarHBondContact O-N 3.5Å; A316-Q319 PolarHBondContact O-N 3.07Å
317E29.8Very low43.5Very low164 Ų164110.3 Ų110.377%0.76659%0.59SS**G310 helixtrans-70.4-22.7-170.6-70.6175.7171.800114.4A315 Q319 M320A315-E317 PolarHBondContact O-N 3.4Å; E317-Q319 PolarHBondContact O-N 3.12Å; E317-M320 PolarHBondContact O-N 3.32Å
318E32.9Very low40.7Very low147 Ų147115 Ų11569%0.68762%0.617SS**G310 helixtrans-77.2-2177.9-75.6-174.2-179.100114.6A316A316-E318 PolarHBondContact O-N 3.5Å
319Q36.9Very low38.3Very low102 Ų102119 Ų11948%0.47764%0.641SS.*G310 helixtrans-85-6.2174.1-65.9-159.50.600114.2A316 E317A316-Q319 PolarHBondContact O-N 3.07Å; E317-Q319 PolarHBondContact O-N 3.12Å
320M31.6Very low36.4Very low126 Ų126117.6 Ų117.662%0.62164%0.641SS**  trans-138.669.8-177.1-67.3176.480.500111.9V86 E317V86-M320 HydrophobicContact CG2-SD 4.4Å; E317-M320 PolarHBondContact O-N 3.32Å
321T26.6Very low34.8Very low119 Ų119121.9 Ų121.973%0.7367%0.673SS**  trans-118.1112.6146.941.20000107.6V323T321-V323 PolarHBondContact O-N 2.96Å
322P27.7Very low34.1Very low112 Ų112133.3 Ų133.373%0.72773%0.727SS**  trans-59.4136.2166.813.7-11.2000107.5N324P322-N324 PolarHBondContact O-N 3.19Å
323V33Very low33.2Very low131 Ų131135.8 Ų135.879%0.79474%0.738SS**SBendtrans-70.173.5170.7-176.80000107.1T321T321-V323 PolarHBondContact O-N 2.96Å
324N31.8Very low32.4Very low137 Ų137139.1 Ų139.173%0.73376%0.757SS**  trans-153.770.1169.3-100.9-6.1000106.9P322P322-N324 PolarHBondContact O-N 3.19Å
325N27.1Very low32.1Very low158 Ų158140.9 Ų140.985%0.84577%0.771SS**  trans-158.560154.8-95.2-10000107.6
326M29.1Very low31.9Very low184 Ų184145.1 Ų145.191%0.90678%0.782SS**  trans-137.858.2158.8-74.5-156.7-61.100108.7
327Q27.5Very low31.6Very low173 Ų173148.7 Ų148.781%0.80879%0.786SS**  trans-145.6119.3159.3-70.2-173.10.600101.9
328T30.1Very low31.8Very low124 Ų124147.7 Ų147.776%0.76179%0.788SS**  cis-161113.831.139.40000106.5S330T328-S330 PolarHBondContact O-N 2.76Å
329E33.8Very low31.7Very low197 Ų197147.7 Ų147.792%0.92180%0.795SS**  trans-86.7101.6152.6-80.8-172.8170.300106.2V331E329-V331 PolarHBondContact O-N 3.21Å
330S33.2Very low31.3Very low106 Ų106151.2 Ų151.274%0.74182%0.819SS**  trans-49.7112.4172.145.50000110.5T328 Q332T328-S330 PolarHBondContact O-N 2.76Å; S330-Q332 PolarHBondContact O-N 3.24Å
331V33Very low31.3Very low145 Ų145153.3 Ų153.388%0.87984%0.836SS**  trans-77.4103.8155.4-177.60000105.9E329E329-V331 PolarHBondContact O-N 3.21Å
332Q42.2Very low31.7Very low254 Ų254156.5 Ų156.5100%1.18785%0.846SS**  trans-85.80154.1-84.4-172.1-22.400109S330S330-Q332 PolarHBondContact O-N 3.24Å

Retrieved 332 of 332 residues in 182.4 ms (Link to these results)

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