A0A093HTN2_STRCA Loading...

Autophagy protein 5

Involved in autophagic vesicle formation. May play an important role in the apoptotic process, possibly within the modified cytoskeleton. Its expression is a relatively late event in the apoptotic process, occurring downstream of caspase activity. Plays a crucial role in IFN-gamma-induced autophagic cell death by interacting with FADD.

AlphaFold DB , UniProt , Accession A0A093HTN2, Species STRCA (Struthio camelus australis), Gene n/a, Length 275 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
1M52.8Low88.5Confident204 Ų20485.7 Ų85.7100%1.00544%0.441SS*.  0-49.30-82.5-158.1-122.300112.9D4M1-D4 PolarHBondContact N-OD2 2.95Å
2T64.4Low89.3Confident103 Ų10379 Ų7963%0.63241%0.406SS*.Hα-helixtrans-70.3-44.2167.235.30000111.4D4 K5 D6T2-D4 PolarHBondContact O-N 3.13Å; T2-K5 WeakPolarHBondContact O-CB 3.36Å; T2-K5 PolarHBondContact O-N 3.47Å; T2-K5 VanDerWaalsContact O-N 3.12Å; T2-D6 PolarHBondContact O-N 3.12Å; T2-D6 VanDerWaalsContact O-N 3.13Å
3D82.4Confident90.1Very high113 Ų11378.8 Ų78.860%0.60440%0.401SS*.Hα-helixtrans-67.7-39-170.3-48.7-0.5000112.2K5 D6 V7D3-K5 VanDerWaalsContact C-N 3.33Å; D3-K5 PolarHBondContact O-N 3.35Å; D3-D6 WeakPolarHBondContact O-CB 3.48Å; D3-D6 PolarHBondContact O-N 2.86Å; D3-V7 PolarHBondContact O-N 3.46Å
4D91.7Very high90.7Very high57 Ų5774.4 Ų74.431%0.30538%0.384SS..Hα-helixtrans-66.8-34.7175.3-53.8-64.7000112.3M1 T2 D6 V7 L8 W253M1-D4 PolarHBondContact N-OD2 2.95Å; T2-D4 PolarHBondContact O-N 3.13Å; D4-D6 VanDerWaalsContact C-N 3.28Å; D4-D6 PolarHBondContact O-N 3.16Å; D4-V7 PolarHBondContact O-N 3.4Å; D4-L8 WeakPolarHBondContact O-CG 3.33Å; D4-L8 PolarHBondContact O-N 3.11Å; D4-L8 VanDerWaalsContact O-N 3.15Å; D4-W253 PolarHBondContact OD1-NE1 3.49Å
5K93.1Very high91.2Very high91 Ų9174.3 Ų74.340%0.39638%0.377SS..Hα-helixtrans-67.2-34.4175.8-172.3177.8179.1-178.80110.6T2 D3 L8 R9 E163T2-K5 WeakPolarHBondContact O-CB 3.36Å; T2-K5 PolarHBondContact O-N 3.47Å; T2-K5 VanDerWaalsContact O-N 3.12Å; D3-K5 VanDerWaalsContact C-N 3.33Å; D3-K5 PolarHBondContact O-N 3.35Å; K5-L8 WeakPolarHBondContact O-CB 3.41Å; K5-L8 PolarHBondContact O-N 3.09Å; K5-R9 WeakPolarHBondContact O-CG 3.47Å; K5-R9 PolarHBondContact O-N 2.95Å; K5-R9 VanDerWaalsContact O-N 3.12Å; K5-E163 IonicContact NZ-OE1 2.71Å; K5-E163 PolarHBondContact NZ-OE1 2.8Å; K5-E163 IonicContact NZ-OE2 3.97Å
6D97.1Very high91.7Very high86 Ų8669.8 Ų69.846%0.4635%0.354SS..Hα-helixtrans-65.9-41.4176.1-65.7-28.8000110.9T2 D3 D4 L8 R9 D10T2-D6 PolarHBondContact O-N 3.12Å; T2-D6 VanDerWaalsContact O-N 3.13Å; D3-D6 WeakPolarHBondContact O-CB 3.48Å; D3-D6 PolarHBondContact O-N 2.86Å; D4-D6 VanDerWaalsContact C-N 3.28Å; D4-D6 PolarHBondContact O-N 3.16Å; D6-L8 VanDerWaalsContact C-N 3.35Å; D6-L8 PolarHBondContact O-N 2.78Å; D6-R9 WeakPolarHBondContact O-CB 3.28Å; D6-R9 PolarHBondContact O-N 3.27Å; D6-D10 PolarHBondContact O-N 3.42Å
7V98Very high92.1Very high41 Ų4168.5 Ų68.525%0.24835%0.351CS..Hα-helixtrans-56.2-46.8171.7176.60000111.7D3 D4 R9 D10 V11 W253 H257 M258D3-V7 PolarHBondContact O-N 3.46Å; D4-V7 PolarHBondContact O-N 3.4Å; V7-R9 PolarHBondContact O-N 2.9Å; V7-D10 PolarHBondContact O-N 2.81Å; V7-V11 HydrophobicContact CG1-CG2 4.44Å; V7-V11 WeakPolarHBondContact O-CG2 3.14Å; V7-V11 PolarHBondContact O-N 2.93Å; V7-W253 HydrophobicContact CG1-CH2 4.02Å; V7-W253 HydrophobicContact CG1-CZ2 4.33Å; V7-W253 HydrophobicContact CG2-CH2 4.4Å; V7-W253 HydrophobicContact CG2-CZ2 4.29Å; V7-H257 HydrophobicContact CG1-CB 4.16Å; V7-M258 HydrophobicContact CG1-SD 3.97Å
8L98.3Very high92.5Very high25 Ų2564.8 Ų64.813%0.13133%0.333CS..Hα-helixtrans-58.7-37.7177.2-66.1-179.4000112.5D4 K5 D6 W12 F162 W166 H257D4-L8 WeakPolarHBondContact O-CG 3.33Å; D4-L8 PolarHBondContact O-N 3.11Å; D4-L8 VanDerWaalsContact O-N 3.15Å; K5-L8 WeakPolarHBondContact O-CB 3.41Å; K5-L8 PolarHBondContact O-N 3.09Å; D6-L8 VanDerWaalsContact C-N 3.35Å; D6-L8 PolarHBondContact O-N 2.78Å; L8-W12 VanDerWaalsContact O-CB 3.28Å; L8-W12 WeakPolarHBondContact O-CB 3.23Å; L8-W12 PolarHBondContact O-N 2.75Å; L8-F162 HydrophobicContact CB-CE2 3.95Å; L8-F162 HydrophobicContact CB-CZ 4.06Å; L8-W166 HydrophobicContact CD1-CD2 4.29Å; L8-W166 HydrophobicContact CD1-CE3 4.28Å; L8-W166 HydrophobicContact CD1-CH2 4.11Å; L8-W166 HydrophobicContact CD1-CZ2 4.14Å; L8-W166 HydrophobicContact CD1-CZ3 4.18Å; L8-W166 HydrophobicContact CD2-CH2 3.62Å; L8-W166 HydrophobicContact CD2-CZ2 3.5Å; L8-W166 HydrophobicContact CD2-CZ3 4.46Å; L8-W166 HydrophobicContact CG-CH2 4.47Å; L8-W166 HydrophobicContact CG-CZ2 4.27Å; L8-H257 HydrophobicContact CD2-CB 4.19Å
9R98.3Very high92.8Very high86 Ų8661.8 Ų61.833%0.32532%0.318SS..Hα-helixtrans-72.1-42.4178.4-69.3-178.570.379.34.1111K5 D6 V7 W12 F13 F162 E163K5-R9 WeakPolarHBondContact O-CG 3.47Å; K5-R9 PolarHBondContact O-N 2.95Å; K5-R9 VanDerWaalsContact O-N 3.12Å; D6-R9 WeakPolarHBondContact O-CB 3.28Å; D6-R9 PolarHBondContact O-N 3.27Å; V7-R9 PolarHBondContact O-N 2.9Å; R9-W12 PolarHBondContact O-N 3.11Å; R9-F13 HydrophobicContact CB-CD2 4.23Å; R9-F13 HydrophobicContact CB-CE2 4.41Å; R9-F13 WeakPolarHBondContact O-CB 3.25Å; R9-F13 WeakPolarHBondContact O-CD2 3.37Å; R9-F13 PolarHBondContact O-N 3.3Å; R9-F162 HydrophobicContact CB-CE2 4.48Å; R9-F162 HydrophobicContact CG-CD1 4.29Å; R9-F162 HydrophobicContact CG-CD2 4.28Å; R9-F162 HydrophobicContact CG-CE1 3.8Å; R9-F162 HydrophobicContact CG-CE2 3.77Å; R9-F162 HydrophobicContact CG-CZ 3.52Å; R9-E163 IonicContact NH1-OE1 3.49Å
10D98.6Very high93.1Very high120 Ų12058.8 Ų58.864%0.64230%0.302SS*.Hα-helixtrans-62.9-43.6178.3-72-15.3000111.3D6 V7 W12 G14D6-D10 PolarHBondContact O-N 3.42Å; V7-D10 PolarHBondContact O-N 2.81Å; D10-W12 PolarHBondContact O-N 3.5Å; D10-G14 PolarHBondContact O-N 2.82Å
11V98.6Very high93.3Very high17 Ų1758.8 Ų58.810%0.10331%0.305CS..Hα-helixtrans-57.9-49.5171.8168.20000111V7 G14 I42 H241 M258V7-V11 HydrophobicContact CG1-CG2 4.44Å; V7-V11 WeakPolarHBondContact O-CG2 3.14Å; V7-V11 PolarHBondContact O-N 2.93Å; V11-G14 PolarHBondContact O-N 2.78Å; V11-I42 HydrophobicContact CG1-CG2 4.28Å; V11-I42 WeakPolarHBondContact O-CG2 3.36Å; V11-H241 WeakPolarHBondContact CG1-NE2 3.49Å; V11-M258 HydrophobicContact CG2-CE 4.29Å; V11-M258 HydrophobicContact CG2-SD 3.45Å; V11-M258 WeakPolarHBondContact CG2-SD 3.16Å
12W98.8Very high95.5Very high5 Ų549.7 Ų49.72%0.01926%0.261CS..Hα-helixtrans-63.5-44.7-177.9-176.7-79.6000113.1L8 R9 D10 G14 R15 I42 G156 D160 F162 F165 P261L8-W12 VanDerWaalsContact O-CB 3.28Å; L8-W12 WeakPolarHBondContact O-CB 3.23Å; L8-W12 PolarHBondContact O-N 2.75Å; R9-W12 PolarHBondContact O-N 3.11Å; D10-W12 PolarHBondContact O-N 3.5Å; W12-G14 VanDerWaalsContact C-N 3.33Å; W12-R15 PolarHBondContact O-NH1 2.85Å; W12-I42 HydrophobicContact CB-CD1 4.38Å; W12-I42 HydrophobicContact CD2-CD1 3.35Å; W12-I42 HydrophobicContact CE3-CD1 3.45Å; W12-I42 VanDerWaalsContact CE3-CD1 3.45Å; W12-I42 HydrophobicContact CG-CD1 3.79Å; W12-I42 HydrophobicContact CH2-CD1 4.06Å; W12-I42 HydrophobicContact CZ2-CD1 3.97Å; W12-I42 HydrophobicContact CZ3-CD1 3.8Å; W12-I42 WeakPolarHBondContact O-CD1 3.46Å; W12-G156 WeakPolarHBondContact CZ2-O 3.4Å; W12-D160 PolarHBondContact NE1-OD1 3.08Å; W12-F162 HydrophobicContact CB-CD2 3.72Å; W12-F162 HydrophobicContact CB-CE2 4.28Å; W12-F162 HydrophobicContact CD2-CB 4.21Å; W12-F162 AromaticContact CD2-CD2 3.92Å; W12-F162 HydrophobicContact CD2-CD2 3.92Å; W12-F162 HydrophobicContact CE3-CD2 4.32Å; W12-F162 HydrophobicContact CG-CB 4.14Å; W12-F162 AromaticContact CG-CD2 3.64Å; W12-F162 HydrophobicContact CG-CD2 3.64Å; W12-F162 HydrophobicContact CG-CG 4.38Å; W12-F165 HydrophobicContact CE3-CD1 4.11Å; W12-F165 HydrophobicContact CH2-CB 3.48Å; W12-F165 VanDerWaalsContact CH2-CB 3.48Å; W12-F165 AromaticContact CH2-CD1 3.94Å; W12-F165 HydrophobicContact CH2-CD1 3.94Å; W12-F165 HydrophobicContact CH2-CD2 4.11Å; W12-F165 AromaticContact CH2-CG 3.56Å; W12-F165 HydrophobicContact CH2-CG 3.56Å; W12-F165 HydrophobicContact CZ2-CB 4.35Å; W12-F165 HydrophobicContact CZ3-CB 3.75Å; W12-F165 AromaticContact CZ3-CD1 3.28Å; W12-F165 HydrophobicContact CZ3-CD1 3.28Å; W12-F165 HydrophobicContact CZ3-CD2 4.12Å; W12-F165 AromaticContact CZ3-CE1 3.87Å; W12-F165 HydrophobicContact CZ3-CE1 3.87Å; W12-F165 AromaticContact CZ3-CG 3.43Å; W12-F165 HydrophobicContact CZ3-CG 3.43Å; W12-F165 VanDerWaalsContact CZ3-CG 3.43Å; W12-P261 HydrophobicContact CE3-CG 4.41Å; W12-P261 HydrophobicContact CZ3-CB 4.41Å; W12-P261 HydrophobicContact CZ3-CG 3.97Å
13F98.8Very high97Very high77 Ų7749 Ų4934%0.33825%0.247SC..Hα-helixtrans-89.13.3-175.6-65.5-64.4000113.6R9 R15 F162R9-F13 HydrophobicContact CB-CD2 4.23Å; R9-F13 HydrophobicContact CB-CE2 4.41Å; R9-F13 WeakPolarHBondContact O-CB 3.25Å; R9-F13 WeakPolarHBondContact O-CD2 3.37Å; R9-F13 PolarHBondContact O-N 3.3Å; F13-R15 WeakPolarHBondContact O-CG 3.32Å; F13-R15 PolarHBondContact O-N 2.9Å; F13-R15 PolarHBondContact O-NH1 2.83Å; F13-R15 VanDerWaalsContact O-NH1 3.07Å; F13-F162 HydrophobicContact CE2-CB 4.09Å; F13-F162 HydrophobicContact CE2-CG 4.36Å; F13-F162 HydrophobicContact CZ-CB 3.79Å
14G98.7Very high97.5Very high17 Ų1752.3 Ų52.318%0.17526%0.259CS..  trans-52.7131172.400000112.6D10 V11 W12 R41D10-G14 PolarHBondContact O-N 2.82Å; V11-G14 PolarHBondContact O-N 2.78Å; W12-G14 VanDerWaalsContact C-N 3.33Å; G14-R41 PolarHBondContact O-N 3.31Å
15R98.7Very high97.4Very high73 Ų7355.1 Ų55.128%0.27527%0.274SS..EExtended strand (participates in β ladder)trans-125.3150.9-179.7-62.6-61.6172.1-97.25.4111.9W12 F13 L38 L39 D160W12-R15 PolarHBondContact O-NH1 2.85Å; F13-R15 WeakPolarHBondContact O-CG 3.32Å; F13-R15 PolarHBondContact O-N 2.9Å; F13-R15 PolarHBondContact O-NH1 2.83Å; F13-R15 VanDerWaalsContact O-NH1 3.07Å; R15-L38 HydrophobicContact CB-CB 4.2Å; R15-L38 HydrophobicContact CG-CB 4.3Å; R15-L39 CarbonylContact C-O 2.87Å; R15-L39 VanDerWaalsContact CA-O 3.23Å; R15-L39 WeakPolarHBondContact CA-O 3.36Å; R15-D160 IonicContact CZ-OD2 2.72Å; R15-D160 IonicContact NH2-OD1 2.64Å; R15-D160 PolarHBondContact NH2-OD1 2.92Å; R15-D160 IonicContact NH2-OD2 3.4Å; R15-D160 PolarHBondContact NH2-OD2 2.91Å
16I98.8Very high97.2Very high2 Ų251.3 Ų51.31%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-119118.7172-65.9155.4000108.6T18 L39 R41 I83 F87 W98I16-T18 PolarHBondContact O-N 3.29Å; I16-T18 PolarHBondContact O-OG1 2.87Å; I16-T18 VanDerWaalsContact O-OG1 3.06Å; I16-L39 PolarHBondContact N-O 3.06Å; I16-L39 PolarHBondContact O-N 3.45Å; I16-R41 HydrophobicContact CD1-CG 3.64Å; I16-R41 HydrophobicContact CG1-CG 3.83Å; I16-I83 HydrophobicContact CD1-CG2 3.93Å; I16-F87 HydrophobicContact CD1-CB 3.42Å; I16-F87 VanDerWaalsContact CD1-CB 3.42Å; I16-F87 HydrophobicContact CD1-CD1 3.88Å; I16-F87 HydrophobicContact CD1-CD2 4.47Å; I16-F87 HydrophobicContact CD1-CG 3.65Å; I16-F87 HydrophobicContact CG1-CB 4.39Å; I16-F87 HydrophobicContact CG1-CD1 4.07Å; I16-F87 HydrophobicContact CG1-CG 4.1Å; I16-F87 HydrophobicContact CG2-CD1 4.5Å; I16-F87 HydrophobicContact CG2-CD2 3.77Å; I16-F87 HydrophobicContact CG2-CE2 4.05Å; I16-F87 HydrophobicContact CG2-CG 4.02Å; I16-W98 HydrophobicContact CG2-CB 3.93Å; I16-W98 HydrophobicContact CG2-CE3 4.02Å
17P98.7Very high96.7Very high47 Ų4750.7 Ų50.731%0.30525%0.254SS..EExtended strand (participates in β ladder)trans-67.6121.7172.328.8-31.3000109.2L38 L96 P97 W98P17-L38 HydrophobicContact CB-CD2 3.97Å; P17-L96 HydrophobicContact CG-CB 4.25Å; P17-L96 HydrophobicContact CG-CD1 3.86Å; P17-L96 HydrophobicContact CG-CD2 4.05Å; P17-L96 HydrophobicContact CG-CG 4.28Å; P17-P97 HydrophobicContact CB-CB 4.28Å; P17-P97 CarbonylContact O-C 3.53Å; P17-P97 WeakPolarHBondContact O-CA 3.12Å; P17-P97 WeakPolarHBondContact O-CB 3.46Å; P17-W98 PolarHBondContact O-N 3.04Å
18T98.9Very high96.3Very high2 Ų251.1 Ų51.11%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-128.2134.4-171.6-50.10000109.9I16 F20 Y36 L37 L39 W98 I100I16-T18 PolarHBondContact O-N 3.29Å; I16-T18 PolarHBondContact O-OG1 2.87Å; I16-T18 VanDerWaalsContact O-OG1 3.06Å; T18-F20 HydrophobicContact CG2-CD2 4.03Å; T18-F20 HydrophobicContact CG2-CE1 4.36Å; T18-F20 HydrophobicContact CG2-CE2 3.6Å; T18-F20 HydrophobicContact CG2-CZ 3.81Å; T18-Y36 WeakPolarHBondContact O-CA 3.43Å; T18-L37 WeakPolarHBondContact CB-O 3.31Å; T18-L37 PolarHBondContact N-O 3.48Å; T18-L37 PolarHBondContact O-N 2.94Å; T18-L39 HydrophobicContact CG2-CD1 3.87Å; T18-L39 HydrophobicContact CG2-CG 4.42Å; T18-L39 VanDerWaalsContact OG1-CD1 3.31Å; T18-L39 WeakPolarHBondContact OG1-CD1 3.19Å; T18-L39 WeakPolarHBondContact OG1-CG 3.43Å; T18-W98 CarbonylContact C-O 3.47Å; T18-W98 VanDerWaalsContact CA-O 3.3Å; T18-W98 WeakPolarHBondContact CA-O 2.96Å; T18-W98 HydrophobicContact CG2-CB 4.37Å; T18-W98 HydrophobicContact CG2-CE3 4.25Å; T18-W98 VanDerWaalsContact CG2-O 3.29Å; T18-W98 WeakPolarHBondContact CG2-O 3.46Å; T18-I100 HydrophobicContact CG2-CB 4.31Å; T18-I100 HydrophobicContact CG2-CD1 3.54Å; T18-I100 HydrophobicContact CG2-CG1 3.79Å
19C98.7Very high96Very high9 Ų956.5 Ų56.56%0.06128%0.281CS..EExtended strand (participates in β ladder)trans-105.7118.4170.3-178.50000108.2Y36 P97 W98 I100C19-Y36 HydrophobicContact CB-CD1 3.92Å; C19-Y36 HydrophobicContact CB-CE1 3.61Å; C19-Y36 VanDerWaalsContact SG-CE1 3.58Å; C19-P97 HydrophobicContact CB-CB 4.3Å; C19-P97 HydrophobicContact CB-CG 3.87Å; C19-W98 PolarHBondContact N-O 3.4Å; C19-I100 PolarHBondContact O-N 3.26Å
20F98.8Very high95.6Very high0 Ų059.8 Ų59.80%029%0.293CS..EExtended strand (participates in β ladder)trans-96.5127.9172.8-67.2-89.4000109.7T18 P34 Y35 L37 L39 T49 V52 F56 F70 I100 V102T18-F20 HydrophobicContact CG2-CD2 4.03Å; T18-F20 HydrophobicContact CG2-CE1 4.36Å; T18-F20 HydrophobicContact CG2-CE2 3.6Å; T18-F20 HydrophobicContact CG2-CZ 3.81Å; F20-P34 CarbonylContact O-C 3.52Å; F20-P34 VanDerWaalsContact O-CA 3.28Å; F20-P34 WeakPolarHBondContact O-CA 3.24Å; F20-Y35 WeakPolarHBondContact CB-O 3.32Å; F20-Y35 WeakPolarHBondContact CD2-O 3.23Å; F20-Y35 PolarHBondContact N-O 2.92Å; F20-Y35 PolarHBondContact O-N 3.11Å; F20-L37 HydrophobicContact CE2-CB 4.14Å; F20-L37 HydrophobicContact CE2-CD2 4.5Å; F20-L39 HydrophobicContact CE2-CD1 4.37Å; F20-L39 HydrophobicContact CE2-CD2 4.17Å; F20-L39 HydrophobicContact CE2-CG 4.39Å; F20-L39 HydrophobicContact CZ-CD1 3.9Å; F20-L39 HydrophobicContact CZ-CD2 4.03Å; F20-L39 HydrophobicContact CZ-CG 4.32Å; F20-T49 HydrophobicContact CE1-CG2 4.18Å; F20-T49 HydrophobicContact CZ-CG2 3.79Å; F20-V52 HydrophobicContact CB-CG1 3.88Å; F20-V52 HydrophobicContact CD1-CG1 3.85Å; F20-V52 HydrophobicContact CD2-CG1 4.17Å; F20-V52 HydrophobicContact CD2-CG2 3.79Å; F20-V52 HydrophobicContact CE1-CG1 4.38Å; F20-V52 HydrophobicContact CE2-CG2 3.82Å; F20-V52 HydrophobicContact CG-CG1 3.7Å; F20-V52 HydrophobicContact CG-CG2 4.2Å; F20-V52 HydrophobicContact CZ-CG2 4.22Å; F20-F56 HydrophobicContact CB-CE2 3.93Å; F20-F56 HydrophobicContact CB-CZ 4.27Å; F20-F56 WeakPolarHBondContact O-CZ 3.29Å; F20-F70 HydrophobicContact CD1-CD1 4.12Å; F20-F70 HydrophobicContact CD1-CE1 4.03Å; F20-F70 AromaticContact CE1-CD1 3.84Å; F20-F70 HydrophobicContact CE1-CD1 3.84Å; F20-F70 AromaticContact CE1-CE1 3.73Å; F20-F70 HydrophobicContact CE1-CE1 3.73Å; F20-I100 CarbonylContact C-O 3.53Å; F20-I100 WeakPolarHBondContact CA-O 3.43Å; F20-I100 HydrophobicContact CD1-CB 3.88Å; F20-I100 HydrophobicContact CD1-CG2 3.78Å; F20-I100 HydrophobicContact CE1-CB 4.02Å; F20-I100 HydrophobicContact CE1-CD1 3.85Å; F20-I100 HydrophobicContact CE1-CG2 3.82Å; F20-I100 HydrophobicContact CZ-CD1 4.15Å; F20-V102 HydrophobicContact CB-CG2 3.92Å; F20-V102 HydrophobicContact CD1-CG2 3.71Å; F20-V102 HydrophobicContact CG-CG2 4.29Å
21T98.4Very high95.3Very high59 Ų5962.6 Ų62.636%0.36230%0.302SS..EExtended strand (participates in β ladder)trans-123.1135.4176.2-54.80000109.2I100 T101 V102T21-I100 PolarHBondContact N-O 3.05Å; T21-T101 CarbonylContact O-C 3.6Å; T21-T101 WeakPolarHBondContact O-CA 3.31Å; T21-V102 PolarHBondContact O-N 3.3Å
22L97.4Very high95.1Very high14 Ų1462.9 Ų62.97%0.07331%0.306CS..EExtended strand (participates in β ladder)trans-69.6138.7175.2-17065.3000110E26 T28 A32 F56 V59 V102 F104L22-E26 HydrophobicContact CD1-CB 4.31Å; L22-E26 HydrophobicContact CD1-CG 4.15Å; L22-E26 HydrophobicContact CD2-CB 4.12Å; L22-E26 HydrophobicContact CG-CB 4.01Å; L22-E26 HydrophobicContact CG-CG 4.25Å; L22-T28 HydrophobicContact CD2-CG2 3.33Å; L22-A32 HydrophobicContact CB-CB 3.93Å; L22-A32 HydrophobicContact CD2-CB 3.74Å; L22-F56 HydrophobicContact CB-CD1 3.78Å; L22-F56 HydrophobicContact CB-CE1 3.84Å; L22-F56 HydrophobicContact CB-CG 4.49Å; L22-F56 HydrophobicContact CD1-CB 4.17Å; L22-F56 HydrophobicContact CD1-CD1 4.25Å; L22-F56 HydrophobicContact CD1-CG 4.19Å; L22-F56 HydrophobicContact CD2-CD1 4.37Å; L22-F56 HydrophobicContact CG-CD1 4.37Å; L22-V59 HydrophobicContact CD2-CG2 4.34Å; L22-V102 HydrophobicContact CD1-CB 4.43Å; L22-V102 HydrophobicContact CD1-CG1 4.39Å; L22-F104 HydrophobicContact CD1-CD2 3.98Å; L22-F104 HydrophobicContact CD1-CE2 3.86Å
23Y96.8Very high95.1Very high89 Ų8969.6 Ų69.635%0.34934%0.338SS..  trans-58.5139.2176.7-177-114000111.5D25 E26 T101 V102 H103Y23-D25 VanDerWaalsContact C-N 3.31Å; Y23-D25 HydrophobicContact CD1-CB 4.04Å; Y23-D25 HydrophobicContact CE1-CB 3.54Å; Y23-D25 VanDerWaalsContact CE1-OD2 3.24Å; Y23-D25 WeakPolarHBondContact CE1-OD2 3.48Å; Y23-D25 VanDerWaalsContact CZ-OD2 3.3Å; Y23-D25 PolarHBondContact O-N 3.15Å; Y23-D25 PolarHBondContact OH-OD2 3.14Å; Y23-E26 HydrophobicContact CD1-CG 4.41Å; Y23-E26 WeakPolarHBondContact O-CB 3.3Å; Y23-E26 PolarHBondContact O-N 3.49Å; Y23-E26 VanDerWaalsContact O-N 3.11Å; Y23-T101 HydrophobicContact CD2-CG2 3.9Å; Y23-T101 HydrophobicContact CG-CG2 4.32Å; Y23-V102 WeakPolarHBondContact CB-O 3.3Å; Y23-V102 PolarHBondContact N-O 2.51Å; Y23-H103 WeakPolarHBondContact CB-ND1 3.35Å; Y23-H103 AromaticContact CD1-CE1 3.99Å; Y23-H103 AromaticContact CD1-ND1 3.81Å; Y23-H103 AromaticContact CD2-CE1 3.3Å; Y23-H103 WeakPolarHBondContact CD2-CE1 3.35Å; Y23-H103 AromaticContact CD2-ND1 3.93Å; Y23-H103 AromaticContact CE2-CE1 3.96Å; Y23-H103 AromaticContact CG-CE1 3.34Å; Y23-H103 AromaticContact CG-ND1 3.46Å
24Q91.6Very high95Very high181 Ų18168.8 Ų68.885%0.84634%0.341SS*.THydrogen-bonded Turntrans-66.3-30.1-167.3-65.6178.8-0.600113.7E26Q24-E26 VanDerWaalsContact C-N 3.31Å
25D90.4Very high95Very high116 Ų11670.7 Ų70.762%0.6234%0.343SS*.THydrogen-bonded Turntrans-88.95.3179.1-49.7-41.3000113Y23Y23-D25 VanDerWaalsContact C-N 3.31Å; Y23-D25 HydrophobicContact CD1-CB 4.04Å; Y23-D25 HydrophobicContact CE1-CB 3.54Å; Y23-D25 VanDerWaalsContact CE1-OD2 3.24Å; Y23-D25 WeakPolarHBondContact CE1-OD2 3.48Å; Y23-D25 VanDerWaalsContact CZ-OD2 3.3Å; Y23-D25 PolarHBondContact O-N 3.15Å; Y23-D25 PolarHBondContact OH-OD2 3.14Å
26E89.1Confident95Very high12 Ų1274.5 Ų74.56%0.05636%0.358CS..SBendtrans-69.8132172.4-71.4-71.7-175.400110.5L22 Y23 Q24 T28 F104 K105L22-E26 HydrophobicContact CD1-CB 4.31Å; L22-E26 HydrophobicContact CD1-CG 4.15Å; L22-E26 HydrophobicContact CD2-CB 4.12Å; L22-E26 HydrophobicContact CG-CB 4.01Å; L22-E26 HydrophobicContact CG-CG 4.25Å; Y23-E26 HydrophobicContact CD1-CG 4.41Å; Y23-E26 WeakPolarHBondContact O-CB 3.3Å; Y23-E26 PolarHBondContact O-N 3.49Å; Y23-E26 VanDerWaalsContact O-N 3.11Å; Q24-E26 VanDerWaalsContact C-N 3.31Å; E26-T28 PolarHBondContact O-N 3.1Å; E26-T28 VanDerWaalsContact O-N 3.16Å; E26-F104 PolarHBondContact OE1-N 3.18Å; E26-K105 PolarHBondContact OE1-N 3.36Å; E26-K105 WeakPolarHBondContact OE2-CG 3.39Å
27I86.5Confident95Very high73 Ų7376.7 Ų76.737%0.37437%0.369SS..  trans-79.9106.5-176.6-54.6175.9000109.5
28T90.3Very high95Very high49 Ų4979.7 Ų79.730%0.30138%0.382SS..BIsolated β-bridgetrans-111.1149.3179.658.40000113L22 E26 R30 V59L22-T28 HydrophobicContact CD2-CG2 3.33Å; E26-T28 PolarHBondContact O-N 3.1Å; E26-T28 VanDerWaalsContact O-N 3.16Å; T28-R30 VanDerWaalsContact C-N 3.28Å; T28-R30 VanDerWaalsContact CB-O 3.23Å; T28-R30 WeakPolarHBondContact CB-O 3.29Å; T28-R30 PolarHBondContact OG1-O 3.43Å; T28-R30 VanDerWaalsContact OG1-O 3.13Å; T28-V59 CarbonylContact C-O 3.54Å; T28-V59 VanDerWaalsContact CA-O 3.25Å; T28-V59 WeakPolarHBondContact CA-O 3.47Å; T28-V59 WeakPolarHBondContact CB-O 3.3Å; T28-V59 HydrophobicContact CG2-CG2 4.05Å
29E90.4Very high95Very high138 Ų13879.6 Ų79.665%0.64538%0.382SS*.SBendtrans-71.8-23.9172-61.8-176.7168.600112.7V59 R61E29-V59 PolarHBondContact N-O 3.01Å; E29-R61 HydrophobicContact CG-CG 3.79Å
30R91.5Very high95Very high156 Ų15680.1 Ų80.159%0.58939%0.385SS*.SBendtrans-157.6164.3179.458.7179.8169.5154.32.6110.3T28 A32 V59T28-R30 VanDerWaalsContact C-N 3.28Å; T28-R30 VanDerWaalsContact CB-O 3.23Å; T28-R30 WeakPolarHBondContact CB-O 3.29Å; T28-R30 PolarHBondContact OG1-O 3.43Å; T28-R30 VanDerWaalsContact OG1-O 3.13Å; R30-A32 PolarHBondContact O-N 2.96Å; R30-V59 HydrophobicContact CG-CB 4.09Å; R30-V59 HydrophobicContact CG-CG1 3.77Å
31E91.9Very high95Very high179 Ų17981.7 Ų81.784%0.83639%0.391SS*.  trans-55.3135.3176.9-169.5175.6177.200112
32A94.9Very high95Very high22 Ų2279.1 Ų79.118%0.18238%0.375CS..  trans-96.4112.2-17900000110.3L22 R30 F56 V59L22-A32 HydrophobicContact CB-CB 3.93Å; L22-A32 HydrophobicContact CD2-CB 3.74Å; R30-A32 PolarHBondContact O-N 2.96Å; A32-F56 HydrophobicContact CB-CD1 4.06Å; A32-F56 HydrophobicContact CB-CE1 4.15Å; A32-V59 HydrophobicContact CB-CG2 3.82Å
33E97.1Very high95.1Very high146 Ų14678.7 Ų78.768%0.68237%0.373SS*.  trans-67.2141.5174.6-65.8178.7165.300111.1H55E33-H55 PolarHBondContact O-NE2 2.79Å
34P98.1Very high95.2Very high61 Ų6174.6 Ų74.640%0.39636%0.357SS..  trans-58.6147.3172.8-23.633.3000112.6F20 Y36F20-P34 CarbonylContact O-C 3.52Å; F20-P34 VanDerWaalsContact O-CA 3.28Å; F20-P34 WeakPolarHBondContact O-CA 3.24Å; P34-Y36 HydrophobicContact CB-CE2 4.11Å
35Y98.6Very high95.5Very high56 Ų5666 Ų6622%0.2232%0.317CS..EExtended strand (participates in β ladder)trans-113.4120.2179.6-165.3-83000111F20 L37 K51 V52 H55F20-Y35 WeakPolarHBondContact CB-O 3.32Å; F20-Y35 WeakPolarHBondContact CD2-O 3.23Å; F20-Y35 PolarHBondContact N-O 2.92Å; F20-Y35 PolarHBondContact O-N 3.11Å; Y35-L37 HydrophobicContact CD1-CB 4.35Å; Y35-L37 HydrophobicContact CE1-CB 4.22Å; Y35-K51 HydrophobicContact CE1-CB 4.44Å; Y35-K51 WeakPolarHBondContact OH-CB 3.47Å; Y35-V52 HydrophobicContact CD1-CG2 3.75Å; Y35-V52 HydrophobicContact CE1-CG2 4.06Å; Y35-H55 HydrophobicContact CD2-CB 3.66Å; Y35-H55 AromaticContact CD2-CD2 3.77Å; Y35-H55 AromaticContact CD2-CG 3.45Å; Y35-H55 VanDerWaalsContact CD2-CG 3.45Å; Y35-H55 AromaticContact CD2-ND1 3.73Å; Y35-H55 HydrophobicContact CE2-CB 4.03Å; Y35-H55 HydrophobicContact CG-CB 4.44Å
36Y98.7Very high95.9Very high154 Ų15461.6 Ų61.660%0.60429%0.294SS*.EExtended strand (participates in β ladder)trans-97.8133.6180-64.9-92.9000111.6T18 C19 P34 P97T18-Y36 WeakPolarHBondContact O-CA 3.43Å; C19-Y36 HydrophobicContact CB-CD1 3.92Å; C19-Y36 HydrophobicContact CB-CE1 3.61Å; C19-Y36 VanDerWaalsContact SG-CE1 3.58Å; P34-Y36 HydrophobicContact CB-CE2 4.11Å; Y36-P97 HydrophobicContact CE1-CG 4.14Å
37L98.6Very high96.3Very high47 Ų4761.4 Ų61.425%0.24629%0.294CS..EExtended strand (participates in β ladder)trans-148.1142-179.5-171.960.8000111.5T18 F20 Y35 L39 V52T18-L37 WeakPolarHBondContact CB-O 3.31Å; T18-L37 PolarHBondContact N-O 3.48Å; T18-L37 PolarHBondContact O-N 2.94Å; F20-L37 HydrophobicContact CE2-CB 4.14Å; F20-L37 HydrophobicContact CE2-CD2 4.5Å; Y35-L37 HydrophobicContact CD1-CB 4.35Å; Y35-L37 HydrophobicContact CE1-CB 4.22Å; L37-L39 HydrophobicContact CD2-CD2 3.74Å; L37-L39 HydrophobicContact CG-CD2 4.15Å; L37-L39 PolarHBondContact O-N 3.12Å; L37-V52 HydrophobicContact CD2-CG2 4.05Å
38L98.8Very high96.9Very high110 Ų11059.9 Ų59.958%0.57629%0.288SS*.EExtended strand (participates in β ladder)trans-84.9103167.3-68.2178.8000108.9R15 P17R15-L38 HydrophobicContact CB-CB 4.2Å; R15-L38 HydrophobicContact CG-CB 4.3Å; P17-L38 HydrophobicContact CB-CD2 3.97Å
39L98.8Very high97.3Very high0 Ų057.7 Ų57.70%027%0.274CS..EExtended strand (participates in β ladder)trans-80.9134-179.6-66.6-177.7000111.7R15 I16 T18 F20 L37 R41 L45 V48 T49 I83 W98 I100R15-L39 CarbonylContact C-O 2.87Å; R15-L39 VanDerWaalsContact CA-O 3.23Å; R15-L39 WeakPolarHBondContact CA-O 3.36Å; I16-L39 PolarHBondContact N-O 3.06Å; I16-L39 PolarHBondContact O-N 3.45Å; T18-L39 HydrophobicContact CG2-CD1 3.87Å; T18-L39 HydrophobicContact CG2-CG 4.42Å; T18-L39 VanDerWaalsContact OG1-CD1 3.31Å; T18-L39 WeakPolarHBondContact OG1-CD1 3.19Å; T18-L39 WeakPolarHBondContact OG1-CG 3.43Å; F20-L39 HydrophobicContact CE2-CD1 4.37Å; F20-L39 HydrophobicContact CE2-CD2 4.17Å; F20-L39 HydrophobicContact CE2-CG 4.39Å; F20-L39 HydrophobicContact CZ-CD1 3.9Å; F20-L39 HydrophobicContact CZ-CD2 4.03Å; F20-L39 HydrophobicContact CZ-CG 4.32Å; L37-L39 HydrophobicContact CD2-CD2 3.74Å; L37-L39 HydrophobicContact CG-CD2 4.15Å; L37-L39 PolarHBondContact O-N 3.12Å; L39-R41 PolarHBondContact O-N 3.07Å; L39-L45 HydrophobicContact CD1-CD2 3.83Å; L39-V48 HydrophobicContact CD2-CG2 3.85Å; L39-T49 HydrophobicContact CD2-CG2 4.33Å; L39-I83 HydrophobicContact CB-CD1 4.35Å; L39-I83 HydrophobicContact CB-CG2 3.89Å; L39-I83 HydrophobicContact CD1-CG2 4.03Å; L39-W98 HydrophobicContact CD1-CE3 4.31Å; L39-W98 HydrophobicContact CD1-CZ3 4.13Å; L39-I100 HydrophobicContact CD1-CD1 4.34Å
40P98.8Very high97.6Very high20 Ų2054.4 Ų54.413%0.1326%0.261CS..EExtended strand (participates in β ladder)trans-70122172.227.6-32.5000111.5I42 S43 V48 I83P40-I42 PolarHBondContact O-N 2.98Å; P40-S43 PolarHBondContact O-N 3.46Å; P40-V48 HydrophobicContact CG-CB 4.34Å; P40-V48 HydrophobicContact CG-CG1 3.78Å; P40-V48 HydrophobicContact CG-CG2 4.37Å; P40-I83 WeakPolarHBondContact O-CD1 3.4Å
41R98.8Very high97.8Very high34 Ų3453.7 Ų53.713%0.12826%0.262CS..THydrogen-bonded Turntrans-53.5-40.5179.5-79.4-179.6166.9-86.71112.4G14 I16 L39 S43 I83 G84 D88 Y260G14-R41 PolarHBondContact O-N 3.31Å; I16-R41 HydrophobicContact CD1-CG 3.64Å; I16-R41 HydrophobicContact CG1-CG 3.83Å; L39-R41 PolarHBondContact O-N 3.07Å; R41-S43 VanDerWaalsContact C-N 3.3Å; R41-S43 PolarHBondContact O-N 2.94Å; R41-I83 PolarHBondContact O-N 3.08Å; R41-G84 PolarHBondContact O-N 3.35Å; R41-D88 IonicContact CZ-OD1 3.88Å; R41-D88 IonicContact NH1-OD1 3.94Å; R41-D88 PolarHBondContact NH1-OD1 2.92Å; R41-D88 IonicContact NH1-OD2 3.79Å; R41-D88 PolarHBondContact NH1-OD2 3.41Å; R41-D88 IonicContact NH2-OD1 3Å; R41-Y260 WeakPolarHBondContact O-CE1 3.28Å
42I98.8Very high98.1Very high5 Ų545.2 Ų45.23%0.02622%0.223CC..THydrogen-bonded Turntrans-79.1-3.6-172.559.2156.1000115.4V11 W12 P40 L157 P261V11-I42 HydrophobicContact CG1-CG2 4.28Å; V11-I42 WeakPolarHBondContact O-CG2 3.36Å; W12-I42 HydrophobicContact CB-CD1 4.38Å; W12-I42 HydrophobicContact CD2-CD1 3.35Å; W12-I42 HydrophobicContact CE3-CD1 3.45Å; W12-I42 VanDerWaalsContact CE3-CD1 3.45Å; W12-I42 HydrophobicContact CG-CD1 3.79Å; W12-I42 HydrophobicContact CH2-CD1 4.06Å; W12-I42 HydrophobicContact CZ2-CD1 3.97Å; W12-I42 HydrophobicContact CZ3-CD1 3.8Å; W12-I42 WeakPolarHBondContact O-CD1 3.46Å; P40-I42 PolarHBondContact O-N 2.98Å; I42-L157 HydrophobicContact CD1-CD1 4.36Å; I42-P261 HydrophobicContact CB-CG 3.76Å; I42-P261 HydrophobicContact CD1-CG 3.88Å; I42-P261 HydrophobicContact CG1-CG 4.35Å; I42-P261 HydrophobicContact CG2-CG 4.36Å
43S98.8Very high98.2Very high5 Ų547.7 Ų47.74%0.03523%0.229CC..SBendtrans-108.8-173.3-174.3-153.40000112.2P40 R41 V48 P82 I83P40-S43 PolarHBondContact O-N 3.46Å; R41-S43 VanDerWaalsContact C-N 3.3Å; R41-S43 PolarHBondContact O-N 2.94Å; S43-V48 WeakPolarHBondContact OG-CG1 3.16Å; S43-P82 CarbonylContact O-C 3.55Å; S43-P82 WeakPolarHBondContact O-CA 3.37Å; S43-I83 VanDerWaalsContact O-CG1 3.32Å; S43-I83 WeakPolarHBondContact O-CG1 3.42Å; S43-I83 PolarHBondContact O-N 2.74Å
44Y98.8Very high98.1Very high3 Ų347.3 Ų47.31%0.01223%0.225CC..  trans-112.3143.5-178.5-56.5-74.5000110.8T46 L47 V48 W79 H80 P82 I121 F125 L157Y44-T46 VanDerWaalsContact C-N 3.35Å; Y44-T46 PolarHBondContact O-N 3.23Å; Y44-L47 HydrophobicContact CD2-CD2 4.49Å; Y44-L47 WeakPolarHBondContact O-CB 3.45Å; Y44-L47 PolarHBondContact O-N 3.32Å; Y44-V48 PolarHBondContact O-N 3.08Å; Y44-W79 WeakPolarHBondContact CB-O 3.5Å; Y44-W79 WeakPolarHBondContact CD1-O 3.43Å; Y44-H80 WeakPolarHBondContact CE1-O 3.15Å; Y44-P82 HydrophobicContact CE1-CG 4.28Å; Y44-I121 HydrophobicContact CD2-CG2 3.64Å; Y44-I121 HydrophobicContact CE2-CG2 4.27Å; Y44-I121 HydrophobicContact CG-CG2 4.19Å; Y44-F125 HydrophobicContact CE2-CB 4.33Å; Y44-F125 HydrophobicContact CE2-CD2 4.24Å; Y44-L157 HydrophobicContact CD2-CD2 4.46Å; Y44-L157 HydrophobicContact CE2-CD2 4Å
45L98.5Very high98.1Very high0 Ų046.4 Ų46.40%022%0.216CC..Hα-helixtrans-53-50.6-176.2-77.6170.9000111.9L39 L47 V48 T49 F70 L77 I83 L86 I100L39-L45 HydrophobicContact CD1-CD2 3.83Å; L45-L47 PolarHBondContact O-N 2.85Å; L45-V48 PolarHBondContact O-N 3.23Å; L45-T49 WeakPolarHBondContact O-CB 3.46Å; L45-T49 WeakPolarHBondContact O-CG2 3.48Å; L45-T49 PolarHBondContact O-N 2.88Å; L45-T49 PolarHBondContact O-OG1 2.73Å; L45-F70 HydrophobicContact CB-CD2 4.02Å; L45-F70 HydrophobicContact CB-CE2 4.08Å; L45-F70 HydrophobicContact CD1-CB 4.25Å; L45-F70 HydrophobicContact CD1-CD2 4.06Å; L45-F70 HydrophobicContact CD1-CG 4.36Å; L45-L77 HydrophobicContact CD1-CB 3.79Å; L45-L77 HydrophobicContact CD1-CD1 4Å; L45-I83 HydrophobicContact CD2-CD1 4.41Å; L45-I83 HydrophobicContact CD2-CG1 3.97Å; L45-I83 HydrophobicContact CG-CG1 3.95Å; L45-L86 HydrophobicContact CD1-CD1 3.75Å; L45-L86 HydrophobicContact CG-CD1 4.3Å; L45-I100 HydrophobicContact CD2-CD1 4.17Å
46T97.9Very high98Very high23 Ų2343.8 Ų43.814%0.14121%0.206CC..Hα-helixtrans-68.9-12.5-177.949.60000113.9Y44 W79 C115 I121Y44-T46 VanDerWaalsContact C-N 3.35Å; Y44-T46 PolarHBondContact O-N 3.23Å; T46-W79 HydrophobicContact CG2-CB 3.64Å; T46-W79 HydrophobicContact CG2-CG 4.13Å; T46-C115 HydrophobicContact CG2-CB 4.04Å; T46-C115 PolarHBondContact OG1-SG 3.34Å; T46-C115 VanDerWaalsContact OG1-SG 3.33Å; T46-I121 WeakPolarHBondContact OG1-CD1 3.12Å
47L98.4Very high97.8Very high8 Ų839.6 Ų39.64%0.04219%0.191CC..Hα-helixtrans-84.9-32.8176.8-171.953.8000112.7Y44 L45 K118 I121 W154 L157 Q158Y44-L47 HydrophobicContact CD2-CD2 4.49Å; Y44-L47 WeakPolarHBondContact O-CB 3.45Å; Y44-L47 PolarHBondContact O-N 3.32Å; L45-L47 PolarHBondContact O-N 2.85Å; L47-K118 HydrophobicContact CD1-CD 4.07Å; L47-K118 HydrophobicContact CD1-CG 4.37Å; L47-I121 HydrophobicContact CB-CD1 4.03Å; L47-I121 HydrophobicContact CB-CG2 4.49Å; L47-I121 HydrophobicContact CD1-CD1 4.29Å; L47-I121 HydrophobicContact CD2-CG2 4.41Å; L47-W154 HydrophobicContact CD1-CH2 3.65Å; L47-W154 HydrophobicContact CD1-CZ2 4.13Å; L47-W154 HydrophobicContact CD2-CH2 3.74Å; L47-W154 HydrophobicContact CD2-CZ3 3.86Å; L47-W154 HydrophobicContact CG-CH2 4.36Å; L47-L157 HydrophobicContact CD2-CG 4.44Å; L47-Q158 HydrophobicContact CD1-CG 4.14Å
48V98.4Very high97.6Very high41 Ų4144.1 Ų44.125%0.24821%0.209CC..Hα-helixtrans-113.9-1.5-166.8-57.40000114.5L39 P40 S43 Y44 L45 I83L39-V48 HydrophobicContact CD2-CG2 3.85Å; P40-V48 HydrophobicContact CG-CB 4.34Å; P40-V48 HydrophobicContact CG-CG1 3.78Å; P40-V48 HydrophobicContact CG-CG2 4.37Å; S43-V48 WeakPolarHBondContact OG-CG1 3.16Å; Y44-V48 PolarHBondContact O-N 3.08Å; L45-V48 PolarHBondContact O-N 3.23Å; V48-I83 HydrophobicContact CG2-CD1 3.59Å
49T98Very high97.3Very high4 Ų439.4 Ų39.43%0.02519%0.185CC..  trans-101.917.3-17552.70000114F20 L39 L45 K51 V52 K53 F70F20-T49 HydrophobicContact CE1-CG2 4.18Å; F20-T49 HydrophobicContact CZ-CG2 3.79Å; L39-T49 HydrophobicContact CD2-CG2 4.33Å; L45-T49 WeakPolarHBondContact O-CB 3.46Å; L45-T49 WeakPolarHBondContact O-CG2 3.48Å; L45-T49 PolarHBondContact O-N 2.88Å; L45-T49 PolarHBondContact O-OG1 2.73Å; T49-K51 PolarHBondContact O-N 2.84Å; T49-K51 VanDerWaalsContact O-N 3.12Å; T49-V52 HydrophobicContact CG2-CG2 4.18Å; T49-V52 WeakPolarHBondContact O-CA 3.32Å; T49-V52 WeakPolarHBondContact O-CB 3.19Å; T49-V52 PolarHBondContact O-N 2.96Å; T49-K53 PolarHBondContact O-N 2.72Å; T49-F70 HydrophobicContact CG2-CE1 4.44Å; T49-F70 HydrophobicContact CG2-CZ 3.95Å; T49-F70 WeakPolarHBondContact OG1-CZ 3.39Å
50D96.6Very high96.8Very high68 Ų6839.8 Ų39.836%0.36419%0.187SC..Hα-helixtrans-51.9-38.3176.8-78.9-21.1000112.7K54 K118D50-K54 WeakPolarHBondContact O-CB 3.44Å; D50-K54 VanDerWaalsContact O-CG 3.29Å; D50-K54 WeakPolarHBondContact O-CG 3.22Å; D50-K54 PolarHBondContact O-N 3.43Å; D50-K118 IonicContact OD2-NZ 3.46Å; D50-K118 PolarHBondContact OD2-NZ 3Å
51K97.7Very high96.2Very high142 Ų14244 Ų4462%0.61720%0.2SC*.Hα-helixtrans-71.8-37177.8-68.5-176.1179.4177.30112.6Y35 T49 K54 H55Y35-K51 HydrophobicContact CE1-CB 4.44Å; Y35-K51 WeakPolarHBondContact OH-CB 3.47Å; T49-K51 PolarHBondContact O-N 2.84Å; T49-K51 VanDerWaalsContact O-N 3.12Å; K51-K54 PolarHBondContact O-N 3.33Å; K51-H55 WeakPolarHBondContact O-CB 3.28Å; K51-H55 PolarHBondContact O-N 3.26Å
52V98Very high95.4Very high0 Ų051 Ų510%023%0.234CC..Hα-helixtrans-64.5-48.8176-177.40000109.5F20 Y35 L37 T49 K54 H55 F56 V102F20-V52 HydrophobicContact CB-CG1 3.88Å; F20-V52 HydrophobicContact CD1-CG1 3.85Å; F20-V52 HydrophobicContact CD2-CG1 4.17Å; F20-V52 HydrophobicContact CD2-CG2 3.79Å; F20-V52 HydrophobicContact CE1-CG1 4.38Å; F20-V52 HydrophobicContact CE2-CG2 3.82Å; F20-V52 HydrophobicContact CG-CG1 3.7Å; F20-V52 HydrophobicContact CG-CG2 4.2Å; F20-V52 HydrophobicContact CZ-CG2 4.22Å; Y35-V52 HydrophobicContact CD1-CG2 3.75Å; Y35-V52 HydrophobicContact CE1-CG2 4.06Å; L37-V52 HydrophobicContact CD2-CG2 4.05Å; T49-V52 HydrophobicContact CG2-CG2 4.18Å; T49-V52 WeakPolarHBondContact O-CA 3.32Å; T49-V52 WeakPolarHBondContact O-CB 3.19Å; T49-V52 PolarHBondContact O-N 2.96Å; V52-K54 PolarHBondContact O-N 2.95Å; V52-H55 WeakPolarHBondContact O-CB 3.47Å; V52-H55 PolarHBondContact O-N 3.16Å; V52-H55 VanDerWaalsContact O-N 3.1Å; V52-F56 HydrophobicContact CG1-CD2 3.8Å; V52-F56 HydrophobicContact CG1-CE2 3.6Å; V52-F56 WeakPolarHBondContact O-CD2 3.49Å; V52-F56 PolarHBondContact O-N 3.46Å; V52-F56 VanDerWaalsContact O-N 3.14Å; V52-V102 HydrophobicContact CG1-CG2 4.15Å
53K95.9Very high94.6Very high74 Ų7459.6 Ų59.632%0.32227%0.274SS..Hα-helixtrans-55.2-51.4174.9-176.9176.4-177.4170.40111.4T49 H55 F56 Q57 I68 F104T49-K53 PolarHBondContact O-N 2.72Å; K53-H55 VanDerWaalsContact C-N 3.26Å; K53-H55 PolarHBondContact O-N 3.4Å; K53-F56 PolarHBondContact O-N 2.95Å; K53-Q57 HydrophobicContact CG-CG 4.3Å; K53-Q57 VanDerWaalsContact O-CB 3.32Å; K53-Q57 WeakPolarHBondContact O-CB 3.48Å; K53-Q57 WeakPolarHBondContact O-CG 3.29Å; K53-Q57 PolarHBondContact O-N 3.37Å; K53-I68 HydrophobicContact CB-CD1 3.95Å; K53-I68 HydrophobicContact CD-CG2 4.08Å; K53-I68 HydrophobicContact CG-CD1 4.28Å; K53-I68 HydrophobicContact CG-CG2 4.45Å; K53-F104 HydrophobicContact CG-CE1 4.5Å
54K96.2Very high93.6Very high138 Ų13861.2 Ų61.260%0.628%0.281SS*.Hα-helixtrans-62.8-29.2177.8-75.9176.1-178.71780113.7D50 K51 V52 K58D50-K54 WeakPolarHBondContact O-CB 3.44Å; D50-K54 VanDerWaalsContact O-CG 3.29Å; D50-K54 WeakPolarHBondContact O-CG 3.22Å; D50-K54 PolarHBondContact O-N 3.43Å; K51-K54 PolarHBondContact O-N 3.33Å; V52-K54 PolarHBondContact O-N 2.95Å; K54-K58 WeakPolarHBondContact O-CG 3.45Å
55H97.3Very high92.7Very high43 Ų4363.1 Ų63.120%0.19929%0.293CS..Hα-helixtrans-68.7-55.3177.9176.677000110.7E33 Y35 K51 V52 K53 K58E33-H55 PolarHBondContact O-NE2 2.79Å; Y35-H55 HydrophobicContact CD2-CB 3.66Å; Y35-H55 AromaticContact CD2-CD2 3.77Å; Y35-H55 AromaticContact CD2-CG 3.45Å; Y35-H55 VanDerWaalsContact CD2-CG 3.45Å; Y35-H55 AromaticContact CD2-ND1 3.73Å; Y35-H55 HydrophobicContact CE2-CB 4.03Å; Y35-H55 HydrophobicContact CG-CB 4.44Å; K51-H55 WeakPolarHBondContact O-CB 3.28Å; K51-H55 PolarHBondContact O-N 3.26Å; V52-H55 WeakPolarHBondContact O-CB 3.47Å; V52-H55 PolarHBondContact O-N 3.16Å; V52-H55 VanDerWaalsContact O-N 3.1Å; K53-H55 VanDerWaalsContact C-N 3.26Å; K53-H55 PolarHBondContact O-N 3.4Å; H55-K58 WeakPolarHBondContact O-CB 3.15Å; H55-K58 PolarHBondContact O-N 2.96Å
56F96.6Very high92.3Very high1 Ų166.8 Ų66.80%0.00432%0.316CS..Hα-helixtrans-72.1-30.6-177.8-65.8-60.2000113.6F20 L22 A32 V52 K53 K58 V59 M60 V102 F104F20-F56 HydrophobicContact CB-CE2 3.93Å; F20-F56 HydrophobicContact CB-CZ 4.27Å; F20-F56 WeakPolarHBondContact O-CZ 3.29Å; L22-F56 HydrophobicContact CB-CD1 3.78Å; L22-F56 HydrophobicContact CB-CE1 3.84Å; L22-F56 HydrophobicContact CB-CG 4.49Å; L22-F56 HydrophobicContact CD1-CB 4.17Å; L22-F56 HydrophobicContact CD1-CD1 4.25Å; L22-F56 HydrophobicContact CD1-CG 4.19Å; L22-F56 HydrophobicContact CD2-CD1 4.37Å; L22-F56 HydrophobicContact CG-CD1 4.37Å; A32-F56 HydrophobicContact CB-CD1 4.06Å; A32-F56 HydrophobicContact CB-CE1 4.15Å; V52-F56 HydrophobicContact CG1-CD2 3.8Å; V52-F56 HydrophobicContact CG1-CE2 3.6Å; V52-F56 WeakPolarHBondContact O-CD2 3.49Å; V52-F56 PolarHBondContact O-N 3.46Å; V52-F56 VanDerWaalsContact O-N 3.14Å; K53-F56 PolarHBondContact O-N 2.95Å; F56-K58 PolarHBondContact O-N 2.95Å; F56-K58 VanDerWaalsContact O-N 3.11Å; F56-V59 WeakPolarHBondContact O-CG2 3.39Å; F56-V59 PolarHBondContact O-N 2.64Å; F56-V59 VanDerWaalsContact O-N 3.15Å; F56-M60 WeakPolarHBondContact O-CG 3.48Å; F56-M60 PolarHBondContact O-N 3.49Å; F56-V102 HydrophobicContact CD2-CB 4.19Å; F56-V102 HydrophobicContact CD2-CG1 4.03Å; F56-V102 HydrophobicContact CD2-CG2 4.06Å; F56-V102 HydrophobicContact CE2-CB 4.22Å; F56-V102 HydrophobicContact CE2-CG2 3.72Å; F56-F104 HydrophobicContact CB-CE2 3.81Å; F56-F104 HydrophobicContact CB-CZ 4.05Å
57Q94Very high92Very high65 Ų6567.6 Ų67.630%0.30432%0.318SS..THydrogen-bonded Turntrans-60.6-21.8173.5-77.1179.7-27.500113.9K53 V59 V65 F104K53-Q57 HydrophobicContact CG-CG 4.3Å; K53-Q57 VanDerWaalsContact O-CB 3.32Å; K53-Q57 WeakPolarHBondContact O-CB 3.48Å; K53-Q57 WeakPolarHBondContact O-CG 3.29Å; K53-Q57 PolarHBondContact O-N 3.37Å; Q57-V59 VanDerWaalsContact C-N 3.27Å; Q57-V59 PolarHBondContact O-N 3.42Å; Q57-V65 HydrophobicContact CG-CG1 3.85Å; Q57-V65 HydrophobicContact CG-CG2 4.4Å; Q57-F104 HydrophobicContact CG-CE1 3.99Å; Q57-F104 HydrophobicContact CG-CZ 4.14Å
58K93.8Very high91.9Very high142 Ų14267.9 Ų67.962%0.61732%0.319SS*.THydrogen-bonded Turntrans-74.4-14.3178.5-71.1167.9-177.4-178.80114.3K54 H55 F56K54-K58 WeakPolarHBondContact O-CG 3.45Å; H55-K58 WeakPolarHBondContact O-CB 3.15Å; H55-K58 PolarHBondContact O-N 2.96Å; F56-K58 PolarHBondContact O-N 2.95Å; F56-K58 VanDerWaalsContact O-N 3.11Å
59V92.8Very high91.9Very high11 Ų1166.8 Ų66.87%0.06731%0.311CS..THydrogen-bonded Turntrans-111.1-4.6-179.9-59.20000111.8L22 T28 E29 R30 A32 F56 Q57L22-V59 HydrophobicContact CD2-CG2 4.34Å; T28-V59 CarbonylContact C-O 3.54Å; T28-V59 VanDerWaalsContact CA-O 3.25Å; T28-V59 WeakPolarHBondContact CA-O 3.47Å; T28-V59 WeakPolarHBondContact CB-O 3.3Å; T28-V59 HydrophobicContact CG2-CG2 4.05Å; E29-V59 PolarHBondContact N-O 3.01Å; R30-V59 HydrophobicContact CG-CB 4.09Å; R30-V59 HydrophobicContact CG-CG1 3.77Å; A32-V59 HydrophobicContact CB-CG2 3.82Å; F56-V59 WeakPolarHBondContact O-CG2 3.39Å; F56-V59 PolarHBondContact O-N 2.64Å; F56-V59 VanDerWaalsContact O-N 3.15Å; Q57-V59 VanDerWaalsContact C-N 3.27Å; Q57-V59 PolarHBondContact O-N 3.42Å
60M89.8Confident91.9Very high9 Ų966.7 Ų66.74%0.04431%0.31CS..BIsolated β-bridgetrans-97.9149.4178.3-66.7-174.480.700111.5F56 E64 V65 F104F56-M60 WeakPolarHBondContact O-CG 3.48Å; F56-M60 PolarHBondContact O-N 3.49Å; M60-E64 HydrophobicContact CE-CB 4.26Å; M60-V65 HydrophobicContact CB-CG2 3.87Å; M60-V65 HydrophobicContact SD-CG2 4.33Å; M60-F104 HydrophobicContact CE-CB 3.67Å; M60-F104 HydrophobicContact CE-CD2 3.76Å; M60-F104 HydrophobicContact CE-CG 3.78Å; M60-F104 HydrophobicContact SD-CB 4.16Å; M60-F104 HydrophobicContact SD-CD1 4.15Å; M60-F104 HydrophobicContact SD-CD2 3.16Å; M60-F104 WeakPolarHBondContact SD-CD2 3.45Å; M60-F104 HydrophobicContact SD-CE1 4.37Å; M60-F104 HydrophobicContact SD-CE2 3.43Å; M60-F104 WeakPolarHBondContact SD-CE2 3.36Å; M60-F104 HydrophobicContact SD-CG 3.55Å; M60-F104 VanDerWaalsContact SD-CG 3.55Å; M60-F104 HydrophobicContact SD-CZ 4.04Å
61R85.8Confident92Very high108 Ų10865.1 Ų65.141%0.40830%0.301SS..  trans-71.1137.8169.4-62.2-175.6-66-1726.7109.5E29 E63 E64E29-R61 HydrophobicContact CG-CG 3.79Å; R61-E63 PolarHBondContact O-N 3.2Å; R61-E63 VanDerWaalsContact O-N 3.12Å; R61-E64 HydrophobicContact CB-CG 4Å; R61-E64 IonicContact CZ-OE1 3.84Å; R61-E64 IonicContact NE-OE1 3.1Å; R61-E64 IonicContact NH2-OE1 2.92Å; R61-E64 PolarHBondContact NH2-OE1 3.24Å; R61-E64 WeakPolarHBondContact O-CB 3.4Å; R61-E64 PolarHBondContact O-N 3.14Å
62Q80.6Confident92Very high181 Ų18158.9 Ų58.985%0.84627%0.273SS*.G310 helixtrans-55.5-34.2-174.5-75.2-174.5-11.800114.3E64 V65Q62-E64 PolarHBondContact O-N 3.36Å; Q62-V65 PolarHBondContact O-N 3.32Å
63E82.9Confident91.8Very high185 Ų18565.9 Ų65.986%0.86431%0.306SS*.G310 helixtrans-67.6-21179.8-62.5173.6-175.100113.3R61R61-E63 PolarHBondContact O-N 3.2Å; R61-E63 VanDerWaalsContact O-N 3.12Å
64E78Confident91.7Very high39 Ų3964.9 Ų64.918%0.18232%0.317CS..G310 helixtrans-95.8-7.8-176.4-53.4-76.4-158.300112.1M60 R61 Q62 T66 K105M60-E64 HydrophobicContact CE-CB 4.26Å; R61-E64 HydrophobicContact CB-CG 4Å; R61-E64 IonicContact CZ-OE1 3.84Å; R61-E64 IonicContact NE-OE1 3.1Å; R61-E64 IonicContact NH2-OE1 2.92Å; R61-E64 PolarHBondContact NH2-OE1 3.24Å; R61-E64 WeakPolarHBondContact O-CB 3.4Å; R61-E64 PolarHBondContact O-N 3.14Å; Q62-E64 PolarHBondContact O-N 3.36Å; E64-T66 PolarHBondContact O-N 2.96Å; E64-T66 VanDerWaalsContact O-N 3.14Å; E64-K105 IonicContact OE1-NZ 3.51Å; E64-K105 PolarHBondContact OE1-NZ 3.46Å; E64-K105 WeakPolarHBondContact OE2-CE 3.49Å; E64-K105 IonicContact OE2-NZ 3.59Å; E64-K105 PolarHBondContact OE2-NZ 2.83Å
65V79.9Confident91.6Very high44 Ų4461 Ų6127%0.26730%0.304SS..  trans-83.894.6-175.9179.80000109.7Q57 M60 Q62 F104Q57-V65 HydrophobicContact CG-CG1 3.85Å; Q57-V65 HydrophobicContact CG-CG2 4.4Å; M60-V65 HydrophobicContact CB-CG2 3.87Å; M60-V65 HydrophobicContact SD-CG2 4.33Å; Q62-V65 PolarHBondContact O-N 3.32Å; V65-F104 HydrophobicContact CG1-CD1 4.31Å; V65-F104 HydrophobicContact CG1-CE1 4.42Å
66T89.3Confident91.6Very high76 Ų7660 Ų6047%0.46630%0.301SS..  trans-99.3-162.417138.40000111.3E64 I68 F104E64-T66 PolarHBondContact O-N 2.96Å; E64-T66 VanDerWaalsContact O-N 3.14Å; T66-I68 PolarHBondContact O-N 3.12Å; T66-F104 WeakPolarHBondContact CB-O 3.37Å; T66-F104 VanDerWaalsContact OG1-C 3.25Å; T66-F104 PolarHBondContact OG1-O 2.79Å
67E93.3Very high91.7Very high40 Ų4060.1 Ų60.119%0.18730%0.302CS..  trans-64.2130.9177.4-176.6171.4-171.900111.2F104 F107 H114 C115 H116E67-F104 VanDerWaalsContact O-O 3.11Å; E67-F107 HydrophobicContact CB-CD2 4.44Å; E67-F107 HydrophobicContact CG-CD2 4.35Å; E67-F107 HydrophobicContact CG-CE2 4.15Å; E67-H114 IonicContact OE2-CE1 2.74Å; E67-H114 IonicContact OE2-CG 2.79Å; E67-H114 IonicContact OE2-ND1 2.69Å; E67-H114 PolarHBondContact OE2-ND1 3.34Å; E67-C115 WeakPolarHBondContact OE1-CA 3.45Å; E67-C115 PolarHBondContact OE1-N 3.28Å; E67-H116 IonicContact OE2-CD2 3.72Å; E67-H116 IonicContact OE2-NE2 3.03Å
68I95.8Very high91.9Very high14 Ų1460.4 Ų60.47%0.07230%0.302CS..  trans-74.5133.8176.7-171.6173000109.8K53 T66 F70 V102 H103 F104K53-I68 HydrophobicContact CB-CD1 3.95Å; K53-I68 HydrophobicContact CD-CG2 4.08Å; K53-I68 HydrophobicContact CG-CD1 4.28Å; K53-I68 HydrophobicContact CG-CG2 4.45Å; T66-I68 PolarHBondContact O-N 3.12Å; I68-F70 HydrophobicContact CD1-CE1 3.87Å; I68-F70 HydrophobicContact CD1-CZ 3.73Å; I68-F70 HydrophobicContact CG1-CE1 4.17Å; I68-F70 HydrophobicContact CG1-CZ 4Å; I68-V102 HydrophobicContact CD1-CG1 3.65Å; I68-V102 HydrophobicContact CG1-CG1 3.78Å; I68-H103 WeakPolarHBondContact CA-O 3.21Å; I68-F104 HydrophobicContact CB-CD1 4.19Å; I68-F104 HydrophobicContact CB-CE1 3.88Å; I68-F104 HydrophobicContact CB-CZ 4.42Å; I68-F104 HydrophobicContact CD1-CE1 4.27Å; I68-F104 HydrophobicContact CD1-CZ 3.98Å; I68-F104 HydrophobicContact CG1-CE1 4.13Å; I68-F104 HydrophobicContact CG1-CZ 4.16Å
69W98Very high92.1Very high18 Ų1854.3 Ų54.37%0.06828%0.276CS..EExtended strand (participates in β ladder)trans-136.8164.6169.666.4-83.2000110.8E71 P76 H103 K105 F107 P108 L112W69-E71 HydrophobicContact CZ3-CB 3.8Å; W69-E71 HydrophobicContact CZ3-CG 4.21Å; W69-P76 HydrophobicContact CE3-CB 4.45Å; W69-P76 HydrophobicContact CZ3-CB 4.3Å; W69-P76 HydrophobicContact CZ3-CG 4.29Å; W69-H103 HydrophobicContact CD2-CB 3.66Å; W69-H103 AromaticContact CE2-CG 3.58Å; W69-H103 HydrophobicContact CE3-CB 4.33Å; W69-H103 HydrophobicContact CG-CB 4.03Å; W69-H103 HydrophobicContact CH2-CB 4.12Å; W69-H103 AromaticContact CH2-CD2 3.63Å; W69-H103 AromaticContact CH2-CE1 3.73Å; W69-H103 AromaticContact CH2-CG 3.57Å; W69-H103 AromaticContact CH2-ND1 3.64Å; W69-H103 AromaticContact CH2-NE2 3.78Å; W69-H103 HydrophobicContact CZ2-CB 3.42Å; W69-H103 VanDerWaalsContact CZ2-CB 3.42Å; W69-H103 AromaticContact CZ2-CD2 3.86Å; W69-H103 AromaticContact CZ2-CG 3.32Å; W69-H103 AromaticContact CZ2-ND1 3.45Å; W69-H103 WeakPolarHBondContact CZ2-ND1 3.36Å; W69-H103 AromaticContact CZ3-CD2 3.75Å; W69-H103 PolarHBondContact N-O 3.08Å; W69-H103 PolarHBondContact O-N 3.37Å; W69-K105 PolarHBondContact NE1-O 3.06Å; W69-F107 HydrophobicContact CB-CD2 3.96Å; W69-F107 HydrophobicContact CB-CE2 3.9Å; W69-F107 AromaticContact CD1-CD2 3.77Å; W69-F107 HydrophobicContact CG-CD2 4Å; W69-F107 HydrophobicContact CG-CE2 4.42Å; W69-P108 HydrophobicContact CD2-CG 4.2Å; W69-P108 HydrophobicContact CE3-CG 4.03Å; W69-P108 HydrophobicContact CZ3-CG 4.19Å; W69-L112 HydrophobicContact CB-CD1 3.86Å; W69-L112 HydrophobicContact CD2-CD1 4.43Å; W69-L112 HydrophobicContact CE3-CD1 4.11Å; W69-L112 HydrophobicContact CG-CD1 4.39Å
70F98.5Very high92.4Very high3 Ų355.3 Ų55.31%0.01328%0.279CS..EExtended strand (participates in β ladder)trans-126.4145.2-169.6-56.4-76.5000110.4F20 L45 T49 I68 L77 I100 T101 V102F20-F70 HydrophobicContact CD1-CD1 4.12Å; F20-F70 HydrophobicContact CD1-CE1 4.03Å; F20-F70 AromaticContact CE1-CD1 3.84Å; F20-F70 HydrophobicContact CE1-CD1 3.84Å; F20-F70 AromaticContact CE1-CE1 3.73Å; F20-F70 HydrophobicContact CE1-CE1 3.73Å; L45-F70 HydrophobicContact CB-CD2 4.02Å; L45-F70 HydrophobicContact CB-CE2 4.08Å; L45-F70 HydrophobicContact CD1-CB 4.25Å; L45-F70 HydrophobicContact CD1-CD2 4.06Å; L45-F70 HydrophobicContact CD1-CG 4.36Å; T49-F70 HydrophobicContact CG2-CE1 4.44Å; T49-F70 HydrophobicContact CG2-CZ 3.95Å; T49-F70 WeakPolarHBondContact OG1-CZ 3.39Å; I68-F70 HydrophobicContact CD1-CE1 3.87Å; I68-F70 HydrophobicContact CD1-CZ 3.73Å; I68-F70 HydrophobicContact CG1-CE1 4.17Å; I68-F70 HydrophobicContact CG1-CZ 4Å; F70-L77 HydrophobicContact CB-CB 4.2Å; F70-L77 HydrophobicContact CB-CD1 4.04Å; F70-L77 PolarHBondContact O-N 3.07Å; F70-I100 HydrophobicContact CB-CG2 3.77Å; F70-I100 HydrophobicContact CD1-CG2 3.81Å; F70-I100 HydrophobicContact CG-CG2 4.19Å; F70-T101 WeakPolarHBondContact CA-O 3.26Å; F70-V102 HydrophobicContact CD1-CG2 4.04Å; F70-V102 HydrophobicContact CE1-CG1 4.49Å; F70-V102 HydrophobicContact CE1-CG2 4.01Å
71E97.6Very high92.8Very high35 Ų3555.9 Ų55.916%0.16428%0.281CS..EExtended strand (participates in β ladder)trans-132.1148.4179.8-164.5-165.696.500110.3W69 G74 T75 T101 H103W69-E71 HydrophobicContact CZ3-CB 3.8Å; W69-E71 HydrophobicContact CZ3-CG 4.21Å; E71-G74 WeakPolarHBondContact OE1-CA 3.45Å; E71-G74 PolarHBondContact OE1-N 2.83Å; E71-T75 WeakPolarHBondContact CA-O 3.48Å; E71-T75 WeakPolarHBondContact CG-O 2.87Å; E71-T101 PolarHBondContact N-O 2.86Å; E71-T101 PolarHBondContact O-N 2.81Å; E71-H103 WeakPolarHBondContact CB-NE2 3.2Å; E71-H103 IonicContact OE2-CE1 3.78Å; E71-H103 IonicContact OE2-NE2 3.64Å
72Y97.3Very high93.4Very high10 Ų1050.8 Ų50.84%0.03926%0.262CS..EExtended strand (participates in β ladder)trans-127.8119164.8177.9-97.3000109.1G74 T75 H90 A91 T94 W98 S99Y72-G74 VanDerWaalsContact C-N 3.33Å; Y72-G74 PolarHBondContact O-N 3.49Å; Y72-T75 PolarHBondContact N-O 2.93Å; Y72-T75 WeakPolarHBondContact O-CA 3.43Å; Y72-T75 VanDerWaalsContact O-CB 3.28Å; Y72-T75 WeakPolarHBondContact O-CB 3.19Å; Y72-T75 PolarHBondContact O-N 3.01Å; Y72-H90 HydrophobicContact CD1-CB 3.96Å; Y72-H90 HydrophobicContact CE1-CB 4.33Å; Y72-H90 VanDerWaalsContact CE1-O 3.22Å; Y72-H90 WeakPolarHBondContact CE1-O 3.38Å; Y72-A91 HydrophobicContact CD2-CB 4.4Å; Y72-A91 HydrophobicContact CE1-CB 3.97Å; Y72-A91 HydrophobicContact CE2-CB 3.8Å; Y72-T94 WeakPolarHBondContact OH-CG2 3.43Å; Y72-T94 PolarHBondContact OH-OG1 3.22Å; Y72-T94 VanDerWaalsContact OH-OG1 3.09Å; Y72-W98 AromaticContact CD2-CD1 3.5Å; Y72-W98 AromaticContact CD2-NE1 3.05Å; Y72-W98 AromaticContact CE2-CD1 3.52Å; Y72-W98 AromaticContact CE2-NE1 3.49Å; Y72-W98 AromaticContact CG-NE1 3.61Å; Y72-S99 VanDerWaalsContact CD2-O 3.29Å; Y72-S99 WeakPolarHBondContact CD2-O 3.33Å
73E94.8Very high94.3Very high148 Ų14842.2 Ų42.269%0.69222%0.222SC*.THydrogen-bonded Turntrans4650.3177.2-63.9-175.4160.400113.8T75E73-T75 VanDerWaalsContact C-N 3.25Å; E73-T75 PolarHBondContact O-N 3.22Å
74G93.8Very high95Very high53 Ų5333.4 Ų33.455%0.54618%0.181SC..THydrogen-bonded Turntrans80.3-2.7-179.100000115.1E71 Y72 P76E71-G74 WeakPolarHBondContact OE1-CA 3.45Å; E71-G74 PolarHBondContact OE1-N 2.83Å; Y72-G74 VanDerWaalsContact C-N 3.33Å; Y72-G74 PolarHBondContact O-N 3.49Å; G74-P76 WeakPolarHBondContact O-CD 3.43Å
75T95Very high96Very high55 Ų5531.6 Ų31.634%0.33717%0.173SC..EExtended strand (participates in β ladder)trans-101.2115.2179.7-56.90000111.2E71 Y72 E73 L77E71-T75 WeakPolarHBondContact CA-O 3.48Å; E71-T75 WeakPolarHBondContact CG-O 2.87Å; Y72-T75 PolarHBondContact N-O 2.93Å; Y72-T75 WeakPolarHBondContact O-CA 3.43Å; Y72-T75 VanDerWaalsContact O-CB 3.28Å; Y72-T75 WeakPolarHBondContact O-CB 3.19Å; Y72-T75 PolarHBondContact O-N 3.01Å; E73-T75 VanDerWaalsContact C-N 3.25Å; E73-T75 PolarHBondContact O-N 3.22Å; T75-L77 PolarHBondContact O-N 3.26Å
76P97.3Very high96.9Very high22 Ų2229.5 Ų29.514%0.14316%0.16CC..EExtended strand (participates in β ladder)trans-60.7126.3172.2-25.135.1000112.3W69 G74 K78 P108 D111 L112W69-P76 HydrophobicContact CE3-CB 4.45Å; W69-P76 HydrophobicContact CZ3-CB 4.3Å; W69-P76 HydrophobicContact CZ3-CG 4.29Å; G74-P76 WeakPolarHBondContact O-CD 3.43Å; P76-K78 PolarHBondContact O-N 3.47Å; P76-P108 HydrophobicContact CB-CG 3.82Å; P76-P108 HydrophobicContact CG-CB 4.1Å; P76-P108 HydrophobicContact CG-CG 3.86Å; P76-D111 HydrophobicContact CB-CB 4.24Å; P76-D111 HydrophobicContact CG-CB 4.16Å; P76-L112 HydrophobicContact CB-CD1 3.87Å; P76-L112 HydrophobicContact CB-CD2 3.89Å; P76-L112 HydrophobicContact CB-CG 3.74Å
77L97.7Very high97.3Very high4 Ų426.6 Ų26.62%0.02114%0.141CC..  trans-84.9113.9-176.4-63.8178.5000111.1L45 F70 T75 W79 L86 W98 I100 L112L45-L77 HydrophobicContact CD1-CB 3.79Å; L45-L77 HydrophobicContact CD1-CD1 4Å; F70-L77 HydrophobicContact CB-CB 4.2Å; F70-L77 HydrophobicContact CB-CD1 4.04Å; F70-L77 PolarHBondContact O-N 3.07Å; T75-L77 PolarHBondContact O-N 3.26Å; L77-W79 PolarHBondContact O-N 2.71Å; L77-L86 HydrophobicContact CB-CD1 4.35Å; L77-L86 HydrophobicContact CD2-CD2 4.38Å; L77-W98 HydrophobicContact CD1-CH2 3.94Å; L77-W98 HydrophobicContact CD1-CZ2 3.63Å; L77-W98 HydrophobicContact CD2-CZ2 4.1Å; L77-I100 HydrophobicContact CD1-CD1 4.01Å; L77-I100 HydrophobicContact CD1-CG1 4.15Å; L77-I100 HydrophobicContact CD1-CG2 4.19Å; L77-L112 WeakPolarHBondContact O-CD2 3.46Å
78K97.9Very high97.5Very high71 Ų7124.8 Ų24.831%0.30913%0.132SC..  trans-66.3104.3-179.5-64.9179.9-179.470.30110.6P76 H80 Y81 L112P76-K78 PolarHBondContact O-N 3.47Å; K78-H80 PolarHBondContact O-N 3.37Å; K78-Y81 HydrophobicContact CB-CD1 4.34Å; K78-Y81 HydrophobicContact CB-CG 4.25Å; K78-Y81 HydrophobicContact CD-CE1 4.39Å; K78-Y81 HydrophobicContact CD-CE2 4.39Å; K78-Y81 WeakPolarHBondContact O-CB 3.46Å; K78-Y81 PolarHBondContact O-N 3.26Å; K78-L112 HydrophobicContact CB-CD2 4.46Å; K78-L112 HydrophobicContact CG-CD2 4.07Å
79W98.3Very high97.5Very high14 Ų1425 Ų255%0.05313%0.134CC..THydrogen-bonded Turntrans-56.7-28.5-175.669-98.8000114.4Y44 T46 L77 Y81 L113 C115 V120 I121 H124Y44-W79 WeakPolarHBondContact CB-O 3.5Å; Y44-W79 WeakPolarHBondContact CD1-O 3.43Å; T46-W79 HydrophobicContact CG2-CB 3.64Å; T46-W79 HydrophobicContact CG2-CG 4.13Å; L77-W79 PolarHBondContact O-N 2.71Å; W79-Y81 PolarHBondContact O-N 2.91Å; W79-L113 PolarHBondContact NE1-O 3.15Å; W79-C115 HydrophobicContact CD2-CB 3.92Å; W79-C115 HydrophobicContact CG-CB 4.1Å; W79-C115 HydrophobicContact CZ2-CB 4.18Å; W79-V120 HydrophobicContact CH2-CG1 3.86Å; W79-V120 HydrophobicContact CZ2-CG1 3.95Å; W79-I121 HydrophobicContact CE3-CG1 4.28Å; W79-I121 HydrophobicContact CZ3-CB 4.27Å; W79-I121 HydrophobicContact CZ3-CG1 3.91Å; W79-I121 HydrophobicContact CZ3-CG2 4.33Å; W79-H124 HydrophobicContact CH2-CB 4.06Å; W79-H124 HydrophobicContact CZ3-CB 4.32Å
80H98.2Very high97.3Very high32 Ų3226.8 Ų26.815%0.14814%0.143CC..THydrogen-bonded Turntrans-81.9-1.6-179.162.9-87.2000112.7Y44 K78 H124Y44-H80 WeakPolarHBondContact CE1-O 3.15Å; K78-H80 PolarHBondContact O-N 3.37Å; H80-H124 PolarHBondContact O-NE2 2.62Å
81Y98.6Very high97.1Very high22 Ų2226.7 Ų26.79%0.08614%0.143CC..SBendtrans-91.3138.4166.7-78.522.2000108.5K78 W79 L85 L86 Y190 F198K78-Y81 HydrophobicContact CB-CD1 4.34Å; K78-Y81 HydrophobicContact CB-CG 4.25Å; K78-Y81 HydrophobicContact CD-CE1 4.39Å; K78-Y81 HydrophobicContact CD-CE2 4.39Å; K78-Y81 WeakPolarHBondContact O-CB 3.46Å; K78-Y81 PolarHBondContact O-N 3.26Å; W79-Y81 PolarHBondContact O-N 2.91Å; Y81-L85 HydrophobicContact CD2-CD2 3.69Å; Y81-L85 HydrophobicContact CD2-CG 4.39Å; Y81-L85 HydrophobicContact CE2-CD2 4.36Å; Y81-L85 HydrophobicContact CG-CD2 4.03Å; Y81-L86 HydrophobicContact CD2-CD2 4.33Å; Y81-L86 HydrophobicContact CG-CD2 4.49Å; Y81-Y190 HydrophobicContact CD2-CE1 4.11Å; Y81-Y190 AromaticContact CE2-CD1 3.78Å; Y81-Y190 HydrophobicContact CE2-CD1 3.78Å; Y81-Y190 AromaticContact CE2-CE1 3.41Å; Y81-Y190 HydrophobicContact CE2-CE1 3.41Å; Y81-Y190 VanDerWaalsContact CE2-CE1 3.41Å; Y81-Y190 AromaticContact CZ-CE1 3.7Å; Y81-F198 WeakPolarHBondContact OH-CD1 3.27Å
82P98.9Very high96.8Very high1 Ų126.5 Ų26.51%0.00615%0.145CC..  trans-56.1143.8175.8-26.634.9000112.2S43 Y44 G84 L85 L86 Y260S43-P82 CarbonylContact O-C 3.55Å; S43-P82 WeakPolarHBondContact O-CA 3.37Å; Y44-P82 HydrophobicContact CE1-CG 4.28Å; P82-G84 VanDerWaalsContact C-N 3.28Å; P82-G84 PolarHBondContact O-N 2.82Å; P82-L85 HydrophobicContact CB-CB 4.34Å; P82-L85 WeakPolarHBondContact O-CB 3.49Å; P82-L85 PolarHBondContact O-N 3.41Å; P82-L86 PolarHBondContact O-N 3.49Å; P82-Y260 HydrophobicContact CB-CD1 3.33Å; P82-Y260 HydrophobicContact CB-CE1 3.24Å; P82-Y260 HydrophobicContact CB-CG 4.32Å; P82-Y260 HydrophobicContact CG-CD1 3.65Å; P82-Y260 HydrophobicContact CG-CE1 3.98Å; P82-Y260 HydrophobicContact CG-CG 4.2Å
83I98.9Very high96.4Very high0 Ų029.7 Ų29.70%016%0.163CC..Hα-helixtrans-55.1-44.4-177.3-74161.8000111.7I16 L39 P40 R41 S43 L45 V48 L85 L86 F87 W98I16-I83 HydrophobicContact CD1-CG2 3.93Å; L39-I83 HydrophobicContact CB-CD1 4.35Å; L39-I83 HydrophobicContact CB-CG2 3.89Å; L39-I83 HydrophobicContact CD1-CG2 4.03Å; P40-I83 WeakPolarHBondContact O-CD1 3.4Å; R41-I83 PolarHBondContact O-N 3.08Å; S43-I83 VanDerWaalsContact O-CG1 3.32Å; S43-I83 WeakPolarHBondContact O-CG1 3.42Å; S43-I83 PolarHBondContact O-N 2.74Å; L45-I83 HydrophobicContact CD2-CD1 4.41Å; L45-I83 HydrophobicContact CD2-CG1 3.97Å; L45-I83 HydrophobicContact CG-CG1 3.95Å; V48-I83 HydrophobicContact CG2-CD1 3.59Å; I83-L85 VanDerWaalsContact C-N 3.28Å; I83-L85 PolarHBondContact O-N 2.69Å; I83-L86 PolarHBondContact O-N 2.81Å; I83-F87 PolarHBondContact O-N 3.12Å; I83-W98 HydrophobicContact CG2-CZ3 4.1Å
84G98.8Very high96.1Very high0 Ų025.2 Ų25.20%015%0.146CC..Hα-helixtrans-62-37.8179.100000112.2R41 P82 D88R41-G84 PolarHBondContact O-N 3.35Å; P82-G84 VanDerWaalsContact C-N 3.28Å; P82-G84 PolarHBondContact O-N 2.82Å; G84-D88 VanDerWaalsContact O-CB 3.26Å; G84-D88 WeakPolarHBondContact O-CB 3.34Å; G84-D88 PolarHBondContact O-N 2.89Å
85L98.7Very high96.1Very high1 Ų127 Ų271%0.00516%0.155CC..Hα-helixtrans-66.6-47.1176.5166.963.8000110.9Y81 P82 I83 F87 D88 L89 Y190 Y260 H266 S268Y81-L85 HydrophobicContact CD2-CD2 3.69Å; Y81-L85 HydrophobicContact CD2-CG 4.39Å; Y81-L85 HydrophobicContact CE2-CD2 4.36Å; Y81-L85 HydrophobicContact CG-CD2 4.03Å; P82-L85 HydrophobicContact CB-CB 4.34Å; P82-L85 WeakPolarHBondContact O-CB 3.49Å; P82-L85 PolarHBondContact O-N 3.41Å; I83-L85 VanDerWaalsContact C-N 3.28Å; I83-L85 PolarHBondContact O-N 2.69Å; L85-F87 VanDerWaalsContact C-N 3.3Å; L85-F87 PolarHBondContact O-N 3.06Å; L85-D88 PolarHBondContact O-N 3.07Å; L85-L89 WeakPolarHBondContact O-CB 3.37Å; L85-L89 PolarHBondContact O-N 2.88Å; L85-Y190 HydrophobicContact CD1-CD1 4.47Å; L85-Y190 HydrophobicContact CD1-CD2 3.5Å; L85-Y190 VanDerWaalsContact CD1-CD2 3.5Å; L85-Y190 HydrophobicContact CD1-CE2 3.86Å; L85-Y190 HydrophobicContact CD1-CG 3.84Å; L85-Y190 HydrophobicContact CD2-CD1 4.25Å; L85-Y190 HydrophobicContact CD2-CD2 4.03Å; L85-Y190 HydrophobicContact CD2-CE1 3.81Å; L85-Y190 HydrophobicContact CD2-CE2 3.58Å; L85-Y190 HydrophobicContact CD2-CG 4.34Å; L85-Y190 VanDerWaalsContact CD2-CZ 3.45Å; L85-Y190 HydrophobicContact CG-CD2 4.41Å; L85-Y190 HydrophobicContact CG-CE2 4.39Å; L85-Y260 PolarHBondContact N-OH 3.45Å; L85-H266 HydrophobicContact CB-CB 4.5Å; L85-H266 HydrophobicContact CD1-CB 4.29Å; L85-H266 HydrophobicContact CD2-CB 4.22Å; L85-S268 WeakPolarHBondContact CD1-OG 3.17Å
86L98.1Very high96.2Very high1 Ų129.2 Ų29.21%0.00516%0.164CC..Hα-helixtrans-57.2-45.9177.8-70.5171.5000111.3L45 L77 Y81 P82 I83 H90 W98L45-L86 HydrophobicContact CD1-CD1 3.75Å; L45-L86 HydrophobicContact CG-CD1 4.3Å; L77-L86 HydrophobicContact CB-CD1 4.35Å; L77-L86 HydrophobicContact CD2-CD2 4.38Å; Y81-L86 HydrophobicContact CD2-CD2 4.33Å; Y81-L86 HydrophobicContact CG-CD2 4.49Å; P82-L86 PolarHBondContact O-N 3.49Å; I83-L86 PolarHBondContact O-N 2.81Å; L86-H90 WeakPolarHBondContact O-CB 3.48Å; L86-H90 PolarHBondContact O-CD2 3.15Å; L86-H90 PolarHBondContact O-N 3.4Å; L86-W98 HydrophobicContact CB-CH2 3.93Å; L86-W98 HydrophobicContact CB-CZ2 4.43Å
87F98.3Very high96.2Very high14 Ų1430.4 Ų30.46%0.06117%0.172CC..Hα-helixtrans-64.6-49.3176.9178.5-99.4000111.9I16 I83 L85 L89 H90 A91 S92 L96 W98I16-F87 HydrophobicContact CD1-CB 3.42Å; I16-F87 VanDerWaalsContact CD1-CB 3.42Å; I16-F87 HydrophobicContact CD1-CD1 3.88Å; I16-F87 HydrophobicContact CD1-CD2 4.47Å; I16-F87 HydrophobicContact CD1-CG 3.65Å; I16-F87 HydrophobicContact CG1-CB 4.39Å; I16-F87 HydrophobicContact CG1-CD1 4.07Å; I16-F87 HydrophobicContact CG1-CG 4.1Å; I16-F87 HydrophobicContact CG2-CD1 4.5Å; I16-F87 HydrophobicContact CG2-CD2 3.77Å; I16-F87 HydrophobicContact CG2-CE2 4.05Å; I16-F87 HydrophobicContact CG2-CG 4.02Å; I83-F87 PolarHBondContact O-N 3.12Å; L85-F87 VanDerWaalsContact C-N 3.3Å; L85-F87 PolarHBondContact O-N 3.06Å; F87-L89 PolarHBondContact O-N 2.94Å; F87-H90 PolarHBondContact O-N 2.83Å; F87-A91 HydrophobicContact CD2-CB 3.77Å; F87-A91 HydrophobicContact CE2-CB 3.84Å; F87-A91 CarbonylContact O-C 3.56Å; F87-A91 WeakPolarHBondContact O-CA 3.5Å; F87-A91 PolarHBondContact O-N 3.33Å; F87-S92 PolarHBondContact O-N 3.46Å; F87-L96 HydrophobicContact CE2-CD2 3.87Å; F87-L96 HydrophobicContact CZ-CD2 3.66Å; F87-W98 HydrophobicContact CB-CD2 4.47Å; F87-W98 HydrophobicContact CB-CE3 4.22Å; F87-W98 HydrophobicContact CB-CZ3 4.24Å; F87-W98 HydrophobicContact CD2-CB 3.82Å; F87-W98 AromaticContact CD2-CD2 3.69Å; F87-W98 HydrophobicContact CD2-CD2 3.69Å; F87-W98 HydrophobicContact CD2-CE3 4.02Å; F87-W98 AromaticContact CD2-CG 3.6Å; F87-W98 HydrophobicContact CD2-CG 3.6Å; F87-W98 HydrophobicContact CE2-CB 3.8Å; F87-W98 AromaticContact CE2-CG 3.98Å; F87-W98 HydrophobicContact CE2-CG 3.98Å
88D97.4Very high96.3Very high2 Ų230.3 Ų30.31%0.01117%0.171CC..Hα-helixtrans-60.2-35.8-178.3-70.5-6.7000112R41 G84 L85 S92 M239 H241 G242R41-D88 IonicContact CZ-OD1 3.88Å; R41-D88 IonicContact NH1-OD1 3.94Å; R41-D88 PolarHBondContact NH1-OD1 2.92Å; R41-D88 IonicContact NH1-OD2 3.79Å; R41-D88 PolarHBondContact NH1-OD2 3.41Å; R41-D88 IonicContact NH2-OD1 3Å; G84-D88 VanDerWaalsContact O-CB 3.26Å; G84-D88 WeakPolarHBondContact O-CB 3.34Å; G84-D88 PolarHBondContact O-N 2.89Å; L85-D88 PolarHBondContact O-N 3.07Å; D88-S92 WeakPolarHBondContact O-CB 3.22Å; D88-S92 PolarHBondContact O-OG 3.22Å; D88-M239 HydrophobicContact CB-CG 4.2Å; D88-M239 HydrophobicContact CB-SD 3.64Å; D88-M239 VanDerWaalsContact CG-SD 3.6Å; D88-H241 PolarHBondContact OD2-N 2.77Å; D88-G242 WeakPolarHBondContact OD1-CA 3.45Å; D88-G242 PolarHBondContact OD1-N 3.3Å; D88-G242 PolarHBondContact OD2-N 2.74Å
89L95.4Very high96.3Very high19 Ų1930.2 Ų30.210%0.09918%0.18CC..Hα-helixtrans-79.2-35.1-178.4-173.862.3000113.7L85 F87 A192 I270L85-L89 WeakPolarHBondContact O-CB 3.37Å; L85-L89 PolarHBondContact O-N 2.88Å; F87-L89 PolarHBondContact O-N 2.94Å; L89-A192 HydrophobicContact CD1-CB 4.12Å; L89-I270 HydrophobicContact CD1-CG2 4.43Å
90H93.8Very high96.3Very high56 Ų5629.6 Ų29.626%0.25918%0.177SC..Hα-helixtrans-112.5-28.7-168.9-60.6-59.7000114.7Y72 L86 F87Y72-H90 HydrophobicContact CD1-CB 3.96Å; Y72-H90 HydrophobicContact CE1-CB 4.33Å; Y72-H90 VanDerWaalsContact CE1-O 3.22Å; Y72-H90 WeakPolarHBondContact CE1-O 3.38Å; L86-H90 WeakPolarHBondContact O-CB 3.48Å; L86-H90 PolarHBondContact O-CD2 3.15Å; L86-H90 PolarHBondContact O-N 3.4Å; F87-H90 PolarHBondContact O-N 2.83Å
91A94.3Very high96.3Very high1 Ų129.8 Ų29.81%0.00818%0.181CC..THydrogen-bonded Turntrans-137.85-164.700000114.6Y72 F87 N93 T94 W98Y72-A91 HydrophobicContact CD2-CB 4.4Å; Y72-A91 HydrophobicContact CE1-CB 3.97Å; Y72-A91 HydrophobicContact CE2-CB 3.8Å; F87-A91 HydrophobicContact CD2-CB 3.77Å; F87-A91 HydrophobicContact CE2-CB 3.84Å; F87-A91 CarbonylContact O-C 3.56Å; F87-A91 WeakPolarHBondContact O-CA 3.5Å; F87-A91 PolarHBondContact O-N 3.33Å; A91-N93 PolarHBondContact O-N 3.19Å; A91-T94 PolarHBondContact O-N 2.75Å; A91-T94 VanDerWaalsContact O-N 3.11Å; A91-T94 PolarHBondContact O-OG1 2.83Å; A91-W98 VanDerWaalsContact CB-CD1 3.46Å; A91-W98 HydrophobicContact CB-CG 4.3Å
92S90.6Very high96.3Very high31 Ų3128.7 Ų28.722%0.21718%0.177CC..THydrogen-bonded Turntrans-61.9-28.8-177.744.60000114.3F87 D88 I270F87-S92 PolarHBondContact O-N 3.46Å; D88-S92 WeakPolarHBondContact O-CB 3.22Å; D88-S92 PolarHBondContact O-OG 3.22Å; S92-I270 WeakPolarHBondContact OG-CD1 3.25Å
93N88.9Confident96.2Very high76 Ų7629 Ų2941%0.40618%0.178SC..THydrogen-bonded Turntrans-94.59.4179.4-64-16.6000113A91 P271 P273A91-N93 PolarHBondContact O-N 3.19Å; N93-P271 PolarHBondContact ND2-O 3.41Å; N93-P271 VanDerWaalsContact ND2-O 3.08Å; N93-P273 HydrophobicContact CB-CG 4.43Å; N93-P273 WeakPolarHBondContact OD1-CG 3.32Å
94T89.3Confident96Very high55 Ų5529.1 Ų29.134%0.33718%0.178SC..SBendtrans-106.6160.6179.668.90000112.2Y72 A91 L96Y72-T94 WeakPolarHBondContact OH-CG2 3.43Å; Y72-T94 PolarHBondContact OH-OG1 3.22Å; Y72-T94 VanDerWaalsContact OH-OG1 3.09Å; A91-T94 PolarHBondContact O-N 2.75Å; A91-T94 VanDerWaalsContact O-N 3.11Å; A91-T94 PolarHBondContact O-OG1 2.83Å; T94-L96 PolarHBondContact O-N 3.41Å
95A93.5Very high95.7Very high90 Ų9031.3 Ų31.374%0.74419%0.188SC*.PPolyproline II helixtrans-66134.2-179.800000110.7
96L97.3Very high95.4Very high101 Ų10138.3 Ų38.353%0.52923%0.225SC..SBendtrans-73.6151.8171.9-68177000111.1P17 F87 T94P17-L96 HydrophobicContact CG-CB 4.25Å; P17-L96 HydrophobicContact CG-CD1 3.86Å; P17-L96 HydrophobicContact CG-CD2 4.05Å; P17-L96 HydrophobicContact CG-CG 4.28Å; F87-L96 HydrophobicContact CE2-CD2 3.87Å; F87-L96 HydrophobicContact CZ-CD2 3.66Å; T94-L96 PolarHBondContact O-N 3.41Å
97P98.1Very high95.3Very high48 Ų4839.8 Ų39.831%0.31223%0.232SC..SBendcis-75.31550.931.8-35.4000113.4P17 C19 Y36 S99P17-P97 HydrophobicContact CB-CB 4.28Å; P17-P97 CarbonylContact O-C 3.53Å; P17-P97 WeakPolarHBondContact O-CA 3.12Å; P17-P97 WeakPolarHBondContact O-CB 3.46Å; C19-P97 HydrophobicContact CB-CB 4.3Å; C19-P97 HydrophobicContact CB-CG 3.87Å; Y36-P97 HydrophobicContact CE1-CG 4.14Å; P97-S99 PolarHBondContact O-N 3Å; P97-S99 VanDerWaalsContact O-N 3.12Å; P97-S99 PolarHBondContact O-OG 3.3Å
98W98.5Very high95.2Very high1 Ų140.1 Ų40.10%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-59.3116.8173-176.126.6000109.9I16 P17 T18 C19 L39 Y72 L77 I83 L86 F87 A91 I100I16-W98 HydrophobicContact CG2-CB 3.93Å; I16-W98 HydrophobicContact CG2-CE3 4.02Å; P17-W98 PolarHBondContact O-N 3.04Å; T18-W98 CarbonylContact C-O 3.47Å; T18-W98 VanDerWaalsContact CA-O 3.3Å; T18-W98 WeakPolarHBondContact CA-O 2.96Å; T18-W98 HydrophobicContact CG2-CB 4.37Å; T18-W98 HydrophobicContact CG2-CE3 4.25Å; T18-W98 VanDerWaalsContact CG2-O 3.29Å; T18-W98 WeakPolarHBondContact CG2-O 3.46Å; C19-W98 PolarHBondContact N-O 3.4Å; L39-W98 HydrophobicContact CD1-CE3 4.31Å; L39-W98 HydrophobicContact CD1-CZ3 4.13Å; Y72-W98 AromaticContact CD2-CD1 3.5Å; Y72-W98 AromaticContact CD2-NE1 3.05Å; Y72-W98 AromaticContact CE2-CD1 3.52Å; Y72-W98 AromaticContact CE2-NE1 3.49Å; Y72-W98 AromaticContact CG-NE1 3.61Å; L77-W98 HydrophobicContact CD1-CH2 3.94Å; L77-W98 HydrophobicContact CD1-CZ2 3.63Å; L77-W98 HydrophobicContact CD2-CZ2 4.1Å; I83-W98 HydrophobicContact CG2-CZ3 4.1Å; L86-W98 HydrophobicContact CB-CH2 3.93Å; L86-W98 HydrophobicContact CB-CZ2 4.43Å; F87-W98 HydrophobicContact CB-CD2 4.47Å; F87-W98 HydrophobicContact CB-CE3 4.22Å; F87-W98 HydrophobicContact CB-CZ3 4.24Å; F87-W98 HydrophobicContact CD2-CB 3.82Å; F87-W98 AromaticContact CD2-CD2 3.69Å; F87-W98 HydrophobicContact CD2-CD2 3.69Å; F87-W98 HydrophobicContact CD2-CE3 4.02Å; F87-W98 AromaticContact CD2-CG 3.6Å; F87-W98 HydrophobicContact CD2-CG 3.6Å; F87-W98 HydrophobicContact CE2-CB 3.8Å; F87-W98 AromaticContact CE2-CG 3.98Å; F87-W98 HydrophobicContact CE2-CG 3.98Å; A91-W98 VanDerWaalsContact CB-CD1 3.46Å; A91-W98 HydrophobicContact CB-CG 4.3Å; W98-I100 HydrophobicContact CD2-CD1 3.82Å; W98-I100 HydrophobicContact CD2-CG1 3.8Å; W98-I100 HydrophobicContact CE3-CD1 3.64Å; W98-I100 HydrophobicContact CE3-CG1 4.16Å; W98-I100 HydrophobicContact CG-CG1 4.23Å; W98-I100 HydrophobicContact CH2-CD1 3.71Å; W98-I100 HydrophobicContact CH2-CG1 4.4Å; W98-I100 HydrophobicContact CZ2-CD1 3.89Å; W98-I100 HydrophobicContact CZ2-CG1 4.07Å; W98-I100 HydrophobicContact CZ3-CD1 3.57Å; W98-I100 HydrophobicContact CZ3-CG1 4.43Å; W98-I100 PolarHBondContact O-N 3.01Å
99S98.2Very high95.2Very high69 Ų6945.8 Ų45.848%0.48326%0.262SS..EExtended strand (participates in β ladder)trans-92.8103.2-174.1-65.80000110.5Y72 P97Y72-S99 VanDerWaalsContact CD2-O 3.29Å; Y72-S99 WeakPolarHBondContact CD2-O 3.33Å; P97-S99 PolarHBondContact O-N 3Å; P97-S99 VanDerWaalsContact O-N 3.12Å; P97-S99 PolarHBondContact O-OG 3.3Å
100I98.6Very high95.1Very high1 Ų154.4 Ų54.41%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-103.5131179.5-63.7-177.6000109.8T18 C19 F20 T21 L39 L45 F70 L77 W98T18-I100 HydrophobicContact CG2-CB 4.31Å; T18-I100 HydrophobicContact CG2-CD1 3.54Å; T18-I100 HydrophobicContact CG2-CG1 3.79Å; C19-I100 PolarHBondContact O-N 3.26Å; F20-I100 CarbonylContact C-O 3.53Å; F20-I100 WeakPolarHBondContact CA-O 3.43Å; F20-I100 HydrophobicContact CD1-CB 3.88Å; F20-I100 HydrophobicContact CD1-CG2 3.78Å; F20-I100 HydrophobicContact CE1-CB 4.02Å; F20-I100 HydrophobicContact CE1-CD1 3.85Å; F20-I100 HydrophobicContact CE1-CG2 3.82Å; F20-I100 HydrophobicContact CZ-CD1 4.15Å; T21-I100 PolarHBondContact N-O 3.05Å; L39-I100 HydrophobicContact CD1-CD1 4.34Å; L45-I100 HydrophobicContact CD2-CD1 4.17Å; F70-I100 HydrophobicContact CB-CG2 3.77Å; F70-I100 HydrophobicContact CD1-CG2 3.81Å; F70-I100 HydrophobicContact CG-CG2 4.19Å; L77-I100 HydrophobicContact CD1-CD1 4.01Å; L77-I100 HydrophobicContact CD1-CG1 4.15Å; L77-I100 HydrophobicContact CD1-CG2 4.19Å; W98-I100 HydrophobicContact CD2-CD1 3.82Å; W98-I100 HydrophobicContact CD2-CG1 3.8Å; W98-I100 HydrophobicContact CE3-CD1 3.64Å; W98-I100 HydrophobicContact CE3-CG1 4.16Å; W98-I100 HydrophobicContact CG-CG1 4.23Å; W98-I100 HydrophobicContact CH2-CD1 3.71Å; W98-I100 HydrophobicContact CH2-CG1 4.4Å; W98-I100 HydrophobicContact CZ2-CD1 3.89Å; W98-I100 HydrophobicContact CZ2-CG1 4.07Å; W98-I100 HydrophobicContact CZ3-CD1 3.57Å; W98-I100 HydrophobicContact CZ3-CG1 4.43Å; W98-I100 PolarHBondContact O-N 3.01Å
101T98.6Very high95.1Very high36 Ų3656 Ų5622%0.22131%0.309CS..EExtended strand (participates in β ladder)trans-87.8133.8170.8-49.60000109.9T21 Y23 F70 E71 H103T21-T101 CarbonylContact O-C 3.6Å; T21-T101 WeakPolarHBondContact O-CA 3.31Å; Y23-T101 HydrophobicContact CD2-CG2 3.9Å; Y23-T101 HydrophobicContact CG-CG2 4.32Å; F70-T101 WeakPolarHBondContact CA-O 3.26Å; E71-T101 PolarHBondContact N-O 2.86Å; E71-T101 PolarHBondContact O-N 2.81Å; T101-H103 VanDerWaalsContact CG2-NE2 3.3Å; T101-H103 WeakPolarHBondContact CG2-NE2 3.34Å
102V98.1Very high95.2Very high0 Ų056.4 Ų56.40%031%0.311CS..EExtended strand (participates in β ladder)trans-102131.2178-178.70000109.4F20 T21 L22 Y23 V52 F56 I68 F70 F104F20-V102 HydrophobicContact CB-CG2 3.92Å; F20-V102 HydrophobicContact CD1-CG2 3.71Å; F20-V102 HydrophobicContact CG-CG2 4.29Å; T21-V102 PolarHBondContact O-N 3.3Å; L22-V102 HydrophobicContact CD1-CB 4.43Å; L22-V102 HydrophobicContact CD1-CG1 4.39Å; Y23-V102 WeakPolarHBondContact CB-O 3.3Å; Y23-V102 PolarHBondContact N-O 2.51Å; V52-V102 HydrophobicContact CG1-CG2 4.15Å; F56-V102 HydrophobicContact CD2-CB 4.19Å; F56-V102 HydrophobicContact CD2-CG1 4.03Å; F56-V102 HydrophobicContact CD2-CG2 4.06Å; F56-V102 HydrophobicContact CE2-CB 4.22Å; F56-V102 HydrophobicContact CE2-CG2 3.72Å; I68-V102 HydrophobicContact CD1-CG1 3.65Å; I68-V102 HydrophobicContact CG1-CG1 3.78Å; F70-V102 HydrophobicContact CD1-CG2 4.04Å; F70-V102 HydrophobicContact CE1-CG1 4.49Å; F70-V102 HydrophobicContact CE1-CG2 4.01Å; V102-F104 HydrophobicContact CG1-CD2 4.4Å; V102-F104 HydrophobicContact CG1-CE2 3.82Å; V102-F104 HydrophobicContact CG1-CZ 4.36Å
103H97.2Very high95.5Very high8 Ų859.8 Ų59.84%0.03733%0.326CS..EExtended strand (participates in β ladder)trans-126.6152.1177.7-59.3-105.7000109.8Y23 I68 W69 E71 T101Y23-H103 WeakPolarHBondContact CB-ND1 3.35Å; Y23-H103 AromaticContact CD1-CE1 3.99Å; Y23-H103 AromaticContact CD1-ND1 3.81Å; Y23-H103 AromaticContact CD2-CE1 3.3Å; Y23-H103 WeakPolarHBondContact CD2-CE1 3.35Å; Y23-H103 AromaticContact CD2-ND1 3.93Å; Y23-H103 AromaticContact CE2-CE1 3.96Å; Y23-H103 AromaticContact CG-CE1 3.34Å; Y23-H103 AromaticContact CG-ND1 3.46Å; I68-H103 WeakPolarHBondContact CA-O 3.21Å; W69-H103 HydrophobicContact CD2-CB 3.66Å; W69-H103 AromaticContact CE2-CG 3.58Å; W69-H103 HydrophobicContact CE3-CB 4.33Å; W69-H103 HydrophobicContact CG-CB 4.03Å; W69-H103 HydrophobicContact CH2-CB 4.12Å; W69-H103 AromaticContact CH2-CD2 3.63Å; W69-H103 AromaticContact CH2-CE1 3.73Å; W69-H103 AromaticContact CH2-CG 3.57Å; W69-H103 AromaticContact CH2-ND1 3.64Å; W69-H103 AromaticContact CH2-NE2 3.78Å; W69-H103 HydrophobicContact CZ2-CB 3.42Å; W69-H103 VanDerWaalsContact CZ2-CB 3.42Å; W69-H103 AromaticContact CZ2-CD2 3.86Å; W69-H103 AromaticContact CZ2-CG 3.32Å; W69-H103 AromaticContact CZ2-ND1 3.45Å; W69-H103 WeakPolarHBondContact CZ2-ND1 3.36Å; W69-H103 AromaticContact CZ3-CD2 3.75Å; W69-H103 PolarHBondContact N-O 3.08Å; W69-H103 PolarHBondContact O-N 3.37Å; E71-H103 WeakPolarHBondContact CB-NE2 3.2Å; E71-H103 IonicContact OE2-CE1 3.78Å; E71-H103 IonicContact OE2-NE2 3.64Å; T101-H103 VanDerWaalsContact CG2-NE2 3.3Å; T101-H103 WeakPolarHBondContact CG2-NE2 3.34Å
104F94.9Very high96Very high1 Ų159.3 Ų59.30%0.00432%0.321CS..SBendtrans-119.7-36169.7-70.6-90.9000110.2L22 E26 K53 F56 Q57 M60 V65 T66 E67 I68 V102L22-F104 HydrophobicContact CD1-CD2 3.98Å; L22-F104 HydrophobicContact CD1-CE2 3.86Å; E26-F104 PolarHBondContact OE1-N 3.18Å; K53-F104 HydrophobicContact CG-CE1 4.5Å; F56-F104 HydrophobicContact CB-CE2 3.81Å; F56-F104 HydrophobicContact CB-CZ 4.05Å; Q57-F104 HydrophobicContact CG-CE1 3.99Å; Q57-F104 HydrophobicContact CG-CZ 4.14Å; M60-F104 HydrophobicContact CE-CB 3.67Å; M60-F104 HydrophobicContact CE-CD2 3.76Å; M60-F104 HydrophobicContact CE-CG 3.78Å; M60-F104 HydrophobicContact SD-CB 4.16Å; M60-F104 HydrophobicContact SD-CD1 4.15Å; M60-F104 HydrophobicContact SD-CD2 3.16Å; M60-F104 WeakPolarHBondContact SD-CD2 3.45Å; M60-F104 HydrophobicContact SD-CE1 4.37Å; M60-F104 HydrophobicContact SD-CE2 3.43Å; M60-F104 WeakPolarHBondContact SD-CE2 3.36Å; M60-F104 HydrophobicContact SD-CG 3.55Å; M60-F104 VanDerWaalsContact SD-CG 3.55Å; M60-F104 HydrophobicContact SD-CZ 4.04Å; V65-F104 HydrophobicContact CG1-CD1 4.31Å; V65-F104 HydrophobicContact CG1-CE1 4.42Å; T66-F104 WeakPolarHBondContact CB-O 3.37Å; T66-F104 VanDerWaalsContact OG1-C 3.25Å; T66-F104 PolarHBondContact OG1-O 2.79Å; E67-F104 VanDerWaalsContact O-O 3.11Å; I68-F104 HydrophobicContact CB-CD1 4.19Å; I68-F104 HydrophobicContact CB-CE1 3.88Å; I68-F104 HydrophobicContact CB-CZ 4.42Å; I68-F104 HydrophobicContact CD1-CE1 4.27Å; I68-F104 HydrophobicContact CD1-CZ 3.98Å; I68-F104 HydrophobicContact CG1-CE1 4.13Å; I68-F104 HydrophobicContact CG1-CZ 4.16Å; V102-F104 HydrophobicContact CG1-CD2 4.4Å; V102-F104 HydrophobicContact CG1-CE2 3.82Å; V102-F104 HydrophobicContact CG1-CZ 4.36Å
105K91.1Very high96.3Very high46 Ų4657.4 Ų57.420%0.231%0.31CS..SBendtrans-89.2170.7-179.9-65.3-179.1-179.1-168.60113E26 E64 W69 F107E26-K105 PolarHBondContact OE1-N 3.36Å; E26-K105 WeakPolarHBondContact OE2-CG 3.39Å; E64-K105 IonicContact OE1-NZ 3.51Å; E64-K105 PolarHBondContact OE1-NZ 3.46Å; E64-K105 WeakPolarHBondContact OE2-CE 3.49Å; E64-K105 IonicContact OE2-NZ 3.59Å; E64-K105 PolarHBondContact OE2-NZ 2.83Å; W69-K105 PolarHBondContact NE1-O 3.06Å; K105-F107 VanDerWaalsContact C-N 3.33Å; K105-F107 PolarHBondContact O-N 3.31Å
106N92.6Very high96.2Very high148 Ų14860.1 Ų60.179%0.79131%0.307SS*.SBendtrans51.548.8171.4-57.4-33000113
107F96.3Very high96.1Very high33 Ų3357.7 Ų57.715%0.14530%0.299CS..  trans-54.2126.5179.5-170.9-89.1000110.3E67 W69 K105 E109 L112 H114E67-F107 HydrophobicContact CB-CD2 4.44Å; E67-F107 HydrophobicContact CG-CD2 4.35Å; E67-F107 HydrophobicContact CG-CE2 4.15Å; W69-F107 HydrophobicContact CB-CD2 3.96Å; W69-F107 HydrophobicContact CB-CE2 3.9Å; W69-F107 AromaticContact CD1-CD2 3.77Å; W69-F107 HydrophobicContact CG-CD2 4Å; W69-F107 HydrophobicContact CG-CE2 4.42Å; K105-F107 VanDerWaalsContact C-N 3.33Å; K105-F107 PolarHBondContact O-N 3.31Å; F107-E109 VanDerWaalsContact C-N 3.32Å; F107-E109 PolarHBondContact O-N 3.22Å; F107-L112 HydrophobicContact CE1-CB 3.83Å; F107-L112 HydrophobicContact CE2-CB 4.43Å; F107-L112 HydrophobicContact CE2-CD1 4.39Å; F107-L112 HydrophobicContact CZ-CB 3.6Å; F107-L112 HydrophobicContact CZ-CD1 4.35Å; F107-H114 AromaticContact CD1-CE1 3.63Å; F107-H114 AromaticContact CD1-ND1 3.96Å; F107-H114 AromaticContact CE1-CE1 3.68Å; F107-H114 AromaticContact CE1-ND1 3.65Å; F107-H114 AromaticContact CZ-ND1 3.85Å
108P96.5Very high96Very high21 Ų2158.7 Ų58.714%0.13630%0.298CS..  trans-80.180.2-17531.7-35.7000110.9W69 P76 K110 D111 L112W69-P108 HydrophobicContact CD2-CG 4.2Å; W69-P108 HydrophobicContact CE3-CG 4.03Å; W69-P108 HydrophobicContact CZ3-CG 4.19Å; P76-P108 HydrophobicContact CB-CG 3.82Å; P76-P108 HydrophobicContact CG-CB 4.1Å; P76-P108 HydrophobicContact CG-CG 3.86Å; P108-K110 PolarHBondContact O-N 3.45Å; P108-D111 HydrophobicContact CB-CB 4.24Å; P108-D111 PolarHBondContact O-N 3.42Å; P108-L112 HydrophobicContact CG-CB 4.28Å; P108-L112 HydrophobicContact CG-CD1 3.6Å; P108-L112 HydrophobicContact CG-CG 3.76Å; P108-L112 PolarHBondContact O-N 3.19Å
109E96.4Very high96Very high121 Ų12164.1 Ų64.157%0.56533%0.327SS*.THydrogen-bonded Turntrans-51.1-27.1-176.6-65.8-65.4168.700115F107 H114F107-E109 VanDerWaalsContact C-N 3.32Å; F107-E109 PolarHBondContact O-N 3.22Å; E109-H114 IonicContact OE1-CE1 3.61Å; E109-H114 PolarHBondContact OE1-CE1 3.34Å; E109-H114 IonicContact OE1-NE2 3.9Å; E109-H114 PolarHBondContact OE1-NE2 3.46Å; E109-H114 IonicContact OE2-CD2 2.71Å; E109-H114 IonicContact OE2-CE1 3.37Å; E109-H114 IonicContact OE2-NE2 3.62Å; E109-H114 PolarHBondContact OE2-NE2 3.48Å
110K94.9Very high96Very high199 Ų19963.3 Ų63.387%0.86532%0.319SS*.THydrogen-bonded Turntrans-84.2-23.3-179.3-64.5-177.6-177.8175.90113P108P108-K110 PolarHBondContact O-N 3.45Å
111D93.6Very high96Very high91 Ų9163.3 Ų63.349%0.48732%0.319SS..THydrogen-bonded Turntrans-110.9-27.6-168.2-55.6-60.7000112.4P76 P108P76-D111 HydrophobicContact CB-CB 4.24Å; P76-D111 HydrophobicContact CG-CB 4.16Å; P108-D111 HydrophobicContact CB-CB 4.24Å; P108-D111 PolarHBondContact O-N 3.42Å
112L96.7Very high96Very high9 Ų964.2 Ų64.25%0.04732%0.321CS..  trans-120.6142.4-176.1-63.9-174000112.6W69 P76 L77 K78 F107 P108W69-L112 HydrophobicContact CB-CD1 3.86Å; W69-L112 HydrophobicContact CD2-CD1 4.43Å; W69-L112 HydrophobicContact CE3-CD1 4.11Å; W69-L112 HydrophobicContact CG-CD1 4.39Å; P76-L112 HydrophobicContact CB-CD1 3.87Å; P76-L112 HydrophobicContact CB-CD2 3.89Å; P76-L112 HydrophobicContact CB-CG 3.74Å; L77-L112 WeakPolarHBondContact O-CD2 3.46Å; K78-L112 HydrophobicContact CB-CD2 4.46Å; K78-L112 HydrophobicContact CG-CD2 4.07Å; F107-L112 HydrophobicContact CE1-CB 3.83Å; F107-L112 HydrophobicContact CE2-CB 4.43Å; F107-L112 HydrophobicContact CE2-CD1 4.39Å; F107-L112 HydrophobicContact CZ-CB 3.6Å; F107-L112 HydrophobicContact CZ-CD1 4.35Å; P108-L112 HydrophobicContact CG-CB 4.28Å; P108-L112 HydrophobicContact CG-CD1 3.6Å; P108-L112 HydrophobicContact CG-CG 3.76Å; P108-L112 PolarHBondContact O-N 3.19Å
113L96.9Very high96Very high101 Ų10167.2 Ų67.253%0.52935%0.346SS..  trans-82.4142.5165.7-57.8178.8000108.8W79W79-L113 PolarHBondContact NE1-O 3.15Å
114H97.7Very high96.1Very high66 Ų6668.9 Ų68.931%0.30635%0.354SS..  trans-65.4150170.1-66.7-75000112.6E67 F107 E109 H116E67-H114 IonicContact OE2-CE1 2.74Å; E67-H114 IonicContact OE2-CG 2.79Å; E67-H114 IonicContact OE2-ND1 2.69Å; E67-H114 PolarHBondContact OE2-ND1 3.34Å; F107-H114 AromaticContact CD1-CE1 3.63Å; F107-H114 AromaticContact CD1-ND1 3.96Å; F107-H114 AromaticContact CE1-CE1 3.68Å; F107-H114 AromaticContact CE1-ND1 3.65Å; F107-H114 AromaticContact CZ-ND1 3.85Å; E109-H114 IonicContact OE1-CE1 3.61Å; E109-H114 PolarHBondContact OE1-CE1 3.34Å; E109-H114 IonicContact OE1-NE2 3.9Å; E109-H114 PolarHBondContact OE1-NE2 3.46Å; E109-H114 IonicContact OE2-CD2 2.71Å; E109-H114 IonicContact OE2-CE1 3.37Å; E109-H114 IonicContact OE2-NE2 3.62Å; E109-H114 PolarHBondContact OE2-NE2 3.48Å; H114-H116 WeakPolarHBondContact CB-CE1 3.39Å; H114-H116 WeakPolarHBondContact CB-NE2 3.42Å; H114-H116 AromaticContact CG-CE1 3.87Å; H114-H116 AromaticContact CG-NE2 3.69Å; H114-H116 AromaticContact ND1-NE2 3.86Å
115C96.8Very high96.3Very high16 Ų1668.9 Ų68.911%0.10835%0.353CS..  trans-135.971.2178.6-174.40000110.9T46 E67 W79 S117 I121T46-C115 HydrophobicContact CG2-CB 4.04Å; T46-C115 PolarHBondContact OG1-SG 3.34Å; T46-C115 VanDerWaalsContact OG1-SG 3.33Å; E67-C115 WeakPolarHBondContact OE1-CA 3.45Å; E67-C115 PolarHBondContact OE1-N 3.28Å; W79-C115 HydrophobicContact CD2-CB 3.92Å; W79-C115 HydrophobicContact CG-CB 4.1Å; W79-C115 HydrophobicContact CZ2-CB 4.18Å; C115-S117 VanDerWaalsContact C-N 3.32Å; C115-S117 PolarHBondContact O-N 3.12Å; C115-I121 VanDerWaalsContact SG-CG1 3.53Å
116H91.1Very high96.6Very high146 Ų14667.5 Ų67.568%0.67635%0.348SS*.  trans-70.7-21.4-175.2-52.9122.1000115.2E67 H114E67-H116 IonicContact OE2-CD2 3.72Å; E67-H116 IonicContact OE2-NE2 3.03Å; H114-H116 WeakPolarHBondContact CB-CE1 3.39Å; H114-H116 WeakPolarHBondContact CB-NE2 3.42Å; H114-H116 AromaticContact CG-CE1 3.87Å; H114-H116 AromaticContact CG-NE2 3.69Å; H114-H116 AromaticContact ND1-NE2 3.86Å
117S95.3Very high96.9Very high50 Ų5063 Ų6335%0.3533%0.332SS..SBendtrans-155.1164-177.475.80000112.5C115 D119 V120C115-S117 VanDerWaalsContact C-N 3.32Å; C115-S117 PolarHBondContact O-N 3.12Å; S117-D119 PolarHBondContact O-N 3.07Å; S117-D119 PolarHBondContact OG-N 3.18Å; S117-V120 WeakPolarHBondContact O-CB 3.3Å; S117-V120 PolarHBondContact O-N 3.45Å
118K96.6Very high97.1Very high69 Ų6961.6 Ų61.630%0.333%0.326SS..Hα-helixtrans-65.1-22.9173.5-63.8-169.2-179-1730112.6L47 D50 V120 I121 E122 W154L47-K118 HydrophobicContact CD1-CD 4.07Å; L47-K118 HydrophobicContact CD1-CG 4.37Å; D50-K118 IonicContact OD2-NZ 3.46Å; D50-K118 PolarHBondContact OD2-NZ 3Å; K118-V120 VanDerWaalsContact C-N 3.29Å; K118-V120 PolarHBondContact O-N 3.01Å; K118-I121 WeakPolarHBondContact O-CB 3.35Å; K118-I121 PolarHBondContact O-N 3.12Å; K118-E122 PolarHBondContact O-N 3.29Å; K118-W154 HydrophobicContact CB-CZ2 4.39Å
119D97.7Very high97.2Very high115 Ų11560.6 Ų60.662%0.61532%0.319SS*.Hα-helixtrans-66.9-32.3176.2-57-18.7000111.5S117 I121 E122 A123S117-D119 PolarHBondContact O-N 3.07Å; S117-D119 PolarHBondContact OG-N 3.18Å; D119-I121 VanDerWaalsContact C-N 3.31Å; D119-E122 PolarHBondContact O-N 3.27Å; D119-A123 VanDerWaalsContact O-CB 3.31Å; D119-A123 WeakPolarHBondContact O-CB 3.32Å; D119-A123 PolarHBondContact O-N 3.23Å
120V98.1Very high97.3Very high53 Ų5359.4 Ų59.432%0.32131%0.312SS..Hα-helixtrans-64.9-39.6173.4-179.40000110.5W79 S117 K118 A123 H124W79-V120 HydrophobicContact CH2-CG1 3.86Å; W79-V120 HydrophobicContact CZ2-CG1 3.95Å; S117-V120 WeakPolarHBondContact O-CB 3.3Å; S117-V120 PolarHBondContact O-N 3.45Å; K118-V120 VanDerWaalsContact C-N 3.29Å; K118-V120 PolarHBondContact O-N 3.01Å; V120-A123 PolarHBondContact O-N 3.13Å; V120-H124 WeakPolarHBondContact O-CB 3.43Å; V120-H124 PolarHBondContact O-N 2.84Å
121I98.6Very high97.5Very high1 Ų153.2 Ų53.21%0.00529%0.287CS..Hα-helixtrans-67.5-45.6176.8-49.7174.4000110.3Y44 T46 L47 W79 C115 K118 D119 A123 H124 F125 W154Y44-I121 HydrophobicContact CD2-CG2 3.64Å; Y44-I121 HydrophobicContact CE2-CG2 4.27Å; Y44-I121 HydrophobicContact CG-CG2 4.19Å; T46-I121 WeakPolarHBondContact OG1-CD1 3.12Å; L47-I121 HydrophobicContact CB-CD1 4.03Å; L47-I121 HydrophobicContact CB-CG2 4.49Å; L47-I121 HydrophobicContact CD1-CD1 4.29Å; L47-I121 HydrophobicContact CD2-CG2 4.41Å; W79-I121 HydrophobicContact CE3-CG1 4.28Å; W79-I121 HydrophobicContact CZ3-CB 4.27Å; W79-I121 HydrophobicContact CZ3-CG1 3.91Å; W79-I121 HydrophobicContact CZ3-CG2 4.33Å; C115-I121 VanDerWaalsContact SG-CG1 3.53Å; K118-I121 WeakPolarHBondContact O-CB 3.35Å; K118-I121 PolarHBondContact O-N 3.12Å; D119-I121 VanDerWaalsContact C-N 3.31Å; I121-A123 VanDerWaalsContact C-N 3.33Å; I121-A123 PolarHBondContact O-N 3.23Å; I121-H124 PolarHBondContact O-N 2.85Å; I121-F125 VanDerWaalsContact O-CB 3.29Å; I121-F125 WeakPolarHBondContact O-CB 3.28Å; I121-F125 PolarHBondContact O-N 3.11Å; I121-W154 HydrophobicContact CB-CH2 4Å; I121-W154 HydrophobicContact CG2-CH2 3.87Å; I121-W154 HydrophobicContact CG2-CZ3 4.05Å
122E98.8Very high97.7Very high55 Ų5548.9 Ų48.926%0.25726%0.263SS..Hα-helixtrans-59.3-44.2175.7-176.8174.4178.100111.3K118 D119 F125 M126 W154K118-E122 PolarHBondContact O-N 3.29Å; D119-E122 PolarHBondContact O-N 3.27Å; E122-F125 PolarHBondContact O-N 3.33Å; E122-M126 HydrophobicContact CG-CG 4.43Å; E122-M126 WeakPolarHBondContact O-CB 3.37Å; E122-M126 WeakPolarHBondContact O-CG 3.41Å; E122-M126 PolarHBondContact O-N 2.84Å; E122-W154 HydrophobicContact CB-CD2 3.79Å; E122-W154 HydrophobicContact CB-CE3 4.11Å; E122-W154 HydrophobicContact CB-CG 4.23Å; E122-W154 HydrophobicContact CB-CH2 4.21Å; E122-W154 HydrophobicContact CB-CZ2 3.91Å; E122-W154 HydrophobicContact CB-CZ3 4.31Å; E122-W154 HydrophobicContact CG-CB 4.11Å; E122-W154 HydrophobicContact CG-CD2 3.71Å; E122-W154 HydrophobicContact CG-CE3 4.25Å; E122-W154 HydrophobicContact CG-CG 3.61Å; E122-W154 VanDerWaalsContact OE2-CD1 3.24Å; E122-W154 PolarHBondContact OE2-NE1 2.91Å; E122-W154 VanDerWaalsContact OE2-NE1 3.12Å
123A98.6Very high97.8Very high63 Ų6348.5 Ų48.552%0.52126%0.261SS..Hα-helixtrans-62.4-44.6177.800000112.1D119 V120 I121 A127D119-A123 VanDerWaalsContact O-CB 3.31Å; D119-A123 WeakPolarHBondContact O-CB 3.32Å; D119-A123 PolarHBondContact O-N 3.23Å; V120-A123 PolarHBondContact O-N 3.13Å; I121-A123 VanDerWaalsContact C-N 3.33Å; I121-A123 PolarHBondContact O-N 3.23Å; A123-A127 WeakPolarHBondContact O-CB 3.38Å; A123-A127 PolarHBondContact O-N 3.44Å
124H98.8Very high97.9Very high43 Ų4345.7 Ų45.720%0.19925%0.252CS..Hα-helixtrans-60.9-51175.1174.170.5000111.5W79 H80 V120 I121 M126 A127 C128W79-H124 HydrophobicContact CH2-CB 4.06Å; W79-H124 HydrophobicContact CZ3-CB 4.32Å; H80-H124 PolarHBondContact O-NE2 2.62Å; V120-H124 WeakPolarHBondContact O-CB 3.43Å; V120-H124 PolarHBondContact O-N 2.84Å; I121-H124 PolarHBondContact O-N 2.85Å; H124-M126 VanDerWaalsContact C-N 3.35Å; H124-M126 PolarHBondContact O-N 3.11Å; H124-A127 WeakPolarHBondContact O-CB 3.47Å; H124-A127 PolarHBondContact O-N 3.04Å; H124-A127 VanDerWaalsContact O-N 3.1Å; H124-C128 PolarHBondContact O-N 3.34Å
125F98.9Very high98Very high0 Ų043.8 Ų43.80%024%0.244CC..Hα-helixtrans-55.3-48.3178.3172.9-112.3000112.1Y44 I121 E122 A127 C128 I129 L153 W154 L157 F165 P261 D262Y44-F125 HydrophobicContact CE2-CB 4.33Å; Y44-F125 HydrophobicContact CE2-CD2 4.24Å; I121-F125 VanDerWaalsContact O-CB 3.29Å; I121-F125 WeakPolarHBondContact O-CB 3.28Å; I121-F125 PolarHBondContact O-N 3.11Å; E122-F125 PolarHBondContact O-N 3.33Å; F125-A127 VanDerWaalsContact C-N 3.33Å; F125-A127 PolarHBondContact O-N 2.92Å; F125-C128 PolarHBondContact O-N 3.21Å; F125-I129 HydrophobicContact CD1-CD1 4.28Å; F125-I129 HydrophobicContact CE1-CD1 3.59Å; F125-I129 HydrophobicContact CE2-CD1 3.84Å; F125-I129 HydrophobicContact CE2-CG1 4.31Å; F125-I129 HydrophobicContact CZ-CD1 3.35Å; F125-I129 HydrophobicContact CZ-CG1 4.3Å; F125-I129 PolarHBondContact O-N 3.02Å; F125-L153 HydrophobicContact CE1-CB 4.29Å; F125-W154 AromaticContact CD1-CE3 3.96Å; F125-W154 HydrophobicContact CD1-CE3 3.96Å; F125-W154 HydrophobicContact CG-CE3 4.43Å; F125-L157 HydrophobicContact CD1-CD2 4.45Å; F125-L157 HydrophobicContact CD2-CD2 3.67Å; F125-L157 HydrophobicContact CE1-CD2 4.37Å; F125-L157 HydrophobicContact CE2-CD2 3.58Å; F125-L157 HydrophobicContact CG-CD2 4.1Å; F125-L157 HydrophobicContact CZ-CB 4.41Å; F125-L157 HydrophobicContact CZ-CD2 3.92Å; F125-F165 HydrophobicContact CZ-CE2 4Å; F125-P261 HydrophobicContact CE2-CB 3.94Å; F125-P261 HydrophobicContact CZ-CB 4.35Å; F125-D262 HydrophobicContact CD2-CB 4.16Å; F125-D262 HydrophobicContact CE2-CB 4.26Å
126M98.7Very high98Very high17 Ų1743.1 Ų43.18%0.08424%0.24CC..Hα-helixtrans-69.1-29.8178.6-71.2-54.8-51.100113E122 H124 I129 K130 I142 H150E122-M126 HydrophobicContact CG-CG 4.43Å; E122-M126 WeakPolarHBondContact O-CB 3.37Å; E122-M126 WeakPolarHBondContact O-CG 3.41Å; E122-M126 PolarHBondContact O-N 2.84Å; H124-M126 VanDerWaalsContact C-N 3.35Å; H124-M126 PolarHBondContact O-N 3.11Å; M126-I129 HydrophobicContact SD-CD1 4.41Å; M126-K130 WeakPolarHBondContact O-CB 3.49Å; M126-K130 VanDerWaalsContact O-CG 3.25Å; M126-K130 WeakPolarHBondContact O-CG 3.36Å; M126-K130 PolarHBondContact O-N 3.46Å; M126-K130 VanDerWaalsContact O-N 3.09Å; M126-I142 HydrophobicContact CE-CD1 4.35Å; M126-H150 HydrophobicContact CE-CB 3.77Å; M126-H150 HydrophobicContact SD-CB 4.36Å
127A98.8Very high98.4Very high54 Ų5437 Ų3745%0.44621%0.211SC..Hα-helixtrans-64.9-43.917300000110.9A123 H124 F125 K130 E131A123-A127 WeakPolarHBondContact O-CB 3.38Å; A123-A127 PolarHBondContact O-N 3.44Å; H124-A127 WeakPolarHBondContact O-CB 3.47Å; H124-A127 PolarHBondContact O-N 3.04Å; H124-A127 VanDerWaalsContact O-N 3.1Å; F125-A127 VanDerWaalsContact C-N 3.33Å; F125-A127 PolarHBondContact O-N 2.92Å; A127-K130 PolarHBondContact O-N 3.03Å; A127-E131 WeakPolarHBondContact O-CB 3.48Å; A127-E131 PolarHBondContact O-N 3.31Å
128C98.9Very high98.5Very high4 Ų440.5 Ų40.53%0.02722%0.22CC..Hα-helixtrans-63.9-44.8175.9-66.50000112.3H124 F125 K130 E131 A132 D262 F264H124-C128 PolarHBondContact O-N 3.34Å; F125-C128 PolarHBondContact O-N 3.21Å; C128-K130 VanDerWaalsContact C-N 3.31Å; C128-K130 PolarHBondContact O-N 3.19Å; C128-E131 PolarHBondContact O-N 2.87Å; C128-A132 WeakPolarHBondContact O-CB 3.43Å; C128-A132 PolarHBondContact O-N 3.17Å; C128-D262 CarbonylContact C-O 3.48Å; C128-D262 HydrophobicContact CB-CB 3.76Å; C128-F264 HydrophobicContact CB-CD2 4.38Å; C128-F264 HydrophobicContact CB-CE2 4.38Å; C128-F264 WeakPolarHBondContact O-CE2 3.37Å
129I98.8Very high98.6Very high0 Ų038.5 Ų38.50%022%0.215CC..Hα-helixtrans-58-43.9175.4-71.7-176.5000111.7F125 M126 E131 A132 D133 I142 L153 L172F125-I129 HydrophobicContact CD1-CD1 4.28Å; F125-I129 HydrophobicContact CE1-CD1 3.59Å; F125-I129 HydrophobicContact CE2-CD1 3.84Å; F125-I129 HydrophobicContact CE2-CG1 4.31Å; F125-I129 HydrophobicContact CZ-CD1 3.35Å; F125-I129 HydrophobicContact CZ-CG1 4.3Å; F125-I129 PolarHBondContact O-N 3.02Å; M126-I129 HydrophobicContact SD-CD1 4.41Å; I129-E131 VanDerWaalsContact C-N 3.35Å; I129-A132 PolarHBondContact O-N 3Å; I129-D133 WeakPolarHBondContact O-CB 3.45Å; I129-D133 PolarHBondContact O-N 3.45Å; I129-I142 HydrophobicContact CG2-CD1 3.72Å; I129-I142 HydrophobicContact CG2-CG1 4.18Å; I129-L153 HydrophobicContact CD1-CD1 4.17Å; I129-L172 HydrophobicContact CG2-CD1 3.83Å
130K98.9Very high98.6Very high96 Ų9638.6 Ų38.642%0.41721%0.212SC..Hα-helixtrans-65-39.2178.7-74.3171.3-179.3178.20112.3M126 A127 C128 D133 A134 I142M126-K130 WeakPolarHBondContact O-CB 3.49Å; M126-K130 VanDerWaalsContact O-CG 3.25Å; M126-K130 WeakPolarHBondContact O-CG 3.36Å; M126-K130 PolarHBondContact O-N 3.46Å; M126-K130 VanDerWaalsContact O-N 3.09Å; A127-K130 PolarHBondContact O-N 3.03Å; C128-K130 VanDerWaalsContact C-N 3.31Å; C128-K130 PolarHBondContact O-N 3.19Å; K130-D133 PolarHBondContact O-N 2.65Å; K130-A134 WeakPolarHBondContact O-CB 3.31Å; K130-A134 PolarHBondContact O-N 2.91Å; K130-I142 HydrophobicContact CG-CG1 4.02Å; K130-I142 HydrophobicContact CG-CG2 4.28Å
131E98.9Very high98.6Very high69 Ų6937.6 Ų37.632%0.32221%0.206SC..Hα-helixtrans-64.5-45.5175.1-171.5-171.7159.500111.2A127 C128 I129 D133 A134 L135 R188 Q200 F264A127-E131 WeakPolarHBondContact O-CB 3.48Å; A127-E131 PolarHBondContact O-N 3.31Å; C128-E131 PolarHBondContact O-N 2.87Å; I129-E131 VanDerWaalsContact C-N 3.35Å; E131-D133 VanDerWaalsContact C-N 3.34Å; E131-D133 PolarHBondContact O-N 3.35Å; E131-A134 VanDerWaalsContact O-CB 3.31Å; E131-A134 WeakPolarHBondContact O-CB 3.39Å; E131-A134 PolarHBondContact O-N 2.83Å; E131-L135 PolarHBondContact O-N 2.93Å; E131-L135 VanDerWaalsContact O-N 3.15Å; E131-R188 IonicContact OE1-NH2 3.38Å; E131-R188 PolarHBondContact OE1-NH2 3Å; E131-R188 IonicContact OE2-NH2 2.73Å; E131-R188 PolarHBondContact OE2-NH2 3.04Å; E131-Q200 PolarHBondContact OE1-NE2 3.11Å; E131-Q200 PolarHBondContact OE1-OE1 2.8Å; E131-F264 HydrophobicContact CB-CE2 4.18Å; E131-F264 HydrophobicContact CB-CZ 4.21Å; E131-F264 HydrophobicContact CG-CE2 4.35Å; E131-F264 HydrophobicContact CG-CZ 3.88Å
132A98.9Very high98.6Very high0 Ų037.6 Ų37.60%021%0.206CC..Hα-helixtrans-60.8-43.6175.800000111.5C128 I129 A134 L135 K136 P186 N263 F264C128-A132 WeakPolarHBondContact O-CB 3.43Å; C128-A132 PolarHBondContact O-N 3.17Å; I129-A132 PolarHBondContact O-N 3Å; A132-A134 VanDerWaalsContact C-N 3.32Å; A132-A134 PolarHBondContact O-N 3.25Å; A132-L135 WeakPolarHBondContact O-CB 3.35Å; A132-L135 PolarHBondContact O-N 2.79Å; A132-K136 WeakPolarHBondContact O-CG 3.23Å; A132-K136 PolarHBondContact O-N 2.79Å; A132-P186 HydrophobicContact CB-CB 3.81Å; A132-P186 HydrophobicContact CB-CG 3.86Å; A132-N263 HydrophobicContact CB-CB 3.52Å; A132-F264 HydrophobicContact CB-CD2 3.99Å; A132-F264 HydrophobicContact CB-CE2 3.77Å; A132-F264 HydrophobicContact CB-CZ 4.42Å
133D98.8Very high98.5Very high0 Ų040.5 Ų40.50%022%0.223CC..Hα-helixtrans-69.5-28.6177-160.561.2000112.9I129 K130 E131 L135 K136 H137 K138 S139 V141 I142 L172I129-D133 WeakPolarHBondContact O-CB 3.45Å; I129-D133 PolarHBondContact O-N 3.45Å; K130-D133 PolarHBondContact O-N 2.65Å; E131-D133 VanDerWaalsContact C-N 3.34Å; E131-D133 PolarHBondContact O-N 3.35Å; D133-L135 VanDerWaalsContact C-N 3.29Å; D133-L135 PolarHBondContact O-N 3.38Å; D133-K136 PolarHBondContact O-N 3.47Å; D133-H137 CarbonylContact O-C 3.57Å; D133-H137 WeakPolarHBondContact O-CA 3.15Å; D133-H137 PolarHBondContact O-N 2.93Å; D133-H137 IonicContact OD1-CE1 3.91Å; D133-H137 IonicContact OD1-CG 3.91Å; D133-H137 IonicContact OD1-ND1 3.6Å; D133-H137 PolarHBondContact OD1-ND1 3.38Å; D133-K138 PolarHBondContact O-N 2.83Å; D133-K138 VanDerWaalsContact O-N 3.16Å; D133-S139 PolarHBondContact O-N 2.98Å; D133-S139 WeakPolarHBondContact OD2-CA 3.41Å; D133-V141 PolarHBondContact OD2-N 3.2Å; D133-I142 HydrophobicContact CB-CB 3.95Å; D133-I142 HydrophobicContact CB-CG2 3.8Å; D133-I142 WeakPolarHBondContact OD2-CB 3.4Å; D133-I142 VanDerWaalsContact OD2-CG2 3.27Å; D133-I142 WeakPolarHBondContact OD2-CG2 3.37Å; D133-I142 PolarHBondContact OD2-N 3.42Å; D133-L172 HydrophobicContact CB-CD2 4.26Å; D133-L172 WeakPolarHBondContact OD1-CD2 3.22Å
134A98.8Very high98.5Very high42 Ų4245.1 Ų45.135%0.34723%0.234SC..Hα-helixtrans-60.4-41.3169.900000111.5K130 E131 A132 K138 S139K130-A134 WeakPolarHBondContact O-CB 3.31Å; K130-A134 PolarHBondContact O-N 2.91Å; E131-A134 VanDerWaalsContact O-CB 3.31Å; E131-A134 WeakPolarHBondContact O-CB 3.39Å; E131-A134 PolarHBondContact O-N 2.83Å; A132-A134 VanDerWaalsContact C-N 3.32Å; A132-A134 PolarHBondContact O-N 3.25Å; A134-K138 VanDerWaalsContact O-CA 3.27Å; A134-K138 WeakPolarHBondContact O-CA 3.5Å; A134-K138 PolarHBondContact O-N 2.99Å; A134-K138 VanDerWaalsContact O-N 3.13Å; A134-S139 VanDerWaalsContact CA-OG 3.29Å; A134-S139 WeakPolarHBondContact CA-OG 3.49Å; A134-S139 VanDerWaalsContact CB-OG 3.28Å; A134-S139 WeakPolarHBondContact CB-OG 3.46Å
135L98.7Very high98.5Very high26 Ų2643.9 Ų43.914%0.13623%0.229CC..Hα-helixtrans-70.3-46.3176.9-65.2173.1000111.9E131 A132 D133 Y184 P186 L202 F264E131-L135 PolarHBondContact O-N 2.93Å; E131-L135 VanDerWaalsContact O-N 3.15Å; A132-L135 WeakPolarHBondContact O-CB 3.35Å; A132-L135 PolarHBondContact O-N 2.79Å; D133-L135 VanDerWaalsContact C-N 3.29Å; D133-L135 PolarHBondContact O-N 3.38Å; L135-Y184 PolarHBondContact O-N 3.08Å; L135-P186 HydrophobicContact CB-CG 4.27Å; L135-P186 HydrophobicContact CD1-CB 3.98Å; L135-P186 HydrophobicContact CD1-CG 4.46Å; L135-L202 HydrophobicContact CD2-CD2 3.73Å; L135-F264 HydrophobicContact CD1-CE1 4.29Å; L135-F264 HydrophobicContact CD1-CZ 4.33Å
136K98.4Very high98.4Very high3 Ų349.2 Ų49.21%0.01325%0.253CS..Hα-helixtrans-73.6-46.9-176.2-65.8-174.5-71.4-177.40113.2A132 D133 L172 M173 F182 R183 P186 N263A132-K136 WeakPolarHBondContact O-CG 3.23Å; A132-K136 PolarHBondContact O-N 2.79Å; D133-K136 PolarHBondContact O-N 3.47Å; K136-L172 WeakPolarHBondContact CE-O 3.31Å; K136-L172 PolarHBondContact NZ-O 2.95Å; K136-M173 PolarHBondContact NZ-SD 3.34Å; K136-M173 VanDerWaalsContact NZ-SD 3.39Å; K136-F182 HydrophobicContact CB-CB 4.09Å; K136-F182 HydrophobicContact CB-CD1 3.99Å; K136-F182 HydrophobicContact CB-CG 4.02Å; K136-F182 HydrophobicContact CD-CD1 3.84Å; K136-F182 HydrophobicContact CD-CD2 3.64Å; K136-F182 HydrophobicContact CD-CE1 3.86Å; K136-F182 HydrophobicContact CD-CE2 3.67Å; K136-F182 HydrophobicContact CD-CG 3.76Å; K136-F182 HydrophobicContact CD-CZ 3.81Å; K136-F182 HydrophobicContact CG-CB 3.96Å; K136-F182 HydrophobicContact CG-CD1 4.02Å; K136-F182 HydrophobicContact CG-CD2 3.88Å; K136-F182 HydrophobicContact CG-CE2 4.42Å; K136-F182 HydrophobicContact CG-CG 3.68Å; K136-R183 WeakPolarHBondContact O-CB 3.41Å; K136-R183 PolarHBondContact O-N 3.35Å; K136-R183 VanDerWaalsContact O-N 3.08Å; K136-P186 HydrophobicContact CD-CG 3.87Å; K136-P186 HydrophobicContact CG-CG 3.54Å; K136-N263 PolarHBondContact NZ-OD1 2.81Å
137H98Very high98.4Very high17 Ų1757.3 Ų57.38%0.07929%0.288CS..Hα-helixtrans-135.816-165-46.9117.4000113.8D133 S139 Q140 V141 L172 E174 F182D133-H137 CarbonylContact O-C 3.57Å; D133-H137 WeakPolarHBondContact O-CA 3.15Å; D133-H137 PolarHBondContact O-N 2.93Å; D133-H137 IonicContact OD1-CE1 3.91Å; D133-H137 IonicContact OD1-CG 3.91Å; D133-H137 IonicContact OD1-ND1 3.6Å; D133-H137 PolarHBondContact OD1-ND1 3.38Å; H137-S139 PolarHBondContact O-N 3.05Å; H137-Q140 VanDerWaalsContact O-CB 3.32Å; H137-Q140 WeakPolarHBondContact O-CB 3.23Å; H137-Q140 VanDerWaalsContact O-CG 3.25Å; H137-Q140 WeakPolarHBondContact O-CG 3.35Å; H137-Q140 PolarHBondContact O-N 3.33Å; H137-Q140 VanDerWaalsContact O-N 3.07Å; H137-V141 HydrophobicContact CB-CG2 3.89Å; H137-L172 PolarHBondContact CE1-O 2.91Å; H137-E174 PolarHBondContact NE2-O 3.17Å; H137-F182 AromaticContact CE1-CD1 3.99Å; H137-F182 AromaticContact CE1-CE1 3.99Å; H137-F182 AromaticContact NE2-CD1 3.39Å; H137-F182 WeakPolarHBondContact NE2-CD1 3.49Å; H137-F182 AromaticContact NE2-CE1 3.68Å
138K97.9Very high98.4Very high123 Ų12361.1 Ų61.154%0.53530%0.295SS..THydrogen-bonded Turntrans54.933.8-173.2-49.8171.7-175.8165.80112.7D133 A134 Q140 R183D133-K138 PolarHBondContact O-N 2.83Å; D133-K138 VanDerWaalsContact O-N 3.16Å; A134-K138 VanDerWaalsContact O-CA 3.27Å; A134-K138 WeakPolarHBondContact O-CA 3.5Å; A134-K138 PolarHBondContact O-N 2.99Å; A134-K138 VanDerWaalsContact O-N 3.13Å; K138-Q140 PolarHBondContact O-N 3.47Å; K138-R183 VanDerWaalsContact CE-CZ 3.42Å
139S98.1Very high98.3Very high28 Ų2861.7 Ų61.720%0.19630%0.297CS..THydrogen-bonded Turntrans65.912.3-178.1-49.40000114.7D133 A134 H137 N143D133-S139 PolarHBondContact O-N 2.98Å; D133-S139 WeakPolarHBondContact OD2-CA 3.41Å; A134-S139 VanDerWaalsContact CA-OG 3.29Å; A134-S139 WeakPolarHBondContact CA-OG 3.49Å; A134-S139 VanDerWaalsContact CB-OG 3.28Å; A134-S139 WeakPolarHBondContact CB-OG 3.46Å; H137-S139 PolarHBondContact O-N 3.05Å; S139-N143 WeakPolarHBondContact O-CB 3.35Å; S139-N143 PolarHBondContact O-N 2.86Å; S139-N143 PolarHBondContact O-ND2 3.3Å
140Q98Very high98.3Very high116 Ų11663.5 Ų63.554%0.54231%0.306SS..Hα-helixtrans-63.3-50.4-177.3-71.9177.2-31.100111.2H137 K138 N143 E144H137-Q140 VanDerWaalsContact O-CB 3.32Å; H137-Q140 WeakPolarHBondContact O-CB 3.23Å; H137-Q140 VanDerWaalsContact O-CG 3.25Å; H137-Q140 WeakPolarHBondContact O-CG 3.35Å; H137-Q140 PolarHBondContact O-N 3.33Å; H137-Q140 VanDerWaalsContact O-N 3.07Å; K138-Q140 PolarHBondContact O-N 3.47Å; Q140-N143 PolarHBondContact O-N 2.94Å; Q140-E144 WeakPolarHBondContact O-CG 3.44Å; Q140-E144 PolarHBondContact O-N 3.46Å; Q140-E144 VanDerWaalsContact O-N 3.07Å
141V98.1Very high98.3Very high33 Ų3365.1 Ų65.120%0.231%0.313CS..Hα-helixtrans-65.2-48.5-174.6-176.30000111D133 H137 N143 E144 M145 K171 L172D133-V141 PolarHBondContact OD2-N 3.2Å; H137-V141 HydrophobicContact CB-CG2 3.89Å; V141-N143 VanDerWaalsContact C-N 3.29Å; V141-N143 PolarHBondContact O-N 3.39Å; V141-E144 PolarHBondContact O-N 2.83Å; V141-M145 HydrophobicContact CG1-CE 3.91Å; V141-M145 WeakPolarHBondContact O-CG 3.45Å; V141-M145 PolarHBondContact O-N 3.39Å; V141-K171 HydrophobicContact CG1-CB 4.24Å; V141-K171 WeakPolarHBondContact CG1-O 3.35Å; V141-L172 HydrophobicContact CB-CD2 4.15Å; V141-L172 HydrophobicContact CG1-CD2 3.86Å
142I98.2Very high98.3Very high0 Ų064.6 Ų64.60%031%0.31CS..Hα-helixtrans-67-30.1-178.1-164.959.4000112.8M126 I129 K130 D133 M145 H150 L172M126-I142 HydrophobicContact CE-CD1 4.35Å; I129-I142 HydrophobicContact CG2-CD1 3.72Å; I129-I142 HydrophobicContact CG2-CG1 4.18Å; K130-I142 HydrophobicContact CG-CG1 4.02Å; K130-I142 HydrophobicContact CG-CG2 4.28Å; D133-I142 HydrophobicContact CB-CB 3.95Å; D133-I142 HydrophobicContact CB-CG2 3.8Å; D133-I142 WeakPolarHBondContact OD2-CB 3.4Å; D133-I142 VanDerWaalsContact OD2-CG2 3.27Å; D133-I142 WeakPolarHBondContact OD2-CG2 3.37Å; D133-I142 PolarHBondContact OD2-N 3.42Å; I142-M145 HydrophobicContact CD1-SD 3.91Å; I142-H150 PolarHBondContact O-NE2 2.73Å; I142-L172 HydrophobicContact CB-CD2 4.18Å; I142-L172 HydrophobicContact CD1-CD1 4.47Å; I142-L172 HydrophobicContact CD1-CD2 4.27Å
143N98.1Very high98.3Very high117 Ų11764.6 Ų64.663%0.62631%0.31SS*.Hα-helixtrans-80-25.2179.3-72.6-22.7000112.9S139 Q140 V141 M145S139-N143 WeakPolarHBondContact O-CB 3.35Å; S139-N143 PolarHBondContact O-N 2.86Å; S139-N143 PolarHBondContact O-ND2 3.3Å; Q140-N143 PolarHBondContact O-N 2.94Å; V141-N143 VanDerWaalsContact C-N 3.29Å; V141-N143 PolarHBondContact O-N 3.39Å; N143-M145 VanDerWaalsContact C-N 3.33Å
144E97.9Very high98.3Very high159 Ų15965 Ų6574%0.74331%0.312SS*.Hα-helixtrans-77.5-19.8172.7-73.7175-170.700112.8Q140 V141Q140-E144 WeakPolarHBondContact O-CG 3.44Å; Q140-E144 PolarHBondContact O-N 3.46Å; Q140-E144 VanDerWaalsContact O-N 3.07Å; V141-E144 PolarHBondContact O-N 2.83Å
145M98.1Very high98.3Very high18 Ų1865.9 Ų65.99%0.08931%0.31CS..SBendtrans-66.5146.9175.9-71.5-170.6-170.800112.9V141 I142 N143 D149 I168 K171 L172V141-M145 HydrophobicContact CG1-CE 3.91Å; V141-M145 WeakPolarHBondContact O-CG 3.45Å; V141-M145 PolarHBondContact O-N 3.39Å; I142-M145 HydrophobicContact CD1-SD 3.91Å; N143-M145 VanDerWaalsContact C-N 3.33Å; M145-D149 HydrophobicContact CB-CB 4.08Å; M145-D149 HydrophobicContact CG-CB 4.4Å; M145-D149 HydrophobicContact SD-CB 4.28Å; M145-I168 HydrophobicContact CE-CG2 4.01Å; M145-I168 HydrophobicContact SD-CG2 3.7Å; M145-K171 HydrophobicContact CE-CB 3.8Å; M145-K171 HydrophobicContact CE-CD 4.14Å; M145-L172 HydrophobicContact CE-CD1 4.18Å; M145-L172 HydrophobicContact CE-CD2 3.78Å; M145-L172 HydrophobicContact CE-CG 3.6Å
146Q98.1Very high98.3Very high111 Ų11164.7 Ų64.752%0.51930%0.303SS..  trans-80.5156.9175-63.2-176.7-0.600110.9K148 D149 H150Q146-K148 HydrophobicContact CB-CG 4.01Å; Q146-K148 PolarHBondContact O-N 3.42Å; Q146-D149 PolarHBondContact N-OD2 2.71Å; Q146-D149 WeakPolarHBondContact O-CA 3.33Å; Q146-D149 VanDerWaalsContact O-CB 3.29Å; Q146-D149 WeakPolarHBondContact O-CB 3.49Å; Q146-D149 PolarHBondContact O-N 2.97Å; Q146-H150 PolarHBondContact O-N 2.73Å
147K97.6Very high98.3Very high188 Ų18864.9 Ų64.982%0.81730%0.304SS*.Hα-helixtrans-54-31.5176.7-172.1175.2-178.2177.30113.5D149 K151K147-D149 VanDerWaalsContact C-N 3.3Å; K147-D149 PolarHBondContact O-N 3.41Å; K147-K151 PolarHBondContact O-N 3.23Å
148K98.2Very high98.3Very high133 Ų13366.8 Ų66.858%0.57831%0.314SS*.Hα-helixtrans-65.9-32.1175.271.1-177.7-175.2-167.70112.6Q146 K151 Q152Q146-K148 HydrophobicContact CB-CG 4.01Å; Q146-K148 PolarHBondContact O-N 3.42Å; K148-K151 PolarHBondContact O-N 2.84Å; K148-Q152 WeakPolarHBondContact O-CB 3.44Å; K148-Q152 PolarHBondContact O-N 3.04Å
149D98.6Very high98.4Very high16 Ų1664.4 Ų64.49%0.08631%0.307CS..Hα-helixtrans-73-42.6179.9-56.3-28000109.4M145 Q146 K147 K151 Q152 L153 I168M145-D149 HydrophobicContact CB-CB 4.08Å; M145-D149 HydrophobicContact CG-CB 4.4Å; M145-D149 HydrophobicContact SD-CB 4.28Å; Q146-D149 PolarHBondContact N-OD2 2.71Å; Q146-D149 WeakPolarHBondContact O-CA 3.33Å; Q146-D149 VanDerWaalsContact O-CB 3.29Å; Q146-D149 WeakPolarHBondContact O-CB 3.49Å; Q146-D149 PolarHBondContact O-N 2.97Å; K147-D149 VanDerWaalsContact C-N 3.3Å; K147-D149 PolarHBondContact O-N 3.41Å; D149-K151 VanDerWaalsContact C-N 3.35Å; D149-K151 PolarHBondContact O-N 3.04Å; D149-Q152 WeakPolarHBondContact O-CB 3.4Å; D149-Q152 PolarHBondContact O-N 3.33Å; D149-Q152 VanDerWaalsContact O-N 3.12Å; D149-L153 PolarHBondContact O-N 3.31Å; D149-I168 HydrophobicContact CB-CD1 4.19Å; D149-I168 HydrophobicContact CB-CG2 3.97Å
150H98.6Very high98.4Very high38 Ų3866.2 Ų66.218%0.17631%0.314CS..Hα-helixtrans-58.2-46.9171.6-61.8174.6000111.3M126 I142 Q146 Q152 L153 W154M126-H150 HydrophobicContact CE-CB 3.77Å; M126-H150 HydrophobicContact SD-CB 4.36Å; I142-H150 PolarHBondContact O-NE2 2.73Å; Q146-H150 PolarHBondContact O-N 2.73Å; H150-Q152 VanDerWaalsContact C-N 3.27Å; H150-Q152 PolarHBondContact O-N 3.21Å; H150-L153 WeakPolarHBondContact O-CB 3.48Å; H150-L153 PolarHBondContact O-N 3.34Å; H150-W154 PolarHBondContact O-N 3.16Å; H150-W154 VanDerWaalsContact O-N 3.16Å
151K98.5Very high98.4Very high131 Ų13166.2 Ų66.257%0.5731%0.312SS*.Hα-helixtrans-62.4-35.2175.7-171.1173.1-175175.50112K147 K148 D149 W154 M155K147-K151 PolarHBondContact O-N 3.23Å; K148-K151 PolarHBondContact O-N 2.84Å; D149-K151 VanDerWaalsContact C-N 3.35Å; D149-K151 PolarHBondContact O-N 3.04Å; K151-W154 PolarHBondContact O-N 3.26Å; K151-M155 HydrophobicContact CG-CG 4.13Å; K151-M155 WeakPolarHBondContact O-CB 3.42Å; K151-M155 WeakPolarHBondContact O-CG 3.43Å; K151-M155 PolarHBondContact O-N 3.46Å
152Q98.8Very high98.4Very high57 Ų5765 Ų6527%0.26630%0.304SS..Hα-helixtrans-69.1-38178.1-178.6172.8-27.400112.3K148 D149 H150 G156 Q164 I168K148-Q152 WeakPolarHBondContact O-CB 3.44Å; K148-Q152 PolarHBondContact O-N 3.04Å; D149-Q152 WeakPolarHBondContact O-CB 3.4Å; D149-Q152 PolarHBondContact O-N 3.33Å; D149-Q152 VanDerWaalsContact O-N 3.12Å; H150-Q152 VanDerWaalsContact C-N 3.27Å; H150-Q152 PolarHBondContact O-N 3.21Å; Q152-G156 PolarHBondContact O-N 3.18Å; Q152-Q164 HydrophobicContact CG-CG 3.61Å; Q152-Q164 WeakPolarHBondContact CG-O 3.27Å; Q152-Q164 PolarHBondContact NE2-O 3.35Å; Q152-I168 HydrophobicContact CB-CG1 4.01Å; Q152-I168 HydrophobicContact CG-CG1 3.79Å
153L98.8Very high98.5Very high0 Ų069.8 Ų69.80%033%0.326CS..Hα-helixtrans-57.6-52.2170.8-70.3165.7000110.5F125 I129 D149 H150 G156 L157 F165 I168 N169 L172F125-L153 HydrophobicContact CE1-CB 4.29Å; I129-L153 HydrophobicContact CD1-CD1 4.17Å; D149-L153 PolarHBondContact O-N 3.31Å; H150-L153 WeakPolarHBondContact O-CB 3.48Å; H150-L153 PolarHBondContact O-N 3.34Å; L153-G156 PolarHBondContact O-N 3.1Å; L153-L157 PolarHBondContact O-N 3.08Å; L153-L157 VanDerWaalsContact O-N 3.1Å; L153-F165 HydrophobicContact CB-CD2 4.4Å; L153-F165 HydrophobicContact CB-CE2 4.26Å; L153-F165 HydrophobicContact CD2-CD2 3.87Å; L153-F165 HydrophobicContact CD2-CE2 3.58Å; L153-F165 HydrophobicContact CD2-CZ 4.17Å; L153-F165 WeakPolarHBondContact O-CD2 3.36Å; L153-I168 HydrophobicContact CD1-CG2 3.93Å; L153-I168 HydrophobicContact CD2-CB 3.81Å; L153-I168 HydrophobicContact CD2-CG2 3.84Å; L153-I168 HydrophobicContact CG-CB 4.01Å; L153-I168 HydrophobicContact CG-CG2 3.69Å; L153-N169 HydrophobicContact CD2-CB 3.86Å; L153-L172 HydrophobicContact CD1-CD1 4.22Å
154W98.8Very high98.5Very high9 Ų967.6 Ų67.63%0.03431%0.312CS..Hα-helixtrans-59.4-50.5178.5168.8-123.7000112.9L47 K118 I121 E122 F125 H150 K151 G156 L157 Q158L47-W154 HydrophobicContact CD1-CH2 3.65Å; L47-W154 HydrophobicContact CD1-CZ2 4.13Å; L47-W154 HydrophobicContact CD2-CH2 3.74Å; L47-W154 HydrophobicContact CD2-CZ3 3.86Å; L47-W154 HydrophobicContact CG-CH2 4.36Å; K118-W154 HydrophobicContact CB-CZ2 4.39Å; I121-W154 HydrophobicContact CB-CH2 4Å; I121-W154 HydrophobicContact CG2-CH2 3.87Å; I121-W154 HydrophobicContact CG2-CZ3 4.05Å; E122-W154 HydrophobicContact CB-CD2 3.79Å; E122-W154 HydrophobicContact CB-CE3 4.11Å; E122-W154 HydrophobicContact CB-CG 4.23Å; E122-W154 HydrophobicContact CB-CH2 4.21Å; E122-W154 HydrophobicContact CB-CZ2 3.91Å; E122-W154 HydrophobicContact CB-CZ3 4.31Å; E122-W154 HydrophobicContact CG-CB 4.11Å; E122-W154 HydrophobicContact CG-CD2 3.71Å; E122-W154 HydrophobicContact CG-CE3 4.25Å; E122-W154 HydrophobicContact CG-CG 3.61Å; E122-W154 VanDerWaalsContact OE2-CD1 3.24Å; E122-W154 PolarHBondContact OE2-NE1 2.91Å; E122-W154 VanDerWaalsContact OE2-NE1 3.12Å; F125-W154 AromaticContact CD1-CE3 3.96Å; F125-W154 HydrophobicContact CD1-CE3 3.96Å; F125-W154 HydrophobicContact CG-CE3 4.43Å; H150-W154 PolarHBondContact O-N 3.16Å; H150-W154 VanDerWaalsContact O-N 3.16Å; K151-W154 PolarHBondContact O-N 3.26Å; W154-G156 PolarHBondContact O-N 3.31Å; W154-L157 HydrophobicContact CE3-CD2 4.47Å; W154-L157 HydrophobicContact CZ3-CD2 4.35Å; W154-L157 PolarHBondContact O-N 2.9Å; W154-L157 VanDerWaalsContact O-N 3.16Å; W154-Q158 HydrophobicContact CD2-CB 4.46Å; W154-Q158 HydrophobicContact CZ2-CB 4.3Å; W154-Q158 HydrophobicContact CZ2-CG 4.41Å; W154-Q158 WeakPolarHBondContact O-CB 3.48Å; W154-Q158 PolarHBondContact O-N 3.42Å
155M98.7Very high98.5Very high61 Ų6160 Ų6030%0.328%0.277SS..Hα-helixtrans-63.2-32.7179.5-71.5-63.8-69.800112.2K151 Q158 N159K151-M155 HydrophobicContact CG-CG 4.13Å; K151-M155 WeakPolarHBondContact O-CB 3.42Å; K151-M155 WeakPolarHBondContact O-CG 3.43Å; K151-M155 PolarHBondContact O-N 3.46Å; M155-Q158 PolarHBondContact SD-OE1 2.87Å; M155-Q158 VanDerWaalsContact SD-OE1 3.42Å; M155-N159 WeakPolarHBondContact CE-ND2 3.27Å; M155-N159 WeakPolarHBondContact O-CB 3.35Å; M155-N159 PolarHBondContact O-N 3.31Å; M155-N159 VanDerWaalsContact O-N 3.11Å; M155-N159 PolarHBondContact O-ND2 3.08Å
156G98.8Very high98.5Very high0 Ų061 Ų610%028%0.28CS..Hα-helixtrans-61.3-48173.300000111.9W12 Q152 L153 W154 D160 K161W12-G156 WeakPolarHBondContact CZ2-O 3.4Å; Q152-G156 PolarHBondContact O-N 3.18Å; L153-G156 PolarHBondContact O-N 3.1Å; W154-G156 PolarHBondContact O-N 3.31Å; G156-D160 PolarHBondContact O-N 2.98Å; G156-K161 PolarHBondContact O-N 2.9Å
157L98.8Very high98.6Very high7 Ų757.4 Ų57.44%0.03727%0.27CS..Hα-helixtrans-64.8-53.2175.217762.7000112I42 Y44 L47 F125 L153 W154 N159 D160 P261I42-L157 HydrophobicContact CD1-CD1 4.36Å; Y44-L157 HydrophobicContact CD2-CD2 4.46Å; Y44-L157 HydrophobicContact CE2-CD2 4Å; L47-L157 HydrophobicContact CD2-CG 4.44Å; F125-L157 HydrophobicContact CD1-CD2 4.45Å; F125-L157 HydrophobicContact CD2-CD2 3.67Å; F125-L157 HydrophobicContact CE1-CD2 4.37Å; F125-L157 HydrophobicContact CE2-CD2 3.58Å; F125-L157 HydrophobicContact CG-CD2 4.1Å; F125-L157 HydrophobicContact CZ-CB 4.41Å; F125-L157 HydrophobicContact CZ-CD2 3.92Å; L153-L157 PolarHBondContact O-N 3.08Å; L153-L157 VanDerWaalsContact O-N 3.1Å; W154-L157 HydrophobicContact CE3-CD2 4.47Å; W154-L157 HydrophobicContact CZ3-CD2 4.35Å; W154-L157 PolarHBondContact O-N 2.9Å; W154-L157 VanDerWaalsContact O-N 3.16Å; L157-N159 VanDerWaalsContact C-N 3.26Å; L157-N159 PolarHBondContact O-N 2.88Å; L157-D160 PolarHBondContact O-N 2.96Å; L157-P261 HydrophobicContact CD1-CB 4.16Å; L157-P261 HydrophobicContact CD1-CG 3.99Å
158Q98.5Very high98.6Very high58 Ų5849 Ų4927%0.27123%0.233SC..Hα-helixtrans-58.5-36.5-174.5179.4-179.64400112.9L47 W154 M155L47-Q158 HydrophobicContact CD1-CG 4.14Å; W154-Q158 HydrophobicContact CD2-CB 4.46Å; W154-Q158 HydrophobicContact CZ2-CB 4.3Å; W154-Q158 HydrophobicContact CZ2-CG 4.41Å; W154-Q158 WeakPolarHBondContact O-CB 3.48Å; W154-Q158 PolarHBondContact O-N 3.42Å; M155-Q158 PolarHBondContact SD-OE1 2.87Å; M155-Q158 VanDerWaalsContact SD-OE1 3.42Å
159N98.4Very high98.6Very high73 Ų7342.7 Ų42.739%0.3921%0.206SC..THydrogen-bonded Turntrans-104.111.4-175.2-57.1-66.2000113.5M155 L157 K161M155-N159 WeakPolarHBondContact CE-ND2 3.27Å; M155-N159 WeakPolarHBondContact O-CB 3.35Å; M155-N159 PolarHBondContact O-N 3.31Å; M155-N159 VanDerWaalsContact O-N 3.11Å; M155-N159 PolarHBondContact O-ND2 3.08Å; L157-N159 VanDerWaalsContact C-N 3.26Å; L157-N159 PolarHBondContact O-N 2.88Å; N159-K161 VanDerWaalsContact C-N 3.3Å; N159-K161 HydrophobicContact CB-CG 3.94Å; N159-K161 WeakPolarHBondContact O-CG 3.23Å; N159-K161 PolarHBondContact O-N 3.12Å
160D98.4Very high98.6Very high65 Ų6548.9 Ų48.935%0.34823%0.228SC..THydrogen-bonded Turntrans53.845.1-179.6-167.425.3000112.3W12 R15 G156 L157W12-D160 PolarHBondContact NE1-OD1 3.08Å; R15-D160 IonicContact CZ-OD2 2.72Å; R15-D160 IonicContact NH2-OD1 2.64Å; R15-D160 PolarHBondContact NH2-OD1 2.92Å; R15-D160 IonicContact NH2-OD2 3.4Å; R15-D160 PolarHBondContact NH2-OD2 2.91Å; G156-D160 PolarHBondContact O-N 2.98Å; L157-D160 PolarHBondContact O-N 2.96Å
161K98.8Very high98.6Very high116 Ų11651 Ų5150%0.50424%0.237SC..  trans-107.783.8-177.5-61.6-56.9-179-175.20111.5G156 N159 E163 Q164 F165G156-K161 PolarHBondContact O-N 2.9Å; N159-K161 VanDerWaalsContact C-N 3.3Å; N159-K161 HydrophobicContact CB-CG 3.94Å; N159-K161 WeakPolarHBondContact O-CG 3.23Å; N159-K161 PolarHBondContact O-N 3.12Å; K161-E163 PolarHBondContact O-N 2.92Å; K161-Q164 HydrophobicContact CB-CB 3.71Å; K161-Q164 WeakPolarHBondContact O-CB 3.46Å; K161-Q164 PolarHBondContact O-N 3.46Å; K161-Q164 VanDerWaalsContact O-N 3.11Å; K161-F165 PolarHBondContact O-N 3.05Å
162F98.7Very high98.6Very high8 Ų844.8 Ų44.84%0.03521%0.21CC..Hα-helixtrans-44.8-57178175.4-93.2000113.9L8 R9 W12 F13 Q164 F165 W166L8-F162 HydrophobicContact CB-CE2 3.95Å; L8-F162 HydrophobicContact CB-CZ 4.06Å; R9-F162 HydrophobicContact CB-CE2 4.48Å; R9-F162 HydrophobicContact CG-CD1 4.29Å; R9-F162 HydrophobicContact CG-CD2 4.28Å; R9-F162 HydrophobicContact CG-CE1 3.8Å; R9-F162 HydrophobicContact CG-CE2 3.77Å; R9-F162 HydrophobicContact CG-CZ 3.52Å; W12-F162 HydrophobicContact CB-CD2 3.72Å; W12-F162 HydrophobicContact CB-CE2 4.28Å; W12-F162 HydrophobicContact CD2-CB 4.21Å; W12-F162 AromaticContact CD2-CD2 3.92Å; W12-F162 HydrophobicContact CD2-CD2 3.92Å; W12-F162 HydrophobicContact CE3-CD2 4.32Å; W12-F162 HydrophobicContact CG-CB 4.14Å; W12-F162 AromaticContact CG-CD2 3.64Å; W12-F162 HydrophobicContact CG-CD2 3.64Å; W12-F162 HydrophobicContact CG-CG 4.38Å; F13-F162 HydrophobicContact CE2-CB 4.09Å; F13-F162 HydrophobicContact CE2-CG 4.36Å; F13-F162 HydrophobicContact CZ-CB 3.79Å; F162-Q164 VanDerWaalsContact C-N 3.29Å; F162-Q164 PolarHBondContact O-N 3.41Å; F162-F165 PolarHBondContact O-N 3.18Å; F162-W166 AromaticContact CD2-CD1 3.37Å; F162-W166 AromaticContact CD2-NE1 3.74Å; F162-W166 AromaticContact CE2-CD1 3.14Å; F162-W166 HydrophobicContact CE2-CG 4.1Å; F162-W166 AromaticContact CE2-NE1 3.32Å; F162-W166 VanDerWaalsContact CE2-NE1 3.32Å; F162-W166 AromaticContact CZ-CD1 3.58Å; F162-W166 HydrophobicContact CZ-CG 4.14Å; F162-W166 PolarHBondContact O-N 3.41Å
163E98.5Very high98.5Very high100 Ų10043 Ų4347%0.46720%0.201SC..Hα-helixtrans-65.7-33.5-175.7-63.3-65.1165.200111.9K5 R9 K161 A167K5-E163 IonicContact NZ-OE1 2.71Å; K5-E163 PolarHBondContact NZ-OE1 2.8Å; K5-E163 IonicContact NZ-OE2 3.97Å; R9-E163 IonicContact NH1-OE1 3.49Å; K161-E163 PolarHBondContact O-N 2.92Å; E163-A167 VanDerWaalsContact O-CB 3.26Å; E163-A167 WeakPolarHBondContact O-CB 3.43Å; E163-A167 PolarHBondContact O-N 2.87Å; E163-A167 VanDerWaalsContact O-N 3.08Å
164Q98.6Very high98.3Very high71 Ų7148.4 Ų48.433%0.33223%0.227SC..Hα-helixtrans-66.4-43.2176.4-178.7178.39.900111.3Q152 K161 F162Q152-Q164 HydrophobicContact CG-CG 3.61Å; Q152-Q164 WeakPolarHBondContact CG-O 3.27Å; Q152-Q164 PolarHBondContact NE2-O 3.35Å; K161-Q164 HydrophobicContact CB-CB 3.71Å; K161-Q164 WeakPolarHBondContact O-CB 3.46Å; K161-Q164 PolarHBondContact O-N 3.46Å; K161-Q164 VanDerWaalsContact O-N 3.11Å; F162-Q164 VanDerWaalsContact C-N 3.29Å; F162-Q164 PolarHBondContact O-N 3.41Å
165F98.8Very high98Very high1 Ų151.9 Ų51.90%0.00424%0.241CC..Hα-helixtrans-66.1-54.4177.8178.8-98.7000111.4W12 F125 L153 K161 F162 A167 I168 N169 P261W12-F165 HydrophobicContact CE3-CD1 4.11Å; W12-F165 HydrophobicContact CH2-CB 3.48Å; W12-F165 VanDerWaalsContact CH2-CB 3.48Å; W12-F165 AromaticContact CH2-CD1 3.94Å; W12-F165 HydrophobicContact CH2-CD1 3.94Å; W12-F165 HydrophobicContact CH2-CD2 4.11Å; W12-F165 AromaticContact CH2-CG 3.56Å; W12-F165 HydrophobicContact CH2-CG 3.56Å; W12-F165 HydrophobicContact CZ2-CB 4.35Å; W12-F165 HydrophobicContact CZ3-CB 3.75Å; W12-F165 AromaticContact CZ3-CD1 3.28Å; W12-F165 HydrophobicContact CZ3-CD1 3.28Å; W12-F165 HydrophobicContact CZ3-CD2 4.12Å; W12-F165 AromaticContact CZ3-CE1 3.87Å; W12-F165 HydrophobicContact CZ3-CE1 3.87Å; W12-F165 AromaticContact CZ3-CG 3.43Å; W12-F165 HydrophobicContact CZ3-CG 3.43Å; W12-F165 VanDerWaalsContact CZ3-CG 3.43Å; F125-F165 HydrophobicContact CZ-CE2 4Å; L153-F165 HydrophobicContact CB-CD2 4.4Å; L153-F165 HydrophobicContact CB-CE2 4.26Å; L153-F165 HydrophobicContact CD2-CD2 3.87Å; L153-F165 HydrophobicContact CD2-CE2 3.58Å; L153-F165 HydrophobicContact CD2-CZ 4.17Å; L153-F165 WeakPolarHBondContact O-CD2 3.36Å; K161-F165 PolarHBondContact O-N 3.05Å; F162-F165 PolarHBondContact O-N 3.18Å; F165-A167 VanDerWaalsContact C-N 3.3Å; F165-A167 PolarHBondContact O-N 3.33Å; F165-I168 PolarHBondContact O-N 3.01Å; F165-I168 VanDerWaalsContact O-N 3.08Å; F165-N169 HydrophobicContact CD1-CB 3.81Å; F165-N169 HydrophobicContact CE1-CB 3.38Å; F165-N169 WeakPolarHBondContact CE1-ND2 3.49Å; F165-N169 HydrophobicContact CE2-CB 4.35Å; F165-N169 HydrophobicContact CG-CB 4.49Å; F165-N169 HydrophobicContact CZ-CB 3.67Å; F165-N169 VanDerWaalsContact CZ-CG 3.44Å; F165-N169 PolarHBondContact O-N 3.17Å; F165-P261 HydrophobicContact CE1-CB 4.22Å; F165-P261 HydrophobicContact CE2-CB 3.97Å; F165-P261 HydrophobicContact CZ-CB 3.66Å; F165-P261 WeakPolarHBondContact CZ-O 3.29Å
166W98.4Very high97.3Very high37 Ų3751.3 Ų51.314%0.1424%0.242CC..Hα-helixtrans-70.1-22-174.2-82.2103.4000114.4L8 F162 I168 N169 R170 M173L8-W166 HydrophobicContact CD1-CD2 4.29Å; L8-W166 HydrophobicContact CD1-CE3 4.28Å; L8-W166 HydrophobicContact CD1-CH2 4.11Å; L8-W166 HydrophobicContact CD1-CZ2 4.14Å; L8-W166 HydrophobicContact CD1-CZ3 4.18Å; L8-W166 HydrophobicContact CD2-CH2 3.62Å; L8-W166 HydrophobicContact CD2-CZ2 3.5Å; L8-W166 HydrophobicContact CD2-CZ3 4.46Å; L8-W166 HydrophobicContact CG-CH2 4.47Å; L8-W166 HydrophobicContact CG-CZ2 4.27Å; F162-W166 AromaticContact CD2-CD1 3.37Å; F162-W166 AromaticContact CD2-NE1 3.74Å; F162-W166 AromaticContact CE2-CD1 3.14Å; F162-W166 HydrophobicContact CE2-CG 4.1Å; F162-W166 AromaticContact CE2-NE1 3.32Å; F162-W166 VanDerWaalsContact CE2-NE1 3.32Å; F162-W166 AromaticContact CZ-CD1 3.58Å; F162-W166 HydrophobicContact CZ-CG 4.14Å; F162-W166 PolarHBondContact O-N 3.41Å; W166-I168 PolarHBondContact O-N 3.3Å; W166-N169 HydrophobicContact CD2-CB 4.35Å; W166-N169 HydrophobicContact CE3-CB 4.01Å; W166-N169 VanDerWaalsContact CH2-ND2 3.27Å; W166-N169 WeakPolarHBondContact CH2-ND2 3.32Å; W166-N169 HydrophobicContact CZ3-CB 4.36Å; W166-N169 WeakPolarHBondContact CZ3-ND2 3.28Å; W166-R170 WeakPolarHBondContact O-CB 3.26Å; W166-R170 VanDerWaalsContact O-CG 3.27Å; W166-R170 WeakPolarHBondContact O-CG 3.19Å; W166-R170 PolarHBondContact O-N 3.5Å; W166-R170 VanDerWaalsContact O-N 3.14Å; W166-M173 HydrophobicContact CH2-CG 4.28Å; W166-M173 HydrophobicContact CZ3-CG 3.93Å
167A98.3Very high96.4Very high37 Ų3757.5 Ų57.531%0.30628%0.282SS..Hα-helixtrans-56.1-30.8169.800000112.9E163 F165 R170E163-A167 VanDerWaalsContact O-CB 3.26Å; E163-A167 WeakPolarHBondContact O-CB 3.43Å; E163-A167 PolarHBondContact O-N 2.87Å; E163-A167 VanDerWaalsContact O-N 3.08Å; F165-A167 VanDerWaalsContact C-N 3.3Å; F165-A167 PolarHBondContact O-N 3.33Å; A167-R170 PolarHBondContact O-NE 2.94Å
168I98.6Very high95.6Very high10 Ų1064.5 Ų64.55%0.05131%0.314CS..Hα-helixtrans-100.1-47.3175.7-53.3-56000111.1M145 D149 Q152 L153 F165 W166 R170 K171M145-I168 HydrophobicContact CE-CG2 4.01Å; M145-I168 HydrophobicContact SD-CG2 3.7Å; D149-I168 HydrophobicContact CB-CD1 4.19Å; D149-I168 HydrophobicContact CB-CG2 3.97Å; Q152-I168 HydrophobicContact CB-CG1 4.01Å; Q152-I168 HydrophobicContact CG-CG1 3.79Å; L153-I168 HydrophobicContact CD1-CG2 3.93Å; L153-I168 HydrophobicContact CD2-CB 3.81Å; L153-I168 HydrophobicContact CD2-CG2 3.84Å; L153-I168 HydrophobicContact CG-CB 4.01Å; L153-I168 HydrophobicContact CG-CG2 3.69Å; F165-I168 PolarHBondContact O-N 3.01Å; F165-I168 VanDerWaalsContact O-N 3.08Å; W166-I168 PolarHBondContact O-N 3.3Å; I168-R170 PolarHBondContact O-N 3.22Å; I168-R170 VanDerWaalsContact O-N 3.16Å; I168-K171 WeakPolarHBondContact O-CB 3.5Å; I168-K171 PolarHBondContact O-N 3.12Å
169N98.7Very high94.7Very high1 Ų165.7 Ų65.71%0.00532%0.323CS..Hα-helixtrans-60.9-28.9-173-165.861.4000113.4L153 F165 W166 K171 L172 M173 N263L153-N169 HydrophobicContact CD2-CB 3.86Å; F165-N169 HydrophobicContact CD1-CB 3.81Å; F165-N169 HydrophobicContact CE1-CB 3.38Å; F165-N169 WeakPolarHBondContact CE1-ND2 3.49Å; F165-N169 HydrophobicContact CE2-CB 4.35Å; F165-N169 HydrophobicContact CG-CB 4.49Å; F165-N169 HydrophobicContact CZ-CB 3.67Å; F165-N169 VanDerWaalsContact CZ-CG 3.44Å; F165-N169 PolarHBondContact O-N 3.17Å; W166-N169 HydrophobicContact CD2-CB 4.35Å; W166-N169 HydrophobicContact CE3-CB 4.01Å; W166-N169 VanDerWaalsContact CH2-ND2 3.27Å; W166-N169 WeakPolarHBondContact CH2-ND2 3.32Å; W166-N169 HydrophobicContact CZ3-CB 4.36Å; W166-N169 WeakPolarHBondContact CZ3-ND2 3.28Å; N169-K171 PolarHBondContact O-N 3.26Å; N169-L172 WeakPolarHBondContact O-CA 3.35Å; N169-L172 WeakPolarHBondContact O-CB 3.25Å; N169-L172 PolarHBondContact O-N 3.3Å; N169-M173 PolarHBondContact O-N 3.23Å; N169-N263 PolarHBondContact OD1-ND2 3.17Å
170R97.8Very high94.1Very high147 Ų14765.8 Ų65.856%0.55533%0.329SS*.G310 helixtrans-54-35.217567.5-173.7177.81585.9113.2W166 A167 I168 L172 M173 E174W166-R170 WeakPolarHBondContact O-CB 3.26Å; W166-R170 VanDerWaalsContact O-CG 3.27Å; W166-R170 WeakPolarHBondContact O-CG 3.19Å; W166-R170 PolarHBondContact O-N 3.5Å; W166-R170 VanDerWaalsContact O-N 3.14Å; A167-R170 PolarHBondContact O-NE 2.94Å; I168-R170 PolarHBondContact O-N 3.22Å; I168-R170 VanDerWaalsContact O-N 3.16Å; R170-L172 PolarHBondContact O-N 3.03Å; R170-M173 CarbonylContact O-C 3.5Å; R170-M173 PolarHBondContact O-N 3.35Å; R170-E174 WeakPolarHBondContact O-CG 3.34Å; R170-E174 PolarHBondContact O-N 3.38Å; R170-E174 VanDerWaalsContact O-N 3.13Å
171K98Very high93.9Very high82 Ų8262.9 Ų62.936%0.35731%0.314SS..G310 helixtrans-62.9-34.3176.7-60.6179.3-179.5-179.30111.8V141 M145 I168 N169 M173V141-K171 HydrophobicContact CG1-CB 4.24Å; V141-K171 WeakPolarHBondContact CG1-O 3.35Å; M145-K171 HydrophobicContact CE-CB 3.8Å; M145-K171 HydrophobicContact CE-CD 4.14Å; I168-K171 WeakPolarHBondContact O-CB 3.5Å; I168-K171 PolarHBondContact O-N 3.12Å; N169-K171 PolarHBondContact O-N 3.26Å; K171-M173 PolarHBondContact O-N 2.85Å
172L98.4Very high93.8Very high0 Ų057.6 Ų57.60%029%0.291CS..G310 helixtrans-77.1-10.1176.3-63.2165.6000112.2I129 D133 K136 H137 V141 I142 M145 L153 N169 R170 N263I129-L172 HydrophobicContact CG2-CD1 3.83Å; D133-L172 HydrophobicContact CB-CD2 4.26Å; D133-L172 WeakPolarHBondContact OD1-CD2 3.22Å; K136-L172 WeakPolarHBondContact CE-O 3.31Å; K136-L172 PolarHBondContact NZ-O 2.95Å; H137-L172 PolarHBondContact CE1-O 2.91Å; V141-L172 HydrophobicContact CB-CD2 4.15Å; V141-L172 HydrophobicContact CG1-CD2 3.86Å; I142-L172 HydrophobicContact CB-CD2 4.18Å; I142-L172 HydrophobicContact CD1-CD1 4.47Å; I142-L172 HydrophobicContact CD1-CD2 4.27Å; M145-L172 HydrophobicContact CE-CD1 4.18Å; M145-L172 HydrophobicContact CE-CD2 3.78Å; M145-L172 HydrophobicContact CE-CG 3.6Å; L153-L172 HydrophobicContact CD1-CD1 4.22Å; N169-L172 WeakPolarHBondContact O-CA 3.35Å; N169-L172 WeakPolarHBondContact O-CB 3.25Å; N169-L172 PolarHBondContact O-N 3.3Å; R170-L172 PolarHBondContact O-N 3.03Å; L172-N263 WeakPolarHBondContact CB-OD1 3.45Å
173M97.9Very high93.7Very high19 Ų1962.1 Ų62.19%0.09431%0.308CS..THydrogen-bonded Turntrans-105.8-3.5176.8-59.3-54173.900112.8K136 W166 N169 R170 K171 F182 N263K136-M173 PolarHBondContact NZ-SD 3.34Å; K136-M173 VanDerWaalsContact NZ-SD 3.39Å; W166-M173 HydrophobicContact CH2-CG 4.28Å; W166-M173 HydrophobicContact CZ3-CG 3.93Å; N169-M173 PolarHBondContact O-N 3.23Å; R170-M173 CarbonylContact O-C 3.5Å; R170-M173 PolarHBondContact O-N 3.35Å; K171-M173 PolarHBondContact O-N 2.85Å; M173-F182 HydrophobicContact CB-CZ 4.43Å; M173-F182 HydrophobicContact SD-CE2 4.46Å; M173-F182 HydrophobicContact SD-CZ 3.99Å; M173-N263 HydrophobicContact CE-CB 4.1Å; M173-N263 VanDerWaalsContact CE-CG 3.4Å; M173-N263 VanDerWaalsContact CE-OD1 3.27Å; M173-N263 WeakPolarHBondContact CE-OD1 3.48Å
174E94.6Very high93.7Very high115 Ų11559.1 Ų59.154%0.53729%0.292SS..  trans-84.9146.8172.4-72.7163.6-165.300110.3H137 R170H137-E174 PolarHBondContact NE2-O 3.17Å; R170-E174 WeakPolarHBondContact O-CG 3.34Å; R170-E174 PolarHBondContact O-N 3.38Å; R170-E174 VanDerWaalsContact O-N 3.13Å
175Y91.9Very high93.7Very high81 Ų8155.8 Ų55.832%0.31828%0.277SS..  trans-134.7159.4172.243.2-87.9000109.5D179 G181 F182 E256Y175-D179 HydrophobicContact CD2-CB 4.48Å; Y175-D179 WeakPolarHBondContact CD2-O 3.26Å; Y175-G181 VanDerWaalsContact CE2-N 3.27Å; Y175-F182 AromaticContact CD1-CD1 3.86Å; Y175-F182 HydrophobicContact CD1-CD1 3.86Å; Y175-F182 AromaticContact CD1-CE1 3.68Å; Y175-F182 HydrophobicContact CD1-CE1 3.68Å; Y175-F182 HydrophobicContact CD1-CZ 4.42Å; Y175-F182 HydrophobicContact CE1-CE1 4.39Å; Y175-E256 WeakPolarHBondContact CE1-OE1 3.5Å; Y175-E256 PolarHBondContact OH-OE1 3.5Å
176P84.8Confident93.7Very high50 Ų5055.7 Ų55.733%0.32528%0.277SS..  trans-56143.3-177.8-24.234000112.2E178 D179P176-E178 HydrophobicContact CB-CG 3.99Å; P176-E178 WeakPolarHBondContact CB-OE1 3.31Å; P176-E178 PolarHBondContact O-N 2.93Å; P176-E178 VanDerWaalsContact O-N 3.17Å; P176-D179 HydrophobicContact CB-CB 4.46Å; P176-D179 WeakPolarHBondContact O-CA 3.18Å; P176-D179 WeakPolarHBondContact O-CB 3.38Å; P176-D179 PolarHBondContact O-N 2.93Å; P176-D179 VanDerWaalsContact O-O 3.09Å
177P78.6Confident93.7Very high130 Ų13054 Ų5484%0.84427%0.27SS*.THydrogen-bonded Turntrans-59.7-26.9-179.3-24.333.8000114.6D179P177-D179 VanDerWaalsContact C-N 3.29Å
178E82.1Confident93.8Very high154 Ų15453.3 Ų53.372%0.7226%0.26SS*.THydrogen-bonded Turntrans-72-21.5173.558.9-90.4-155.900113.6P176P176-E178 HydrophobicContact CB-CG 3.99Å; P176-E178 WeakPolarHBondContact CB-OE1 3.31Å; P176-E178 PolarHBondContact O-N 2.93Å; P176-E178 VanDerWaalsContact O-N 3.17Å
179D81.1Confident93.7Very high83 Ų8352.9 Ų52.944%0.44426%0.257SS..SBendtrans-92.3142.3176.1-70.8-25.6000109.7Y175 P176 P177 G181Y175-D179 HydrophobicContact CD2-CB 4.48Å; Y175-D179 WeakPolarHBondContact CD2-O 3.26Å; P176-D179 HydrophobicContact CB-CB 4.46Å; P176-D179 WeakPolarHBondContact O-CA 3.18Å; P176-D179 WeakPolarHBondContact O-CB 3.38Å; P176-D179 PolarHBondContact O-N 2.93Å; P176-D179 VanDerWaalsContact O-O 3.09Å; P177-D179 VanDerWaalsContact C-N 3.29Å; D179-G181 VanDerWaalsContact C-N 3.28Å; D179-G181 PolarHBondContact O-N 3.42Å
180S84.3Confident93.7Very high75 Ų7552.9 Ų52.952%0.52426%0.258SS..SBendtrans-91.415.6176.9-41.80000113.2I206S180-I206 WeakPolarHBondContact O-CD1 3.46Å
181G94.1Very high93.4Very high3 Ų347.5 Ų47.53%0.03124%0.238CC..SBendtrans155.8-174.4-174.800000113.6Y175 D179Y175-G181 VanDerWaalsContact CE2-N 3.27Å; D179-G181 VanDerWaalsContact C-N 3.28Å; D179-G181 PolarHBondContact O-N 3.42Å
182F97.4Very high92.4Very high5 Ų546.5 Ų46.52%0.02225%0.245CC..  trans-65.8159.3-180-57.6-43.7000112.9K136 H137 M173 Y175 Y184 I185 P205 Q252 E256K136-F182 HydrophobicContact CB-CB 4.09Å; K136-F182 HydrophobicContact CB-CD1 3.99Å; K136-F182 HydrophobicContact CB-CG 4.02Å; K136-F182 HydrophobicContact CD-CD1 3.84Å; K136-F182 HydrophobicContact CD-CD2 3.64Å; K136-F182 HydrophobicContact CD-CE1 3.86Å; K136-F182 HydrophobicContact CD-CE2 3.67Å; K136-F182 HydrophobicContact CD-CG 3.76Å; K136-F182 HydrophobicContact CD-CZ 3.81Å; K136-F182 HydrophobicContact CG-CB 3.96Å; K136-F182 HydrophobicContact CG-CD1 4.02Å; K136-F182 HydrophobicContact CG-CD2 3.88Å; K136-F182 HydrophobicContact CG-CE2 4.42Å; K136-F182 HydrophobicContact CG-CG 3.68Å; H137-F182 AromaticContact CE1-CD1 3.99Å; H137-F182 AromaticContact CE1-CE1 3.99Å; H137-F182 AromaticContact NE2-CD1 3.39Å; H137-F182 WeakPolarHBondContact NE2-CD1 3.49Å; H137-F182 AromaticContact NE2-CE1 3.68Å; M173-F182 HydrophobicContact CB-CZ 4.43Å; M173-F182 HydrophobicContact SD-CE2 4.46Å; M173-F182 HydrophobicContact SD-CZ 3.99Å; Y175-F182 AromaticContact CD1-CD1 3.86Å; Y175-F182 HydrophobicContact CD1-CD1 3.86Å; Y175-F182 AromaticContact CD1-CE1 3.68Å; Y175-F182 HydrophobicContact CD1-CE1 3.68Å; Y175-F182 HydrophobicContact CD1-CZ 4.42Å; Y175-F182 HydrophobicContact CE1-CE1 4.39Å; F182-Y184 PolarHBondContact O-N 3.23Å; F182-I185 HydrophobicContact CD2-CD1 4.15Å; F182-P205 WeakPolarHBondContact O-CD 3.48Å; F182-P205 WeakPolarHBondContact O-CG 3.4Å; F182-Q252 VanDerWaalsContact CD2-NE2 3.25Å; F182-E256 HydrophobicContact CE2-CG 4.12Å; F182-E256 HydrophobicContact CZ-CG 3.98Å
183R96.9Very high91.1Very high103 Ų10352.4 Ų52.439%0.38928%0.282SS..SBendtrans-61.9-46174.2-179.7-174.917297.3-5112.1K136 K138 R204K136-R183 WeakPolarHBondContact O-CB 3.41Å; K136-R183 PolarHBondContact O-N 3.35Å; K136-R183 VanDerWaalsContact O-N 3.08Å; K138-R183 VanDerWaalsContact CE-CZ 3.42Å; R183-R204 PolarHBondContact O-NH1 3.05Å
184Y98.5Very high89.8Confident37 Ų3754.1 Ų54.115%0.14529%0.293CS..SBendtrans-143.7151172.5-60.9-66.1000109.9L135 F182 P186 L202 F203 R204L135-Y184 PolarHBondContact O-N 3.08Å; F182-Y184 PolarHBondContact O-N 3.23Å; Y184-P186 WeakPolarHBondContact O-CD 3.47Å; Y184-L202 HydrophobicContact CD1-CB 3.95Å; Y184-L202 HydrophobicContact CD1-CD2 4.45Å; Y184-L202 HydrophobicContact CD2-CD2 3.89Å; Y184-L202 HydrophobicContact CE1-CB 3.88Å; Y184-L202 HydrophobicContact CE1-CD1 4.48Å; Y184-L202 HydrophobicContact CE2-CD1 4.2Å; Y184-L202 HydrophobicContact CE2-CD2 4.06Å; Y184-L202 HydrophobicContact CG-CB 4.42Å; Y184-L202 HydrophobicContact CG-CD2 4.09Å; Y184-F203 CarbonylContact C-O 3.6Å; Y184-F203 VanDerWaalsContact CA-O 3.28Å; Y184-F203 WeakPolarHBondContact CA-O 3.29Å; Y184-R204 HydrophobicContact CD1-CG 3.85Å; Y184-R204 HydrophobicContact CE1-CG 3.72Å; Y184-R204 PolarHBondContact OH-NH2 3.28Å
185I98.7Very high88.8Confident1 Ų158.5 Ų58.51%0.00531%0.314CS..  trans-79.8125.6175.1-60.8-54.9000110.3F182 F187 F203 P205 I251F182-I185 HydrophobicContact CD2-CD1 4.15Å; I185-F187 HydrophobicContact CB-CD1 4.37Å; I185-F187 HydrophobicContact CG2-CB 4.19Å; I185-F187 HydrophobicContact CG2-CD1 4.2Å; I185-F187 WeakPolarHBondContact O-CD1 3.27Å; I185-F187 PolarHBondContact O-N 3.3Å; I185-F203 PolarHBondContact N-O 2.96Å; I185-P205 HydrophobicContact CD1-CB 3.69Å; I185-P205 HydrophobicContact CD1-CG 4Å; I185-P205 HydrophobicContact CG1-CB 4.06Å; I185-P205 HydrophobicContact CG1-CG 4.45Å; I185-I251 HydrophobicContact CD1-CG2 4.43Å; I185-I251 HydrophobicContact CG1-CG1 4.05Å; I185-I251 HydrophobicContact CG1-CG2 4.05Å; I185-I251 HydrophobicContact CG2-CG1 4.17Å
186P98.9Very high88.4Confident0 Ų061 Ų610%032%0.323CS..  trans-75.7106.3167-10.427.8000109.7A132 L135 K136 Y184 N263 F264 L265A132-P186 HydrophobicContact CB-CB 3.81Å; A132-P186 HydrophobicContact CB-CG 3.86Å; L135-P186 HydrophobicContact CB-CG 4.27Å; L135-P186 HydrophobicContact CD1-CB 3.98Å; L135-P186 HydrophobicContact CD1-CG 4.46Å; K136-P186 HydrophobicContact CD-CG 3.87Å; K136-P186 HydrophobicContact CG-CG 3.54Å; Y184-P186 WeakPolarHBondContact O-CD 3.47Å; P186-N263 WeakPolarHBondContact CB-O 3.14Å; P186-F264 HydrophobicContact CB-CD1 3.85Å; P186-F264 HydrophobicContact CB-CE1 3.91Å; P186-F264 HydrophobicContact CB-CG 4.18Å; P186-F264 HydrophobicContact CB-CZ 4.27Å; P186-L265 PolarHBondContact O-N 3.16Å
187F98.9Very high88.6Confident0 Ų062.7 Ų62.70%033%0.334CS..EExtended strand (participates in β ladder)trans-138.8156.1177.274-88.9000111.4I185 I189 Q200 K201 F203 L218 V222 L265I185-F187 HydrophobicContact CB-CD1 4.37Å; I185-F187 HydrophobicContact CG2-CB 4.19Å; I185-F187 HydrophobicContact CG2-CD1 4.2Å; I185-F187 WeakPolarHBondContact O-CD1 3.27Å; I185-F187 PolarHBondContact O-N 3.3Å; F187-I189 HydrophobicContact CD2-CD1 4.18Å; F187-I189 HydrophobicContact CD2-CG1 3.89Å; F187-I189 HydrophobicContact CE2-CD1 3.94Å; F187-I189 HydrophobicContact CE2-CG1 4.07Å; F187-Q200 WeakPolarHBondContact O-CG 3.34Å; F187-K201 WeakPolarHBondContact CE1-O 3.21Å; F187-K201 HydrophobicContact CZ-CB 4.29Å; F187-F203 HydrophobicContact CE1-CB 3.75Å; F187-L218 HydrophobicContact CD1-CD1 4.04Å; F187-L218 HydrophobicContact CD1-CD2 4.38Å; F187-L218 HydrophobicContact CD2-CD1 4.45Å; F187-L218 HydrophobicContact CD2-CD2 4.33Å; F187-L218 HydrophobicContact CE1-CD1 3.63Å; F187-L218 HydrophobicContact CE2-CD1 4.08Å; F187-L218 HydrophobicContact CG-CD1 4.44Å; F187-L218 HydrophobicContact CG-CD2 4.17Å; F187-L218 HydrophobicContact CZ-CD1 3.66Å; F187-V222 HydrophobicContact CE2-CG2 3.97Å; F187-V222 HydrophobicContact CZ-CG1 4.17Å; F187-V222 HydrophobicContact CZ-CG2 4.11Å; F187-L265 VanDerWaalsContact CA-O 3.27Å; F187-L265 WeakPolarHBondContact CA-O 3.27Å; F187-L265 HydrophobicContact CB-CB 4.17Å
188R98.8Very high89.5Confident23 Ų2359 Ų599%0.08730%0.304CS..EExtended strand (participates in β ladder)trans-137127168.3-69.7176.9177.5154-0.3108.9E131 Y190 F198 I199 Q200 F264 L265 I267E131-R188 IonicContact OE1-NH2 3.38Å; E131-R188 PolarHBondContact OE1-NH2 3Å; E131-R188 IonicContact OE2-NH2 2.73Å; E131-R188 PolarHBondContact OE2-NH2 3.04Å; R188-Y190 HydrophobicContact CB-CD2 4.43Å; R188-Y190 HydrophobicContact CB-CE2 3.47Å; R188-Y190 VanDerWaalsContact CB-CE2 3.47Å; R188-Y190 WeakPolarHBondContact CB-OH 3.48Å; R188-Y190 WeakPolarHBondContact CD-OH 3.4Å; R188-Y190 WeakPolarHBondContact O-CD2 3.44Å; R188-Y190 VanDerWaalsContact O-CE2 3.26Å; R188-Y190 WeakPolarHBondContact O-CE2 3.34Å; R188-F198 HydrophobicContact CB-CB 4.25Å; R188-F198 HydrophobicContact CB-CD2 4.1Å; R188-F198 HydrophobicContact CB-CG 4.22Å; R188-F198 HydrophobicContact CG-CD2 3.71Å; R188-F198 HydrophobicContact CG-CE2 3.94Å; R188-F198 HydrophobicContact CG-CG 4.22Å; R188-I199 WeakPolarHBondContact CA-O 3.35Å; R188-Q200 HydrophobicContact CG-CB 4.41Å; R188-F264 HydrophobicContact CG-CD1 3.98Å; R188-F264 HydrophobicContact CG-CE1 4.22Å; R188-L265 PolarHBondContact N-O 3.17Å; R188-I267 PolarHBondContact O-N 2.82Å
189I98.4Very high90.2Very high1 Ų152.8 Ų52.81%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-103.1125.9176.3-58.9168.9000109F187 F198 I199 L219 V222 C223 I267 I269F187-I189 HydrophobicContact CD2-CD1 4.18Å; F187-I189 HydrophobicContact CD2-CG1 3.89Å; F187-I189 HydrophobicContact CE2-CD1 3.94Å; F187-I189 HydrophobicContact CE2-CG1 4.07Å; I189-F198 CarbonylContact O-C 3.5Å; I189-F198 WeakPolarHBondContact O-CA 3.39Å; I189-F198 VanDerWaalsContact O-CB 3.31Å; I189-F198 WeakPolarHBondContact O-CB 3.21Å; I189-I199 HydrophobicContact CB-CB 4.27Å; I189-I199 PolarHBondContact N-O 3.15Å; I189-I199 PolarHBondContact O-N 2.63Å; I189-L219 HydrophobicContact CD1-CD2 3.89Å; I189-V222 HydrophobicContact CD1-CG2 3.35Å; I189-C223 HydrophobicContact CD1-CB 4.03Å; I189-I267 CarbonylContact C-O 3.53Å; I189-I267 WeakPolarHBondContact CA-O 3.33Å; I189-I267 HydrophobicContact CG1-CB 4.2Å; I189-I267 HydrophobicContact CG1-CD1 4.15Å; I189-I269 HydrophobicContact CG2-CD1 4.1Å; I189-I269 HydrophobicContact CG2-CG1 3.5Å; I189-I269 VanDerWaalsContact CG2-CG1 3.5Å
190Y97.2Very high91Very high2 Ų251.2 Ų51.21%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-111.3136.5-176.8-57.1-92.1000109.8Y81 L85 R188 P197 F198 H266 I267 I269Y81-Y190 HydrophobicContact CD2-CE1 4.11Å; Y81-Y190 AromaticContact CE2-CD1 3.78Å; Y81-Y190 HydrophobicContact CE2-CD1 3.78Å; Y81-Y190 AromaticContact CE2-CE1 3.41Å; Y81-Y190 HydrophobicContact CE2-CE1 3.41Å; Y81-Y190 VanDerWaalsContact CE2-CE1 3.41Å; Y81-Y190 AromaticContact CZ-CE1 3.7Å; L85-Y190 HydrophobicContact CD1-CD1 4.47Å; L85-Y190 HydrophobicContact CD1-CD2 3.5Å; L85-Y190 VanDerWaalsContact CD1-CD2 3.5Å; L85-Y190 HydrophobicContact CD1-CE2 3.86Å; L85-Y190 HydrophobicContact CD1-CG 3.84Å; L85-Y190 HydrophobicContact CD2-CD1 4.25Å; L85-Y190 HydrophobicContact CD2-CD2 4.03Å; L85-Y190 HydrophobicContact CD2-CE1 3.81Å; L85-Y190 HydrophobicContact CD2-CE2 3.58Å; L85-Y190 HydrophobicContact CD2-CG 4.34Å; L85-Y190 VanDerWaalsContact CD2-CZ 3.45Å; L85-Y190 HydrophobicContact CG-CD2 4.41Å; L85-Y190 HydrophobicContact CG-CE2 4.39Å; R188-Y190 HydrophobicContact CB-CD2 4.43Å; R188-Y190 HydrophobicContact CB-CE2 3.47Å; R188-Y190 VanDerWaalsContact CB-CE2 3.47Å; R188-Y190 WeakPolarHBondContact CB-OH 3.48Å; R188-Y190 WeakPolarHBondContact CD-OH 3.4Å; R188-Y190 WeakPolarHBondContact O-CD2 3.44Å; R188-Y190 VanDerWaalsContact O-CE2 3.26Å; R188-Y190 WeakPolarHBondContact O-CE2 3.34Å; Y190-P197 WeakPolarHBondContact CD1-O 3.42Å; Y190-F198 HydrophobicContact CD1-CB 3.79Å; Y190-F198 HydrophobicContact CE1-CB 3.68Å; Y190-F198 AromaticContact CE1-CD1 3.83Å; Y190-F198 HydrophobicContact CE1-CD1 3.83Å; Y190-F198 HydrophobicContact CE1-CG 4.06Å; Y190-F198 HydrophobicContact CG-CB 4.37Å; Y190-H266 HydrophobicContact CE2-CB 3.9Å; Y190-H266 AromaticContact CE2-ND1 3.38Å; Y190-H266 WeakPolarHBondContact CE2-ND1 3.34Å; Y190-H266 AromaticContact CZ-ND1 3.47Å; Y190-H266 PolarHBondContact OH-CE1 2.88Å; Y190-H266 VanDerWaalsContact OH-CE1 3.3Å; Y190-H266 PolarHBondContact OH-ND1 3.36Å; Y190-I267 PolarHBondContact N-O 2.98Å; Y190-I269 PolarHBondContact O-N 3.33Å
191Q91.6Very high91.7Very high33 Ų3352.4 Ų52.415%0.15426%0.262CS..EExtended strand (participates in β ladder)trans-134.4124.3174.7-44.1-169.2-80.900107.6T193 T194 C223 I269Q191-T193 PolarHBondContact O-N 3.06Å; Q191-T194 HydrophobicContact CB-CG2 3.89Å; Q191-T194 HydrophobicContact CG-CG2 4.4Å; Q191-T194 PolarHBondContact O-N 3.1Å; Q191-T194 PolarHBondContact O-OG1 2.89Å; Q191-C223 PolarHBondContact NE2-SG 3.44Å; Q191-C223 VanDerWaalsContact NE2-SG 3.41Å; Q191-I269 HydrophobicContact CG-CB 4.04Å; Q191-I269 HydrophobicContact CG-CG1 4.23Å
192A77.6Confident91.9Very high61 Ų6157.4 Ų57.450%0.50429%0.287SS..THydrogen-bonded Turntrans-63.8-23.5-177.400000112.7L89L89-A192 HydrophobicContact CD1-CB 4.12Å
193T71Confident91.9Very high125 Ų12557.8 Ų57.877%0.76729%0.289SS*.THydrogen-bonded Turntrans-89-6.4-175.456.70000114.4Q191Q191-T193 PolarHBondContact O-N 3.06Å
194T71.7Confident92Very high54 Ų5458.6 Ų58.633%0.33129%0.292SS..  trans-102.9138.4-175.360.50000112.3Q191 R196Q191-T194 HydrophobicContact CB-CG2 3.89Å; Q191-T194 HydrophobicContact CG-CG2 4.4Å; Q191-T194 PolarHBondContact O-N 3.1Å; Q191-T194 PolarHBondContact O-OG1 2.89Å; T194-R196 PolarHBondContact O-N 3.28Å; T194-R196 PolarHBondContact OG1-O 3.46Å
195E72.4Confident91.9Very high207 Ų20756.9 Ų56.997%0.96729%0.285SS*.SBendtrans-63.4-22.9173.7-64.2-177.3174.500113
196R83.9Confident91.7Very high135 Ų13558.5 Ų58.551%0.50929%0.294SS..SBendtrans-76.2132.4177.4-174.2177.5174.5170.43109.9T194 F198T194-R196 PolarHBondContact O-N 3.28Å; T194-R196 PolarHBondContact OG1-O 3.46Å; R196-F198 VanDerWaalsContact C-N 3.35Å; R196-F198 WeakPolarHBondContact CD-O 3.48Å; R196-F198 PolarHBondContact NE-O 2.78Å; R196-F198 PolarHBondContact O-N 3.39Å
197P89.6Confident91.3Very high85 Ų8559.9 Ų59.955%0.55231%0.305SS*.SBendtrans-57.6-43.1-179-27.134000114.2Y190Y190-P197 WeakPolarHBondContact CD1-O 3.42Å
198F96.6Very high90.8Very high52 Ų5265.6 Ų65.623%0.22835%0.352CS..  trans-166.6161175.651.6-94.8000111.7Y81 R188 I189 Y190 R196 Q200Y81-F198 WeakPolarHBondContact OH-CD1 3.27Å; R188-F198 HydrophobicContact CB-CB 4.25Å; R188-F198 HydrophobicContact CB-CD2 4.1Å; R188-F198 HydrophobicContact CB-CG 4.22Å; R188-F198 HydrophobicContact CG-CD2 3.71Å; R188-F198 HydrophobicContact CG-CE2 3.94Å; R188-F198 HydrophobicContact CG-CG 4.22Å; I189-F198 CarbonylContact O-C 3.5Å; I189-F198 WeakPolarHBondContact O-CA 3.39Å; I189-F198 VanDerWaalsContact O-CB 3.31Å; I189-F198 WeakPolarHBondContact O-CB 3.21Å; Y190-F198 HydrophobicContact CD1-CB 3.79Å; Y190-F198 HydrophobicContact CE1-CB 3.68Å; Y190-F198 AromaticContact CE1-CD1 3.83Å; Y190-F198 HydrophobicContact CE1-CD1 3.83Å; Y190-F198 HydrophobicContact CE1-CG 4.06Å; Y190-F198 HydrophobicContact CG-CB 4.37Å; R196-F198 VanDerWaalsContact C-N 3.35Å; R196-F198 WeakPolarHBondContact CD-O 3.48Å; R196-F198 PolarHBondContact NE-O 2.78Å; R196-F198 PolarHBondContact O-N 3.39Å; F198-Q200 HydrophobicContact CD2-CB 4.04Å; F198-Q200 HydrophobicContact CE2-CB 4.08Å
199I97Very high90.1Very high24 Ų2468.2 Ų68.212%0.12339%0.386CS..BIsolated β-bridgetrans-95126.1169.4-54.6170.3000108.8R188 I189 K201 V222 C223R188-I199 WeakPolarHBondContact CA-O 3.35Å; I189-I199 HydrophobicContact CB-CB 4.27Å; I189-I199 PolarHBondContact N-O 3.15Å; I189-I199 PolarHBondContact O-N 2.63Å; I199-K201 HydrophobicContact CG2-CG 4.37Å; I199-V222 HydrophobicContact CG2-CB 4.41Å; I199-C223 HydrophobicContact CD1-CB 4.19Å
200Q97.9Very high89.6Confident49 Ų4970.5 Ų70.523%0.22941%0.41CS..  trans-137.8125.1171.1179.9175.8-37.300107.6E131 F187 R188 F198E131-Q200 PolarHBondContact OE1-NE2 3.11Å; E131-Q200 PolarHBondContact OE1-OE1 2.8Å; F187-Q200 WeakPolarHBondContact O-CG 3.34Å; R188-Q200 HydrophobicContact CG-CB 4.41Å; F198-Q200 HydrophobicContact CD2-CB 4.04Å; F198-Q200 HydrophobicContact CE2-CB 4.08Å
201K98.1Very high89.3Confident101 Ų10177.3 Ų77.344%0.43944%0.442SS..  trans-140.4165.1-179.7-70-175.8178.9174.60109.2F187 I199 F203 V222F187-K201 WeakPolarHBondContact CE1-O 3.21Å; F187-K201 HydrophobicContact CZ-CB 4.29Å; I199-K201 HydrophobicContact CG2-CG 4.37Å; K201-F203 PolarHBondContact O-N 3.28Å; K201-V222 HydrophobicContact CB-CG1 4.14Å; K201-V222 HydrophobicContact CD-CB 4.14Å; K201-V222 HydrophobicContact CD-CG1 3.92Å
202L98.6Very high89.5Confident107 Ų10779.4 Ų79.456%0.5645%0.454SS*.  trans-75119172-61.2-178.8000109.3L135 Y184L135-L202 HydrophobicContact CD2-CD2 3.73Å; Y184-L202 HydrophobicContact CD1-CB 3.95Å; Y184-L202 HydrophobicContact CD1-CD2 4.45Å; Y184-L202 HydrophobicContact CD2-CD2 3.89Å; Y184-L202 HydrophobicContact CE1-CB 3.88Å; Y184-L202 HydrophobicContact CE1-CD1 4.48Å; Y184-L202 HydrophobicContact CE2-CD1 4.2Å; Y184-L202 HydrophobicContact CE2-CD2 4.06Å; Y184-L202 HydrophobicContact CG-CB 4.42Å; Y184-L202 HydrophobicContact CG-CD2 4.09Å
203F98.5Very high90.5Very high13 Ų1378.8 Ų78.86%0.05744%0.44CS..  trans-133.2128.1176.4-171.9-93.3000109.8Y184 I185 F187 K201 H213 D217 L218 D221 I251Y184-F203 CarbonylContact C-O 3.6Å; Y184-F203 VanDerWaalsContact CA-O 3.28Å; Y184-F203 WeakPolarHBondContact CA-O 3.29Å; I185-F203 PolarHBondContact N-O 2.96Å; F187-F203 HydrophobicContact CE1-CB 3.75Å; K201-F203 PolarHBondContact O-N 3.28Å; F203-H213 HydrophobicContact CE1-CB 3.76Å; F203-H213 AromaticContact CE1-ND1 3.66Å; F203-H213 HydrophobicContact CZ-CB 3.85Å; F203-H213 AromaticContact CZ-CG 3.8Å; F203-H213 AromaticContact CZ-ND1 3.48Å; F203-H213 WeakPolarHBondContact CZ-ND1 3.45Å; F203-D217 HydrophobicContact CZ-CB 4.28Å; F203-L218 HydrophobicContact CB-CD1 3.81Å; F203-L218 HydrophobicContact CD1-CB 4.32Å; F203-L218 HydrophobicContact CD1-CD1 3.81Å; F203-L218 HydrophobicContact CD2-CD1 3.72Å; F203-L218 HydrophobicContact CE1-CB 3.99Å; F203-L218 HydrophobicContact CE1-CD1 4.31Å; F203-L218 HydrophobicContact CE2-CB 4.3Å; F203-L218 HydrophobicContact CE2-CD1 4.24Å; F203-L218 HydrophobicContact CG-CD1 3.49Å; F203-L218 VanDerWaalsContact CG-CD1 3.49Å; F203-L218 HydrophobicContact CZ-CB 3.98Å; F203-D221 HydrophobicContact CD2-CB 4.4Å; F203-D221 HydrophobicContact CE2-CB 4.09Å; F203-I251 HydrophobicContact CE1-CG2 4.12Å
204R97.6Very high91.8Very high121 Ų12174.2 Ų74.246%0.45741%0.412SS..  trans-87.5138.2179.6-66.7-174178.4-83.75.1109.9R183 Y184 I206 H213R183-R204 PolarHBondContact O-NH1 3.05Å; Y184-R204 HydrophobicContact CD1-CG 3.85Å; Y184-R204 HydrophobicContact CE1-CG 3.72Å; Y184-R204 PolarHBondContact OH-NH2 3.28Å; R204-I206 PolarHBondContact O-N 3.45Å; R204-H213 PolarHBondContact O-ND1 3.31Å
205P96.9Very high93Very high1 Ų171.6 Ų71.61%0.00640%0.396CS..SBendtrans-71.3-18.4176.424-29.6000114.2F182 I185 H213 I251 Q252F182-P205 WeakPolarHBondContact O-CD 3.48Å; F182-P205 WeakPolarHBondContact O-CG 3.4Å; I185-P205 HydrophobicContact CD1-CB 3.69Å; I185-P205 HydrophobicContact CD1-CG 4Å; I185-P205 HydrophobicContact CG1-CB 4.06Å; I185-P205 HydrophobicContact CG1-CG 4.45Å; P205-H213 PolarHBondContact O-N 3.03Å; P205-I251 HydrophobicContact CB-CG2 4.08Å; P205-Q252 HydrophobicContact CB-CB 3.94Å; P205-Q252 VanDerWaalsContact CG-OE1 3.32Å
206I94.8Very high94.2Very high35 Ų3561.9 Ų61.918%0.17935%0.352CS..BIsolated β-bridgetrans-126.2132.1-173.8-49.9134.1000108.5S180 R204 L212S180-I206 WeakPolarHBondContact O-CD1 3.46Å; R204-I206 PolarHBondContact O-N 3.45Å; I206-L212 HydrophobicContact CG1-CD2 4.08Å
207A91.5Very high94.9Very high29 Ų2957.8 Ų57.824%0.2434%0.34CS..  trans-69.2162.6173.400000111.3G209 G210 Q211A207-G209 PolarHBondContact O-N 3.38Å; A207-G210 PolarHBondContact O-N 2.9Å; A207-Q211 HydrophobicContact CB-CB 4.47Å; A207-Q211 WeakPolarHBondContact CB-O 3.42Å; A207-Q211 PolarHBondContact N-O 2.88Å
208A87Confident95.3Very high120 Ų12053.7 Ų53.799%0.99231%0.313SS*.THydrogen-bonded Turntrans-58.3-25176.900000113.7
209G84.2Confident95.3Very high78 Ų7851.2 Ų51.280%0.80430%0.303SS*.THydrogen-bonded Turntrans-86.35.2175.800000115.2A207 Q211A207-G209 PolarHBondContact O-N 3.38Å; G209-Q211 VanDerWaalsContact C-N 3.33Å; G209-Q211 PolarHBondContact O-N 3.42Å
210G87.6Confident95.2Very high49 Ų4956.4 Ų56.451%0.50532%0.324SS..SBendtrans84.9-2.8179.700000115.3A207A207-G210 PolarHBondContact O-N 2.9Å
211Q92.4Very high95.1Very high145 Ų14558.7 Ų58.768%0.67834%0.338SS*.PPolyproline II helixtrans-72.7138174.9-173.9175.9-2.600111A207 G209A207-Q211 HydrophobicContact CB-CB 4.47Å; A207-Q211 WeakPolarHBondContact CB-O 3.42Å; A207-Q211 PolarHBondContact N-O 2.88Å; G209-Q211 VanDerWaalsContact C-N 3.33Å; G209-Q211 PolarHBondContact O-N 3.42Å
212L94.9Very high95Very high76 Ų7654.3 Ų54.340%0.39832%0.32SS..BIsolated β-bridgetrans-68.7129.4172.8-61.4177.7000110.3I206 P250I206-L212 HydrophobicContact CG1-CD2 4.08Å; L212-P250 HydrophobicContact CD1-CB 4.28Å
213H97.9Very high94.7Very high48 Ų4849.3 Ų49.322%0.22229%0.294CS..PPolyproline II helixtrans-71.7151.9167.8-73.4153.5000110.8F203 R204 P205 D217 I251F203-H213 HydrophobicContact CE1-CB 3.76Å; F203-H213 AromaticContact CE1-ND1 3.66Å; F203-H213 HydrophobicContact CZ-CB 3.85Å; F203-H213 AromaticContact CZ-CG 3.8Å; F203-H213 AromaticContact CZ-ND1 3.48Å; F203-H213 WeakPolarHBondContact CZ-ND1 3.45Å; R204-H213 PolarHBondContact O-ND1 3.31Å; P205-H213 PolarHBondContact O-N 3.03Å; H213-D217 HydrophobicContact CB-CB 4.21Å; H213-D217 IonicContact CD2-OD2 3.63Å; H213-I251 HydrophobicContact CB-CG2 4.11Å; H213-I251 WeakPolarHBondContact O-CG2 3.36Å; H213-I251 PolarHBondContact O-N 3.1Å
214T98.3Very high94.4Very high29 Ų2951.7 Ų51.718%0.17831%0.311CS..BIsolated β-bridgetrans-106.3171.817878.80000112.1G216 D217 L218 L247 E248 T249T214-G216 PolarHBondContact O-N 3.13Å; T214-G216 PolarHBondContact OG1-N 3.18Å; T214-D217 PolarHBondContact N-OD2 3Å; T214-D217 PolarHBondContact O-N 3.16Å; T214-D217 VanDerWaalsContact O-N 3.17Å; T214-D217 PolarHBondContact OG1-N 3.14Å; T214-D217 PolarHBondContact OG1-OD2 3.48Å; T214-L218 PolarHBondContact O-N 3.45Å; T214-L218 VanDerWaalsContact O-N 3.12Å; T214-L247 WeakPolarHBondContact CB-O 3.39Å; T214-L247 PolarHBondContact OG1-O 3.47Å; T214-E248 VanDerWaalsContact CG2-O 3.31Å; T214-E248 WeakPolarHBondContact CG2-O 3.47Å; T214-T249 CarbonylContact C-O 3.42Å; T214-T249 VanDerWaalsContact CA-O 3.31Å; T214-T249 WeakPolarHBondContact CA-O 3.49Å
215L98.4Very high93.9Very high0 Ų049.7 Ų49.70%032%0.315CS..Hα-helixtrans-54.4-40.3169178.258.8000112L218 L219 V238 P245 L247 T249 I251 L254 I267L215-L218 WeakPolarHBondContact O-CB 3.34Å; L215-L218 PolarHBondContact O-N 3.33Å; L215-L219 HydrophobicContact CD1-CD1 4.31Å; L215-L219 HydrophobicContact CD1-CG 4.36Å; L215-L219 HydrophobicContact CG-CD1 4.2Å; L215-L219 WeakPolarHBondContact O-CG 3.39Å; L215-L219 PolarHBondContact O-N 3.32Å; L215-V238 HydrophobicContact CD2-CG1 4.12Å; L215-P245 HydrophobicContact CD2-CB 4.11Å; L215-L247 HydrophobicContact CD2-CD2 4.39Å; L215-L247 HydrophobicContact CG-CD2 4.32Å; L215-L247 PolarHBondContact N-O 3.32Å; L215-T249 PolarHBondContact N-O 2.96Å; L215-I251 HydrophobicContact CD1-CD1 4.27Å; L215-L254 HydrophobicContact CB-CD1 3.85Å; L215-L254 HydrophobicContact CD1-CD1 4.32Å; L215-L254 HydrophobicContact CD2-CD1 4.11Å; L215-L254 HydrophobicContact CG-CD1 4.32Å; L215-I267 HydrophobicContact CD1-CD1 4.16Å
216G97.1Very high93.4Very high3 Ų349.9 Ų49.93%0.03132%0.316CS..Hα-helixtrans-61.6-42.1175.700000112.7T214 L219 K220 L247T214-G216 PolarHBondContact O-N 3.13Å; T214-G216 PolarHBondContact OG1-N 3.18Å; G216-L219 PolarHBondContact O-N 2.92Å; G216-K220 VanDerWaalsContact O-CG 3.25Å; G216-K220 WeakPolarHBondContact O-CG 3.4Å; G216-K220 PolarHBondContact O-N 3.44Å; G216-L247 PolarHBondContact N-O 2.69Å
217D97.3Very high92.8Very high48 Ų4849.8 Ų49.826%0.25732%0.316SS..Hα-helixtrans-65.5-40.5177.6-61.1-33.9000111.9F203 H213 T214 K220 D221F203-D217 HydrophobicContact CZ-CB 4.28Å; H213-D217 HydrophobicContact CB-CB 4.21Å; H213-D217 IonicContact CD2-OD2 3.63Å; T214-D217 PolarHBondContact N-OD2 3Å; T214-D217 PolarHBondContact O-N 3.16Å; T214-D217 VanDerWaalsContact O-N 3.17Å; T214-D217 PolarHBondContact OG1-N 3.14Å; T214-D217 PolarHBondContact OG1-OD2 3.48Å; D217-K220 PolarHBondContact O-N 3.34Å; D217-K220 IonicContact OD1-NZ 3.69Å; D217-D221 PolarHBondContact O-N 3.2Å
218L98.2Very high91.8Very high0 Ų052.3 Ų52.30%033%0.329CS..Hα-helixtrans-56.2-54.4172171.965.3000110.6F187 F203 T214 L215 K220 D221 V222 I251 I267F187-L218 HydrophobicContact CD1-CD1 4.04Å; F187-L218 HydrophobicContact CD1-CD2 4.38Å; F187-L218 HydrophobicContact CD2-CD1 4.45Å; F187-L218 HydrophobicContact CD2-CD2 4.33Å; F187-L218 HydrophobicContact CE1-CD1 3.63Å; F187-L218 HydrophobicContact CE2-CD1 4.08Å; F187-L218 HydrophobicContact CG-CD1 4.44Å; F187-L218 HydrophobicContact CG-CD2 4.17Å; F187-L218 HydrophobicContact CZ-CD1 3.66Å; F203-L218 HydrophobicContact CB-CD1 3.81Å; F203-L218 HydrophobicContact CD1-CB 4.32Å; F203-L218 HydrophobicContact CD1-CD1 3.81Å; F203-L218 HydrophobicContact CD2-CD1 3.72Å; F203-L218 HydrophobicContact CE1-CB 3.99Å; F203-L218 HydrophobicContact CE1-CD1 4.31Å; F203-L218 HydrophobicContact CE2-CB 4.3Å; F203-L218 HydrophobicContact CE2-CD1 4.24Å; F203-L218 HydrophobicContact CG-CD1 3.49Å; F203-L218 VanDerWaalsContact CG-CD1 3.49Å; F203-L218 HydrophobicContact CZ-CB 3.98Å; T214-L218 PolarHBondContact O-N 3.45Å; T214-L218 VanDerWaalsContact O-N 3.12Å; L215-L218 WeakPolarHBondContact O-CB 3.34Å; L215-L218 PolarHBondContact O-N 3.33Å; L218-K220 PolarHBondContact O-N 3.06Å; L218-D221 PolarHBondContact O-N 3.16Å; L218-D221 VanDerWaalsContact O-N 3.16Å; L218-V222 HydrophobicContact CD1-CG1 4.14Å; L218-V222 HydrophobicContact CD1-CG2 3.86Å; L218-V222 HydrophobicContact CG-CG2 4.23Å; L218-V222 WeakPolarHBondContact O-CG2 3.48Å; L218-V222 PolarHBondContact O-N 3.46Å; L218-I251 HydrophobicContact CD2-CD1 3.72Å; L218-I251 HydrophobicContact CD2-CG1 4.22Å; L218-I267 HydrophobicContact CD2-CD1 3.98Å
219L96.8Very high90.7Very high0 Ų049.8 Ų49.80%030%0.302CS..Hα-helixtrans-62.9-39.7-177-66.9173.4000112.2I189 L215 G216 D221 C223 P224 I227 V238 L247 I269I189-L219 HydrophobicContact CD1-CD2 3.89Å; L215-L219 HydrophobicContact CD1-CD1 4.31Å; L215-L219 HydrophobicContact CD1-CG 4.36Å; L215-L219 HydrophobicContact CG-CD1 4.2Å; L215-L219 WeakPolarHBondContact O-CG 3.39Å; L215-L219 PolarHBondContact O-N 3.32Å; G216-L219 PolarHBondContact O-N 2.92Å; L219-D221 VanDerWaalsContact C-N 3.27Å; L219-D221 PolarHBondContact O-N 3.17Å; L219-C223 HydrophobicContact CD2-CB 4.44Å; L219-C223 CarbonylContact O-C 3.6Å; L219-C223 WeakPolarHBondContact O-CA 3.34Å; L219-C223 PolarHBondContact O-N 2.89Å; L219-C223 VanDerWaalsContact O-O 3.09Å; L219-P224 WeakPolarHBondContact O-CA 3.35Å; L219-P224 VanDerWaalsContact O-N 3.09Å; L219-I227 HydrophobicContact CB-CD1 3.99Å; L219-I227 HydrophobicContact CB-CG1 4.39Å; L219-I227 HydrophobicContact CB-CG2 4Å; L219-I227 HydrophobicContact CD1-CG2 3.72Å; L219-V238 HydrophobicContact CD1-CB 4.39Å; L219-V238 HydrophobicContact CD1-CG1 3.91Å; L219-V238 HydrophobicContact CD1-CG2 3.62Å; L219-L247 HydrophobicContact CD1-CD2 3.87Å; L219-I269 HydrophobicContact CD2-CD1 4.2Å
220K95.5Very high89.5Confident132 Ų13254.1 Ų54.157%0.57430%0.301SS*.Hα-helixtrans-56.4-41.7174.6-73.8171.8-166.6161.70112.2G216 D217 L218 I227G216-K220 VanDerWaalsContact O-CG 3.25Å; G216-K220 WeakPolarHBondContact O-CG 3.4Å; G216-K220 PolarHBondContact O-N 3.44Å; D217-K220 PolarHBondContact O-N 3.34Å; D217-K220 IonicContact OD1-NZ 3.69Å; L218-K220 PolarHBondContact O-N 3.06Å; K220-I227 HydrophobicContact CB-CD1 4.05Å; K220-I227 HydrophobicContact CD-CD1 4.41Å; K220-I227 HydrophobicContact CG-CD1 3.22Å
221D95.9Very high88.3Confident98 Ų9857.4 Ų57.452%0.52431%0.307SS..Hα-helixtrans-76.7-44.5-176.6-175.760.5000112.6F203 D217 L218 L219F203-D221 HydrophobicContact CD2-CB 4.4Å; F203-D221 HydrophobicContact CE2-CB 4.09Å; D217-D221 PolarHBondContact O-N 3.2Å; L218-D221 PolarHBondContact O-N 3.16Å; L218-D221 VanDerWaalsContact O-N 3.16Å; L219-D221 VanDerWaalsContact C-N 3.27Å; L219-D221 PolarHBondContact O-N 3.17Å
222V95.5Very high86.6Confident8 Ų853.7 Ų53.75%0.04831%0.308CS..Hα-helixtrans-106.5-22.8-167.8-50.30000114.9F187 I189 I199 K201 L218F187-V222 HydrophobicContact CE2-CG2 3.97Å; F187-V222 HydrophobicContact CZ-CG1 4.17Å; F187-V222 HydrophobicContact CZ-CG2 4.11Å; I189-V222 HydrophobicContact CD1-CG2 3.35Å; I199-V222 HydrophobicContact CG2-CB 4.41Å; K201-V222 HydrophobicContact CB-CG1 4.14Å; K201-V222 HydrophobicContact CD-CB 4.14Å; K201-V222 HydrophobicContact CD-CG1 3.92Å; L218-V222 HydrophobicContact CD1-CG1 4.14Å; L218-V222 HydrophobicContact CD1-CG2 3.86Å; L218-V222 HydrophobicContact CG-CG2 4.23Å; L218-V222 WeakPolarHBondContact O-CG2 3.48Å; L218-V222 PolarHBondContact O-N 3.46Å
223C93.1Very high85.1Confident3 Ų357.1 Ų57.12%0.0232%0.322CS..  trans-149.760.7-176.5-165.90000111.2I189 Q191 I199 L219 S225 A226I189-C223 HydrophobicContact CD1-CB 4.03Å; Q191-C223 PolarHBondContact NE2-SG 3.44Å; Q191-C223 VanDerWaalsContact NE2-SG 3.41Å; I199-C223 HydrophobicContact CD1-CB 4.19Å; L219-C223 HydrophobicContact CD2-CB 4.44Å; L219-C223 CarbonylContact O-C 3.6Å; L219-C223 WeakPolarHBondContact O-CA 3.34Å; L219-C223 PolarHBondContact O-N 2.89Å; L219-C223 VanDerWaalsContact O-O 3.09Å; C223-S225 PolarHBondContact O-N 3.28Å; C223-A226 WeakPolarHBondContact O-CB 3.46Å; C223-A226 PolarHBondContact O-N 2.98Å
224P91.4Very high83.6Confident63 Ų6360.7 Ų60.741%0.40934%0.336SS..G310 helixtrans-60.2-32.8-171.721.2-32.9000112.9L219 A226 I227 T228L219-P224 WeakPolarHBondContact O-CA 3.35Å; L219-P224 VanDerWaalsContact O-N 3.09Å; P224-A226 PolarHBondContact O-N 3.36Å; P224-A226 VanDerWaalsContact O-N 3.08Å; P224-I227 VanDerWaalsContact O-CG1 3.28Å; P224-I227 WeakPolarHBondContact O-CG1 3.49Å; P224-I227 PolarHBondContact O-N 3.12Å; P224-T228 PolarHBondContact O-N 3.47Å; P224-T228 PolarHBondContact O-OG1 3.06Å
225S87.8Confident82.7Confident78 Ų7864.6 Ų64.655%0.54535%0.351SS..G310 helixtrans-58.8-20.2177.455.10000114.2C223 I227C223-S225 PolarHBondContact O-N 3.28Å; S225-I227 VanDerWaalsContact C-N 3.27Å; S225-I227 PolarHBondContact O-N 2.89Å
226A85.9Confident82.2Confident5 Ų566.4 Ų66.44%0.04136%0.362CS..G310 helixtrans-74.7-15.3176.900000113.9C223 P224 T236 I269C223-A226 WeakPolarHBondContact O-CB 3.46Å; C223-A226 PolarHBondContact O-N 2.98Å; P224-A226 PolarHBondContact O-N 3.36Å; P224-A226 VanDerWaalsContact O-N 3.08Å; A226-T236 PolarHBondContact O-OG1 2.85Å; A226-I269 HydrophobicContact CB-CD1 3.92Å; A226-I269 HydrophobicContact CB-CG1 4.11Å; A226-I269 HydrophobicContact CB-CG2 3.79Å
227I82.1Confident81.9Confident34 Ų3467.6 Ų67.617%0.17437%0.367CS..THydrogen-bonded Turntrans-135.4-15.6-17257.2166.6000114.1L219 K220 P224 S225 P229 L247L219-I227 HydrophobicContact CB-CD1 3.99Å; L219-I227 HydrophobicContact CB-CG1 4.39Å; L219-I227 HydrophobicContact CB-CG2 4Å; L219-I227 HydrophobicContact CD1-CG2 3.72Å; K220-I227 HydrophobicContact CB-CD1 4.05Å; K220-I227 HydrophobicContact CD-CD1 4.41Å; K220-I227 HydrophobicContact CG-CD1 3.22Å; P224-I227 VanDerWaalsContact O-CG1 3.28Å; P224-I227 WeakPolarHBondContact O-CG1 3.49Å; P224-I227 PolarHBondContact O-N 3.12Å; S225-I227 VanDerWaalsContact C-N 3.27Å; S225-I227 PolarHBondContact O-N 2.89Å; I227-P229 WeakPolarHBondContact O-CD 3.48Å; I227-L247 HydrophobicContact CG2-CD1 4.12Å; I227-L247 HydrophobicContact CG2-CD2 4.33Å
228T70.4Confident81.8Confident82 Ų8265.6 Ų65.650%0.50336%0.357SS..  trans-84.5110.2173.651.50000109.4P224 E230P224-T228 PolarHBondContact O-N 3.47Å; P224-T228 PolarHBondContact O-OG1 3.06Å; T228-E230 PolarHBondContact O-N 3.48Å
229P63.8Low81.8Confident66 Ų6666.4 Ų66.443%0.42936%0.361SS..  trans-72.8119.4174.530-32.1000108.9I227 D231 E233I227-P229 WeakPolarHBondContact O-CD 3.48Å; P229-D231 PolarHBondContact O-N 3.19Å; P229-E233 WeakPolarHBondContact CB-O 3.18Å
230E59.2Low81.8Confident170 Ų17066.4 Ų66.479%0.79436%0.361SS*.SBendtrans-64.8-30.3173.1-69.4-176.2158.200111.5T228T228-E230 PolarHBondContact O-N 3.48Å
231D62.4Low82Confident118 Ų11860.9 Ų60.963%0.63134%0.337SS*.SBendtrans-126.919.1-173.5-57.1-50000114P229 E233 K235P229-D231 PolarHBondContact O-N 3.19Å; D231-E233 VanDerWaalsContact C-N 3.35Å; D231-E233 PolarHBondContact O-N 3.16Å; D231-K235 IonicContact OD2-NZ 3.98Å; D231-K235 PolarHBondContact OD2-NZ 2.79Å
232G57.3Low82.1Confident66 Ų6657.7 Ų57.768%0.6833%0.327SS*.SBendtrans84.6-10.1-179.800000116.6
233E62.2Low82.1Confident148 Ų14862 Ų6269%0.69235%0.348SS*.SBendtrans-106.5139.4175.4-68.7-172.8166.300112.9P229 D231 K235P229-E233 WeakPolarHBondContact CB-O 3.18Å; D231-E233 VanDerWaalsContact C-N 3.35Å; D231-E233 PolarHBondContact O-N 3.16Å; E233-K235 PolarHBondContact O-N 2.99Å
234K66.2Low82.3Confident123 Ų12365.5 Ų65.554%0.53537%0.365SS..  trans-7297.1173-78.9-173.4177.2-177.30110T236K234-T236 VanDerWaalsContact C-N 3.32Å; K234-T236 PolarHBondContact O-N 2.77Å
235K79.2Confident82.6Confident111 Ų11163.4 Ų63.448%0.48335%0.351SS..  trans-76.8-14.5179.9-63.8-176.6-176.8174.20114.2D231 E233 R272D231-K235 IonicContact OD2-NZ 3.98Å; D231-K235 PolarHBondContact OD2-NZ 2.79Å; E233-K235 PolarHBondContact O-N 2.99Å; K235-R272 PolarHBondContact O-N 3.39Å
236T88.4Confident83Confident39 Ų3965.5 Ų65.524%0.23935%0.353CS..EExtended strand (participates in β ladder)trans-125.6155.6-174.648.20000112.2A226 K234 I269 I270A226-T236 PolarHBondContact O-OG1 2.85Å; K234-T236 VanDerWaalsContact C-N 3.32Å; K234-T236 PolarHBondContact O-N 2.77Å; T236-I269 HydrophobicContact CG2-CG2 4.07Å; T236-I270 CarbonylContact C-O 3.49Å; T236-I270 VanDerWaalsContact CA-O 3.22Å; T236-I270 WeakPolarHBondContact CA-O 3.47Å; T236-I270 WeakPolarHBondContact CB-O 3.37Å
237Q91.6Very high83.5Confident27 Ų2767.4 Ų67.413%0.12636%0.363CS..EExtended strand (participates in β ladder)trans-112.2143.8169.7-66.9-175.1-64.600110.2E244 I269 I270 R272Q237-E244 PolarHBondContact NE2-OE2 3.37Å; Q237-E244 VanDerWaalsContact NE2-OE2 3.08Å; Q237-I269 WeakPolarHBondContact O-CA 3.48Å; Q237-I270 HydrophobicContact CB-CG1 4.03Å; Q237-I270 PolarHBondContact N-O 3.33Å; Q237-I270 PolarHBondContact O-N 2.83Å; Q237-I270 VanDerWaalsContact O-N 3.12Å; Q237-R272 HydrophobicContact CG-CB 4.11Å; Q237-R272 HydrophobicContact CG-CG 4.26Å
238V95.1Very high84.2Confident7 Ų771.4 Ų71.44%0.04238%0.381CS..EExtended strand (participates in β ladder)trans-104.2101.7175.4-176.70000107.8L215 L219 E244 L247 I267 I269L215-V238 HydrophobicContact CD2-CG1 4.12Å; L219-V238 HydrophobicContact CD1-CB 4.39Å; L219-V238 HydrophobicContact CD1-CG1 3.91Å; L219-V238 HydrophobicContact CD1-CG2 3.62Å; V238-E244 WeakPolarHBondContact O-CA 3.37Å; V238-L247 HydrophobicContact CG2-CD2 4.5Å; V238-I267 HydrophobicContact CG1-CG2 3.59Å; V238-I269 HydrophobicContact CB-CD1 4.33Å; V238-I269 HydrophobicContact CG1-CD1 4.1Å; V238-I269 HydrophobicContact CG2-CD1 3.97Å
239M96.9Very high85.6Confident17 Ų1768.7 Ų68.78%0.08436%0.364CS..EExtended strand (participates in β ladder)trans-106.3133.1-171.9-163.9175.8-69.800111.8D88 I243 S268 I270D88-M239 HydrophobicContact CB-CG 4.2Å; D88-M239 HydrophobicContact CB-SD 3.64Å; D88-M239 VanDerWaalsContact CG-SD 3.6Å; M239-I243 VanDerWaalsContact CA-O 3.31Å; M239-I243 WeakPolarHBondContact CA-O 3.41Å; M239-S268 PolarHBondContact N-O 3.29Å; M239-S268 PolarHBondContact O-N 2.95Å; M239-I270 HydrophobicContact CE-CD1 3.38Å; M239-I270 HydrophobicContact CE-CG1 4.42Å; M239-I270 HydrophobicContact SD-CD1 4.24Å
240I98.6Very high87.2Confident0 Ų067.9 Ų67.90%036%0.359CS..BIsolated β-bridgetrans-136.4121.8173.3-51.3-177.5000107.1G242 I243 P245 M258 L265 I267I240-G242 PolarHBondContact O-N 3.47Å; I240-I243 PolarHBondContact N-O 2.95Å; I240-I243 WeakPolarHBondContact O-CG1 3.48Å; I240-I243 PolarHBondContact O-N 3.17Å; I240-I243 VanDerWaalsContact O-N 3.16Å; I240-P245 HydrophobicContact CB-CG 4.24Å; I240-P245 HydrophobicContact CD1-CG 4.15Å; I240-P245 HydrophobicContact CG1-CG 4.28Å; I240-M258 HydrophobicContact CG2-CB 4.22Å; I240-M258 HydrophobicContact CG2-CE 4.24Å; I240-L265 HydrophobicContact CD1-CD1 4.09Å; I240-L265 HydrophobicContact CD1-CD2 4.3Å; I240-L265 HydrophobicContact CD1-CG 4.23Å; I240-L265 HydrophobicContact CG2-CD1 3.9Å; I240-I267 HydrophobicContact CD1-CD1 4.45Å; I240-I267 HydrophobicContact CD1-CG1 3.9Å; I240-I267 HydrophobicContact CD1-CG2 4.47Å; I240-I267 HydrophobicContact CG1-CB 4.45Å; I240-I267 HydrophobicContact CG1-CG1 4.14Å; I240-I267 HydrophobicContact CG1-CG2 4.21Å
241H98.5Very high89.1Confident16 Ų1659.8 Ų59.87%0.07432%0.321CS..THydrogen-bonded Turntrans53.634.6-177.2-72.3-70000114.4V11 D88 I243 M258 Y260V11-H241 WeakPolarHBondContact CG1-NE2 3.49Å; D88-H241 PolarHBondContact OD2-N 2.77Å; H241-I243 VanDerWaalsContact C-N 3.3Å; H241-I243 PolarHBondContact O-N 3.45Å; H241-M258 HydrophobicContact CB-CE 4.06Å; H241-M258 PolarHBondContact CD2-O 3.03Å; H241-M258 PolarHBondContact NE2-O 2.79Å; H241-M258 VanDerWaalsContact NE2-O 3.08Å; H241-Y260 AromaticContact CD2-CE2 3.95Å; H241-Y260 AromaticContact CE1-CD1 3.79Å; H241-Y260 AromaticContact CE1-CD2 3.37Å; H241-Y260 WeakPolarHBondContact CE1-CD2 3.33Å; H241-Y260 AromaticContact CE1-CE1 3.55Å; H241-Y260 AromaticContact CE1-CE2 3.12Å; H241-Y260 WeakPolarHBondContact CE1-CE2 3.4Å; H241-Y260 AromaticContact CE1-CG 3.72Å; H241-Y260 AromaticContact CE1-CZ 3.22Å; H241-Y260 AromaticContact ND1-CE2 3.67Å; H241-Y260 AromaticContact ND1-CZ 3.5Å; H241-Y260 AromaticContact NE2-CD2 3.35Å; H241-Y260 VanDerWaalsContact NE2-CD2 3.35Å; H241-Y260 WeakPolarHBondContact NE2-CD2 3.02Å; H241-Y260 AromaticContact NE2-CE2 3.3Å; H241-Y260 VanDerWaalsContact NE2-CE2 3.3Å; H241-Y260 WeakPolarHBondContact NE2-CE2 3.48Å; H241-Y260 AromaticContact NE2-CG 3.99Å; H241-Y260 AromaticContact NE2-CZ 3.9Å
242G97.2Very high90.8Very high30 Ų3054.4 Ų54.431%0.30929%0.292SS..THydrogen-bonded Turntrans77.77.9178.400000115.3D88 I240D88-G242 WeakPolarHBondContact OD1-CA 3.45Å; D88-G242 PolarHBondContact OD1-N 3.3Å; D88-G242 PolarHBondContact OD2-N 2.74Å; I240-G242 PolarHBondContact O-N 3.47Å
243I97.4Very high92.7Very high98 Ų9855 Ų5550%0.50327%0.274SS..BIsolated β-bridgetrans-120163.8174.365.6165.7000110.7M239 I240 H241 P245 M258M239-I243 VanDerWaalsContact CA-O 3.31Å; M239-I243 WeakPolarHBondContact CA-O 3.41Å; I240-I243 PolarHBondContact N-O 2.95Å; I240-I243 WeakPolarHBondContact O-CG1 3.48Å; I240-I243 PolarHBondContact O-N 3.17Å; I240-I243 VanDerWaalsContact O-N 3.16Å; H241-I243 VanDerWaalsContact C-N 3.3Å; H241-I243 PolarHBondContact O-N 3.45Å; I243-P245 HydrophobicContact CG1-CG 4.49Å; I243-P245 WeakPolarHBondContact O-CD 3.46Å; I243-M258 HydrophobicContact CD1-CE 3.76Å; I243-M258 HydrophobicContact CG1-CE 4.03Å
244E96.3Very high94.4Very high78 Ų7848 Ų4836%0.36424%0.241SC..  trans-108.793176.4-174.3172-172.200109.3Q237 V238 R272Q237-E244 PolarHBondContact NE2-OE2 3.37Å; Q237-E244 VanDerWaalsContact NE2-OE2 3.08Å; V238-E244 WeakPolarHBondContact O-CA 3.37Å; E244-R272 IonicContact OE1-NH2 3.41Å; E244-R272 PolarHBondContact OE1-NH2 3.07Å; E244-R272 IonicContact OE2-NH2 3.32Å; E244-R272 PolarHBondContact OE2-NH2 3.2Å
245P97.2Very high96Very high18 Ų1842.1 Ų42.112%0.11722%0.216CC..  trans-63.8151178.1-20.833.6000111.9L215 I240 I243 L254L215-P245 HydrophobicContact CD2-CB 4.11Å; I240-P245 HydrophobicContact CB-CG 4.24Å; I240-P245 HydrophobicContact CD1-CG 4.15Å; I240-P245 HydrophobicContact CG1-CG 4.28Å; I243-P245 HydrophobicContact CG1-CG 4.49Å; I243-P245 WeakPolarHBondContact O-CD 3.46Å; P245-L254 HydrophobicContact CB-CD2 4.42Å; P245-L254 HydrophobicContact CG-CD2 4.46Å
246M96.9Very high96.9Very high122 Ų12238.5 Ų38.560%0.60120%0.2SC*.  trans-64.6142.8174.6-59-175.681.300110.6E248 T249M246-E248 HydrophobicContact CB-CG 4.07Å; M246-E248 WeakPolarHBondContact CB-OE2 3.41Å; M246-E248 WeakPolarHBondContact CE-OE1 3.46Å; M246-E248 PolarHBondContact O-N 3.48Å; M246-T249 VanDerWaalsContact O-CB 3.23Å; M246-T249 WeakPolarHBondContact O-CB 3.39Å; M246-T249 PolarHBondContact O-N 2.91Å; M246-T249 PolarHBondContact O-OG1 2.86Å
247L96.3Very high97.4Very high46 Ų4637.8 Ų37.824%0.24119%0.194CC..THydrogen-bonded Turntrans-68.4-21.7-176-67.4-178000112.7T214 L215 G216 L219 I227 V238 T249T214-L247 WeakPolarHBondContact CB-O 3.39Å; T214-L247 PolarHBondContact OG1-O 3.47Å; L215-L247 HydrophobicContact CD2-CD2 4.39Å; L215-L247 HydrophobicContact CG-CD2 4.32Å; L215-L247 PolarHBondContact N-O 3.32Å; G216-L247 PolarHBondContact N-O 2.69Å; L219-L247 HydrophobicContact CD1-CD2 3.87Å; I227-L247 HydrophobicContact CG2-CD1 4.12Å; I227-L247 HydrophobicContact CG2-CD2 4.33Å; V238-L247 HydrophobicContact CG2-CD2 4.5Å; L247-T249 VanDerWaalsContact C-N 3.26Å
248E97.4Very high97.7Very high117 Ų11737 Ų3755%0.54719%0.191SC..THydrogen-bonded Turntrans-77.2-7.6172.759.2-96.7-129.100113.7T214 M246 P250T214-E248 VanDerWaalsContact CG2-O 3.31Å; T214-E248 WeakPolarHBondContact CG2-O 3.47Å; M246-E248 HydrophobicContact CB-CG 4.07Å; M246-E248 WeakPolarHBondContact CB-OE2 3.41Å; M246-E248 WeakPolarHBondContact CE-OE1 3.46Å; M246-E248 PolarHBondContact O-N 3.48Å; E248-P250 WeakPolarHBondContact O-CD 3.35Å
249T98.3Very high97.9Very high26 Ų2637 Ų3716%0.1619%0.192CC..SBendtrans-60127.2179.8-49.90000110T214 L215 M246 L247 I251 W253 L254T214-T249 CarbonylContact C-O 3.42Å; T214-T249 VanDerWaalsContact CA-O 3.31Å; T214-T249 WeakPolarHBondContact CA-O 3.49Å; L215-T249 PolarHBondContact N-O 2.96Å; M246-T249 VanDerWaalsContact O-CB 3.23Å; M246-T249 WeakPolarHBondContact O-CB 3.39Å; M246-T249 PolarHBondContact O-N 2.91Å; M246-T249 PolarHBondContact O-OG1 2.86Å; L247-T249 VanDerWaalsContact C-N 3.26Å; T249-I251 PolarHBondContact O-N 3.33Å; T249-W253 HydrophobicContact CG2-CE3 3.91Å; T249-W253 HydrophobicContact CG2-CZ3 4.23Å; T249-L254 HydrophobicContact CG2-CD1 4.08Å; T249-L254 HydrophobicContact CG2-CD2 3.91Å; T249-L254 HydrophobicContact CG2-CG 3.72Å
250P98.3Very high98Very high49 Ų4936.4 Ų36.432%0.31819%0.188SC..BIsolated β-bridgetrans-58.4128.5178.9-25.834.9000112L212 E248 Q252 W253 L254L212-P250 HydrophobicContact CD1-CB 4.28Å; E248-P250 WeakPolarHBondContact O-CD 3.35Å; P250-Q252 VanDerWaalsContact C-N 3.28Å; P250-Q252 PolarHBondContact O-N 3.35Å; P250-W253 HydrophobicContact CB-CB 4.2Å; P250-W253 PolarHBondContact O-N 3.09Å; P250-L254 PolarHBondContact O-N 3.17Å; P250-L254 VanDerWaalsContact O-N 3.08Å
251I98.4Very high98Very high0 Ų036.7 Ų36.70%019%0.19CC..Hα-helixtrans-68.9-30-174.7-164.160.1000112.4I185 F203 P205 H213 L215 L218 T249 L254 S255 L265I185-I251 HydrophobicContact CD1-CG2 4.43Å; I185-I251 HydrophobicContact CG1-CG1 4.05Å; I185-I251 HydrophobicContact CG1-CG2 4.05Å; I185-I251 HydrophobicContact CG2-CG1 4.17Å; F203-I251 HydrophobicContact CE1-CG2 4.12Å; P205-I251 HydrophobicContact CB-CG2 4.08Å; H213-I251 HydrophobicContact CB-CG2 4.11Å; H213-I251 WeakPolarHBondContact O-CG2 3.36Å; H213-I251 PolarHBondContact O-N 3.1Å; L215-I251 HydrophobicContact CD1-CD1 4.27Å; L218-I251 HydrophobicContact CD2-CD1 3.72Å; L218-I251 HydrophobicContact CD2-CG1 4.22Å; T249-I251 PolarHBondContact O-N 3.33Å; I251-L254 HydrophobicContact CD1-CB 4.41Å; I251-L254 HydrophobicContact CD1-CD1 4.1Å; I251-L254 PolarHBondContact O-N 2.97Å; I251-S255 WeakPolarHBondContact O-CB 3.25Å; I251-S255 PolarHBondContact O-N 2.95Å; I251-L265 HydrophobicContact CD1-CD2 3.75Å
252Q98Very high98Very high5 Ų536.1 Ų36.12%0.02319%0.188CC..Hα-helixtrans-61.2-48.5173.9-178.556.741.400110.5F182 P205 P250 L254 S255 E256F182-Q252 VanDerWaalsContact CD2-NE2 3.25Å; P205-Q252 HydrophobicContact CB-CB 3.94Å; P205-Q252 VanDerWaalsContact CG-OE1 3.32Å; P250-Q252 VanDerWaalsContact C-N 3.28Å; P250-Q252 PolarHBondContact O-N 3.35Å; Q252-L254 PolarHBondContact O-N 3.48Å; Q252-S255 WeakPolarHBondContact O-CB 3.31Å; Q252-S255 PolarHBondContact O-N 3.38Å; Q252-S255 VanDerWaalsContact O-N 3.15Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.41Å; Q252-E256 PolarHBondContact NE2-OE1 3.47Å; Q252-E256 WeakPolarHBondContact O-CG 3.48Å; Q252-E256 PolarHBondContact O-N 3.08Å
253W97.8Very high98.1Very high77 Ų7734.7 Ų34.729%0.29217%0.173SC..Hα-helixtrans-63-42177.6-177.493.3000111.6D4 V7 T249 P250 S255 E256 H257 M258D4-W253 PolarHBondContact OD1-NE1 3.49Å; V7-W253 HydrophobicContact CG1-CH2 4.02Å; V7-W253 HydrophobicContact CG1-CZ2 4.33Å; V7-W253 HydrophobicContact CG2-CH2 4.4Å; V7-W253 HydrophobicContact CG2-CZ2 4.29Å; T249-W253 HydrophobicContact CG2-CE3 3.91Å; T249-W253 HydrophobicContact CG2-CZ3 4.23Å; P250-W253 HydrophobicContact CB-CB 4.2Å; P250-W253 PolarHBondContact O-N 3.09Å; W253-S255 VanDerWaalsContact C-N 3.32Å; W253-S255 PolarHBondContact O-N 2.95Å; W253-E256 PolarHBondContact O-N 3.32Å; W253-H257 AromaticContact CD1-CE1 3.41Å; W253-H257 VanDerWaalsContact CD1-CE1 3.41Å; W253-H257 AromaticContact CD1-ND1 3.3Å; W253-H257 VanDerWaalsContact CD1-ND1 3.3Å; W253-H257 HydrophobicContact CD2-CB 4.34Å; W253-H257 AromaticContact CD2-ND1 3.68Å; W253-H257 AromaticContact CE2-CG 3.76Å; W253-H257 AromaticContact CE2-ND1 3.54Å; W253-H257 AromaticContact CG-ND1 3.54Å; W253-H257 HydrophobicContact CH2-CB 4.21Å; W253-H257 HydrophobicContact CZ2-CB 4.02Å; W253-H257 HydrophobicContact CZ3-CB 4.45Å; W253-H257 AromaticContact NE1-CE1 3.47Å; W253-H257 PolarHBondContact NE1-CE1 3.4Å; W253-H257 AromaticContact NE1-CG 3.82Å; W253-H257 AromaticContact NE1-ND1 3.3Å; W253-H257 PolarHBondContact NE1-ND1 3.05Å; W253-H257 WeakPolarHBondContact O-CB 3.29Å; W253-H257 PolarHBondContact O-N 2.99Å; W253-H257 PolarHBondContact O-ND1 2.82Å; W253-M258 HydrophobicContact CZ3-CG 4.15Å
254L98.6Very high98.1Very high2 Ų230 Ų301%0.0115%0.149CC..Hα-helixtrans-59.7-42.3173.6-75.5173000111.9L215 P245 T249 P250 I251 Q252 E256 H257 M258 S259 L265L215-L254 HydrophobicContact CB-CD1 3.85Å; L215-L254 HydrophobicContact CD1-CD1 4.32Å; L215-L254 HydrophobicContact CD2-CD1 4.11Å; L215-L254 HydrophobicContact CG-CD1 4.32Å; P245-L254 HydrophobicContact CB-CD2 4.42Å; P245-L254 HydrophobicContact CG-CD2 4.46Å; T249-L254 HydrophobicContact CG2-CD1 4.08Å; T249-L254 HydrophobicContact CG2-CD2 3.91Å; T249-L254 HydrophobicContact CG2-CG 3.72Å; P250-L254 PolarHBondContact O-N 3.17Å; P250-L254 VanDerWaalsContact O-N 3.08Å; I251-L254 HydrophobicContact CD1-CB 4.41Å; I251-L254 HydrophobicContact CD1-CD1 4.1Å; I251-L254 PolarHBondContact O-N 2.97Å; Q252-L254 PolarHBondContact O-N 3.48Å; L254-E256 VanDerWaalsContact C-N 3.28Å; L254-E256 PolarHBondContact O-N 2.94Å; L254-H257 PolarHBondContact O-N 3.07Å; L254-M258 HydrophobicContact CD2-CB 4.06Å; L254-M258 HydrophobicContact CD2-CG 3.72Å; L254-M258 CarbonylContact O-C 3.57Å; L254-M258 WeakPolarHBondContact O-CA 3.16Å; L254-M258 WeakPolarHBondContact O-CB 3.28Å; L254-M258 PolarHBondContact O-N 3.19Å; L254-S259 PolarHBondContact O-N 3.48Å; L254-L265 HydrophobicContact CB-CD1 4.36Å; L254-L265 HydrophobicContact CB-CD2 3.95Å
255S98.6Very high98.3Very high0 Ų026.3 Ų26.30%013%0.132CC..Hα-helixtrans-64.3-32.9177.9-170.40000112.7I251 Q252 W253 S259I251-S255 WeakPolarHBondContact O-CB 3.25Å; I251-S255 PolarHBondContact O-N 2.95Å; Q252-S255 WeakPolarHBondContact O-CB 3.31Å; Q252-S255 PolarHBondContact O-N 3.38Å; Q252-S255 VanDerWaalsContact O-N 3.15Å; W253-S255 VanDerWaalsContact C-N 3.32Å; W253-S255 PolarHBondContact O-N 2.95Å; S255-S259 WeakPolarHBondContact O-CB 3.31Å; S255-S259 PolarHBondContact O-OG 3.15Å
256E98.3Very high98.3Very high34 Ų3425.6 Ų25.616%0.15913%0.127CC..Hα-helixtrans-76.7-39.4177.6-71.1164.3-16300112.3Y175 F182 Q252 W253 L254Y175-E256 WeakPolarHBondContact CE1-OE1 3.5Å; Y175-E256 PolarHBondContact OH-OE1 3.5Å; F182-E256 HydrophobicContact CE2-CG 4.12Å; F182-E256 HydrophobicContact CZ-CG 3.98Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.41Å; Q252-E256 PolarHBondContact NE2-OE1 3.47Å; Q252-E256 WeakPolarHBondContact O-CG 3.48Å; Q252-E256 PolarHBondContact O-N 3.08Å; W253-E256 PolarHBondContact O-N 3.32Å; L254-E256 VanDerWaalsContact C-N 3.28Å; L254-E256 PolarHBondContact O-N 2.94Å
257H98.6Very high98.4Very high24 Ų2419.8 Ų19.811%0.11110%0.098CC..Hα-helixtrans-110.6-24.4-164.8-57.988.5000115.4V7 L8 W253 L254V7-H257 HydrophobicContact CG1-CB 4.16Å; L8-H257 HydrophobicContact CD2-CB 4.19Å; W253-H257 AromaticContact CD1-CE1 3.41Å; W253-H257 VanDerWaalsContact CD1-CE1 3.41Å; W253-H257 AromaticContact CD1-ND1 3.3Å; W253-H257 VanDerWaalsContact CD1-ND1 3.3Å; W253-H257 HydrophobicContact CD2-CB 4.34Å; W253-H257 AromaticContact CD2-ND1 3.68Å; W253-H257 AromaticContact CE2-CG 3.76Å; W253-H257 AromaticContact CE2-ND1 3.54Å; W253-H257 AromaticContact CG-ND1 3.54Å; W253-H257 HydrophobicContact CH2-CB 4.21Å; W253-H257 HydrophobicContact CZ2-CB 4.02Å; W253-H257 HydrophobicContact CZ3-CB 4.45Å; W253-H257 AromaticContact NE1-CE1 3.47Å; W253-H257 PolarHBondContact NE1-CE1 3.4Å; W253-H257 AromaticContact NE1-CG 3.82Å; W253-H257 AromaticContact NE1-ND1 3.3Å; W253-H257 PolarHBondContact NE1-ND1 3.05Å; W253-H257 WeakPolarHBondContact O-CB 3.29Å; W253-H257 PolarHBondContact O-N 2.99Å; W253-H257 PolarHBondContact O-ND1 2.82Å; L254-H257 PolarHBondContact O-N 3.07Å
258M98.8Very high98.5Very high10 Ų1017.7 Ų17.75%0.0499%0.087CC..SBendtrans-1198.1-174.9-62.2-69.8-69.500112.5V7 V11 I240 H241 I243 W253 L254 L265V7-M258 HydrophobicContact CG1-SD 3.97Å; V11-M258 HydrophobicContact CG2-CE 4.29Å; V11-M258 HydrophobicContact CG2-SD 3.45Å; V11-M258 WeakPolarHBondContact CG2-SD 3.16Å; I240-M258 HydrophobicContact CG2-CB 4.22Å; I240-M258 HydrophobicContact CG2-CE 4.24Å; H241-M258 HydrophobicContact CB-CE 4.06Å; H241-M258 PolarHBondContact CD2-O 3.03Å; H241-M258 PolarHBondContact NE2-O 2.79Å; H241-M258 VanDerWaalsContact NE2-O 3.08Å; I243-M258 HydrophobicContact CD1-CE 3.76Å; I243-M258 HydrophobicContact CG1-CE 4.03Å; W253-M258 HydrophobicContact CZ3-CG 4.15Å; L254-M258 HydrophobicContact CD2-CB 4.06Å; L254-M258 HydrophobicContact CD2-CG 3.72Å; L254-M258 CarbonylContact O-C 3.57Å; L254-M258 WeakPolarHBondContact O-CA 3.16Å; L254-M258 WeakPolarHBondContact O-CB 3.28Å; L254-M258 PolarHBondContact O-N 3.19Å; M258-L265 HydrophobicContact CB-CD1 3.97Å; M258-L265 WeakPolarHBondContact O-CD1 3.47Å
259S98.9Very high98.4Very high9 Ų912.4 Ų12.46%0.0636%0.063CC..  trans-72.5148.2168.8-680000110.7L254 S255 F264L254-S259 PolarHBondContact O-N 3.48Å; S255-S259 WeakPolarHBondContact O-CB 3.31Å; S255-S259 PolarHBondContact O-OG 3.15Å; S259-F264 WeakPolarHBondContact CA-O 3.27Å
260Y98.9Very high98.1Very high3 Ų311.4 Ų11.41%0.0126%0.056CC..  trans-68.5167.1170-78.7-110000110.6R41 P82 L85 H241 D262 N263 F264 H266R41-Y260 WeakPolarHBondContact O-CE1 3.28Å; P82-Y260 HydrophobicContact CB-CD1 3.33Å; P82-Y260 HydrophobicContact CB-CE1 3.24Å; P82-Y260 HydrophobicContact CB-CG 4.32Å; P82-Y260 HydrophobicContact CG-CD1 3.65Å; P82-Y260 HydrophobicContact CG-CE1 3.98Å; P82-Y260 HydrophobicContact CG-CG 4.2Å; L85-Y260 PolarHBondContact N-OH 3.45Å; H241-Y260 AromaticContact CD2-CE2 3.95Å; H241-Y260 AromaticContact CE1-CD1 3.79Å; H241-Y260 AromaticContact CE1-CD2 3.37Å; H241-Y260 WeakPolarHBondContact CE1-CD2 3.33Å; H241-Y260 AromaticContact CE1-CE1 3.55Å; H241-Y260 AromaticContact CE1-CE2 3.12Å; H241-Y260 WeakPolarHBondContact CE1-CE2 3.4Å; H241-Y260 AromaticContact CE1-CG 3.72Å; H241-Y260 AromaticContact CE1-CZ 3.22Å; H241-Y260 AromaticContact ND1-CE2 3.67Å; H241-Y260 AromaticContact ND1-CZ 3.5Å; H241-Y260 AromaticContact NE2-CD2 3.35Å; H241-Y260 VanDerWaalsContact NE2-CD2 3.35Å; H241-Y260 WeakPolarHBondContact NE2-CD2 3.02Å; H241-Y260 AromaticContact NE2-CE2 3.3Å; H241-Y260 VanDerWaalsContact NE2-CE2 3.3Å; H241-Y260 WeakPolarHBondContact NE2-CE2 3.48Å; H241-Y260 AromaticContact NE2-CG 3.99Å; H241-Y260 AromaticContact NE2-CZ 3.9Å; Y260-D262 WeakPolarHBondContact CB-OD1 3.45Å; Y260-D262 PolarHBondContact O-N 3.13Å; Y260-N263 WeakPolarHBondContact O-CA 3.47Å; Y260-N263 PolarHBondContact O-N 3.18Å; Y260-F264 PolarHBondContact N-O 3.47Å; Y260-H266 HydrophobicContact CD2-CB 4.07Å; Y260-H266 AromaticContact CD2-CD2 3.45Å; Y260-H266 VanDerWaalsContact CD2-CD2 3.45Å; Y260-H266 WeakPolarHBondContact CD2-CD2 3.43Å; Y260-H266 HydrophobicContact CE2-CB 3.87Å; Y260-H266 AromaticContact CG-CD2 3.69Å
261P98.9Very high97.6Very high7 Ų712.8 Ų12.85%0.0457%0.066CC..THydrogen-bonded Turntrans-56.7-22.5178.1-29.137.7000114.3W12 I42 F125 L157 F165 N263W12-P261 HydrophobicContact CE3-CG 4.41Å; W12-P261 HydrophobicContact CZ3-CB 4.41Å; W12-P261 HydrophobicContact CZ3-CG 3.97Å; I42-P261 HydrophobicContact CB-CG 3.76Å; I42-P261 HydrophobicContact CD1-CG 3.88Å; I42-P261 HydrophobicContact CG1-CG 4.35Å; I42-P261 HydrophobicContact CG2-CG 4.36Å; F125-P261 HydrophobicContact CE2-CB 3.94Å; F125-P261 HydrophobicContact CZ-CB 4.35Å; L157-P261 HydrophobicContact CD1-CB 4.16Å; L157-P261 HydrophobicContact CD1-CG 3.99Å; F165-P261 HydrophobicContact CE1-CB 4.22Å; F165-P261 HydrophobicContact CE2-CB 3.97Å; F165-P261 HydrophobicContact CZ-CB 3.66Å; F165-P261 WeakPolarHBondContact CZ-O 3.29Å; P261-N263 PolarHBondContact O-N 2.89Å; P261-N263 PolarHBondContact O-ND2 2.71Å; P261-N263 VanDerWaalsContact O-ND2 3.11Å
262D98.8Very high97Very high3 Ų317.9 Ų17.92%0.0169%0.085CC..THydrogen-bonded Turntrans-77.13.717464.96.6000114.1F125 C128 Y260 F264 H266F125-D262 HydrophobicContact CD2-CB 4.16Å; F125-D262 HydrophobicContact CE2-CB 4.26Å; C128-D262 CarbonylContact C-O 3.48Å; C128-D262 HydrophobicContact CB-CB 3.76Å; Y260-D262 WeakPolarHBondContact CB-OD1 3.45Å; Y260-D262 PolarHBondContact O-N 3.13Å; D262-F264 VanDerWaalsContact C-N 3.28Å; D262-F264 PolarHBondContact O-N 2.91Å; D262-F264 PolarHBondContact OD1-N 2.94Å; D262-H266 IonicContact OD1-NE2 3.33Å; D262-H266 PolarHBondContact OD1-NE2 3.3Å; D262-H266 IonicContact OD2-CE1 3.04Å; D262-H266 IonicContact OD2-NE2 3.75Å; D262-H266 PolarHBondContact OD2-NE2 3.07Å; D262-H266 VanDerWaalsContact OD2-NE2 3.1Å
263N98.9Very high96.2Very high0 Ų020.5 Ų20.50%010%0.102CC..SBendtrans69.916178-72.6-145.1000114.5A132 K136 N169 L172 M173 P186 Y260 P261A132-N263 HydrophobicContact CB-CB 3.52Å; K136-N263 PolarHBondContact NZ-OD1 2.81Å; N169-N263 PolarHBondContact OD1-ND2 3.17Å; L172-N263 WeakPolarHBondContact CB-OD1 3.45Å; M173-N263 HydrophobicContact CE-CB 4.1Å; M173-N263 VanDerWaalsContact CE-CG 3.4Å; M173-N263 VanDerWaalsContact CE-OD1 3.27Å; M173-N263 WeakPolarHBondContact CE-OD1 3.48Å; P186-N263 WeakPolarHBondContact CB-O 3.14Å; Y260-N263 WeakPolarHBondContact O-CA 3.47Å; Y260-N263 PolarHBondContact O-N 3.18Å; P261-N263 PolarHBondContact O-N 2.89Å; P261-N263 PolarHBondContact O-ND2 2.71Å; P261-N263 VanDerWaalsContact O-ND2 3.11Å
264F98.9Very high95.1Very high0 Ų023.4 Ų23.40%013%0.128CC..  trans-100.9139.6171.5-84.7-93.1000112.3C128 E131 A132 L135 P186 R188 S259 Y260 D262 H266C128-F264 HydrophobicContact CB-CD2 4.38Å; C128-F264 HydrophobicContact CB-CE2 4.38Å; C128-F264 WeakPolarHBondContact O-CE2 3.37Å; E131-F264 HydrophobicContact CB-CE2 4.18Å; E131-F264 HydrophobicContact CB-CZ 4.21Å; E131-F264 HydrophobicContact CG-CE2 4.35Å; E131-F264 HydrophobicContact CG-CZ 3.88Å; A132-F264 HydrophobicContact CB-CD2 3.99Å; A132-F264 HydrophobicContact CB-CE2 3.77Å; A132-F264 HydrophobicContact CB-CZ 4.42Å; L135-F264 HydrophobicContact CD1-CE1 4.29Å; L135-F264 HydrophobicContact CD1-CZ 4.33Å; P186-F264 HydrophobicContact CB-CD1 3.85Å; P186-F264 HydrophobicContact CB-CE1 3.91Å; P186-F264 HydrophobicContact CB-CG 4.18Å; P186-F264 HydrophobicContact CB-CZ 4.27Å; R188-F264 HydrophobicContact CG-CD1 3.98Å; R188-F264 HydrophobicContact CG-CE1 4.22Å; S259-F264 WeakPolarHBondContact CA-O 3.27Å; Y260-F264 PolarHBondContact N-O 3.47Å; D262-F264 VanDerWaalsContact C-N 3.28Å; D262-F264 PolarHBondContact O-N 2.91Å; D262-F264 PolarHBondContact OD1-N 2.94Å; F264-H266 WeakPolarHBondContact CB-NE2 3.38Å; F264-H266 PolarHBondContact O-CD2 3.21Å; F264-H266 PolarHBondContact O-N 3.37Å
265L98.8Very high93.2Very high0 Ų034.3 Ų34.30%019%0.187CC..EExtended strand (participates in β ladder)trans-82.6101.3164.6-167.366.3000108.7P186 F187 R188 I240 I251 L254 M258 I267P186-L265 PolarHBondContact O-N 3.16Å; F187-L265 VanDerWaalsContact CA-O 3.27Å; F187-L265 WeakPolarHBondContact CA-O 3.27Å; F187-L265 HydrophobicContact CB-CB 4.17Å; R188-L265 PolarHBondContact N-O 3.17Å; I240-L265 HydrophobicContact CD1-CD1 4.09Å; I240-L265 HydrophobicContact CD1-CD2 4.3Å; I240-L265 HydrophobicContact CD1-CG 4.23Å; I240-L265 HydrophobicContact CG2-CD1 3.9Å; I251-L265 HydrophobicContact CD1-CD2 3.75Å; L254-L265 HydrophobicContact CB-CD1 4.36Å; L254-L265 HydrophobicContact CB-CD2 3.95Å; M258-L265 HydrophobicContact CB-CD1 3.97Å; M258-L265 WeakPolarHBondContact O-CD1 3.47Å; L265-I267 HydrophobicContact CD2-CD1 4.01Å; L265-I267 HydrophobicContact CD2-CG1 4.32Å; L265-I267 HydrophobicContact CG-CD1 4.21Å; L265-I267 HydrophobicContact CG-CG1 4Å
266H98.8Very high93Very high4 Ų436.1 Ų36.12%0.01920%0.196CC..EExtended strand (participates in β ladder)trans-87.9119.4175.9-63.9-84000109.9L85 Y190 Y260 D262 F264L85-H266 HydrophobicContact CB-CB 4.5Å; L85-H266 HydrophobicContact CD1-CB 4.29Å; L85-H266 HydrophobicContact CD2-CB 4.22Å; Y190-H266 HydrophobicContact CE2-CB 3.9Å; Y190-H266 AromaticContact CE2-ND1 3.38Å; Y190-H266 WeakPolarHBondContact CE2-ND1 3.34Å; Y190-H266 AromaticContact CZ-ND1 3.47Å; Y190-H266 PolarHBondContact OH-CE1 2.88Å; Y190-H266 VanDerWaalsContact OH-CE1 3.3Å; Y190-H266 PolarHBondContact OH-ND1 3.36Å; Y260-H266 HydrophobicContact CD2-CB 4.07Å; Y260-H266 AromaticContact CD2-CD2 3.45Å; Y260-H266 VanDerWaalsContact CD2-CD2 3.45Å; Y260-H266 WeakPolarHBondContact CD2-CD2 3.43Å; Y260-H266 HydrophobicContact CE2-CB 3.87Å; Y260-H266 AromaticContact CG-CD2 3.69Å; D262-H266 IonicContact OD1-NE2 3.33Å; D262-H266 PolarHBondContact OD1-NE2 3.3Å; D262-H266 IonicContact OD2-CE1 3.04Å; D262-H266 IonicContact OD2-NE2 3.75Å; D262-H266 PolarHBondContact OD2-NE2 3.07Å; D262-H266 VanDerWaalsContact OD2-NE2 3.1Å; F264-H266 WeakPolarHBondContact CB-NE2 3.38Å; F264-H266 PolarHBondContact O-CD2 3.21Å; F264-H266 PolarHBondContact O-N 3.37Å
267I98.6Very high92.7Very high0 Ų036.2 Ų36.20%020%0.198CC..EExtended strand (participates in β ladder)trans-120.5116.5-172.5-51.3171.6000108.9R188 I189 Y190 L215 L218 V238 I240 L265 I269R188-I267 PolarHBondContact O-N 2.82Å; I189-I267 CarbonylContact C-O 3.53Å; I189-I267 WeakPolarHBondContact CA-O 3.33Å; I189-I267 HydrophobicContact CG1-CB 4.2Å; I189-I267 HydrophobicContact CG1-CD1 4.15Å; Y190-I267 PolarHBondContact N-O 2.98Å; L215-I267 HydrophobicContact CD1-CD1 4.16Å; L218-I267 HydrophobicContact CD2-CD1 3.98Å; V238-I267 HydrophobicContact CG1-CG2 3.59Å; I240-I267 HydrophobicContact CD1-CD1 4.45Å; I240-I267 HydrophobicContact CD1-CG1 3.9Å; I240-I267 HydrophobicContact CD1-CG2 4.47Å; I240-I267 HydrophobicContact CG1-CB 4.45Å; I240-I267 HydrophobicContact CG1-CG1 4.14Å; I240-I267 HydrophobicContact CG1-CG2 4.21Å; L265-I267 HydrophobicContact CD2-CD1 4.01Å; L265-I267 HydrophobicContact CD2-CG1 4.32Å; L265-I267 HydrophobicContact CG-CD1 4.21Å; L265-I267 HydrophobicContact CG-CG1 4Å; I267-I269 HydrophobicContact CG2-CD1 4.14Å
268S97.5Very high92.4Very high1 Ų136.8 Ų36.81%0.00720%0.203CC..EExtended strand (participates in β ladder)trans-92.6127.7175.4-65.10000110.2L85 M239L85-S268 WeakPolarHBondContact CD1-OG 3.17Å; M239-S268 PolarHBondContact N-O 3.29Å; M239-S268 PolarHBondContact O-N 2.95Å
269I94.8Very high92Very high7 Ų738.4 Ų38.44%0.03621%0.212CC..EExtended strand (participates in β ladder)trans-103.1110.3167.3-47-58.5000107.2I189 Y190 Q191 L219 A226 T236 Q237 V238 I267I189-I269 HydrophobicContact CG2-CD1 4.1Å; I189-I269 HydrophobicContact CG2-CG1 3.5Å; I189-I269 VanDerWaalsContact CG2-CG1 3.5Å; Y190-I269 PolarHBondContact O-N 3.33Å; Q191-I269 HydrophobicContact CG-CB 4.04Å; Q191-I269 HydrophobicContact CG-CG1 4.23Å; L219-I269 HydrophobicContact CD2-CD1 4.2Å; A226-I269 HydrophobicContact CB-CD1 3.92Å; A226-I269 HydrophobicContact CB-CG1 4.11Å; A226-I269 HydrophobicContact CB-CG2 3.79Å; T236-I269 HydrophobicContact CG2-CG2 4.07Å; Q237-I269 WeakPolarHBondContact O-CA 3.48Å; V238-I269 HydrophobicContact CB-CD1 4.33Å; V238-I269 HydrophobicContact CG1-CD1 4.1Å; V238-I269 HydrophobicContact CG2-CD1 3.97Å; I267-I269 HydrophobicContact CG2-CD1 4.14Å
270I92.3Very high91.6Very high4 Ų440.3 Ų40.32%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-121.9156-177.363.7172.8000110.8L89 S92 T236 Q237 M239L89-I270 HydrophobicContact CD1-CG2 4.43Å; S92-I270 WeakPolarHBondContact OG-CD1 3.25Å; T236-I270 CarbonylContact C-O 3.49Å; T236-I270 VanDerWaalsContact CA-O 3.22Å; T236-I270 WeakPolarHBondContact CA-O 3.47Å; T236-I270 WeakPolarHBondContact CB-O 3.37Å; Q237-I270 HydrophobicContact CB-CG1 4.03Å; Q237-I270 PolarHBondContact N-O 3.33Å; Q237-I270 PolarHBondContact O-N 2.83Å; Q237-I270 VanDerWaalsContact O-N 3.12Å; M239-I270 HydrophobicContact CE-CD1 3.38Å; M239-I270 HydrophobicContact CE-CG1 4.42Å; M239-I270 HydrophobicContact SD-CD1 4.24Å
271P88.8Confident91.1Very high79 Ų7942.7 Ų42.751%0.51324%0.235SC..EExtended strand (participates in β ladder)trans-58.2140.1169.5-2133.4000110.7N93N93-P271 PolarHBondContact ND2-O 3.41Å; N93-P271 VanDerWaalsContact ND2-O 3.08Å
272R86.2Confident90.5Very high107 Ų10745.3 Ų45.340%0.40425%0.249SC..PPolyproline II helixtrans-65.7136.2170.4-176.7170.5-84.9-91-8.6108.8K235 Q237 E244 T274K235-R272 PolarHBondContact O-N 3.39Å; Q237-R272 HydrophobicContact CG-CB 4.11Å; Q237-R272 HydrophobicContact CG-CG 4.26Å; E244-R272 IonicContact OE1-NH2 3.41Å; E244-R272 PolarHBondContact OE1-NH2 3.07Å; E244-R272 IonicContact OE2-NH2 3.32Å; E244-R272 PolarHBondContact OE2-NH2 3.2Å; R272-T274 PolarHBondContact O-N 3.23Å
273P80.4Confident89.9Confident60 Ų6048.5 Ų48.539%0.3927%0.267SS..PPolyproline II helixtrans-53.7135.6173.9-20.424.4000110.8N93N93-P273 HydrophobicContact CB-CG 4.43Å; N93-P273 WeakPolarHBondContact OD1-CG 3.32Å
274T74Confident89.1Confident137 Ų13752.6 Ų52.684%0.8429%0.289SS*.  trans-92.4111.816252.50000106.4R272R272-T274 PolarHBondContact O-N 3.23Å
275D60.4Low88.2Confident232 Ų23257.4 Ų57.4100%1.24132%0.315SS*.  trans-57.20172.8-68.7-33.3000112

Retrieved 275 of 275 residues in 128.2 ms (Link to these results)

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