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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 A0A060XXI9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110486995, 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
1M52.1Low88.1Confident199 Ų19984.7 Ų84.798%0.9845%0.445SS*.  0-54.40-91.5-161.7-92.100113.6D4M1-D4 PolarHBondContact N-OD2 3.36Å
2A62.8Low89Confident67 Ų6778.2 Ų78.255%0.55441%0.41SS*.Hα-helixtrans-74.5-46.8168.300000110.5D4 K5 D6A2-D4 PolarHBondContact O-N 2.97Å; A2-K5 WeakPolarHBondContact O-CB 3.28Å; A2-K5 PolarHBondContact O-N 2.82Å; A2-K5 VanDerWaalsContact O-N 3.08Å; A2-D6 PolarHBondContact O-N 2.81Å
3D80.8Confident89.7Confident124 Ų12478.1 Ų78.166%0.66340%0.404SS*.Hα-helixtrans-59.7-41.6-177.6-46.7-23.9000113.1K5 D6 V7D3-K5 VanDerWaalsContact C-N 3.31Å; D3-K5 PolarHBondContact O-N 2.85Å; D3-D6 WeakPolarHBondContact O-CB 3.38Å; D3-D6 PolarHBondContact O-N 3.42Å; D3-V7 PolarHBondContact O-N 3.26Å
4D91.4Very high90.3Very high54 Ų5473.7 Ų73.729%0.28939%0.388SS..Hα-helixtrans-65.7-34.2177.5-53.6-63.2000112.6M1 A2 D6 V7 L8 W253M1-D4 PolarHBondContact N-OD2 3.36Å; A2-D4 PolarHBondContact O-N 2.97Å; D4-D6 VanDerWaalsContact C-N 3.29Å; D4-D6 PolarHBondContact O-N 3.25Å; D4-V7 WeakPolarHBondContact O-CB 3.49Å; D4-V7 PolarHBondContact O-N 3.03Å; D4-L8 WeakPolarHBondContact O-CG 3.29Å; D4-L8 PolarHBondContact O-N 3.13Å; D4-L8 VanDerWaalsContact O-N 3.15Å; D4-W253 PolarHBondContact OD1-NE1 2.96Å
5K93.1Very high90.9Very high107 Ų10773.7 Ų73.747%0.46538%0.38SS..Hα-helixtrans-68.5-33.6176.9-172.4-179.2178.6-176.10110.8A2 D3 L8 R9A2-K5 WeakPolarHBondContact O-CB 3.28Å; A2-K5 PolarHBondContact O-N 2.82Å; A2-K5 VanDerWaalsContact O-N 3.08Å; D3-K5 VanDerWaalsContact C-N 3.31Å; D3-K5 PolarHBondContact O-N 2.85Å; K5-L8 WeakPolarHBondContact O-CB 3.37Å; K5-L8 PolarHBondContact O-N 3.1Å; K5-R9 WeakPolarHBondContact O-CG 3.31Å; K5-R9 PolarHBondContact O-N 3.41Å; K5-R9 VanDerWaalsContact O-N 3.13Å
6D97.1Very high91.4Very high87 Ų8769.2 Ų69.247%0.46536%0.357SS..Hα-helixtrans-66.4-40.7175.5-65.9-27.8000110.6A2 D3 D4 L8 R9 D10A2-D6 PolarHBondContact O-N 2.81Å; D3-D6 WeakPolarHBondContact O-CB 3.38Å; D3-D6 PolarHBondContact O-N 3.42Å; D4-D6 VanDerWaalsContact C-N 3.29Å; D4-D6 PolarHBondContact O-N 3.25Å; D6-L8 VanDerWaalsContact C-N 3.34Å; D6-L8 PolarHBondContact O-N 3.49Å; D6-R9 WeakPolarHBondContact O-CB 3.47Å; D6-R9 PolarHBondContact O-N 3.49Å; D6-D10 PolarHBondContact O-N 2.99Å
7V97.9Very high91.8Very high43 Ų4367.8 Ų67.826%0.26135%0.354SS..Hα-helixtrans-56-46.6171.3177.40000111.7D3 D4 R9 D10 V11 W253 H257 L258D3-V7 PolarHBondContact O-N 3.26Å; D4-V7 WeakPolarHBondContact O-CB 3.49Å; D4-V7 PolarHBondContact O-N 3.03Å; V7-R9 PolarHBondContact O-N 3.41Å; V7-D10 PolarHBondContact O-N 3.08Å; V7-V11 HydrophobicContact CG1-CG2 4.47Å; V7-V11 WeakPolarHBondContact O-CG2 3.4Å; V7-V11 PolarHBondContact O-N 3.45Å; V7-W253 HydrophobicContact CG1-CH2 4.1Å; V7-W253 HydrophobicContact CG1-CZ2 4.36Å; V7-W253 HydrophobicContact CG2-CZ2 4.35Å; V7-H257 HydrophobicContact CG1-CB 4.18Å; V7-L258 HydrophobicContact CG1-CD1 3.93Å
8L98.3Very high92.2Very high23 Ų2364.1 Ų64.112%0.1234%0.335CS..Hα-helixtrans-58.9-37.5177.1-64.2-178.5000112.5D4 K5 D6 W12 F162 W166 H257D4-L8 WeakPolarHBondContact O-CG 3.29Å; D4-L8 PolarHBondContact O-N 3.13Å; D4-L8 VanDerWaalsContact O-N 3.15Å; K5-L8 WeakPolarHBondContact O-CB 3.37Å; K5-L8 PolarHBondContact O-N 3.1Å; D6-L8 VanDerWaalsContact C-N 3.34Å; D6-L8 PolarHBondContact O-N 3.49Å; L8-W12 VanDerWaalsContact O-CB 3.29Å; L8-W12 WeakPolarHBondContact O-CB 3.32Å; L8-W12 PolarHBondContact O-N 3.28Å; L8-F162 HydrophobicContact CB-CE2 3.92Å; L8-F162 HydrophobicContact CB-CZ 4Å; L8-W166 HydrophobicContact CB-CZ2 4.41Å; L8-W166 HydrophobicContact CD1-CD2 4.23Å; L8-W166 HydrophobicContact CD1-CE3 4.22Å; L8-W166 HydrophobicContact CD1-CH2 3.99Å; L8-W166 HydrophobicContact CD1-CZ2 4.03Å; L8-W166 HydrophobicContact CD1-CZ3 4.09Å; L8-W166 HydrophobicContact CD2-CH2 3.63Å; L8-W166 HydrophobicContact CD2-CZ2 3.53Å; L8-W166 HydrophobicContact CD2-CZ3 4.5Å; L8-W166 HydrophobicContact CG-CH2 4.41Å; L8-W166 HydrophobicContact CG-CZ2 4.2Å; L8-H257 HydrophobicContact CD2-CB 4.14Å
9R98.2Very high92.5Very high87 Ų8761.2 Ų61.233%0.32832%0.32SS..Hα-helixtrans-72.1-42178.7-69.7-177.870.378.31.4111K5 D6 V7 W12 F13 F162K5-R9 WeakPolarHBondContact O-CG 3.31Å; K5-R9 PolarHBondContact O-N 3.41Å; K5-R9 VanDerWaalsContact O-N 3.13Å; D6-R9 WeakPolarHBondContact O-CB 3.47Å; D6-R9 PolarHBondContact O-N 3.49Å; V7-R9 PolarHBondContact O-N 3.41Å; R9-W12 PolarHBondContact O-N 3.1Å; R9-F13 HydrophobicContact CB-CD2 4.23Å; R9-F13 HydrophobicContact CB-CE2 4.44Å; R9-F13 WeakPolarHBondContact O-CB 3.38Å; R9-F13 WeakPolarHBondContact O-CD2 3.43Å; R9-F13 PolarHBondContact O-N 3.23Å; R9-F162 HydrophobicContact CB-CE2 4.47Å; R9-F162 HydrophobicContact CG-CD1 4.29Å; R9-F162 HydrophobicContact CG-CD2 4.25Å; R9-F162 HydrophobicContact CG-CE1 3.83Å; R9-F162 HydrophobicContact CG-CE2 3.76Å; R9-F162 HydrophobicContact CG-CZ 3.54Å
10D98.5Very high92.8Very high119 Ų11958.2 Ų58.264%0.63630%0.304SS*.Hα-helixtrans-63-43.2178-71.9-15.2000111.3D6 V7 G14D6-D10 PolarHBondContact O-N 2.99Å; V7-D10 PolarHBondContact O-N 3.08Å; D10-G14 PolarHBondContact O-N 2.81Å
11V98.5Very high93.1Very high22 Ų2258.1 Ų58.113%0.13331%0.306CS..Hα-helixtrans-58.6-49.8172.2167.80000111V7 G14 V42 H241 L258V7-V11 HydrophobicContact CG1-CG2 4.47Å; V7-V11 WeakPolarHBondContact O-CG2 3.4Å; V7-V11 PolarHBondContact O-N 3.45Å; V11-G14 PolarHBondContact O-N 3.39Å; V11-V42 HydrophobicContact CG1-CG1 4.24Å; V11-V42 VanDerWaalsContact O-CG1 3.31Å; V11-V42 WeakPolarHBondContact O-CG1 3.37Å; V11-H241 WeakPolarHBondContact CG1-NE2 3.2Å; V11-L258 HydrophobicContact CG2-CG 4.31Å
12W98.8Very high95.3Very high6 Ų649.3 Ų49.32%0.02326%0.263CS..Hα-helixtrans-63.4-45-178.3-177.3-82.5000113.2L8 R9 G14 R15 V42 G156 D160 F162 F165 P261L8-W12 VanDerWaalsContact O-CB 3.29Å; L8-W12 WeakPolarHBondContact O-CB 3.32Å; L8-W12 PolarHBondContact O-N 3.28Å; R9-W12 PolarHBondContact O-N 3.1Å; W12-G14 VanDerWaalsContact C-N 3.32Å; W12-R15 PolarHBondContact O-NH1 3.44Å; W12-V42 WeakPolarHBondContact O-CG2 3.38Å; W12-G156 WeakPolarHBondContact CZ2-O 3.15Å; W12-D160 PolarHBondContact NE1-OD1 2.93Å; W12-F162 HydrophobicContact CB-CD2 3.72Å; W12-F162 HydrophobicContact CB-CE2 4.26Å; W12-F162 HydrophobicContact CD2-CB 4.31Å; W12-F162 HydrophobicContact CD2-CD2 4Å; W12-F162 HydrophobicContact CE3-CD2 4.46Å; W12-F162 HydrophobicContact CG-CB 4.19Å; W12-F162 AromaticContact CG-CD2 3.65Å; W12-F162 HydrophobicContact CG-CD2 3.65Å; W12-F162 HydrophobicContact CG-CG 4.41Å; W12-F165 HydrophobicContact CE3-CD1 4.08Å; W12-F165 HydrophobicContact CH2-CB 3.56Å; W12-F165 AromaticContact CH2-CD1 3.96Å; W12-F165 HydrophobicContact CH2-CD1 3.96Å; W12-F165 HydrophobicContact CH2-CD2 4.21Å; W12-F165 AromaticContact CH2-CG 3.63Å; W12-F165 HydrophobicContact CH2-CG 3.63Å; W12-F165 HydrophobicContact CZ2-CB 4.4Å; W12-F165 HydrophobicContact CZ3-CB 3.83Å; W12-F165 AromaticContact CZ3-CD1 3.31Å; W12-F165 HydrophobicContact CZ3-CD1 3.31Å; W12-F165 HydrophobicContact CZ3-CD2 4.19Å; W12-F165 AromaticContact CZ3-CE1 3.88Å; W12-F165 HydrophobicContact CZ3-CE1 3.88Å; W12-F165 AromaticContact CZ3-CG 3.48Å; W12-F165 HydrophobicContact CZ3-CG 3.48Å; W12-F165 VanDerWaalsContact CZ3-CG 3.48Å; W12-P261 HydrophobicContact CE3-CG 4.24Å; W12-P261 HydrophobicContact CZ3-CB 4.3Å; W12-P261 HydrophobicContact CZ3-CG 3.82Å
13F98.7Very high96.9Very high77 Ų7750.3 Ų50.334%0.33825%0.253SS..Hα-helixtrans-88.43.3-175.9-66.2-64.6000113.6R9 R15 F162R9-F13 HydrophobicContact CB-CD2 4.23Å; R9-F13 HydrophobicContact CB-CE2 4.44Å; R9-F13 WeakPolarHBondContact O-CB 3.38Å; R9-F13 WeakPolarHBondContact O-CD2 3.43Å; R9-F13 PolarHBondContact O-N 3.23Å; F13-R15 WeakPolarHBondContact O-CG 3.28Å; F13-R15 PolarHBondContact O-N 2.82Å; F13-R15 PolarHBondContact O-NH1 2.91Å; F13-F162 HydrophobicContact CE2-CB 4.09Å; F13-F162 HydrophobicContact CE2-CG 4.38Å; F13-F162 HydrophobicContact CZ-CB 3.83Å
14G98.6Very high97.4Very high17 Ų1753.1 Ų53.118%0.17526%0.262CS..  trans-52130.4172.200000112.4D10 V11 W12 R41D10-G14 PolarHBondContact O-N 2.81Å; V11-G14 PolarHBondContact O-N 3.39Å; W12-G14 VanDerWaalsContact C-N 3.32Å; G14-R41 PolarHBondContact O-N 2.83Å
15R98.6Very high97.4Very high73 Ų7356.2 Ų56.228%0.27528%0.279SS..EExtended strand (participates in β ladder)trans-124.9149.5179.8-63-61.7172.1-96.55.5111.6W12 F13 L38 L39 D160W12-R15 PolarHBondContact O-NH1 3.44Å; F13-R15 WeakPolarHBondContact O-CG 3.28Å; F13-R15 PolarHBondContact O-N 2.82Å; F13-R15 PolarHBondContact O-NH1 2.91Å; R15-L38 HydrophobicContact CB-CB 4.18Å; R15-L38 HydrophobicContact CG-CB 4.26Å; R15-L39 CarbonylContact C-O 3.57Å; R15-L39 VanDerWaalsContact CA-O 3.24Å; R15-L39 WeakPolarHBondContact CA-O 3.34Å; R15-D160 IonicContact CZ-OD2 3.99Å; R15-D160 IonicContact NH2-OD1 3.39Å; R15-D160 PolarHBondContact NH2-OD1 2.84Å; R15-D160 IonicContact NH2-OD2 2.73Å; R15-D160 PolarHBondContact NH2-OD2 2.91Å
16I98.7Very high97.2Very high2 Ų251.8 Ų51.81%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-116.6122.9170.8-64.8154.7000107.8T18 L38 L39 R41 I83 F87 W98I16-T18 PolarHBondContact O-N 3.15Å; I16-T18 PolarHBondContact O-OG1 3.07Å; I16-L38 CarbonylContact O-C 3.6Å; I16-L38 WeakPolarHBondContact O-CA 3.36Å; I16-L39 PolarHBondContact N-O 3.3Å; I16-L39 PolarHBondContact O-N 2.96Å; I16-R41 HydrophobicContact CD1-CG 3.66Å; I16-R41 HydrophobicContact CG1-CG 3.82Å; I16-I83 HydrophobicContact CD1-CG2 3.91Å; I16-F87 HydrophobicContact CD1-CB 3.43Å; I16-F87 VanDerWaalsContact CD1-CB 3.43Å; I16-F87 HydrophobicContact CD1-CD1 3.97Å; I16-F87 HydrophobicContact CD1-CD2 4.48Å; I16-F87 HydrophobicContact CD1-CG 3.7Å; I16-F87 HydrophobicContact CG1-CB 4.37Å; I16-F87 HydrophobicContact CG1-CD1 4.12Å; I16-F87 HydrophobicContact CG1-CG 4.11Å; I16-F87 HydrophobicContact CG2-CD2 3.77Å; I16-F87 HydrophobicContact CG2-CE2 4.04Å; I16-F87 HydrophobicContact CG2-CG 4.05Å; I16-W98 HydrophobicContact CG2-CB 3.95Å; I16-W98 HydrophobicContact CG2-CE3 3.99Å
17P98.6Very high96.8Very high46 Ų4651.6 Ų51.630%0.29926%0.258SS..EExtended strand (participates in β ladder)trans-70.9123.1171.129.2-30.8000109.4L38 L96 P97 W98P17-L38 HydrophobicContact CB-CD2 3.95Å; P17-L96 HydrophobicContact CG-CB 4.26Å; P17-L96 HydrophobicContact CG-CD1 3.89Å; P17-L96 HydrophobicContact CG-CD2 4.04Å; P17-L96 HydrophobicContact CG-CG 4.29Å; P17-P97 HydrophobicContact CB-CB 4.29Å; P17-P97 CarbonylContact O-C 3.58Å; P17-P97 WeakPolarHBondContact O-CA 3.24Å; P17-P97 WeakPolarHBondContact O-CB 3.19Å; P17-W98 PolarHBondContact O-N 2.73Å
18T98.8Very high96.5Very high1 Ų151.9 Ų51.91%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-128134.8-173.3-55.80000110.4I16 F20 Y36 L37 L39 W98 I100I16-T18 PolarHBondContact O-N 3.15Å; I16-T18 PolarHBondContact O-OG1 3.07Å; T18-F20 HydrophobicContact CG2-CD2 3.94Å; T18-F20 HydrophobicContact CG2-CE1 4.28Å; T18-F20 HydrophobicContact CG2-CE2 3.54Å; T18-F20 HydrophobicContact CG2-CG 4.47Å; T18-F20 HydrophobicContact CG2-CZ 3.75Å; T18-Y36 WeakPolarHBondContact O-CA 3.36Å; T18-L37 PolarHBondContact N-O 3.35Å; T18-L37 PolarHBondContact O-N 3Å; T18-L39 HydrophobicContact CG2-CD1 3.9Å; T18-L39 HydrophobicContact CG2-CG 4.44Å; T18-L39 VanDerWaalsContact OG1-CD1 3.32Å; T18-L39 WeakPolarHBondContact OG1-CD1 3.28Å; T18-L39 WeakPolarHBondContact OG1-CG 3.28Å; T18-W98 CarbonylContact C-O 3.53Å; T18-W98 VanDerWaalsContact CA-O 3.28Å; T18-W98 WeakPolarHBondContact CA-O 3.38Å; T18-W98 HydrophobicContact CG2-CB 4.45Å; T18-W98 HydrophobicContact CG2-CE3 4.47Å; T18-W98 VanDerWaalsContact CG2-O 3.28Å; T18-W98 WeakPolarHBondContact CG2-O 3.32Å; T18-I100 HydrophobicContact CG2-CB 4.23Å; T18-I100 HydrophobicContact CG2-CD1 3.59Å; T18-I100 HydrophobicContact CG2-CG1 3.8Å
19C98.7Very high96.1Very high9 Ų957.3 Ų57.36%0.06129%0.285CS..EExtended strand (participates in β ladder)trans-104.7119.1169.3-178.40000108.2Y36 P97 W98 I100C19-Y36 HydrophobicContact CB-CD1 3.92Å; C19-Y36 HydrophobicContact CB-CE1 3.61Å; C19-Y36 VanDerWaalsContact SG-CE1 3.59Å; C19-P97 HydrophobicContact CB-CB 4.31Å; C19-P97 HydrophobicContact CB-CG 3.9Å; C19-W98 PolarHBondContact N-O 2.87Å; C19-I100 PolarHBondContact O-N 2.87Å
20F98.8Very high95.8Very high0 Ų060.4 Ų60.40%030%0.296CS..EExtended strand (participates in β ladder)trans-96.7127.7172.5-66.9-89.4000109.7T18 P34 F35 L37 L39 T49 V52 F56 F70 I100 V102T18-F20 HydrophobicContact CG2-CD2 3.94Å; T18-F20 HydrophobicContact CG2-CE1 4.28Å; T18-F20 HydrophobicContact CG2-CE2 3.54Å; T18-F20 HydrophobicContact CG2-CG 4.47Å; T18-F20 HydrophobicContact CG2-CZ 3.75Å; F20-P34 CarbonylContact O-C 3.59Å; F20-P34 VanDerWaalsContact O-CA 3.28Å; F20-P34 WeakPolarHBondContact O-CA 3.49Å; F20-F35 HydrophobicContact CB-CB 4.29Å; F20-F35 WeakPolarHBondContact CB-O 3.17Å; F20-F35 WeakPolarHBondContact CD2-O 3.44Å; F20-F35 PolarHBondContact N-O 3.2Å; F20-F35 PolarHBondContact O-N 2.81Å; F20-L37 HydrophobicContact CE2-CB 4.12Å; F20-L37 HydrophobicContact CE2-CD2 4.49Å; F20-L39 HydrophobicContact CE2-CD1 4.37Å; F20-L39 HydrophobicContact CE2-CD2 4.17Å; F20-L39 HydrophobicContact CE2-CG 4.4Å; F20-L39 HydrophobicContact CZ-CD1 3.89Å; F20-L39 HydrophobicContact CZ-CD2 4.02Å; F20-L39 HydrophobicContact CZ-CG 4.3Å; F20-T49 HydrophobicContact CE1-CG2 4.21Å; F20-T49 HydrophobicContact CZ-CG2 3.83Å; F20-V52 HydrophobicContact CB-CG1 3.9Å; F20-V52 HydrophobicContact CD1-CG1 3.87Å; F20-V52 HydrophobicContact CD2-CG1 4.2Å; F20-V52 HydrophobicContact CD2-CG2 3.8Å; F20-V52 HydrophobicContact CE1-CG1 4.4Å; F20-V52 HydrophobicContact CE2-CG2 3.81Å; F20-V52 HydrophobicContact CG-CG1 3.73Å; F20-V52 HydrophobicContact CG-CG2 4.19Å; F20-V52 HydrophobicContact CZ-CG2 4.19Å; F20-F56 HydrophobicContact CB-CE2 3.95Å; F20-F56 HydrophobicContact CB-CZ 4.23Å; F20-F70 HydrophobicContact CD1-CD1 4.15Å; F20-F70 AromaticContact CD1-CE1 3.97Å; F20-F70 HydrophobicContact CD1-CE1 3.97Å; F20-F70 AromaticContact CE1-CD1 3.88Å; F20-F70 HydrophobicContact CE1-CD1 3.88Å; F20-F70 AromaticContact CE1-CE1 3.62Å; F20-F70 HydrophobicContact CE1-CE1 3.62Å; F20-F70 HydrophobicContact CE1-CZ 4.44Å; F20-I100 CarbonylContact C-O 3.53Å; F20-I100 VanDerWaalsContact CA-O 3.27Å; F20-I100 WeakPolarHBondContact CA-O 3.18Å; F20-I100 HydrophobicContact CD1-CB 3.88Å; F20-I100 HydrophobicContact CD1-CG2 3.78Å; F20-I100 HydrophobicContact CE1-CB 4Å; F20-I100 HydrophobicContact CE1-CD1 3.93Å; F20-I100 HydrophobicContact CE1-CG2 3.81Å; F20-I100 HydrophobicContact CZ-CD1 4.23Å; F20-V102 HydrophobicContact CB-CG2 4Å; F20-V102 HydrophobicContact CD1-CG2 3.74Å; F20-V102 HydrophobicContact CG-CG2 4.34Å
21T98.3Very high95.5Very high57 Ų5763.4 Ų63.435%0.3531%0.307SS..EExtended strand (participates in β ladder)trans-122.3138.1175.6-53.40000109.1I100 T101 V102T21-I100 PolarHBondContact N-O 3.27Å; T21-T101 CarbonylContact O-C 3.53Å; T21-T101 VanDerWaalsContact O-CA 3.27Å; T21-T101 WeakPolarHBondContact O-CA 3.44Å; T21-V102 PolarHBondContact O-N 2.86Å
22L97.7Very high95.3Very high14 Ų1463.4 Ų63.47%0.07331%0.309CS..EExtended strand (participates in β ladder)trans-71.2140.2174.5-170.766.5000109.8E26 T28 A32 F56 V59 M60 F104L22-E26 HydrophobicContact CD1-CB 4.37Å; L22-E26 HydrophobicContact CD1-CG 4.19Å; L22-E26 HydrophobicContact CD2-CB 4.13Å; L22-E26 HydrophobicContact CG-CB 4.04Å; L22-E26 HydrophobicContact CG-CG 4.26Å; L22-T28 HydrophobicContact CD2-CG2 3.31Å; L22-A32 HydrophobicContact CB-CB 3.91Å; L22-A32 HydrophobicContact CD2-CB 3.74Å; L22-F56 HydrophobicContact CB-CD1 3.84Å; L22-F56 HydrophobicContact CB-CE1 3.85Å; L22-F56 HydrophobicContact CD1-CB 4.25Å; L22-F56 HydrophobicContact CD1-CD1 4.25Å; L22-F56 HydrophobicContact CD1-CG 4.22Å; L22-F56 HydrophobicContact CD2-CD1 4.45Å; L22-F56 HydrophobicContact CG-CD1 4.42Å; L22-V59 HydrophobicContact CD2-CG2 4.28Å; L22-M60 HydrophobicContact CD1-SD 4.46Å; L22-M60 HydrophobicContact CD2-SD 3.97Å; L22-F104 HydrophobicContact CD1-CD2 3.91Å; L22-F104 HydrophobicContact CD1-CE2 3.86Å
23Y96.9Very high95.2Very high89 Ų8970 Ų7035%0.34934%0.34SS..  trans-58.5139.4176.6-177.3-116.7000111.6D25 E26 T101 V102 H103Y23-D25 VanDerWaalsContact C-N 3.3Å; Y23-D25 HydrophobicContact CD1-CB 4.04Å; Y23-D25 HydrophobicContact CE1-CB 3.53Å; Y23-D25 VanDerWaalsContact CE1-OD2 3.29Å; Y23-D25 WeakPolarHBondContact CE1-OD2 3.24Å; Y23-D25 VanDerWaalsContact CZ-OD2 3.28Å; Y23-D25 PolarHBondContact O-N 2.78Å; Y23-D25 PolarHBondContact OH-OD2 3.16Å; Y23-E26 HydrophobicContact CD1-CG 4.37Å; Y23-E26 WeakPolarHBondContact O-CB 3.46Å; Y23-E26 PolarHBondContact O-N 2.9Å; Y23-E26 VanDerWaalsContact O-N 3.15Å; Y23-T101 HydrophobicContact CD2-CG2 3.94Å; Y23-T101 HydrophobicContact CG-CG2 4.33Å; Y23-V102 WeakPolarHBondContact CB-O 3.27Å; Y23-V102 PolarHBondContact N-O 3.38Å; Y23-H103 VanDerWaalsContact CB-CE1 3.48Å; Y23-H103 WeakPolarHBondContact CB-CE1 3.37Å; Y23-H103 WeakPolarHBondContact CB-ND1 3.37Å; Y23-H103 AromaticContact CD1-CE1 3.75Å; Y23-H103 AromaticContact CD1-ND1 3.69Å; Y23-H103 AromaticContact CD2-CE1 3.33Å; Y23-H103 WeakPolarHBondContact CD2-CE1 3.39Å; Y23-H103 AromaticContact CE2-CE1 3.96Å; Y23-H103 AromaticContact CG-CE1 3.22Å; Y23-H103 AromaticContact CG-ND1 3.47Å
24Q91.4Very high95.2Very high183 Ų18369.3 Ų69.386%0.85534%0.343SS*.THydrogen-bonded Turntrans-67.1-29.2-167.1-66179.6-0.900113.5E26Q24-E26 VanDerWaalsContact C-N 3.31Å
25D90.5Very high95.2Very high118 Ų11870.7 Ų70.763%0.63134%0.344SS*.THydrogen-bonded Turntrans-89.44.4179.6-51.2-39.7000113Y23Y23-D25 VanDerWaalsContact C-N 3.3Å; Y23-D25 HydrophobicContact CD1-CB 4.04Å; Y23-D25 HydrophobicContact CE1-CB 3.53Å; Y23-D25 VanDerWaalsContact CE1-OD2 3.29Å; Y23-D25 WeakPolarHBondContact CE1-OD2 3.24Å; Y23-D25 VanDerWaalsContact CZ-OD2 3.28Å; Y23-D25 PolarHBondContact O-N 2.78Å; Y23-D25 PolarHBondContact OH-OD2 3.16Å
26E89.9Confident95.2Very high14 Ų1474.4 Ų74.47%0.06536%0.359CS..SBendtrans-69.6132.7173.8-70.6-72.7-17200110.9L22 Y23 Q24 T28 M60 F104 K105L22-E26 HydrophobicContact CD1-CB 4.37Å; L22-E26 HydrophobicContact CD1-CG 4.19Å; L22-E26 HydrophobicContact CD2-CB 4.13Å; L22-E26 HydrophobicContact CG-CB 4.04Å; L22-E26 HydrophobicContact CG-CG 4.26Å; Y23-E26 HydrophobicContact CD1-CG 4.37Å; Y23-E26 WeakPolarHBondContact O-CB 3.46Å; Y23-E26 PolarHBondContact O-N 2.9Å; Y23-E26 VanDerWaalsContact O-N 3.15Å; Q24-E26 VanDerWaalsContact C-N 3.31Å; E26-T28 PolarHBondContact O-N 2.73Å; E26-T28 VanDerWaalsContact O-N 3.16Å; E26-M60 HydrophobicContact CB-CE 4.33Å; E26-M60 HydrophobicContact CB-SD 4.24Å; E26-F104 PolarHBondContact OE1-N 3.39Å; E26-K105 PolarHBondContact OE1-N 3.28Å; E26-K105 VanDerWaalsContact OE1-N 3.11Å
27I87.9Confident95.2Very high83 Ų8376.5 Ų76.543%0.42637%0.37SS..  trans-76.6108.9-178.5-58176.9000108.7
28T91.1Very high95.2Very high50 Ų5079.6 Ų79.631%0.30738%0.384SS..BIsolated β-bridgetrans-114.6150.8-179.755.10000112.5L22 E26 R30 V59 M60L22-T28 HydrophobicContact CD2-CG2 3.31Å; E26-T28 PolarHBondContact O-N 2.73Å; E26-T28 VanDerWaalsContact O-N 3.16Å; T28-R30 VanDerWaalsContact C-N 3.3Å; T28-R30 VanDerWaalsContact CB-O 3.29Å; T28-R30 WeakPolarHBondContact CB-O 3.32Å; T28-R30 PolarHBondContact OG1-O 3.03Å; T28-V59 CarbonylContact C-O 3.51Å; T28-V59 VanDerWaalsContact CA-O 3.31Å; T28-V59 WeakPolarHBondContact CA-O 3.47Å; T28-V59 HydrophobicContact CG2-CG2 4.01Å; T28-M60 HydrophobicContact CG2-SD 3.91Å
29E90.9Very high95.2Very high136 Ų13679.6 Ų79.664%0.63638%0.383SS*.SBendtrans-74.9-23.2172.6-61.7-173.3147.500112.3V59 K61E29-V59 PolarHBondContact N-O 3.25Å; E29-K61 HydrophobicContact CG-CG 3.84Å
30R91.8Very high95.2Very high153 Ų15380 Ų8058%0.57739%0.386SS*.SBendtrans-160.2163.8-18058.3-179.7167.8147.42.9110.1T28 A32 K58 V59T28-R30 VanDerWaalsContact C-N 3.3Å; T28-R30 VanDerWaalsContact CB-O 3.29Å; T28-R30 WeakPolarHBondContact CB-O 3.32Å; T28-R30 PolarHBondContact OG1-O 3.03Å; R30-A32 PolarHBondContact O-N 3.43Å; R30-K58 PolarHBondContact NH2-O 2.92Å; R30-V59 HydrophobicContact CG-CB 4.12Å; R30-V59 HydrophobicContact CG-CG1 3.7Å
31E91.8Very high95.2Very high182 Ų18281.6 Ų81.685%0.8539%0.392SS*.  trans-54.7133.8176.6-169.3175.7177.600112
32A94.8Very high95.2Very high21 Ų2179.1 Ų79.117%0.17438%0.377CS..  trans-94.9112.9-179.500000110.3L22 R30 F56 V59L22-A32 HydrophobicContact CB-CB 3.91Å; L22-A32 HydrophobicContact CD2-CB 3.74Å; R30-A32 PolarHBondContact O-N 3.43Å; A32-F56 HydrophobicContact CB-CD1 4.12Å; A32-F56 HydrophobicContact CB-CE1 4.21Å; A32-V59 HydrophobicContact CB-CG2 3.86Å
33E97.1Very high95.3Very high146 Ų14678.7 Ų78.768%0.68238%0.375SS*.  trans-67.8141.7174.4-66.2179.6163.800111.1H55E33-H55 PolarHBondContact O-NE2 2.96Å
34P98Very high95.4Very high61 Ų6174.6 Ų74.640%0.39636%0.359SS..  trans-59147.3173-23.132.9000112.7F20 Y36F20-P34 CarbonylContact O-C 3.59Å; F20-P34 VanDerWaalsContact O-CA 3.28Å; F20-P34 WeakPolarHBondContact O-CA 3.49Å; P34-Y36 HydrophobicContact CB-CE2 4.13Å
35F98.6Very high95.7Very high46 Ų4665.9 Ų65.920%0.20232%0.319CS..EExtended strand (participates in β ladder)trans-113.7121.2179.7-168.3-80.6000110.9F20 L37 K51 V52 H55 F56F20-F35 HydrophobicContact CB-CB 4.29Å; F20-F35 WeakPolarHBondContact CB-O 3.17Å; F20-F35 WeakPolarHBondContact CD2-O 3.44Å; F20-F35 PolarHBondContact N-O 3.2Å; F20-F35 PolarHBondContact O-N 2.81Å; F35-L37 HydrophobicContact CD1-CB 4.34Å; F35-L37 HydrophobicContact CE1-CB 4.13Å; F35-L37 HydrophobicContact CE1-CD1 4.48Å; F35-K51 HydrophobicContact CE1-CB 4.42Å; F35-K51 HydrophobicContact CZ-CB 3.89Å; F35-V52 HydrophobicContact CD1-CG2 3.78Å; F35-V52 HydrophobicContact CE1-CG2 4.01Å; F35-H55 HydrophobicContact CD2-CB 3.64Å; F35-H55 AromaticContact CD2-CD2 3.82Å; F35-H55 AromaticContact CD2-CG 3.49Å; F35-H55 VanDerWaalsContact CD2-CG 3.49Å; F35-H55 AromaticContact CD2-ND1 3.82Å; F35-H55 HydrophobicContact CE2-CB 4.02Å; F35-H55 HydrophobicContact CG-CB 4.45Å; F35-F56 HydrophobicContact CB-CE2 4.38Å; F35-F56 HydrophobicContact CB-CZ 4.22Å
36Y98.7Very high96Very high151 Ų15161.4 Ų61.459%0.59230%0.296SS*.EExtended strand (participates in β ladder)trans-98.6134.4180-64.9-92.8000111.6T18 C19 P34 P97T18-Y36 WeakPolarHBondContact O-CA 3.36Å; C19-Y36 HydrophobicContact CB-CD1 3.92Å; C19-Y36 HydrophobicContact CB-CE1 3.61Å; C19-Y36 VanDerWaalsContact SG-CE1 3.59Å; P34-Y36 HydrophobicContact CB-CE2 4.13Å; Y36-P97 HydrophobicContact CE1-CG 4.14Å
37L98.6Very high96.4Very high47 Ų4761.5 Ų61.525%0.24630%0.296CS..EExtended strand (participates in β ladder)trans-148144.7-179.9-17159.8000111.2T18 F20 F35 L39 V52T18-L37 PolarHBondContact N-O 3.35Å; T18-L37 PolarHBondContact O-N 3Å; F20-L37 HydrophobicContact CE2-CB 4.12Å; F20-L37 HydrophobicContact CE2-CD2 4.49Å; F35-L37 HydrophobicContact CD1-CB 4.34Å; F35-L37 HydrophobicContact CE1-CB 4.13Å; F35-L37 HydrophobicContact CE1-CD1 4.48Å; L37-L39 HydrophobicContact CD2-CD2 3.76Å; L37-L39 HydrophobicContact CG-CD2 4.17Å; L37-V52 HydrophobicContact CD2-CG2 4.09Å
38L98.8Very high96.9Very high111 Ų11159.4 Ų59.458%0.58129%0.287SS*.EExtended strand (participates in β ladder)trans-87.4103.4167.3-68.2179.4000108.9R15 I16 P17R15-L38 HydrophobicContact CB-CB 4.18Å; R15-L38 HydrophobicContact CG-CB 4.26Å; I16-L38 CarbonylContact O-C 3.6Å; I16-L38 WeakPolarHBondContact O-CA 3.36Å; P17-L38 HydrophobicContact CB-CD2 3.95Å
39L98.8Very high97.3Very high0 Ų057.1 Ų57.10%027%0.273CS..EExtended strand (participates in β ladder)trans-80.4132.6-179.6-67-176.5000111.7R15 I16 T18 F20 L37 R41 L45 V48 T49 I83 W98 I100R15-L39 CarbonylContact C-O 3.57Å; R15-L39 VanDerWaalsContact CA-O 3.24Å; R15-L39 WeakPolarHBondContact CA-O 3.34Å; I16-L39 PolarHBondContact N-O 3.3Å; I16-L39 PolarHBondContact O-N 2.96Å; T18-L39 HydrophobicContact CG2-CD1 3.9Å; T18-L39 HydrophobicContact CG2-CG 4.44Å; T18-L39 VanDerWaalsContact OG1-CD1 3.32Å; T18-L39 WeakPolarHBondContact OG1-CD1 3.28Å; T18-L39 WeakPolarHBondContact OG1-CG 3.28Å; F20-L39 HydrophobicContact CE2-CD1 4.37Å; F20-L39 HydrophobicContact CE2-CD2 4.17Å; F20-L39 HydrophobicContact CE2-CG 4.4Å; F20-L39 HydrophobicContact CZ-CD1 3.89Å; F20-L39 HydrophobicContact CZ-CD2 4.02Å; F20-L39 HydrophobicContact CZ-CG 4.3Å; L37-L39 HydrophobicContact CD2-CD2 3.76Å; L37-L39 HydrophobicContact CG-CD2 4.17Å; L39-R41 PolarHBondContact O-N 3.47Å; L39-L45 HydrophobicContact CD1-CD2 3.81Å; L39-V48 HydrophobicContact CD2-CG2 3.84Å; L39-T49 HydrophobicContact CD2-CG2 4.38Å; L39-I83 HydrophobicContact CB-CD1 4.31Å; L39-I83 HydrophobicContact CB-CG2 3.76Å; L39-I83 HydrophobicContact CD1-CG2 3.95Å; L39-W98 HydrophobicContact CD1-CE3 4.36Å; L39-W98 HydrophobicContact CD1-CZ3 4.22Å; L39-I100 HydrophobicContact CD1-CD1 4.3Å
40P98.8Very high97.6Very high19 Ų1954.7 Ų54.712%0.12326%0.264CS..EExtended strand (participates in β ladder)trans-69.9122172.727.5-32.7000111.6V42 S43 V48 I83P40-V42 PolarHBondContact O-N 3.14Å; P40-S43 PolarHBondContact O-N 3.34Å; P40-V48 HydrophobicContact CG-CB 4.38Å; P40-V48 HydrophobicContact CG-CG1 3.8Å; P40-V48 HydrophobicContact CG-CG2 4.4Å; P40-I83 WeakPolarHBondContact O-CD1 3.19Å
41R98.8Very high97.8Very high32 Ų3254.3 Ų54.312%0.12127%0.267CS..THydrogen-bonded Turntrans-54.3-39.1179.8-78.8-178.6165-87.72.2112.6G14 I16 L39 S43 I83 G84 D88G14-R41 PolarHBondContact O-N 2.83Å; I16-R41 HydrophobicContact CD1-CG 3.66Å; I16-R41 HydrophobicContact CG1-CG 3.82Å; L39-R41 PolarHBondContact O-N 3.47Å; R41-S43 VanDerWaalsContact C-N 3.31Å; R41-S43 PolarHBondContact O-N 3.05Å; R41-I83 PolarHBondContact O-N 2.9Å; R41-G84 WeakPolarHBondContact O-CA 3.33Å; R41-G84 PolarHBondContact O-N 3.15Å; R41-D88 IonicContact CZ-OD1 3.55Å; R41-D88 VanDerWaalsContact NH1-CG 3.34Å; R41-D88 IonicContact NH1-OD1 3.9Å; R41-D88 PolarHBondContact NH1-OD1 2.99Å; R41-D88 IonicContact NH1-OD2 3.34Å; R41-D88 PolarHBondContact NH1-OD2 2.83Å; R41-D88 IonicContact NH2-OD1 3.4Å; R41-D88 PolarHBondContact NH2-OD1 3.4Å
42V98.8Very high98.1Very high6 Ų645.7 Ų45.74%0.03623%0.227CC..THydrogen-bonded Turntrans-81.5-1.7-172.7-64.50000115.2V11 W12 P40 P261V11-V42 HydrophobicContact CG1-CG1 4.24Å; V11-V42 VanDerWaalsContact O-CG1 3.31Å; V11-V42 WeakPolarHBondContact O-CG1 3.37Å; W12-V42 WeakPolarHBondContact O-CG2 3.38Å; P40-V42 PolarHBondContact O-N 3.14Å; V42-P261 HydrophobicContact CB-CG 3.74Å; V42-P261 HydrophobicContact CG1-CG 4.4Å; V42-P261 HydrophobicContact CG2-CG 4.27Å
43S98.7Very high98.3Very high4 Ų448.6 Ų48.63%0.02824%0.235CC..SBendtrans-108.8-172.8-176.1-152.70000112.4P40 R41 V48 P82 I83P40-S43 PolarHBondContact O-N 3.34Å; R41-S43 VanDerWaalsContact C-N 3.31Å; R41-S43 PolarHBondContact O-N 3.05Å; S43-V48 WeakPolarHBondContact OG-CG1 3.42Å; S43-P82 WeakPolarHBondContact O-CA 3.3Å; S43-I83 VanDerWaalsContact O-CG1 3.31Å; S43-I83 WeakPolarHBondContact O-CG1 3.06Å; S43-I83 PolarHBondContact O-N 2.84Å
44Y98.8Very high98.3Very high4 Ų448.3 Ų48.32%0.01623%0.232CC..  trans-112.8143.9-179.5-56.7-74.8000110.6T46 L47 V48 W79 H80 P82 I121 F125 L157Y44-T46 PolarHBondContact O-N 3.35Å; Y44-L47 HydrophobicContact CD2-CD2 4.47Å; Y44-L47 WeakPolarHBondContact O-CB 3.48Å; Y44-L47 PolarHBondContact O-N 2.93Å; Y44-L47 VanDerWaalsContact O-N 3.08Å; Y44-V48 PolarHBondContact O-N 2.66Å; Y44-W79 WeakPolarHBondContact CB-O 3.41Å; Y44-W79 WeakPolarHBondContact CD1-O 3.42Å; Y44-H80 WeakPolarHBondContact CE1-O 3.25Å; Y44-P82 HydrophobicContact CE1-CG 4.36Å; Y44-I121 HydrophobicContact CD2-CG2 3.61Å; Y44-I121 HydrophobicContact CE2-CG2 4.24Å; Y44-I121 HydrophobicContact CG-CG2 4.16Å; Y44-F125 HydrophobicContact CE2-CB 4.33Å; Y44-F125 HydrophobicContact CE2-CD2 4.28Å; Y44-L157 HydrophobicContact CD2-CD2 4.4Å; Y44-L157 HydrophobicContact CE2-CD2 3.97Å
45L98.5Very high98.3Very high0 Ų047.3 Ų47.30%022%0.222CC..Hα-helixtrans-52.6-55.1-176.5-76.3170.7000111.5L39 L47 V48 T49 F70 L77 I83 L86 I100L39-L45 HydrophobicContact CD1-CD2 3.81Å; L45-L47 PolarHBondContact O-N 2.72Å; L45-V48 PolarHBondContact O-N 3.4Å; L45-V48 VanDerWaalsContact O-N 3.1Å; L45-T49 WeakPolarHBondContact O-CB 3.36Å; L45-T49 VanDerWaalsContact O-CG2 3.25Å; L45-T49 WeakPolarHBondContact O-CG2 3.27Å; L45-T49 PolarHBondContact O-N 3.19Å; L45-T49 PolarHBondContact O-OG1 3.19Å; L45-F70 HydrophobicContact CB-CD2 4.01Å; L45-F70 HydrophobicContact CB-CE2 3.9Å; L45-F70 HydrophobicContact CD1-CB 4.34Å; L45-F70 HydrophobicContact CD1-CD2 3.93Å; L45-F70 HydrophobicContact CD1-CG 4.32Å; L45-F70 HydrophobicContact CG-CD2 4.47Å; L45-L77 HydrophobicContact CD1-CB 3.83Å; L45-L77 HydrophobicContact CD1-CD1 4.01Å; L45-I83 HydrophobicContact CD2-CD1 4.38Å; L45-I83 HydrophobicContact CD2-CG1 3.99Å; L45-I83 HydrophobicContact CG-CG1 3.99Å; L45-L86 HydrophobicContact CD1-CD1 3.74Å; L45-L86 HydrophobicContact CG-CD1 4.27Å; L45-I100 HydrophobicContact CD2-CD1 4.18Å
46T97.9Very high98.2Very high24 Ų2445.2 Ų45.215%0.14721%0.213CC..Hα-helixtrans-63.6-15.4-177.149.20000114.3Y44 W79 C115 I121Y44-T46 PolarHBondContact O-N 3.35Å; T46-W79 HydrophobicContact CG2-CB 3.64Å; T46-W79 HydrophobicContact CG2-CG 4.14Å; T46-C115 HydrophobicContact CG2-CB 4.09Å; T46-C115 PolarHBondContact OG1-SG 3.47Å; T46-C115 VanDerWaalsContact OG1-SG 3.39Å; T46-I121 VanDerWaalsContact OG1-CD1 3.32Å; T46-I121 WeakPolarHBondContact OG1-CD1 3.46Å
47L98.3Very high98.1Very high16 Ų1641 Ų418%0.08420%0.2CC..Hα-helixtrans-84.8-28.3177.4-173.354.5000112.9Y44 L45 I121 W154 L157 Q158Y44-L47 HydrophobicContact CD2-CD2 4.47Å; Y44-L47 WeakPolarHBondContact O-CB 3.48Å; Y44-L47 PolarHBondContact O-N 2.93Å; Y44-L47 VanDerWaalsContact O-N 3.08Å; L45-L47 PolarHBondContact O-N 2.72Å; L47-I121 HydrophobicContact CB-CD1 3.97Å; L47-I121 HydrophobicContact CB-CG2 4.49Å; L47-I121 HydrophobicContact CD1-CD1 4.34Å; L47-I121 HydrophobicContact CD2-CG2 4.36Å; L47-W154 HydrophobicContact CD1-CH2 3.71Å; L47-W154 HydrophobicContact CD1-CZ2 4.09Å; L47-W154 HydrophobicContact CD2-CH2 3.74Å; L47-W154 HydrophobicContact CD2-CZ3 3.98Å; L47-W154 HydrophobicContact CG-CH2 4.4Å; L47-L157 HydrophobicContact CD2-CG 4.42Å; L47-Q158 HydrophobicContact CD1-CG 4.11Å
48V98.3Very high98Very high39 Ų3945.1 Ų45.124%0.23622%0.216CC..Hα-helixtrans-116-2.9-168-57.10000113.9L39 P40 S43 Y44 L45 I83L39-V48 HydrophobicContact CD2-CG2 3.84Å; P40-V48 HydrophobicContact CG-CB 4.38Å; P40-V48 HydrophobicContact CG-CG1 3.8Å; P40-V48 HydrophobicContact CG-CG2 4.4Å; S43-V48 WeakPolarHBondContact OG-CG1 3.42Å; Y44-V48 PolarHBondContact O-N 2.66Å; L45-V48 PolarHBondContact O-N 3.4Å; L45-V48 VanDerWaalsContact O-N 3.1Å; V48-I83 HydrophobicContact CG2-CD1 3.6Å
49T98.1Very high97.8Very high1 Ų140.3 Ų40.31%0.00619%0.191CC..  trans-100.619.4-175.155.30000114.4F20 L39 L45 K51 V52 K53 F70F20-T49 HydrophobicContact CE1-CG2 4.21Å; F20-T49 HydrophobicContact CZ-CG2 3.83Å; L39-T49 HydrophobicContact CD2-CG2 4.38Å; L45-T49 WeakPolarHBondContact O-CB 3.36Å; L45-T49 VanDerWaalsContact O-CG2 3.25Å; L45-T49 WeakPolarHBondContact O-CG2 3.27Å; L45-T49 PolarHBondContact O-N 3.19Å; L45-T49 PolarHBondContact O-OG1 3.19Å; T49-K51 PolarHBondContact O-N 3.34Å; T49-V52 HydrophobicContact CG2-CG2 4.17Å; T49-V52 WeakPolarHBondContact O-CB 3.27Å; T49-V52 PolarHBondContact O-N 3.05Å; T49-K53 PolarHBondContact O-N 2.95Å; T49-F70 HydrophobicContact CG2-CE1 4.38Å; T49-F70 HydrophobicContact CG2-CE2 4.47Å; T49-F70 HydrophobicContact CG2-CZ 3.79Å; T49-F70 WeakPolarHBondContact OG1-CZ 2.98Å
50D96.9Very high97.5Very high85 Ų8540.9 Ų40.946%0.45519%0.194SC..Hα-helixtrans-54.8-38.2176.9-86.1-12.4000113.1K54D50-K54 WeakPolarHBondContact O-CB 3.48Å; D50-K54 VanDerWaalsContact O-CG 3.28Å; D50-K54 WeakPolarHBondContact O-CG 3.3Å; D50-K54 PolarHBondContact O-N 3.01Å
51K97.9Very high97.1Very high146 Ų14643.6 Ų43.664%0.63520%0.204SC*.Hα-helixtrans-70-36.5177.5-68.5-176.6-179.51770112.1F35 T49 K54 H55F35-K51 HydrophobicContact CE1-CB 4.42Å; F35-K51 HydrophobicContact CZ-CB 3.89Å; T49-K51 PolarHBondContact O-N 3.34Å; K51-K54 PolarHBondContact O-N 3.37Å; K51-H55 WeakPolarHBondContact O-CB 3.48Å; K51-H55 PolarHBondContact O-N 3Å
52V98.2Very high96.6Very high0 Ų046.8 Ų46.80%024%0.237CC..Hα-helixtrans-64.5-48.9175.7-176.30000109.5F20 F35 L37 T49 K54 H55 F56 V102F20-V52 HydrophobicContact CB-CG1 3.9Å; F20-V52 HydrophobicContact CD1-CG1 3.87Å; F20-V52 HydrophobicContact CD2-CG1 4.2Å; F20-V52 HydrophobicContact CD2-CG2 3.8Å; F20-V52 HydrophobicContact CE1-CG1 4.4Å; F20-V52 HydrophobicContact CE2-CG2 3.81Å; F20-V52 HydrophobicContact CG-CG1 3.73Å; F20-V52 HydrophobicContact CG-CG2 4.19Å; F20-V52 HydrophobicContact CZ-CG2 4.19Å; F35-V52 HydrophobicContact CD1-CG2 3.78Å; F35-V52 HydrophobicContact CE1-CG2 4.01Å; L37-V52 HydrophobicContact CD2-CG2 4.09Å; T49-V52 HydrophobicContact CG2-CG2 4.17Å; T49-V52 WeakPolarHBondContact O-CB 3.27Å; T49-V52 PolarHBondContact O-N 3.05Å; V52-K54 PolarHBondContact O-N 2.87Å; V52-H55 WeakPolarHBondContact O-CB 3.49Å; V52-H55 PolarHBondContact O-N 3.46Å; V52-H55 VanDerWaalsContact O-N 3.1Å; V52-F56 HydrophobicContact CG1-CD2 3.79Å; V52-F56 HydrophobicContact CG1-CE2 3.56Å; V52-F56 WeakPolarHBondContact O-CD2 3.37Å; V52-F56 PolarHBondContact O-N 3.11Å; V52-F56 VanDerWaalsContact O-N 3.13Å; V52-V102 HydrophobicContact CG1-CG2 4.12Å
53K97.1Very high96.2Very high82 Ų8254.1 Ų54.136%0.35727%0.271SS..Hα-helixtrans-55.2-52.6174.9-171.8171.8-177.8171.50111.3T49 H55 F56 L57 M68 F104T49-K53 PolarHBondContact O-N 2.95Å; K53-H55 PolarHBondContact O-N 3.43Å; K53-F56 PolarHBondContact O-N 2.75Å; K53-L57 HydrophobicContact CD-CD1 4.5Å; K53-L57 HydrophobicContact CG-CD1 3.78Å; K53-L57 HydrophobicContact CG-CG 4.24Å; K53-L57 WeakPolarHBondContact O-CB 3.49Å; K53-L57 WeakPolarHBondContact O-CG 3.33Å; K53-L57 PolarHBondContact O-N 3.13Å; K53-M68 HydrophobicContact CB-CE 3.78Å; K53-M68 HydrophobicContact CB-SD 3.63Å; K53-M68 HydrophobicContact CD-CE 4.26Å; K53-M68 HydrophobicContact CD-SD 4.46Å; K53-M68 HydrophobicContact CG-CE 4.22Å; K53-M68 HydrophobicContact CG-SD 3.9Å; K53-F104 HydrophobicContact CG-CE1 4.48Å
54K97.6Very high95.6Very high140 Ų14054.8 Ų54.861%0.60927%0.274SS*.Hα-helixtrans-61.8-27.9178.4-74.8174.4-176.2174.40113.7D50 K51 V52 K58D50-K54 WeakPolarHBondContact O-CB 3.48Å; D50-K54 VanDerWaalsContact O-CG 3.28Å; D50-K54 WeakPolarHBondContact O-CG 3.3Å; D50-K54 PolarHBondContact O-N 3.01Å; K51-K54 PolarHBondContact O-N 3.37Å; V52-K54 PolarHBondContact O-N 2.87Å; K54-K58 WeakPolarHBondContact O-CG 3.45Å
55H97.9Very high95.3Very high41 Ų4156.9 Ų56.919%0.1929%0.287CS..Hα-helixtrans-70.6-55177.6176.876.4000110.8E33 F35 K51 V52 K53 L57 K58E33-H55 PolarHBondContact O-NE2 2.96Å; F35-H55 HydrophobicContact CD2-CB 3.64Å; F35-H55 AromaticContact CD2-CD2 3.82Å; F35-H55 AromaticContact CD2-CG 3.49Å; F35-H55 VanDerWaalsContact CD2-CG 3.49Å; F35-H55 AromaticContact CD2-ND1 3.82Å; F35-H55 HydrophobicContact CE2-CB 4.02Å; F35-H55 HydrophobicContact CG-CB 4.45Å; K51-H55 WeakPolarHBondContact O-CB 3.48Å; K51-H55 PolarHBondContact O-N 3Å; V52-H55 WeakPolarHBondContact O-CB 3.49Å; V52-H55 PolarHBondContact O-N 3.46Å; V52-H55 VanDerWaalsContact O-N 3.1Å; K53-H55 PolarHBondContact O-N 3.43Å; H55-L57 PolarHBondContact O-N 3.49Å; H55-K58 WeakPolarHBondContact O-CB 3.29Å; H55-K58 PolarHBondContact O-N 2.96Å
56F97.6Very high95.1Very high1 Ų162.2 Ų62.20%0.00431%0.312CS..Hα-helixtrans-71.5-30.6-177.5-65.5-60000113.5F20 L22 A32 F35 V52 K53 K58 V59 M60 V102 F104F20-F56 HydrophobicContact CB-CE2 3.95Å; F20-F56 HydrophobicContact CB-CZ 4.23Å; L22-F56 HydrophobicContact CB-CD1 3.84Å; L22-F56 HydrophobicContact CB-CE1 3.85Å; L22-F56 HydrophobicContact CD1-CB 4.25Å; L22-F56 HydrophobicContact CD1-CD1 4.25Å; L22-F56 HydrophobicContact CD1-CG 4.22Å; L22-F56 HydrophobicContact CD2-CD1 4.45Å; L22-F56 HydrophobicContact CG-CD1 4.42Å; A32-F56 HydrophobicContact CB-CD1 4.12Å; A32-F56 HydrophobicContact CB-CE1 4.21Å; F35-F56 HydrophobicContact CB-CE2 4.38Å; F35-F56 HydrophobicContact CB-CZ 4.22Å; V52-F56 HydrophobicContact CG1-CD2 3.79Å; V52-F56 HydrophobicContact CG1-CE2 3.56Å; V52-F56 WeakPolarHBondContact O-CD2 3.37Å; V52-F56 PolarHBondContact O-N 3.11Å; V52-F56 VanDerWaalsContact O-N 3.13Å; K53-F56 PolarHBondContact O-N 2.75Å; F56-K58 PolarHBondContact O-N 3.08Å; F56-V59 WeakPolarHBondContact O-CG2 3.49Å; F56-V59 PolarHBondContact O-N 3.35Å; F56-V59 VanDerWaalsContact O-N 3.08Å; F56-M60 VanDerWaalsContact O-CG 3.32Å; F56-M60 WeakPolarHBondContact O-CG 3.46Å; F56-M60 PolarHBondContact O-N 3.2Å; F56-V102 HydrophobicContact CD2-CB 4.19Å; F56-V102 HydrophobicContact CD2-CG1 4.09Å; F56-V102 HydrophobicContact CD2-CG2 4.07Å; F56-V102 HydrophobicContact CE2-CB 4.17Å; F56-V102 HydrophobicContact CE2-CG2 3.69Å; F56-F104 HydrophobicContact CB-CE2 3.71Å; F56-F104 HydrophobicContact CB-CZ 4.02Å
57L95.9Very high94.9Very high62 Ų6263.4 Ų63.433%0.32532%0.316SS..THydrogen-bonded Turntrans-60.9-16.5173.4-72178.2000114.1K53 H55 V59 V65 F104K53-L57 HydrophobicContact CD-CD1 4.5Å; K53-L57 HydrophobicContact CG-CD1 3.78Å; K53-L57 HydrophobicContact CG-CG 4.24Å; K53-L57 WeakPolarHBondContact O-CB 3.49Å; K53-L57 WeakPolarHBondContact O-CG 3.33Å; K53-L57 PolarHBondContact O-N 3.13Å; H55-L57 PolarHBondContact O-N 3.49Å; L57-V59 VanDerWaalsContact C-N 3.26Å; L57-V59 PolarHBondContact O-N 3.35Å; L57-V65 HydrophobicContact CD2-CB 4.19Å; L57-V65 HydrophobicContact CD2-CG1 3.42Å; L57-V65 VanDerWaalsContact CD2-CG1 3.42Å; L57-V65 HydrophobicContact CD2-CG2 3.57Å; L57-F104 HydrophobicContact CD2-CD1 4.34Å; L57-F104 HydrophobicContact CD2-CE1 3.77Å; L57-F104 HydrophobicContact CD2-CZ 4.14Å; L57-F104 HydrophobicContact CG-CE1 4.25Å; L57-F104 HydrophobicContact CG-CZ 4.33Å
58K95.6Very high94.9Very high134 Ų13463.4 Ų63.458%0.58332%0.316SS*.THydrogen-bonded Turntrans-76.4-10.5176.5-66.6169.1-175.6176.20114.3R30 K54 H55 F56R30-K58 PolarHBondContact NH2-O 2.92Å; K54-K58 WeakPolarHBondContact O-CG 3.45Å; H55-K58 WeakPolarHBondContact O-CB 3.29Å; H55-K58 PolarHBondContact O-N 2.96Å; F56-K58 PolarHBondContact O-N 3.08Å
59V94.8Very high94.9Very high11 Ų1162.8 Ų62.87%0.06731%0.309CS..THydrogen-bonded Turntrans-118.8-8.6-179.7-57.50000112.2L22 T28 E29 R30 A32 F56 L57L22-V59 HydrophobicContact CD2-CG2 4.28Å; T28-V59 CarbonylContact C-O 3.51Å; T28-V59 VanDerWaalsContact CA-O 3.31Å; T28-V59 WeakPolarHBondContact CA-O 3.47Å; T28-V59 HydrophobicContact CG2-CG2 4.01Å; E29-V59 PolarHBondContact N-O 3.25Å; R30-V59 HydrophobicContact CG-CB 4.12Å; R30-V59 HydrophobicContact CG-CG1 3.7Å; A32-V59 HydrophobicContact CB-CG2 3.86Å; F56-V59 WeakPolarHBondContact O-CG2 3.49Å; F56-V59 PolarHBondContact O-N 3.35Å; F56-V59 VanDerWaalsContact O-N 3.08Å; L57-V59 VanDerWaalsContact C-N 3.26Å; L57-V59 PolarHBondContact O-N 3.35Å
60M93.3Very high94.9Very high11 Ų1162.9 Ų62.95%0.05431%0.31CS..BIsolated β-bridgetrans-90.3145.7178.9-63.5-67.8-6900110.8L22 E26 T28 F56 D64 V65 F104L22-M60 HydrophobicContact CD1-SD 4.46Å; L22-M60 HydrophobicContact CD2-SD 3.97Å; E26-M60 HydrophobicContact CB-CE 4.33Å; E26-M60 HydrophobicContact CB-SD 4.24Å; T28-M60 HydrophobicContact CG2-SD 3.91Å; F56-M60 VanDerWaalsContact O-CG 3.32Å; F56-M60 WeakPolarHBondContact O-CG 3.46Å; F56-M60 PolarHBondContact O-N 3.2Å; M60-D64 HydrophobicContact CE-CB 4.44Å; M60-V65 HydrophobicContact CB-CG2 3.69Å; M60-V65 HydrophobicContact CG-CG2 4.47Å; M60-F104 HydrophobicContact CE-CB 3.93Å; M60-F104 HydrophobicContact CE-CD2 4.02Å; M60-F104 HydrophobicContact CE-CG 4.21Å; M60-F104 HydrophobicContact CG-CD2 4.27Å; M60-F104 HydrophobicContact CG-CE2 4.39Å; M60-F104 HydrophobicContact SD-CD2 4.34Å
61K90Very high94.9Very high77 Ų7759.4 Ų59.434%0.33529%0.291SS..  trans-77142.3168.6-63.6178.1-178.2174.30110.2E29 E63 D64 V65E29-K61 HydrophobicContact CG-CG 3.84Å; K61-E63 HydrophobicContact CB-CG 4.19Å; K61-E63 PolarHBondContact O-N 3.06Å; K61-E63 VanDerWaalsContact O-N 3.14Å; K61-D64 HydrophobicContact CB-CB 4.39Å; K61-D64 PolarHBondContact O-N 2.82Å; K61-V65 WeakPolarHBondContact O-CG2 3.38Å
62A87.9Confident94.8Very high98 Ų9852.8 Ų52.881%0.8126%0.262SS*.G310 helixtrans-59.3-29.4-176.300000114.4D64A62-D64 VanDerWaalsContact C-N 3.29Å
63E89.9Confident94.6Very high160 Ų16060.2 Ų60.275%0.74830%0.297SS*.G310 helixtrans-74.9-17.9177.362.2-168.3179.200113.8K61K61-E63 HydrophobicContact CB-CG 4.19Å; K61-E63 PolarHBondContact O-N 3.06Å; K61-E63 VanDerWaalsContact O-N 3.14Å
64D87.8Confident94.4Very high18 Ų1859.3 Ų59.310%0.09631%0.311CS..G310 helixtrans-101.56.2-176.3-68.9-42.7000112.6M60 K61 A62 K105M60-D64 HydrophobicContact CE-CB 4.44Å; K61-D64 HydrophobicContact CB-CB 4.39Å; K61-D64 PolarHBondContact O-N 2.82Å; A62-D64 VanDerWaalsContact C-N 3.29Å; D64-K105 WeakPolarHBondContact O-CE 3.41Å; D64-K105 WeakPolarHBondContact OD1-CE 3.49Å; D64-K105 IonicContact OD1-NZ 2.67Å; D64-K105 PolarHBondContact OD1-NZ 3.23Å
65V91.4Very high94.2Very high48 Ų4855.4 Ų55.429%0.29130%0.299SS..  trans-102.4109.5-176.2174.10000110.6L57 M60 K61 F104L57-V65 HydrophobicContact CD2-CB 4.19Å; L57-V65 HydrophobicContact CD2-CG1 3.42Å; L57-V65 VanDerWaalsContact CD2-CG1 3.42Å; L57-V65 HydrophobicContact CD2-CG2 3.57Å; M60-V65 HydrophobicContact CB-CG2 3.69Å; M60-V65 HydrophobicContact CG-CG2 4.47Å; K61-V65 WeakPolarHBondContact O-CG2 3.38Å; V65-F104 HydrophobicContact CG1-CD1 4.17Å
66E93.8Very high94.2Very high112 Ų11254.6 Ų54.652%0.52330%0.297SS..  trans-106.4-152.7166.9-40.1177.315600110.6M68 F104E66-M68 PolarHBondContact O-N 3.48Å; E66-F104 WeakPolarHBondContact CA-O 3.47Å; E66-F104 WeakPolarHBondContact CB-O 3.4Å; E66-F104 WeakPolarHBondContact CG-O 3.43Å; E66-F104 PolarHBondContact N-O 2.87Å
67E95Very high94.2Very high50 Ų5054.7 Ų54.723%0.23430%0.298CS..  trans-70.2127.8176.1-175.1170.4176.400111.3W69 F107 H114 C115E67-W69 PolarHBondContact O-N 3.37Å; E67-F107 HydrophobicContact CB-CD2 4.2Å; E67-F107 HydrophobicContact CB-CE2 4.49Å; E67-F107 HydrophobicContact CG-CD2 4.27Å; E67-F107 HydrophobicContact CG-CE2 4.07Å; E67-H114 IonicContact OE2-CE1 2.95Å; E67-H114 IonicContact OE2-CG 3.53Å; E67-H114 IonicContact OE2-ND1 3.24Å; E67-H114 PolarHBondContact OE2-ND1 3.2Å; E67-C115 PolarHBondContact OE1-N 3.23Å
68M97Very high94.3Very high16 Ų1655.2 Ų55.28%0.07930%0.297CS..  trans-72128.2178.2-173.2-17665.400110.6K53 E66 F70 V102 H103 F104K53-M68 HydrophobicContact CB-CE 3.78Å; K53-M68 HydrophobicContact CB-SD 3.63Å; K53-M68 HydrophobicContact CD-CE 4.26Å; K53-M68 HydrophobicContact CD-SD 4.46Å; K53-M68 HydrophobicContact CG-CE 4.22Å; K53-M68 HydrophobicContact CG-SD 3.9Å; E66-M68 PolarHBondContact O-N 3.48Å; M68-F70 HydrophobicContact CE-CE1 4.17Å; M68-F70 HydrophobicContact CE-CE2 4.06Å; M68-F70 HydrophobicContact CE-CZ 3.42Å; M68-F70 VanDerWaalsContact CE-CZ 3.42Å; M68-F70 HydrophobicContact SD-CE1 4.35Å; M68-F70 HydrophobicContact SD-CZ 4.16Å; M68-V102 HydrophobicContact CG-CG1 3.73Å; M68-V102 HydrophobicContact SD-CG1 3.93Å; M68-H103 VanDerWaalsContact CA-O 3.3Å; M68-H103 WeakPolarHBondContact CA-O 3.28Å; M68-F104 HydrophobicContact CB-CD1 3.98Å; M68-F104 HydrophobicContact CB-CE1 3.67Å; M68-F104 HydrophobicContact CB-CZ 4.33Å; M68-F104 HydrophobicContact CG-CD1 4.33Å; M68-F104 HydrophobicContact CG-CE1 3.8Å; M68-F104 HydrophobicContact CG-CZ 3.95Å; M68-F104 HydrophobicContact SD-CE1 4.2Å; M68-F104 HydrophobicContact SD-CZ 4.01Å
69W98.3Very high94.4Very high25 Ų2549.5 Ų49.510%0.09527%0.272CS..EExtended strand (participates in β ladder)trans-134.1168.217465.9-83000111.4E67 D71 P76 H103 K105 F107 P108 L112E67-W69 PolarHBondContact O-N 3.37Å; W69-D71 HydrophobicContact CH2-CB 4.48Å; W69-D71 HydrophobicContact CZ3-CB 3.79Å; W69-P76 HydrophobicContact CE3-CB 4.47Å; W69-P76 HydrophobicContact CZ3-CB 4.29Å; W69-P76 HydrophobicContact CZ3-CG 4.31Å; W69-H103 HydrophobicContact CD2-CB 3.69Å; W69-H103 AromaticContact CE2-CG 3.52Å; W69-H103 HydrophobicContact CE3-CB 4.41Å; W69-H103 AromaticContact CE3-CD2 4Å; W69-H103 HydrophobicContact CG-CB 4Å; W69-H103 HydrophobicContact CH2-CB 4.24Å; W69-H103 AromaticContact CH2-CD2 3.55Å; W69-H103 AromaticContact CH2-CE1 3.76Å; W69-H103 AromaticContact CH2-CG 3.62Å; W69-H103 AromaticContact CH2-ND1 3.77Å; W69-H103 AromaticContact CH2-NE2 3.64Å; W69-H103 HydrophobicContact CZ2-CB 3.5Å; W69-H103 AromaticContact CZ2-CD2 3.72Å; W69-H103 AromaticContact CZ2-CE1 3.92Å; W69-H103 AromaticContact CZ2-CG 3.29Å; W69-H103 AromaticContact CZ2-ND1 3.45Å; W69-H103 WeakPolarHBondContact CZ2-ND1 3.32Å; W69-H103 AromaticContact CZ3-CD2 3.71Å; W69-H103 PolarHBondContact N-O 2.97Å; W69-H103 PolarHBondContact O-N 3.08Å; W69-K105 PolarHBondContact NE1-O 2.86Å; W69-F107 HydrophobicContact CB-CD2 3.94Å; W69-F107 HydrophobicContact CB-CE2 3.88Å; W69-F107 AromaticContact CD1-CD2 3.75Å; W69-F107 AromaticContact CG-CD2 3.99Å; W69-F107 HydrophobicContact CG-CD2 3.99Å; W69-F107 HydrophobicContact CG-CE2 4.4Å; W69-P108 HydrophobicContact CD2-CG 4.15Å; W69-P108 HydrophobicContact CE3-CG 3.98Å; W69-P108 HydrophobicContact CH2-CG 4.49Å; W69-P108 HydrophobicContact CZ3-CG 4.16Å; W69-L112 HydrophobicContact CB-CD1 3.91Å; W69-L112 HydrophobicContact CD2-CD1 4.46Å; W69-L112 HydrophobicContact CE3-CD1 4.12Å; W69-L112 HydrophobicContact CG-CD1 4.43Å
70F98.5Very high94.5Very high3 Ų350.6 Ų50.61%0.01328%0.276CS..EExtended strand (participates in β ladder)trans-125.8142.2-171-56.7-75.9000111.1F20 L45 T49 M68 L77 I100 T101 V102F20-F70 HydrophobicContact CD1-CD1 4.15Å; F20-F70 AromaticContact CD1-CE1 3.97Å; F20-F70 HydrophobicContact CD1-CE1 3.97Å; F20-F70 AromaticContact CE1-CD1 3.88Å; F20-F70 HydrophobicContact CE1-CD1 3.88Å; F20-F70 AromaticContact CE1-CE1 3.62Å; F20-F70 HydrophobicContact CE1-CE1 3.62Å; F20-F70 HydrophobicContact CE1-CZ 4.44Å; L45-F70 HydrophobicContact CB-CD2 4.01Å; L45-F70 HydrophobicContact CB-CE2 3.9Å; L45-F70 HydrophobicContact CD1-CB 4.34Å; L45-F70 HydrophobicContact CD1-CD2 3.93Å; L45-F70 HydrophobicContact CD1-CG 4.32Å; L45-F70 HydrophobicContact CG-CD2 4.47Å; T49-F70 HydrophobicContact CG2-CE1 4.38Å; T49-F70 HydrophobicContact CG2-CE2 4.47Å; T49-F70 HydrophobicContact CG2-CZ 3.79Å; T49-F70 WeakPolarHBondContact OG1-CZ 2.98Å; M68-F70 HydrophobicContact CE-CE1 4.17Å; M68-F70 HydrophobicContact CE-CE2 4.06Å; M68-F70 HydrophobicContact CE-CZ 3.42Å; M68-F70 VanDerWaalsContact CE-CZ 3.42Å; M68-F70 HydrophobicContact SD-CE1 4.35Å; M68-F70 HydrophobicContact SD-CZ 4.16Å; F70-L77 HydrophobicContact CB-CB 4.16Å; F70-L77 HydrophobicContact CB-CD1 4.03Å; F70-L77 HydrophobicContact CB-CG 4.46Å; F70-L77 PolarHBondContact O-N 3.23Å; F70-I100 HydrophobicContact CB-CG2 3.8Å; F70-I100 HydrophobicContact CD1-CG2 3.71Å; F70-I100 HydrophobicContact CG-CG2 4.14Å; F70-T101 WeakPolarHBondContact CA-O 3.26Å; F70-V102 HydrophobicContact CD1-CG2 4.03Å; F70-V102 HydrophobicContact CE1-CG2 3.98Å
71D96.6Very high94.8Very high12 Ų1251 Ų516%0.06428%0.278CS..EExtended strand (participates in β ladder)trans-124.6152.6171.1103.1-116.8000111.5W69 E73 G74 T75 T101 H103W69-D71 HydrophobicContact CH2-CB 4.48Å; W69-D71 HydrophobicContact CZ3-CB 3.79Å; D71-E73 PolarHBondContact OD2-N 3.05Å; D71-G74 PolarHBondContact OD2-N 3Å; D71-T75 WeakPolarHBondContact CA-O 3.46Å; D71-T101 PolarHBondContact N-O 2.99Å; D71-T101 PolarHBondContact O-N 3.38Å; D71-T101 WeakPolarHBondContact OD1-CB 3.45Å; D71-T101 VanDerWaalsContact OD1-CG2 3.3Å; D71-T101 WeakPolarHBondContact OD1-CG2 3.14Å; D71-T101 PolarHBondContact OD1-OG1 3.18Å; D71-H103 IonicContact OD1-CD2 2.9Å; D71-H103 IonicContact OD1-CE1 3.62Å; D71-H103 IonicContact OD1-NE2 2.66Å; D71-H103 PolarHBondContact OD1-NE2 3.35Å
72F96.6Very high95.2Very high8 Ų847.5 Ų47.54%0.03526%0.263CS..EExtended strand (participates in β ladder)trans-127.7116.6163.4177.5-101.7000109G74 T75 L77 H90 A91 T94 W98 S99F72-G74 PolarHBondContact O-N 3.06Å; F72-G74 VanDerWaalsContact O-N 3.17Å; F72-T75 PolarHBondContact N-O 2.67Å; F72-T75 VanDerWaalsContact O-CB 3.31Å; F72-T75 WeakPolarHBondContact O-CB 3.49Å; F72-T75 PolarHBondContact O-N 3.22Å; F72-L77 HydrophobicContact CB-CD1 4.2Å; F72-L77 HydrophobicContact CB-CD2 3.89Å; F72-L77 HydrophobicContact CB-CG 4.23Å; F72-H90 HydrophobicContact CD1-CB 3.93Å; F72-H90 HydrophobicContact CE1-CB 4.33Å; F72-H90 VanDerWaalsContact CE1-O 3.26Å; F72-H90 WeakPolarHBondContact CE1-O 3.44Å; F72-A91 HydrophobicContact CD1-CB 4.45Å; F72-A91 HydrophobicContact CE1-CB 3.89Å; F72-A91 HydrophobicContact CE2-CB 3.99Å; F72-A91 HydrophobicContact CZ-CB 3.64Å; F72-T94 HydrophobicContact CZ-CG2 4.07Å; F72-W98 AromaticContact CD2-CD1 3.51Å; F72-W98 AromaticContact CD2-NE1 3.07Å; F72-W98 AromaticContact CE2-CD1 3.54Å; F72-W98 AromaticContact CE2-NE1 3.54Å; F72-W98 AromaticContact CG-NE1 3.54Å; F72-S99 VanDerWaalsContact CD2-O 3.27Å; F72-S99 WeakPolarHBondContact CD2-O 3.29Å
73E94.2Very high95.7Very high155 Ų15542.8 Ų42.872%0.72422%0.224SC*.THydrogen-bonded Turntrans48.941.6179.8-62.3-174.1166.700113.1D71 T75D71-E73 PolarHBondContact OD2-N 3.05Å; E73-T75 VanDerWaalsContact C-N 3.28Å; E73-T75 PolarHBondContact O-N 3.1Å
74G92.9Very high96.1Very high63 Ų6335.2 Ų35.265%0.64919%0.188SC*.THydrogen-bonded Turntrans81.22.1-179.900000114.8D71 F72 P76D71-G74 PolarHBondContact OD2-N 3Å; F72-G74 PolarHBondContact O-N 3.06Å; F72-G74 VanDerWaalsContact O-N 3.17Å; G74-P76 WeakPolarHBondContact O-CD 3.31Å
75T94Very high96.6Very high58 Ų5834.5 Ų34.536%0.35619%0.185SC..EExtended strand (participates in β ladder)trans-95.3115.8173.2-57.80000110.4D71 F72 E73 L77D71-T75 WeakPolarHBondContact CA-O 3.46Å; F72-T75 PolarHBondContact N-O 2.67Å; F72-T75 VanDerWaalsContact O-CB 3.31Å; F72-T75 WeakPolarHBondContact O-CB 3.49Å; F72-T75 PolarHBondContact O-N 3.22Å; E73-T75 VanDerWaalsContact C-N 3.28Å; E73-T75 PolarHBondContact O-N 3.1Å; T75-L77 PolarHBondContact O-N 3.23Å
76P96.9Very high97Very high24 Ų2432.2 Ų32.216%0.15617%0.171CC..EExtended strand (participates in β ladder)trans-61.1126.9173.4-24.435000112.2W69 G74 K78 P108 D111 L112W69-P76 HydrophobicContact CE3-CB 4.47Å; W69-P76 HydrophobicContact CZ3-CB 4.29Å; W69-P76 HydrophobicContact CZ3-CG 4.31Å; G74-P76 WeakPolarHBondContact O-CD 3.31Å; P76-K78 PolarHBondContact O-N 3.21Å; P76-P108 HydrophobicContact CB-CG 3.86Å; P76-P108 HydrophobicContact CG-CB 4.13Å; P76-P108 HydrophobicContact CG-CG 3.94Å; P76-D111 HydrophobicContact CB-CB 4.27Å; P76-D111 HydrophobicContact CG-CB 4.18Å; P76-L112 HydrophobicContact CB-CD1 3.88Å; P76-L112 HydrophobicContact CB-CD2 3.9Å; P76-L112 HydrophobicContact CB-CG 3.76Å
77L97.4Very high97.2Very high3 Ų327.6 Ų27.62%0.01615%0.149CC..  trans-85.4115-176.6-63.6179.2000111.2L45 F70 F72 T75 W79 L86 W98 I100 L112L45-L77 HydrophobicContact CD1-CB 3.83Å; L45-L77 HydrophobicContact CD1-CD1 4.01Å; F70-L77 HydrophobicContact CB-CB 4.16Å; F70-L77 HydrophobicContact CB-CD1 4.03Å; F70-L77 HydrophobicContact CB-CG 4.46Å; F70-L77 PolarHBondContact O-N 3.23Å; F72-L77 HydrophobicContact CB-CD1 4.2Å; F72-L77 HydrophobicContact CB-CD2 3.89Å; F72-L77 HydrophobicContact CB-CG 4.23Å; T75-L77 PolarHBondContact O-N 3.23Å; L77-W79 PolarHBondContact O-N 3.48Å; L77-W79 VanDerWaalsContact O-N 3.07Å; L77-L86 HydrophobicContact CB-CD1 4.38Å; L77-L86 HydrophobicContact CD2-CD2 4.44Å; L77-W98 HydrophobicContact CD1-CH2 3.99Å; L77-W98 HydrophobicContact CD1-CZ2 3.62Å; L77-W98 HydrophobicContact CD2-CZ2 4.11Å; L77-I100 HydrophobicContact CD1-CD1 3.96Å; L77-I100 HydrophobicContact CD1-CG1 4.12Å; L77-I100 HydrophobicContact CD1-CG2 4.21Å; L77-L112 WeakPolarHBondContact O-CD2 3.4Å
78K97.6Very high97.3Very high73 Ų7325.4 Ų25.432%0.31714%0.139SC..  trans-67.5104.5-179.4-64.1-179.1-178.872.70110.7P76 H80 Y81 L112P76-K78 PolarHBondContact O-N 3.21Å; K78-H80 PolarHBondContact O-N 3.16Å; K78-Y81 HydrophobicContact CB-CD1 4.38Å; K78-Y81 HydrophobicContact CB-CG 4.25Å; K78-Y81 HydrophobicContact CD-CE1 4.39Å; K78-Y81 HydrophobicContact CD-CE2 4.29Å; K78-Y81 WeakPolarHBondContact O-CB 3.48Å; K78-Y81 PolarHBondContact O-N 3.36Å; K78-L112 HydrophobicContact CB-CD2 4.46Å; K78-L112 HydrophobicContact CG-CD2 4.07Å
79W98.1Very high97.2Very high15 Ų1525.4 Ų25.46%0.05714%0.139CC..THydrogen-bonded Turntrans-56.7-28.4-175.869.2-98.9000114.5Y44 T46 L77 Y81 L113 C115 V120 I121 H124Y44-W79 WeakPolarHBondContact CB-O 3.41Å; Y44-W79 WeakPolarHBondContact CD1-O 3.42Å; T46-W79 HydrophobicContact CG2-CB 3.64Å; T46-W79 HydrophobicContact CG2-CG 4.14Å; L77-W79 PolarHBondContact O-N 3.48Å; L77-W79 VanDerWaalsContact O-N 3.07Å; W79-Y81 PolarHBondContact O-N 3.01Å; W79-L113 PolarHBondContact NE1-O 3.33Å; W79-C115 HydrophobicContact CD2-CB 3.93Å; W79-C115 HydrophobicContact CG-CB 4.13Å; W79-C115 HydrophobicContact CZ2-CB 4.17Å; W79-V120 HydrophobicContact CH2-CG1 3.88Å; W79-V120 HydrophobicContact CZ2-CG1 3.96Å; W79-I121 HydrophobicContact CE3-CG1 4.28Å; W79-I121 HydrophobicContact CZ3-CB 4.27Å; W79-I121 HydrophobicContact CZ3-CG1 3.93Å; W79-I121 HydrophobicContact CZ3-CG2 4.33Å; W79-H124 HydrophobicContact CH2-CB 4.05Å; W79-H124 HydrophobicContact CZ3-CB 4.31Å
80H97.9Very high96.9Very high33 Ų3327.1 Ų27.115%0.15315%0.148CC..THydrogen-bonded Turntrans-81.7-1.5-178.962.3-87.4000112.8Y44 K78 H124Y44-H80 WeakPolarHBondContact CE1-O 3.25Å; K78-H80 PolarHBondContact O-N 3.16Å; H80-H124 PolarHBondContact O-NE2 3.03Å
81Y98.4Very high96.6Very high20 Ų2027 Ų278%0.07815%0.148CC..SBendtrans-92.1139.6166.9-77.619.6000108.6K78 W79 L85 L86 Y190K78-Y81 HydrophobicContact CB-CD1 4.38Å; K78-Y81 HydrophobicContact CB-CG 4.25Å; K78-Y81 HydrophobicContact CD-CE1 4.39Å; K78-Y81 HydrophobicContact CD-CE2 4.29Å; K78-Y81 WeakPolarHBondContact O-CB 3.48Å; K78-Y81 PolarHBondContact O-N 3.36Å; W79-Y81 PolarHBondContact O-N 3.01Å; Y81-L85 HydrophobicContact CD2-CD2 3.72Å; Y81-L85 HydrophobicContact CD2-CG 4.41Å; Y81-L85 HydrophobicContact CE2-CD2 4.4Å; Y81-L85 HydrophobicContact CG-CD2 4Å; Y81-L86 HydrophobicContact CD2-CD2 4.28Å; Y81-L86 HydrophobicContact CG-CD2 4.46Å; Y81-Y190 HydrophobicContact CD2-CD1 4.49Å; Y81-Y190 HydrophobicContact CD2-CE1 4.08Å; Y81-Y190 HydrophobicContact CE1-CE1 4.47Å; Y81-Y190 AromaticContact CE2-CD1 3.78Å; Y81-Y190 HydrophobicContact CE2-CD1 3.78Å; Y81-Y190 AromaticContact CE2-CE1 3.42Å; Y81-Y190 HydrophobicContact CE2-CE1 3.42Å; Y81-Y190 VanDerWaalsContact CE2-CE1 3.42Å; Y81-Y190 AromaticContact CZ-CE1 3.66Å
82P98.8Very high96.2Very high3 Ų328.3 Ų28.32%0.01916%0.158CC..  trans-56.6145175.4-26.135000112.2S43 Y44 G84 L85 L86 H260S43-P82 WeakPolarHBondContact O-CA 3.3Å; Y44-P82 HydrophobicContact CE1-CG 4.36Å; P82-G84 VanDerWaalsContact C-N 3.26Å; P82-G84 PolarHBondContact O-N 3.27Å; P82-L85 HydrophobicContact CB-CB 4.32Å; P82-L85 WeakPolarHBondContact O-CB 3.47Å; P82-L85 PolarHBondContact O-N 2.89Å; P82-L85 VanDerWaalsContact O-N 3.08Å; P82-L86 PolarHBondContact O-N 2.9Å; P82-H260 WeakPolarHBondContact CB-CD2 3.36Å
83I98.9Very high95.7Very high0 Ų032.4 Ų32.40%018%0.18CC..Hα-helixtrans-55.9-43.3-178.6-69.5165.7000111I16 L39 P40 R41 S43 L45 V48 L85 L86 F87 W98I16-I83 HydrophobicContact CD1-CG2 3.91Å; L39-I83 HydrophobicContact CB-CD1 4.31Å; L39-I83 HydrophobicContact CB-CG2 3.76Å; L39-I83 HydrophobicContact CD1-CG2 3.95Å; P40-I83 WeakPolarHBondContact O-CD1 3.19Å; R41-I83 PolarHBondContact O-N 2.9Å; S43-I83 VanDerWaalsContact O-CG1 3.31Å; S43-I83 WeakPolarHBondContact O-CG1 3.06Å; S43-I83 PolarHBondContact O-N 2.84Å; L45-I83 HydrophobicContact CD2-CD1 4.38Å; L45-I83 HydrophobicContact CD2-CG1 3.99Å; L45-I83 HydrophobicContact CG-CG1 3.99Å; V48-I83 HydrophobicContact CG2-CD1 3.6Å; I83-L85 VanDerWaalsContact C-N 3.33Å; I83-L85 PolarHBondContact O-N 3.31Å; I83-L86 PolarHBondContact O-N 3.12Å; I83-F87 PolarHBondContact O-N 2.87Å; I83-W98 HydrophobicContact CG2-CZ3 4.04Å
84G98.7Very high95.5Very high0 Ų027.4 Ų27.40%016%0.16CC..Hα-helixtrans-60-43.6178.400000112R41 P82 F87 D88R41-G84 WeakPolarHBondContact O-CA 3.33Å; R41-G84 PolarHBondContact O-N 3.15Å; P82-G84 VanDerWaalsContact C-N 3.26Å; P82-G84 PolarHBondContact O-N 3.27Å; G84-F87 PolarHBondContact O-N 3.27Å; G84-D88 VanDerWaalsContact O-CB 3.32Å; G84-D88 WeakPolarHBondContact O-CB 3.4Å; G84-D88 PolarHBondContact O-N 3.2Å
85L98.6Very high95.5Very high3 Ų328.6 Ų28.62%0.01616%0.164CC..Hα-helixtrans-62.6-48.2175.5169.363000111.6Y81 P82 I83 F87 D88 L89 Y190 H266 S268Y81-L85 HydrophobicContact CD2-CD2 3.72Å; Y81-L85 HydrophobicContact CD2-CG 4.41Å; Y81-L85 HydrophobicContact CE2-CD2 4.4Å; Y81-L85 HydrophobicContact CG-CD2 4Å; P82-L85 HydrophobicContact CB-CB 4.32Å; P82-L85 WeakPolarHBondContact O-CB 3.47Å; P82-L85 PolarHBondContact O-N 2.89Å; P82-L85 VanDerWaalsContact O-N 3.08Å; I83-L85 VanDerWaalsContact C-N 3.33Å; I83-L85 PolarHBondContact O-N 3.31Å; L85-F87 VanDerWaalsContact C-N 3.3Å; L85-F87 PolarHBondContact O-N 2.84Å; L85-D88 PolarHBondContact O-N 2.77Å; L85-L89 WeakPolarHBondContact O-CB 3.47Å; L85-L89 PolarHBondContact O-N 3.17Å; L85-Y190 HydrophobicContact CD1-CD1 4.41Å; L85-Y190 HydrophobicContact CD1-CD2 3.5Å; L85-Y190 HydrophobicContact CD1-CE2 3.89Å; L85-Y190 HydrophobicContact CD1-CG 3.8Å; L85-Y190 HydrophobicContact CD2-CD1 4.16Å; L85-Y190 HydrophobicContact CD2-CD2 3.98Å; L85-Y190 HydrophobicContact CD2-CE1 3.74Å; L85-Y190 HydrophobicContact CD2-CE2 3.55Å; L85-Y190 HydrophobicContact CD2-CG 4.27Å; L85-Y190 VanDerWaalsContact CD2-CZ 3.4Å; L85-Y190 HydrophobicContact CG-CD2 4.39Å; L85-Y190 HydrophobicContact CG-CE2 4.39Å; L85-H266 HydrophobicContact CD1-CB 4.31Å; L85-H266 HydrophobicContact CD2-CB 4.24Å; L85-S268 WeakPolarHBondContact CD1-OG 3.26Å
86L97.9Very high95.6Very high1 Ų130.8 Ų30.81%0.00517%0.173CC..Hα-helixtrans-57.8-44.7179-70.2171.7000111.5L45 L77 Y81 P82 I83 H90 W98L45-L86 HydrophobicContact CD1-CD1 3.74Å; L45-L86 HydrophobicContact CG-CD1 4.27Å; L77-L86 HydrophobicContact CB-CD1 4.38Å; L77-L86 HydrophobicContact CD2-CD2 4.44Å; Y81-L86 HydrophobicContact CD2-CD2 4.28Å; Y81-L86 HydrophobicContact CG-CD2 4.46Å; P82-L86 PolarHBondContact O-N 2.9Å; I83-L86 PolarHBondContact O-N 3.12Å; L86-H90 WeakPolarHBondContact O-CB 3.34Å; L86-H90 PolarHBondContact O-CD2 3.1Å; L86-H90 PolarHBondContact O-N 2.96Å; L86-W98 HydrophobicContact CB-CH2 3.86Å; L86-W98 HydrophobicContact CB-CZ2 4.43Å
87F98.1Very high95.6Very high15 Ų1531.8 Ų31.87%0.06618%0.18CC..Hα-helixtrans-65.7-48.9176.8178.3-98.5000112I16 I83 G84 L85 L89 H90 A91 S92 L96 W98I16-F87 HydrophobicContact CD1-CB 3.43Å; I16-F87 VanDerWaalsContact CD1-CB 3.43Å; I16-F87 HydrophobicContact CD1-CD1 3.97Å; I16-F87 HydrophobicContact CD1-CD2 4.48Å; I16-F87 HydrophobicContact CD1-CG 3.7Å; I16-F87 HydrophobicContact CG1-CB 4.37Å; I16-F87 HydrophobicContact CG1-CD1 4.12Å; I16-F87 HydrophobicContact CG1-CG 4.11Å; I16-F87 HydrophobicContact CG2-CD2 3.77Å; I16-F87 HydrophobicContact CG2-CE2 4.04Å; I16-F87 HydrophobicContact CG2-CG 4.05Å; I83-F87 PolarHBondContact O-N 2.87Å; G84-F87 PolarHBondContact O-N 3.27Å; L85-F87 VanDerWaalsContact C-N 3.3Å; L85-F87 PolarHBondContact O-N 2.84Å; F87-L89 PolarHBondContact O-N 3.5Å; F87-H90 PolarHBondContact O-N 3.43Å; F87-A91 HydrophobicContact CD2-CB 3.72Å; F87-A91 HydrophobicContact CE2-CB 3.83Å; F87-A91 CarbonylContact O-C 3.6Å; F87-A91 WeakPolarHBondContact O-CA 3.44Å; F87-A91 PolarHBondContact O-N 3.22Å; F87-S92 PolarHBondContact O-N 3.39Å; F87-L96 HydrophobicContact CE2-CD2 3.87Å; F87-L96 HydrophobicContact CZ-CD2 3.68Å; F87-W98 HydrophobicContact CB-CD2 4.46Å; F87-W98 HydrophobicContact CB-CE3 4.11Å; F87-W98 HydrophobicContact CB-CH2 4.43Å; F87-W98 HydrophobicContact CB-CZ3 4.09Å; F87-W98 HydrophobicContact CD2-CB 3.85Å; F87-W98 AromaticContact CD2-CD2 3.68Å; F87-W98 HydrophobicContact CD2-CD2 3.68Å; F87-W98 AromaticContact CD2-CE3 3.93Å; F87-W98 HydrophobicContact CD2-CE3 3.93Å; F87-W98 AromaticContact CD2-CG 3.64Å; F87-W98 HydrophobicContact CD2-CG 3.64Å; F87-W98 HydrophobicContact CE2-CB 3.84Å; F87-W98 HydrophobicContact CE2-CG 4.03Å; F87-W98 HydrophobicContact CG-CE3 4.45Å
88D97.1Very high95.7Very high4 Ų431.7 Ų31.72%0.02118%0.179CC..Hα-helixtrans-61.4-35.1-178.2-68.2-14.1000111.7R41 G84 L85 S92 V239 H241 G242R41-D88 IonicContact CZ-OD1 3.55Å; R41-D88 VanDerWaalsContact NH1-CG 3.34Å; R41-D88 IonicContact NH1-OD1 3.9Å; R41-D88 PolarHBondContact NH1-OD1 2.99Å; R41-D88 IonicContact NH1-OD2 3.34Å; R41-D88 PolarHBondContact NH1-OD2 2.83Å; R41-D88 IonicContact NH2-OD1 3.4Å; R41-D88 PolarHBondContact NH2-OD1 3.4Å; G84-D88 VanDerWaalsContact O-CB 3.32Å; G84-D88 WeakPolarHBondContact O-CB 3.4Å; G84-D88 PolarHBondContact O-N 3.2Å; L85-D88 PolarHBondContact O-N 2.77Å; D88-S92 WeakPolarHBondContact O-CB 3.24Å; D88-S92 PolarHBondContact O-OG 3.16Å; D88-V239 HydrophobicContact CB-CG1 3.95Å; D88-H241 PolarHBondContact OD2-N 3.49Å; D88-G242 VanDerWaalsContact OD1-CA 3.28Å; D88-G242 WeakPolarHBondContact OD1-CA 3.4Å; D88-G242 PolarHBondContact OD1-N 3.26Å; D88-G242 PolarHBondContact OD2-N 2.96Å
89L94.7Very high95.7Very high16 Ų1631.4 Ų31.48%0.08419%0.186CC..Hα-helixtrans-77.6-41.2-179.7-170.865.4000112.9L85 F87 T192L85-L89 WeakPolarHBondContact O-CB 3.47Å; L85-L89 PolarHBondContact O-N 3.17Å; F87-L89 PolarHBondContact O-N 3.5Å; L89-T192 HydrophobicContact CD1-CG2 3.56Å; L89-T192 HydrophobicContact CG-CG2 4.05Å; L89-T192 WeakPolarHBondContact O-CG2 3.4Å
90H92.8Very high95.7Very high60 Ų6030.8 Ų30.828%0.27818%0.184SC..Hα-helixtrans-107.3-28.7-168.9-60.2-59.9000114.6F72 L86 F87F72-H90 HydrophobicContact CD1-CB 3.93Å; F72-H90 HydrophobicContact CE1-CB 4.33Å; F72-H90 VanDerWaalsContact CE1-O 3.26Å; F72-H90 WeakPolarHBondContact CE1-O 3.44Å; L86-H90 WeakPolarHBondContact O-CB 3.34Å; L86-H90 PolarHBondContact O-CD2 3.1Å; L86-H90 PolarHBondContact O-N 2.96Å; F87-H90 PolarHBondContact O-N 3.43Å
91A92.7Very high95.8Very high1 Ų130.8 Ų30.81%0.00819%0.186CC..THydrogen-bonded Turntrans-1354.9-163.700000114.6F72 F87 N93 T94 W98F72-A91 HydrophobicContact CD1-CB 4.45Å; F72-A91 HydrophobicContact CE1-CB 3.89Å; F72-A91 HydrophobicContact CE2-CB 3.99Å; F72-A91 HydrophobicContact CZ-CB 3.64Å; F87-A91 HydrophobicContact CD2-CB 3.72Å; F87-A91 HydrophobicContact CE2-CB 3.83Å; F87-A91 CarbonylContact O-C 3.6Å; F87-A91 WeakPolarHBondContact O-CA 3.44Å; F87-A91 PolarHBondContact O-N 3.22Å; A91-N93 PolarHBondContact O-N 3.24Å; A91-T94 PolarHBondContact O-N 2.78Å; A91-T94 PolarHBondContact O-OG1 3.47Å; A91-W98 HydrophobicContact CB-CG 4.29Å
92S87.3Confident95.8Very high39 Ų3929.8 Ų29.827%0.27318%0.183SC..THydrogen-bonded Turntrans-59.1-31-178.543.40000114.1F87 D88 I270F87-S92 PolarHBondContact O-N 3.39Å; D88-S92 WeakPolarHBondContact O-CB 3.24Å; D88-S92 PolarHBondContact O-OG 3.16Å; S92-I270 WeakPolarHBondContact OG-CD1 3.44Å
93N86.9Confident95.7Very high95 Ų9530.3 Ų30.351%0.50819%0.185SC..THydrogen-bonded Turntrans-946.8179.1-66.6-20.6000113.5A91A91-N93 PolarHBondContact O-N 3.24Å
94T88.9Confident95.6Very high49 Ų4930.3 Ų30.330%0.30119%0.185SC..SBendtrans-99.8158.6178.969.90000111.8F72 A91 L96F72-T94 HydrophobicContact CZ-CG2 4.07Å; A91-T94 PolarHBondContact O-N 2.78Å; A91-T94 PolarHBondContact O-OG1 3.47Å; T94-L96 PolarHBondContact O-N 3.4Å
95A92.9Very high95.3Very high89 Ų8932.5 Ų32.574%0.73619%0.194SC*.PPolyproline II helixtrans-66.713417800000110.6
96L96.9Very high95.1Very high104 Ų10439 Ų3955%0.54523%0.229SC..SBendtrans-71.7150.2171.5-67.7177.8000111P17 F87 T94P17-L96 HydrophobicContact CG-CB 4.26Å; P17-L96 HydrophobicContact CG-CD1 3.89Å; P17-L96 HydrophobicContact CG-CD2 4.04Å; P17-L96 HydrophobicContact CG-CG 4.29Å; F87-L96 HydrophobicContact CE2-CD2 3.87Å; F87-L96 HydrophobicContact CZ-CD2 3.68Å; T94-L96 PolarHBondContact O-N 3.4Å
97P97.9Very high95.1Very high45 Ų4540 Ų4029%0.29223%0.233SC..SBendcis-75.8154.41.131.8-35.5000113.5P17 C19 Y36 S99P17-P97 HydrophobicContact CB-CB 4.29Å; P17-P97 CarbonylContact O-C 3.58Å; P17-P97 WeakPolarHBondContact O-CA 3.24Å; P17-P97 WeakPolarHBondContact O-CB 3.19Å; C19-P97 HydrophobicContact CB-CB 4.31Å; C19-P97 HydrophobicContact CB-CG 3.9Å; Y36-P97 HydrophobicContact CE1-CG 4.14Å; P97-S99 PolarHBondContact O-N 3.27Å; P97-S99 VanDerWaalsContact O-N 3.1Å; P97-S99 PolarHBondContact O-OG 3.46Å
98W98.3Very high95Very high0 Ų040.2 Ų40.20%024%0.236CC..EExtended strand (participates in β ladder)trans-59.3115.8173.4-176.323.8000109.8I16 P17 T18 C19 L39 F72 L77 I83 L86 F87 A91 I100I16-W98 HydrophobicContact CG2-CB 3.95Å; I16-W98 HydrophobicContact CG2-CE3 3.99Å; P17-W98 PolarHBondContact O-N 2.73Å; T18-W98 CarbonylContact C-O 3.53Å; T18-W98 VanDerWaalsContact CA-O 3.28Å; T18-W98 WeakPolarHBondContact CA-O 3.38Å; T18-W98 HydrophobicContact CG2-CB 4.45Å; T18-W98 HydrophobicContact CG2-CE3 4.47Å; T18-W98 VanDerWaalsContact CG2-O 3.28Å; T18-W98 WeakPolarHBondContact CG2-O 3.32Å; C19-W98 PolarHBondContact N-O 2.87Å; L39-W98 HydrophobicContact CD1-CE3 4.36Å; L39-W98 HydrophobicContact CD1-CZ3 4.22Å; F72-W98 AromaticContact CD2-CD1 3.51Å; F72-W98 AromaticContact CD2-NE1 3.07Å; F72-W98 AromaticContact CE2-CD1 3.54Å; F72-W98 AromaticContact CE2-NE1 3.54Å; F72-W98 AromaticContact CG-NE1 3.54Å; L77-W98 HydrophobicContact CD1-CH2 3.99Å; L77-W98 HydrophobicContact CD1-CZ2 3.62Å; L77-W98 HydrophobicContact CD2-CZ2 4.11Å; I83-W98 HydrophobicContact CG2-CZ3 4.04Å; L86-W98 HydrophobicContact CB-CH2 3.86Å; L86-W98 HydrophobicContact CB-CZ2 4.43Å; F87-W98 HydrophobicContact CB-CD2 4.46Å; F87-W98 HydrophobicContact CB-CE3 4.11Å; F87-W98 HydrophobicContact CB-CH2 4.43Å; F87-W98 HydrophobicContact CB-CZ3 4.09Å; F87-W98 HydrophobicContact CD2-CB 3.85Å; F87-W98 AromaticContact CD2-CD2 3.68Å; F87-W98 HydrophobicContact CD2-CD2 3.68Å; F87-W98 AromaticContact CD2-CE3 3.93Å; F87-W98 HydrophobicContact CD2-CE3 3.93Å; F87-W98 AromaticContact CD2-CG 3.64Å; F87-W98 HydrophobicContact CD2-CG 3.64Å; F87-W98 HydrophobicContact CE2-CB 3.84Å; F87-W98 HydrophobicContact CE2-CG 4.03Å; F87-W98 HydrophobicContact CG-CE3 4.45Å; A91-W98 HydrophobicContact CB-CG 4.29Å; W98-I100 HydrophobicContact CD2-CD1 3.8Å; W98-I100 HydrophobicContact CD2-CG1 3.8Å; W98-I100 HydrophobicContact CE3-CD1 3.71Å; W98-I100 HydrophobicContact CE3-CG1 4.24Å; W98-I100 HydrophobicContact CG-CG1 4.2Å; W98-I100 HydrophobicContact CH2-CD1 3.74Å; W98-I100 HydrophobicContact CH2-CG1 4.46Å; W98-I100 HydrophobicContact CZ2-CD1 3.84Å; W98-I100 HydrophobicContact CZ2-CG1 4.05Å; W98-I100 HydrophobicContact CZ3-CD1 3.68Å; W98-I100 PolarHBondContact O-N 3.3Å
99S98Very high95Very high68 Ų6845.9 Ų45.948%0.47626%0.262SS..EExtended strand (participates in β ladder)trans-92.199.7-173.9-63.30000110.6F72 P97F72-S99 VanDerWaalsContact CD2-O 3.27Å; F72-S99 WeakPolarHBondContact CD2-O 3.29Å; P97-S99 PolarHBondContact O-N 3.27Å; P97-S99 VanDerWaalsContact O-N 3.1Å; P97-S99 PolarHBondContact O-OG 3.46Å
100I98.6Very high95Very high1 Ų156.6 Ų56.61%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-100.2133.8178.8-64.1-177.6000109.4T18 C19 F20 T21 L39 L45 F70 L77 W98T18-I100 HydrophobicContact CG2-CB 4.23Å; T18-I100 HydrophobicContact CG2-CD1 3.59Å; T18-I100 HydrophobicContact CG2-CG1 3.8Å; C19-I100 PolarHBondContact O-N 2.87Å; F20-I100 CarbonylContact C-O 3.53Å; F20-I100 VanDerWaalsContact CA-O 3.27Å; F20-I100 WeakPolarHBondContact CA-O 3.18Å; F20-I100 HydrophobicContact CD1-CB 3.88Å; F20-I100 HydrophobicContact CD1-CG2 3.78Å; F20-I100 HydrophobicContact CE1-CB 4Å; F20-I100 HydrophobicContact CE1-CD1 3.93Å; F20-I100 HydrophobicContact CE1-CG2 3.81Å; F20-I100 HydrophobicContact CZ-CD1 4.23Å; T21-I100 PolarHBondContact N-O 3.27Å; L39-I100 HydrophobicContact CD1-CD1 4.3Å; L45-I100 HydrophobicContact CD2-CD1 4.18Å; F70-I100 HydrophobicContact CB-CG2 3.8Å; F70-I100 HydrophobicContact CD1-CG2 3.71Å; F70-I100 HydrophobicContact CG-CG2 4.14Å; L77-I100 HydrophobicContact CD1-CD1 3.96Å; L77-I100 HydrophobicContact CD1-CG1 4.12Å; L77-I100 HydrophobicContact CD1-CG2 4.21Å; W98-I100 HydrophobicContact CD2-CD1 3.8Å; W98-I100 HydrophobicContact CD2-CG1 3.8Å; W98-I100 HydrophobicContact CE3-CD1 3.71Å; W98-I100 HydrophobicContact CE3-CG1 4.24Å; W98-I100 HydrophobicContact CG-CG1 4.2Å; W98-I100 HydrophobicContact CH2-CD1 3.74Å; W98-I100 HydrophobicContact CH2-CG1 4.46Å; W98-I100 HydrophobicContact CZ2-CD1 3.84Å; W98-I100 HydrophobicContact CZ2-CG1 4.05Å; W98-I100 HydrophobicContact CZ3-CD1 3.68Å; W98-I100 PolarHBondContact O-N 3.3Å
101T98.6Very high95Very high33 Ų3358.2 Ų58.220%0.20231%0.312CS..EExtended strand (participates in β ladder)trans-93.2138.8171.1-50.80000110T21 Y23 F70 D71 H103T21-T101 CarbonylContact O-C 3.53Å; T21-T101 VanDerWaalsContact O-CA 3.27Å; T21-T101 WeakPolarHBondContact O-CA 3.44Å; Y23-T101 HydrophobicContact CD2-CG2 3.94Å; Y23-T101 HydrophobicContact CG-CG2 4.33Å; F70-T101 WeakPolarHBondContact CA-O 3.26Å; D71-T101 PolarHBondContact N-O 2.99Å; D71-T101 PolarHBondContact O-N 3.38Å; D71-T101 WeakPolarHBondContact OD1-CB 3.45Å; D71-T101 VanDerWaalsContact OD1-CG2 3.3Å; D71-T101 WeakPolarHBondContact OD1-CG2 3.14Å; D71-T101 PolarHBondContact OD1-OG1 3.18Å; T101-H103 WeakPolarHBondContact CG2-NE2 3.31Å
102V98.3Very high95.2Very high0 Ų058.6 Ų58.60%032%0.315CS..EExtended strand (participates in β ladder)trans-105.9134.4178.4-176.20000109.7F20 T21 Y23 V52 F56 M68 F70 F104F20-V102 HydrophobicContact CB-CG2 4Å; F20-V102 HydrophobicContact CD1-CG2 3.74Å; F20-V102 HydrophobicContact CG-CG2 4.34Å; T21-V102 PolarHBondContact O-N 2.86Å; Y23-V102 WeakPolarHBondContact CB-O 3.27Å; Y23-V102 PolarHBondContact N-O 3.38Å; V52-V102 HydrophobicContact CG1-CG2 4.12Å; F56-V102 HydrophobicContact CD2-CB 4.19Å; F56-V102 HydrophobicContact CD2-CG1 4.09Å; F56-V102 HydrophobicContact CD2-CG2 4.07Å; F56-V102 HydrophobicContact CE2-CB 4.17Å; F56-V102 HydrophobicContact CE2-CG2 3.69Å; M68-V102 HydrophobicContact CG-CG1 3.73Å; M68-V102 HydrophobicContact SD-CG1 3.93Å; F70-V102 HydrophobicContact CD1-CG2 4.03Å; F70-V102 HydrophobicContact CE1-CG2 3.98Å; V102-F104 HydrophobicContact CG1-CD2 4.49Å; V102-F104 HydrophobicContact CG1-CE2 3.89Å; V102-F104 HydrophobicContact CG1-CZ 4.28Å
103H97.8Very high95.6Very high13 Ų1361.5 Ų61.56%0.0633%0.326CS..EExtended strand (participates in β ladder)trans-125.9151.8177.7-63.1-100.1000110.6Y23 M68 W69 D71 T101Y23-H103 VanDerWaalsContact CB-CE1 3.48Å; Y23-H103 WeakPolarHBondContact CB-CE1 3.37Å; Y23-H103 WeakPolarHBondContact CB-ND1 3.37Å; Y23-H103 AromaticContact CD1-CE1 3.75Å; Y23-H103 AromaticContact CD1-ND1 3.69Å; Y23-H103 AromaticContact CD2-CE1 3.33Å; Y23-H103 WeakPolarHBondContact CD2-CE1 3.39Å; Y23-H103 AromaticContact CE2-CE1 3.96Å; Y23-H103 AromaticContact CG-CE1 3.22Å; Y23-H103 AromaticContact CG-ND1 3.47Å; M68-H103 VanDerWaalsContact CA-O 3.3Å; M68-H103 WeakPolarHBondContact CA-O 3.28Å; W69-H103 HydrophobicContact CD2-CB 3.69Å; W69-H103 AromaticContact CE2-CG 3.52Å; W69-H103 HydrophobicContact CE3-CB 4.41Å; W69-H103 AromaticContact CE3-CD2 4Å; W69-H103 HydrophobicContact CG-CB 4Å; W69-H103 HydrophobicContact CH2-CB 4.24Å; W69-H103 AromaticContact CH2-CD2 3.55Å; W69-H103 AromaticContact CH2-CE1 3.76Å; W69-H103 AromaticContact CH2-CG 3.62Å; W69-H103 AromaticContact CH2-ND1 3.77Å; W69-H103 AromaticContact CH2-NE2 3.64Å; W69-H103 HydrophobicContact CZ2-CB 3.5Å; W69-H103 AromaticContact CZ2-CD2 3.72Å; W69-H103 AromaticContact CZ2-CE1 3.92Å; W69-H103 AromaticContact CZ2-CG 3.29Å; W69-H103 AromaticContact CZ2-ND1 3.45Å; W69-H103 WeakPolarHBondContact CZ2-ND1 3.32Å; W69-H103 AromaticContact CZ3-CD2 3.71Å; W69-H103 PolarHBondContact N-O 2.97Å; W69-H103 PolarHBondContact O-N 3.08Å; D71-H103 IonicContact OD1-CD2 2.9Å; D71-H103 IonicContact OD1-CE1 3.62Å; D71-H103 IonicContact OD1-NE2 2.66Å; D71-H103 PolarHBondContact OD1-NE2 3.35Å; T101-H103 WeakPolarHBondContact CG2-NE2 3.31Å
104F96.5Very high96.2Very high0 Ų060.9 Ų60.90%032%0.32CS..SBendtrans-126.5-9.7173.3-71.8-82.1000113.1L22 E26 K53 F56 L57 M60 V65 E66 M68 V102L22-F104 HydrophobicContact CD1-CD2 3.91Å; L22-F104 HydrophobicContact CD1-CE2 3.86Å; E26-F104 PolarHBondContact OE1-N 3.39Å; K53-F104 HydrophobicContact CG-CE1 4.48Å; F56-F104 HydrophobicContact CB-CE2 3.71Å; F56-F104 HydrophobicContact CB-CZ 4.02Å; L57-F104 HydrophobicContact CD2-CD1 4.34Å; L57-F104 HydrophobicContact CD2-CE1 3.77Å; L57-F104 HydrophobicContact CD2-CZ 4.14Å; L57-F104 HydrophobicContact CG-CE1 4.25Å; L57-F104 HydrophobicContact CG-CZ 4.33Å; M60-F104 HydrophobicContact CE-CB 3.93Å; M60-F104 HydrophobicContact CE-CD2 4.02Å; M60-F104 HydrophobicContact CE-CG 4.21Å; M60-F104 HydrophobicContact CG-CD2 4.27Å; M60-F104 HydrophobicContact CG-CE2 4.39Å; M60-F104 HydrophobicContact SD-CD2 4.34Å; V65-F104 HydrophobicContact CG1-CD1 4.17Å; E66-F104 WeakPolarHBondContact CA-O 3.47Å; E66-F104 WeakPolarHBondContact CB-O 3.4Å; E66-F104 WeakPolarHBondContact CG-O 3.43Å; E66-F104 PolarHBondContact N-O 2.87Å; M68-F104 HydrophobicContact CB-CD1 3.98Å; M68-F104 HydrophobicContact CB-CE1 3.67Å; M68-F104 HydrophobicContact CB-CZ 4.33Å; M68-F104 HydrophobicContact CG-CD1 4.33Å; M68-F104 HydrophobicContact CG-CE1 3.8Å; M68-F104 HydrophobicContact CG-CZ 3.95Å; M68-F104 HydrophobicContact SD-CE1 4.2Å; M68-F104 HydrophobicContact SD-CZ 4.01Å; V102-F104 HydrophobicContact CG1-CD2 4.49Å; V102-F104 HydrophobicContact CG1-CE2 3.89Å; V102-F104 HydrophobicContact CG1-CZ 4.28Å
105K93.5Very high96.5Very high46 Ų4659.3 Ų59.320%0.231%0.311CS..SBendtrans-119.4171.3174.9-70.8-174.7174.6-177.80111.9E26 D64 W69 F107E26-K105 PolarHBondContact OE1-N 3.28Å; E26-K105 VanDerWaalsContact OE1-N 3.11Å; D64-K105 WeakPolarHBondContact O-CE 3.41Å; D64-K105 WeakPolarHBondContact OD1-CE 3.49Å; D64-K105 IonicContact OD1-NZ 2.67Å; D64-K105 PolarHBondContact OD1-NZ 3.23Å; W69-K105 PolarHBondContact NE1-O 2.86Å; K105-F107 VanDerWaalsContact C-N 3.33Å; K105-F107 PolarHBondContact O-N 3.24Å
106N94Very high96.5Very high139 Ų13959.9 Ų59.974%0.74331%0.307SS*.SBendtrans55.146.7172.1-56.5-45.3000112.3
107F96.8Very high96.4Very high23 Ų2357.3 Ų57.310%0.10130%0.298CS..  trans-53.7127.3-179.6-170.3-88.8000110.7E67 W69 K105 E109 L112 H114E67-F107 HydrophobicContact CB-CD2 4.2Å; E67-F107 HydrophobicContact CB-CE2 4.49Å; E67-F107 HydrophobicContact CG-CD2 4.27Å; E67-F107 HydrophobicContact CG-CE2 4.07Å; W69-F107 HydrophobicContact CB-CD2 3.94Å; W69-F107 HydrophobicContact CB-CE2 3.88Å; W69-F107 AromaticContact CD1-CD2 3.75Å; W69-F107 AromaticContact CG-CD2 3.99Å; W69-F107 HydrophobicContact CG-CD2 3.99Å; W69-F107 HydrophobicContact CG-CE2 4.4Å; K105-F107 VanDerWaalsContact C-N 3.33Å; K105-F107 PolarHBondContact O-N 3.24Å; F107-E109 VanDerWaalsContact C-N 3.31Å; F107-E109 PolarHBondContact O-N 3.18Å; F107-L112 HydrophobicContact CE1-CB 3.82Å; F107-L112 HydrophobicContact CE2-CB 4.49Å; F107-L112 HydrophobicContact CE2-CD1 4.44Å; F107-L112 HydrophobicContact CZ-CB 3.64Å; F107-L112 HydrophobicContact CZ-CD1 4.36Å; F107-H114 AromaticContact CD1-CE1 3.65Å; F107-H114 AromaticContact CE1-CE1 3.73Å; F107-H114 AromaticContact CE1-ND1 3.74Å; F107-H114 AromaticContact CZ-ND1 3.92Å
108P96.8Very high96.3Very high20 Ų2058 Ų5813%0.1330%0.299CS..  trans-79.879.7-175.131.8-36.2000111W69 P76 R110 D111 L112W69-P108 HydrophobicContact CD2-CG 4.15Å; W69-P108 HydrophobicContact CE3-CG 3.98Å; W69-P108 HydrophobicContact CH2-CG 4.49Å; W69-P108 HydrophobicContact CZ3-CG 4.16Å; P76-P108 HydrophobicContact CB-CG 3.86Å; P76-P108 HydrophobicContact CG-CB 4.13Å; P76-P108 HydrophobicContact CG-CG 3.94Å; P108-R110 PolarHBondContact O-N 3.29Å; P108-D111 HydrophobicContact CB-CB 4.26Å; P108-D111 PolarHBondContact O-N 3.07Å; P108-L112 HydrophobicContact CG-CB 4.25Å; P108-L112 HydrophobicContact CG-CD1 3.56Å; P108-L112 HydrophobicContact CG-CG 3.73Å; P108-L112 PolarHBondContact O-N 3.31Å
109E96.4Very high96.3Very high122 Ų12261.4 Ų61.457%0.5732%0.323SS*.THydrogen-bonded Turntrans-51.7-25.9-176.8-66.8-65.417000115.1F107 H114F107-E109 VanDerWaalsContact C-N 3.31Å; F107-E109 PolarHBondContact O-N 3.18Å; E109-H114 IonicContact OE1-CE1 2.65Å; E109-H114 PolarHBondContact OE1-CE1 3.02Å; E109-H114 IonicContact OE1-NE2 2.71Å; E109-H114 PolarHBondContact OE1-NE2 3.26Å; E109-H114 IonicContact OE2-CD2 2.63Å; E109-H114 IonicContact OE2-CE1 3.54Å; E109-H114 IonicContact OE2-NE2 3.77Å; E109-H114 PolarHBondContact OE2-NE2 3.31Å
110R94.5Very high96.2Very high241 Ų24160.5 Ų60.591%0.90931%0.314SS*.THydrogen-bonded Turntrans-85.7-23.4-179.2-65.5-175.1177-178.80.3113P108P108-R110 PolarHBondContact O-N 3.29Å
111D93.2Very high96.2Very high94 Ų9460.4 Ų60.450%0.50331%0.314SS..THydrogen-bonded Turntrans-111.2-27.6-168.6-55.4-59.6000112.4P76 P108P76-D111 HydrophobicContact CB-CB 4.27Å; P76-D111 HydrophobicContact CG-CB 4.18Å; P108-D111 HydrophobicContact CB-CB 4.26Å; P108-D111 PolarHBondContact O-N 3.07Å
112L96.8Very high96.2Very high10 Ų1061.9 Ų61.95%0.05232%0.319CS..  trans-120.1144.8-176.4-63.5-173.9000112.6W69 P76 L77 K78 F107 P108W69-L112 HydrophobicContact CB-CD1 3.91Å; W69-L112 HydrophobicContact CD2-CD1 4.46Å; W69-L112 HydrophobicContact CE3-CD1 4.12Å; W69-L112 HydrophobicContact CG-CD1 4.43Å; P76-L112 HydrophobicContact CB-CD1 3.88Å; P76-L112 HydrophobicContact CB-CD2 3.9Å; P76-L112 HydrophobicContact CB-CG 3.76Å; L77-L112 WeakPolarHBondContact O-CD2 3.4Å; K78-L112 HydrophobicContact CB-CD2 4.46Å; K78-L112 HydrophobicContact CG-CD2 4.07Å; F107-L112 HydrophobicContact CE1-CB 3.82Å; F107-L112 HydrophobicContact CE2-CB 4.49Å; F107-L112 HydrophobicContact CE2-CD1 4.44Å; F107-L112 HydrophobicContact CZ-CB 3.64Å; F107-L112 HydrophobicContact CZ-CD1 4.36Å; P108-L112 HydrophobicContact CG-CB 4.25Å; P108-L112 HydrophobicContact CG-CD1 3.56Å; P108-L112 HydrophobicContact CG-CG 3.73Å; P108-L112 PolarHBondContact O-N 3.31Å
113L97Very high96.3Very high99 Ų9964.9 Ų64.952%0.51834%0.343SS..  trans-85.7142167.3-57.6178.3000108.8W79W79-L113 PolarHBondContact NE1-O 3.33Å
114H97.8Very high96.3Very high83 Ų8366.3 Ų66.338%0.38435%0.35SS..  trans-63.9147.6169.9-68.5-74.8000112.3E67 F107 E109E67-H114 IonicContact OE2-CE1 2.95Å; E67-H114 IonicContact OE2-CG 3.53Å; E67-H114 IonicContact OE2-ND1 3.24Å; E67-H114 PolarHBondContact OE2-ND1 3.2Å; F107-H114 AromaticContact CD1-CE1 3.65Å; F107-H114 AromaticContact CE1-CE1 3.73Å; F107-H114 AromaticContact CE1-ND1 3.74Å; F107-H114 AromaticContact CZ-ND1 3.92Å; E109-H114 IonicContact OE1-CE1 2.65Å; E109-H114 PolarHBondContact OE1-CE1 3.02Å; E109-H114 IonicContact OE1-NE2 2.71Å; E109-H114 PolarHBondContact OE1-NE2 3.26Å; E109-H114 IonicContact OE2-CD2 2.63Å; E109-H114 IonicContact OE2-CE1 3.54Å; E109-H114 IonicContact OE2-NE2 3.77Å; E109-H114 PolarHBondContact OE2-NE2 3.31Å
115C96.9Very high96.4Very high15 Ų1566.3 Ų66.310%0.10135%0.35CS..  trans-133.168.8177.3-172.90000110.7T46 E67 W79 S117 I121T46-C115 HydrophobicContact CG2-CB 4.09Å; T46-C115 PolarHBondContact OG1-SG 3.47Å; T46-C115 VanDerWaalsContact OG1-SG 3.39Å; E67-C115 PolarHBondContact OE1-N 3.23Å; W79-C115 HydrophobicContact CD2-CB 3.93Å; W79-C115 HydrophobicContact CG-CB 4.13Å; W79-C115 HydrophobicContact CZ2-CB 4.17Å; C115-S117 PolarHBondContact O-N 3.15Å; C115-S117 VanDerWaalsContact O-N 3.17Å; C115-I121 WeakPolarHBondContact SG-CG1 3.38Å
116P92.2Very high96.6Very high102 Ų10265 Ų6566%0.66235%0.345SS*.  trans-67.6-19.2-173.327.4-37.3000114.1V120P116-V120 HydrophobicContact CG-CG2 3.89Å
117S95.1Very high96.9Very high49 Ų4961.8 Ų61.834%0.34333%0.333SS..SBendtrans-161162-176.968.10000113.3C115 S119 V120C115-S117 PolarHBondContact O-N 3.15Å; C115-S117 VanDerWaalsContact O-N 3.17Å; S117-S119 PolarHBondContact O-N 3.08Å; S117-S119 VanDerWaalsContact O-N 3.14Å; S117-S119 PolarHBondContact OG-OG 3.27Å; S117-V120 WeakPolarHBondContact O-CB 3.39Å; S117-V120 PolarHBondContact O-N 2.8Å
118N95.6Very high97Very high59 Ų5960.8 Ų60.832%0.31633%0.329SS..Hα-helixtrans-59.4-23.8174.4-70.5-4000113.5V120 I121 E122 W154 Q158N118-V120 VanDerWaalsContact C-N 3.26Å; N118-V120 PolarHBondContact O-N 3.38Å; N118-I121 PolarHBondContact O-N 3.49Å; N118-E122 PolarHBondContact O-N 3.31Å; N118-W154 HydrophobicContact CB-CZ2 4.44Å; N118-Q158 PolarHBondContact ND2-NE2 3.2Å
119S97.1Very high97Very high73 Ų7359.9 Ų59.951%0.5132%0.323SS..Hα-helixtrans-68.4-27.1176.661.70000112.6S117 A123S117-S119 PolarHBondContact O-N 3.08Å; S117-S119 VanDerWaalsContact O-N 3.14Å; S117-S119 PolarHBondContact OG-OG 3.27Å; S119-A123 VanDerWaalsContact O-CB 3.29Å; S119-A123 WeakPolarHBondContact O-CB 3.39Å; S119-A123 PolarHBondContact O-N 2.87Å
120V97.9Very high97.2Very high48 Ų4858.6 Ų58.629%0.29132%0.316SS..Hα-helixtrans-70.2-39.7173.8-1800000110.2W79 P116 S117 N118 A123 H124W79-V120 HydrophobicContact CH2-CG1 3.88Å; W79-V120 HydrophobicContact CZ2-CG1 3.96Å; P116-V120 HydrophobicContact CG-CG2 3.89Å; S117-V120 WeakPolarHBondContact O-CB 3.39Å; S117-V120 PolarHBondContact O-N 2.8Å; N118-V120 VanDerWaalsContact C-N 3.26Å; N118-V120 PolarHBondContact O-N 3.38Å; V120-A123 PolarHBondContact O-N 2.99Å; V120-H124 WeakPolarHBondContact O-CB 3.37Å; V120-H124 PolarHBondContact O-N 2.86Å
121I98.4Very high97.4Very high0 Ų050.1 Ų50.10%029%0.286CS..Hα-helixtrans-64.7-46.8174.7-48.8176.1000110.5Y44 T46 L47 W79 C115 N118 A123 H124 F125 W154Y44-I121 HydrophobicContact CD2-CG2 3.61Å; Y44-I121 HydrophobicContact CE2-CG2 4.24Å; Y44-I121 HydrophobicContact CG-CG2 4.16Å; T46-I121 VanDerWaalsContact OG1-CD1 3.32Å; T46-I121 WeakPolarHBondContact OG1-CD1 3.46Å; L47-I121 HydrophobicContact CB-CD1 3.97Å; L47-I121 HydrophobicContact CB-CG2 4.49Å; L47-I121 HydrophobicContact CD1-CD1 4.34Å; L47-I121 HydrophobicContact CD2-CG2 4.36Å; W79-I121 HydrophobicContact CE3-CG1 4.28Å; W79-I121 HydrophobicContact CZ3-CB 4.27Å; W79-I121 HydrophobicContact CZ3-CG1 3.93Å; W79-I121 HydrophobicContact CZ3-CG2 4.33Å; C115-I121 WeakPolarHBondContact SG-CG1 3.38Å; N118-I121 PolarHBondContact O-N 3.49Å; I121-A123 VanDerWaalsContact C-N 3.34Å; I121-A123 PolarHBondContact O-N 3.07Å; I121-H124 PolarHBondContact O-N 2.85Å; I121-F125 VanDerWaalsContact O-CB 3.31Å; I121-F125 WeakPolarHBondContact O-CB 3.27Å; I121-F125 PolarHBondContact O-N 3.15Å; I121-W154 HydrophobicContact CB-CH2 3.97Å; I121-W154 HydrophobicContact CB-CZ3 4.47Å; I121-W154 HydrophobicContact CG2-CH2 3.84Å; I121-W154 HydrophobicContact CG2-CZ3 4.01Å
122E98.6Very high97.6Very high64 Ų6445.7 Ų45.730%0.29926%0.262SS..Hα-helixtrans-59.3-43.8176.1-177176.3-175.300111.5N118 F125 M126 W154N118-E122 PolarHBondContact O-N 3.31Å; E122-F125 PolarHBondContact O-N 3.45Å; E122-M126 HydrophobicContact CG-CG 4.48Å; E122-M126 WeakPolarHBondContact O-CB 3.47Å; E122-M126 WeakPolarHBondContact O-CG 3.31Å; E122-M126 PolarHBondContact O-N 3.39Å; E122-W154 HydrophobicContact CB-CD2 3.75Å; E122-W154 HydrophobicContact CB-CE3 3.98Å; E122-W154 HydrophobicContact CB-CG 4.25Å; E122-W154 HydrophobicContact CB-CH2 4.17Å; E122-W154 HydrophobicContact CB-CZ2 3.95Å; E122-W154 HydrophobicContact CB-CZ3 4.19Å; E122-W154 HydrophobicContact CG-CB 4.14Å; E122-W154 HydrophobicContact CG-CD2 3.65Å; E122-W154 HydrophobicContact CG-CE3 4.13Å; E122-W154 HydrophobicContact CG-CG 3.62Å
123A98.5Very high97.7Very high62 Ų6245.2 Ų45.251%0.51226%0.26SS..Hα-helixtrans-63.4-43.9177.700000112.1S119 V120 I121 S127S119-A123 VanDerWaalsContact O-CB 3.29Å; S119-A123 WeakPolarHBondContact O-CB 3.39Å; S119-A123 PolarHBondContact O-N 2.87Å; V120-A123 PolarHBondContact O-N 2.99Å; I121-A123 VanDerWaalsContact C-N 3.34Å; I121-A123 PolarHBondContact O-N 3.07Å; A123-S127 WeakPolarHBondContact O-CB 3.32Å; A123-S127 PolarHBondContact O-N 3.17Å
124H98.7Very high97.8Very high44 Ų4442.5 Ų42.520%0.20425%0.252CS..Hα-helixtrans-60.2-52.4174.9174.272000111.3W79 H80 V120 I121 M126 S127 S128W79-H124 HydrophobicContact CH2-CB 4.05Å; W79-H124 HydrophobicContact CZ3-CB 4.31Å; H80-H124 PolarHBondContact O-NE2 3.03Å; V120-H124 WeakPolarHBondContact O-CB 3.37Å; V120-H124 PolarHBondContact O-N 2.86Å; I121-H124 PolarHBondContact O-N 2.85Å; H124-M126 PolarHBondContact O-N 3.34Å; H124-S127 VanDerWaalsContact O-CB 3.31Å; H124-S127 WeakPolarHBondContact O-CB 3.46Å; H124-S127 PolarHBondContact O-N 2.77Å; H124-S127 VanDerWaalsContact O-N 3.08Å; H124-S128 PolarHBondContact O-N 2.71Å; H124-S128 PolarHBondContact O-OG 2.9Å
125F98.8Very high97.9Very high0 Ų039.7 Ų39.70%024%0.24CC..Hα-helixtrans-55-48.8178.6172.9-111000112.4Y44 I121 E122 S127 S128 I129 L153 W154 L157 F165 P261 D262Y44-F125 HydrophobicContact CE2-CB 4.33Å; Y44-F125 HydrophobicContact CE2-CD2 4.28Å; I121-F125 VanDerWaalsContact O-CB 3.31Å; I121-F125 WeakPolarHBondContact O-CB 3.27Å; I121-F125 PolarHBondContact O-N 3.15Å; E122-F125 PolarHBondContact O-N 3.45Å; F125-S127 VanDerWaalsContact C-N 3.32Å; F125-S127 PolarHBondContact O-N 3.49Å; F125-S128 PolarHBondContact O-N 3.18Å; F125-I129 HydrophobicContact CD1-CD1 4.28Å; F125-I129 HydrophobicContact CD2-CD1 4.49Å; F125-I129 HydrophobicContact CE1-CD1 3.59Å; F125-I129 HydrophobicContact CE2-CD1 3.82Å; F125-I129 HydrophobicContact CE2-CG1 4.32Å; F125-I129 HydrophobicContact CZ-CD1 3.36Å; F125-I129 HydrophobicContact CZ-CG1 4.32Å; F125-I129 PolarHBondContact O-N 3.09Å; F125-L153 HydrophobicContact CE1-CB 4.27Å; F125-W154 HydrophobicContact CB-CE3 4.47Å; F125-W154 HydrophobicContact CB-CZ3 4.48Å; F125-W154 AromaticContact CD1-CE3 3.92Å; F125-W154 HydrophobicContact CD1-CE3 3.92Å; F125-W154 HydrophobicContact CG-CE3 4.38Å; F125-L157 HydrophobicContact CD1-CD2 4.47Å; F125-L157 HydrophobicContact CD2-CD2 3.68Å; F125-L157 HydrophobicContact CE1-CD2 4.42Å; F125-L157 HydrophobicContact CE2-CD2 3.63Å; F125-L157 HydrophobicContact CG-CD2 4.09Å; F125-L157 HydrophobicContact CZ-CB 4.41Å; F125-L157 HydrophobicContact CZ-CD2 3.98Å; F125-F165 AromaticContact CZ-CE2 3.98Å; F125-F165 HydrophobicContact CZ-CE2 3.98Å; F125-P261 HydrophobicContact CE2-CB 3.94Å; F125-P261 WeakPolarHBondContact CE2-O 3.37Å; F125-P261 HydrophobicContact CZ-CB 4.39Å; F125-D262 HydrophobicContact CD2-CB 4.27Å; F125-D262 HydrophobicContact CE2-CB 4.4Å
126M98.6Very high97.9Very high18 Ų1839.1 Ų39.19%0.08924%0.235CC..Hα-helixtrans-68.6-30.2178.3-71.1-55.2-50.300112.9E122 H124 I129 K130 I142 H150E122-M126 HydrophobicContact CG-CG 4.48Å; E122-M126 WeakPolarHBondContact O-CB 3.47Å; E122-M126 WeakPolarHBondContact O-CG 3.31Å; E122-M126 PolarHBondContact O-N 3.39Å; H124-M126 PolarHBondContact O-N 3.34Å; M126-I129 HydrophobicContact SD-CD1 4.49Å; M126-K130 WeakPolarHBondContact O-CB 3.35Å; M126-K130 VanDerWaalsContact O-CG 3.25Å; M126-K130 WeakPolarHBondContact O-CG 3.34Å; M126-K130 PolarHBondContact O-N 3.48Å; M126-K130 VanDerWaalsContact O-N 3.11Å; M126-I142 HydrophobicContact CE-CD1 4.34Å; M126-H150 HydrophobicContact CE-CB 3.77Å; M126-H150 HydrophobicContact SD-CB 4.36Å
127S98.7Very high98.2Very high71 Ų7135.1 Ų35.150%0.49721%0.208SC..Hα-helixtrans-63.5-45172.2-170.30000110.8A123 H124 F125 K130 E131A123-S127 WeakPolarHBondContact O-CB 3.32Å; A123-S127 PolarHBondContact O-N 3.17Å; H124-S127 VanDerWaalsContact O-CB 3.31Å; H124-S127 WeakPolarHBondContact O-CB 3.46Å; H124-S127 PolarHBondContact O-N 2.77Å; H124-S127 VanDerWaalsContact O-N 3.08Å; F125-S127 VanDerWaalsContact C-N 3.32Å; F125-S127 PolarHBondContact O-N 3.49Å; S127-K130 PolarHBondContact O-N 3.16Å; S127-E131 WeakPolarHBondContact O-CB 3.47Å; S127-E131 PolarHBondContact O-N 2.74Å
128S98.6Very high98.3Very high3 Ų338.8 Ų38.82%0.02122%0.218CC..Hα-helixtrans-64.7-43.7178-60.70000112.3H124 F125 K130 E131 A132 D262 F264H124-S128 PolarHBondContact O-N 2.71Å; H124-S128 PolarHBondContact O-OG 2.9Å; F125-S128 PolarHBondContact O-N 3.18Å; S128-K130 VanDerWaalsContact C-N 3.32Å; S128-K130 PolarHBondContact O-N 3.09Å; S128-E131 PolarHBondContact O-N 3.21Å; S128-A132 WeakPolarHBondContact O-CB 3.46Å; S128-A132 PolarHBondContact O-N 3.3Å; S128-D262 CarbonylContact C-O 3.6Å; S128-F264 WeakPolarHBondContact O-CE2 3.42Å
129I98.7Very high98.5Very high0 Ų037.3 Ų37.30%021%0.212CC..Hα-helixtrans-59-43.6174.9-72.4-176.7000111.6F125 M126 E131 A132 D133 I142 L153 L172F125-I129 HydrophobicContact CD1-CD1 4.28Å; F125-I129 HydrophobicContact CD2-CD1 4.49Å; F125-I129 HydrophobicContact CE1-CD1 3.59Å; F125-I129 HydrophobicContact CE2-CD1 3.82Å; F125-I129 HydrophobicContact CE2-CG1 4.32Å; F125-I129 HydrophobicContact CZ-CD1 3.36Å; F125-I129 HydrophobicContact CZ-CG1 4.32Å; F125-I129 PolarHBondContact O-N 3.09Å; M126-I129 HydrophobicContact SD-CD1 4.49Å; I129-E131 VanDerWaalsContact C-N 3.35Å; I129-A132 PolarHBondContact O-N 3.25Å; I129-D133 WeakPolarHBondContact O-CB 3.48Å; I129-D133 PolarHBondContact O-N 3.04Å; I129-I142 HydrophobicContact CG2-CD1 3.72Å; I129-I142 HydrophobicContact CG2-CG1 4.17Å; I129-L153 HydrophobicContact CD1-CD1 4.19Å; I129-L172 HydrophobicContact CG2-CD1 3.82Å
130K98.8Very high98.5Very high96 Ų9639.7 Ų39.742%0.41722%0.215SC..Hα-helixtrans-64.9-39.2178.8-74.5171.5-179.3179.40112.3M126 S127 S128 D133 A134 I142M126-K130 WeakPolarHBondContact O-CB 3.35Å; M126-K130 VanDerWaalsContact O-CG 3.25Å; M126-K130 WeakPolarHBondContact O-CG 3.34Å; M126-K130 PolarHBondContact O-N 3.48Å; M126-K130 VanDerWaalsContact O-N 3.11Å; S127-K130 PolarHBondContact O-N 3.16Å; S128-K130 VanDerWaalsContact C-N 3.32Å; S128-K130 PolarHBondContact O-N 3.09Å; K130-D133 PolarHBondContact O-N 3.14Å; K130-A134 WeakPolarHBondContact O-CB 3.29Å; K130-A134 PolarHBondContact O-N 2.9Å; K130-I142 HydrophobicContact CG-CG1 4.02Å; K130-I142 HydrophobicContact CG-CG2 4.26Å
131E98.8Very high98.5Very high63 Ų6339.1 Ų39.129%0.29421%0.211SC..Hα-helixtrans-63.8-46.4174.7-171.9-171159.100111.1S127 S128 I129 D133 A134 L135 R188 Q200 F264S127-E131 WeakPolarHBondContact O-CB 3.47Å; S127-E131 PolarHBondContact O-N 2.74Å; S128-E131 PolarHBondContact O-N 3.21Å; I129-E131 VanDerWaalsContact C-N 3.35Å; E131-D133 VanDerWaalsContact C-N 3.34Å; E131-D133 PolarHBondContact O-N 2.9Å; E131-A134 VanDerWaalsContact O-CB 3.3Å; E131-A134 WeakPolarHBondContact O-CB 3.45Å; E131-A134 PolarHBondContact O-N 2.91Å; E131-A134 VanDerWaalsContact O-N 3.17Å; E131-L135 PolarHBondContact O-N 2.78Å; E131-L135 VanDerWaalsContact O-N 3.15Å; E131-R188 VanDerWaalsContact CD-NH2 3.27Å; E131-R188 IonicContact OE1-NH2 3.56Å; E131-R188 PolarHBondContact OE1-NH2 3.18Å; E131-R188 IonicContact OE2-NH2 3.92Å; E131-R188 PolarHBondContact OE2-NH2 2.88Å; E131-Q200 PolarHBondContact OE1-NE2 3.03Å; E131-Q200 PolarHBondContact OE1-OE1 2.6Å; E131-F264 HydrophobicContact CB-CE2 4.18Å; E131-F264 HydrophobicContact CB-CZ 4.25Å; E131-F264 HydrophobicContact CG-CE2 4.32Å; E131-F264 HydrophobicContact CG-CZ 3.88Å
132A98.8Very high98.5Very high0 Ų039.1 Ų39.10%021%0.211CC..Hα-helixtrans-60.2-43.5175.900000111.6S128 I129 A134 L135 K136 P186 N263 F264S128-A132 WeakPolarHBondContact O-CB 3.46Å; S128-A132 PolarHBondContact O-N 3.3Å; I129-A132 PolarHBondContact O-N 3.25Å; A132-A134 VanDerWaalsContact C-N 3.32Å; A132-A134 PolarHBondContact O-N 3.42Å; A132-L135 WeakPolarHBondContact O-CB 3.19Å; A132-L135 PolarHBondContact O-N 3.38Å; A132-K136 WeakPolarHBondContact O-CG 3.49Å; A132-K136 PolarHBondContact O-N 2.63Å; A132-P186 HydrophobicContact CB-CB 3.82Å; A132-P186 HydrophobicContact CB-CG 3.84Å; A132-N263 HydrophobicContact CB-CB 3.52Å; A132-F264 HydrophobicContact CB-CD2 3.97Å; A132-F264 HydrophobicContact CB-CE2 3.76Å; A132-F264 HydrophobicContact CB-CZ 4.45Å
133D98.8Very high98.5Very high0 Ų041.3 Ų41.30%023%0.225CC..Hα-helixtrans-69.6-28.4177.1-160.662.3000112.9I129 K130 E131 L135 K136 H137 K138 S139 V141 I142 L172I129-D133 WeakPolarHBondContact O-CB 3.48Å; I129-D133 PolarHBondContact O-N 3.04Å; K130-D133 PolarHBondContact O-N 3.14Å; E131-D133 VanDerWaalsContact C-N 3.34Å; E131-D133 PolarHBondContact O-N 2.9Å; D133-L135 VanDerWaalsContact C-N 3.29Å; D133-L135 PolarHBondContact O-N 2.65Å; D133-K136 PolarHBondContact O-N 3.09Å; D133-H137 CarbonylContact O-C 3.44Å; D133-H137 WeakPolarHBondContact O-CA 3.44Å; D133-H137 PolarHBondContact O-N 3.5Å; D133-H137 IonicContact OD1-CE1 3.02Å; D133-H137 IonicContact OD1-CG 3.28Å; D133-H137 IonicContact OD1-ND1 3.74Å; D133-H137 PolarHBondContact OD1-ND1 2.82Å; D133-K138 PolarHBondContact O-N 3.26Å; D133-K138 VanDerWaalsContact O-N 3.15Å; D133-S139 PolarHBondContact O-N 3.01Å; D133-S139 WeakPolarHBondContact OD2-CA 3.42Å; D133-V141 PolarHBondContact OD2-N 3.36Å; D133-I142 HydrophobicContact CB-CB 3.94Å; D133-I142 HydrophobicContact CB-CG2 3.78Å; D133-I142 WeakPolarHBondContact OD2-CB 3.41Å; D133-I142 VanDerWaalsContact OD2-CG2 3.26Å; D133-I142 WeakPolarHBondContact OD2-CG2 3.22Å; D133-I142 PolarHBondContact OD2-N 3.11Å; D133-L172 HydrophobicContact CB-CD2 4.3Å; D133-L172 WeakPolarHBondContact OD1-CD2 3.25Å
134A98.8Very high98.4Very high42 Ų4245 Ų4535%0.34724%0.236SC..Hα-helixtrans-60.8-41.1170.100000111.5K130 E131 A132 K138 S139K130-A134 WeakPolarHBondContact O-CB 3.29Å; K130-A134 PolarHBondContact O-N 2.9Å; E131-A134 VanDerWaalsContact O-CB 3.3Å; E131-A134 WeakPolarHBondContact O-CB 3.45Å; E131-A134 PolarHBondContact O-N 2.91Å; E131-A134 VanDerWaalsContact O-N 3.17Å; A132-A134 VanDerWaalsContact C-N 3.32Å; A132-A134 PolarHBondContact O-N 3.42Å; A134-K138 VanDerWaalsContact O-CA 3.3Å; A134-K138 WeakPolarHBondContact O-CA 3.39Å; A134-K138 PolarHBondContact O-N 2.87Å; A134-K138 VanDerWaalsContact O-N 3.15Å; A134-S139 VanDerWaalsContact CA-OG 3.3Å; A134-S139 WeakPolarHBondContact CA-OG 3.36Å; A134-S139 VanDerWaalsContact CB-OG 3.28Å; A134-S139 WeakPolarHBondContact CB-OG 3.2Å
135L98.6Very high98.4Very high25 Ų2543.6 Ų43.613%0.13123%0.23CC..Hα-helixtrans-70.2-46.8176.6-64.9173.9000111.7E131 A132 D133 Y184 P186 L202 F264E131-L135 PolarHBondContact O-N 2.78Å; E131-L135 VanDerWaalsContact O-N 3.15Å; A132-L135 WeakPolarHBondContact O-CB 3.19Å; A132-L135 PolarHBondContact O-N 3.38Å; D133-L135 VanDerWaalsContact C-N 3.29Å; D133-L135 PolarHBondContact O-N 2.65Å; L135-Y184 PolarHBondContact O-N 3.23Å; L135-P186 HydrophobicContact CB-CG 4.27Å; L135-P186 HydrophobicContact CD1-CB 3.98Å; L135-P186 HydrophobicContact CD1-CG 4.44Å; L135-L202 HydrophobicContact CD2-CD2 3.66Å; L135-F264 HydrophobicContact CD1-CE1 4.31Å; L135-F264 HydrophobicContact CD1-CZ 4.3Å
136K98.4Very high98.4Very high2 Ų248.9 Ų48.91%0.00926%0.255CS..Hα-helixtrans-73.3-47.4-176.2-65.7-173.4-72.1-1780113.4A132 D133 L172 M173 F182 R183 P186 N263A132-K136 WeakPolarHBondContact O-CG 3.49Å; A132-K136 PolarHBondContact O-N 2.63Å; D133-K136 PolarHBondContact O-N 3.09Å; K136-L172 WeakPolarHBondContact CE-O 3.21Å; K136-L172 PolarHBondContact NZ-O 2.78Å; K136-M173 PolarHBondContact NZ-SD 2.66Å; K136-M173 VanDerWaalsContact NZ-SD 3.37Å; K136-F182 HydrophobicContact CB-CB 4.07Å; K136-F182 HydrophobicContact CB-CD1 3.97Å; K136-F182 HydrophobicContact CB-CG 4.01Å; K136-F182 HydrophobicContact CD-CD1 3.79Å; K136-F182 HydrophobicContact CD-CD2 3.61Å; K136-F182 HydrophobicContact CD-CE1 3.8Å; K136-F182 HydrophobicContact CD-CE2 3.63Å; K136-F182 HydrophobicContact CD-CG 3.71Å; K136-F182 HydrophobicContact CD-CZ 3.76Å; K136-F182 HydrophobicContact CG-CB 3.94Å; K136-F182 HydrophobicContact CG-CD1 4Å; K136-F182 HydrophobicContact CG-CD2 3.88Å; K136-F182 HydrophobicContact CG-CE2 4.42Å; K136-F182 HydrophobicContact CG-CG 3.67Å; K136-R183 WeakPolarHBondContact O-CB 3.04Å; K136-R183 PolarHBondContact O-N 3.42Å; K136-R183 VanDerWaalsContact O-N 3.08Å; K136-P186 HydrophobicContact CD-CG 3.89Å; K136-P186 HydrophobicContact CG-CG 3.56Å; K136-N263 PolarHBondContact NZ-OD1 3.19Å
137H98.1Very high98.3Very high19 Ų1956.8 Ų56.89%0.08829%0.289CS..Hα-helixtrans-135.416-165.4-47116.6000113.9D133 S139 Q140 V141 L172 E174 F182D133-H137 CarbonylContact O-C 3.44Å; D133-H137 WeakPolarHBondContact O-CA 3.44Å; D133-H137 PolarHBondContact O-N 3.5Å; D133-H137 IonicContact OD1-CE1 3.02Å; D133-H137 IonicContact OD1-CG 3.28Å; D133-H137 IonicContact OD1-ND1 3.74Å; D133-H137 PolarHBondContact OD1-ND1 2.82Å; H137-S139 PolarHBondContact O-N 3.02Å; H137-Q140 WeakPolarHBondContact O-CB 3.32Å; H137-Q140 VanDerWaalsContact O-CG 3.26Å; H137-Q140 WeakPolarHBondContact O-CG 3.39Å; H137-Q140 PolarHBondContact O-N 2.9Å; H137-Q140 VanDerWaalsContact O-N 3.09Å; H137-V141 HydrophobicContact CB-CG2 3.88Å; H137-L172 PolarHBondContact CE1-O 3.31Å; H137-L172 VanDerWaalsContact CE1-O 3.31Å; H137-E174 PolarHBondContact NE2-O 2.88Å; H137-E174 VanDerWaalsContact NE2-O 3.15Å; H137-F182 AromaticContact CE1-CD1 3.99Å; H137-F182 AromaticContact CE1-CE1 3.98Å; H137-F182 AromaticContact NE2-CD1 3.4Å; H137-F182 WeakPolarHBondContact NE2-CD1 3.33Å; H137-F182 AromaticContact NE2-CE1 3.69Å
138K97.9Very high98.2Very high125 Ų12559.7 Ų59.754%0.54329%0.293SS..THydrogen-bonded Turntrans57.132.4-174.5-42.2-179.1-166.9168.40112.6D133 A134 Q140D133-K138 PolarHBondContact O-N 3.26Å; D133-K138 VanDerWaalsContact O-N 3.15Å; A134-K138 VanDerWaalsContact O-CA 3.3Å; A134-K138 WeakPolarHBondContact O-CA 3.39Å; A134-K138 PolarHBondContact O-N 2.87Å; A134-K138 VanDerWaalsContact O-N 3.15Å; K138-Q140 PolarHBondContact O-N 3.37Å
139S98.1Very high98.2Very high29 Ų2960.2 Ų60.220%0.20330%0.295CS..THydrogen-bonded Turntrans66.112-177.4-50.50000114.8D133 A134 H137 N143D133-S139 PolarHBondContact O-N 3.01Å; D133-S139 WeakPolarHBondContact OD2-CA 3.42Å; A134-S139 VanDerWaalsContact CA-OG 3.3Å; A134-S139 WeakPolarHBondContact CA-OG 3.36Å; A134-S139 VanDerWaalsContact CB-OG 3.28Å; A134-S139 WeakPolarHBondContact CB-OG 3.2Å; H137-S139 PolarHBondContact O-N 3.02Å; S139-N143 WeakPolarHBondContact O-CB 3.05Å; S139-N143 PolarHBondContact O-N 2.88Å; S139-N143 PolarHBondContact O-ND2 2.9Å
140Q97.9Very high98.2Very high123 Ų12362.1 Ų62.158%0.57530%0.304SS*.Hα-helixtrans-63.9-50.5-177.2-71.2178-23.800111.4H137 K138 I142 N143 D144H137-Q140 WeakPolarHBondContact O-CB 3.32Å; H137-Q140 VanDerWaalsContact O-CG 3.26Å; H137-Q140 WeakPolarHBondContact O-CG 3.39Å; H137-Q140 PolarHBondContact O-N 2.9Å; H137-Q140 VanDerWaalsContact O-N 3.09Å; K138-Q140 PolarHBondContact O-N 3.37Å; Q140-I142 PolarHBondContact O-N 3.41Å; Q140-N143 PolarHBondContact O-N 3.44Å; Q140-D144 WeakPolarHBondContact O-CB 3.44Å; Q140-D144 VanDerWaalsContact O-CG 3.27Å; Q140-D144 PolarHBondContact O-N 3.3Å
141V98.1Very high98.2Very high35 Ų3563.7 Ų63.721%0.21231%0.311CS..Hα-helixtrans-65.4-46.6-174.1-177.10000111.1D133 H137 N143 D144 M145 K171 L172D133-V141 PolarHBondContact OD2-N 3.36Å; H137-V141 HydrophobicContact CB-CG2 3.88Å; V141-N143 VanDerWaalsContact C-N 3.31Å; V141-N143 PolarHBondContact O-N 3.22Å; V141-D144 PolarHBondContact O-N 2.84Å; V141-M145 HydrophobicContact CG1-CE 3.97Å; V141-M145 WeakPolarHBondContact O-CG 3.46Å; V141-M145 PolarHBondContact O-N 2.95Å; V141-K171 HydrophobicContact CG1-CB 4.22Å; V141-K171 WeakPolarHBondContact CG1-O 3.4Å; V141-L172 HydrophobicContact CB-CD2 4.17Å; V141-L172 HydrophobicContact CG1-CD2 3.86Å
142I98.1Very high98.2Very high0 Ų063.2 Ų63.20%031%0.308CS..Hα-helixtrans-68.1-30.5-179-165.459.1000112.8M126 I129 K130 D133 Q140 M145 H150 L153 L172M126-I142 HydrophobicContact CE-CD1 4.34Å; I129-I142 HydrophobicContact CG2-CD1 3.72Å; I129-I142 HydrophobicContact CG2-CG1 4.17Å; K130-I142 HydrophobicContact CG-CG1 4.02Å; K130-I142 HydrophobicContact CG-CG2 4.26Å; D133-I142 HydrophobicContact CB-CB 3.94Å; D133-I142 HydrophobicContact CB-CG2 3.78Å; D133-I142 WeakPolarHBondContact OD2-CB 3.41Å; D133-I142 VanDerWaalsContact OD2-CG2 3.26Å; D133-I142 WeakPolarHBondContact OD2-CG2 3.22Å; D133-I142 PolarHBondContact OD2-N 3.11Å; Q140-I142 PolarHBondContact O-N 3.41Å; I142-M145 HydrophobicContact CD1-SD 3.96Å; I142-H150 PolarHBondContact O-NE2 3.49Å; I142-L153 HydrophobicContact CD1-CD1 4.48Å; I142-L172 HydrophobicContact CB-CD2 4.15Å; I142-L172 HydrophobicContact CD1-CD1 4.49Å; I142-L172 HydrophobicContact CD1-CD2 4.24Å
143N97.9Very high98.2Very high111 Ų11163.2 Ų63.259%0.59431%0.308SS*.Hα-helixtrans-78.3-27.7178.6-72.6-22.6000112.5S139 Q140 V141 M145S139-N143 WeakPolarHBondContact O-CB 3.05Å; S139-N143 PolarHBondContact O-N 2.88Å; S139-N143 PolarHBondContact O-ND2 2.9Å; Q140-N143 PolarHBondContact O-N 3.44Å; V141-N143 VanDerWaalsContact C-N 3.31Å; V141-N143 PolarHBondContact O-N 3.22Å; N143-M145 VanDerWaalsContact C-N 3.28Å
144D97.9Very high98.2Very high139 Ų13963.6 Ų63.674%0.74331%0.31SS*.Hα-helixtrans-76.9-16.3174.1-71.3-14000112.6Q140 V141Q140-D144 WeakPolarHBondContact O-CB 3.44Å; Q140-D144 VanDerWaalsContact O-CG 3.27Å; Q140-D144 PolarHBondContact O-N 3.3Å; V141-D144 PolarHBondContact O-N 2.84Å
145M98Very high98.2Very high15 Ų1564.5 Ų64.57%0.07431%0.307CS..SBendtrans-70.5145.5174.2-71.4-169.7-169.800112.7V141 I142 N143 D149 L153 K171 L172V141-M145 HydrophobicContact CG1-CE 3.97Å; V141-M145 WeakPolarHBondContact O-CG 3.46Å; V141-M145 PolarHBondContact O-N 2.95Å; I142-M145 HydrophobicContact CD1-SD 3.96Å; N143-M145 VanDerWaalsContact C-N 3.28Å; M145-D149 HydrophobicContact CB-CB 4.1Å; M145-D149 HydrophobicContact CG-CB 4.44Å; M145-D149 HydrophobicContact SD-CB 4.35Å; M145-L153 HydrophobicContact SD-CD1 4.42Å; M145-K171 HydrophobicContact CE-CB 3.74Å; M145-K171 HydrophobicContact CE-CD 4.06Å; M145-L172 HydrophobicContact CE-CD1 4.2Å; M145-L172 HydrophobicContact CE-CD2 3.76Å; M145-L172 HydrophobicContact CE-CG 3.59Å
146Q97.9Very high98.2Very high110 Ų11063.3 Ų63.351%0.51430%0.301SS..  trans-79.3156.9175.5-62.7-179.511.100111K148 D149 H150Q146-K148 HydrophobicContact CB-CD 4.5Å; Q146-K148 HydrophobicContact CB-CG 4.06Å; Q146-K148 PolarHBondContact O-N 2.83Å; Q146-D149 PolarHBondContact N-OD2 3.46Å; Q146-D149 WeakPolarHBondContact O-CA 3.44Å; Q146-D149 VanDerWaalsContact O-CB 3.28Å; Q146-D149 WeakPolarHBondContact O-CB 3.41Å; Q146-D149 PolarHBondContact O-N 3.4Å; Q146-H150 PolarHBondContact O-N 3.4Å
147K97.2Very high98.2Very high185 Ų18563.5 Ų63.580%0.80430%0.303SS*.Hα-helixtrans-53.9-31.7176.1-172175.4-176.9177.60113.6D149 K151K147-D149 VanDerWaalsContact C-N 3.3Å; K147-K151 PolarHBondContact O-N 2.95Å
148K97.8Very high98.2Very high132 Ų13265.7 Ų65.757%0.57431%0.313SS*.Hα-helixtrans-67.1-32.2175.675.9-170.6-173.5-163.80112.4Q146 K151 Q152Q146-K148 HydrophobicContact CB-CD 4.5Å; Q146-K148 HydrophobicContact CB-CG 4.06Å; Q146-K148 PolarHBondContact O-N 2.83Å; K148-K151 PolarHBondContact O-N 3Å; K148-Q152 WeakPolarHBondContact O-CB 3.5Å; K148-Q152 PolarHBondContact O-N 2.83Å
149D98.3Very high98.2Very high14 Ų1463.2 Ų63.28%0.07531%0.305CS..Hα-helixtrans-73.5-41.6179.8-53.9-22.8000109.3M145 Q146 K147 K151 Q152 L153 M168M145-D149 HydrophobicContact CB-CB 4.1Å; M145-D149 HydrophobicContact CG-CB 4.44Å; M145-D149 HydrophobicContact SD-CB 4.35Å; Q146-D149 PolarHBondContact N-OD2 3.46Å; Q146-D149 WeakPolarHBondContact O-CA 3.44Å; Q146-D149 VanDerWaalsContact O-CB 3.28Å; Q146-D149 WeakPolarHBondContact O-CB 3.41Å; Q146-D149 PolarHBondContact O-N 3.4Å; K147-D149 VanDerWaalsContact C-N 3.3Å; D149-K151 VanDerWaalsContact C-N 3.35Å; D149-K151 PolarHBondContact O-N 3.39Å; D149-Q152 WeakPolarHBondContact O-CB 3.26Å; D149-Q152 PolarHBondContact O-N 3.03Å; D149-Q152 VanDerWaalsContact O-N 3.11Å; D149-L153 PolarHBondContact O-N 2.94Å; D149-M168 HydrophobicContact CB-CG 4.21Å; D149-M168 HydrophobicContact CB-SD 3.76Å
150H98.4Very high98.2Very high40 Ų4065 Ų6519%0.18531%0.313CS..Hα-helixtrans-58.3-46.4170.6-61.8173.2000111.4M126 I142 Q146 Q152 L153 W154M126-H150 HydrophobicContact CE-CB 3.77Å; M126-H150 HydrophobicContact SD-CB 4.36Å; I142-H150 PolarHBondContact O-NE2 3.49Å; Q146-H150 PolarHBondContact O-N 3.4Å; H150-Q152 VanDerWaalsContact C-N 3.26Å; H150-Q152 PolarHBondContact O-N 2.79Å; H150-L153 WeakPolarHBondContact O-CB 3.4Å; H150-L153 PolarHBondContact O-N 3.06Å; H150-W154 PolarHBondContact O-N 3.04Å; H150-W154 VanDerWaalsContact O-N 3.16Å
151K98.2Very high98.2Very high129 Ų12964.7 Ų64.756%0.56131%0.31SS*.Hα-helixtrans-62.6-34.2175.6-171.7172.9-177177.30112K147 K148 D149 W154 M155K147-K151 PolarHBondContact O-N 2.95Å; K148-K151 PolarHBondContact O-N 3Å; D149-K151 VanDerWaalsContact C-N 3.35Å; D149-K151 PolarHBondContact O-N 3.39Å; K151-W154 PolarHBondContact O-N 2.89Å; K151-M155 HydrophobicContact CG-CG 4.12Å; K151-M155 VanDerWaalsContact O-CB 3.32Å; K151-M155 WeakPolarHBondContact O-CB 3.29Å; K151-M155 WeakPolarHBondContact O-CG 3.43Å; K151-M155 PolarHBondContact O-N 2.99Å
152Q98.6Very high98.3Very high52 Ų5263.4 Ų63.424%0.24330%0.301CS..Hα-helixtrans-68.2-39.3177.2-177.2173.7-26.300112.2K148 D149 H150 G156 Q164 M168K148-Q152 WeakPolarHBondContact O-CB 3.5Å; K148-Q152 PolarHBondContact O-N 2.83Å; D149-Q152 WeakPolarHBondContact O-CB 3.26Å; D149-Q152 PolarHBondContact O-N 3.03Å; D149-Q152 VanDerWaalsContact O-N 3.11Å; H150-Q152 VanDerWaalsContact C-N 3.26Å; H150-Q152 PolarHBondContact O-N 2.79Å; Q152-G156 PolarHBondContact O-N 2.79Å; Q152-Q164 HydrophobicContact CG-CG 3.63Å; Q152-Q164 WeakPolarHBondContact CG-O 3.44Å; Q152-Q164 PolarHBondContact NE2-O 3.44Å; Q152-M168 HydrophobicContact CB-CG 4.09Å; Q152-M168 HydrophobicContact CG-CG 4.01Å
153L98.7Very high98.3Very high0 Ų068.3 Ų68.30%033%0.327CS..Hα-helixtrans-57.7-52.1171.7-69.6166.3000110.5F125 I129 I142 M145 D149 H150 G156 L157 F165 M168 N169 L172F125-L153 HydrophobicContact CE1-CB 4.27Å; I129-L153 HydrophobicContact CD1-CD1 4.19Å; I142-L153 HydrophobicContact CD1-CD1 4.48Å; M145-L153 HydrophobicContact SD-CD1 4.42Å; D149-L153 PolarHBondContact O-N 2.94Å; H150-L153 WeakPolarHBondContact O-CB 3.4Å; H150-L153 PolarHBondContact O-N 3.06Å; L153-G156 PolarHBondContact O-N 3.14Å; L153-L157 PolarHBondContact O-N 3.02Å; L153-L157 VanDerWaalsContact O-N 3.12Å; L153-F165 HydrophobicContact CB-CD2 4.41Å; L153-F165 HydrophobicContact CB-CE2 4.33Å; L153-F165 HydrophobicContact CD2-CD2 3.88Å; L153-F165 HydrophobicContact CD2-CE2 3.64Å; L153-F165 HydrophobicContact CD2-CZ 4.3Å; L153-F165 WeakPolarHBondContact O-CD2 3.36Å; L153-M168 HydrophobicContact CD2-CB 3.69Å; L153-M168 HydrophobicContact CG-CB 3.9Å; L153-N169 HydrophobicContact CD2-CB 3.96Å; L153-L172 HydrophobicContact CD1-CD1 4.22Å
154W98.7Very high98.3Very high9 Ų966.2 Ų66.23%0.03431%0.314CS..Hα-helixtrans-59.4-50.5178.4169.4-116.7000112.9L47 N118 I121 E122 F125 H150 K151 G156 L157 Q158L47-W154 HydrophobicContact CD1-CH2 3.71Å; L47-W154 HydrophobicContact CD1-CZ2 4.09Å; L47-W154 HydrophobicContact CD2-CH2 3.74Å; L47-W154 HydrophobicContact CD2-CZ3 3.98Å; L47-W154 HydrophobicContact CG-CH2 4.4Å; N118-W154 HydrophobicContact CB-CZ2 4.44Å; I121-W154 HydrophobicContact CB-CH2 3.97Å; I121-W154 HydrophobicContact CB-CZ3 4.47Å; I121-W154 HydrophobicContact CG2-CH2 3.84Å; I121-W154 HydrophobicContact CG2-CZ3 4.01Å; E122-W154 HydrophobicContact CB-CD2 3.75Å; E122-W154 HydrophobicContact CB-CE3 3.98Å; E122-W154 HydrophobicContact CB-CG 4.25Å; E122-W154 HydrophobicContact CB-CH2 4.17Å; E122-W154 HydrophobicContact CB-CZ2 3.95Å; E122-W154 HydrophobicContact CB-CZ3 4.19Å; E122-W154 HydrophobicContact CG-CB 4.14Å; E122-W154 HydrophobicContact CG-CD2 3.65Å; E122-W154 HydrophobicContact CG-CE3 4.13Å; E122-W154 HydrophobicContact CG-CG 3.62Å; F125-W154 HydrophobicContact CB-CE3 4.47Å; F125-W154 HydrophobicContact CB-CZ3 4.48Å; F125-W154 AromaticContact CD1-CE3 3.92Å; F125-W154 HydrophobicContact CD1-CE3 3.92Å; F125-W154 HydrophobicContact CG-CE3 4.38Å; H150-W154 PolarHBondContact O-N 3.04Å; H150-W154 VanDerWaalsContact O-N 3.16Å; K151-W154 PolarHBondContact O-N 2.89Å; W154-G156 PolarHBondContact O-N 3.27Å; W154-L157 HydrophobicContact CE3-CD2 4.45Å; W154-L157 HydrophobicContact CZ3-CD2 4.29Å; W154-L157 PolarHBondContact O-N 3.28Å; W154-L157 VanDerWaalsContact O-N 3.15Å; W154-Q158 HydrophobicContact CZ2-CB 4.21Å; W154-Q158 HydrophobicContact CZ2-CG 4.39Å; W154-Q158 WeakPolarHBondContact O-CB 3.31Å; W154-Q158 PolarHBondContact O-N 3.12Å
155M98.5Very high98.3Very high60 Ų6059.6 Ų59.630%0.29628%0.279SS..Hα-helixtrans-63.6-32.1179.6-71.5-66-69.200112.2K151 N159K151-M155 HydrophobicContact CG-CG 4.12Å; K151-M155 VanDerWaalsContact O-CB 3.32Å; K151-M155 WeakPolarHBondContact O-CB 3.29Å; K151-M155 WeakPolarHBondContact O-CG 3.43Å; K151-M155 PolarHBondContact O-N 2.99Å; M155-N159 WeakPolarHBondContact CE-ND2 3.23Å; M155-N159 WeakPolarHBondContact O-CB 3.49Å; M155-N159 PolarHBondContact O-N 3.36Å; M155-N159 VanDerWaalsContact O-N 3.1Å; M155-N159 PolarHBondContact O-ND2 2.97Å
156G98.7Very high98.3Very high0 Ų060.7 Ų60.70%028%0.282CS..Hα-helixtrans-61.2-47.717300000111.9W12 Q152 L153 W154 D160 K161W12-G156 WeakPolarHBondContact CZ2-O 3.15Å; Q152-G156 PolarHBondContact O-N 2.79Å; L153-G156 PolarHBondContact O-N 3.14Å; W154-G156 PolarHBondContact O-N 3.27Å; G156-D160 PolarHBondContact O-N 2.73Å; G156-K161 PolarHBondContact O-N 2.92Å
157L98.6Very high98.3Very high7 Ų756.9 Ų56.94%0.03727%0.269CS..Hα-helixtrans-64.7-53.9175.3178.464.3000112Y44 L47 F125 L153 W154 N159 D160 P261Y44-L157 HydrophobicContact CD2-CD2 4.4Å; Y44-L157 HydrophobicContact CE2-CD2 3.97Å; L47-L157 HydrophobicContact CD2-CG 4.42Å; F125-L157 HydrophobicContact CD1-CD2 4.47Å; F125-L157 HydrophobicContact CD2-CD2 3.68Å; F125-L157 HydrophobicContact CE1-CD2 4.42Å; F125-L157 HydrophobicContact CE2-CD2 3.63Å; F125-L157 HydrophobicContact CG-CD2 4.09Å; F125-L157 HydrophobicContact CZ-CB 4.41Å; F125-L157 HydrophobicContact CZ-CD2 3.98Å; L153-L157 PolarHBondContact O-N 3.02Å; L153-L157 VanDerWaalsContact O-N 3.12Å; W154-L157 HydrophobicContact CE3-CD2 4.45Å; W154-L157 HydrophobicContact CZ3-CD2 4.29Å; W154-L157 PolarHBondContact O-N 3.28Å; W154-L157 VanDerWaalsContact O-N 3.15Å; L157-N159 VanDerWaalsContact C-N 3.26Å; L157-N159 PolarHBondContact O-N 3.34Å; L157-D160 PolarHBondContact O-N 3.18Å; L157-P261 HydrophobicContact CD1-CB 4.13Å; L157-P261 HydrophobicContact CD1-CG 4.01Å
158Q98.3Very high98.4Very high64 Ų6449.2 Ų49.230%0.29924%0.237SC..Hα-helixtrans-59-36.1-174.5177.8175.741.600112.9L47 N118 W154L47-Q158 HydrophobicContact CD1-CG 4.11Å; N118-Q158 PolarHBondContact ND2-NE2 3.2Å; W154-Q158 HydrophobicContact CZ2-CB 4.21Å; W154-Q158 HydrophobicContact CZ2-CG 4.39Å; W154-Q158 WeakPolarHBondContact O-CB 3.31Å; W154-Q158 PolarHBondContact O-N 3.12Å
159N98.1Very high98.4Very high73 Ų7343 Ų4339%0.3921%0.21SC..THydrogen-bonded Turntrans-103.611.7-175.6-57.2-68000113.5M155 L157 K161M155-N159 WeakPolarHBondContact CE-ND2 3.23Å; M155-N159 WeakPolarHBondContact O-CB 3.49Å; M155-N159 PolarHBondContact O-N 3.36Å; M155-N159 VanDerWaalsContact O-N 3.1Å; M155-N159 PolarHBondContact O-ND2 2.97Å; L157-N159 VanDerWaalsContact C-N 3.26Å; L157-N159 PolarHBondContact O-N 3.34Å; N159-K161 VanDerWaalsContact C-N 3.3Å; N159-K161 HydrophobicContact CB-CG 3.96Å; N159-K161 WeakPolarHBondContact O-CG 3.34Å; N159-K161 PolarHBondContact O-N 3.21Å
160D98.3Very high98.4Very high66 Ų6649.5 Ų49.535%0.35323%0.233SC..THydrogen-bonded Turntrans53.744.7-179.5-167.725000112.5W12 R15 G156 L157W12-D160 PolarHBondContact NE1-OD1 2.93Å; R15-D160 IonicContact CZ-OD2 3.99Å; R15-D160 IonicContact NH2-OD1 3.39Å; R15-D160 PolarHBondContact NH2-OD1 2.84Å; R15-D160 IonicContact NH2-OD2 2.73Å; R15-D160 PolarHBondContact NH2-OD2 2.91Å; G156-D160 PolarHBondContact O-N 2.73Å; L157-D160 PolarHBondContact O-N 3.18Å
161K98.6Very high98.3Very high118 Ų11851.1 Ų51.151%0.51324%0.24SC..  trans-107.385.5-177.8-62.1-56.6-178.3-1750111.4G156 N159 D163 Q164 F165G156-K161 PolarHBondContact O-N 2.92Å; N159-K161 VanDerWaalsContact C-N 3.3Å; N159-K161 HydrophobicContact CB-CG 3.96Å; N159-K161 WeakPolarHBondContact O-CG 3.34Å; N159-K161 PolarHBondContact O-N 3.21Å; K161-D163 PolarHBondContact O-N 3.45Å; K161-Q164 HydrophobicContact CB-CB 3.7Å; K161-Q164 WeakPolarHBondContact O-CB 3.46Å; K161-Q164 PolarHBondContact O-N 3.29Å; K161-Q164 VanDerWaalsContact O-N 3.16Å; K161-F165 PolarHBondContact O-N 2.96Å
162F98.6Very high98.3Very high7 Ų745 Ų453%0.03121%0.213CC..Hα-helixtrans-45.7-57.3178.1175.8-92.6000113.7L8 R9 W12 F13 Q164 F165 W166L8-F162 HydrophobicContact CB-CE2 3.92Å; L8-F162 HydrophobicContact CB-CZ 4Å; R9-F162 HydrophobicContact CB-CE2 4.47Å; R9-F162 HydrophobicContact CG-CD1 4.29Å; R9-F162 HydrophobicContact CG-CD2 4.25Å; R9-F162 HydrophobicContact CG-CE1 3.83Å; R9-F162 HydrophobicContact CG-CE2 3.76Å; R9-F162 HydrophobicContact CG-CZ 3.54Å; W12-F162 HydrophobicContact CB-CD2 3.72Å; W12-F162 HydrophobicContact CB-CE2 4.26Å; W12-F162 HydrophobicContact CD2-CB 4.31Å; W12-F162 HydrophobicContact CD2-CD2 4Å; W12-F162 HydrophobicContact CE3-CD2 4.46Å; W12-F162 HydrophobicContact CG-CB 4.19Å; W12-F162 AromaticContact CG-CD2 3.65Å; W12-F162 HydrophobicContact CG-CD2 3.65Å; W12-F162 HydrophobicContact CG-CG 4.41Å; F13-F162 HydrophobicContact CE2-CB 4.09Å; F13-F162 HydrophobicContact CE2-CG 4.38Å; F13-F162 HydrophobicContact CZ-CB 3.83Å; F162-Q164 VanDerWaalsContact C-N 3.29Å; F162-Q164 PolarHBondContact O-N 2.95Å; F162-F165 PolarHBondContact O-N 3.41Å; F162-W166 AromaticContact CD2-CD1 3.38Å; F162-W166 AromaticContact CD2-NE1 3.73Å; F162-W166 AromaticContact CE2-CD1 3.14Å; F162-W166 HydrophobicContact CE2-CG 4.1Å; F162-W166 AromaticContact CE2-NE1 3.28Å; F162-W166 VanDerWaalsContact CE2-NE1 3.28Å; F162-W166 AromaticContact CG-CD1 3.98Å; F162-W166 AromaticContact CZ-CD1 3.53Å; F162-W166 HydrophobicContact CZ-CG 4.09Å; F162-W166 AromaticContact CZ-NE1 3.96Å; F162-W166 PolarHBondContact O-N 3.44Å
163D98.3Very high98.3Very high103 Ų10343.4 Ų43.455%0.55121%0.206SC*.Hα-helixtrans-66.4-33.4-174.9-61.4-58.1000112K161 A167K161-D163 PolarHBondContact O-N 3.45Å; D163-A167 VanDerWaalsContact O-CB 3.24Å; D163-A167 WeakPolarHBondContact O-CB 3.48Å; D163-A167 PolarHBondContact O-N 2.88Å
164Q98.4Very high98.1Very high67 Ų6749 Ų4931%0.31323%0.232SC..Hα-helixtrans-65.4-44.3176.1-178178.38.400111.1Q152 K161 F162Q152-Q164 HydrophobicContact CG-CG 3.63Å; Q152-Q164 WeakPolarHBondContact CG-O 3.44Å; Q152-Q164 PolarHBondContact NE2-O 3.44Å; K161-Q164 HydrophobicContact CB-CB 3.7Å; K161-Q164 WeakPolarHBondContact O-CB 3.46Å; K161-Q164 PolarHBondContact O-N 3.29Å; K161-Q164 VanDerWaalsContact O-N 3.16Å; F162-Q164 VanDerWaalsContact C-N 3.29Å; F162-Q164 PolarHBondContact O-N 2.95Å
165F98.8Very high97.8Very high1 Ų152 Ų520%0.00424%0.244CC..Hα-helixtrans-65.2-54.4177.1177.3-100.9000111.2W12 F125 L153 K161 F162 A167 M168 N169 P261W12-F165 HydrophobicContact CE3-CD1 4.08Å; W12-F165 HydrophobicContact CH2-CB 3.56Å; W12-F165 AromaticContact CH2-CD1 3.96Å; W12-F165 HydrophobicContact CH2-CD1 3.96Å; W12-F165 HydrophobicContact CH2-CD2 4.21Å; W12-F165 AromaticContact CH2-CG 3.63Å; W12-F165 HydrophobicContact CH2-CG 3.63Å; W12-F165 HydrophobicContact CZ2-CB 4.4Å; W12-F165 HydrophobicContact CZ3-CB 3.83Å; W12-F165 AromaticContact CZ3-CD1 3.31Å; W12-F165 HydrophobicContact CZ3-CD1 3.31Å; W12-F165 HydrophobicContact CZ3-CD2 4.19Å; W12-F165 AromaticContact CZ3-CE1 3.88Å; W12-F165 HydrophobicContact CZ3-CE1 3.88Å; W12-F165 AromaticContact CZ3-CG 3.48Å; W12-F165 HydrophobicContact CZ3-CG 3.48Å; W12-F165 VanDerWaalsContact CZ3-CG 3.48Å; F125-F165 AromaticContact CZ-CE2 3.98Å; F125-F165 HydrophobicContact CZ-CE2 3.98Å; L153-F165 HydrophobicContact CB-CD2 4.41Å; L153-F165 HydrophobicContact CB-CE2 4.33Å; L153-F165 HydrophobicContact CD2-CD2 3.88Å; L153-F165 HydrophobicContact CD2-CE2 3.64Å; L153-F165 HydrophobicContact CD2-CZ 4.3Å; L153-F165 WeakPolarHBondContact O-CD2 3.36Å; K161-F165 PolarHBondContact O-N 2.96Å; F162-F165 PolarHBondContact O-N 3.41Å; F165-A167 VanDerWaalsContact C-N 3.3Å; F165-A167 PolarHBondContact O-N 2.97Å; F165-M168 PolarHBondContact O-N 3.47Å; F165-M168 VanDerWaalsContact O-N 3.09Å; F165-N169 HydrophobicContact CD1-CB 3.89Å; F165-N169 HydrophobicContact CE1-CB 3.45Å; F165-N169 VanDerWaalsContact CE1-CB 3.45Å; F165-N169 WeakPolarHBondContact CE1-ND2 3.45Å; F165-N169 HydrophobicContact CE2-CB 4.31Å; F165-N169 HydrophobicContact CZ-CB 3.67Å; F165-N169 VanDerWaalsContact CZ-CG 3.42Å; F165-N169 PolarHBondContact O-N 3.06Å; F165-P261 HydrophobicContact CE1-CB 4.16Å; F165-P261 HydrophobicContact CE2-CB 3.96Å; F165-P261 HydrophobicContact CZ-CB 3.64Å; F165-P261 WeakPolarHBondContact CZ-O 3.43Å
166W98.3Very high97.2Very high37 Ų3752.3 Ų52.314%0.1425%0.251CS..Hα-helixtrans-69.4-22.7-174.3-83.3102.8000114.4L8 F162 M168 N169 R170 M173L8-W166 HydrophobicContact CB-CZ2 4.41Å; L8-W166 HydrophobicContact CD1-CD2 4.23Å; L8-W166 HydrophobicContact CD1-CE3 4.22Å; L8-W166 HydrophobicContact CD1-CH2 3.99Å; L8-W166 HydrophobicContact CD1-CZ2 4.03Å; L8-W166 HydrophobicContact CD1-CZ3 4.09Å; L8-W166 HydrophobicContact CD2-CH2 3.63Å; L8-W166 HydrophobicContact CD2-CZ2 3.53Å; L8-W166 HydrophobicContact CD2-CZ3 4.5Å; L8-W166 HydrophobicContact CG-CH2 4.41Å; L8-W166 HydrophobicContact CG-CZ2 4.2Å; F162-W166 AromaticContact CD2-CD1 3.38Å; F162-W166 AromaticContact CD2-NE1 3.73Å; F162-W166 AromaticContact CE2-CD1 3.14Å; F162-W166 HydrophobicContact CE2-CG 4.1Å; F162-W166 AromaticContact CE2-NE1 3.28Å; F162-W166 VanDerWaalsContact CE2-NE1 3.28Å; F162-W166 AromaticContact CG-CD1 3.98Å; F162-W166 AromaticContact CZ-CD1 3.53Å; F162-W166 HydrophobicContact CZ-CG 4.09Å; F162-W166 AromaticContact CZ-NE1 3.96Å; F162-W166 PolarHBondContact O-N 3.44Å; W166-M168 PolarHBondContact O-N 3.45Å; W166-N169 HydrophobicContact CD2-CB 4.31Å; W166-N169 HydrophobicContact CE3-CB 3.99Å; W166-N169 VanDerWaalsContact CH2-ND2 3.27Å; W166-N169 WeakPolarHBondContact CH2-ND2 3.31Å; W166-N169 HydrophobicContact CZ3-CB 4.36Å; W166-N169 WeakPolarHBondContact CZ3-ND2 3.29Å; W166-R170 WeakPolarHBondContact O-CB 3.48Å; W166-R170 VanDerWaalsContact O-CG 3.29Å; W166-R170 WeakPolarHBondContact O-CG 3.39Å; W166-R170 PolarHBondContact O-N 3.24Å; W166-R170 VanDerWaalsContact O-N 3.09Å; W166-M173 HydrophobicContact CH2-CG 4.35Å; W166-M173 HydrophobicContact CZ3-CG 3.98Å
167A97.9Very high96.3Very high31 Ų3158.9 Ų58.926%0.25629%0.291SS..Hα-helixtrans-55.9-33.7170.600000112.5D163 F165 R170D163-A167 VanDerWaalsContact O-CB 3.24Å; D163-A167 WeakPolarHBondContact O-CB 3.48Å; D163-A167 PolarHBondContact O-N 2.88Å; F165-A167 VanDerWaalsContact C-N 3.3Å; F165-A167 PolarHBondContact O-N 2.97Å; A167-R170 PolarHBondContact O-NE 2.91Å
168M98Very high95.5Very high24 Ų2467.9 Ų67.912%0.11833%0.333CS..Hα-helixtrans-97.1-43.6174.8-66.1-54.1114.500112.2D149 Q152 L153 F165 W166 R170 K171D149-M168 HydrophobicContact CB-CG 4.21Å; D149-M168 HydrophobicContact CB-SD 3.76Å; Q152-M168 HydrophobicContact CB-CG 4.09Å; Q152-M168 HydrophobicContact CG-CG 4.01Å; L153-M168 HydrophobicContact CD2-CB 3.69Å; L153-M168 HydrophobicContact CG-CB 3.9Å; F165-M168 PolarHBondContact O-N 3.47Å; F165-M168 VanDerWaalsContact O-N 3.09Å; W166-M168 PolarHBondContact O-N 3.45Å; M168-R170 PolarHBondContact O-N 3.45Å; M168-K171 WeakPolarHBondContact O-CB 3.35Å; M168-K171 PolarHBondContact O-N 2.83Å; M168-K171 VanDerWaalsContact O-N 3.12Å
169N98.4Very high94.6Very high2 Ų270.5 Ų70.51%0.01135%0.345CS..Hα-helixtrans-61.7-30.1-174.9-164.858.8000113.4L153 F165 W166 K171 L172 M173 N263L153-N169 HydrophobicContact CD2-CB 3.96Å; F165-N169 HydrophobicContact CD1-CB 3.89Å; F165-N169 HydrophobicContact CE1-CB 3.45Å; F165-N169 VanDerWaalsContact CE1-CB 3.45Å; F165-N169 WeakPolarHBondContact CE1-ND2 3.45Å; F165-N169 HydrophobicContact CE2-CB 4.31Å; F165-N169 HydrophobicContact CZ-CB 3.67Å; F165-N169 VanDerWaalsContact CZ-CG 3.42Å; F165-N169 PolarHBondContact O-N 3.06Å; W166-N169 HydrophobicContact CD2-CB 4.31Å; W166-N169 HydrophobicContact CE3-CB 3.99Å; W166-N169 VanDerWaalsContact CH2-ND2 3.27Å; W166-N169 WeakPolarHBondContact CH2-ND2 3.31Å; W166-N169 HydrophobicContact CZ3-CB 4.36Å; W166-N169 WeakPolarHBondContact CZ3-ND2 3.29Å; N169-K171 PolarHBondContact O-N 3.18Å; N169-L172 WeakPolarHBondContact O-CA 3.28Å; N169-L172 WeakPolarHBondContact O-CB 3.44Å; N169-L172 PolarHBondContact O-N 2.82Å; N169-M173 PolarHBondContact O-N 3.34Å; N169-N263 PolarHBondContact OD1-ND2 3.05Å
170R97.4Very high93.9Very high149 Ų14968.6 Ų68.656%0.56234%0.343SS*.G310 helixtrans-54.5-35.6175.968.4-173.4179.3160.67.3113.2W166 A167 M168 L172 M173 E174W166-R170 WeakPolarHBondContact O-CB 3.48Å; W166-R170 VanDerWaalsContact O-CG 3.29Å; W166-R170 WeakPolarHBondContact O-CG 3.39Å; W166-R170 PolarHBondContact O-N 3.24Å; W166-R170 VanDerWaalsContact O-N 3.09Å; A167-R170 PolarHBondContact O-NE 2.91Å; M168-R170 PolarHBondContact O-N 3.45Å; R170-L172 VanDerWaalsContact C-N 3.26Å; R170-L172 PolarHBondContact O-N 3.07Å; R170-M173 CarbonylContact O-C 3.42Å; R170-M173 PolarHBondContact O-N 3.41Å; R170-E174 WeakPolarHBondContact O-CG 3.28Å; R170-E174 PolarHBondContact O-N 3.38Å
171K97.7Very high93.7Very high74 Ų7465.6 Ų65.632%0.32233%0.327SS..G310 helixtrans-63.1-35.6176.9-61.4178179.81770111.5V141 M145 M168 N169 M173 E174V141-K171 HydrophobicContact CG1-CB 4.22Å; V141-K171 WeakPolarHBondContact CG1-O 3.4Å; M145-K171 HydrophobicContact CE-CB 3.74Å; M145-K171 HydrophobicContact CE-CD 4.06Å; M168-K171 WeakPolarHBondContact O-CB 3.35Å; M168-K171 PolarHBondContact O-N 2.83Å; M168-K171 VanDerWaalsContact O-N 3.12Å; N169-K171 PolarHBondContact O-N 3.18Å; K171-M173 PolarHBondContact O-N 2.97Å; K171-E174 PolarHBondContact O-N 3.1Å
172L98.2Very high93.7Very high0 Ų060.2 Ų60.20%030%0.304CS..G310 helixtrans-75.3-9.7176.3-62.2166.1000112.3I129 D133 K136 H137 V141 I142 M145 L153 N169 R170 N263I129-L172 HydrophobicContact CG2-CD1 3.82Å; D133-L172 HydrophobicContact CB-CD2 4.3Å; D133-L172 WeakPolarHBondContact OD1-CD2 3.25Å; K136-L172 WeakPolarHBondContact CE-O 3.21Å; K136-L172 PolarHBondContact NZ-O 2.78Å; H137-L172 PolarHBondContact CE1-O 3.31Å; H137-L172 VanDerWaalsContact CE1-O 3.31Å; V141-L172 HydrophobicContact CB-CD2 4.17Å; V141-L172 HydrophobicContact CG1-CD2 3.86Å; I142-L172 HydrophobicContact CB-CD2 4.15Å; I142-L172 HydrophobicContact CD1-CD1 4.49Å; I142-L172 HydrophobicContact CD1-CD2 4.24Å; M145-L172 HydrophobicContact CE-CD1 4.2Å; M145-L172 HydrophobicContact CE-CD2 3.76Å; M145-L172 HydrophobicContact CE-CG 3.59Å; L153-L172 HydrophobicContact CD1-CD1 4.22Å; N169-L172 WeakPolarHBondContact O-CA 3.28Å; N169-L172 WeakPolarHBondContact O-CB 3.44Å; N169-L172 PolarHBondContact O-N 2.82Å; R170-L172 VanDerWaalsContact C-N 3.26Å; R170-L172 PolarHBondContact O-N 3.07Å; L172-N263 WeakPolarHBondContact CB-OD1 3.44Å
173M97.8Very high93.6Very high19 Ų1964.2 Ų64.29%0.09432%0.319CS..G310 helixtrans-105.2-2.4176.2-59.2-54.317600112.7K136 W166 N169 R170 K171 Y175 F182 N263K136-M173 PolarHBondContact NZ-SD 2.66Å; K136-M173 VanDerWaalsContact NZ-SD 3.37Å; W166-M173 HydrophobicContact CH2-CG 4.35Å; W166-M173 HydrophobicContact CZ3-CG 3.98Å; N169-M173 PolarHBondContact O-N 3.34Å; R170-M173 CarbonylContact O-C 3.42Å; R170-M173 PolarHBondContact O-N 3.41Å; K171-M173 PolarHBondContact O-N 2.97Å; M173-Y175 WeakPolarHBondContact O-CD1 3.43Å; M173-F182 HydrophobicContact CB-CZ 4.39Å; M173-F182 HydrophobicContact SD-CE2 4.43Å; M173-F182 HydrophobicContact SD-CZ 3.92Å; M173-N263 HydrophobicContact CE-CB 4.21Å; M173-N263 VanDerWaalsContact CE-CG 3.49Å; M173-N263 WeakPolarHBondContact CE-OD1 3.23Å
174E94.6Very high93.6Very high117 Ų11761.2 Ų61.255%0.54730%0.3SS..  trans-84.2143.5174.6-73.3164.1-163.700110.6H137 R170 K171H137-E174 PolarHBondContact NE2-O 2.88Å; H137-E174 VanDerWaalsContact NE2-O 3.15Å; R170-E174 WeakPolarHBondContact O-CG 3.28Å; R170-E174 PolarHBondContact O-N 3.38Å; K171-E174 PolarHBondContact O-N 3.1Å
175Y92.9Very high93.6Very high72 Ų7258 Ų5828%0.28229%0.285SS..  trans-142.9158.2174.746-86.6000109.9M173 T177 G180 G181 F182 Q252 E256M173-Y175 WeakPolarHBondContact O-CD1 3.43Å; Y175-T177 PolarHBondContact O-N 2.98Å; Y175-G180 VanDerWaalsContact CE2-O 3.3Å; Y175-G180 WeakPolarHBondContact CE2-O 3.32Å; Y175-G181 VanDerWaalsContact CD2-CA 3.43Å; Y175-G181 VanDerWaalsContact CD2-N 3.35Å; Y175-G181 VanDerWaalsContact CE2-CA 3.47Å; Y175-F182 AromaticContact CD1-CD1 3.74Å; Y175-F182 HydrophobicContact CD1-CD1 3.74Å; Y175-F182 AromaticContact CD1-CE1 3.51Å; Y175-F182 HydrophobicContact CD1-CE1 3.51Å; Y175-F182 HydrophobicContact CD1-CZ 4.21Å; Y175-F182 HydrophobicContact CE1-CE1 4.17Å; Y175-F182 HydrophobicContact CE1-CZ 4.45Å; Y175-F182 HydrophobicContact CG-CD1 4.32Å; Y175-F182 HydrophobicContact CG-CE1 4.45Å; Y175-Q252 HydrophobicContact CE1-CG 4.49Å; Y175-E256 WeakPolarHBondContact CE1-OE1 3.46Å; Y175-E256 VanDerWaalsContact CZ-OE1 3.31Å; Y175-E256 PolarHBondContact OH-OE1 2.9Å
176P86Confident93.6Very high68 Ų6858 Ų5844%0.44229%0.285SS..  trans-61.2131.7177.5-19.832.1000111.2E178 E179P176-E178 PolarHBondContact O-N 3.36Å; P176-E178 VanDerWaalsContact O-N 3.1Å; P176-E179 HydrophobicContact CB-CG 4.21Å; P176-E179 HydrophobicContact CG-CG 4.35Å; P176-E179 PolarHBondContact O-N 3.38Å
177T79.4Confident93.6Very high137 Ų13756.2 Ų56.284%0.8428%0.278SS*.G310 helixtrans-56.2-31.7-179.4-46.10000112.6Y175 E179 G180Y175-T177 PolarHBondContact O-N 2.98Å; T177-E179 VanDerWaalsContact C-N 3.27Å; T177-E179 PolarHBondContact O-N 3.34Å; T177-G180 PolarHBondContact O-N 2.81Å
178E82Confident93.7Very high197 Ų19755.9 Ų55.992%0.92127%0.27SS*.G310 helixtrans-65.6-27.9178.2-59.8-179-17400113.1P176P176-E178 PolarHBondContact O-N 3.36Å; P176-E178 VanDerWaalsContact O-N 3.1Å
179E78.7Confident93.7Very high118 Ų11854.7 Ų54.755%0.55127%0.265SS*.G310 helixtrans-86-17.8179.6-63.6-168.7169.200112.4P176 T177 G181P176-E179 HydrophobicContact CB-CG 4.21Å; P176-E179 HydrophobicContact CG-CG 4.35Å; P176-E179 PolarHBondContact O-N 3.38Å; T177-E179 VanDerWaalsContact C-N 3.27Å; T177-E179 PolarHBondContact O-N 3.34Å; E179-G181 PolarHBondContact O-N 3.06Å
180G84.3Confident93.6Very high34 Ų3454.7 Ų54.735%0.35126%0.264SS..  trans68.9-12.8178.500000115.8Y175 T177 I206Y175-G180 VanDerWaalsContact CE2-O 3.3Å; Y175-G180 WeakPolarHBondContact CE2-O 3.32Å; T177-G180 PolarHBondContact O-N 2.81Å; G180-I206 WeakPolarHBondContact O-CD1 3.31Å
181G94.1Very high93.4Very high2 Ų248.9 Ų48.92%0.02124%0.244CC..SBendtrans-173.5-174.7179.600000112.5Y175 E179Y175-G181 VanDerWaalsContact CD2-CA 3.43Å; Y175-G181 VanDerWaalsContact CD2-N 3.35Å; Y175-G181 VanDerWaalsContact CE2-CA 3.47Å; E179-G181 PolarHBondContact O-N 3.06Å
182F97.4Very high92.5Very high6 Ų647.6 Ų47.63%0.02624%0.243CC..  trans-65.5158.9174.5-58.2-44.8000112.3K136 H137 M173 Y175 Y184 I185 P205 Q252 E256K136-F182 HydrophobicContact CB-CB 4.07Å; K136-F182 HydrophobicContact CB-CD1 3.97Å; K136-F182 HydrophobicContact CB-CG 4.01Å; K136-F182 HydrophobicContact CD-CD1 3.79Å; K136-F182 HydrophobicContact CD-CD2 3.61Å; K136-F182 HydrophobicContact CD-CE1 3.8Å; K136-F182 HydrophobicContact CD-CE2 3.63Å; K136-F182 HydrophobicContact CD-CG 3.71Å; K136-F182 HydrophobicContact CD-CZ 3.76Å; K136-F182 HydrophobicContact CG-CB 3.94Å; K136-F182 HydrophobicContact CG-CD1 4Å; K136-F182 HydrophobicContact CG-CD2 3.88Å; K136-F182 HydrophobicContact CG-CE2 4.42Å; K136-F182 HydrophobicContact CG-CG 3.67Å; H137-F182 AromaticContact CE1-CD1 3.99Å; H137-F182 AromaticContact CE1-CE1 3.98Å; H137-F182 AromaticContact NE2-CD1 3.4Å; H137-F182 WeakPolarHBondContact NE2-CD1 3.33Å; H137-F182 AromaticContact NE2-CE1 3.69Å; M173-F182 HydrophobicContact CB-CZ 4.39Å; M173-F182 HydrophobicContact SD-CE2 4.43Å; M173-F182 HydrophobicContact SD-CZ 3.92Å; Y175-F182 AromaticContact CD1-CD1 3.74Å; Y175-F182 HydrophobicContact CD1-CD1 3.74Å; Y175-F182 AromaticContact CD1-CE1 3.51Å; Y175-F182 HydrophobicContact CD1-CE1 3.51Å; Y175-F182 HydrophobicContact CD1-CZ 4.21Å; Y175-F182 HydrophobicContact CE1-CE1 4.17Å; Y175-F182 HydrophobicContact CE1-CZ 4.45Å; Y175-F182 HydrophobicContact CG-CD1 4.32Å; Y175-F182 HydrophobicContact CG-CE1 4.45Å; F182-Y184 PolarHBondContact O-N 3.47Å; F182-I185 HydrophobicContact CD2-CD1 3.99Å; F182-P205 HydrophobicContact CB-CG 4.49Å; F182-P205 WeakPolarHBondContact O-CD 3.49Å; F182-P205 WeakPolarHBondContact O-CG 3.39Å; F182-Q252 VanDerWaalsContact CD2-NE2 3.28Å; F182-E256 HydrophobicContact CE2-CG 4.2Å; F182-E256 HydrophobicContact CZ-CG 4.06Å
183R96.9Very high91.2Very high91 Ų9155.5 Ų55.534%0.34328%0.282SS..SBendtrans-61.2-46.3174.4-175.5-175.4-176.6-168.52.4112.4K136K136-R183 WeakPolarHBondContact O-CB 3.04Å; K136-R183 PolarHBondContact O-N 3.42Å; K136-R183 VanDerWaalsContact O-N 3.08Å
184Y98.4Very high90.2Very high39 Ų3956.9 Ų56.915%0.15329%0.293CS..SBendtrans-143.1150.8172.6-60.3-68000109.7L135 F182 P186 L202 F203 R204L135-Y184 PolarHBondContact O-N 3.23Å; F182-Y184 PolarHBondContact O-N 3.47Å; Y184-P186 WeakPolarHBondContact O-CD 3.39Å; Y184-L202 HydrophobicContact CD1-CB 3.91Å; Y184-L202 HydrophobicContact CD1-CD2 4.42Å; Y184-L202 HydrophobicContact CD2-CD2 3.93Å; Y184-L202 HydrophobicContact CE1-CB 3.87Å; Y184-L202 HydrophobicContact CE1-CD1 4.45Å; Y184-L202 HydrophobicContact CE2-CD1 4.23Å; Y184-L202 HydrophobicContact CE2-CD2 4.14Å; Y184-L202 HydrophobicContact CG-CB 4.4Å; Y184-L202 HydrophobicContact CG-CD2 4.08Å; Y184-F203 VanDerWaalsContact CA-O 3.29Å; Y184-F203 WeakPolarHBondContact CA-O 3.49Å; Y184-R204 HydrophobicContact CD1-CG 3.85Å; Y184-R204 HydrophobicContact CE1-CG 3.75Å
185I98.6Very high89.2Confident1 Ų159.7 Ų59.71%0.00531%0.312CS..  trans-81.1125.1176-62.2-55.9000110.3F182 F187 F203 P205 L251F182-I185 HydrophobicContact CD2-CD1 3.99Å; I185-F187 HydrophobicContact CB-CD1 4.42Å; I185-F187 HydrophobicContact CG2-CB 4.22Å; I185-F187 HydrophobicContact CG2-CD1 4.24Å; I185-F187 WeakPolarHBondContact O-CD1 3.43Å; I185-F187 PolarHBondContact O-N 2.97Å; I185-F203 PolarHBondContact N-O 3.41Å; I185-P205 HydrophobicContact CD1-CB 3.68Å; I185-P205 HydrophobicContact CD1-CG 3.88Å; I185-P205 HydrophobicContact CG1-CB 3.95Å; I185-P205 HydrophobicContact CG1-CG 4.25Å; I185-L251 HydrophobicContact CB-CD2 4.22Å; I185-L251 HydrophobicContact CG1-CD2 3.73Å; I185-L251 HydrophobicContact CG1-CG 3.92Å; I185-L251 HydrophobicContact CG2-CD1 4.49Å; I185-L251 HydrophobicContact CG2-CD2 4.3Å; I185-L251 HydrophobicContact CG2-CG 4.2Å
186P98.8Very high88.8Confident0 Ų065.1 Ų65.10%033%0.332CS..  trans-75.4105.8167.8-10.327.5000109.5A132 L135 K136 Y184 N263 F264 L265A132-P186 HydrophobicContact CB-CB 3.82Å; A132-P186 HydrophobicContact CB-CG 3.84Å; L135-P186 HydrophobicContact CB-CG 4.27Å; L135-P186 HydrophobicContact CD1-CB 3.98Å; L135-P186 HydrophobicContact CD1-CG 4.44Å; K136-P186 HydrophobicContact CD-CG 3.89Å; K136-P186 HydrophobicContact CG-CG 3.56Å; Y184-P186 WeakPolarHBondContact O-CD 3.39Å; P186-N263 WeakPolarHBondContact CB-O 3.34Å; P186-F264 HydrophobicContact CB-CD1 3.85Å; P186-F264 HydrophobicContact CB-CD2 4.45Å; P186-F264 HydrophobicContact CB-CE1 3.89Å; P186-F264 HydrophobicContact CB-CE2 4.48Å; P186-F264 HydrophobicContact CB-CG 4.14Å; P186-F264 HydrophobicContact CB-CZ 4.21Å; P186-L265 PolarHBondContact O-N 3.43Å
187F98.8Very high89Confident0 Ų066.1 Ų66.10%034%0.338CS..EExtended strand (participates in β ladder)trans-137.8156.7176.874.1-88.9000111.2I185 I189 Q200 K201 F203 L218 V222 L265I185-F187 HydrophobicContact CB-CD1 4.42Å; I185-F187 HydrophobicContact CG2-CB 4.22Å; I185-F187 HydrophobicContact CG2-CD1 4.24Å; I185-F187 WeakPolarHBondContact O-CD1 3.43Å; I185-F187 PolarHBondContact O-N 2.97Å; F187-I189 HydrophobicContact CD2-CD1 4.3Å; F187-I189 HydrophobicContact CD2-CG1 3.85Å; F187-I189 HydrophobicContact CE2-CD1 4.03Å; F187-I189 HydrophobicContact CE2-CG1 3.97Å; F187-Q200 WeakPolarHBondContact O-CG 3.26Å; F187-K201 WeakPolarHBondContact CE1-O 3.5Å; F187-K201 HydrophobicContact CZ-CB 4.27Å; F187-F203 HydrophobicContact CE1-CB 3.81Å; F187-L218 HydrophobicContact CD1-CD1 4.08Å; F187-L218 HydrophobicContact CD1-CD2 4.39Å; F187-L218 HydrophobicContact CD2-CD1 4.48Å; F187-L218 HydrophobicContact CD2-CD2 4.27Å; F187-L218 HydrophobicContact CE1-CD1 3.65Å; F187-L218 HydrophobicContact CE2-CD1 4.1Å; F187-L218 HydrophobicContact CG-CD1 4.49Å; F187-L218 HydrophobicContact CG-CD2 4.17Å; F187-L218 HydrophobicContact CZ-CD1 3.67Å; F187-V222 HydrophobicContact CE2-CG1 4.17Å; F187-V222 HydrophobicContact CE2-CG2 4.47Å; F187-V222 HydrophobicContact CZ-CG1 4.35Å; F187-V222 HydrophobicContact CZ-CG2 4Å; F187-L265 CarbonylContact C-O 3.51Å; F187-L265 VanDerWaalsContact CA-O 3.26Å; F187-L265 WeakPolarHBondContact CA-O 3.15Å; F187-L265 HydrophobicContact CB-CB 4.16Å
188R98.7Very high89.8Confident23 Ų2362.6 Ų62.69%0.08731%0.311CS..EExtended strand (participates in β ladder)trans-137.1126.8168.7-70.7177.8178.4155.91.9109E131 Y190 F198 Q200 F264 L265 I267E131-R188 VanDerWaalsContact CD-NH2 3.27Å; E131-R188 IonicContact OE1-NH2 3.56Å; E131-R188 PolarHBondContact OE1-NH2 3.18Å; E131-R188 IonicContact OE2-NH2 3.92Å; E131-R188 PolarHBondContact OE2-NH2 2.88Å; R188-Y190 HydrophobicContact CB-CD2 4.32Å; R188-Y190 HydrophobicContact CB-CE2 3.43Å; R188-Y190 VanDerWaalsContact CB-CE2 3.43Å; R188-Y190 WeakPolarHBondContact CB-OH 3.06Å; R188-Y190 WeakPolarHBondContact CD-OH 3.43Å; R188-Y190 WeakPolarHBondContact O-CD2 3.44Å; R188-Y190 WeakPolarHBondContact O-CE2 3.33Å; R188-F198 HydrophobicContact CB-CB 4.21Å; R188-F198 HydrophobicContact CB-CD2 4.11Å; R188-F198 HydrophobicContact CB-CG 4.19Å; R188-F198 HydrophobicContact CG-CD2 3.7Å; R188-F198 HydrophobicContact CG-CE2 3.94Å; R188-F198 HydrophobicContact CG-CG 4.17Å; R188-Q200 HydrophobicContact CG-CB 4.43Å; R188-F264 HydrophobicContact CG-CD1 3.96Å; R188-F264 HydrophobicContact CG-CE1 4.21Å; R188-L265 PolarHBondContact N-O 3.47Å; R188-I267 PolarHBondContact O-N 3.26Å
189I98.3Very high90.5Very high0 Ų054.7 Ų54.70%028%0.275CS..EExtended strand (participates in β ladder)trans-100.4120.5175.6-56.3177.2000108.9F187 L191 F198 I199 L219 V222 I267 V269F187-I189 HydrophobicContact CD2-CD1 4.3Å; F187-I189 HydrophobicContact CD2-CG1 3.85Å; F187-I189 HydrophobicContact CE2-CD1 4.03Å; F187-I189 HydrophobicContact CE2-CG1 3.97Å; I189-L191 HydrophobicContact CG2-CD2 4.14Å; I189-F198 CarbonylContact O-C 3.48Å; I189-F198 WeakPolarHBondContact O-CA 3.2Å; I189-F198 WeakPolarHBondContact O-CB 3.39Å; I189-I199 HydrophobicContact CB-CB 4.31Å; I189-I199 PolarHBondContact N-O 2.77Å; I189-I199 PolarHBondContact O-N 3.38Å; I189-L219 HydrophobicContact CD1-CD2 3.99Å; I189-V222 HydrophobicContact CD1-CB 4.16Å; I189-V222 HydrophobicContact CD1-CG1 3.82Å; I189-I267 CarbonylContact C-O 3.56Å; I189-I267 WeakPolarHBondContact CA-O 3.3Å; I189-I267 HydrophobicContact CG1-CB 4.36Å; I189-I267 HydrophobicContact CG1-CD1 4.34Å; I189-V269 HydrophobicContact CG2-CG2 3.65Å
190Y97.3Very high91.4Very high2 Ų252 Ų521%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-104.2134.3-178.3-59.8-91.2000109.9Y81 L85 R188 P197 F198 H266 I267 V269Y81-Y190 HydrophobicContact CD2-CD1 4.49Å; Y81-Y190 HydrophobicContact CD2-CE1 4.08Å; Y81-Y190 HydrophobicContact CE1-CE1 4.47Å; Y81-Y190 AromaticContact CE2-CD1 3.78Å; Y81-Y190 HydrophobicContact CE2-CD1 3.78Å; Y81-Y190 AromaticContact CE2-CE1 3.42Å; Y81-Y190 HydrophobicContact CE2-CE1 3.42Å; Y81-Y190 VanDerWaalsContact CE2-CE1 3.42Å; Y81-Y190 AromaticContact CZ-CE1 3.66Å; L85-Y190 HydrophobicContact CD1-CD1 4.41Å; L85-Y190 HydrophobicContact CD1-CD2 3.5Å; L85-Y190 HydrophobicContact CD1-CE2 3.89Å; L85-Y190 HydrophobicContact CD1-CG 3.8Å; L85-Y190 HydrophobicContact CD2-CD1 4.16Å; L85-Y190 HydrophobicContact CD2-CD2 3.98Å; L85-Y190 HydrophobicContact CD2-CE1 3.74Å; L85-Y190 HydrophobicContact CD2-CE2 3.55Å; L85-Y190 HydrophobicContact CD2-CG 4.27Å; L85-Y190 VanDerWaalsContact CD2-CZ 3.4Å; L85-Y190 HydrophobicContact CG-CD2 4.39Å; L85-Y190 HydrophobicContact CG-CE2 4.39Å; R188-Y190 HydrophobicContact CB-CD2 4.32Å; R188-Y190 HydrophobicContact CB-CE2 3.43Å; R188-Y190 VanDerWaalsContact CB-CE2 3.43Å; R188-Y190 WeakPolarHBondContact CB-OH 3.06Å; R188-Y190 WeakPolarHBondContact CD-OH 3.43Å; R188-Y190 WeakPolarHBondContact O-CD2 3.44Å; R188-Y190 WeakPolarHBondContact O-CE2 3.33Å; Y190-P197 WeakPolarHBondContact CD1-O 3.42Å; Y190-F198 HydrophobicContact CD1-CB 3.82Å; Y190-F198 HydrophobicContact CE1-CB 3.74Å; Y190-F198 AromaticContact CE1-CD1 3.77Å; Y190-F198 HydrophobicContact CE1-CD1 3.77Å; Y190-F198 HydrophobicContact CE1-CG 4.09Å; Y190-F198 HydrophobicContact CG-CB 4.35Å; Y190-H266 HydrophobicContact CD2-CB 4.49Å; Y190-H266 HydrophobicContact CE2-CB 3.84Å; Y190-H266 AromaticContact CE2-CG 4Å; Y190-H266 AromaticContact CE2-ND1 3.43Å; Y190-H266 WeakPolarHBondContact CE2-ND1 3.29Å; Y190-H266 AromaticContact CZ-ND1 3.64Å; Y190-H266 PolarHBondContact OH-CE1 2.96Å; Y190-H266 PolarHBondContact OH-ND1 3.15Å; Y190-I267 PolarHBondContact N-O 3.09Å; Y190-V269 PolarHBondContact O-N 3.18Å
191L92.5Very high92.1Very high27 Ų2755.4 Ų55.414%0.14127%0.268CS..EExtended strand (participates in β ladder)trans-119.9130.5-179.4-53.3-179.8000108.3I189 M193 I199 Y223 V269I189-L191 HydrophobicContact CG2-CD2 4.14Å; L191-M193 VanDerWaalsContact C-N 3.3Å; L191-M193 PolarHBondContact O-N 3.02Å; L191-I199 HydrophobicContact CD1-CD1 4.23Å; L191-Y223 HydrophobicContact CD1-CD2 4.27Å; L191-Y223 HydrophobicContact CD1-CE2 3.66Å; L191-Y223 HydrophobicContact CD2-CD1 4.07Å; L191-Y223 HydrophobicContact CD2-CE1 3.69Å; L191-Y223 HydrophobicContact CD2-CE2 4.25Å; L191-V269 HydrophobicContact CD2-CB 3.74Å; L191-V269 HydrophobicContact CD2-CG1 4.28Å; L191-V269 HydrophobicContact CD2-CG2 4.2Å
192T79.5Confident92.3Very high46 Ų4660.1 Ų60.128%0.28229%0.292SS..THydrogen-bonded Turntrans-64.9-32.5-179.744.80000113.7L89 I270L89-T192 HydrophobicContact CD1-CG2 3.56Å; L89-T192 HydrophobicContact CG-CG2 4.05Å; L89-T192 WeakPolarHBondContact O-CG2 3.4Å; T192-I270 HydrophobicContact CG2-CG2 3.88Å
193M71.1Confident92.3Very high166 Ų16660.1 Ų60.182%0.81829%0.292SS*.THydrogen-bonded Turntrans-108.624.1-171.2-57-63.2157.200113.1L191L191-M193 VanDerWaalsContact C-N 3.3Å; L191-M193 PolarHBondContact O-N 3.02Å
194S76.4Confident92.3Very high48 Ų4861.6 Ų61.634%0.33630%0.298SS..  trans-112.9137.7-177.2-1650000112.8R196S194-R196 PolarHBondContact O-N 2.94Å; S194-R196 PolarHBondContact OG-N 3.48Å
195D73.9Confident92.2Very high176 Ų17659.9 Ų59.994%0.94129%0.291SS*.SBendtrans-67.8-14.1168.3-60.3-35.6000112.6
196R84.3Confident92Very high187 Ų18761.5 Ų61.571%0.70630%0.299SS*.SBendtrans-87.6132.8175.6-67.7-173.5-178.6-175.21.5109.8S194 F198S194-R196 PolarHBondContact O-N 2.94Å; S194-R196 PolarHBondContact OG-N 3.48Å; R196-F198 VanDerWaalsContact C-N 3.34Å; R196-F198 PolarHBondContact O-N 2.73Å
197P89.1Confident91.7Very high88 Ų8862.9 Ų62.957%0.57131%0.309SS*.SBendtrans-57.1-44.3-179-24.832.2000113.6Y190Y190-P197 WeakPolarHBondContact CD1-O 3.42Å
198F96.4Very high91.1Very high63 Ų6369.2 Ų69.228%0.27635%0.353SS..  trans-167166.717750.2-95.7000110.8R188 I189 Y190 R196 Q200R188-F198 HydrophobicContact CB-CB 4.21Å; R188-F198 HydrophobicContact CB-CD2 4.11Å; R188-F198 HydrophobicContact CB-CG 4.19Å; R188-F198 HydrophobicContact CG-CD2 3.7Å; R188-F198 HydrophobicContact CG-CE2 3.94Å; R188-F198 HydrophobicContact CG-CG 4.17Å; I189-F198 CarbonylContact O-C 3.48Å; I189-F198 WeakPolarHBondContact O-CA 3.2Å; I189-F198 WeakPolarHBondContact O-CB 3.39Å; Y190-F198 HydrophobicContact CD1-CB 3.82Å; Y190-F198 HydrophobicContact CE1-CB 3.74Å; Y190-F198 AromaticContact CE1-CD1 3.77Å; Y190-F198 HydrophobicContact CE1-CD1 3.77Å; Y190-F198 HydrophobicContact CE1-CG 4.09Å; Y190-F198 HydrophobicContact CG-CB 4.35Å; R196-F198 VanDerWaalsContact C-N 3.34Å; R196-F198 PolarHBondContact O-N 2.73Å; F198-Q200 HydrophobicContact CD2-CB 4.04Å; F198-Q200 HydrophobicContact CE2-CB 4.06Å
199I97Very high90.7Very high32 Ų3274.4 Ų74.416%0.16438%0.383CS..BIsolated β-bridgetrans-102.2126.6169.1-50.6169.7000108.8I189 L191 K201 V222 Y223I189-I199 HydrophobicContact CB-CB 4.31Å; I189-I199 PolarHBondContact N-O 2.77Å; I189-I199 PolarHBondContact O-N 3.38Å; L191-I199 HydrophobicContact CD1-CD1 4.23Å; I199-K201 HydrophobicContact CG2-CG 4.37Å; I199-V222 HydrophobicContact CB-CG1 4.23Å; I199-V222 HydrophobicContact CG2-CG1 3.37Å; I199-Y223 HydrophobicContact CD1-CD2 3.8Å; I199-Y223 HydrophobicContact CD1-CG 4.23Å
200Q97.7Very high90.2Very high62 Ų6276.9 Ų76.929%0.2941%0.408SS..  trans-136125.1173.1180175.2-38.800108.2E131 F187 R188 F198E131-Q200 PolarHBondContact OE1-NE2 3.03Å; E131-Q200 PolarHBondContact OE1-OE1 2.6Å; F187-Q200 WeakPolarHBondContact O-CG 3.26Å; R188-Q200 HydrophobicContact CG-CB 4.43Å; F198-Q200 HydrophobicContact CD2-CB 4.04Å; F198-Q200 HydrophobicContact CE2-CB 4.06Å
201K97.8Very high90.1Very high105 Ų10582.1 Ų82.146%0.45743%0.429SS..  trans-137.5164.5179.3-68.7-175.1-178.6172.70109.6F187 I199 F203 V222F187-K201 WeakPolarHBondContact CE1-O 3.5Å; F187-K201 HydrophobicContact CZ-CB 4.27Å; I199-K201 HydrophobicContact CG2-CG 4.37Å; K201-F203 PolarHBondContact O-N 2.89Å; K201-V222 HydrophobicContact CD-CG1 4.26Å; K201-V222 HydrophobicContact CD-CG2 4.38Å
202L98.5Very high90.2Very high101 Ų10183.8 Ų83.853%0.52944%0.44SS..  trans-74.9120.8170.2-61.2-178.3000108.8L135 Y184L135-L202 HydrophobicContact CD2-CD2 3.66Å; Y184-L202 HydrophobicContact CD1-CB 3.91Å; Y184-L202 HydrophobicContact CD1-CD2 4.42Å; Y184-L202 HydrophobicContact CD2-CD2 3.93Å; Y184-L202 HydrophobicContact CE1-CB 3.87Å; Y184-L202 HydrophobicContact CE1-CD1 4.45Å; Y184-L202 HydrophobicContact CE2-CD1 4.23Å; Y184-L202 HydrophobicContact CE2-CD2 4.14Å; Y184-L202 HydrophobicContact CG-CB 4.4Å; Y184-L202 HydrophobicContact CG-CD2 4.08Å
203F98.4Very high91.1Very high5 Ų583.4 Ų83.42%0.02244%0.435CS..  trans-137.5130.9176.3-170.1-87.3000109.3Y184 I185 F187 K201 H213 D217 L218 E221 L251Y184-F203 VanDerWaalsContact CA-O 3.29Å; Y184-F203 WeakPolarHBondContact CA-O 3.49Å; I185-F203 PolarHBondContact N-O 3.41Å; F187-F203 HydrophobicContact CE1-CB 3.81Å; K201-F203 PolarHBondContact O-N 2.89Å; F203-H213 HydrophobicContact CE1-CB 3.63Å; F203-H213 AromaticContact CE1-CG 3.82Å; F203-H213 AromaticContact CE1-ND1 3.8Å; F203-H213 HydrophobicContact CZ-CB 3.9Å; F203-H213 AromaticContact CZ-CG 3.78Å; F203-H213 AromaticContact CZ-ND1 3.9Å; F203-D217 HydrophobicContact CZ-CB 4.33Å; F203-L218 HydrophobicContact CB-CD1 3.85Å; F203-L218 HydrophobicContact CD1-CB 4.5Å; F203-L218 HydrophobicContact CD1-CD1 3.89Å; F203-L218 HydrophobicContact CD2-CD1 3.73Å; F203-L218 HydrophobicContact CE1-CB 4.2Å; F203-L218 HydrophobicContact CE1-CD1 4.38Å; F203-L218 HydrophobicContact CE2-CB 4.42Å; F203-L218 HydrophobicContact CE2-CD1 4.23Å; F203-L218 HydrophobicContact CG-CD1 3.53Å; F203-L218 HydrophobicContact CZ-CB 4.16Å; F203-E221 HydrophobicContact CE2-CB 4.14Å; F203-E221 VanDerWaalsContact CE2-OE2 3.25Å; F203-E221 WeakPolarHBondContact CE2-OE2 3.38Å; F203-L251 HydrophobicContact CD1-CD2 3.4Å; F203-L251 VanDerWaalsContact CD1-CD2 3.4Å; F203-L251 HydrophobicContact CE1-CD2 3.41Å; F203-L251 VanDerWaalsContact CE1-CD2 3.41Å
204R97.3Very high92.4Very high123 Ų12376.5 Ų76.546%0.46440%0.402SS..  trans-90.1135.9-178.4-66.3-175.4174.7-929.4109.9Y184 I206 H213Y184-R204 HydrophobicContact CD1-CG 3.85Å; Y184-R204 HydrophobicContact CE1-CG 3.75Å; R204-I206 WeakPolarHBondContact CB-O 3.39Å; R204-I206 PolarHBondContact O-N 3.43Å; R204-H213 PolarHBondContact O-ND1 3.22Å
205P96.3Very high93.4Very high2 Ų274.2 Ų74.21%0.01339%0.386CS..SBendtrans-67.6-26174.624.1-29.2000113.1F182 I185 H213 Q252F182-P205 HydrophobicContact CB-CG 4.49Å; F182-P205 WeakPolarHBondContact O-CD 3.49Å; F182-P205 WeakPolarHBondContact O-CG 3.39Å; I185-P205 HydrophobicContact CD1-CB 3.68Å; I185-P205 HydrophobicContact CD1-CG 3.88Å; I185-P205 HydrophobicContact CG1-CB 3.95Å; I185-P205 HydrophobicContact CG1-CG 4.25Å; P205-H213 WeakPolarHBondContact O-CB 3.47Å; P205-H213 PolarHBondContact O-N 3.02Å; P205-Q252 HydrophobicContact CB-CB 3.93Å; P205-Q252 VanDerWaalsContact CG-OE1 3.31Å
206I94.9Very high94.6Very high36 Ų3666 Ų6619%0.18534%0.343CS..BIsolated β-bridgetrans-129.2135.3-178.7-55.7-177.3000108.8G180 R204 Y211G180-I206 WeakPolarHBondContact O-CD1 3.31Å; R204-I206 WeakPolarHBondContact CB-O 3.39Å; R204-I206 PolarHBondContact O-N 3.43Å; I206-Y211 WeakPolarHBondContact CA-O 3.25Å
207S91.1Very high95.2Very high28 Ų2858.6 Ų58.620%0.19632%0.317CS..  trans-76.3171.5175.664.60000112D209 G210 Y211S207-D209 WeakPolarHBondContact CB-OD1 3.46Å; S207-D209 PolarHBondContact O-N 3.4Å; S207-D209 PolarHBondContact OG-OD1 2.98Å; S207-G210 PolarHBondContact O-N 3.32Å; S207-Y211 PolarHBondContact N-O 3.37Å; S207-Y211 WeakPolarHBondContact OG-CA 3.41Å; S207-Y211 VanDerWaalsContact OG-CB 3.28Å; S207-Y211 WeakPolarHBondContact OG-CB 3.46Å; S207-Y211 PolarHBondContact OG-N 2.79Å; S207-Y211 PolarHBondContact OG-O 2.69Å
208S87.3Confident95.6Very high134 Ų13454.4 Ų54.494%0.93729%0.29SS*.THydrogen-bonded Turntrans-66-22.5178.948.50000114.5
209D89Confident95.7Very high132 Ų13251.4 Ų51.471%0.70628%0.277SS*.THydrogen-bonded Turntrans-93.54.1177.360.6-32.2000113.2S207S207-D209 WeakPolarHBondContact CB-OD1 3.46Å; S207-D209 PolarHBondContact O-N 3.4Å; S207-D209 PolarHBondContact OG-OD1 2.98Å
210G89.2Confident95.7Very high51 Ų5155.9 Ų55.953%0.52630%0.295SS..SBendtrans877.317600000114.9S207S207-G210 PolarHBondContact O-N 3.32Å
211Y93.6Very high95.6Very high113 Ų11358.5 Ų58.544%0.44331%0.307SS..  trans-69.9132172.1172.1-95.4000110.5I206 S207 H213 D217I206-Y211 WeakPolarHBondContact CA-O 3.25Å; S207-Y211 PolarHBondContact N-O 3.37Å; S207-Y211 WeakPolarHBondContact OG-CA 3.41Å; S207-Y211 VanDerWaalsContact OG-CB 3.28Å; S207-Y211 WeakPolarHBondContact OG-CB 3.46Å; S207-Y211 PolarHBondContact OG-N 2.79Å; S207-Y211 PolarHBondContact OG-O 2.69Å; Y211-H213 AromaticContact CD1-CD2 3.77Å; Y211-H213 AromaticContact CE1-CD2 3.69Å; Y211-D217 WeakPolarHBondContact CE1-OD2 3.36Å; Y211-D217 PolarHBondContact OH-OD2 3.31Å
212T95.5Very high95.5Very high61 Ų6154 Ų5437%0.37429%0.288SS..BIsolated β-bridgetrans-86.3114.6177.4-57.50000109.2P250T212-P250 HydrophobicContact CG2-CB 4.05Å
213H97.9Very high95.3Very high39 Ų3950.7 Ų50.718%0.18127%0.269CS..  trans-67.7146.7177.9-68.7127.9000111.8F203 R204 P205 Y211 D217 L251F203-H213 HydrophobicContact CE1-CB 3.63Å; F203-H213 AromaticContact CE1-CG 3.82Å; F203-H213 AromaticContact CE1-ND1 3.8Å; F203-H213 HydrophobicContact CZ-CB 3.9Å; F203-H213 AromaticContact CZ-CG 3.78Å; F203-H213 AromaticContact CZ-ND1 3.9Å; R204-H213 PolarHBondContact O-ND1 3.22Å; P205-H213 WeakPolarHBondContact O-CB 3.47Å; P205-H213 PolarHBondContact O-N 3.02Å; Y211-H213 AromaticContact CD1-CD2 3.77Å; Y211-H213 AromaticContact CE1-CD2 3.69Å; H213-D217 HydrophobicContact CB-CB 4.2Å; H213-L251 WeakPolarHBondContact O-CB 3.34Å; H213-L251 PolarHBondContact O-N 3.35Å
214T98.4Very high95Very high21 Ų2154.1 Ų54.113%0.12929%0.292CS..BIsolated β-bridgetrans-103.9170.6179.565.40000111.4G216 D217 L218 L247 E248 T249T214-G216 PolarHBondContact O-N 3.25Å; T214-G216 PolarHBondContact OG1-N 2.99Å; T214-D217 PolarHBondContact N-OD2 3.34Å; T214-D217 PolarHBondContact O-N 3.15Å; T214-D217 PolarHBondContact OG1-N 3.44Å; T214-D217 PolarHBondContact OG1-OD2 3.36Å; T214-L218 PolarHBondContact O-N 2.88Å; T214-L247 VanDerWaalsContact CB-O 3.25Å; T214-L247 WeakPolarHBondContact CB-O 3.28Å; T214-L247 PolarHBondContact OG1-O 3.08Å; T214-E248 WeakPolarHBondContact CG2-O 3.44Å; T214-T249 CarbonylContact C-O 3.54Å; T214-T249 WeakPolarHBondContact CA-O 3.5Å
215L98.4Very high94.7Very high0 Ų054 Ų540%030%0.298CS..Hα-helixtrans-55.4-39.3169.8177.958.5000111.9L218 L219 V238 P245 L247 T249 L254 I267L215-L218 PolarHBondContact O-N 3.11Å; L215-L219 HydrophobicContact CD1-CD1 4.2Å; L215-L219 HydrophobicContact CD1-CG 4.31Å; L215-L219 HydrophobicContact CG-CD1 4.09Å; L215-L219 WeakPolarHBondContact O-CG 3.24Å; L215-L219 PolarHBondContact O-N 2.93Å; L215-V238 HydrophobicContact CD2-CG1 4.19Å; L215-P245 HydrophobicContact CD2-CB 4.12Å; L215-L247 HydrophobicContact CD2-CD2 4.48Å; L215-L247 HydrophobicContact CG-CD2 4.39Å; L215-L247 PolarHBondContact N-O 3.49Å; L215-T249 PolarHBondContact N-O 3.48Å; L215-L254 HydrophobicContact CB-CD1 3.81Å; L215-L254 HydrophobicContact CD1-CD1 4.33Å; L215-L254 HydrophobicContact CD2-CD1 4.19Å; L215-L254 HydrophobicContact CG-CD1 4.33Å; L215-I267 HydrophobicContact CD1-CD1 4.15Å
216G97.7Very high94.3Very high3 Ų354.2 Ų54.23%0.03130%0.3CS..Hα-helixtrans-62.1-41.8176.500000112.3T214 L219 K220 L247T214-G216 PolarHBondContact O-N 3.25Å; T214-G216 PolarHBondContact OG1-N 2.99Å; G216-L219 PolarHBondContact O-N 3.08Å; G216-K220 WeakPolarHBondContact O-CB 3.41Å; G216-K220 VanDerWaalsContact O-CG 3.24Å; G216-K220 WeakPolarHBondContact O-CG 3.42Å; G216-K220 PolarHBondContact O-N 3.38Å; G216-L247 PolarHBondContact N-O 2.94Å
217D97.8Very high94.1Very high31 Ų3154.4 Ų54.417%0.16630%0.301CS..Hα-helixtrans-64.6-42.2178.4-59.7-41.1000111.6F203 Y211 H213 T214 L219 K220 E221F203-D217 HydrophobicContact CZ-CB 4.33Å; Y211-D217 WeakPolarHBondContact CE1-OD2 3.36Å; Y211-D217 PolarHBondContact OH-OD2 3.31Å; H213-D217 HydrophobicContact CB-CB 4.2Å; T214-D217 PolarHBondContact N-OD2 3.34Å; T214-D217 PolarHBondContact O-N 3.15Å; T214-D217 PolarHBondContact OG1-N 3.44Å; T214-D217 PolarHBondContact OG1-OD2 3.36Å; D217-L219 PolarHBondContact O-N 3.49Å; D217-K220 PolarHBondContact O-N 3.33Å; D217-E221 PolarHBondContact O-N 3.42Å
218L98.4Very high93.6Very high0 Ų054.6 Ų54.60%030%0.302CS..Hα-helixtrans-57.3-50.4173.2173.666.9000111.6F187 F203 T214 L215 E221 V222 L251 I267F187-L218 HydrophobicContact CD1-CD1 4.08Å; F187-L218 HydrophobicContact CD1-CD2 4.39Å; F187-L218 HydrophobicContact CD2-CD1 4.48Å; F187-L218 HydrophobicContact CD2-CD2 4.27Å; F187-L218 HydrophobicContact CE1-CD1 3.65Å; F187-L218 HydrophobicContact CE2-CD1 4.1Å; F187-L218 HydrophobicContact CG-CD1 4.49Å; F187-L218 HydrophobicContact CG-CD2 4.17Å; F187-L218 HydrophobicContact CZ-CD1 3.67Å; F203-L218 HydrophobicContact CB-CD1 3.85Å; F203-L218 HydrophobicContact CD1-CB 4.5Å; F203-L218 HydrophobicContact CD1-CD1 3.89Å; F203-L218 HydrophobicContact CD2-CD1 3.73Å; F203-L218 HydrophobicContact CE1-CB 4.2Å; F203-L218 HydrophobicContact CE1-CD1 4.38Å; F203-L218 HydrophobicContact CE2-CB 4.42Å; F203-L218 HydrophobicContact CE2-CD1 4.23Å; F203-L218 HydrophobicContact CG-CD1 3.53Å; F203-L218 HydrophobicContact CZ-CB 4.16Å; T214-L218 PolarHBondContact O-N 2.88Å; L215-L218 PolarHBondContact O-N 3.11Å; L218-E221 PolarHBondContact O-N 2.94Å; L218-V222 HydrophobicContact CD1-CG2 3.69Å; L218-V222 WeakPolarHBondContact O-CB 3.19Å; L218-V222 WeakPolarHBondContact O-CG2 3.36Å; L218-V222 PolarHBondContact O-N 2.98Å; L218-L251 HydrophobicContact CB-CD1 4.45Å; L218-L251 HydrophobicContact CB-CD2 4.01Å; L218-L251 HydrophobicContact CD1-CD2 4.48Å; L218-L251 HydrophobicContact CD2-CD1 3.77Å; L218-L251 HydrophobicContact CD2-CD2 4.15Å; L218-L251 HydrophobicContact CG-CD2 4.44Å; L218-I267 HydrophobicContact CD2-CD1 3.98Å
219L97.3Very high93.1Very high0 Ų051.4 Ų51.40%028%0.28CS..Hα-helixtrans-66.1-40.1-177.6-71.3171.9000111.6I189 L215 G216 D217 E221 V222 Y223 P224 A226 I227 V238 L247I189-L219 HydrophobicContact CD1-CD2 3.99Å; L215-L219 HydrophobicContact CD1-CD1 4.2Å; L215-L219 HydrophobicContact CD1-CG 4.31Å; L215-L219 HydrophobicContact CG-CD1 4.09Å; L215-L219 WeakPolarHBondContact O-CG 3.24Å; L215-L219 PolarHBondContact O-N 2.93Å; G216-L219 PolarHBondContact O-N 3.08Å; D217-L219 PolarHBondContact O-N 3.49Å; L219-E221 VanDerWaalsContact C-N 3.26Å; L219-E221 PolarHBondContact O-N 2.89Å; L219-V222 PolarHBondContact O-N 3.37Å; L219-Y223 CarbonylContact O-C 2.9Å; L219-Y223 WeakPolarHBondContact O-CA 3.35Å; L219-Y223 PolarHBondContact O-N 2.96Å; L219-P224 WeakPolarHBondContact O-CA 3.34Å; L219-A226 HydrophobicContact CD2-CB 4.33Å; L219-I227 HydrophobicContact CB-CD1 3.69Å; L219-I227 HydrophobicContact CB-CG1 3.93Å; L219-I227 HydrophobicContact CD1-CG1 4.49Å; L219-V238 HydrophobicContact CD1-CB 4.42Å; L219-V238 HydrophobicContact CD1-CG1 3.98Å; L219-V238 HydrophobicContact CD1-CG2 3.7Å; L219-L247 HydrophobicContact CD1-CD2 3.8Å
220K96.5Very high92.1Very high126 Ų12653.3 Ų53.355%0.54829%0.29SS..Hα-helixtrans-56.9-40175.2-75.6171.8-169.4165.80111.9G216 D217 P224 I227G216-K220 WeakPolarHBondContact O-CB 3.41Å; G216-K220 VanDerWaalsContact O-CG 3.24Å; G216-K220 WeakPolarHBondContact O-CG 3.42Å; G216-K220 PolarHBondContact O-N 3.38Å; D217-K220 PolarHBondContact O-N 3.33Å; K220-P224 WeakPolarHBondContact O-CB 3.18Å; K220-P224 WeakPolarHBondContact O-CD 3.38Å; K220-P224 WeakPolarHBondContact O-CG 3.46Å; K220-I227 HydrophobicContact CB-CD1 4.22Å; K220-I227 HydrophobicContact CD-CD1 4.48Å; K220-I227 HydrophobicContact CG-CD1 3.38Å
221E96.5Very high91.1Very high117 Ų11758.9 Ų58.955%0.54731%0.308SS..Hα-helixtrans-80-42.9-178.9-172.1178.8141.900112.7F203 D217 L218 L219F203-E221 HydrophobicContact CE2-CB 4.14Å; F203-E221 VanDerWaalsContact CE2-OE2 3.25Å; F203-E221 WeakPolarHBondContact CE2-OE2 3.38Å; D217-E221 PolarHBondContact O-N 3.42Å; L218-E221 PolarHBondContact O-N 2.94Å; L219-E221 VanDerWaalsContact C-N 3.26Å; L219-E221 PolarHBondContact O-N 2.89Å
222V95.3Very high90.3Very high10 Ų1057.7 Ų57.76%0.06131%0.306CS..Hα-helixtrans-93.1-40.5-167.4-178.60000112.4F187 I189 I199 K201 L218 L219F187-V222 HydrophobicContact CE2-CG1 4.17Å; F187-V222 HydrophobicContact CE2-CG2 4.47Å; F187-V222 HydrophobicContact CZ-CG1 4.35Å; F187-V222 HydrophobicContact CZ-CG2 4Å; I189-V222 HydrophobicContact CD1-CB 4.16Å; I189-V222 HydrophobicContact CD1-CG1 3.82Å; I199-V222 HydrophobicContact CB-CG1 4.23Å; I199-V222 HydrophobicContact CG2-CG1 3.37Å; K201-V222 HydrophobicContact CD-CG1 4.26Å; K201-V222 HydrophobicContact CD-CG2 4.38Å; L218-V222 HydrophobicContact CD1-CG2 3.69Å; L218-V222 WeakPolarHBondContact O-CB 3.19Å; L218-V222 WeakPolarHBondContact O-CG2 3.36Å; L218-V222 PolarHBondContact O-N 2.98Å; L219-V222 PolarHBondContact O-N 3.37Å
223Y93.9Very high89.5Confident33 Ų3359.4 Ų59.413%0.12932%0.321CS..  trans-150.869.7-178.5-168.9-108.3000111.8L191 I199 L219 M225 A226 V269L191-Y223 HydrophobicContact CD1-CD2 4.27Å; L191-Y223 HydrophobicContact CD1-CE2 3.66Å; L191-Y223 HydrophobicContact CD2-CD1 4.07Å; L191-Y223 HydrophobicContact CD2-CE1 3.69Å; L191-Y223 HydrophobicContact CD2-CE2 4.25Å; I199-Y223 HydrophobicContact CD1-CD2 3.8Å; I199-Y223 HydrophobicContact CD1-CG 4.23Å; L219-Y223 CarbonylContact O-C 2.9Å; L219-Y223 WeakPolarHBondContact O-CA 3.35Å; L219-Y223 PolarHBondContact O-N 2.96Å; Y223-M225 HydrophobicContact CD2-CE 4.36Å; Y223-M225 HydrophobicContact CE1-CB 4.18Å; Y223-M225 HydrophobicContact CE2-CE 3.43Å; Y223-M225 VanDerWaalsContact CE2-CE 3.43Å; Y223-M225 PolarHBondContact O-N 2.9Å; Y223-M225 WeakPolarHBondContact OH-CE 3.49Å; Y223-A226 HydrophobicContact CD1-CB 3.64Å; Y223-A226 HydrophobicContact CE1-CB 4.07Å; Y223-A226 PolarHBondContact O-N 2.95Å; Y223-V269 HydrophobicContact CD1-CG1 4.49Å; Y223-V269 HydrophobicContact CE1-CG1 4.09Å
224P92.8Very high88.9Confident76 Ų7662.5 Ų62.549%0.49433%0.334SS..G310 helixtrans-60.4-21.1-171.811.4-23.5000114.6L219 K220 A226 I227L219-P224 WeakPolarHBondContact O-CA 3.34Å; K220-P224 WeakPolarHBondContact O-CB 3.18Å; K220-P224 WeakPolarHBondContact O-CD 3.38Å; K220-P224 WeakPolarHBondContact O-CG 3.46Å; P224-A226 PolarHBondContact O-N 3.39Å; P224-I227 PolarHBondContact O-N 3.1Å; P224-I227 VanDerWaalsContact O-N 3.1Å
225M90.2Very high88.4Confident121 Ų12168 Ų6860%0.59635%0.352SS*.G310 helixtrans-64.6-19.4176.6-62.4-170-58.100113.8Y223 I227 Y236Y223-M225 HydrophobicContact CD2-CE 4.36Å; Y223-M225 HydrophobicContact CE1-CB 4.18Å; Y223-M225 HydrophobicContact CE2-CE 3.43Å; Y223-M225 VanDerWaalsContact CE2-CE 3.43Å; Y223-M225 PolarHBondContact O-N 2.9Å; Y223-M225 WeakPolarHBondContact OH-CE 3.49Å; M225-I227 PolarHBondContact O-N 3.24Å; M225-Y236 WeakPolarHBondContact O-CD2 3.19Å; M225-Y236 WeakPolarHBondContact O-CE2 3.36Å
226A89.6Confident88.1Confident6 Ų671.3 Ų71.35%0.0537%0.365CS..G310 helixtrans-69.4-18.1173.500000113.1L219 Y223 P224 V238 V269L219-A226 HydrophobicContact CD2-CB 4.33Å; Y223-A226 HydrophobicContact CD1-CB 3.64Å; Y223-A226 HydrophobicContact CE1-CB 4.07Å; Y223-A226 PolarHBondContact O-N 2.95Å; P224-A226 PolarHBondContact O-N 3.39Å; A226-V238 HydrophobicContact CB-CG2 4.39Å; A226-V269 HydrophobicContact CB-CG1 3.85Å; A226-V269 HydrophobicContact CB-CG2 4.21Å
227I89Confident87.9Confident41 Ų4173.1 Ų73.121%0.2137%0.373CS..SBendtrans-100.8132.3-177.3-52.8172.9000108.3L219 K220 P224 M225 L247L219-I227 HydrophobicContact CB-CD1 3.69Å; L219-I227 HydrophobicContact CB-CG1 3.93Å; L219-I227 HydrophobicContact CD1-CG1 4.49Å; K220-I227 HydrophobicContact CB-CD1 4.22Å; K220-I227 HydrophobicContact CD-CD1 4.48Å; K220-I227 HydrophobicContact CG-CD1 3.38Å; P224-I227 PolarHBondContact O-N 3.1Å; P224-I227 VanDerWaalsContact O-N 3.1Å; M225-I227 PolarHBondContact O-N 3.24Å; I227-L247 HydrophobicContact CG2-CD1 4.14Å
228S82.3Confident87.8Confident31 Ų3171.9 Ų71.922%0.21737%0.366CS..PPolyproline II helixtrans-93.7140.8173.4-47.50000108.7K234 R235S228-K234 WeakPolarHBondContact OG-CA 3.3Å; S228-R235 PolarHBondContact OG-N 3.35Å
229S74.9Confident87.7Confident67 Ų6772.4 Ų72.447%0.46937%0.369SS..PPolyproline II helixtrans-70.4157.1168.449.40000110.4D231 E232S229-D231 PolarHBondContact O-N 3.06Å; S229-E232 PolarHBondContact O-N 3.23Å; S229-E232 WeakPolarHBondContact OG-CG 3.16Å
230D68.8Low87.8Confident173 Ų17372.4 Ų72.493%0.92537%0.37SS*.THydrogen-bonded Turntrans-54.8-24-176-65-21.6000114.3
231D68.1Low87.9Confident168 Ų16867.3 Ų67.390%0.89835%0.347SS*.THydrogen-bonded Turntrans-95.1-3.9178.8-68.9-30.4000114.5S229S229-D231 PolarHBondContact O-N 3.06Å
232E76.6Confident87.9Confident87 Ų8763.4 Ų63.441%0.40734%0.339SS..SBendtrans-107.6141.6-178.4-74.3-165.9156.300112.5S229 K234 R235S229-E232 PolarHBondContact O-N 3.23Å; S229-E232 WeakPolarHBondContact OG-CG 3.16Å; E232-K234 PolarHBondContact O-N 3.19Å; E232-R235 IonicContact OE1-CZ 3.88Å; E232-R235 IonicContact OE1-NH2 3.39Å; E232-R235 PolarHBondContact OE1-NH2 3.33Å; E232-R235 IonicContact OE2-CZ 3.71Å; E232-R235 VanDerWaalsContact OE2-CZ 3.24Å; E232-R235 IonicContact OE2-NE 2.71Å; E232-R235 IonicContact OE2-NH1 3.63Å; E232-R235 IonicContact OE2-NH2 2.79Å; E232-R235 PolarHBondContact OE2-NH2 3.25Å
233S79.7Confident88Confident97 Ų9767.7 Ų67.768%0.67836%0.36SS*.  trans-59.3135.7171.1590000110.8R235S233-R235 PolarHBondContact O-N 2.8Å; S233-R235 VanDerWaalsContact O-N 3.07Å
234K84.5Confident88.1Confident105 Ų10569.7 Ų69.746%0.45737%0.371SS..  trans-55.5112.7178.7-173.2175.3-173167.90111.6S228 E232 Y236 E244 A272S228-K234 WeakPolarHBondContact OG-CA 3.3Å; E232-K234 PolarHBondContact O-N 3.19Å; K234-Y236 WeakPolarHBondContact CE-O 3.47Å; K234-Y236 VanDerWaalsContact CG-O 3.28Å; K234-Y236 WeakPolarHBondContact CG-O 3.05Å; K234-E244 WeakPolarHBondContact CE-OE1 3.48Å; K234-E244 IonicContact NZ-OE1 3.27Å; K234-E244 PolarHBondContact NZ-OE1 3.47Å; K234-E244 IonicContact NZ-OE2 3.92Å; K234-E244 PolarHBondContact NZ-OE2 3.4Å; K234-A272 HydrophobicContact CG-CB 4.44Å; K234-A272 VanDerWaalsContact O-CB 3.22Å; K234-A272 WeakPolarHBondContact O-CB 3.15Å
235R87.9Confident88.3Confident137 Ų13766.8 Ų66.852%0.51735%0.352SS..  trans-86.4-32.4-178.3-63.4-174.1-176.9145.98.8113.4S228 E232 S233 A272S228-R235 PolarHBondContact OG-N 3.35Å; E232-R235 IonicContact OE1-CZ 3.88Å; E232-R235 IonicContact OE1-NH2 3.39Å; E232-R235 PolarHBondContact OE1-NH2 3.33Å; E232-R235 IonicContact OE2-CZ 3.71Å; E232-R235 VanDerWaalsContact OE2-CZ 3.24Å; E232-R235 IonicContact OE2-NE 2.71Å; E232-R235 IonicContact OE2-NH1 3.63Å; E232-R235 IonicContact OE2-NH2 2.79Å; E232-R235 PolarHBondContact OE2-NH2 3.25Å; S233-R235 PolarHBondContact O-N 2.8Å; S233-R235 VanDerWaalsContact O-N 3.07Å; R235-A272 PolarHBondContact O-N 2.89Å
236Y91.9Very high88.7Confident68 Ų6866.5 Ų66.527%0.26735%0.352SS..EExtended strand (participates in β ladder)trans-132150.5-175.1-60.7-78.8000111.1M225 K234 V269 I270M225-Y236 WeakPolarHBondContact O-CD2 3.19Å; M225-Y236 WeakPolarHBondContact O-CE2 3.36Å; K234-Y236 WeakPolarHBondContact CE-O 3.47Å; K234-Y236 VanDerWaalsContact CG-O 3.28Å; K234-Y236 WeakPolarHBondContact CG-O 3.05Å; Y236-V269 HydrophobicContact CD1-CG1 3.87Å; Y236-V269 HydrophobicContact CG-CG1 3.87Å; Y236-I270 CarbonylContact C-O 3.47Å; Y236-I270 WeakPolarHBondContact CA-O 3.33Å
237Q93.5Very high89Confident42 Ų4269.7 Ų69.720%0.19637%0.368CS..EExtended strand (participates in β ladder)trans-102.4141.2164.1-73.3177.9-31.900109.8V239 E244 V269 I270 A272 P273Q237-V239 HydrophobicContact CB-CG2 4.08Å; Q237-E244 WeakPolarHBondContact CA-OE1 3.14Å; Q237-V269 WeakPolarHBondContact O-CA 3.4Å; Q237-I270 HydrophobicContact CB-CD1 4.49Å; Q237-I270 HydrophobicContact CB-CG1 3.93Å; Q237-I270 PolarHBondContact N-O 2.94Å; Q237-I270 PolarHBondContact O-N 3.19Å; Q237-I270 VanDerWaalsContact O-N 3.1Å; Q237-A272 HydrophobicContact CG-CB 4.41Å; Q237-P273 VanDerWaalsContact NE2-CD 3.33Å
238V95.6Very high89.4Confident5 Ų574.6 Ų74.63%0.0339%0.39CS..EExtended strand (participates in β ladder)trans-105.2101.9175.9-1790000108.1L215 L219 A226 E244 I267L215-V238 HydrophobicContact CD2-CG1 4.19Å; L219-V238 HydrophobicContact CD1-CB 4.42Å; L219-V238 HydrophobicContact CD1-CG1 3.98Å; L219-V238 HydrophobicContact CD1-CG2 3.7Å; A226-V238 HydrophobicContact CB-CG2 4.39Å; V238-E244 PolarHBondContact N-OE1 3.1Å; V238-E244 VanDerWaalsContact N-OE1 3.09Å; V238-E244 WeakPolarHBondContact O-CA 3.43Å; V238-E244 WeakPolarHBondContact O-CG 3.26Å; V238-I267 HydrophobicContact CG1-CG2 3.55Å
239V97.5Very high90.2Very high10 Ų1074.3 Ų74.36%0.06139%0.387CS..EExtended strand (participates in β ladder)trans-106.8130.3-170.4-175.80000110.8D88 Q237 I243 S268 I270D88-V239 HydrophobicContact CB-CG1 3.95Å; Q237-V239 HydrophobicContact CB-CG2 4.08Å; V239-I243 WeakPolarHBondContact CA-O 3.45Å; V239-S268 PolarHBondContact N-O 2.88Å; V239-S268 PolarHBondContact O-N 3.05Å; V239-I270 HydrophobicContact CG2-CD1 3.81Å; V239-I270 HydrophobicContact CG2-CG1 4.14Å
240I98.6Very high91.3Very high1 Ų174 Ų741%0.00538%0.383CS..BIsolated β-bridgetrans-133.8121.3172.9-55.6178000107G242 I243 P245 L258 L265 I267I240-G242 PolarHBondContact O-N 3.47Å; I240-I243 PolarHBondContact N-O 3.05Å; I240-I243 WeakPolarHBondContact O-CG1 3.49Å; I240-I243 PolarHBondContact O-N 2.79Å; I240-I243 VanDerWaalsContact O-N 3.16Å; I240-P245 HydrophobicContact CB-CG 4.28Å; I240-P245 HydrophobicContact CD1-CG 4.22Å; I240-P245 HydrophobicContact CG1-CG 4.46Å; I240-L258 HydrophobicContact CB-CD2 4.45Å; I240-L258 HydrophobicContact CG2-CB 4.06Å; I240-L258 HydrophobicContact CG2-CD2 4.02Å; I240-L265 HydrophobicContact CD1-CD1 4.18Å; I240-L265 HydrophobicContact CD1-CD2 4.33Å; I240-L265 HydrophobicContact CD1-CG 4.25Å; I240-L265 HydrophobicContact CG2-CD1 3.94Å; I240-I267 HydrophobicContact CD1-CD1 4.34Å; I240-I267 HydrophobicContact CD1-CG1 3.87Å; I240-I267 HydrophobicContact CD1-CG2 4.35Å; I240-I267 HydrophobicContact CG1-CB 4.35Å; I240-I267 HydrophobicContact CG1-CG1 4.1Å; I240-I267 HydrophobicContact CG1-CG2 4.11Å
241H98.4Very high92.7Very high18 Ų1865.7 Ų65.78%0.08334%0.339CS..THydrogen-bonded Turntrans54.934-176.9-74.6-69.2000114.5V11 D88 I243 L258 H260V11-H241 WeakPolarHBondContact CG1-NE2 3.2Å; D88-H241 PolarHBondContact OD2-N 3.49Å; H241-I243 PolarHBondContact O-N 2.84Å; H241-L258 PolarHBondContact CD2-O 3.41Å; H241-L258 PolarHBondContact NE2-O 2.82Å; H241-L258 VanDerWaalsContact NE2-O 3.07Å; H241-H260 AromaticContact CE1-CD2 3.73Å; H241-H260 AromaticContact CE1-CE1 3.02Å; H241-H260 PolarHBondContact CE1-CE1 3.31Å; H241-H260 AromaticContact CE1-CG 3.72Å; H241-H260 AromaticContact CE1-ND1 3.26Å; H241-H260 PolarHBondContact CE1-ND1 2.84Å; H241-H260 VanDerWaalsContact CE1-ND1 3.26Å; H241-H260 AromaticContact CE1-NE2 3.31Å; H241-H260 PolarHBondContact CE1-NE2 3.28Å; H241-H260 VanDerWaalsContact CE1-NE2 3.31Å; H241-H260 AromaticContact ND1-CE1 3.63Å; H241-H260 AromaticContact ND1-NE2 3.88Å; H241-H260 AromaticContact NE2-CE1 3.31Å; H241-H260 PolarHBondContact NE2-CE1 2.97Å; H241-H260 VanDerWaalsContact NE2-CE1 3.31Å; H241-H260 AromaticContact NE2-CG 3.9Å; H241-H260 AromaticContact NE2-ND1 3.18Å; H241-H260 PolarHBondContact NE2-ND1 2.96Å; H241-H260 VanDerWaalsContact NE2-ND1 3.18Å
242G97.1Very high94.1Very high35 Ų3558.2 Ų58.236%0.36130%0.299SS..THydrogen-bonded Turntrans75.47.5179.100000115D88 I240D88-G242 VanDerWaalsContact OD1-CA 3.28Å; D88-G242 WeakPolarHBondContact OD1-CA 3.4Å; D88-G242 PolarHBondContact OD1-N 3.26Å; D88-G242 PolarHBondContact OD2-N 2.96Å; I240-G242 PolarHBondContact O-N 3.47Å
243I97.2Very high95.1Very high101 Ų10157.6 Ų57.652%0.51829%0.293SS..BIsolated β-bridgetrans-118.5164.317364.2166000110.3V239 I240 H241 P245 L258V239-I243 WeakPolarHBondContact CA-O 3.45Å; I240-I243 PolarHBondContact N-O 3.05Å; I240-I243 WeakPolarHBondContact O-CG1 3.49Å; I240-I243 PolarHBondContact O-N 2.79Å; I240-I243 VanDerWaalsContact O-N 3.16Å; H241-I243 PolarHBondContact O-N 2.84Å; I243-P245 WeakPolarHBondContact O-CD 3.3Å; I243-L258 HydrophobicContact CD1-CD2 4.34Å
244E96.6Very high96Very high74 Ų7453 Ų5335%0.34626%0.261SS..  trans-111.797.4175.8179.6159.1-141.800110.3K234 Q237 V238K234-E244 WeakPolarHBondContact CE-OE1 3.48Å; K234-E244 IonicContact NZ-OE1 3.27Å; K234-E244 PolarHBondContact NZ-OE1 3.47Å; K234-E244 IonicContact NZ-OE2 3.92Å; K234-E244 PolarHBondContact NZ-OE2 3.4Å; Q237-E244 WeakPolarHBondContact CA-OE1 3.14Å; V238-E244 PolarHBondContact N-OE1 3.1Å; V238-E244 VanDerWaalsContact N-OE1 3.09Å; V238-E244 WeakPolarHBondContact O-CA 3.43Å; V238-E244 WeakPolarHBondContact O-CG 3.26Å
245P97.3Very high96.7Very high16 Ų1648 Ų4810%0.10424%0.239CC..  trans-65.2151.3177.5-21.735.1000112L215 I240 I243 L254 L258L215-P245 HydrophobicContact CD2-CB 4.12Å; I240-P245 HydrophobicContact CB-CG 4.28Å; I240-P245 HydrophobicContact CD1-CG 4.22Å; I240-P245 HydrophobicContact CG1-CG 4.46Å; I243-P245 WeakPolarHBondContact O-CD 3.3Å; P245-L254 HydrophobicContact CB-CD2 4.32Å; P245-L254 HydrophobicContact CG-CD2 4.35Å; P245-L258 HydrophobicContact CG-CD2 4.22Å
246L97.1Very high97.2Very high115 Ų11543.1 Ų43.160%0.60222%0.222SC*.  trans-63.4141.4173.6-61176.7000110.2E248 T249L246-E248 HydrophobicContact CB-CG 3.99Å; L246-E248 PolarHBondContact O-N 3.15Å; L246-T249 PolarHBondContact N-OG1 3.31Å; L246-T249 VanDerWaalsContact O-CB 3.23Å; L246-T249 WeakPolarHBondContact O-CB 3.3Å; L246-T249 PolarHBondContact O-N 3.39Å; L246-T249 PolarHBondContact O-OG1 2.95Å
247L96.5Very high97.5Very high72 Ų7241 Ų4138%0.37721%0.214SC..THydrogen-bonded Turntrans-62.4-25.8-179.8-66-177.5000112.8T214 L215 G216 L219 I227 T249T214-L247 VanDerWaalsContact CB-O 3.25Å; T214-L247 WeakPolarHBondContact CB-O 3.28Å; T214-L247 PolarHBondContact OG1-O 3.08Å; L215-L247 HydrophobicContact CD2-CD2 4.48Å; L215-L247 HydrophobicContact CG-CD2 4.39Å; L215-L247 PolarHBondContact N-O 3.49Å; G216-L247 PolarHBondContact N-O 2.94Å; L219-L247 HydrophobicContact CD1-CD2 3.8Å; I227-L247 HydrophobicContact CG2-CD1 4.14Å; L247-T249 PolarHBondContact O-N 3.18Å
248E97.6Very high97.7Very high145 Ų14539.2 Ų39.268%0.67821%0.206SC*.THydrogen-bonded Turntrans-76.9-5175.564.3-168.6-152.900114T214 L246T214-E248 WeakPolarHBondContact CG2-O 3.44Å; L246-E248 HydrophobicContact CB-CG 3.99Å; L246-E248 PolarHBondContact O-N 3.15Å
249T98.3Very high97.9Very high25 Ų2539.5 Ų39.515%0.15321%0.208CC..SBendtrans-61.6128.3-179.4-50.30000110T214 L215 L246 L247 L251 W253 L254T214-T249 CarbonylContact C-O 3.54Å; T214-T249 WeakPolarHBondContact CA-O 3.5Å; L215-T249 PolarHBondContact N-O 3.48Å; L246-T249 PolarHBondContact N-OG1 3.31Å; L246-T249 VanDerWaalsContact O-CB 3.23Å; L246-T249 WeakPolarHBondContact O-CB 3.3Å; L246-T249 PolarHBondContact O-N 3.39Å; L246-T249 PolarHBondContact O-OG1 2.95Å; L247-T249 PolarHBondContact O-N 3.18Å; T249-L251 PolarHBondContact O-N 3.43Å; T249-W253 HydrophobicContact CG2-CE3 3.86Å; T249-W253 HydrophobicContact CG2-CZ3 4.15Å; T249-L254 HydrophobicContact CG2-CD1 4.12Å; T249-L254 HydrophobicContact CG2-CD2 3.87Å; T249-L254 HydrophobicContact CG2-CG 3.73Å
250P98.2Very high97.9Very high59 Ų5939.2 Ų39.238%0.38321%0.206SC..BIsolated β-bridgetrans-58.1128.5178.5-26.635.3000112.3T212 Q252 W253 L254T212-P250 HydrophobicContact CG2-CB 4.05Å; P250-Q252 VanDerWaalsContact C-N 3.33Å; P250-Q252 PolarHBondContact O-N 2.9Å; P250-W253 HydrophobicContact CB-CB 4.16Å; P250-W253 PolarHBondContact O-N 3.45Å; P250-L254 PolarHBondContact O-N 2.95Å
251L98.1Very high98Very high0 Ų039.5 Ų39.50%021%0.208CC..Hα-helixtrans-69.1-33.7-173.8-172.266.7000112.6I185 F203 H213 L218 T249 L254 S255 L265I185-L251 HydrophobicContact CB-CD2 4.22Å; I185-L251 HydrophobicContact CG1-CD2 3.73Å; I185-L251 HydrophobicContact CG1-CG 3.92Å; I185-L251 HydrophobicContact CG2-CD1 4.49Å; I185-L251 HydrophobicContact CG2-CD2 4.3Å; I185-L251 HydrophobicContact CG2-CG 4.2Å; F203-L251 HydrophobicContact CD1-CD2 3.4Å; F203-L251 VanDerWaalsContact CD1-CD2 3.4Å; F203-L251 HydrophobicContact CE1-CD2 3.41Å; F203-L251 VanDerWaalsContact CE1-CD2 3.41Å; H213-L251 WeakPolarHBondContact O-CB 3.34Å; H213-L251 PolarHBondContact O-N 3.35Å; L218-L251 HydrophobicContact CB-CD1 4.45Å; L218-L251 HydrophobicContact CB-CD2 4.01Å; L218-L251 HydrophobicContact CD1-CD2 4.48Å; L218-L251 HydrophobicContact CD2-CD1 3.77Å; L218-L251 HydrophobicContact CD2-CD2 4.15Å; L218-L251 HydrophobicContact CG-CD2 4.44Å; T249-L251 PolarHBondContact O-N 3.43Å; L251-L254 HydrophobicContact CD1-CD1 4.39Å; L251-L254 PolarHBondContact O-N 3.15Å; L251-S255 PolarHBondContact O-N 3.47Å; L251-L265 HydrophobicContact CD1-CD2 4.08Å
252Q97.9Very high98Very high10 Ų1038.8 Ų38.85%0.04721%0.205CC..Hα-helixtrans-58.7-47.9173-178.155.243.500110.9Y175 F182 P205 P250 L254 S255 E256Y175-Q252 HydrophobicContact CE1-CG 4.49Å; F182-Q252 VanDerWaalsContact CD2-NE2 3.28Å; P205-Q252 HydrophobicContact CB-CB 3.93Å; P205-Q252 VanDerWaalsContact CG-OE1 3.31Å; P250-Q252 VanDerWaalsContact C-N 3.33Å; P250-Q252 PolarHBondContact O-N 2.9Å; Q252-L254 PolarHBondContact O-N 2.9Å; Q252-S255 PolarHBondContact O-N 3.21Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.41Å; Q252-E256 PolarHBondContact NE2-OE1 3.31Å; Q252-E256 WeakPolarHBondContact O-CG 3.37Å; Q252-E256 PolarHBondContact O-N 3.02Å
253W97.8Very high98.1Very high75 Ų7537.1 Ų37.128%0.28419%0.188SC..Hα-helixtrans-63.5-41.5178.1-177.193.4000111.7D4 V7 T249 P250 S255 E256 H257 L258D4-W253 PolarHBondContact OD1-NE1 2.96Å; V7-W253 HydrophobicContact CG1-CH2 4.1Å; V7-W253 HydrophobicContact CG1-CZ2 4.36Å; V7-W253 HydrophobicContact CG2-CZ2 4.35Å; T249-W253 HydrophobicContact CG2-CE3 3.86Å; T249-W253 HydrophobicContact CG2-CZ3 4.15Å; P250-W253 HydrophobicContact CB-CB 4.16Å; P250-W253 PolarHBondContact O-N 3.45Å; W253-S255 VanDerWaalsContact C-N 3.31Å; W253-S255 PolarHBondContact O-N 3.36Å; W253-E256 PolarHBondContact O-N 3.17Å; W253-H257 AromaticContact CD1-CE1 3.39Å; W253-H257 AromaticContact CD1-ND1 3.3Å; W253-H257 VanDerWaalsContact CD1-ND1 3.3Å; W253-H257 HydrophobicContact CD2-CB 4.38Å; W253-H257 AromaticContact CD2-ND1 3.67Å; W253-H257 AromaticContact CE2-CG 3.77Å; W253-H257 AromaticContact CE2-ND1 3.53Å; W253-H257 AromaticContact CG-ND1 3.53Å; W253-H257 HydrophobicContact CH2-CB 4.27Å; W253-H257 HydrophobicContact CZ2-CB 4.08Å; W253-H257 AromaticContact NE1-CE1 3.44Å; W253-H257 PolarHBondContact NE1-CE1 2.89Å; W253-H257 AromaticContact NE1-CG 3.84Å; W253-H257 AromaticContact NE1-ND1 3.3Å; W253-H257 PolarHBondContact NE1-ND1 3.29Å; W253-H257 WeakPolarHBondContact O-CB 3.17Å; W253-H257 PolarHBondContact O-N 2.71Å; W253-H257 PolarHBondContact O-ND1 2.8Å; W253-L258 HydrophobicContact CE3-CD1 4.36Å; W253-L258 HydrophobicContact CH2-CD1 3.72Å; W253-L258 HydrophobicContact CZ3-CD1 3.48Å; W253-L258 VanDerWaalsContact CZ3-CD1 3.48Å
254L98.6Very high98.1Very high1 Ų132.3 Ų32.31%0.00516%0.163CC..Hα-helixtrans-59.2-42.5173.9-75.1172.5000112L215 P245 T249 P250 L251 Q252 E256 H257 L258 S259 L265L215-L254 HydrophobicContact CB-CD1 3.81Å; L215-L254 HydrophobicContact CD1-CD1 4.33Å; L215-L254 HydrophobicContact CD2-CD1 4.19Å; L215-L254 HydrophobicContact CG-CD1 4.33Å; P245-L254 HydrophobicContact CB-CD2 4.32Å; P245-L254 HydrophobicContact CG-CD2 4.35Å; T249-L254 HydrophobicContact CG2-CD1 4.12Å; T249-L254 HydrophobicContact CG2-CD2 3.87Å; T249-L254 HydrophobicContact CG2-CG 3.73Å; P250-L254 PolarHBondContact O-N 2.95Å; L251-L254 HydrophobicContact CD1-CD1 4.39Å; L251-L254 PolarHBondContact O-N 3.15Å; Q252-L254 PolarHBondContact O-N 2.9Å; L254-E256 VanDerWaalsContact C-N 3.32Å; L254-E256 PolarHBondContact O-N 3.03Å; L254-H257 PolarHBondContact O-N 3.33Å; L254-L258 HydrophobicContact CD2-CB 4.31Å; L254-L258 HydrophobicContact CD2-CD1 4.19Å; L254-L258 HydrophobicContact CD2-CD2 3.78Å; L254-L258 HydrophobicContact CD2-CG 4.32Å; L254-L258 CarbonylContact O-C 3.56Å; L254-L258 WeakPolarHBondContact O-CA 3.34Å; L254-L258 PolarHBondContact O-N 3.19Å; L254-S259 PolarHBondContact O-N 2.97Å; L254-L265 HydrophobicContact CB-CD1 4.38Å; L254-L265 HydrophobicContact CB-CD2 3.93Å
255S98.6Very high98.2Very high0 Ų028.8 Ų28.80%015%0.146CC..Hα-helixtrans-65.7-34.9178.3-169.90000112.4L251 Q252 W253 S259L251-S255 PolarHBondContact O-N 3.47Å; Q252-S255 PolarHBondContact O-N 3.21Å; W253-S255 VanDerWaalsContact C-N 3.31Å; W253-S255 PolarHBondContact O-N 3.36Å; S255-S259 VanDerWaalsContact O-CB 3.26Å; S255-S259 WeakPolarHBondContact O-CB 3.28Å; S255-S259 PolarHBondContact O-OG 3.31Å
256E98.2Very high98.3Very high34 Ų3428.2 Ų28.216%0.15914%0.143CC..Hα-helixtrans-72.4-38.3176.1-71.3165.9-159.500112.8Y175 F182 Q252 W253 L254Y175-E256 WeakPolarHBondContact CE1-OE1 3.46Å; Y175-E256 VanDerWaalsContact CZ-OE1 3.31Å; Y175-E256 PolarHBondContact OH-OE1 2.9Å; F182-E256 HydrophobicContact CE2-CG 4.2Å; F182-E256 HydrophobicContact CZ-CG 4.06Å; Q252-E256 WeakPolarHBondContact CG-OE1 3.41Å; Q252-E256 PolarHBondContact NE2-OE1 3.31Å; Q252-E256 WeakPolarHBondContact O-CG 3.37Å; Q252-E256 PolarHBondContact O-N 3.02Å; W253-E256 PolarHBondContact O-N 3.17Å; L254-E256 VanDerWaalsContact C-N 3.32Å; L254-E256 PolarHBondContact O-N 3.03Å
257H98.6Very high98.4Very high23 Ų2322.8 Ų22.811%0.10611%0.114CC..Hα-helixtrans-111.4-27-164.3-58.389.1000115.7V7 L8 W253 L254V7-H257 HydrophobicContact CG1-CB 4.18Å; L8-H257 HydrophobicContact CD2-CB 4.14Å; W253-H257 AromaticContact CD1-CE1 3.39Å; W253-H257 AromaticContact CD1-ND1 3.3Å; W253-H257 VanDerWaalsContact CD1-ND1 3.3Å; W253-H257 HydrophobicContact CD2-CB 4.38Å; W253-H257 AromaticContact CD2-ND1 3.67Å; W253-H257 AromaticContact CE2-CG 3.77Å; W253-H257 AromaticContact CE2-ND1 3.53Å; W253-H257 AromaticContact CG-ND1 3.53Å; W253-H257 HydrophobicContact CH2-CB 4.27Å; W253-H257 HydrophobicContact CZ2-CB 4.08Å; W253-H257 AromaticContact NE1-CE1 3.44Å; W253-H257 PolarHBondContact NE1-CE1 2.89Å; W253-H257 AromaticContact NE1-CG 3.84Å; W253-H257 AromaticContact NE1-ND1 3.3Å; W253-H257 PolarHBondContact NE1-ND1 3.29Å; W253-H257 WeakPolarHBondContact O-CB 3.17Å; W253-H257 PolarHBondContact O-N 2.71Å; W253-H257 PolarHBondContact O-ND1 2.8Å; L254-H257 PolarHBondContact O-N 3.33Å
258L98.8Very high98.4Very high5 Ų519.4 Ų19.43%0.02610%0.096CC..SBendtrans-116.66.9-177.4-81.275.6000112.8V7 V11 I240 H241 I243 P245 W253 L254 L265V7-L258 HydrophobicContact CG1-CD1 3.93Å; V11-L258 HydrophobicContact CG2-CG 4.31Å; I240-L258 HydrophobicContact CB-CD2 4.45Å; I240-L258 HydrophobicContact CG2-CB 4.06Å; I240-L258 HydrophobicContact CG2-CD2 4.02Å; H241-L258 PolarHBondContact CD2-O 3.41Å; H241-L258 PolarHBondContact NE2-O 2.82Å; H241-L258 VanDerWaalsContact NE2-O 3.07Å; I243-L258 HydrophobicContact CD1-CD2 4.34Å; P245-L258 HydrophobicContact CG-CD2 4.22Å; W253-L258 HydrophobicContact CE3-CD1 4.36Å; W253-L258 HydrophobicContact CH2-CD1 3.72Å; W253-L258 HydrophobicContact CZ3-CD1 3.48Å; W253-L258 VanDerWaalsContact CZ3-CD1 3.48Å; L254-L258 HydrophobicContact CD2-CB 4.31Å; L254-L258 HydrophobicContact CD2-CD1 4.19Å; L254-L258 HydrophobicContact CD2-CD2 3.78Å; L254-L258 HydrophobicContact CD2-CG 4.32Å; L254-L258 CarbonylContact O-C 3.56Å; L254-L258 WeakPolarHBondContact O-CA 3.34Å; L254-L258 PolarHBondContact O-N 3.19Å; L258-L265 HydrophobicContact CB-CD1 3.97Å; L258-L265 WeakPolarHBondContact O-CD1 3.39Å
259S98.8Very high98.3Very high10 Ų1012.6 Ų12.67%0.077%0.065CC..  trans-67.8145.7167.2-67.20000110.8L254 S255 F264L254-S259 PolarHBondContact O-N 2.97Å; S255-S259 VanDerWaalsContact O-CB 3.26Å; S255-S259 WeakPolarHBondContact O-CB 3.28Å; S255-S259 PolarHBondContact O-OG 3.31Å; S259-F264 WeakPolarHBondContact CA-O 3.42Å
260H98.8Very high98.1Very high4 Ų411.5 Ų11.52%0.0196%0.058CC..  trans-67.5168.1169.1-78.666.4000110.8P82 H241 D262 N263 F264 H266P82-H260 WeakPolarHBondContact CB-CD2 3.36Å; H241-H260 AromaticContact CE1-CD2 3.73Å; H241-H260 AromaticContact CE1-CE1 3.02Å; H241-H260 PolarHBondContact CE1-CE1 3.31Å; H241-H260 AromaticContact CE1-CG 3.72Å; H241-H260 AromaticContact CE1-ND1 3.26Å; H241-H260 PolarHBondContact CE1-ND1 2.84Å; H241-H260 VanDerWaalsContact CE1-ND1 3.26Å; H241-H260 AromaticContact CE1-NE2 3.31Å; H241-H260 PolarHBondContact CE1-NE2 3.28Å; H241-H260 VanDerWaalsContact CE1-NE2 3.31Å; H241-H260 AromaticContact ND1-CE1 3.63Å; H241-H260 AromaticContact ND1-NE2 3.88Å; H241-H260 AromaticContact NE2-CE1 3.31Å; H241-H260 PolarHBondContact NE2-CE1 2.97Å; H241-H260 VanDerWaalsContact NE2-CE1 3.31Å; H241-H260 AromaticContact NE2-CG 3.9Å; H241-H260 AromaticContact NE2-ND1 3.18Å; H241-H260 PolarHBondContact NE2-ND1 2.96Å; H241-H260 VanDerWaalsContact NE2-ND1 3.18Å; H260-D262 VanDerWaalsContact CB-OD1 3.29Å; H260-D262 WeakPolarHBondContact CB-OD1 3.25Å; H260-D262 PolarHBondContact O-N 3.42Å; H260-N263 WeakPolarHBondContact O-CA 3.49Å; H260-N263 PolarHBondContact O-N 2.87Å; H260-F264 PolarHBondContact N-O 3.38Å; H260-H266 AromaticContact CG-CD2 3.61Å; H260-H266 AromaticContact ND1-CD2 3.52Å
261P98.8Very high97.7Very high7 Ų711.3 Ų11.35%0.0456%0.057CC..THydrogen-bonded Turntrans-56.8-22.3177.9-29.638.4000114.3W12 V42 F125 L157 F165 N263W12-P261 HydrophobicContact CE3-CG 4.24Å; W12-P261 HydrophobicContact CZ3-CB 4.3Å; W12-P261 HydrophobicContact CZ3-CG 3.82Å; V42-P261 HydrophobicContact CB-CG 3.74Å; V42-P261 HydrophobicContact CG1-CG 4.4Å; V42-P261 HydrophobicContact CG2-CG 4.27Å; F125-P261 HydrophobicContact CE2-CB 3.94Å; F125-P261 WeakPolarHBondContact CE2-O 3.37Å; F125-P261 HydrophobicContact CZ-CB 4.39Å; L157-P261 HydrophobicContact CD1-CB 4.13Å; L157-P261 HydrophobicContact CD1-CG 4.01Å; F165-P261 HydrophobicContact CE1-CB 4.16Å; F165-P261 HydrophobicContact CE2-CB 3.96Å; F165-P261 HydrophobicContact CZ-CB 3.64Å; F165-P261 WeakPolarHBondContact CZ-O 3.43Å; P261-N263 PolarHBondContact O-N 2.97Å; P261-N263 PolarHBondContact O-ND2 2.95Å; P261-N263 VanDerWaalsContact O-ND2 3.14Å
262D98.7Very high97.2Very high3 Ų312.4 Ų12.42%0.0167%0.065CC..THydrogen-bonded Turntrans-752173.566.63000113.9F125 S128 H260 F264 H266F125-D262 HydrophobicContact CD2-CB 4.27Å; F125-D262 HydrophobicContact CE2-CB 4.4Å; S128-D262 CarbonylContact C-O 3.6Å; H260-D262 VanDerWaalsContact CB-OD1 3.29Å; H260-D262 WeakPolarHBondContact CB-OD1 3.25Å; H260-D262 PolarHBondContact O-N 3.42Å; D262-F264 VanDerWaalsContact C-N 3.27Å; D262-F264 PolarHBondContact O-N 2.77Å; D262-F264 PolarHBondContact OD1-N 3.43Å; D262-H266 IonicContact OD1-NE2 2.84Å; D262-H266 PolarHBondContact OD1-NE2 2.91Å; D262-H266 IonicContact OD2-CD2 3.62Å; D262-H266 IonicContact OD2-CE1 3.05Å; D262-H266 IonicContact OD2-NE2 2.73Å; D262-H266 PolarHBondContact OD2-NE2 3.21Å
263N98.8Very high96.3Very high0 Ų015.1 Ų15.10%08%0.084CC..SBendtrans68.816.4179.7-73.9-144.2000114.6A132 K136 N169 L172 M173 P186 H260 P261A132-N263 HydrophobicContact CB-CB 3.52Å; K136-N263 PolarHBondContact NZ-OD1 3.19Å; N169-N263 PolarHBondContact OD1-ND2 3.05Å; L172-N263 WeakPolarHBondContact CB-OD1 3.44Å; M173-N263 HydrophobicContact CE-CB 4.21Å; M173-N263 VanDerWaalsContact CE-CG 3.49Å; M173-N263 WeakPolarHBondContact CE-OD1 3.23Å; P186-N263 WeakPolarHBondContact CB-O 3.34Å; H260-N263 WeakPolarHBondContact O-CA 3.49Å; H260-N263 PolarHBondContact O-N 2.87Å; P261-N263 PolarHBondContact O-N 2.97Å; P261-N263 PolarHBondContact O-ND2 2.95Å; P261-N263 VanDerWaalsContact O-ND2 3.14Å
264F98.9Very high94.8Very high0 Ų017.2 Ų17.20%011%0.11CC..  trans-101.7139.5171.6-85.3-94.1000112.1S128 E131 A132 L135 P186 R188 S259 H260 D262 H266S128-F264 WeakPolarHBondContact O-CE2 3.42Å; E131-F264 HydrophobicContact CB-CE2 4.18Å; E131-F264 HydrophobicContact CB-CZ 4.25Å; E131-F264 HydrophobicContact CG-CE2 4.32Å; E131-F264 HydrophobicContact CG-CZ 3.88Å; A132-F264 HydrophobicContact CB-CD2 3.97Å; A132-F264 HydrophobicContact CB-CE2 3.76Å; A132-F264 HydrophobicContact CB-CZ 4.45Å; L135-F264 HydrophobicContact CD1-CE1 4.31Å; L135-F264 HydrophobicContact CD1-CZ 4.3Å; P186-F264 HydrophobicContact CB-CD1 3.85Å; P186-F264 HydrophobicContact CB-CD2 4.45Å; P186-F264 HydrophobicContact CB-CE1 3.89Å; P186-F264 HydrophobicContact CB-CE2 4.48Å; P186-F264 HydrophobicContact CB-CG 4.14Å; P186-F264 HydrophobicContact CB-CZ 4.21Å; R188-F264 HydrophobicContact CG-CD1 3.96Å; R188-F264 HydrophobicContact CG-CE1 4.21Å; S259-F264 WeakPolarHBondContact CA-O 3.42Å; H260-F264 PolarHBondContact N-O 3.38Å; D262-F264 VanDerWaalsContact C-N 3.27Å; D262-F264 PolarHBondContact O-N 2.77Å; D262-F264 PolarHBondContact OD1-N 3.43Å; F264-H266 PolarHBondContact O-N 3.2Å
265L98.8Very high92.7Very high0 Ų028.4 Ų28.40%017%0.17CC..EExtended strand (participates in β ladder)trans-83.299.6165-166.866.8000108.6P186 F187 R188 I240 L251 L254 L258 I267P186-L265 PolarHBondContact O-N 3.43Å; F187-L265 CarbonylContact C-O 3.51Å; F187-L265 VanDerWaalsContact CA-O 3.26Å; F187-L265 WeakPolarHBondContact CA-O 3.15Å; F187-L265 HydrophobicContact CB-CB 4.16Å; R188-L265 PolarHBondContact N-O 3.47Å; I240-L265 HydrophobicContact CD1-CD1 4.18Å; I240-L265 HydrophobicContact CD1-CD2 4.33Å; I240-L265 HydrophobicContact CD1-CG 4.25Å; I240-L265 HydrophobicContact CG2-CD1 3.94Å; L251-L265 HydrophobicContact CD1-CD2 4.08Å; L254-L265 HydrophobicContact CB-CD1 4.38Å; L254-L265 HydrophobicContact CB-CD2 3.93Å; L258-L265 HydrophobicContact CB-CD1 3.97Å; L258-L265 WeakPolarHBondContact O-CD1 3.39Å; L265-I267 HydrophobicContact CD2-CD1 4.04Å; L265-I267 HydrophobicContact CD2-CG1 4.36Å; L265-I267 HydrophobicContact CG-CD1 4.26Å; L265-I267 HydrophobicContact CG-CG1 4.04Å
266H98.8Very high92.4Very high5 Ų529.8 Ų29.82%0.02318%0.178CC..EExtended strand (participates in β ladder)trans-86.6117.7176.6-62.2-60.5000109.6L85 Y190 H260 D262 F264L85-H266 HydrophobicContact CD1-CB 4.31Å; L85-H266 HydrophobicContact CD2-CB 4.24Å; Y190-H266 HydrophobicContact CD2-CB 4.49Å; Y190-H266 HydrophobicContact CE2-CB 3.84Å; Y190-H266 AromaticContact CE2-CG 4Å; Y190-H266 AromaticContact CE2-ND1 3.43Å; Y190-H266 WeakPolarHBondContact CE2-ND1 3.29Å; Y190-H266 AromaticContact CZ-ND1 3.64Å; Y190-H266 PolarHBondContact OH-CE1 2.96Å; Y190-H266 PolarHBondContact OH-ND1 3.15Å; H260-H266 AromaticContact CG-CD2 3.61Å; H260-H266 AromaticContact ND1-CD2 3.52Å; D262-H266 IonicContact OD1-NE2 2.84Å; D262-H266 PolarHBondContact OD1-NE2 2.91Å; D262-H266 IonicContact OD2-CD2 3.62Å; D262-H266 IonicContact OD2-CE1 3.05Å; D262-H266 IonicContact OD2-NE2 2.73Å; D262-H266 PolarHBondContact OD2-NE2 3.21Å; F264-H266 PolarHBondContact O-N 3.2Å
267I98.6Very high92.1Very high0 Ų029.6 Ų29.60%018%0.179CC..EExtended strand (participates in β ladder)trans-118.2115.3-172.7-49.7176.7000108.7R188 I189 Y190 L215 L218 V238 I240 L265R188-I267 PolarHBondContact O-N 3.26Å; I189-I267 CarbonylContact C-O 3.56Å; I189-I267 WeakPolarHBondContact CA-O 3.3Å; I189-I267 HydrophobicContact CG1-CB 4.36Å; I189-I267 HydrophobicContact CG1-CD1 4.34Å; Y190-I267 PolarHBondContact N-O 3.09Å; L215-I267 HydrophobicContact CD1-CD1 4.15Å; L218-I267 HydrophobicContact CD2-CD1 3.98Å; V238-I267 HydrophobicContact CG1-CG2 3.55Å; I240-I267 HydrophobicContact CD1-CD1 4.34Å; I240-I267 HydrophobicContact CD1-CG1 3.87Å; I240-I267 HydrophobicContact CD1-CG2 4.35Å; I240-I267 HydrophobicContact CG1-CB 4.35Å; I240-I267 HydrophobicContact CG1-CG1 4.1Å; I240-I267 HydrophobicContact CG1-CG2 4.11Å; L265-I267 HydrophobicContact CD2-CD1 4.04Å; L265-I267 HydrophobicContact CD2-CG1 4.36Å; L265-I267 HydrophobicContact CG-CD1 4.26Å; L265-I267 HydrophobicContact CG-CG1 4.04Å
268S97.4Very high91.8Very high1 Ų129.9 Ų29.91%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-90.4125.2174.4-670000109.7L85 V239L85-S268 WeakPolarHBondContact CD1-OG 3.26Å; V239-S268 PolarHBondContact N-O 2.88Å; V239-S268 PolarHBondContact O-N 3.05Å
269V95.1Very high91.4Very high2 Ų231.4 Ų31.41%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-105.8107.8168.1-178.50000107.5I189 Y190 L191 Y223 A226 Y236 Q237I189-V269 HydrophobicContact CG2-CG2 3.65Å; Y190-V269 PolarHBondContact O-N 3.18Å; L191-V269 HydrophobicContact CD2-CB 3.74Å; L191-V269 HydrophobicContact CD2-CG1 4.28Å; L191-V269 HydrophobicContact CD2-CG2 4.2Å; Y223-V269 HydrophobicContact CD1-CG1 4.49Å; Y223-V269 HydrophobicContact CE1-CG1 4.09Å; A226-V269 HydrophobicContact CB-CG1 3.85Å; A226-V269 HydrophobicContact CB-CG2 4.21Å; Y236-V269 HydrophobicContact CD1-CG1 3.87Å; Y236-V269 HydrophobicContact CG-CG1 3.87Å; Q237-V269 WeakPolarHBondContact O-CA 3.4Å
270I93.4Very high90.9Very high3 Ų332.8 Ų32.82%0.01520%0.2CC..EExtended strand (participates in β ladder)trans-117.1152.4-175.864.6177.9000110S92 T192 Y236 Q237 V239 A272S92-I270 WeakPolarHBondContact OG-CD1 3.44Å; T192-I270 HydrophobicContact CG2-CG2 3.88Å; Y236-I270 CarbonylContact C-O 3.47Å; Y236-I270 WeakPolarHBondContact CA-O 3.33Å; Q237-I270 HydrophobicContact CB-CD1 4.49Å; Q237-I270 HydrophobicContact CB-CG1 3.93Å; Q237-I270 PolarHBondContact N-O 2.94Å; Q237-I270 PolarHBondContact O-N 3.19Å; Q237-I270 VanDerWaalsContact O-N 3.1Å; V239-I270 HydrophobicContact CG2-CD1 3.81Å; V239-I270 HydrophobicContact CG2-CG1 4.14Å; I270-A272 PolarHBondContact O-N 2.46Å
271P90.7Very high90.4Very high55 Ų5534.7 Ų34.736%0.35721%0.212SC..EExtended strand (participates in β ladder)trans-54.6136.7172.2-23.833.9000110.7
272A86.7Confident89.8Confident22 Ų2236.6 Ų36.618%0.18222%0.224CC..PPolyproline II helixtrans-61.8142.9173.200000109.8K234 R235 Q237 I270 S274K234-A272 HydrophobicContact CG-CB 4.44Å; K234-A272 VanDerWaalsContact O-CB 3.22Å; K234-A272 WeakPolarHBondContact O-CB 3.15Å; R235-A272 PolarHBondContact O-N 2.89Å; Q237-A272 HydrophobicContact CG-CB 4.41Å; I270-A272 PolarHBondContact O-N 2.46Å; A272-S274 PolarHBondContact O-N 3.28Å
273P79.4Confident89.1Confident67 Ų6739.2 Ų39.244%0.43524%0.24SC..PPolyproline II helixtrans-53.2135.5174.1-23.531.7000110.2Q237Q237-P273 VanDerWaalsContact NE2-CD 3.33Å
274S67.4Low88.3Confident119 Ų11942.5 Ų42.583%0.83226%0.26SS*.PPolyproline II helixtrans-77.2120.1166.4-38.20000106.8A272A272-S274 PolarHBondContact O-N 3.28Å
275D54Low87.3Confident236 Ų23646.4 Ų46.4100%1.26228%0.284SS*.  trans-58.70168.9-75.4-29.7000111.7

Retrieved 275 of 275 residues in 97.4 ms (Link to these results)

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