A0A077YYW7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YYW7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 385 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
1M69.1Low83.5Confident31 Ų3154.5 Ų54.515%0.15325%0.249CC..  0-37.40-91.9-70.2-100.800115.8H3 L4 L5 V173 W176 V178 L385M1-H3 VanDerWaalsContact C-N 3.32Å; M1-H3 PolarHBondContact O-N 3.32Å; M1-L4 PolarHBondContact O-N 2.7Å; M1-L4 VanDerWaalsContact O-N 3.11Å; M1-L4 HydrophobicContact SD-CB 4.39Å; M1-L4 HydrophobicContact SD-CD2 4.22Å; M1-L5 PolarHBondContact O-N 2.82Å; M1-V173 HydrophobicContact CE-CG1 3.96Å; M1-W176 HydrophobicContact CB-CE3 4.45Å; M1-W176 WeakPolarHBondContact CB-O 3.39Å; M1-W176 WeakPolarHBondContact CG-O 3.44Å; M1-V178 HydrophobicContact CE-CG2 4.13Å; M1-V178 HydrophobicContact CG-CG2 4.47Å; M1-V178 HydrophobicContact SD-CG2 3.55Å; M1-V178 VanDerWaalsContact SD-CG2 3.55Å; M1-L385 PolarHBondContact N-OXT 3.42Å
2D77.2Confident84.1Confident93 Ų9365.3 Ų65.350%0.49729%0.286SS..Hα-helixtrans-58.9-39.5-175.3-67.5-21.6000113.7L5 K6D2-L5 PolarHBondContact O-N 3.04Å; D2-K6 WeakPolarHBondContact O-CB 3.48Å; D2-K6 VanDerWaalsContact O-CG 3.24Å; D2-K6 WeakPolarHBondContact O-CG 3.48Å; D2-K6 PolarHBondContact O-N 3.13Å
3H79.3Confident84.5Confident69 Ų6960.9 Ų60.932%0.31927%0.268SS..Hα-helixtrans-64-41.5175.4-66.6-85.6000112.4M1 K6 A7 F207 F356M1-H3 VanDerWaalsContact C-N 3.32Å; M1-H3 PolarHBondContact O-N 3.32Å; H3-K6 WeakPolarHBondContact O-CB 3.4Å; H3-K6 PolarHBondContact O-N 3.1Å; H3-A7 WeakPolarHBondContact O-CB 3.38Å; H3-A7 PolarHBondContact O-N 3.23Å; H3-F207 HydrophobicContact CB-CE1 3.75Å; H3-F207 HydrophobicContact CB-CZ 4Å; H3-F356 AromaticContact CD2-CE2 3.91Å; H3-F356 AromaticContact CD2-CZ 3.65Å; H3-F356 AromaticContact CE1-CE2 3.94Å; H3-F356 AromaticContact NE2-CE2 3.53Å; H3-F356 AromaticContact NE2-CZ 3.77Å
4L83.8Confident85Confident8 Ų863.7 Ų63.74%0.04229%0.287CS..Hα-helixtrans-65.8-40.7177.5-167.7146.6000111.2M1 A7 C8 V15 L18 I384M1-L4 PolarHBondContact O-N 2.7Å; M1-L4 VanDerWaalsContact O-N 3.11Å; M1-L4 HydrophobicContact SD-CB 4.39Å; M1-L4 HydrophobicContact SD-CD2 4.22Å; L4-A7 PolarHBondContact O-N 2.82Å; L4-C8 WeakPolarHBondContact O-CB 3.28Å; L4-C8 PolarHBondContact O-N 3.48Å; L4-C8 PolarHBondContact O-SG 2.82Å; L4-V15 HydrophobicContact CD2-CB 4.32Å; L4-V15 HydrophobicContact CD2-CG1 3.87Å; L4-V15 HydrophobicContact CD2-CG2 3.83Å; L4-L18 HydrophobicContact CD1-CD2 4.36Å; L4-L18 HydrophobicContact CD2-CD2 4Å; L4-L18 HydrophobicContact CG-CD2 3.78Å; L4-I384 HydrophobicContact CD1-CG2 4.42Å
5L84.9Confident85.4Confident62 Ų6261.5 Ų61.533%0.32528%0.28SS..Hα-helixtrans-66.9-37.3173.9-69176.8000112.4M1 D2 C8 R9 V15M1-L5 PolarHBondContact O-N 2.82Å; D2-L5 PolarHBondContact O-N 3.04Å; L5-C8 WeakPolarHBondContact O-CB 3.34Å; L5-C8 PolarHBondContact O-N 3.5Å; L5-R9 WeakPolarHBondContact O-CG 3.5Å; L5-R9 PolarHBondContact O-N 3.43Å; L5-V15 HydrophobicContact CD2-CG2 3.92Å
6K85.2Confident85.9Confident102 Ų10263.1 Ų63.144%0.44329%0.288SS..Hα-helixtrans-62.6-45.5172.3-75.2172-177.5179.80111.3D2 H3 C8 R9 L10 L214D2-K6 WeakPolarHBondContact O-CB 3.48Å; D2-K6 VanDerWaalsContact O-CG 3.24Å; D2-K6 WeakPolarHBondContact O-CG 3.48Å; D2-K6 PolarHBondContact O-N 3.13Å; H3-K6 WeakPolarHBondContact O-CB 3.4Å; H3-K6 PolarHBondContact O-N 3.1Å; K6-C8 PolarHBondContact O-N 3.06Å; K6-R9 PolarHBondContact O-N 3.33Å; K6-L10 WeakPolarHBondContact O-CB 3.38Å; K6-L10 PolarHBondContact O-N 3.46Å; K6-L214 HydrophobicContact CB-CD2 4.08Å
7A86.3Confident86.3Confident0 Ų060.1 Ų60.10%028%0.275CS..Hα-helixtrans-59.9-45.4174.600000111.3H3 L4 R9 L10 L11 F207 I210H3-A7 WeakPolarHBondContact O-CB 3.38Å; H3-A7 PolarHBondContact O-N 3.23Å; L4-A7 PolarHBondContact O-N 2.82Å; A7-R9 VanDerWaalsContact C-N 3.35Å; A7-R9 PolarHBondContact O-N 2.85Å; A7-L10 PolarHBondContact O-N 3.44Å; A7-L11 WeakPolarHBondContact O-CB 3.46Å; A7-L11 WeakPolarHBondContact O-CG 3.38Å; A7-L11 PolarHBondContact O-N 3.12Å; A7-F207 HydrophobicContact CB-CE1 4.37Å; A7-I210 HydrophobicContact CB-CD1 3.85Å
8C88.3Confident86.8Confident8 Ų856.8 Ų56.85%0.05426%0.26CS..Hα-helixtrans-56.6-45.3174.4-72.50000112.2L4 L5 K6 L11 R12 C13L4-C8 WeakPolarHBondContact O-CB 3.28Å; L4-C8 PolarHBondContact O-N 3.48Å; L4-C8 PolarHBondContact O-SG 2.82Å; L5-C8 WeakPolarHBondContact O-CB 3.34Å; L5-C8 PolarHBondContact O-N 3.5Å; K6-C8 PolarHBondContact O-N 3.06Å; C8-L11 PolarHBondContact O-N 3.37Å; C8-R12 CarbonylContact O-C 3.58Å; C8-R12 WeakPolarHBondContact O-CA 3.49Å; C8-R12 PolarHBondContact O-N 2.96Å; C8-C13 VanDerWaalsContact CB-O 3.23Å; C8-C13 WeakPolarHBondContact CB-O 3.29Å; C8-C13 PolarHBondContact O-N 3.31Å
9R88.1Confident87.2Confident195 Ų19553.8 Ų53.874%0.73625%0.246SC*.Hα-helixtrans-64-42.9176.7-72.8176.4-172.51734112.4L5 K6 A7 R12L5-R9 WeakPolarHBondContact O-CG 3.5Å; L5-R9 PolarHBondContact O-N 3.43Å; K6-R9 PolarHBondContact O-N 3.33Å; A7-R9 VanDerWaalsContact C-N 3.35Å; A7-R9 PolarHBondContact O-N 2.85Å; R9-R12 PolarHBondContact O-N 3.36Å
10L88Confident87.6Confident21 Ų2151.2 Ų51.211%0.1123%0.234CC..Hα-helixtrans-65.9-41.4179.9-174.9142.4000111.7K6 A7 R12 I210 R213 L214 L217K6-L10 WeakPolarHBondContact O-CB 3.38Å; K6-L10 PolarHBondContact O-N 3.46Å; A7-L10 PolarHBondContact O-N 3.44Å; L10-R12 VanDerWaalsContact C-N 3.29Å; L10-I210 HydrophobicContact CD1-CG2 4.19Å; L10-I210 HydrophobicContact CD2-CG2 4.14Å; L10-R213 HydrophobicContact CD1-CB 3.8Å; L10-L214 HydrophobicContact CD1-CD2 3.99Å; L10-L217 HydrophobicContact CD1-CD1 4.13Å; L10-L217 HydrophobicContact CD1-CD2 4.35Å; L10-L217 HydrophobicContact CD1-CG 4.21Å
11L88.3Confident88Confident11 Ų1148.8 Ų48.86%0.05822%0.223CC..Hα-helixtrans-82.7-5.8178.6-64.4176.6000113.4A7 C8 C13 L18 I79 V82 L206 I210A7-L11 WeakPolarHBondContact O-CB 3.46Å; A7-L11 WeakPolarHBondContact O-CG 3.38Å; A7-L11 PolarHBondContact O-N 3.12Å; C8-L11 PolarHBondContact O-N 3.37Å; L11-C13 HydrophobicContact CB-CB 4.42Å; L11-C13 PolarHBondContact O-N 3.39Å; L11-L18 HydrophobicContact CD1-CD1 4.26Å; L11-I79 HydrophobicContact CD2-CG1 4.26Å; L11-I79 HydrophobicContact CD2-CG2 4.17Å; L11-V82 HydrophobicContact CD1-CG1 4.23Å; L11-V82 HydrophobicContact CD1-CG2 4.13Å; L11-L206 HydrophobicContact CD1-CD1 4.13Å; L11-I210 HydrophobicContact CD1-CD1 3.73Å; L11-I210 HydrophobicContact CD2-CD1 4.44Å; L11-I210 HydrophobicContact CG-CD1 4.12Å
12R90.2Very high89.2Confident183 Ų18347.3 Ų47.369%0.69122%0.216SC*.THydrogen-bonded Turntrans52.842.8-172.7-58.4-179.3174.5-177.4-3.2112.1C8 R9 L10 Q86C8-R12 CarbonylContact O-C 3.58Å; C8-R12 WeakPolarHBondContact O-CA 3.49Å; C8-R12 PolarHBondContact O-N 2.96Å; R9-R12 PolarHBondContact O-N 3.36Å; L10-R12 VanDerWaalsContact C-N 3.29Å; R12-Q86 PolarHBondContact O-NE2 2.84Å
13C90.4Very high90.1Very high9 Ų943 Ų436%0.06119%0.193CC..  trans-120.9156.8179.9760000112.7C8 L11 E17 V82 Q86C8-C13 VanDerWaalsContact CB-O 3.23Å; C8-C13 WeakPolarHBondContact CB-O 3.29Å; C8-C13 PolarHBondContact O-N 3.31Å; L11-C13 HydrophobicContact CB-CB 4.42Å; L11-C13 PolarHBondContact O-N 3.39Å; C13-E17 WeakPolarHBondContact CA-OE2 3.47Å; C13-E17 HydrophobicContact CB-CB 4.27Å; C13-E17 VanDerWaalsContact CB-OE2 3.25Å; C13-E17 WeakPolarHBondContact CB-OE2 3.44Å; C13-V82 HydrophobicContact CB-CG1 3.9Å; C13-Q86 HydrophobicContact CB-CG 4.15Å
14N90.6Very high90.9Very high100 Ų10039.8 Ų39.854%0.53518%0.178SC..  trans-81.2159169.8-67.1-48.5000110.8Q16 E17 L18N14-Q16 PolarHBondContact O-N 3.06Å; N14-E17 HydrophobicContact CB-CG 4.29Å; N14-E17 PolarHBondContact N-OE2 3.26Å; N14-E17 PolarHBondContact ND2-OE1 2.94Å; N14-E17 WeakPolarHBondContact O-CB 3.4Å; N14-E17 PolarHBondContact O-N 3.07Å; N14-E17 VanDerWaalsContact O-N 3.17Å; N14-L18 PolarHBondContact O-N 3.13Å; N14-L18 VanDerWaalsContact O-N 3.07Å
15V91.5Very high91.5Very high30 Ų3039.4 Ų39.418%0.18218%0.176CC..Hα-helixtrans-57.3-37177.1174.90000111.4L4 L5 L18 L19L4-V15 HydrophobicContact CD2-CB 4.32Å; L4-V15 HydrophobicContact CD2-CG1 3.87Å; L4-V15 HydrophobicContact CD2-CG2 3.83Å; L5-V15 HydrophobicContact CD2-CG2 3.92Å; V15-L18 PolarHBondContact O-N 3.34Å; V15-L19 HydrophobicContact CG1-CD1 3.69Å; V15-L19 HydrophobicContact CG1-CG 4.2Å; V15-L19 WeakPolarHBondContact O-CB 3.37Å; V15-L19 WeakPolarHBondContact O-CG 3.33Å; V15-L19 PolarHBondContact O-N 3.04Å
16Q92.7Very high92Very high87 Ų8736.5 Ų36.541%0.40716%0.161SC..Hα-helixtrans-63.8-46.1178.5-63.9176.5-23.500111.8N14 L18 L19 L20 F134N14-Q16 PolarHBondContact O-N 3.06Å; Q16-L18 VanDerWaalsContact C-N 3.32Å; Q16-L18 PolarHBondContact O-N 3.04Å; Q16-L19 PolarHBondContact O-N 3.49Å; Q16-L20 WeakPolarHBondContact O-CB 3.41Å; Q16-L20 VanDerWaalsContact O-CG 3.24Å; Q16-L20 WeakPolarHBondContact O-CG 3.37Å; Q16-L20 PolarHBondContact O-N 3.18Å; Q16-F134 HydrophobicContact CB-CD1 4.31Å; Q16-F134 HydrophobicContact CB-CE1 3.91Å; Q16-F134 HydrophobicContact CB-CE2 4.3Å; Q16-F134 HydrophobicContact CB-CZ 3.91Å; Q16-F134 HydrophobicContact CG-CD1 3.73Å; Q16-F134 HydrophobicContact CG-CD2 4.34Å; Q16-F134 HydrophobicContact CG-CE1 3.85Å; Q16-F134 HydrophobicContact CG-CE2 4.43Å; Q16-F134 HydrophobicContact CG-CG 4Å; Q16-F134 HydrophobicContact CG-CZ 4.2Å
17E94Very high92.4Very high13 Ų1331.7 Ų31.76%0.06114%0.14CC..Hα-helixtrans-61.2-43.6178.2-63.8155.8-158.500110.8C13 N14 L20 S21 Q86 L89C13-E17 WeakPolarHBondContact CA-OE2 3.47Å; C13-E17 HydrophobicContact CB-CB 4.27Å; C13-E17 VanDerWaalsContact CB-OE2 3.25Å; C13-E17 WeakPolarHBondContact CB-OE2 3.44Å; N14-E17 HydrophobicContact CB-CG 4.29Å; N14-E17 PolarHBondContact N-OE2 3.26Å; N14-E17 PolarHBondContact ND2-OE1 2.94Å; N14-E17 WeakPolarHBondContact O-CB 3.4Å; N14-E17 PolarHBondContact O-N 3.07Å; N14-E17 VanDerWaalsContact O-N 3.17Å; E17-L20 PolarHBondContact O-N 3.05Å; E17-S21 PolarHBondContact O-N 3.31Å; E17-Q86 HydrophobicContact CB-CG 4.02Å; E17-Q86 HydrophobicContact CG-CB 4.44Å; E17-Q86 HydrophobicContact CG-CG 4.13Å; E17-Q86 VanDerWaalsContact OE2-CG 3.3Å; E17-Q86 WeakPolarHBondContact OE2-CG 3.36Å; E17-Q86 PolarHBondContact OE2-NE2 3.08Å; E17-L89 HydrophobicContact CG-CD2 3.67Å
18L94.1Very high92.9Very high0 Ų031.9 Ų31.90%014%0.141CC..Hα-helixtrans-61.5-47.7176.1-172.661.7000111.5L4 L11 N14 V15 Q16 L20 S21 L22 V82 L206L4-L18 HydrophobicContact CD1-CD2 4.36Å; L4-L18 HydrophobicContact CD2-CD2 4Å; L4-L18 HydrophobicContact CG-CD2 3.78Å; L11-L18 HydrophobicContact CD1-CD1 4.26Å; N14-L18 PolarHBondContact O-N 3.13Å; N14-L18 VanDerWaalsContact O-N 3.07Å; V15-L18 PolarHBondContact O-N 3.34Å; Q16-L18 VanDerWaalsContact C-N 3.32Å; Q16-L18 PolarHBondContact O-N 3.04Å; L18-L20 PolarHBondContact O-N 3.33Å; L18-S21 WeakPolarHBondContact O-CB 3.39Å; L18-S21 PolarHBondContact O-N 3.4Å; L18-S21 PolarHBondContact O-OG 2.87Å; L18-L22 HydrophobicContact CG-CD1 4.42Å; L18-L22 WeakPolarHBondContact O-CG 3.5Å; L18-L22 PolarHBondContact O-N 3.43Å; L18-V82 HydrophobicContact CD1-CG2 3.76Å; L18-L206 HydrophobicContact CD1-CD1 3.94Å; L18-L206 HydrophobicContact CD1-CD2 3.72Å; L18-L206 HydrophobicContact CD2-CD2 4.08Å; L18-L206 HydrophobicContact CG-CD2 4.24Å
19L94.3Very high93.1Very high0 Ų034 Ų340%015%0.147CC..Hα-helixtrans-65.3-37.5179.5-70.2171.6000112.7V15 Q16 S21 L22 L23 F134 F171 V178 I384V15-L19 HydrophobicContact CG1-CD1 3.69Å; V15-L19 HydrophobicContact CG1-CG 4.2Å; V15-L19 WeakPolarHBondContact O-CB 3.37Å; V15-L19 WeakPolarHBondContact O-CG 3.33Å; V15-L19 PolarHBondContact O-N 3.04Å; Q16-L19 PolarHBondContact O-N 3.49Å; L19-S21 VanDerWaalsContact C-N 3.32Å; L19-L22 HydrophobicContact CD2-CD1 4.4Å; L19-L22 PolarHBondContact O-N 3.4Å; L19-L23 WeakPolarHBondContact O-CB 3.5Å; L19-L23 PolarHBondContact O-N 2.92Å; L19-F134 HydrophobicContact CB-CE1 4.12Å; L19-F134 HydrophobicContact CD1-CE1 3.99Å; L19-F171 HydrophobicContact CB-CD1 3.86Å; L19-F171 HydrophobicContact CB-CE1 3.71Å; L19-F171 HydrophobicContact CB-CE2 4.38Å; L19-F171 HydrophobicContact CB-CG 4.27Å; L19-F171 HydrophobicContact CB-CZ 3.97Å; L19-F171 HydrophobicContact CD1-CB 4.07Å; L19-F171 HydrophobicContact CD1-CD1 3.76Å; L19-F171 HydrophobicContact CD1-CE1 4.44Å; L19-F171 HydrophobicContact CD1-CG 4Å; L19-F171 HydrophobicContact CD2-CD1 3.99Å; L19-F171 HydrophobicContact CD2-CE1 4.05Å; L19-F171 HydrophobicContact CG-CD1 4.08Å; L19-F171 HydrophobicContact CG-CE1 4.27Å; L19-V178 HydrophobicContact CD1-CG1 3.84Å; L19-V178 HydrophobicContact CD2-CG1 3.96Å; L19-I384 HydrophobicContact CD2-CD1 4.44Å
20L95.3Very high93.4Very high2 Ų224.8 Ų24.81%0.0111%0.113CC..Hα-helixtrans-62.8-40.2172.5-71.8167.9000111.6Q16 E17 L18 L23 G24 L69 L71 A85 L89 I132 F134Q16-L20 WeakPolarHBondContact O-CB 3.41Å; Q16-L20 VanDerWaalsContact O-CG 3.24Å; Q16-L20 WeakPolarHBondContact O-CG 3.37Å; Q16-L20 PolarHBondContact O-N 3.18Å; E17-L20 PolarHBondContact O-N 3.05Å; L18-L20 PolarHBondContact O-N 3.33Å; L20-L23 PolarHBondContact O-N 3.21Å; L20-G24 PolarHBondContact O-N 3.16Å; L20-L69 HydrophobicContact CD1-CD2 3.72Å; L20-L69 HydrophobicContact CD2-CD2 3.79Å; L20-L69 HydrophobicContact CG-CD2 4.37Å; L20-L71 HydrophobicContact CD2-CD2 3.91Å; L20-A85 HydrophobicContact CB-CB 4.36Å; L20-L89 HydrophobicContact CD1-CD1 4.18Å; L20-L89 HydrophobicContact CD1-CD2 4.05Å; L20-L89 HydrophobicContact CD1-CG 4.49Å; L20-I132 HydrophobicContact CD2-CD1 3.61Å; L20-I132 HydrophobicContact CD2-CG2 4.01Å; L20-F134 HydrophobicContact CD1-CZ 4.48Å; L20-F134 HydrophobicContact CD2-CE2 4.24Å; L20-F134 HydrophobicContact CD2-CZ 4.12Å; L20-F134 HydrophobicContact CG-CE2 4.33Å; L20-F134 HydrophobicContact CG-CZ 3.95Å
21S95.7Very high93.7Very high0 Ų025.9 Ų25.90%012%0.117CC..Hα-helixtrans-65.3-42.2176.581.70000111.9E17 L18 L19 G24 G25 R81 V82E17-S21 PolarHBondContact O-N 3.31Å; L18-S21 WeakPolarHBondContact O-CB 3.39Å; L18-S21 PolarHBondContact O-N 3.4Å; L18-S21 PolarHBondContact O-OG 2.87Å; L19-S21 VanDerWaalsContact C-N 3.32Å; S21-G24 PolarHBondContact O-N 3.01Å; S21-G25 PolarHBondContact O-N 3.22Å; S21-R81 WeakPolarHBondContact O-CD 3.5Å; S21-V82 VanDerWaalsContact OG-CG2 3.22Å; S21-V82 WeakPolarHBondContact OG-CG2 3.22Å
22L95.5Very high93.9Very high1 Ų130 Ų301%0.00513%0.132CC..Hα-helixtrans-65.3-41.3177.7-70.2171.1000111.2L18 L19 G25 T26 M199 E202 V203 L206L18-L22 HydrophobicContact CG-CD1 4.42Å; L18-L22 WeakPolarHBondContact O-CG 3.5Å; L18-L22 PolarHBondContact O-N 3.43Å; L19-L22 HydrophobicContact CD2-CD1 4.4Å; L19-L22 PolarHBondContact O-N 3.4Å; L22-G25 PolarHBondContact O-N 2.78Å; L22-T26 WeakPolarHBondContact O-CB 3.38Å; L22-T26 PolarHBondContact O-N 3.24Å; L22-T26 PolarHBondContact O-OG1 3.45Å; L22-M199 HydrophobicContact CB-CE 3.47Å; L22-M199 VanDerWaalsContact CB-CE 3.47Å; L22-M199 HydrophobicContact CB-SD 3.89Å; L22-M199 HydrophobicContact CD1-CE 4.27Å; L22-E202 HydrophobicContact CD2-CB 3.94Å; L22-V203 HydrophobicContact CD1-CG2 3.88Å; L22-V203 HydrophobicContact CD2-CG2 4.14Å; L22-L206 HydrophobicContact CD2-CB 4.44Å; L22-L206 HydrophobicContact CD2-CD2 4.46Å
23L95.5Very high94Very high3 Ų325.5 Ų25.52%0.01612%0.118CC..Hα-helixtrans-62.6-43.9172.8-179.763.7000111.8L19 L20 G25 T26 L27 L71 I132 F167 C169 F171 L182L19-L23 WeakPolarHBondContact O-CB 3.5Å; L19-L23 PolarHBondContact O-N 2.92Å; L20-L23 PolarHBondContact O-N 3.21Å; L23-G25 VanDerWaalsContact C-N 3.26Å; L23-G25 PolarHBondContact O-N 2.88Å; L23-T26 PolarHBondContact O-N 3.42Å; L23-L27 HydrophobicContact CD1-CD1 4.27Å; L23-L27 HydrophobicContact CD1-CG 4.36Å; L23-L27 HydrophobicContact CG-CD1 4.2Å; L23-L27 WeakPolarHBondContact O-CG 3.23Å; L23-L27 PolarHBondContact O-N 2.84Å; L23-L71 HydrophobicContact CD2-CD1 4.07Å; L23-L71 HydrophobicContact CG-CD1 4.3Å; L23-I132 HydrophobicContact CD2-CD1 3.91Å; L23-I132 HydrophobicContact CD2-CG1 4.26Å; L23-F167 HydrophobicContact CD2-CE2 4.37Å; L23-C169 HydrophobicContact CD2-CB 3.97Å; L23-F171 HydrophobicContact CB-CZ 4.09Å; L23-F171 HydrophobicContact CD2-CE2 4.27Å; L23-F171 HydrophobicContact CD2-CZ 4.16Å; L23-L182 HydrophobicContact CD1-CD1 4.4Å
24G96.1Very high94Very high0 Ų028.7 Ų28.70%013%0.133CC..Hα-helixtrans-58-40174.300000112.3L20 S21 R28L20-G24 PolarHBondContact O-N 3.16Å; S21-G24 PolarHBondContact O-N 3.01Å; G24-R28 WeakPolarHBondContact O-CB 3.37Å; G24-R28 PolarHBondContact O-N 3.27Å
25G96Very high94.1Very high0 Ų026.8 Ų26.80%014%0.137CC..Hα-helixtrans-65.5-44.8174.700000114.5S21 L22 L23 L27 R28 R29S21-G25 PolarHBondContact O-N 3.22Å; L22-G25 PolarHBondContact O-N 2.78Å; L23-G25 VanDerWaalsContact C-N 3.26Å; L23-G25 PolarHBondContact O-N 2.88Å; G25-L27 VanDerWaalsContact C-N 3.34Å; G25-L27 PolarHBondContact O-N 2.86Å; G25-R28 WeakPolarHBondContact O-CB 3.41Å; G25-R28 PolarHBondContact O-N 2.86Å; G25-R29 PolarHBondContact O-N 3.46Å
26T95.3Very high94.1Very high2 Ų229 Ų291%0.01215%0.147CC..Hα-helixtrans-59.4-48178.1-59.70000110.6L22 L23 R29 Y30 L195 M199L22-T26 WeakPolarHBondContact O-CB 3.38Å; L22-T26 PolarHBondContact O-N 3.24Å; L22-T26 PolarHBondContact O-OG1 3.45Å; L23-T26 PolarHBondContact O-N 3.42Å; T26-R29 PolarHBondContact O-N 3.39Å; T26-Y30 WeakPolarHBondContact O-CB 3.28Å; T26-Y30 PolarHBondContact O-N 3.31Å; T26-L195 HydrophobicContact CG2-CB 4.31Å; T26-L195 HydrophobicContact CG2-CD2 4.07Å; T26-L195 WeakPolarHBondContact CG2-O 3.32Å; T26-M199 HydrophobicContact CG2-CB 4.13Å; T26-M199 VanDerWaalsContact OG1-CA 3.28Å; T26-M199 WeakPolarHBondContact OG1-CA 3.38Å; T26-M199 PolarHBondContact OG1-SD 2.9Å
27L95.2Very high94Very high0 Ų029.5 Ų29.50%016%0.159CC..Hα-helixtrans-67-37.2177.3-65.4174.5000111.9L23 G25 Y30 F31 I42 L71 V73 F167 F189 L195L23-L27 HydrophobicContact CD1-CD1 4.27Å; L23-L27 HydrophobicContact CD1-CG 4.36Å; L23-L27 HydrophobicContact CG-CD1 4.2Å; L23-L27 WeakPolarHBondContact O-CG 3.23Å; L23-L27 PolarHBondContact O-N 2.84Å; G25-L27 VanDerWaalsContact C-N 3.34Å; G25-L27 PolarHBondContact O-N 2.86Å; L27-Y30 PolarHBondContact O-N 3.27Å; L27-F31 VanDerWaalsContact O-CD2 3.26Å; L27-F31 WeakPolarHBondContact O-CD2 3.37Å; L27-F31 WeakPolarHBondContact O-CG 3.39Å; L27-F31 PolarHBondContact O-N 2.95Å; L27-I42 HydrophobicContact CB-CD1 4.02Å; L27-I42 HydrophobicContact CD1-CD1 3.6Å; L27-I42 HydrophobicContact CG-CD1 4.33Å; L27-L71 HydrophobicContact CD1-CD1 3.81Å; L27-V73 HydrophobicContact CB-CG2 4.1Å; L27-F167 HydrophobicContact CD1-CE1 4.44Å; L27-F167 HydrophobicContact CD1-CE2 4.35Å; L27-F167 HydrophobicContact CD1-CZ 4.13Å; L27-F189 HydrophobicContact CD2-CE1 3.87Å; L27-F189 HydrophobicContact CD2-CZ 4.06Å; L27-L195 HydrophobicContact CD2-CD2 4.13Å
28R94.9Very high93.8Very high5 Ų533.6 Ų33.62%0.01919%0.188CC..Hα-helixtrans-59.8-49.3174.2-177-179.8-172.980.6-11.1111.4G24 G25 F31 R32 P39 V73 D74 V75 D76G24-R28 WeakPolarHBondContact O-CB 3.37Å; G24-R28 PolarHBondContact O-N 3.27Å; G25-R28 WeakPolarHBondContact O-CB 3.41Å; G25-R28 PolarHBondContact O-N 2.86Å; R28-F31 PolarHBondContact O-N 3.02Å; R28-R32 VanDerWaalsContact NE-CZ 3.29Å; R28-R32 WeakPolarHBondContact O-CB 3.41Å; R28-R32 WeakPolarHBondContact O-CG 3.13Å; R28-R32 PolarHBondContact O-N 2.92Å; R28-P39 HydrophobicContact CB-CG 4.35Å; R28-P39 HydrophobicContact CG-CG 3.88Å; R28-V73 HydrophobicContact CB-CG1 4.11Å; R28-V73 WeakPolarHBondContact CB-O 3.3Å; R28-V73 VanDerWaalsContact CD-O 3.27Å; R28-V73 WeakPolarHBondContact CD-O 3.37Å; R28-V73 VanDerWaalsContact CG-O 3.24Å; R28-V73 WeakPolarHBondContact CG-O 3.27Å; R28-V73 PolarHBondContact NH1-O 3.29Å; R28-D74 VanDerWaalsContact NH1-CA 3.25Å; R28-D74 PolarHBondContact NH1-O 3.26Å; R28-D74 PolarHBondContact NH2-O 3.09Å; R28-V75 WeakPolarHBondContact CD-O 2.87Å; R28-V75 PolarHBondContact NE-O 3.42Å; R28-D76 IonicContact CZ-OD1 3.12Å; R28-D76 IonicContact CZ-OD2 2.91Å; R28-D76 IonicContact NE-OD1 3.24Å; R28-D76 PolarHBondContact NE-OD1 2.88Å; R28-D76 IonicContact NH2-OD1 2.7Å; R28-D76 PolarHBondContact NH2-OD1 3Å; R28-D76 IonicContact NH2-OD2 3.88Å; R28-D76 PolarHBondContact NH2-OD2 2.86Å
29R94.4Very high93.8Very high51 Ų5133.6 Ų33.619%0.19219%0.188CC..Hα-helixtrans-60.4-46.3177.9-77.5-172.9-168.8-166.333.7111.7G25 T26 F31 R32 E33 Y198 E201 E202 L205G25-R29 PolarHBondContact O-N 3.46Å; T26-R29 PolarHBondContact O-N 3.39Å; R29-F31 VanDerWaalsContact C-N 3.34Å; R29-F31 PolarHBondContact O-N 2.9Å; R29-R32 WeakPolarHBondContact O-CB 3.37Å; R29-R32 PolarHBondContact O-N 3.48Å; R29-E33 PolarHBondContact O-N 2.95Å; R29-Y198 HydrophobicContact CB-CD1 4.09Å; R29-Y198 HydrophobicContact CB-CD2 4.08Å; R29-Y198 HydrophobicContact CB-CG 3.87Å; R29-E201 IonicContact CZ-OE2 3.78Å; R29-E201 IonicContact NH1-OE2 2.77Å; R29-E201 PolarHBondContact NH1-OE2 3.4Å; R29-E201 PolarHBondContact NH2-O 3.15Å; R29-E201 VanDerWaalsContact NH2-O 3.08Å; R29-E202 IonicContact CZ-OE1 2.74Å; R29-E202 IonicContact NE-OE1 3.21Å; R29-E202 PolarHBondContact NE-OE1 3Å; R29-E202 VanDerWaalsContact NH2-CD 3.3Å; R29-E202 IonicContact NH2-OE1 2.95Å; R29-E202 PolarHBondContact NH2-OE1 3.4Å; R29-L205 VanDerWaalsContact NH2-CG 3.31Å
30Y94.4Very high93.6Very high2 Ų238 Ų381%0.00822%0.217CC..Hα-helixtrans-55.5-49.2176.4-177.3-92.3000111.7T26 L27 R32 E33 M34 F189 H190 K191 L195 Y198T26-Y30 WeakPolarHBondContact O-CB 3.28Å; T26-Y30 PolarHBondContact O-N 3.31Å; L27-Y30 PolarHBondContact O-N 3.27Å; Y30-R32 PolarHBondContact O-N 3.47Å; Y30-E33 PolarHBondContact O-N 3.15Å; Y30-M34 HydrophobicContact CD1-CG 4.35Å; Y30-M34 HydrophobicContact CE1-CE 4.43Å; Y30-M34 HydrophobicContact CE1-CG 3.93Å; Y30-M34 HydrophobicContact CE2-CE 3.9Å; Y30-M34 VanDerWaalsContact O-CG 3.3Å; Y30-M34 WeakPolarHBondContact O-CG 3.43Å; Y30-M34 PolarHBondContact O-N 3.35Å; Y30-M34 VanDerWaalsContact O-N 3.11Å; Y30-F189 AromaticContact CD1-CD1 3.75Å; Y30-F189 HydrophobicContact CD1-CD1 3.75Å; Y30-F189 AromaticContact CD1-CE1 3.86Å; Y30-F189 HydrophobicContact CD1-CE1 3.86Å; Y30-F189 AromaticContact CE1-CD1 3.37Å; Y30-F189 HydrophobicContact CE1-CD1 3.37Å; Y30-F189 AromaticContact CE1-CE1 3.89Å; Y30-F189 HydrophobicContact CE1-CE1 3.89Å; Y30-F189 HydrophobicContact CE1-CG 4.26Å; Y30-F189 HydrophobicContact CE2-CD1 4.23Å; Y30-F189 HydrophobicContact CG-CD1 4.35Å; Y30-F189 AromaticContact CZ-CD1 3.65Å; Y30-F189 VanDerWaalsContact OH-CA 3.23Å; Y30-F189 WeakPolarHBondContact OH-CA 3.24Å; Y30-H190 PolarHBondContact OH-N 3.24Å; Y30-K191 PolarHBondContact OH-N 2.83Å; Y30-L195 HydrophobicContact CD2-CD2 3.71Å; Y30-L195 HydrophobicContact CD2-CG 4.04Å; Y30-L195 HydrophobicContact CG-CD2 3.7Å; Y30-L195 HydrophobicContact CG-CG 4.49Å; Y30-Y198 HydrophobicContact CD2-CE2 4.29Å
31F93.2Very high93.5Very high44 Ų4440.4 Ų40.419%0.19323%0.232CC..Hα-helixtrans-68.5-32.8178.8-68.6-39.2000113.9L27 R28 R29 M34 G35 I36 P39 I42 V73L27-F31 VanDerWaalsContact O-CD2 3.26Å; L27-F31 WeakPolarHBondContact O-CD2 3.37Å; L27-F31 WeakPolarHBondContact O-CG 3.39Å; L27-F31 PolarHBondContact O-N 2.95Å; R28-F31 PolarHBondContact O-N 3.02Å; R29-F31 VanDerWaalsContact C-N 3.34Å; R29-F31 PolarHBondContact O-N 2.9Å; F31-M34 CarbonylContact O-C 3.42Å; F31-M34 WeakPolarHBondContact O-CB 3.24Å; F31-M34 PolarHBondContact O-N 3.33Å; F31-G35 PolarHBondContact O-N 3.37Å; F31-I36 HydrophobicContact CB-CB 4.23Å; F31-I36 HydrophobicContact CB-CD1 4.27Å; F31-I36 HydrophobicContact CD1-CD1 4.39Å; F31-I36 HydrophobicContact CG-CD1 4.48Å; F31-I36 WeakPolarHBondContact O-CB 3.25Å; F31-I36 PolarHBondContact O-N 3.22Å; F31-P39 HydrophobicContact CB-CB 3.84Å; F31-P39 HydrophobicContact CB-CG 4.16Å; F31-P39 HydrophobicContact CD2-CB 3.72Å; F31-P39 HydrophobicContact CD2-CG 4.41Å; F31-P39 HydrophobicContact CG-CB 4.21Å; F31-I42 HydrophobicContact CD2-CD1 4.48Å; F31-I42 HydrophobicContact CE2-CD1 3.47Å; F31-I42 VanDerWaalsContact CE2-CD1 3.47Å; F31-I42 HydrophobicContact CE2-CG1 4.07Å; F31-I42 HydrophobicContact CZ-CD1 4.1Å; F31-V73 HydrophobicContact CD2-CG1 4.09Å; F31-V73 HydrophobicContact CE2-CG1 4.45Å
32R93.4Very high93.3Very high99 Ų9941 Ų4137%0.37424%0.235SC..Hα-helixtrans-64-41.7172.6-79.8-178.9161.7179.8-6.6112.4R28 R29 Y30 M34 G35 I36 C37 D76R28-R32 VanDerWaalsContact NE-CZ 3.29Å; R28-R32 WeakPolarHBondContact O-CB 3.41Å; R28-R32 WeakPolarHBondContact O-CG 3.13Å; R28-R32 PolarHBondContact O-N 2.92Å; R29-R32 WeakPolarHBondContact O-CB 3.37Å; R29-R32 PolarHBondContact O-N 3.48Å; Y30-R32 PolarHBondContact O-N 3.47Å; R32-M34 PolarHBondContact O-N 2.87Å; R32-G35 WeakPolarHBondContact O-CA 3.32Å; R32-G35 PolarHBondContact O-N 3.25Å; R32-I36 WeakPolarHBondContact CA-O 3.33Å; R32-I36 WeakPolarHBondContact CG-O 3.46Å; R32-C37 PolarHBondContact NE-O 2.99Å; R32-C37 PolarHBondContact NH2-O 2.98Å; R32-D76 IonicContact CZ-OD1 3.92Å; R32-D76 IonicContact CZ-OD2 2.83Å; R32-D76 IonicContact NH1-OD1 2.86Å; R32-D76 PolarHBondContact NH1-OD1 3.43Å; R32-D76 IonicContact NH1-OD2 3.87Å; R32-D76 IonicContact NH2-OD1 3.18Å; R32-D76 PolarHBondContact NH2-OD1 2.94Å; R32-D76 IonicContact NH2-OD2 2.78Å; R32-D76 PolarHBondContact NH2-OD2 3.28Å
33E92.3Very high93.2Very high87 Ų8743.1 Ų43.141%0.40725%0.248SC..Hα-helixtrans-63.7-32.3174.2-161.6-156.7-173.300111.4R29 Y30 G35 L194 Y198R29-E33 PolarHBondContact O-N 2.95Å; Y30-E33 PolarHBondContact O-N 3.15Å; E33-G35 PolarHBondContact O-N 3.42Å; E33-L194 WeakPolarHBondContact OE2-CD1 3.49Å; E33-Y198 WeakPolarHBondContact CG-OH 3.35Å; E33-Y198 PolarHBondContact OE1-OH 3.28Å; E33-Y198 PolarHBondContact OE2-OH 3.11Å
34M90Very high93Very high76 Ų7643 Ų4337%0.37425%0.248SC..THydrogen-bonded Turntrans-75.53.5172.2-60-67.1135.800113.8Y30 F31 R32Y30-M34 HydrophobicContact CD1-CG 4.35Å; Y30-M34 HydrophobicContact CE1-CE 4.43Å; Y30-M34 HydrophobicContact CE1-CG 3.93Å; Y30-M34 HydrophobicContact CE2-CE 3.9Å; Y30-M34 VanDerWaalsContact O-CG 3.3Å; Y30-M34 WeakPolarHBondContact O-CG 3.43Å; Y30-M34 PolarHBondContact O-N 3.35Å; Y30-M34 VanDerWaalsContact O-N 3.11Å; F31-M34 CarbonylContact O-C 3.42Å; F31-M34 WeakPolarHBondContact O-CB 3.24Å; F31-M34 PolarHBondContact O-N 3.33Å; R32-M34 PolarHBondContact O-N 2.87Å
35G92.7Very high92.8Very high60 Ų6043.1 Ų43.162%0.61925%0.249SC*.THydrogen-bonded Turntrans93.15.6176.500000115.5F31 R32 E33 C37F31-G35 PolarHBondContact O-N 3.37Å; R32-G35 WeakPolarHBondContact O-CA 3.32Å; R32-G35 PolarHBondContact O-N 3.25Å; E33-G35 PolarHBondContact O-N 3.42Å; G35-C37 PolarHBondContact O-N 3.19Å
36I92Very high92.5Very high78 Ų7843.5 Ų43.540%0.425%0.251SS..  trans-91.198.5177.1-51.9176000109F31 R32 C38 P39F31-I36 HydrophobicContact CB-CB 4.23Å; F31-I36 HydrophobicContact CB-CD1 4.27Å; F31-I36 HydrophobicContact CD1-CD1 4.39Å; F31-I36 HydrophobicContact CG-CD1 4.48Å; F31-I36 WeakPolarHBondContact O-CB 3.25Å; F31-I36 PolarHBondContact O-N 3.22Å; R32-I36 WeakPolarHBondContact CA-O 3.33Å; R32-I36 WeakPolarHBondContact CG-O 3.46Å; I36-C38 VanDerWaalsContact C-N 3.34Å; I36-C38 PolarHBondContact O-N 2.97Å; I36-P39 HydrophobicContact CG2-CB 4.03Å
37C90.1Very high92.2Very high96 Ų9647 Ų4765%0.64927%0.269SS*.SBendtrans-59.7-41.4-176.2-61.70000113.5R32 G35R32-C37 PolarHBondContact NE-O 2.99Å; R32-C37 PolarHBondContact NH2-O 2.98Å; G35-C37 PolarHBondContact O-N 3.19Å
38C90.3Very high91.6Very high99 Ų9948.7 Ų48.767%0.66928%0.279SS*.SBendtrans-130.379.4-176.5-64.20000109.8I36I36-C38 VanDerWaalsContact C-N 3.34Å; I36-C38 PolarHBondContact O-N 2.97Å
39P92.4Very high90.9Very high1 Ų152.4 Ų52.41%0.00630%0.299CS..PPolyproline II helixtrans-64.5137.3-178.625.3-32.8000110.8R28 F31 I36 V73 D74R28-P39 HydrophobicContact CB-CG 4.35Å; R28-P39 HydrophobicContact CG-CG 3.88Å; F31-P39 HydrophobicContact CB-CB 3.84Å; F31-P39 HydrophobicContact CB-CG 4.16Å; F31-P39 HydrophobicContact CD2-CB 3.72Å; F31-P39 HydrophobicContact CD2-CG 4.41Å; F31-P39 HydrophobicContact CG-CB 4.21Å; I36-P39 HydrophobicContact CG2-CB 4.03Å; P39-V73 HydrophobicContact CB-CG1 3.78Å; P39-V73 HydrophobicContact CG-CG1 3.66Å; P39-D74 VanDerWaalsContact O-CA 3.31Å; P39-D74 WeakPolarHBondContact O-CA 3.32Å
40P92Very high89.5Confident93 Ų9352 Ų5260%0.60430%0.301SS*.PPolyproline II helixtrans-66.5160.7178.228.8-34.8000111.1I42P40-I42 PolarHBondContact O-N 3Å
41P91.5Very high87.8Confident51 Ų5157.9 Ų57.933%0.33133%0.327SS..PPolyproline II helixtrans-54.8130.7170.8-17.625.9000110.9K70 D74P41-K70 HydrophobicContact CB-CB 4.39Å; P41-D74 HydrophobicContact CG-CB 4.09Å
42I92.8Very high85.8Confident12 Ų1265 Ų656%0.06236%0.36CS..EExtended strand (participates in β ladder)trans-87131.5176.3-60175.2000108.9L27 F31 P40 S44 K70 L71 V73 D129 F167L27-I42 HydrophobicContact CB-CD1 4.02Å; L27-I42 HydrophobicContact CD1-CD1 3.6Å; L27-I42 HydrophobicContact CG-CD1 4.33Å; F31-I42 HydrophobicContact CD2-CD1 4.48Å; F31-I42 HydrophobicContact CE2-CD1 3.47Å; F31-I42 VanDerWaalsContact CE2-CD1 3.47Å; F31-I42 HydrophobicContact CE2-CG1 4.07Å; F31-I42 HydrophobicContact CZ-CD1 4.1Å; P40-I42 PolarHBondContact O-N 3Å; I42-S44 PolarHBondContact O-N 3.02Å; I42-K70 CarbonylContact O-C 3.55Å; I42-K70 WeakPolarHBondContact O-CA 3.41Å; I42-L71 HydrophobicContact CB-CB 4.4Å; I42-L71 PolarHBondContact O-N 3.49Å; I42-V73 HydrophobicContact CB-CG2 4.31Å; I42-V73 HydrophobicContact CD1-CB 4.41Å; I42-V73 HydrophobicContact CD1-CG1 4.29Å; I42-V73 HydrophobicContact CD1-CG2 3.67Å; I42-V73 HydrophobicContact CG1-CB 4.25Å; I42-V73 HydrophobicContact CG1-CG1 4.35Å; I42-V73 HydrophobicContact CG1-CG2 3.84Å; I42-D129 HydrophobicContact CG2-CB 3.53Å; I42-F167 HydrophobicContact CG2-CE1 3.73Å; I42-F167 HydrophobicContact CG2-CZ 4.19Å
43T92.8Very high83.7Confident46 Ų4667.4 Ų67.428%0.28237%0.373SS..EExtended strand (participates in β ladder)trans-86.6114.5176.7-57.20000109S128 D129T43-S128 CarbonylContact O-C 3.59Å; T43-D129 PolarHBondContact N-OD2 3.01Å; T43-D129 WeakPolarHBondContact O-CB 3.25Å; T43-D129 PolarHBondContact O-N 3.26Å
44S92.4Very high81.4Confident0 Ų067.1 Ų67.10%038%0.381CS..EExtended strand (participates in β ladder)trans-114.6164.2177.565.50000111.1I42 P68 L69 G130 I132I42-S44 PolarHBondContact O-N 3.02Å; S44-P68 CarbonylContact O-C 3.5Å; S44-P68 WeakPolarHBondContact O-CA 3.28Å; S44-L69 CarbonylContact C-O 3.49Å; S44-L69 WeakPolarHBondContact CA-O 3.39Å; S44-L69 PolarHBondContact N-O 3.48Å; S44-L69 PolarHBondContact O-N 3.04Å; S44-L69 VanDerWaalsContact O-O 3.05Å; S44-L69 PolarHBondContact OG-O 2.78Å; S44-G130 CarbonylContact C-O 3.47Å; S44-G130 WeakPolarHBondContact CA-O 3.17Å; S44-G130 WeakPolarHBondContact CB-O 3.37Å; S44-I132 WeakPolarHBondContact OG-CD1 3.41Å
45T90.7Very high79.2Confident3 Ų370.1 Ų70.12%0.01840%0.403CS..EExtended strand (participates in β ladder)trans-113.7127.6170.744.10000109.7V67 Y125 S128 G130 I131 I132T45-V67 CarbonylContact C-O 3.59Å; T45-V67 WeakPolarHBondContact CA-O 3.29Å; T45-Y125 HydrophobicContact CG2-CD1 3.8Å; T45-Y125 HydrophobicContact CG2-CG 4.38Å; T45-S128 PolarHBondContact OG1-OG 2.87Å; T45-G130 PolarHBondContact N-O 3.3Å; T45-G130 PolarHBondContact OG1-O 3.24Å; T45-I131 CarbonylContact O-C 3.59Å; T45-I131 WeakPolarHBondContact O-CA 3.42Å; T45-I131 WeakPolarHBondContact OG1-CG1 3.42Å; T45-I132 PolarHBondContact O-N 3.38Å
46L90.9Very high76.8Confident8 Ų874.7 Ų74.74%0.04241%0.408CS..EExtended strand (participates in β ladder)trans-98.4123.7178.1178.565.4000109.3V48 L66 V67 L69 L89 I132 F134L46-V48 HydrophobicContact CD2-CG2 4.09Å; L46-V48 HydrophobicContact CG-CG2 4.06Å; L46-V48 PolarHBondContact O-N 3.49Å; L46-L66 CarbonylContact O-C 3.53Å; L46-L66 WeakPolarHBondContact O-CA 3.24Å; L46-V67 PolarHBondContact N-O 3.34Å; L46-V67 PolarHBondContact O-N 3.34Å; L46-L69 HydrophobicContact CB-CB 4.42Å; L46-L69 HydrophobicContact CB-CD2 4.48Å; L46-L69 HydrophobicContact CD2-CD2 4.49Å; L46-L89 HydrophobicContact CD2-CD1 3.43Å; L46-L89 VanDerWaalsContact CD2-CD1 3.43Å; L46-I132 WeakPolarHBondContact CA-O 3.18Å; L46-I132 HydrophobicContact CD1-CB 4.27Å; L46-I132 HydrophobicContact CD1-CG2 4.16Å; L46-F134 HydrophobicContact CD1-CD2 3.59Å; L46-F134 HydrophobicContact CD1-CE2 3.54Å
47L87.2Confident74.2Confident75 Ų7577.9 Ų77.939%0.39343%0.426SS..EExtended strand (participates in β ladder)trans-77.8116.1172.2-174.867.5000110.2L66 I132 T133L47-L66 HydrophobicContact CB-CD2 4Å; L47-L66 HydrophobicContact CD1-CD2 3.77Å; L47-L66 HydrophobicContact CD1-CG 4.35Å; L47-I132 PolarHBondContact N-O 3.38Å; L47-T133 HydrophobicContact CB-CG2 3.85Å; L47-T133 HydrophobicContact CD2-CG2 4.06Å
48V84.3Confident71.8Confident36 Ų3679.4 Ų79.422%0.21844%0.438CS..EExtended strand (participates in β ladder)trans-110.4126.7177.9-176.80000108.9L46 G64 T65 V67 L93L46-V48 HydrophobicContact CD2-CG2 4.09Å; L46-V48 HydrophobicContact CG-CG2 4.06Å; L46-V48 PolarHBondContact O-N 3.49Å; V48-G64 CarbonylContact O-C 3.45Å; V48-G64 WeakPolarHBondContact O-CA 3.44Å; V48-T65 PolarHBondContact N-O 3.17Å; V48-T65 PolarHBondContact O-N 2.78Å; V48-V67 HydrophobicContact CB-CG2 4.21Å; V48-V67 HydrophobicContact CG2-CB 4.22Å; V48-V67 HydrophobicContact CG2-CG2 3.67Å; V48-L93 HydrophobicContact CG1-CD2 4.46Å; V48-L93 HydrophobicContact CG2-CD2 3.77Å
49D78.4Confident69.4Low83 Ų8379.7 Ų79.744%0.44444%0.437SS..EExtended strand (participates in β ladder)trans-79.2125.3178.1-164.9-14.3000110.3K51D49-K51 VanDerWaalsContact C-N 3.32Å; D49-K51 WeakPolarHBondContact OD1-CB 3.33Å; D49-K51 WeakPolarHBondContact OD1-CD 3.37Å; D49-K51 WeakPolarHBondContact OD1-CG 3.49Å; D49-K51 PolarHBondContact OD1-N 3.38Å; D49-K51 VanDerWaalsContact OD1-N 3.13Å; D49-K51 IonicContact OD1-NZ 2.82Å; D49-K51 VanDerWaalsContact OD2-CD 3.25Å; D49-K51 WeakPolarHBondContact OD2-CD 2.8Å; D49-K51 VanDerWaalsContact OD2-CE 3.32Å; D49-K51 WeakPolarHBondContact OD2-CE 3.18Å; D49-K51 IonicContact OD2-NZ 3.31Å; D49-K51 PolarHBondContact OD2-NZ 2.93Å
50N65.4Low67Low42 Ų4286.2 Ų86.223%0.22548%0.481CS..  trans-89.910.2179.9-71.6-17.3000113.7H52 K53 G63 T65N50-H52 PolarHBondContact O-N 2.85Å; N50-K53 PolarHBondContact O-N 3.34Å; N50-G63 PolarHBondContact N-O 3.09Å; N50-T65 PolarHBondContact ND2-OG1 3.13Å
51K60Low65Low127 Ų12789.3 Ų89.355%0.55249%0.487SS*.THydrogen-bonded Turntrans-55.7-8.8-175.9-86.4174.7-158141.60116.9D49 K53D49-K51 VanDerWaalsContact C-N 3.32Å; D49-K51 WeakPolarHBondContact OD1-CB 3.33Å; D49-K51 WeakPolarHBondContact OD1-CD 3.37Å; D49-K51 WeakPolarHBondContact OD1-CG 3.49Å; D49-K51 PolarHBondContact OD1-N 3.38Å; D49-K51 VanDerWaalsContact OD1-N 3.13Å; D49-K51 IonicContact OD1-NZ 2.82Å; D49-K51 VanDerWaalsContact OD2-CD 3.25Å; D49-K51 WeakPolarHBondContact OD2-CD 2.8Å; D49-K51 VanDerWaalsContact OD2-CE 3.32Å; D49-K51 WeakPolarHBondContact OD2-CE 3.18Å; D49-K51 IonicContact OD2-NZ 3.31Å; D49-K51 PolarHBondContact OD2-NZ 2.93Å; K51-K53 PolarHBondContact O-N 3Å
52H50.8Low63.2Low194 Ų19492.8 Ų92.890%0.89851%0.511SS*.THydrogen-bonded Turntrans-69-12.2169.9-91.1-65.2000114.4N50N50-H52 PolarHBondContact O-N 2.85Å
53K49.1Very low61.6Low149 Ų14994.3 Ų94.365%0.64853%0.53SS*.SBendtrans-109-10.9-178.8-67.4-175.9-178.41770115.5N50 K51 E99N50-K53 PolarHBondContact O-N 3.34Å; K51-K53 PolarHBondContact O-N 3Å; K53-E99 IonicContact NZ-OE1 2.97Å; K53-E99 PolarHBondContact NZ-OE1 3.24Å
54S42.9Very low60.7Low80 Ų8093.5 Ų93.556%0.55953%0.531SS*.  trans-10697178.270.40000111.4E56S54-E56 VanDerWaalsContact C-N 3.29Å
55V45Very low60.1Low140 Ų14094 Ų9485%0.84853%0.534SS*.  trans-78.1-11.6176.41720000112.4
56E41.9Very low59.9Low155 Ų15595.9 Ų95.972%0.72454%0.544SS*.SBendtrans-133.8130.8-170.4-72178.6158.100113.5S54S54-E56 VanDerWaalsContact C-N 3.29Å
57N36.8Very low59.8Low146 Ų14695.5 Ų95.578%0.78154%0.542SS*.  trans93.8130.3154-56.3-26.7000119.1T59N57-T59 VanDerWaalsContact C-N 3.33Å; N57-T59 PolarHBondContact O-N 3.07Å; N57-T59 VanDerWaalsContact O-N 3.15Å
58S39.4Very low60Low128 Ų12894.1 Ų94.190%0.89554%0.537SS*.  trans-89.342.8-159.854.80000113.7
59T41.2Very low60.4Low105 Ų10592.7 Ų92.764%0.64453%0.528SS*.  trans-95130.9172.552.40000109.8N57 E61N57-T59 VanDerWaalsContact C-N 3.33Å; N57-T59 PolarHBondContact O-N 3.07Å; N57-T59 VanDerWaalsContact O-N 3.15Å; T59-E61 PolarHBondContact O-N 3Å
60C42.2Very low61.2Low137 Ų13794.4 Ų94.493%0.92653%0.532SS*.  trans-73.853.6-172-162.30000111.7
61E49.5Very low62.6Low159 Ų15992.4 Ų92.474%0.74352%0.521SS*.  trans-98117.3174.3-67.2-173.2178.100108.3T59 G63T59-E61 PolarHBondContact O-N 3Å; E61-G63 PolarHBondContact O-N 3.14Å
62C52.8Low64.3Low124 Ų12486.5 Ų86.584%0.83850%0.495SS*.  trans-71.881.1173.6-71.20000108.9G64C62-G64 PolarHBondContact O-N 3.24Å
63G60.8Low66.4Low44 Ų4477.2 Ų77.245%0.45445%0.453SS..  trans-74.454.8-179.900000114.1N50 E61N50-G63 PolarHBondContact N-O 3.09Å; E61-G63 PolarHBondContact O-N 3.14Å
64G72.5Confident68.6Low29 Ų2972.8 Ų72.830%0.29944%0.436SS..EExtended strand (participates in β ladder)trans-92.4143.4174.200000112.3V48 C62V48-G64 CarbonylContact O-C 3.45Å; V48-G64 WeakPolarHBondContact O-CA 3.44Å; C62-G64 PolarHBondContact O-N 3.24Å
65T81.1Confident71Confident11 Ų1170.2 Ų70.27%0.06742%0.417CS..EExtended strand (participates in β ladder)trans-96.3136.8170-690000109.4V48 N50 V67 S101V48-T65 PolarHBondContact N-O 3.17Å; V48-T65 PolarHBondContact O-N 2.78Å; N50-T65 PolarHBondContact ND2-OG1 3.13Å; T65-V67 HydrophobicContact CG2-CG2 4.25Å; T65-S101 WeakPolarHBondContact CG2-OG 3.1Å
66L85.7Confident73.2Confident42 Ų4267.4 Ų67.422%0.2240%0.397CS..EExtended strand (participates in β ladder)trans-84.4123.8170.5-67173.7000109.3L46 L47 Y125L46-L66 CarbonylContact O-C 3.53Å; L46-L66 WeakPolarHBondContact O-CA 3.24Å; L47-L66 HydrophobicContact CB-CD2 4Å; L47-L66 HydrophobicContact CD1-CD2 3.77Å; L47-L66 HydrophobicContact CD1-CG 4.35Å; L66-Y125 HydrophobicContact CB-CD1 3.88Å; L66-Y125 HydrophobicContact CB-CD2 4.3Å; L66-Y125 HydrophobicContact CB-CE1 3.58Å; L66-Y125 HydrophobicContact CB-CE2 4.02Å; L66-Y125 HydrophobicContact CB-CG 4.24Å; L66-Y125 HydrophobicContact CD1-CD1 4.46Å; L66-Y125 HydrophobicContact CD1-CD2 3.77Å; L66-Y125 HydrophobicContact CD1-CE2 4.06Å; L66-Y125 HydrophobicContact CD1-CG 3.99Å; L66-Y125 WeakPolarHBondContact O-CE1 3.16Å; L66-Y125 PolarHBondContact O-OH 3.32Å
67V88.6Confident75.6Confident0 Ų061.5 Ų61.50%038%0.378CS..EExtended strand (participates in β ladder)trans-112.9126.2-178.6-1780000109.1T45 L46 V48 T65 L69 P98T45-V67 CarbonylContact C-O 3.59Å; T45-V67 WeakPolarHBondContact CA-O 3.29Å; L46-V67 PolarHBondContact N-O 3.34Å; L46-V67 PolarHBondContact O-N 3.34Å; V48-V67 HydrophobicContact CB-CG2 4.21Å; V48-V67 HydrophobicContact CG2-CB 4.22Å; V48-V67 HydrophobicContact CG2-CG2 3.67Å; T65-V67 HydrophobicContact CG2-CG2 4.25Å; V67-L69 PolarHBondContact O-N 2.72Å; V67-P98 HydrophobicContact CG1-CG 4.09Å; V67-P98 HydrophobicContact CG2-CB 3.94Å; V67-P98 HydrophobicContact CG2-CG 3.77Å
68P91.1Very high78.2Confident46 Ų4654.7 Ų54.730%0.29934%0.341SS..EExtended strand (participates in β ladder)trans-66133.4177.528.3-34.2000110.1S44 S92 F97S44-P68 CarbonylContact O-C 3.5Å; S44-P68 WeakPolarHBondContact O-CA 3.28Å; P68-S92 WeakPolarHBondContact O-CB 3.35Å; P68-S92 PolarHBondContact O-OG 3.45Å; P68-F97 HydrophobicContact CG-CD1 4.01Å; P68-F97 HydrophobicContact CG-CD2 4.25Å; P68-F97 HydrophobicContact CG-CE1 3.93Å; P68-F97 HydrophobicContact CG-CE2 4.14Å; P68-F97 HydrophobicContact CG-CG 4.18Å; P68-F97 HydrophobicContact CG-CZ 3.98Å
69L93.4Very high80.7Confident5 Ų549.3 Ų49.33%0.02630%0.303CS..EExtended strand (participates in β ladder)trans-139.8126.1-178.7178.369.5000109.3L20 S44 L46 V67 R88 L89L20-L69 HydrophobicContact CD1-CD2 3.72Å; L20-L69 HydrophobicContact CD2-CD2 3.79Å; L20-L69 HydrophobicContact CG-CD2 4.37Å; S44-L69 CarbonylContact C-O 3.49Å; S44-L69 WeakPolarHBondContact CA-O 3.39Å; S44-L69 PolarHBondContact N-O 3.48Å; S44-L69 PolarHBondContact O-N 3.04Å; S44-L69 VanDerWaalsContact O-O 3.05Å; S44-L69 PolarHBondContact OG-O 2.78Å; L46-L69 HydrophobicContact CB-CB 4.42Å; L46-L69 HydrophobicContact CB-CD2 4.48Å; L46-L69 HydrophobicContact CD2-CD2 4.49Å; V67-L69 PolarHBondContact O-N 2.72Å; L69-R88 HydrophobicContact CD1-CB 4.2Å; L69-L89 HydrophobicContact CD1-CB 4.32Å; L69-L89 HydrophobicContact CD1-CD1 4.27Å; L69-L89 HydrophobicContact CD2-CD1 4.33Å
70K94.3Very high83.3Confident119 Ų11947 Ų4752%0.51729%0.289SS..EExtended strand (participates in β ladder)trans-85.3120.5172.8-68.1-178.4-179.6179.70109.7P41 I42 R88P41-K70 HydrophobicContact CB-CB 4.39Å; I42-K70 CarbonylContact O-C 3.55Å; I42-K70 WeakPolarHBondContact O-CA 3.41Å; K70-R88 WeakPolarHBondContact O-CD 3.31Å
71L95.4Very high85.8Confident1 Ų140.9 Ų40.91%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-72.8138.2173.8-71.7179000110.5L20 L23 L27 I42 V73 R88 I132 F167L20-L71 HydrophobicContact CD2-CD2 3.91Å; L23-L71 HydrophobicContact CD2-CD1 4.07Å; L23-L71 HydrophobicContact CG-CD1 4.3Å; L27-L71 HydrophobicContact CD1-CD1 3.81Å; I42-L71 HydrophobicContact CB-CB 4.4Å; I42-L71 PolarHBondContact O-N 3.49Å; L71-V73 HydrophobicContact CB-CG2 3.84Å; L71-V73 PolarHBondContact O-N 3.3Å; L71-R88 PolarHBondContact O-NH1 2.83Å; L71-I132 HydrophobicContact CD1-CD1 4.05Å; L71-I132 HydrophobicContact CD2-CD1 3.62Å; L71-I132 HydrophobicContact CG-CD1 4.07Å; L71-F167 HydrophobicContact CD1-CE2 4.28Å; L71-F167 HydrophobicContact CD1-CZ 3.8Å
72P94.9Very high87.9Confident2 Ų233.3 Ų33.31%0.01321%0.211CC..  trans-77.756.8179.936.8-39.5000112.6D74 V75 R81 E84 A85 R88P72-D74 VanDerWaalsContact C-N 3.28Å; P72-V75 HydrophobicContact CB-CG2 4.23Å; P72-R81 HydrophobicContact CB-CG 3.74Å; P72-R81 HydrophobicContact CG-CG 3.51Å; P72-R81 WeakPolarHBondContact O-CD 3.48Å; P72-R81 WeakPolarHBondContact O-CG 3.29Å; P72-E84 HydrophobicContact CB-CB 3.97Å; P72-E84 HydrophobicContact CB-CG 3.77Å; P72-A85 HydrophobicContact CG-CB 3.98Å; P72-R88 VanDerWaalsContact CA-NH1 3.26Å
73V95.9Very high89.8Confident0 Ų032.7 Ų32.70%019%0.191CC..  trans-76.1-24.3179.5176.10000110.9L27 R28 F31 P39 I42 L71L27-V73 HydrophobicContact CB-CG2 4.1Å; R28-V73 HydrophobicContact CB-CG1 4.11Å; R28-V73 WeakPolarHBondContact CB-O 3.3Å; R28-V73 VanDerWaalsContact CD-O 3.27Å; R28-V73 WeakPolarHBondContact CD-O 3.37Å; R28-V73 VanDerWaalsContact CG-O 3.24Å; R28-V73 WeakPolarHBondContact CG-O 3.27Å; R28-V73 PolarHBondContact NH1-O 3.29Å; F31-V73 HydrophobicContact CD2-CG1 4.09Å; F31-V73 HydrophobicContact CE2-CG1 4.45Å; P39-V73 HydrophobicContact CB-CG1 3.78Å; P39-V73 HydrophobicContact CG-CG1 3.66Å; I42-V73 HydrophobicContact CB-CG2 4.31Å; I42-V73 HydrophobicContact CD1-CB 4.41Å; I42-V73 HydrophobicContact CD1-CG1 4.29Å; I42-V73 HydrophobicContact CD1-CG2 3.67Å; I42-V73 HydrophobicContact CG1-CB 4.25Å; I42-V73 HydrophobicContact CG1-CG1 4.35Å; I42-V73 HydrophobicContact CG1-CG2 3.84Å; L71-V73 HydrophobicContact CB-CG2 3.84Å; L71-V73 PolarHBondContact O-N 3.3Å
74D94.6Very high91.5Very high56 Ų5632.9 Ų32.930%0.29918%0.18SC..SBendtrans-77.1-16.9178.355.5-48.5000114R28 P39 P41 P72 R88R28-D74 VanDerWaalsContact NH1-CA 3.25Å; R28-D74 PolarHBondContact NH1-O 3.26Å; R28-D74 PolarHBondContact NH2-O 3.09Å; P39-D74 VanDerWaalsContact O-CA 3.31Å; P39-D74 WeakPolarHBondContact O-CA 3.32Å; P41-D74 HydrophobicContact CG-CB 4.09Å; P72-D74 VanDerWaalsContact C-N 3.28Å; D74-R88 IonicContact OD1-CZ 2.88Å; D74-R88 IonicContact OD1-NH1 2.79Å; D74-R88 PolarHBondContact OD1-NH1 3.42Å; D74-R88 IonicContact OD1-NH2 2.63Å; D74-R88 PolarHBondContact OD1-NH2 3.4Å; D74-R88 VanDerWaalsContact OD1-NH2 3.12Å; D74-R88 IonicContact OD2-CZ 3.74Å; D74-R88 IonicContact OD2-NH1 2.7Å; D74-R88 IonicContact OD2-NH2 3.9Å; D74-R88 PolarHBondContact OD2-NH2 2.88Å
75V93.7Very high92.5Very high25 Ų2531.6 Ų31.615%0.15217%0.167CC..  trans-91.4131.1-175.3-177.30000112.7R28 P72 P80 R81 E84R28-V75 WeakPolarHBondContact CD-O 2.87Å; R28-V75 PolarHBondContact NE-O 3.42Å; P72-V75 HydrophobicContact CB-CG2 4.23Å; V75-P80 HydrophobicContact CG1-CB 3.83Å; V75-R81 HydrophobicContact CB-CB 4.29Å; V75-R81 HydrophobicContact CB-CG 4.39Å; V75-R81 HydrophobicContact CG1-CB 4.12Å; V75-R81 PolarHBondContact O-NE 3.43Å; V75-R81 PolarHBondContact O-NH2 2.62Å; V75-E84 HydrophobicContact CG2-CB 4.02Å; V75-E84 HydrophobicContact CG2-CG 3.81Å
76D91.7Very high93.1Very high82 Ų8232.2 Ų32.244%0.43917%0.169SC..  trans-86.4145.3172.1-91.3-34.8000113.3R28 R32R28-D76 IonicContact CZ-OD1 3.12Å; R28-D76 IonicContact CZ-OD2 2.91Å; R28-D76 IonicContact NE-OD1 3.24Å; R28-D76 PolarHBondContact NE-OD1 2.88Å; R28-D76 IonicContact NH2-OD1 2.7Å; R28-D76 PolarHBondContact NH2-OD1 3Å; R28-D76 IonicContact NH2-OD2 3.88Å; R28-D76 PolarHBondContact NH2-OD2 2.86Å; R32-D76 IonicContact CZ-OD1 3.92Å; R32-D76 IonicContact CZ-OD2 2.83Å; R32-D76 IonicContact NH1-OD1 2.86Å; R32-D76 PolarHBondContact NH1-OD1 3.43Å; R32-D76 IonicContact NH1-OD2 3.87Å; R32-D76 IonicContact NH2-OD1 3.18Å; R32-D76 PolarHBondContact NH2-OD1 2.94Å; R32-D76 IonicContact NH2-OD2 2.78Å; R32-D76 PolarHBondContact NH2-OD2 3.28Å
77G91.5Very high93.5Very high31 Ų3133.6 Ų33.632%0.3218%0.175SC..SBendtrans80.9148.1-176.300000112.9R81G77-R81 WeakPolarHBondContact O-CB 3.21Å; G77-R81 PolarHBondContact O-N 3.04Å
78V91.9Very high93.7Very high2 Ų234.9 Ų34.91%0.01218%0.18CC..Hα-helixtrans-73.3-46.1-176.4-170.70000111R81 V82 L205 L206V78-R81 WeakPolarHBondContact O-CB 3.47Å; V78-R81 PolarHBondContact O-N 3.38Å; V78-V82 WeakPolarHBondContact O-CG2 3.29Å; V78-V82 PolarHBondContact O-N 3.02Å; V78-L205 HydrophobicContact CG2-CB 3.82Å; V78-L205 HydrophobicContact CG2-CD1 4.48Å; V78-L206 HydrophobicContact CG1-CB 3.92Å; V78-L206 HydrophobicContact CG1-CD1 3.47Å; V78-L206 VanDerWaalsContact CG1-CD1 3.47Å; V78-L206 HydrophobicContact CG1-CG 4.3Å
79I92.6Very high93.8Very high16 Ų1632.9 Ų32.98%0.08217%0.166CC..Hα-helixtrans-66.1-50.1-177.5-61.5171.3000113L11 R81 V82 W83 Q209L11-I79 HydrophobicContact CD2-CG1 4.26Å; L11-I79 HydrophobicContact CD2-CG2 4.17Å; I79-R81 PolarHBondContact O-N 3.46Å; I79-V82 WeakPolarHBondContact O-CB 3.34Å; I79-V82 PolarHBondContact O-N 3.11Å; I79-W83 HydrophobicContact CG2-CD2 4.09Å; I79-W83 HydrophobicContact CG2-CE3 4.3Å; I79-W83 HydrophobicContact CG2-CH2 3.68Å; I79-W83 HydrophobicContact CG2-CZ2 3.42Å; I79-W83 VanDerWaalsContact CG2-CZ2 3.42Å; I79-W83 HydrophobicContact CG2-CZ3 4.11Å; I79-W83 PolarHBondContact O-N 2.96Å; I79-W83 VanDerWaalsContact O-N 3.14Å; I79-Q209 HydrophobicContact CD1-CB 4.36Å
80P94.3Very high93.7Very high56 Ų5634.2 Ų34.236%0.36418%0.175SC..Hα-helixtrans-58.4-35175.7-24.435.4000112.2V75 W83 E84V75-P80 HydrophobicContact CG1-CB 3.83Å; P80-W83 PolarHBondContact O-N 2.9Å; P80-E84 WeakPolarHBondContact O-CB 3.48Å; P80-E84 PolarHBondContact O-N 3.38Å
81R94.8Very high93.6Very high8 Ų834.9 Ų34.93%0.0318%0.175CC..Hα-helixtrans-67.9-35.8176.5-167.6-173.3-54.7133.6-1.3112.8S21 P72 V75 G77 V78 I79 A85 E202S21-R81 WeakPolarHBondContact O-CD 3.5Å; P72-R81 HydrophobicContact CB-CG 3.74Å; P72-R81 HydrophobicContact CG-CG 3.51Å; P72-R81 WeakPolarHBondContact O-CD 3.48Å; P72-R81 WeakPolarHBondContact O-CG 3.29Å; V75-R81 HydrophobicContact CB-CB 4.29Å; V75-R81 HydrophobicContact CB-CG 4.39Å; V75-R81 HydrophobicContact CG1-CB 4.12Å; V75-R81 PolarHBondContact O-NE 3.43Å; V75-R81 PolarHBondContact O-NH2 2.62Å; G77-R81 WeakPolarHBondContact O-CB 3.21Å; G77-R81 PolarHBondContact O-N 3.04Å; V78-R81 WeakPolarHBondContact O-CB 3.47Å; V78-R81 PolarHBondContact O-N 3.38Å; I79-R81 PolarHBondContact O-N 3.46Å; R81-A85 WeakPolarHBondContact O-CB 3.33Å; R81-A85 PolarHBondContact O-N 3.26Å; R81-E202 IonicContact CZ-OE2 2.82Å; R81-E202 IonicContact NH1-OE1 2.77Å; R81-E202 IonicContact NH1-OE2 3.82Å; R81-E202 PolarHBondContact NH1-OE2 2.89Å
82V94.2Very high93.3Very high0 Ų035.8 Ų35.80%018%0.181CC..Hα-helixtrans-58.2-54.8170.5173.20000109L11 C13 L18 S21 V78 I79 E84 A85 Q86L11-V82 HydrophobicContact CD1-CG1 4.23Å; L11-V82 HydrophobicContact CD1-CG2 4.13Å; C13-V82 HydrophobicContact CB-CG1 3.9Å; L18-V82 HydrophobicContact CD1-CG2 3.76Å; S21-V82 VanDerWaalsContact OG-CG2 3.22Å; S21-V82 WeakPolarHBondContact OG-CG2 3.22Å; V78-V82 WeakPolarHBondContact O-CG2 3.29Å; V78-V82 PolarHBondContact O-N 3.02Å; I79-V82 WeakPolarHBondContact O-CB 3.34Å; I79-V82 PolarHBondContact O-N 3.11Å; V82-E84 VanDerWaalsContact C-N 3.33Å; V82-E84 PolarHBondContact O-N 3.29Å; V82-A85 WeakPolarHBondContact O-CA 3.46Å; V82-A85 VanDerWaalsContact O-CB 3.27Å; V82-A85 WeakPolarHBondContact O-CB 3.36Å; V82-A85 PolarHBondContact O-N 3.4Å; V82-Q86 HydrophobicContact CG1-CG 4.35Å; V82-Q86 VanDerWaalsContact O-CG 3.28Å; V82-Q86 WeakPolarHBondContact O-CG 3.48Å; V82-Q86 PolarHBondContact O-N 2.87Å
83W93.8Very high93Very high111 Ų11139.2 Ų39.242%0.4220%0.199SC..Hα-helixtrans-57.9-43.2-178.9-61.4-30.9000113I79 P80 A85 Q86 E87I79-W83 HydrophobicContact CG2-CD2 4.09Å; I79-W83 HydrophobicContact CG2-CE3 4.3Å; I79-W83 HydrophobicContact CG2-CH2 3.68Å; I79-W83 HydrophobicContact CG2-CZ2 3.42Å; I79-W83 VanDerWaalsContact CG2-CZ2 3.42Å; I79-W83 HydrophobicContact CG2-CZ3 4.11Å; I79-W83 PolarHBondContact O-N 2.96Å; I79-W83 VanDerWaalsContact O-N 3.14Å; P80-W83 PolarHBondContact O-N 2.9Å; W83-A85 VanDerWaalsContact C-N 3.33Å; W83-A85 PolarHBondContact O-N 3.19Å; W83-Q86 WeakPolarHBondContact O-CB 3.5Å; W83-Q86 PolarHBondContact O-N 3.5Å; W83-E87 PolarHBondContact O-N 3.17Å
84E94.8Very high92.5Very high48 Ų4845.6 Ų45.622%0.22423%0.229CC..Hα-helixtrans-63.4-39.1174.6-171.570.6-164.400111.7P72 V75 P80 V82 Q86 E87 R88P72-E84 HydrophobicContact CB-CB 3.97Å; P72-E84 HydrophobicContact CB-CG 3.77Å; V75-E84 HydrophobicContact CG2-CB 4.02Å; V75-E84 HydrophobicContact CG2-CG 3.81Å; P80-E84 WeakPolarHBondContact O-CB 3.48Å; P80-E84 PolarHBondContact O-N 3.38Å; V82-E84 VanDerWaalsContact C-N 3.33Å; V82-E84 PolarHBondContact O-N 3.29Å; E84-Q86 VanDerWaalsContact C-N 3.33Å; E84-Q86 PolarHBondContact O-N 3Å; E84-E87 PolarHBondContact O-N 3.36Å; E84-R88 HydrophobicContact CG-CG 4.28Å; E84-R88 VanDerWaalsContact CG-NE 3.29Å; E84-R88 WeakPolarHBondContact O-CB 3.49Å; E84-R88 VanDerWaalsContact O-CG 3.25Å; E84-R88 WeakPolarHBondContact O-CG 3.37Å; E84-R88 PolarHBondContact O-N 3.34Å; E84-R88 IonicContact OE1-CZ 3.87Å; E84-R88 IonicContact OE1-NE 2.64Å; E84-R88 PolarHBondContact OE1-NE 3.42Å; E84-R88 IonicContact OE1-NH2 2.9Å; E84-R88 PolarHBondContact OE1-NH2 2.91Å
85A94.2Very high92.1Very high3 Ų345.1 Ų45.13%0.02523%0.23CC..Hα-helixtrans-61.5-41.7174.100000111.5L20 P72 R81 V82 W83 L89L20-A85 HydrophobicContact CB-CB 4.36Å; P72-A85 HydrophobicContact CG-CB 3.98Å; R81-A85 WeakPolarHBondContact O-CB 3.33Å; R81-A85 PolarHBondContact O-N 3.26Å; V82-A85 WeakPolarHBondContact O-CA 3.46Å; V82-A85 VanDerWaalsContact O-CB 3.27Å; V82-A85 WeakPolarHBondContact O-CB 3.36Å; V82-A85 PolarHBondContact O-N 3.4Å; W83-A85 VanDerWaalsContact C-N 3.33Å; W83-A85 PolarHBondContact O-N 3.19Å; A85-L89 WeakPolarHBondContact O-CB 3.17Å; A85-L89 PolarHBondContact O-N 3.49Å
86Q94.2Very high91.8Very high23 Ų2347.5 Ų47.511%0.10725%0.252CS..Hα-helixtrans-60.6-51175.6-52.9-171.4-78.800110.4R12 C13 E17 V82 W83 E84 R88 L89 C90R12-Q86 PolarHBondContact O-NE2 2.84Å; C13-Q86 HydrophobicContact CB-CG 4.15Å; E17-Q86 HydrophobicContact CB-CG 4.02Å; E17-Q86 HydrophobicContact CG-CB 4.44Å; E17-Q86 HydrophobicContact CG-CG 4.13Å; E17-Q86 VanDerWaalsContact OE2-CG 3.3Å; E17-Q86 WeakPolarHBondContact OE2-CG 3.36Å; E17-Q86 PolarHBondContact OE2-NE2 3.08Å; V82-Q86 HydrophobicContact CG1-CG 4.35Å; V82-Q86 VanDerWaalsContact O-CG 3.28Å; V82-Q86 WeakPolarHBondContact O-CG 3.48Å; V82-Q86 PolarHBondContact O-N 2.87Å; W83-Q86 WeakPolarHBondContact O-CB 3.5Å; W83-Q86 PolarHBondContact O-N 3.5Å; E84-Q86 VanDerWaalsContact C-N 3.33Å; E84-Q86 PolarHBondContact O-N 3Å; Q86-R88 PolarHBondContact O-N 2.9Å; Q86-L89 PolarHBondContact O-N 3.47Å; Q86-C90 WeakPolarHBondContact O-CB 3.4Å; Q86-C90 PolarHBondContact O-N 2.95Å; Q86-C90 PolarHBondContact O-SG 3.32Å; Q86-C90 VanDerWaalsContact O-SG 3.41Å
87E93.6Very high91.5Very high72 Ų7247 Ų4734%0.33625%0.246SC..Hα-helixtrans-64.6-43.3-176.2-158.8-173-160.200111.6W83 E84 R91W83-E87 PolarHBondContact O-N 3.17Å; E84-E87 PolarHBondContact O-N 3.36Å; E87-R91 VanDerWaalsContact CG-CZ 3.44Å; E87-R91 WeakPolarHBondContact O-CB 3.4Å; E87-R91 WeakPolarHBondContact O-CG 3.33Å; E87-R91 PolarHBondContact O-N 3Å; E87-R91 IonicContact OE1-CZ 3.76Å; E87-R91 VanDerWaalsContact OE1-CZ 3.24Å; E87-R91 IonicContact OE1-NE 3.17Å; E87-R91 IonicContact OE1-NH1 2.87Å; E87-R91 IonicContact OE1-NH2 2.63Å; E87-R91 PolarHBondContact OE1-NH2 3.44Å; E87-R91 IonicContact OE2-CZ 3.72Å; E87-R91 IonicContact OE2-NH1 3.52Å; E87-R91 PolarHBondContact OE2-NH1 2.89Å; E87-R91 IonicContact OE2-NH2 3.69Å; E87-R91 PolarHBondContact OE2-NH2 3.02Å
88R93.6Very high91.1Very high27 Ų2746.3 Ų46.310%0.10224%0.236CC..Hα-helixtrans-65.7-40.9176.5-69.6-178.6-172.6179.39.8111.9L69 K70 L71 P72 D74 E84 Q86 S92L69-R88 HydrophobicContact CD1-CB 4.2Å; K70-R88 WeakPolarHBondContact O-CD 3.31Å; L71-R88 PolarHBondContact O-NH1 2.83Å; P72-R88 VanDerWaalsContact CA-NH1 3.26Å; D74-R88 IonicContact OD1-CZ 2.88Å; D74-R88 IonicContact OD1-NH1 2.79Å; D74-R88 PolarHBondContact OD1-NH1 3.42Å; D74-R88 IonicContact OD1-NH2 2.63Å; D74-R88 PolarHBondContact OD1-NH2 3.4Å; D74-R88 VanDerWaalsContact OD1-NH2 3.12Å; D74-R88 IonicContact OD2-CZ 3.74Å; D74-R88 IonicContact OD2-NH1 2.7Å; D74-R88 IonicContact OD2-NH2 3.9Å; D74-R88 PolarHBondContact OD2-NH2 2.88Å; E84-R88 HydrophobicContact CG-CG 4.28Å; E84-R88 VanDerWaalsContact CG-NE 3.29Å; E84-R88 WeakPolarHBondContact O-CB 3.49Å; E84-R88 VanDerWaalsContact O-CG 3.25Å; E84-R88 WeakPolarHBondContact O-CG 3.37Å; E84-R88 PolarHBondContact O-N 3.34Å; E84-R88 IonicContact OE1-CZ 3.87Å; E84-R88 IonicContact OE1-NE 2.64Å; E84-R88 PolarHBondContact OE1-NE 3.42Å; E84-R88 IonicContact OE1-NH2 2.9Å; E84-R88 PolarHBondContact OE1-NH2 2.91Å; Q86-R88 PolarHBondContact O-N 2.9Å; R88-S92 WeakPolarHBondContact O-CB 3.49Å; R88-S92 PolarHBondContact O-N 3.4Å; R88-S92 PolarHBondContact O-OG 3.35Å
89L92.5Very high90.7Very high4 Ų451.6 Ų51.62%0.02126%0.261CS..Hα-helixtrans-66.4-48.2177-176.864.2000111.6E17 L20 L46 L69 A85 Q86 R91 S92 L93E17-L89 HydrophobicContact CG-CD2 3.67Å; L20-L89 HydrophobicContact CD1-CD1 4.18Å; L20-L89 HydrophobicContact CD1-CD2 4.05Å; L20-L89 HydrophobicContact CD1-CG 4.49Å; L46-L89 HydrophobicContact CD2-CD1 3.43Å; L46-L89 VanDerWaalsContact CD2-CD1 3.43Å; L69-L89 HydrophobicContact CD1-CB 4.32Å; L69-L89 HydrophobicContact CD1-CD1 4.27Å; L69-L89 HydrophobicContact CD2-CD1 4.33Å; A85-L89 WeakPolarHBondContact O-CB 3.17Å; A85-L89 PolarHBondContact O-N 3.49Å; Q86-L89 PolarHBondContact O-N 3.47Å; L89-R91 PolarHBondContact O-N 2.9Å; L89-S92 PolarHBondContact O-N 3.25Å; L89-L93 HydrophobicContact CD1-CD1 3.9Å; L89-L93 HydrophobicContact CD1-CG 4.06Å; L89-L93 HydrophobicContact CD2-CD1 4.47Å; L89-L93 HydrophobicContact CG-CD1 3.87Å; L89-L93 HydrophobicContact CG-CG 4.35Å; L89-L93 WeakPolarHBondContact O-CB 3.38Å; L89-L93 WeakPolarHBondContact O-CG 3.42Å; L89-L93 PolarHBondContact O-N 2.82Å
90C91.4Very high90.5Very high32 Ų3253.3 Ų53.322%0.21628%0.278CS..Hα-helixtrans-57.2-50175.5-76.30000110.9Q86 S92 L93 E94Q86-C90 WeakPolarHBondContact O-CB 3.4Å; Q86-C90 PolarHBondContact O-N 2.95Å; Q86-C90 PolarHBondContact O-SG 3.32Å; Q86-C90 VanDerWaalsContact O-SG 3.41Å; C90-S92 VanDerWaalsContact C-N 3.3Å; C90-S92 PolarHBondContact O-N 3.07Å; C90-L93 PolarHBondContact O-N 3.37Å; C90-E94 VanDerWaalsContact O-CB 3.23Å; C90-E94 WeakPolarHBondContact O-CB 3.42Å; C90-E94 WeakPolarHBondContact O-CG 3.47Å; C90-E94 PolarHBondContact O-N 3.08Å
91R91.5Very high90Very high134 Ų13451 Ų5151%0.50626%0.262SS..Hα-helixtrans-57.4-42.2176.4-74.6177.1-173.6134.3-11.8112.4E87 L89 S95E87-R91 VanDerWaalsContact CG-CZ 3.44Å; E87-R91 WeakPolarHBondContact O-CB 3.4Å; E87-R91 WeakPolarHBondContact O-CG 3.33Å; E87-R91 PolarHBondContact O-N 3Å; E87-R91 IonicContact OE1-CZ 3.76Å; E87-R91 VanDerWaalsContact OE1-CZ 3.24Å; E87-R91 IonicContact OE1-NE 3.17Å; E87-R91 IonicContact OE1-NH1 2.87Å; E87-R91 IonicContact OE1-NH2 2.63Å; E87-R91 PolarHBondContact OE1-NH2 3.44Å; E87-R91 IonicContact OE2-CZ 3.72Å; E87-R91 IonicContact OE2-NH1 3.52Å; E87-R91 PolarHBondContact OE2-NH1 2.89Å; E87-R91 IonicContact OE2-NH2 3.69Å; E87-R91 PolarHBondContact OE2-NH2 3.02Å; L89-R91 PolarHBondContact O-N 2.9Å; R91-S95 VanDerWaalsContact O-CB 3.22Å; R91-S95 WeakPolarHBondContact O-CB 3.23Å; R91-S95 PolarHBondContact O-N 2.93Å
92S89.6Confident89.5Confident20 Ų2055.4 Ų55.414%0.1428%0.279CS..Hα-helixtrans-65.9-42.7178.3-77.30000112.3P68 R88 L89 C90 S95P68-S92 WeakPolarHBondContact O-CB 3.35Å; P68-S92 PolarHBondContact O-OG 3.45Å; R88-S92 WeakPolarHBondContact O-CB 3.49Å; R88-S92 PolarHBondContact O-N 3.4Å; R88-S92 PolarHBondContact O-OG 3.35Å; L89-S92 PolarHBondContact O-N 3.25Å; C90-S92 VanDerWaalsContact C-N 3.3Å; C90-S92 PolarHBondContact O-N 3.07Å; S92-S95 PolarHBondContact O-OG 3.09Å
93L87.7Confident89.2Confident74 Ų7460.4 Ų60.439%0.38731%0.305SS..Hα-helixtrans-77.9-35.6-178.4-66.5178.2000113.4V48 L89 C90 S95V48-L93 HydrophobicContact CG1-CD2 4.46Å; V48-L93 HydrophobicContact CG2-CD2 3.77Å; L89-L93 HydrophobicContact CD1-CD1 3.9Å; L89-L93 HydrophobicContact CD1-CG 4.06Å; L89-L93 HydrophobicContact CD2-CD1 4.47Å; L89-L93 HydrophobicContact CG-CD1 3.87Å; L89-L93 HydrophobicContact CG-CG 4.35Å; L89-L93 WeakPolarHBondContact O-CB 3.38Å; L89-L93 WeakPolarHBondContact O-CG 3.42Å; L89-L93 PolarHBondContact O-N 2.82Å; C90-L93 PolarHBondContact O-N 3.37Å; L93-S95 VanDerWaalsContact C-N 3.33Å
94E86.3Confident88.9Confident134 Ų13458.7 Ų58.763%0.62630%0.301SS*.Hα-helixtrans-80.8-14.8176.7-67.4178.2175.300112.6C90C90-E94 VanDerWaalsContact O-CB 3.23Å; C90-E94 WeakPolarHBondContact O-CB 3.42Å; C90-E94 WeakPolarHBondContact O-CG 3.47Å; C90-E94 PolarHBondContact O-N 3.08Å
95S86.1Confident88.5Confident45 Ų4557.6 Ų57.632%0.31530%0.3SS..SBendtrans-60.9155.9172.873.60000110.8R91 S92 L93 F97 P98R91-S95 VanDerWaalsContact O-CB 3.22Å; R91-S95 WeakPolarHBondContact O-CB 3.23Å; R91-S95 PolarHBondContact O-N 2.93Å; S92-S95 PolarHBondContact O-OG 3.09Å; L93-S95 VanDerWaalsContact C-N 3.33Å; S95-F97 PolarHBondContact O-N 2.94Å; S95-F97 VanDerWaalsContact OG-CB 3.24Å; S95-F97 WeakPolarHBondContact OG-CB 3.35Å; S95-F97 PolarHBondContact OG-N 3.26Å; S95-P98 WeakPolarHBondContact O-CD 3.39Å
96A87.1Confident88.1Confident76 Ų7660.8 Ų60.863%0.62832%0.317SS*.SBendtrans-67-4.2170.900000112.9E99 A100A96-E99 PolarHBondContact O-N 2.64Å; A96-A100 WeakPolarHBondContact O-CB 3.37Å; A96-A100 PolarHBondContact O-N 3.08Å
97F86.3Confident87.9Confident70 Ų7062 Ų6231%0.30733%0.331SS..Hα-helixtrans-63-47.4-173.4-170.9-81.6000113.7P68 S95 E99 A100 S101 Y125P68-F97 HydrophobicContact CG-CD1 4.01Å; P68-F97 HydrophobicContact CG-CD2 4.25Å; P68-F97 HydrophobicContact CG-CE1 3.93Å; P68-F97 HydrophobicContact CG-CE2 4.14Å; P68-F97 HydrophobicContact CG-CG 4.18Å; P68-F97 HydrophobicContact CG-CZ 3.98Å; S95-F97 PolarHBondContact O-N 2.94Å; S95-F97 VanDerWaalsContact OG-CB 3.24Å; S95-F97 WeakPolarHBondContact OG-CB 3.35Å; S95-F97 PolarHBondContact OG-N 3.26Å; F97-E99 VanDerWaalsContact C-N 3.28Å; F97-E99 PolarHBondContact O-N 3.45Å; F97-A100 PolarHBondContact O-N 2.92Å; F97-S101 WeakPolarHBondContact O-CB 3.4Å; F97-S101 PolarHBondContact O-N 3.34Å; F97-S101 PolarHBondContact O-OG 3.37Å; F97-Y125 HydrophobicContact CE1-CE1 4.2Å; F97-Y125 HydrophobicContact CZ-CE1 4.2Å
98P82.6Confident87.7Confident17 Ų1759.6 Ų59.611%0.1132%0.32CS..Hα-helixtrans-61.2-38.4-178.8-21.234.3000112.2V67 S95 S101 W102V67-P98 HydrophobicContact CG1-CG 4.09Å; V67-P98 HydrophobicContact CG2-CB 3.94Å; V67-P98 HydrophobicContact CG2-CG 3.77Å; S95-P98 WeakPolarHBondContact O-CD 3.39Å; P98-S101 WeakPolarHBondContact CA-OG 3.24Å; P98-S101 PolarHBondContact O-OG 3.18Å; P98-S101 VanDerWaalsContact O-OG 3.1Å; P98-W102 VanDerWaalsContact O-CB 3.3Å; P98-W102 WeakPolarHBondContact O-CB 3.22Å; P98-W102 PolarHBondContact O-N 2.9Å; P98-W102 VanDerWaalsContact O-N 3.12Å
99E84Confident87.3Confident113 Ų11361.7 Ų61.753%0.52834%0.339SS..Hα-helixtrans-72.9-46.6177.5-57.8-159.6134.900111.7K53 A96 F97 S101 W102 L103K53-E99 IonicContact NZ-OE1 2.97Å; K53-E99 PolarHBondContact NZ-OE1 3.24Å; A96-E99 PolarHBondContact O-N 2.64Å; F97-E99 VanDerWaalsContact C-N 3.28Å; F97-E99 PolarHBondContact O-N 3.45Å; E99-S101 PolarHBondContact O-N 2.9Å; E99-W102 PolarHBondContact O-N 2.9Å; E99-L103 WeakPolarHBondContact O-CG 3.22Å; E99-L103 PolarHBondContact O-N 3.08Å
100A87.6Confident87.2Confident53 Ų5365.7 Ų65.744%0.43837%0.373SS..Hα-helixtrans-63.8-41.4178.300000112.2A96 F97 L103 F104A96-A100 WeakPolarHBondContact O-CB 3.37Å; A96-A100 PolarHBondContact O-N 3.08Å; F97-A100 PolarHBondContact O-N 2.92Å; A100-L103 PolarHBondContact O-N 3.33Å; A100-F104 WeakPolarHBondContact O-CB 3.44Å; A100-F104 PolarHBondContact O-N 3.32Å
101S84.6Confident87.3Confident6 Ų671 Ų714%0.04240%0.398CS..Hα-helixtrans-68.8-35.6178.257.70000112.2T65 F97 P98 E99 A105T65-S101 WeakPolarHBondContact CG2-OG 3.1Å; F97-S101 WeakPolarHBondContact O-CB 3.4Å; F97-S101 PolarHBondContact O-N 3.34Å; F97-S101 PolarHBondContact O-OG 3.37Å; P98-S101 WeakPolarHBondContact CA-OG 3.24Å; P98-S101 PolarHBondContact O-OG 3.18Å; P98-S101 VanDerWaalsContact O-OG 3.1Å; E99-S101 PolarHBondContact O-N 2.9Å; S101-A105 VanDerWaalsContact O-CB 3.26Å; S101-A105 WeakPolarHBondContact O-CB 3.33Å; S101-A105 PolarHBondContact O-N 2.96Å
102W83.9Confident87.3Confident101 Ų10167.6 Ų67.638%0.38339%0.389SS..Hα-helixtrans-65.2-48.1171.8-179.778.8000111.7P98 E99 F104 A105 N106P98-W102 VanDerWaalsContact O-CB 3.3Å; P98-W102 WeakPolarHBondContact O-CB 3.22Å; P98-W102 PolarHBondContact O-N 2.9Å; P98-W102 VanDerWaalsContact O-N 3.12Å; E99-W102 PolarHBondContact O-N 2.9Å; W102-F104 VanDerWaalsContact C-N 3.31Å; W102-F104 PolarHBondContact O-N 2.97Å; W102-A105 PolarHBondContact O-N 3.4Å; W102-N106 VanDerWaalsContact CD2-ND2 3.34Å; W102-N106 VanDerWaalsContact CH2-ND2 3.33Å; W102-N106 WeakPolarHBondContact CH2-ND2 3.48Å; W102-N106 WeakPolarHBondContact CZ2-ND2 3.38Å; W102-N106 PolarHBondContact NE1-ND2 3.17Å; W102-N106 WeakPolarHBondContact O-CB 3.5Å; W102-N106 VanDerWaalsContact O-CG 3.32Å; W102-N106 PolarHBondContact O-N 3.04Å
103L87Confident87.3Confident105 Ų10570.4 Ų70.455%0.5541%0.407SS..Hα-helixtrans-59-43.6175.5-73.8173.8000111.6E99 A100 N106 A107E99-L103 WeakPolarHBondContact O-CG 3.22Å; E99-L103 PolarHBondContact O-N 3.08Å; A100-L103 PolarHBondContact O-N 3.33Å; L103-N106 PolarHBondContact O-N 3.23Å; L103-A107 VanDerWaalsContact O-CB 3.26Å; L103-A107 WeakPolarHBondContact O-CB 3.38Å; L103-A107 PolarHBondContact O-N 3.41Å
104F88.6Confident87.2Confident76 Ų7671.2 Ų71.233%0.33342%0.416SS..Hα-helixtrans-62-48.2176.7176.3-96.4000112A100 W102 N106 A107 I108 I120 V121 L124A100-F104 WeakPolarHBondContact O-CB 3.44Å; A100-F104 PolarHBondContact O-N 3.32Å; W102-F104 VanDerWaalsContact C-N 3.31Å; W102-F104 PolarHBondContact O-N 2.97Å; F104-N106 VanDerWaalsContact C-N 3.3Å; F104-N106 PolarHBondContact O-N 2.98Å; F104-A107 PolarHBondContact O-N 3.04Å; F104-I108 HydrophobicContact CD1-CD1 3.93Å; F104-I108 HydrophobicContact CD2-CD1 4.07Å; F104-I108 HydrophobicContact CD2-CG1 4.43Å; F104-I108 HydrophobicContact CE1-CD1 3.29Å; F104-I108 HydrophobicContact CE1-CG1 4.33Å; F104-I108 HydrophobicContact CE2-CD1 3.47Å; F104-I108 VanDerWaalsContact CE2-CD1 3.47Å; F104-I108 HydrophobicContact CE2-CG1 4.23Å; F104-I108 HydrophobicContact CG-CD1 4.3Å; F104-I108 HydrophobicContact CZ-CD1 3.07Å; F104-I108 HydrophobicContact CZ-CG1 4.21Å; F104-I108 WeakPolarHBondContact O-CB 3.35Å; F104-I108 WeakPolarHBondContact O-CG1 3.47Å; F104-I108 PolarHBondContact O-N 3.27Å; F104-I120 HydrophobicContact CE1-CG2 4.39Å; F104-I120 HydrophobicContact CZ-CG2 4.05Å; F104-V121 HydrophobicContact CE1-CG2 4.37Å; F104-L124 HydrophobicContact CD1-CD1 3.55Å; F104-L124 HydrophobicContact CE1-CD1 3.2Å; F104-L124 HydrophobicContact CE1-CG 3.99Å; F104-L124 HydrophobicContact CZ-CD1 3.91Å; F104-L124 HydrophobicContact CZ-CG 4.41Å
105A85.5Confident87.2Confident24 Ų2468.6 Ų68.620%0.19841%0.41CS..Hα-helixtrans-61.3-40.717900000111.6S101 W102 S109 V121S101-A105 VanDerWaalsContact O-CB 3.26Å; S101-A105 WeakPolarHBondContact O-CB 3.33Å; S101-A105 PolarHBondContact O-N 2.96Å; W102-A105 PolarHBondContact O-N 3.4Å; A105-S109 VanDerWaalsContact O-CB 3.24Å; A105-S109 WeakPolarHBondContact O-CB 3.46Å; A105-S109 PolarHBondContact O-N 2.86Å; A105-S109 PolarHBondContact O-OG 3.44Å; A105-V121 HydrophobicContact CB-CG2 4.19Å
106N86.4Confident87.2Confident71 Ų7170.3 Ų70.338%0.3842%0.415SS..Hα-helixtrans-68.2-45.6176-71.2-14.8000112.3W102 L103 F104 I108 S109 A110W102-N106 VanDerWaalsContact CD2-ND2 3.34Å; W102-N106 VanDerWaalsContact CH2-ND2 3.33Å; W102-N106 WeakPolarHBondContact CH2-ND2 3.48Å; W102-N106 WeakPolarHBondContact CZ2-ND2 3.38Å; W102-N106 PolarHBondContact NE1-ND2 3.17Å; W102-N106 WeakPolarHBondContact O-CB 3.5Å; W102-N106 VanDerWaalsContact O-CG 3.32Å; W102-N106 PolarHBondContact O-N 3.04Å; L103-N106 PolarHBondContact O-N 3.23Å; F104-N106 VanDerWaalsContact C-N 3.3Å; F104-N106 PolarHBondContact O-N 2.98Å; N106-I108 VanDerWaalsContact C-N 3.34Å; N106-I108 PolarHBondContact O-N 3.5Å; N106-S109 PolarHBondContact O-N 3.32Å; N106-A110 WeakPolarHBondContact O-CB 3.39Å; N106-A110 PolarHBondContact O-N 2.94Å
107A91Very high87.1Confident49 Ų4966.8 Ų66.841%0.40539%0.386SS..Hα-helixtrans-60.8-44.8178.400000111.2L103 F104 A110 L111L103-A107 VanDerWaalsContact O-CB 3.26Å; L103-A107 WeakPolarHBondContact O-CB 3.38Å; L103-A107 PolarHBondContact O-N 3.41Å; F104-A107 PolarHBondContact O-N 3.04Å; A107-A110 PolarHBondContact O-N 3.25Å; A107-L111 WeakPolarHBondContact O-CB 3.39Å; A107-L111 VanDerWaalsContact O-CG 3.26Å; A107-L111 WeakPolarHBondContact O-CG 3.06Å; A107-L111 PolarHBondContact O-N 2.94Å; A107-L111 VanDerWaalsContact O-N 3.09Å
108I88.6Confident86.9Confident20 Ų2069.7 Ų69.710%0.10340%0.4CS..Hα-helixtrans-65.6-41.4176.8-74.9-167.8000111.7F104 N106 A110 L111 L112 A117 I120 V121F104-I108 HydrophobicContact CD1-CD1 3.93Å; F104-I108 HydrophobicContact CD2-CD1 4.07Å; F104-I108 HydrophobicContact CD2-CG1 4.43Å; F104-I108 HydrophobicContact CE1-CD1 3.29Å; F104-I108 HydrophobicContact CE1-CG1 4.33Å; F104-I108 HydrophobicContact CE2-CD1 3.47Å; F104-I108 VanDerWaalsContact CE2-CD1 3.47Å; F104-I108 HydrophobicContact CE2-CG1 4.23Å; F104-I108 HydrophobicContact CG-CD1 4.3Å; F104-I108 HydrophobicContact CZ-CD1 3.07Å; F104-I108 HydrophobicContact CZ-CG1 4.21Å; F104-I108 WeakPolarHBondContact O-CB 3.35Å; F104-I108 WeakPolarHBondContact O-CG1 3.47Å; F104-I108 PolarHBondContact O-N 3.27Å; N106-I108 VanDerWaalsContact C-N 3.34Å; N106-I108 PolarHBondContact O-N 3.5Å; I108-A110 PolarHBondContact O-N 3.4Å; I108-L111 PolarHBondContact O-N 2.88Å; I108-L112 HydrophobicContact CG2-CD1 4.18Å; I108-L112 WeakPolarHBondContact O-CB 3.18Å; I108-L112 PolarHBondContact O-N 3.38Å; I108-A117 VanDerWaalsContact CG2-CA 3.48Å; I108-A117 HydrophobicContact CG2-CB 3.58Å; I108-I120 HydrophobicContact CD1-CB 4.25Å; I108-I120 HydrophobicContact CD1-CG2 3.53Å; I108-V121 HydrophobicContact CG2-CG2 4.46Å
109S85.9Confident86.9Confident72 Ų7278.2 Ų78.250%0.50343%0.43SS..Hα-helixtrans-68.1-25.6178.7-58.40000112.6A105 N106A105-S109 VanDerWaalsContact O-CB 3.24Å; A105-S109 WeakPolarHBondContact O-CB 3.46Å; A105-S109 PolarHBondContact O-N 2.86Å; A105-S109 PolarHBondContact O-OG 3.44Å; N106-S109 PolarHBondContact O-N 3.32Å
110A89.5Confident87Confident88 Ų8876 Ų7673%0.72742%0.421SS*.Hα-helixtrans-78.1-31.3172.800000112.9N106 A107 I108N106-A110 WeakPolarHBondContact O-CB 3.39Å; N106-A110 PolarHBondContact O-N 2.94Å; A107-A110 PolarHBondContact O-N 3.25Å; I108-A110 PolarHBondContact O-N 3.4Å
111L93.5Very high86.6Confident142 Ų14274.8 Ų74.874%0.74341%0.409SS*.Hα-helixtrans-91.5-30.3-175.2-69.4171.5000113.8A107 I108A107-L111 WeakPolarHBondContact O-CB 3.39Å; A107-L111 VanDerWaalsContact O-CG 3.26Å; A107-L111 WeakPolarHBondContact O-CG 3.06Å; A107-L111 PolarHBondContact O-N 2.94Å; A107-L111 VanDerWaalsContact O-N 3.09Å; I108-L111 PolarHBondContact O-N 2.88Å
112L91.7Very high86.3Confident63 Ų6376.3 Ų76.333%0.3343%0.425SS..SBendtrans-122.4149.4-171-62.6177.5000111.8I108 T114 I116 A117 I120I108-L112 HydrophobicContact CG2-CD1 4.18Å; I108-L112 WeakPolarHBondContact O-CB 3.18Å; I108-L112 PolarHBondContact O-N 3.38Å; L112-T114 PolarHBondContact O-N 2.92Å; L112-I116 HydrophobicContact CB-CB 4.47Å; L112-I116 HydrophobicContact CD1-CG2 3.94Å; L112-A117 HydrophobicContact CB-CB 4.42Å; L112-I120 HydrophobicContact CD1-CD1 3.34Å
113P90.4Very high86.1Confident79 Ų7974.9 Ų74.951%0.51344%0.435SS..  trans-52.3138.2167.4-24.833.6000111.1P115 I116 A117P113-P115 VanDerWaalsContact C-N 3.33Å; P113-P115 HydrophobicContact CB-CG 4.44Å; P113-P115 WeakPolarHBondContact O-CD 3.46Å; P113-P115 VanDerWaalsContact O-N 3.08Å; P113-I116 HydrophobicContact CG-CD1 4.41Å; P113-I116 PolarHBondContact O-N 3.44Å; P113-A117 PolarHBondContact O-N 3.38Å
114T84.4Confident85.7Confident92 Ų9274 Ų7456%0.56443%0.43SS*.Hα-helixtrans-41.2-46.2-178.1-45.40000115.4L112 I116 A117 Q118L112-T114 PolarHBondContact O-N 2.92Å; T114-I116 VanDerWaalsContact C-N 3.32Å; T114-I116 PolarHBondContact O-N 3.29Å; T114-A117 PolarHBondContact O-N 2.86Å; T114-Q118 HydrophobicContact CG2-CG 4.34Å; T114-Q118 WeakPolarHBondContact O-CB 3.28Å; T114-Q118 VanDerWaalsContact O-CG 3.26Å; T114-Q118 WeakPolarHBondContact O-CG 3.41Å; T114-Q118 PolarHBondContact O-N 3.44Å
115P86.8Confident85.2Confident79 Ų7971.7 Ų71.751%0.51342%0.42SS..Hα-helixtrans-66.8-32.7-178.626.1-35.9000113.2P113 R119P113-P115 VanDerWaalsContact C-N 3.33Å; P113-P115 HydrophobicContact CB-CG 4.44Å; P113-P115 WeakPolarHBondContact O-CD 3.46Å; P113-P115 VanDerWaalsContact O-N 3.08Å; P115-R119 WeakPolarHBondContact O-CG 3.48Å; P115-R119 PolarHBondContact O-N 3.05Å
116I87.2Confident84.6Confident81 Ų8171.8 Ų71.842%0.41542%0.423SS..Hα-helixtrans-76.2-44177.7-58.1176.4000109.1L112 P113 T114 Q118 R119 I120L112-I116 HydrophobicContact CB-CB 4.47Å; L112-I116 HydrophobicContact CD1-CG2 3.94Å; P113-I116 HydrophobicContact CG-CD1 4.41Å; P113-I116 PolarHBondContact O-N 3.44Å; T114-I116 VanDerWaalsContact C-N 3.32Å; T114-I116 PolarHBondContact O-N 3.29Å; I116-Q118 VanDerWaalsContact C-N 3.32Å; I116-Q118 PolarHBondContact O-N 2.91Å; I116-R119 PolarHBondContact O-N 3Å; I116-R119 VanDerWaalsContact O-N 3.11Å; I116-I120 HydrophobicContact CG2-CD1 3.99Å; I116-I120 HydrophobicContact CG2-CG1 4.47Å; I116-I120 WeakPolarHBondContact O-CG1 3.22Å; I116-I120 PolarHBondContact O-N 3.1Å
117A83.4Confident84.3Confident2 Ų272.3 Ų72.32%0.01744%0.437CS..Hα-helixtrans-53.9-49.5174.700000111.5I108 L112 P113 T114 R119 I120 V121I108-A117 VanDerWaalsContact CG2-CA 3.48Å; I108-A117 HydrophobicContact CG2-CB 3.58Å; L112-A117 HydrophobicContact CB-CB 4.42Å; P113-A117 PolarHBondContact O-N 3.38Å; T114-A117 PolarHBondContact O-N 2.86Å; A117-R119 VanDerWaalsContact C-N 3.33Å; A117-R119 PolarHBondContact O-N 3.13Å; A117-I120 PolarHBondContact O-N 2.95Å; A117-V121 WeakPolarHBondContact O-CB 3.44Å; A117-V121 VanDerWaalsContact O-CG2 3.29Å; A117-V121 WeakPolarHBondContact O-CG2 3.36Å; A117-V121 PolarHBondContact O-N 3.49Å
118Q82.6Confident84.1Confident131 Ų13170.2 Ų70.261%0.61242%0.419SS*.Hα-helixtrans-61.7-37177.2-74.5175.4-10.800112.9T114 I116 G122T114-Q118 HydrophobicContact CG2-CG 4.34Å; T114-Q118 WeakPolarHBondContact O-CB 3.28Å; T114-Q118 VanDerWaalsContact O-CG 3.26Å; T114-Q118 WeakPolarHBondContact O-CG 3.41Å; T114-Q118 PolarHBondContact O-N 3.44Å; I116-Q118 VanDerWaalsContact C-N 3.32Å; I116-Q118 PolarHBondContact O-N 2.91Å; Q118-G122 WeakPolarHBondContact O-CA 3.38Å; Q118-G122 PolarHBondContact O-N 2.73Å
119R83.3Confident84.2Confident195 Ų19570.8 Ų70.874%0.73642%0.422SS*.Hα-helixtrans-66.6-43175.4-77.4178.2-178.4-176.31.6112.3P115 I116 A117 G122 A123P115-R119 WeakPolarHBondContact O-CG 3.48Å; P115-R119 PolarHBondContact O-N 3.05Å; I116-R119 PolarHBondContact O-N 3Å; I116-R119 VanDerWaalsContact O-N 3.11Å; A117-R119 VanDerWaalsContact C-N 3.33Å; A117-R119 PolarHBondContact O-N 3.13Å; R119-G122 PolarHBondContact O-N 2.83Å; R119-A123 WeakPolarHBondContact O-CB 3.07Å; R119-A123 PolarHBondContact O-N 3.45Å
120I84.7Confident84.3Confident67 Ų6767.3 Ų67.334%0.34440%0.398SS..Hα-helixtrans-68.8-45.7179.9-63.3170.5000110.5F104 I108 L112 I116 A117 G122 A123 L124F104-I120 HydrophobicContact CE1-CG2 4.39Å; F104-I120 HydrophobicContact CZ-CG2 4.05Å; I108-I120 HydrophobicContact CD1-CB 4.25Å; I108-I120 HydrophobicContact CD1-CG2 3.53Å; L112-I120 HydrophobicContact CD1-CD1 3.34Å; I116-I120 HydrophobicContact CG2-CD1 3.99Å; I116-I120 HydrophobicContact CG2-CG1 4.47Å; I116-I120 WeakPolarHBondContact O-CG1 3.22Å; I116-I120 PolarHBondContact O-N 3.1Å; A117-I120 PolarHBondContact O-N 2.95Å; I120-G122 VanDerWaalsContact C-N 3.31Å; I120-G122 PolarHBondContact O-N 2.95Å; I120-A123 WeakPolarHBondContact O-CB 3.4Å; I120-A123 PolarHBondContact O-N 2.83Å; I120-L124 PolarHBondContact O-N 3.28Å
121V80.5Confident84.4Confident28 Ų2864.8 Ų64.817%0.1737%0.372CS..Hα-helixtrans-61.3-43.2174.5173.30000110.2F104 A105 I108 A117 A123 L124 Y125F104-V121 HydrophobicContact CE1-CG2 4.37Å; A105-V121 HydrophobicContact CB-CG2 4.19Å; I108-V121 HydrophobicContact CG2-CG2 4.46Å; A117-V121 WeakPolarHBondContact O-CB 3.44Å; A117-V121 VanDerWaalsContact O-CG2 3.29Å; A117-V121 WeakPolarHBondContact O-CG2 3.36Å; A117-V121 PolarHBondContact O-N 3.49Å; V121-A123 VanDerWaalsContact C-N 3.31Å; V121-A123 PolarHBondContact O-N 2.63Å; V121-L124 WeakPolarHBondContact O-CB 3.38Å; V121-L124 PolarHBondContact O-N 3.45Å; V121-Y125 HydrophobicContact CG1-CD2 4.37Å; V121-Y125 HydrophobicContact CG1-CE2 3.7Å; V121-Y125 WeakPolarHBondContact O-CD2 3.28Å; V121-Y125 WeakPolarHBondContact O-CE2 3.4Å
122G77.5Confident84.3Confident37 Ų3758 Ų5838%0.38134%0.337SS..Hα-helixtrans-61-36.7175.500000113.4Q118 R119 I120 L124 Y125 G126Q118-G122 WeakPolarHBondContact O-CA 3.38Å; Q118-G122 PolarHBondContact O-N 2.73Å; R119-G122 PolarHBondContact O-N 2.83Å; I120-G122 VanDerWaalsContact C-N 3.31Å; I120-G122 PolarHBondContact O-N 2.95Å; G122-L124 VanDerWaalsContact C-N 3.3Å; G122-L124 PolarHBondContact O-N 3.09Å; G122-Y125 CarbonylContact O-C 3.53Å; G122-Y125 PolarHBondContact O-N 2.89Å; G122-G126 PolarHBondContact O-N 3.43Å; G122-G126 VanDerWaalsContact O-N 3.08Å
123A80.8Confident84.2Confident72 Ų7255.8 Ų55.860%0.59533%0.326SS*.Hα-helixtrans-63.5-33.6177.900000112.8R119 I120 V121 Y125 G126R119-A123 WeakPolarHBondContact O-CB 3.07Å; R119-A123 PolarHBondContact O-N 3.45Å; I120-A123 WeakPolarHBondContact O-CB 3.4Å; I120-A123 PolarHBondContact O-N 2.83Å; V121-A123 VanDerWaalsContact C-N 3.31Å; V121-A123 PolarHBondContact O-N 2.63Å; A123-Y125 PolarHBondContact O-N 2.89Å; A123-G126 PolarHBondContact O-N 2.85Å; A123-G126 VanDerWaalsContact O-N 3.13Å
124L78.1Confident84.2Confident87 Ų8754 Ų5446%0.45531%0.31SS..Hα-helixtrans-59.2-32.5173.3-69.7-178000112.4F104 I120 V121 G122F104-L124 HydrophobicContact CD1-CD1 3.55Å; F104-L124 HydrophobicContact CE1-CD1 3.2Å; F104-L124 HydrophobicContact CE1-CG 3.99Å; F104-L124 HydrophobicContact CZ-CD1 3.91Å; F104-L124 HydrophobicContact CZ-CG 4.41Å; I120-L124 PolarHBondContact O-N 3.28Å; V121-L124 WeakPolarHBondContact O-CB 3.38Å; V121-L124 PolarHBondContact O-N 3.45Å; G122-L124 VanDerWaalsContact C-N 3.3Å; G122-L124 PolarHBondContact O-N 3.09Å
125Y77Confident84.3Confident27 Ų2752.6 Ų52.611%0.10630%0.299CS..Hα-helixtrans-97.1-1.1-178.7-52.7-61.5000112.9T45 L66 F97 V121 G122 A123 A127 S128T45-Y125 HydrophobicContact CG2-CD1 3.8Å; T45-Y125 HydrophobicContact CG2-CG 4.38Å; L66-Y125 HydrophobicContact CB-CD1 3.88Å; L66-Y125 HydrophobicContact CB-CD2 4.3Å; L66-Y125 HydrophobicContact CB-CE1 3.58Å; L66-Y125 HydrophobicContact CB-CE2 4.02Å; L66-Y125 HydrophobicContact CB-CG 4.24Å; L66-Y125 HydrophobicContact CD1-CD1 4.46Å; L66-Y125 HydrophobicContact CD1-CD2 3.77Å; L66-Y125 HydrophobicContact CD1-CE2 4.06Å; L66-Y125 HydrophobicContact CD1-CG 3.99Å; L66-Y125 WeakPolarHBondContact O-CE1 3.16Å; L66-Y125 PolarHBondContact O-OH 3.32Å; F97-Y125 HydrophobicContact CE1-CE1 4.2Å; F97-Y125 HydrophobicContact CZ-CE1 4.2Å; V121-Y125 HydrophobicContact CG1-CD2 4.37Å; V121-Y125 HydrophobicContact CG1-CE2 3.7Å; V121-Y125 WeakPolarHBondContact O-CD2 3.28Å; V121-Y125 WeakPolarHBondContact O-CE2 3.4Å; G122-Y125 CarbonylContact O-C 3.53Å; G122-Y125 PolarHBondContact O-N 2.89Å; A123-Y125 PolarHBondContact O-N 2.89Å; Y125-A127 PolarHBondContact O-N 3.13Å; Y125-A127 VanDerWaalsContact O-N 3.16Å; Y125-S128 WeakPolarHBondContact O-CB 3.42Å; Y125-S128 PolarHBondContact O-N 2.84Å; Y125-S128 PolarHBondContact O-OG 2.87Å
126G74Confident84.2Confident26 Ų2655.6 Ų55.627%0.26830%0.304SS..THydrogen-bonded Turntrans-65.5-15.8-178.900000114.5G122 A123 S128 N164G122-G126 PolarHBondContact O-N 3.43Å; G122-G126 VanDerWaalsContact O-N 3.08Å; A123-G126 PolarHBondContact O-N 2.85Å; A123-G126 VanDerWaalsContact O-N 3.13Å; G126-S128 VanDerWaalsContact C-N 3.33Å; G126-N164 PolarHBondContact O-ND2 3.3Å
127A80Confident83.9Confident81 Ų8153.1 Ų53.167%0.66929%0.292SS*.THydrogen-bonded Turntrans-85.3-1.7173.300000113.7Y125Y125-A127 PolarHBondContact O-N 3.13Å; Y125-A127 VanDerWaalsContact O-N 3.16Å
128S87.2Confident83.4Confident5 Ų560.1 Ų60.14%0.03532%0.324CS..  trans-83.8133.3177.968.10000111.7T43 T45 Y125 G126 G130T43-S128 CarbonylContact O-C 3.59Å; T45-S128 PolarHBondContact OG1-OG 2.87Å; Y125-S128 WeakPolarHBondContact O-CB 3.42Å; Y125-S128 PolarHBondContact O-N 2.84Å; Y125-S128 PolarHBondContact O-OG 2.87Å; G126-S128 VanDerWaalsContact C-N 3.33Å; S128-G130 VanDerWaalsContact C-N 3.31Å
129D89.1Confident82.8Confident32 Ų3263.9 Ų63.917%0.17133%0.333CS..SBendtrans-77.4-19.8174.9-63.8-64.1000111.9I42 T43 K166 F167I42-D129 HydrophobicContact CG2-CB 3.53Å; T43-D129 PolarHBondContact N-OD2 3.01Å; T43-D129 WeakPolarHBondContact O-CB 3.25Å; T43-D129 PolarHBondContact O-N 3.26Å; D129-K166 HydrophobicContact CB-CD 4.21Å; D129-K166 WeakPolarHBondContact O-CA 3.36Å; D129-K166 VanDerWaalsContact O-CB 3.32Å; D129-K166 WeakPolarHBondContact O-CB 3.47Å; D129-K166 PolarHBondContact O-N 2.63Å; D129-K166 VanDerWaalsContact OD1-CE 3.27Å; D129-K166 WeakPolarHBondContact OD1-CE 3.48Å; D129-K166 IonicContact OD1-NZ 2.78Å; D129-K166 PolarHBondContact OD1-NZ 2.94Å; D129-F167 HydrophobicContact CB-CE1 4.29Å; D129-F167 WeakPolarHBondContact O-CD1 3.14Å; D129-F167 PolarHBondContact O-N 3.18Å
130G89.5Confident82.3Confident0 Ų059.8 Ų59.80%033%0.325CS..EExtended strand (participates in β ladder)trans-167.6165.6177.100000115.6S44 T45 S128 F167S44-G130 CarbonylContact C-O 3.47Å; S44-G130 WeakPolarHBondContact CA-O 3.17Å; S44-G130 WeakPolarHBondContact CB-O 3.37Å; T45-G130 PolarHBondContact N-O 3.3Å; T45-G130 PolarHBondContact OG1-O 3.24Å; S128-G130 VanDerWaalsContact C-N 3.31Å; G130-F167 CarbonylContact C-O 3.53Å; G130-F167 WeakPolarHBondContact CA-O 3.16Å
131I89.9Confident81.7Confident34 Ų3459.5 Ų59.517%0.17432%0.324CS..EExtended strand (participates in β ladder)trans-110.4136.3-179.7-64.2166.6000109.3T45 T133 L165 F167 A168 C169T45-I131 CarbonylContact O-C 3.59Å; T45-I131 WeakPolarHBondContact O-CA 3.42Å; T45-I131 WeakPolarHBondContact OG1-CG1 3.42Å; I131-T133 HydrophobicContact CG2-CG2 3.97Å; I131-L165 HydrophobicContact CD1-CD1 3.52Å; I131-L165 HydrophobicContact CD1-CD2 4.08Å; I131-L165 HydrophobicContact CD1-CG 4.46Å; I131-L165 HydrophobicContact CG1-CD1 4.19Å; I131-L165 HydrophobicContact CG1-CD2 3.78Å; I131-F167 PolarHBondContact N-O 3.47Å; I131-F167 VanDerWaalsContact N-O 3.1Å; I131-A168 HydrophobicContact CB-CB 4.39Å; I131-A168 CarbonylContact O-C 3.57Å; I131-A168 VanDerWaalsContact O-CA 3.27Å; I131-A168 WeakPolarHBondContact O-CA 3.35Å; I131-C169 PolarHBondContact O-N 2.89Å
132I92.1Very high81.5Confident0 Ų066.9 Ų66.90%035%0.349CS..EExtended strand (participates in β ladder)trans-121.5130.1175.7-54.3174.3000108.8L20 L23 S44 T45 L46 L47 L71 F134 F167 C169 F171L20-I132 HydrophobicContact CD2-CD1 3.61Å; L20-I132 HydrophobicContact CD2-CG2 4.01Å; L23-I132 HydrophobicContact CD2-CD1 3.91Å; L23-I132 HydrophobicContact CD2-CG1 4.26Å; S44-I132 WeakPolarHBondContact OG-CD1 3.41Å; T45-I132 PolarHBondContact O-N 3.38Å; L46-I132 WeakPolarHBondContact CA-O 3.18Å; L46-I132 HydrophobicContact CD1-CB 4.27Å; L46-I132 HydrophobicContact CD1-CG2 4.16Å; L47-I132 PolarHBondContact N-O 3.38Å; L71-I132 HydrophobicContact CD1-CD1 4.05Å; L71-I132 HydrophobicContact CD2-CD1 3.62Å; L71-I132 HydrophobicContact CG-CD1 4.07Å; I132-F134 HydrophobicContact CG2-CD2 4.44Å; I132-F134 HydrophobicContact CG2-CE2 3.82Å; I132-F134 HydrophobicContact CG2-CZ 4.27Å; I132-F167 HydrophobicContact CG1-CE2 4.46Å; I132-C169 CarbonylContact C-O 3.57Å; I132-C169 VanDerWaalsContact CA-O 3.28Å; I132-C169 WeakPolarHBondContact CA-O 3.5Å; I132-F171 HydrophobicContact CG2-CD2 4Å; I132-F171 HydrophobicContact CG2-CE2 3.8Å
133T90.2Very high81.5Confident17 Ų1770.8 Ų70.810%0.10436%0.361CS..EExtended strand (participates in β ladder)trans-129.2144.1175.970.60000111.2L47 I131 C169 T170 F171L47-T133 HydrophobicContact CB-CG2 3.85Å; L47-T133 HydrophobicContact CD2-CG2 4.06Å; I131-T133 HydrophobicContact CG2-CG2 3.97Å; T133-C169 PolarHBondContact N-O 2.91Å; T133-T170 WeakPolarHBondContact O-CA 3.34Å; T133-T170 WeakPolarHBondContact OG1-CB 3.35Å; T133-T170 WeakPolarHBondContact OG1-CG2 3.43Å; T133-T170 PolarHBondContact OG1-OG1 2.85Å; T133-F171 PolarHBondContact O-N 2.93Å
134F90.3Very high81.5Confident40 Ų4073 Ų7318%0.17537%0.37CS..EExtended strand (participates in β ladder)trans-116122.3173.7-70.5-87.2000109.3Q16 L19 L20 L46 I132 F171Q16-F134 HydrophobicContact CB-CD1 4.31Å; Q16-F134 HydrophobicContact CB-CE1 3.91Å; Q16-F134 HydrophobicContact CB-CE2 4.3Å; Q16-F134 HydrophobicContact CB-CZ 3.91Å; Q16-F134 HydrophobicContact CG-CD1 3.73Å; Q16-F134 HydrophobicContact CG-CD2 4.34Å; Q16-F134 HydrophobicContact CG-CE1 3.85Å; Q16-F134 HydrophobicContact CG-CE2 4.43Å; Q16-F134 HydrophobicContact CG-CG 4Å; Q16-F134 HydrophobicContact CG-CZ 4.2Å; L19-F134 HydrophobicContact CB-CE1 4.12Å; L19-F134 HydrophobicContact CD1-CE1 3.99Å; L20-F134 HydrophobicContact CD1-CZ 4.48Å; L20-F134 HydrophobicContact CD2-CE2 4.24Å; L20-F134 HydrophobicContact CD2-CZ 4.12Å; L20-F134 HydrophobicContact CG-CE2 4.33Å; L20-F134 HydrophobicContact CG-CZ 3.95Å; L46-F134 HydrophobicContact CD1-CD2 3.59Å; L46-F134 HydrophobicContact CD1-CE2 3.54Å; I132-F134 HydrophobicContact CG2-CD2 4.44Å; I132-F134 HydrophobicContact CG2-CE2 3.82Å; I132-F134 HydrophobicContact CG2-CZ 4.27Å; F134-F171 CarbonylContact C-O 3.41Å; F134-F171 WeakPolarHBondContact CA-O 3.37Å; F134-F171 HydrophobicContact CD1-CB 3.5Å; F134-F171 AromaticContact CD1-CD2 3.88Å; F134-F171 HydrophobicContact CD1-CD2 3.88Å; F134-F171 AromaticContact CD1-CG 3.99Å; F134-F171 HydrophobicContact CD1-CG 3.99Å; F134-F171 HydrophobicContact CE1-CB 3.64Å; F134-F171 AromaticContact CE1-CD2 3.3Å; F134-F171 HydrophobicContact CE1-CD2 3.3Å; F134-F171 HydrophobicContact CE1-CE2 4.07Å; F134-F171 AromaticContact CE1-CG 3.59Å; F134-F171 HydrophobicContact CE1-CG 3.59Å; F134-F171 HydrophobicContact CE2-CD2 4.2Å; F134-F171 HydrophobicContact CG-CB 4.38Å; F134-F171 AromaticContact CZ-CD2 3.48Å; F134-F171 HydrophobicContact CZ-CD2 3.48Å; F134-F171 VanDerWaalsContact CZ-CD2 3.48Å; F134-F171 AromaticContact CZ-CE2 3.9Å; F134-F171 HydrophobicContact CZ-CE2 3.9Å; F134-F171 HydrophobicContact CZ-CG 4.24Å
135L86.5Confident81.4Confident63 Ų6378.7 Ų78.733%0.3339%0.391SS..EExtended strand (participates in β ladder)trans-117.8115.8178.9-64.6177.9000109.1V153 T170 F171 T172 V173L135-V153 HydrophobicContact CD1-CB 3.68Å; L135-V153 HydrophobicContact CD1-CG1 3.97Å; L135-V153 HydrophobicContact CD1-CG2 3.44Å; L135-V153 VanDerWaalsContact CD1-CG2 3.44Å; L135-T170 HydrophobicContact CD1-CG2 3.67Å; L135-T170 HydrophobicContact CG-CG2 4.01Å; L135-F171 PolarHBondContact N-O 3.17Å; L135-T172 HydrophobicContact CB-CG2 4.25Å; L135-T172 CarbonylContact O-C 3.56Å; L135-T172 VanDerWaalsContact O-CA 3.3Å; L135-T172 WeakPolarHBondContact O-CA 3.24Å; L135-V173 PolarHBondContact O-N 3.23Å
136K84.8Confident81.5Confident143 Ų14387.2 Ų87.262%0.62242%0.423SS*.EExtended strand (participates in β ladder)trans-106.1113.5175-173.1177.4175.4-167.10110H138K136-H138 WeakPolarHBondContact CD-NE2 3.5Å; K136-H138 WeakPolarHBondContact CE-NE2 3.46Å; K136-H138 PolarHBondContact NZ-NE2 2.78Å; K136-H138 PolarHBondContact O-ND1 2.8Å
137V80.6Confident81.6Confident28 Ų2890.3 Ų90.317%0.1743%0.434CS..EExtended strand (participates in β ladder)trans-93.3105.7179.3-171.70000109.2R139 L141 L151 T172 V173 H174V137-R139 WeakPolarHBondContact CG1-O 3.12Å; V137-L141 HydrophobicContact CG1-CD1 3.68Å; V137-L141 HydrophobicContact CG1-CD2 4.34Å; V137-L141 HydrophobicContact CG1-CG 3.72Å; V137-L151 HydrophobicContact CG2-CD2 3.54Å; V137-T172 HydrophobicContact CG2-CG2 4.09Å; V137-V173 PolarHBondContact N-O 3.36Å; V137-H174 HydrophobicContact CB-CB 4.45Å
138H72.2Confident81.4Confident149 Ų14988.8 Ų88.869%0.6941%0.414SS*.  trans-80-20-173.8-69.583.5000114.2K136K136-H138 WeakPolarHBondContact CD-NE2 3.5Å; K136-H138 WeakPolarHBondContact CE-NE2 3.46Å; K136-H138 PolarHBondContact NZ-NE2 2.78Å; K136-H138 PolarHBondContact O-ND1 2.8Å
139R71.5Confident80.4Confident211 Ų21199.1 Ų99.180%0.79645%0.452SS*.SBendtrans-116.8140.1-177.2-66.5-175.9178174.40.3109.8V137 L141V137-R139 WeakPolarHBondContact CG1-O 3.12Å; R139-L141 PolarHBondContact O-N 2.69Å
140N70.9Confident79.3Confident108 Ų10899.7 Ų99.758%0.57846%0.461SS*.  trans-59103.2167.7-68.6-33.9000108R142 S175N140-R142 PolarHBondContact O-N 3.08Å; N140-S175 PolarHBondContact OD1-OG 3.36Å; N140-S175 VanDerWaalsContact OD1-OG 3.08Å
141L72.3Confident78.5Confident61 Ų61102 Ų10232%0.31947%0.474SS..  trans-69130.1-178.9-66.3173.2000108.1V137 R139 I148 L151V137-L141 HydrophobicContact CG1-CD1 3.68Å; V137-L141 HydrophobicContact CG1-CD2 4.34Å; V137-L141 HydrophobicContact CG1-CG 3.72Å; R139-L141 PolarHBondContact O-N 2.69Å; L141-I148 HydrophobicContact CB-CB 4.03Å; L141-I148 HydrophobicContact CB-CD1 3.56Å; L141-I148 HydrophobicContact CB-CG1 3.94Å; L141-I148 HydrophobicContact CD1-CD1 4.27Å; L141-I148 WeakPolarHBondContact O-CG1 3.26Å; L141-I148 PolarHBondContact O-N 3.13Å; L141-L151 HydrophobicContact CD1-CD2 4.26Å
142R77Confident77.5Confident184 Ų184103 Ų10369%0.69448%0.479SS*.EExtended strand (participates in β ladder)trans-115.3118.3175.5-74.1-178175179.63.8108.7N140 R146 N147N140-R142 PolarHBondContact O-N 3.08Å; R142-R146 CarbonylContact C-O 3.59Å; R142-R146 WeakPolarHBondContact CA-O 3.4Å; R142-N147 WeakPolarHBondContact CG-OD1 3.44Å; R142-N147 PolarHBondContact NE-OD1 3.32Å
143L78Confident76.7Confident119 Ų119105.6 Ų105.662%0.62349%0.494SS*.EExtended strand (participates in β ladder)trans-106.8120.6169.8-169.970.9000107.9K145 R146 I148L143-K145 VanDerWaalsContact C-N 3.34Å; L143-K145 PolarHBondContact O-N 3.15Å; L143-R146 PolarHBondContact N-O 3.31Å; L143-R146 PolarHBondContact O-N 3.13Å; L143-I148 HydrophobicContact CB-CD1 4.11Å; L143-I148 HydrophobicContact CB-CG1 4.06Å
144C79.4Confident75.8Confident118 Ų118107.9 Ų107.980%0.79750%0.503SS*.THydrogen-bonded Turntrans49.948.8178.4-57.30000113.6R146C144-R146 PolarHBondContact O-N 3.36Å; C144-R146 VanDerWaalsContact O-N 3.09Å
145K77.7Confident74.7Confident206 Ų206107.4 Ų107.490%0.89650%0.504SS*.THydrogen-bonded Turntrans64.80.5-176.8-53.6179.1179.2179.10115.9L143L143-K145 VanDerWaalsContact C-N 3.34Å; L143-K145 PolarHBondContact O-N 3.15Å
146R78.3Confident73.7Confident206 Ų206111.1 Ų111.178%0.77752%0.523SS*.EExtended strand (participates in β ladder)trans-96.5133.3172-65.1-176.4176.2175-0.7109.6R142 L143 C144 I148R142-R146 CarbonylContact C-O 3.59Å; R142-R146 WeakPolarHBondContact CA-O 3.4Å; L143-R146 PolarHBondContact N-O 3.31Å; L143-R146 PolarHBondContact O-N 3.13Å; C144-R146 PolarHBondContact O-N 3.36Å; C144-R146 VanDerWaalsContact O-N 3.09Å; R146-I148 PolarHBondContact O-N 3Å
147N77Confident72.4Confident92 Ų92104.7 Ų104.749%0.49250%0.495SS..EExtended strand (participates in β ladder)trans-67.4126.1171.5-65.1-33.3000108.4R142 R149R142-N147 WeakPolarHBondContact CG-OD1 3.44Å; R142-N147 PolarHBondContact NE-OD1 3.32Å; N147-R149 PolarHBondContact O-N 2.96Å
148I75.9Confident71.3Confident48 Ų48110 Ų11025%0.24652%0.523CS..PPolyproline II helixtrans-64.6120.5170.4-59.8-172.8000106.4L141 L143 R146 A150 H174L141-I148 HydrophobicContact CB-CB 4.03Å; L141-I148 HydrophobicContact CB-CD1 3.56Å; L141-I148 HydrophobicContact CB-CG1 3.94Å; L141-I148 HydrophobicContact CD1-CD1 4.27Å; L141-I148 WeakPolarHBondContact O-CG1 3.26Å; L141-I148 PolarHBondContact O-N 3.13Å; L143-I148 HydrophobicContact CB-CD1 4.11Å; L143-I148 HydrophobicContact CB-CG1 4.06Å; R146-I148 PolarHBondContact O-N 3Å; I148-A150 WeakPolarHBondContact CG2-O 3.36Å; I148-H174 PolarHBondContact O-CE1 2.66Å
149R66Low70.2Confident222 Ų222105 Ų10584%0.83850%0.503SS*.  trans-80.4-37.5-179.3-67.8-175.2177-177.8-2.5111.7N147 Y179N147-R149 PolarHBondContact O-N 2.96Å; R149-Y179 PolarHBondContact O-OH 3.11Å
150A66Low69.1Low44 Ų4498.3 Ų98.336%0.36449%0.485SS..  trans-140.8139.4-177.400000110.4I148 Y179I148-A150 WeakPolarHBondContact CG2-O 3.36Å; A150-Y179 HydrophobicContact CB-CD1 4.01Å; A150-Y179 HydrophobicContact CB-CE1 3.38Å; A150-Y179 HydrophobicContact CB-CE2 4.22Å
151L71.4Confident67.9Low50 Ų5099.8 Ų99.826%0.26250%0.501SS..  trans-117122.2170.3-176.273.6000108V137 L141 V153 T172V137-L151 HydrophobicContact CG2-CD2 3.54Å; L141-L151 HydrophobicContact CD1-CD2 4.26Å; L151-V153 HydrophobicContact CG-CG2 4.4Å; L151-T172 HydrophobicContact CB-CG2 4.06Å; L151-T172 HydrophobicContact CD2-CG2 4.07Å; L151-T172 HydrophobicContact CG-CG2 4.29Å; L151-T172 WeakPolarHBondContact O-CB 3.5Å; L151-T172 WeakPolarHBondContact O-CG2 3.39Å
152L69.7Low66.9Low55 Ų55104.8 Ų104.829%0.28852%0.523SS..  trans-122.2126.9178.4-67.9166.5000108.3F154 Y179L152-F154 HydrophobicContact CB-CE2 3.8Å; L152-F154 HydrophobicContact CB-CZ 3.96Å; L152-F154 HydrophobicContact CD1-CZ 4.23Å; L152-Y179 HydrophobicContact CD2-CD1 4.31Å; L152-Y179 HydrophobicContact CD2-CG 4.41Å
153V74.6Confident66.2Low53 Ų5397.8 Ų97.832%0.32150%0.502SS..  trans-118.3105.5-179.6178.70000108.3L135 L151 P155 T170 S181L135-V153 HydrophobicContact CD1-CB 3.68Å; L135-V153 HydrophobicContact CD1-CG1 3.97Å; L135-V153 HydrophobicContact CD1-CG2 3.44Å; L135-V153 VanDerWaalsContact CD1-CG2 3.44Å; L151-V153 HydrophobicContact CG-CG2 4.4Å; V153-P155 WeakPolarHBondContact O-CD 3.42Å; V153-T170 HydrophobicContact CB-CG2 4Å; V153-T170 VanDerWaalsContact O-CB 3.28Å; V153-T170 WeakPolarHBondContact O-CB 3.5Å; V153-T170 PolarHBondContact O-OG1 3.03Å; V153-T170 VanDerWaalsContact O-OG1 3.08Å; V153-S181 PolarHBondContact O-OG 2.95Å
154F71.7Confident66.1Low65 Ų6596.9 Ų96.929%0.28550%0.498SS..  trans-89.2100.2175.3-57.2-79.1000108.6L152 I156 C379 N381L152-F154 HydrophobicContact CB-CE2 3.8Å; L152-F154 HydrophobicContact CB-CZ 3.96Å; L152-F154 HydrophobicContact CD1-CZ 4.23Å; F154-I156 PolarHBondContact O-N 3.38Å; F154-I156 VanDerWaalsContact O-N 3.1Å; F154-C379 HydrophobicContact CD1-CB 3.56Å; F154-C379 HydrophobicContact CE1-CB 3.58Å; F154-C379 HydrophobicContact CG-CB 4.42Å; F154-C379 HydrophobicContact CZ-CB 4.45Å; F154-N381 VanDerWaalsContact CE1-OD1 3.26Å; F154-N381 WeakPolarHBondContact CE1-OD1 3.26Å; F154-N381 WeakPolarHBondContact CZ-OD1 3.48Å
155P66.5Low66.2Low30 Ų3092.8 Ų92.820%0.19547%0.468CS..  trans-58.9120.3163.225.1-33.3000106V153 P157 A168 T170 S183V153-P155 WeakPolarHBondContact O-CD 3.42Å; P155-P157 WeakPolarHBondContact O-CD 3.49Å; P155-A168 HydrophobicContact CB-CB 3.94Å; P155-A168 HydrophobicContact CG-CB 3.43Å; P155-A168 VanDerWaalsContact CG-CB 3.43Å; P155-T170 WeakPolarHBondContact CD-OG1 3.27Å; P155-T170 WeakPolarHBondContact CG-OG1 3.3Å; P155-S183 PolarHBondContact O-OG 2.91Å
156I65.4Low66.6Low142 Ų14286.3 Ų86.373%0.72844%0.44SS*.  trans-95.2101.5164.9-58172.4000103F154 D158F154-I156 PolarHBondContact O-N 3.38Å; F154-I156 VanDerWaalsContact O-N 3.1Å; I156-D158 PolarHBondContact O-N 3.5Å
157P58.3Low67.1Low7 Ų776.6 Ų76.65%0.04540%0.403CS..  trans-50.3129.3166.5-20.922.5000108.1P155 V159 L165 A168 M376P155-P157 WeakPolarHBondContact O-CD 3.49Å; P157-V159 VanDerWaalsContact C-N 3.34Å; P157-V159 WeakPolarHBondContact O-CG2 3.3Å; P157-V159 PolarHBondContact O-N 3.25Å; P157-L165 HydrophobicContact CB-CB 4.24Å; P157-L165 HydrophobicContact CB-CD1 3.86Å; P157-L165 HydrophobicContact CG-CB 4.46Å; P157-L165 HydrophobicContact CG-CD1 4.48Å; P157-A168 HydrophobicContact CG-CB 4.07Å; P157-M376 HydrophobicContact CB-CE 3.46Å; P157-M376 VanDerWaalsContact CB-CE 3.46Å; P157-M376 HydrophobicContact CG-CE 3.27Å; P157-M376 HydrophobicContact CG-SD 3.73Å
158D56.5Low67.7Low139 Ų13972.2 Ų72.274%0.74338%0.38SS*.  trans-63.5105.3170-136.7-8.4000106I156 T160 S163I156-D158 PolarHBondContact O-N 3.5Å; D158-T160 PolarHBondContact O-N 2.88Å; D158-S163 PolarHBondContact O-OG 3.23Å; D158-S163 VanDerWaalsContact O-OG 3.07Å
159V50.7Low68.5Low46 Ų4669.9 Ų69.928%0.27937%0.368SS..  trans-77.164.6-177.9-168.20000107.2P157 T374 M376P157-V159 VanDerWaalsContact C-N 3.34Å; P157-V159 WeakPolarHBondContact O-CG2 3.3Å; P157-V159 PolarHBondContact O-N 3.25Å; V159-T374 HydrophobicContact CB-CG2 3.78Å; V159-T374 HydrophobicContact CG1-CG2 4.18Å; V159-M376 HydrophobicContact CG2-CE 3.29Å
160T47.2Very low69.7Low69 Ų6959.3 Ų59.342%0.42333%0.328SS..  trans-66.4143.9156.959.30000106.6D158 Q162 S163D158-T160 PolarHBondContact O-N 2.88Å; T160-Q162 PolarHBondContact O-N 3.24Å; T160-S163 PolarHBondContact O-N 3.08Å; T160-S163 PolarHBondContact O-OG 2.83Å
161P45.2Very low70.9Confident139 Ų13957.2 Ų57.290%0.90331%0.311SS*.THydrogen-bonded Turntrans-59.1-3.8178.722.6-33.1000114
162Q52.4Low71.7Confident166 Ų16654.9 Ų54.978%0.77630%0.298SS*.THydrogen-bonded Turntrans-99.5-9.3177.1-63.7179.9-12.700113.3T160 N164T160-Q162 PolarHBondContact O-N 3.24Å; Q162-N164 PolarHBondContact O-N 2.98Å
163S62.9Low72.5Confident37 Ų3753.6 Ų53.626%0.25929%0.292SS..  trans-82.9111179.969.40000110.7D158 T160 L165D158-S163 PolarHBondContact O-OG 3.23Å; D158-S163 VanDerWaalsContact O-OG 3.07Å; T160-S163 PolarHBondContact O-N 3.08Å; T160-S163 PolarHBondContact O-OG 2.83Å; S163-L165 PolarHBondContact O-N 3.38Å; S163-L165 VanDerWaalsContact O-N 3.1Å
164N75.8Confident72.9Confident101 Ų10151.3 Ų51.354%0.5428%0.278SS..  trans-76.415.9175.1-64.8-39.9000113G126 Q162 K166G126-N164 PolarHBondContact O-ND2 3.3Å; Q162-N164 PolarHBondContact O-N 2.98Å; N164-K166 WeakPolarHBondContact O-CG 3.46Å; N164-K166 PolarHBondContact O-N 3.27Å; N164-K166 VanDerWaalsContact O-N 3.17Å
165L80.5Confident73.2Confident31 Ų3150.8 Ų50.816%0.16228%0.283CS..  trans-73.2109.9-176.6-69.3171.9000109.9I131 P157 S163I131-L165 HydrophobicContact CD1-CD1 3.52Å; I131-L165 HydrophobicContact CD1-CD2 4.08Å; I131-L165 HydrophobicContact CD1-CG 4.46Å; I131-L165 HydrophobicContact CG1-CD1 4.19Å; I131-L165 HydrophobicContact CG1-CD2 3.78Å; P157-L165 HydrophobicContact CB-CB 4.24Å; P157-L165 HydrophobicContact CB-CD1 3.86Å; P157-L165 HydrophobicContact CG-CB 4.46Å; P157-L165 HydrophobicContact CG-CD1 4.48Å; S163-L165 PolarHBondContact O-N 3.38Å; S163-L165 VanDerWaalsContact O-N 3.1Å
166K87.1Confident73.8Confident70 Ų7057.7 Ų57.730%0.30431%0.305SS..  trans-84.9-32.5179.5-53.2179.7178.3154.40111.4D129 N164 S185 H188 F189D129-K166 HydrophobicContact CB-CD 4.21Å; D129-K166 WeakPolarHBondContact O-CA 3.36Å; D129-K166 VanDerWaalsContact O-CB 3.32Å; D129-K166 WeakPolarHBondContact O-CB 3.47Å; D129-K166 PolarHBondContact O-N 2.63Å; D129-K166 VanDerWaalsContact OD1-CE 3.27Å; D129-K166 WeakPolarHBondContact OD1-CE 3.48Å; D129-K166 IonicContact OD1-NZ 2.78Å; D129-K166 PolarHBondContact OD1-NZ 2.94Å; N164-K166 WeakPolarHBondContact O-CG 3.46Å; N164-K166 PolarHBondContact O-N 3.27Å; N164-K166 VanDerWaalsContact O-N 3.17Å; K166-S185 WeakPolarHBondContact O-CB 3.48Å; K166-S185 PolarHBondContact O-N 3.48Å; K166-H188 HydrophobicContact CB-CB 4.24Å; K166-H188 HydrophobicContact CG-CB 4.48Å; K166-F189 HydrophobicContact CB-CE2 4.21Å
167F89.1Confident74.6Confident2 Ų252.6 Ų52.61%0.00928%0.28CS..EExtended strand (participates in β ladder)trans-148.8161.9178.371.8-78.7000113.3L23 L27 I42 L71 D129 G130 I131 I132 L182 S183 V184 F189L23-F167 HydrophobicContact CD2-CE2 4.37Å; L27-F167 HydrophobicContact CD1-CE1 4.44Å; L27-F167 HydrophobicContact CD1-CE2 4.35Å; L27-F167 HydrophobicContact CD1-CZ 4.13Å; I42-F167 HydrophobicContact CG2-CE1 3.73Å; I42-F167 HydrophobicContact CG2-CZ 4.19Å; L71-F167 HydrophobicContact CD1-CE2 4.28Å; L71-F167 HydrophobicContact CD1-CZ 3.8Å; D129-F167 HydrophobicContact CB-CE1 4.29Å; D129-F167 WeakPolarHBondContact O-CD1 3.14Å; D129-F167 PolarHBondContact O-N 3.18Å; G130-F167 CarbonylContact C-O 3.53Å; G130-F167 WeakPolarHBondContact CA-O 3.16Å; I131-F167 PolarHBondContact N-O 3.47Å; I131-F167 VanDerWaalsContact N-O 3.1Å; I132-F167 HydrophobicContact CG1-CE2 4.46Å; F167-L182 HydrophobicContact CB-CD1 4.49Å; F167-L182 HydrophobicContact CD2-CD1 4.13Å; F167-S183 CarbonylContact C-O 3.6Å; F167-S183 VanDerWaalsContact CA-O 3.27Å; F167-S183 WeakPolarHBondContact CA-O 3.17Å; F167-V184 HydrophobicContact CB-CG1 3.78Å; F167-F189 HydrophobicContact CB-CE2 4.22Å; F167-F189 HydrophobicContact CB-CZ 4.47Å
168A89.5Confident76Confident0 Ų052.3 Ų52.30%028%0.278CS..EExtended strand (participates in β ladder)trans-141.8127.6169.900000109.6I131 P155 P157 S183I131-A168 HydrophobicContact CB-CB 4.39Å; I131-A168 CarbonylContact O-C 3.57Å; I131-A168 VanDerWaalsContact O-CA 3.27Å; I131-A168 WeakPolarHBondContact O-CA 3.35Å; P155-A168 HydrophobicContact CB-CB 3.94Å; P155-A168 HydrophobicContact CG-CB 3.43Å; P155-A168 VanDerWaalsContact CG-CB 3.43Å; P157-A168 HydrophobicContact CG-CB 4.07Å; A168-S183 PolarHBondContact N-O 3.21Å; A168-S183 PolarHBondContact O-N 2.8Å
169C91.6Very high77.5Confident0 Ų046.2 Ų46.20%024%0.244CC..EExtended strand (participates in β ladder)trans-121.4131-174.9-172.20000110.1L23 I131 I132 T133 F171 S181 L182L23-C169 HydrophobicContact CD2-CB 3.97Å; I131-C169 PolarHBondContact O-N 2.89Å; I132-C169 CarbonylContact C-O 3.57Å; I132-C169 VanDerWaalsContact CA-O 3.28Å; I132-C169 WeakPolarHBondContact CA-O 3.5Å; T133-C169 PolarHBondContact N-O 2.91Å; C169-F171 VanDerWaalsContact SG-CZ 3.58Å; C169-S181 WeakPolarHBondContact CA-O 3.38Å; C169-L182 HydrophobicContact CB-CD1 3.77Å
170T91.2Very high79.3Confident0 Ų044.3 Ų44.30%023%0.232CC..EExtended strand (participates in β ladder)trans-123.4123.9173.7-53.60000110T133 L135 V153 P155 S181T133-T170 WeakPolarHBondContact O-CA 3.34Å; T133-T170 WeakPolarHBondContact OG1-CB 3.35Å; T133-T170 WeakPolarHBondContact OG1-CG2 3.43Å; T133-T170 PolarHBondContact OG1-OG1 2.85Å; L135-T170 HydrophobicContact CD1-CG2 3.67Å; L135-T170 HydrophobicContact CG-CG2 4.01Å; V153-T170 HydrophobicContact CB-CG2 4Å; V153-T170 VanDerWaalsContact O-CB 3.28Å; V153-T170 WeakPolarHBondContact O-CB 3.5Å; V153-T170 PolarHBondContact O-OG1 3.03Å; V153-T170 VanDerWaalsContact O-OG1 3.08Å; P155-T170 WeakPolarHBondContact CD-OG1 3.27Å; P155-T170 WeakPolarHBondContact CG-OG1 3.3Å; T170-S181 WeakPolarHBondContact CB-OG 3.33Å; T170-S181 PolarHBondContact N-O 3.32Å; T170-S181 PolarHBondContact O-N 2.85Å; T170-S181 PolarHBondContact O-OG 2.78Å
171F91.4Very high81.3Confident0 Ų041 Ų410%021%0.212CC..EExtended strand (participates in β ladder)trans-96.6113.5171.7-62.7-77.5000108.7L19 L23 I132 T133 F134 L135 C169 I180 M199L19-F171 HydrophobicContact CB-CD1 3.86Å; L19-F171 HydrophobicContact CB-CE1 3.71Å; L19-F171 HydrophobicContact CB-CE2 4.38Å; L19-F171 HydrophobicContact CB-CG 4.27Å; L19-F171 HydrophobicContact CB-CZ 3.97Å; L19-F171 HydrophobicContact CD1-CB 4.07Å; L19-F171 HydrophobicContact CD1-CD1 3.76Å; L19-F171 HydrophobicContact CD1-CE1 4.44Å; L19-F171 HydrophobicContact CD1-CG 4Å; L19-F171 HydrophobicContact CD2-CD1 3.99Å; L19-F171 HydrophobicContact CD2-CE1 4.05Å; L19-F171 HydrophobicContact CG-CD1 4.08Å; L19-F171 HydrophobicContact CG-CE1 4.27Å; L23-F171 HydrophobicContact CB-CZ 4.09Å; L23-F171 HydrophobicContact CD2-CE2 4.27Å; L23-F171 HydrophobicContact CD2-CZ 4.16Å; I132-F171 HydrophobicContact CG2-CD2 4Å; I132-F171 HydrophobicContact CG2-CE2 3.8Å; T133-F171 PolarHBondContact O-N 2.93Å; F134-F171 CarbonylContact C-O 3.41Å; F134-F171 WeakPolarHBondContact CA-O 3.37Å; F134-F171 HydrophobicContact CD1-CB 3.5Å; F134-F171 AromaticContact CD1-CD2 3.88Å; F134-F171 HydrophobicContact CD1-CD2 3.88Å; F134-F171 AromaticContact CD1-CG 3.99Å; F134-F171 HydrophobicContact CD1-CG 3.99Å; F134-F171 HydrophobicContact CE1-CB 3.64Å; F134-F171 AromaticContact CE1-CD2 3.3Å; F134-F171 HydrophobicContact CE1-CD2 3.3Å; F134-F171 HydrophobicContact CE1-CE2 4.07Å; F134-F171 AromaticContact CE1-CG 3.59Å; F134-F171 HydrophobicContact CE1-CG 3.59Å; F134-F171 HydrophobicContact CE2-CD2 4.2Å; F134-F171 HydrophobicContact CG-CB 4.38Å; F134-F171 AromaticContact CZ-CD2 3.48Å; F134-F171 HydrophobicContact CZ-CD2 3.48Å; F134-F171 VanDerWaalsContact CZ-CD2 3.48Å; F134-F171 AromaticContact CZ-CE2 3.9Å; F134-F171 HydrophobicContact CZ-CE2 3.9Å; F134-F171 HydrophobicContact CZ-CG 4.24Å; L135-F171 PolarHBondContact N-O 3.17Å; C169-F171 VanDerWaalsContact SG-CZ 3.58Å; F171-I180 HydrophobicContact CD1-CB 4.44Å; F171-I180 HydrophobicContact CD1-CG1 3.7Å; F171-I180 HydrophobicContact CD1-CG2 4.25Å; F171-I180 HydrophobicContact CE1-CB 4.47Å; F171-I180 HydrophobicContact CE1-CD1 4.35Å; F171-I180 HydrophobicContact CE1-CG1 3.79Å; F171-I180 HydrophobicContact CE1-CG2 3.94Å; F171-M199 HydrophobicContact CE1-CE 4.29Å
172T88.6Confident83.4Confident0 Ų035 Ų350%017%0.172CC..EExtended strand (participates in β ladder)trans-109.3113.5177.7-52.70000109.7L135 V137 L151 Y179L135-T172 HydrophobicContact CB-CG2 4.25Å; L135-T172 CarbonylContact O-C 3.56Å; L135-T172 VanDerWaalsContact O-CA 3.3Å; L135-T172 WeakPolarHBondContact O-CA 3.24Å; V137-T172 HydrophobicContact CG2-CG2 4.09Å; L151-T172 HydrophobicContact CB-CG2 4.06Å; L151-T172 HydrophobicContact CD2-CG2 4.07Å; L151-T172 HydrophobicContact CG-CG2 4.29Å; L151-T172 WeakPolarHBondContact O-CB 3.5Å; L151-T172 WeakPolarHBondContact O-CG2 3.39Å; T172-Y179 PolarHBondContact N-O 3.21Å; T172-Y179 PolarHBondContact O-N 2.92Å
173V86.1Confident85Confident28 Ų2827.2 Ų27.217%0.1714%0.137CC..EExtended strand (participates in β ladder)trans-92.8113.7172.7-175.30000107.9M1 L135 V137 V178M1-V173 HydrophobicContact CE-CG1 3.96Å; L135-V173 PolarHBondContact O-N 3.23Å; V137-V173 PolarHBondContact N-O 3.36Å; V173-V178 HydrophobicContact CG2-CG2 4.32Å
174H82.5Confident86.2Confident5 Ų525.5 Ų25.52%0.02313%0.125CC..EExtended strand (participates in β ladder)trans-130.7121.3179.7178.7-93.4000110.1V137 I148 W176 D177 Y179V137-H174 HydrophobicContact CB-CB 4.45Å; I148-H174 PolarHBondContact O-CE1 2.66Å; H174-W176 PolarHBondContact O-N 3.16Å; H174-D177 PolarHBondContact N-O 3.3Å; H174-D177 VanDerWaalsContact N-O 3.09Å; H174-D177 PolarHBondContact O-N 2.99Å; H174-D177 VanDerWaalsContact O-N 3.08Å; H174-Y179 HydrophobicContact CB-CD2 4.28Å; H174-Y179 HydrophobicContact CB-CE2 4.12Å
175S78.5Confident86.5Confident55 Ų5521.3 Ų21.339%0.38510%0.103SC..THydrogen-bonded Turntrans56.1-95.2-175.7-52.40000112.6N140N140-S175 PolarHBondContact OD1-OG 3.36Å; N140-S175 VanDerWaalsContact OD1-OG 3.08Å
176W79.5Confident86.6Confident175 Ų17522.2 Ų22.266%0.66311%0.11SC*.THydrogen-bonded Turntrans-127.410.4-175.3-60.498.3000113M1 H174M1-W176 HydrophobicContact CB-CE3 4.45Å; M1-W176 WeakPolarHBondContact CB-O 3.39Å; M1-W176 WeakPolarHBondContact CG-O 3.44Å; H174-W176 PolarHBondContact O-N 3.16Å
177D83Confident86.3Confident35 Ų3525.3 Ų25.319%0.18713%0.127CC..EExtended strand (participates in β ladder)trans-122.3148.9-176.8-58.4-29.7000110.2H174 Y179 Q383 L385H174-D177 PolarHBondContact N-O 3.3Å; H174-D177 VanDerWaalsContact N-O 3.09Å; H174-D177 PolarHBondContact O-N 2.99Å; H174-D177 VanDerWaalsContact O-N 3.08Å; D177-Y179 HydrophobicContact CB-CD2 4.23Å; D177-Y179 HydrophobicContact CB-CE2 3.51Å; D177-Y179 PolarHBondContact OD2-OH 2.85Å; D177-Q383 PolarHBondContact OD2-NE2 3.09Å; D177-L385 VanDerWaalsContact OD1-CD2 3.29Å; D177-L385 WeakPolarHBondContact OD1-CD2 3.45Å
178V86.1Confident86Confident1 Ų129.3 Ų29.31%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-108.1115.9169.1-174.70000108.4M1 L19 V173 I384M1-V178 HydrophobicContact CE-CG2 4.13Å; M1-V178 HydrophobicContact CG-CG2 4.47Å; M1-V178 HydrophobicContact SD-CG2 3.55Å; M1-V178 VanDerWaalsContact SD-CG2 3.55Å; L19-V178 HydrophobicContact CD1-CG1 3.84Å; L19-V178 HydrophobicContact CD2-CG1 3.96Å; V173-V178 HydrophobicContact CG2-CG2 4.32Å; V178-I384 PolarHBondContact N-O 2.94Å; V178-I384 PolarHBondContact O-N 2.85Å
179Y87.9Confident85.8Confident11 Ų1129.5 Ų29.54%0.04315%0.146CC..EExtended strand (participates in β ladder)trans-97.9129.2174.8-62.1-85.3000109.5R149 A150 L152 T172 H174 D177 Q383R149-Y179 PolarHBondContact O-OH 3.11Å; A150-Y179 HydrophobicContact CB-CD1 4.01Å; A150-Y179 HydrophobicContact CB-CE1 3.38Å; A150-Y179 HydrophobicContact CB-CE2 4.22Å; L152-Y179 HydrophobicContact CD2-CD1 4.31Å; L152-Y179 HydrophobicContact CD2-CG 4.41Å; T172-Y179 PolarHBondContact N-O 3.21Å; T172-Y179 PolarHBondContact O-N 2.92Å; H174-Y179 HydrophobicContact CB-CD2 4.28Å; H174-Y179 HydrophobicContact CB-CE2 4.12Å; D177-Y179 HydrophobicContact CB-CD2 4.23Å; D177-Y179 HydrophobicContact CB-CE2 3.51Å; D177-Y179 PolarHBondContact OD2-OH 2.85Å; Y179-Q383 HydrophobicContact CD1-CB 4.28Å; Y179-Q383 HydrophobicContact CD1-CG 4.07Å; Y179-Q383 HydrophobicContact CE1-CB 4.33Å; Y179-Q383 VanDerWaalsContact CE1-CD 3.47Å; Y179-Q383 HydrophobicContact CE1-CG 3.75Å; Y179-Q383 PolarHBondContact OH-NE2 3.32Å
180I89.8Confident85.5Confident5 Ų536.4 Ų36.43%0.02618%0.178CC..EExtended strand (participates in β ladder)trans-112.6121.6175.9-55.1153000107.4F171 M199 N381 V382 I384F171-I180 HydrophobicContact CD1-CB 4.44Å; F171-I180 HydrophobicContact CD1-CG1 3.7Å; F171-I180 HydrophobicContact CD1-CG2 4.25Å; F171-I180 HydrophobicContact CE1-CB 4.47Å; F171-I180 HydrophobicContact CE1-CD1 4.35Å; F171-I180 HydrophobicContact CE1-CG1 3.79Å; F171-I180 HydrophobicContact CE1-CG2 3.94Å; I180-M199 HydrophobicContact CD1-CE 3.35Å; I180-M199 HydrophobicContact CD1-CG 4.04Å; I180-M199 HydrophobicContact CD1-SD 4.49Å; I180-M199 HydrophobicContact CG1-CE 4.38Å; I180-N381 WeakPolarHBondContact O-CA 3.35Å; I180-V382 HydrophobicContact CB-CB 4.26Å; I180-V382 HydrophobicContact CD1-CB 4.18Å; I180-V382 HydrophobicContact CD1-CG1 4.23Å; I180-V382 PolarHBondContact N-O 3.46Å; I180-V382 PolarHBondContact O-N 3.38Å; I180-I384 HydrophobicContact CD1-CD1 3.41Å; I180-I384 VanDerWaalsContact CD1-CD1 3.41Å; I180-I384 HydrophobicContact CD1-CG1 3.86Å
181S88.7Confident85.3Confident0 Ų042 Ų420%020%0.202CC..EExtended strand (participates in β ladder)trans-113.3117170.751.10000109.4V153 C169 T170V153-S181 PolarHBondContact O-OG 2.95Å; C169-S181 WeakPolarHBondContact CA-O 3.38Å; T170-S181 WeakPolarHBondContact CB-OG 3.33Å; T170-S181 PolarHBondContact N-O 3.32Å; T170-S181 PolarHBondContact O-N 2.85Å; T170-S181 PolarHBondContact O-OG 2.78Å
182L89.4Confident85Confident12 Ų1242 Ų426%0.06320%0.203CC..EExtended strand (participates in β ladder)trans-114.3117.8-179.1-17564.2000109.2L23 F167 C169 V184 L195 F380L23-L182 HydrophobicContact CD1-CD1 4.4Å; F167-L182 HydrophobicContact CB-CD1 4.49Å; F167-L182 HydrophobicContact CD2-CD1 4.13Å; C169-L182 HydrophobicContact CB-CD1 3.77Å; L182-V184 HydrophobicContact CD1-CG1 4.3Å; L182-V184 HydrophobicContact CD2-CG1 4.29Å; L182-V184 HydrophobicContact CG-CG1 3.96Å; L182-L195 HydrophobicContact CD2-CB 3.92Å; L182-L195 HydrophobicContact CD2-CD1 3.78Å; L182-L195 HydrophobicContact CD2-CG 4.34Å; L182-F380 PolarHBondContact N-O 3.26Å; L182-F380 PolarHBondContact O-N 2.92Å
183S86.9Confident84.9Confident4 Ų445.3 Ų45.33%0.02822%0.22CC..EExtended strand (participates in β ladder)trans-103.9128.3172-640000108.2P155 F167 A168P155-S183 PolarHBondContact O-OG 2.91Å; F167-S183 CarbonylContact C-O 3.6Å; F167-S183 VanDerWaalsContact CA-O 3.27Å; F167-S183 WeakPolarHBondContact CA-O 3.17Å; A168-S183 PolarHBondContact N-O 3.21Å; A168-S183 PolarHBondContact O-N 2.8Å
184V86.9Confident85.1Confident1 Ų145.8 Ų45.81%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-131.5146.6-178.8-68.50000111.8F167 L182 V186 F189 P192 L195 F380F167-V184 HydrophobicContact CB-CG1 3.78Å; L182-V184 HydrophobicContact CD1-CG1 4.3Å; L182-V184 HydrophobicContact CD2-CG1 4.29Å; L182-V184 HydrophobicContact CG-CG1 3.96Å; V184-V186 PolarHBondContact O-N 3.39Å; V184-F189 HydrophobicContact CB-CB 4.18Å; V184-F189 HydrophobicContact CB-CD2 3.63Å; V184-F189 HydrophobicContact CB-CE2 4.15Å; V184-F189 HydrophobicContact CB-CG 3.94Å; V184-F189 HydrophobicContact CG1-CD1 4.46Å; V184-F189 HydrophobicContact CG1-CD2 3.92Å; V184-F189 HydrophobicContact CG1-CE2 4.02Å; V184-F189 HydrophobicContact CG1-CG 4.15Å; V184-F189 HydrophobicContact CG1-CZ 4.34Å; V184-F189 HydrophobicContact CG2-CB 4.08Å; V184-F189 HydrophobicContact CG2-CD2 4.45Å; V184-F189 HydrophobicContact CG2-CG 4.31Å; V184-P192 HydrophobicContact CG2-CB 3.31Å; V184-P192 HydrophobicContact CG2-CG 4.27Å; V184-L195 HydrophobicContact CG1-CD1 3.78Å; V184-L195 HydrophobicContact CG2-CD1 4.25Å; V184-F380 HydrophobicContact CG2-CD2 4.49Å; V184-F380 HydrophobicContact CG2-CE2 4.28Å
185S83Confident85.5Confident13 Ų1345.7 Ų45.79%0.09122%0.221CC..  trans-69.9123171.4178.40000109.9K166 M187 H188 F189K166-S185 WeakPolarHBondContact O-CB 3.48Å; K166-S185 PolarHBondContact O-N 3.48Å; S185-M187 PolarHBondContact O-N 3.09Å; S185-M187 PolarHBondContact OG-N 2.93Å; S185-H188 PolarHBondContact O-N 2.83Å; S185-H188 VanDerWaalsContact O-N 3.07Å; S185-H188 PolarHBondContact OG-ND1 3.11Å; S185-F189 PolarHBondContact O-N 2.59Å
186V81.6Confident86Confident49 Ų4943.3 Ų43.330%0.29721%0.205SC..THydrogen-bonded Turntrans-63-24.6178.9-177.50000111.2V184 H188 E377 Q378V184-V186 PolarHBondContact O-N 3.39Å; V186-H188 VanDerWaalsContact C-N 3.31Å; V186-H188 PolarHBondContact O-N 3.47Å; V186-E377 HydrophobicContact CG2-CB 4.35Å; V186-Q378 HydrophobicContact CG2-CG 4.17Å
187M81.5Confident86.6Confident135 Ų13538.2 Ų38.267%0.66519%0.191SC*.THydrogen-bonded Turntrans-68.7-29176.9-61.9-60.1-179.900113.1S185 A375S185-M187 PolarHBondContact O-N 3.09Å; S185-M187 PolarHBondContact OG-N 2.93Å; M187-A375 HydrophobicContact CE-CB 3.91Å; M187-A375 HydrophobicContact CG-CB 4.29Å
188H82.3Confident87.1Confident87 Ų8738 Ų3840%0.40319%0.187SC..THydrogen-bonded Turntrans-101.9-27.2-178.4-62.592.1000112K166 S185 V186K166-H188 HydrophobicContact CB-CB 4.24Å; K166-H188 HydrophobicContact CG-CB 4.48Å; S185-H188 PolarHBondContact O-N 2.83Å; S185-H188 VanDerWaalsContact O-N 3.07Å; S185-H188 PolarHBondContact OG-ND1 3.11Å; V186-H188 VanDerWaalsContact C-N 3.31Å; V186-H188 PolarHBondContact O-N 3.47Å
189F85.6Confident87.4Confident4 Ų438.1 Ų38.12%0.01819%0.188CC..  trans-119.492.5-177.9-63.4-94.7000110.8L27 Y30 K166 F167 V184 S185 K191 P192 L195L27-F189 HydrophobicContact CD2-CE1 3.87Å; L27-F189 HydrophobicContact CD2-CZ 4.06Å; Y30-F189 AromaticContact CD1-CD1 3.75Å; Y30-F189 HydrophobicContact CD1-CD1 3.75Å; Y30-F189 AromaticContact CD1-CE1 3.86Å; Y30-F189 HydrophobicContact CD1-CE1 3.86Å; Y30-F189 AromaticContact CE1-CD1 3.37Å; Y30-F189 HydrophobicContact CE1-CD1 3.37Å; Y30-F189 AromaticContact CE1-CE1 3.89Å; Y30-F189 HydrophobicContact CE1-CE1 3.89Å; Y30-F189 HydrophobicContact CE1-CG 4.26Å; Y30-F189 HydrophobicContact CE2-CD1 4.23Å; Y30-F189 HydrophobicContact CG-CD1 4.35Å; Y30-F189 AromaticContact CZ-CD1 3.65Å; Y30-F189 VanDerWaalsContact OH-CA 3.23Å; Y30-F189 WeakPolarHBondContact OH-CA 3.24Å; K166-F189 HydrophobicContact CB-CE2 4.21Å; F167-F189 HydrophobicContact CB-CE2 4.22Å; F167-F189 HydrophobicContact CB-CZ 4.47Å; V184-F189 HydrophobicContact CB-CB 4.18Å; V184-F189 HydrophobicContact CB-CD2 3.63Å; V184-F189 HydrophobicContact CB-CE2 4.15Å; V184-F189 HydrophobicContact CB-CG 3.94Å; V184-F189 HydrophobicContact CG1-CD1 4.46Å; V184-F189 HydrophobicContact CG1-CD2 3.92Å; V184-F189 HydrophobicContact CG1-CE2 4.02Å; V184-F189 HydrophobicContact CG1-CG 4.15Å; V184-F189 HydrophobicContact CG1-CZ 4.34Å; V184-F189 HydrophobicContact CG2-CB 4.08Å; V184-F189 HydrophobicContact CG2-CD2 4.45Å; V184-F189 HydrophobicContact CG2-CG 4.31Å; S185-F189 PolarHBondContact O-N 2.59Å; F189-K191 VanDerWaalsContact C-N 3.33Å; F189-K191 PolarHBondContact O-N 2.69Å; F189-P192 HydrophobicContact CB-CB 4.07Å; F189-P192 WeakPolarHBondContact O-CD 3.44Å; F189-L195 HydrophobicContact CD1-CD1 3.79Å; F189-L195 HydrophobicContact CD1-CD2 4.39Å; F189-L195 HydrophobicContact CE1-CD1 4.17Å; F189-L195 HydrophobicContact CE1-CD2 4.32Å; F189-L195 HydrophobicContact CG-CD1 4.42Å
190H84.3Confident87.6Confident145 Ų14539.9 Ų39.967%0.67120%0.197SC*.SBendtrans-63-33.8179.8-62.695.1000113.8Y30Y30-H190 PolarHBondContact OH-N 3.24Å
191K88.3Confident87.7Confident116 Ų11643.6 Ų43.650%0.50421%0.214SC..  trans-128.466.3-178.6-65.7-174.4-174.2172.20111.1Y30 F189 N193 L194Y30-K191 PolarHBondContact OH-N 2.83Å; F189-K191 VanDerWaalsContact C-N 3.33Å; F189-K191 PolarHBondContact O-N 2.69Å; K191-N193 PolarHBondContact O-N 3.25Å; K191-N193 VanDerWaalsContact O-N 3.15Å; K191-L194 HydrophobicContact CB-CD1 3.68Å; K191-L194 HydrophobicContact CB-CG 4.04Å; K191-L194 HydrophobicContact CD-CD1 3.66Å; K191-L194 HydrophobicContact CG-CD1 4.38Å; K191-L194 WeakPolarHBondContact O-CB 3.23Å; K191-L194 PolarHBondContact O-N 2.96Å; K191-L194 VanDerWaalsContact O-N 3.13Å
192P84.5Confident87.9Confident2 Ų243.8 Ų43.81%0.01322%0.215CC..THydrogen-bonded Turntrans-73.6-13.3-169.435.7-39.7000112.9V184 F189 L194 L195 Q378 F380V184-P192 HydrophobicContact CG2-CB 3.31Å; V184-P192 HydrophobicContact CG2-CG 4.27Å; F189-P192 HydrophobicContact CB-CB 4.07Å; F189-P192 WeakPolarHBondContact O-CD 3.44Å; P192-L194 PolarHBondContact O-N 3.38Å; P192-L195 HydrophobicContact CB-CD1 4.24Å; P192-L195 WeakPolarHBondContact O-CB 3.39Å; P192-L195 PolarHBondContact O-N 2.85Å; P192-Q378 HydrophobicContact CG-CB 4.08Å; P192-Q378 HydrophobicContact CG-CG 4.41Å; P192-F380 HydrophobicContact CB-CD2 4.19Å; P192-F380 HydrophobicContact CB-CE2 3.38Å; P192-F380 HydrophobicContact CB-CZ 3.9Å; P192-F380 HydrophobicContact CG-CE2 3.54Å; P192-F380 HydrophobicContact CG-CZ 3.63Å
193N86.2Confident88Confident69 Ų6943.3 Ų43.337%0.36921%0.212SC..THydrogen-bonded Turntrans-59.2-33.5171-52-69.6000111.9K191 L195 A196 F380K191-N193 PolarHBondContact O-N 3.25Å; K191-N193 VanDerWaalsContact O-N 3.15Å; N193-L195 PolarHBondContact O-N 2.74Å; N193-A196 PolarHBondContact O-N 2.95Å; N193-F380 HydrophobicContact CB-CE1 4.11Å; N193-F380 WeakPolarHBondContact OD1-CE1 3.26Å
194L90.1Very high88.2Confident38 Ų3845 Ų4520%0.19922%0.221CC..Hα-helixtrans-68-20.6-177.8-61177.7000112.7E33 K191 P192 A196 D197 Y198E33-L194 WeakPolarHBondContact OE2-CD1 3.49Å; K191-L194 HydrophobicContact CB-CD1 3.68Å; K191-L194 HydrophobicContact CB-CG 4.04Å; K191-L194 HydrophobicContact CD-CD1 3.66Å; K191-L194 HydrophobicContact CG-CD1 4.38Å; K191-L194 WeakPolarHBondContact O-CB 3.23Å; K191-L194 PolarHBondContact O-N 2.96Å; K191-L194 VanDerWaalsContact O-N 3.13Å; P192-L194 PolarHBondContact O-N 3.38Å; L194-A196 PolarHBondContact O-N 2.8Å; L194-D197 PolarHBondContact O-N 2.77Å; L194-Y198 HydrophobicContact CB-CD2 4.21Å; L194-Y198 HydrophobicContact CB-CE2 3.78Å; L194-Y198 WeakPolarHBondContact O-CB 3.04Å; L194-Y198 WeakPolarHBondContact O-CD2 3.4Å; L194-Y198 VanDerWaalsContact O-CG 3.26Å; L194-Y198 PolarHBondContact O-N 2.97Å
195L91.5Very high88.4Confident2 Ų247.7 Ų47.71%0.0124%0.235CC..Hα-helixtrans-64.6-31.3177.1-66166.1000111.9T26 L27 Y30 L182 V184 F189 P192 N193 M199T26-L195 HydrophobicContact CG2-CB 4.31Å; T26-L195 HydrophobicContact CG2-CD2 4.07Å; T26-L195 WeakPolarHBondContact CG2-O 3.32Å; L27-L195 HydrophobicContact CD2-CD2 4.13Å; Y30-L195 HydrophobicContact CD2-CD2 3.71Å; Y30-L195 HydrophobicContact CD2-CG 4.04Å; Y30-L195 HydrophobicContact CG-CD2 3.7Å; Y30-L195 HydrophobicContact CG-CG 4.49Å; L182-L195 HydrophobicContact CD2-CB 3.92Å; L182-L195 HydrophobicContact CD2-CD1 3.78Å; L182-L195 HydrophobicContact CD2-CG 4.34Å; V184-L195 HydrophobicContact CG1-CD1 3.78Å; V184-L195 HydrophobicContact CG2-CD1 4.25Å; F189-L195 HydrophobicContact CD1-CD1 3.79Å; F189-L195 HydrophobicContact CD1-CD2 4.39Å; F189-L195 HydrophobicContact CE1-CD1 4.17Å; F189-L195 HydrophobicContact CE1-CD2 4.32Å; F189-L195 HydrophobicContact CG-CD1 4.42Å; P192-L195 HydrophobicContact CB-CD1 4.24Å; P192-L195 WeakPolarHBondContact O-CB 3.39Å; P192-L195 PolarHBondContact O-N 2.85Å; N193-L195 PolarHBondContact O-N 2.74Å; L195-M199 WeakPolarHBondContact O-CB 3.37Å; L195-M199 PolarHBondContact O-N 3.2Å; L195-M199 VanDerWaalsContact O-N 3.13Å
196A89.1Confident88.8Confident5 Ų547.1 Ų47.14%0.04123%0.231CC..Hα-helixtrans-65.9-53.9174.600000109.6N193 L194 Y198 M199 E200 V382N193-A196 PolarHBondContact O-N 2.95Å; L194-A196 PolarHBondContact O-N 2.8Å; A196-Y198 VanDerWaalsContact C-N 3.32Å; A196-Y198 PolarHBondContact O-N 3.23Å; A196-M199 WeakPolarHBondContact O-CA 3.47Å; A196-M199 WeakPolarHBondContact O-CB 3.41Å; A196-M199 PolarHBondContact O-N 3.31Å; A196-E200 WeakPolarHBondContact O-CG 3.47Å; A196-E200 PolarHBondContact O-N 3.46Å; A196-V382 HydrophobicContact CB-CG2 3.74Å
197D91.5Very high89.1Confident69 Ų6945.3 Ų45.337%0.36922%0.22SC..Hα-helixtrans-56.3-45.1-179.7-53.3-22000111.3L194 M199 E200 E201L194-D197 PolarHBondContact O-N 2.77Å; D197-M199 VanDerWaalsContact C-N 3.32Å; D197-M199 PolarHBondContact O-N 2.77Å; D197-E200 PolarHBondContact O-N 3.35Å; D197-E201 WeakPolarHBondContact O-CG 3.3Å; D197-E201 PolarHBondContact O-N 3.18Å
198Y94.2Very high89.4Confident29 Ų2946.9 Ų46.911%0.11422%0.218CC..Hα-helixtrans-65.1-31.5176.2-66.6-31.9000114.2R29 Y30 E33 L194 A196 E201 E202R29-Y198 HydrophobicContact CB-CD1 4.09Å; R29-Y198 HydrophobicContact CB-CD2 4.08Å; R29-Y198 HydrophobicContact CB-CG 3.87Å; Y30-Y198 HydrophobicContact CD2-CE2 4.29Å; E33-Y198 WeakPolarHBondContact CG-OH 3.35Å; E33-Y198 PolarHBondContact OE1-OH 3.28Å; E33-Y198 PolarHBondContact OE2-OH 3.11Å; L194-Y198 HydrophobicContact CB-CD2 4.21Å; L194-Y198 HydrophobicContact CB-CE2 3.78Å; L194-Y198 WeakPolarHBondContact O-CB 3.04Å; L194-Y198 WeakPolarHBondContact O-CD2 3.4Å; L194-Y198 VanDerWaalsContact O-CG 3.26Å; L194-Y198 PolarHBondContact O-N 2.97Å; A196-Y198 VanDerWaalsContact C-N 3.32Å; A196-Y198 PolarHBondContact O-N 3.23Å; Y198-E201 WeakPolarHBondContact CD1-OE2 3.44Å; Y198-E202 WeakPolarHBondContact O-CB 3.27Å; Y198-E202 VanDerWaalsContact O-CG 3.28Å; Y198-E202 WeakPolarHBondContact O-CG 3.28Å; Y198-E202 PolarHBondContact O-N 3.34Å
199M92.5Very high89.5Confident5 Ų546.3 Ų46.33%0.02522%0.216CC..Hα-helixtrans-69-41.5173.8-170.469.1173.500110.7L22 T26 F171 I180 L195 A196 D197 E202 V203 V382 I384L22-M199 HydrophobicContact CB-CE 3.47Å; L22-M199 VanDerWaalsContact CB-CE 3.47Å; L22-M199 HydrophobicContact CB-SD 3.89Å; L22-M199 HydrophobicContact CD1-CE 4.27Å; T26-M199 HydrophobicContact CG2-CB 4.13Å; T26-M199 VanDerWaalsContact OG1-CA 3.28Å; T26-M199 WeakPolarHBondContact OG1-CA 3.38Å; T26-M199 PolarHBondContact OG1-SD 2.9Å; F171-M199 HydrophobicContact CE1-CE 4.29Å; I180-M199 HydrophobicContact CD1-CE 3.35Å; I180-M199 HydrophobicContact CD1-CG 4.04Å; I180-M199 HydrophobicContact CD1-SD 4.49Å; I180-M199 HydrophobicContact CG1-CE 4.38Å; L195-M199 WeakPolarHBondContact O-CB 3.37Å; L195-M199 PolarHBondContact O-N 3.2Å; L195-M199 VanDerWaalsContact O-N 3.13Å; A196-M199 WeakPolarHBondContact O-CA 3.47Å; A196-M199 WeakPolarHBondContact O-CB 3.41Å; A196-M199 PolarHBondContact O-N 3.31Å; D197-M199 VanDerWaalsContact C-N 3.32Å; D197-M199 PolarHBondContact O-N 2.77Å; M199-E202 PolarHBondContact O-N 2.95Å; M199-V203 VanDerWaalsContact O-CG2 3.31Å; M199-V203 WeakPolarHBondContact O-CG2 3.1Å; M199-V203 PolarHBondContact O-N 3.35Å; M199-V203 VanDerWaalsContact O-N 3.08Å; M199-V382 HydrophobicContact CB-CG1 4.28Å; M199-V382 HydrophobicContact CB-CG2 4.31Å; M199-V382 HydrophobicContact CG-CG1 4.04Å; M199-I384 HydrophobicContact CE-CD1 4.33Å
200E91Very high89.4Confident47 Ų4746.1 Ų46.122%0.2222%0.215CC..Hα-helixtrans-61.8-46.8175.5-35.2-158.914800110.1A196 D197 E202 V203 D204 V360A196-E200 WeakPolarHBondContact O-CG 3.47Å; A196-E200 PolarHBondContact O-N 3.46Å; D197-E200 PolarHBondContact O-N 3.35Å; E200-E202 VanDerWaalsContact C-N 3.31Å; E200-E202 PolarHBondContact O-N 3.42Å; E200-V203 WeakPolarHBondContact O-CB 3.46Å; E200-V203 PolarHBondContact O-N 3.48Å; E200-V203 VanDerWaalsContact O-N 3.17Å; E200-D204 PolarHBondContact O-N 3.42Å; E200-V360 HydrophobicContact CB-CB 3.95Å; E200-V360 HydrophobicContact CB-CG1 4.12Å; E200-V360 HydrophobicContact CB-CG2 4.05Å; E200-V360 VanDerWaalsContact CD-CB 3.42Å; E200-V360 VanDerWaalsContact CD-CG1 3.48Å; E200-V360 HydrophobicContact CG-CB 3.74Å; E200-V360 HydrophobicContact CG-CG1 3.52Å; E200-V360 HydrophobicContact CG-CG2 4.35Å; E200-V360 WeakPolarHBondContact OE1-CB 3.44Å; E200-V360 WeakPolarHBondContact OE1-CG1 3.5Å
201E92.9Very high89Confident83 Ų8341.8 Ų41.839%0.38820%0.197SC..Hα-helixtrans-65.6-29.5178.7-65.8174.9175.400113.7R29 D197 Y198 L205R29-E201 IonicContact CZ-OE2 3.78Å; R29-E201 IonicContact NH1-OE2 2.77Å; R29-E201 PolarHBondContact NH1-OE2 3.4Å; R29-E201 PolarHBondContact NH2-O 3.15Å; R29-E201 VanDerWaalsContact NH2-O 3.08Å; D197-E201 WeakPolarHBondContact O-CG 3.3Å; D197-E201 PolarHBondContact O-N 3.18Å; Y198-E201 WeakPolarHBondContact CD1-OE2 3.44Å; E201-L205 WeakPolarHBondContact O-CB 2.94Å; E201-L205 WeakPolarHBondContact O-CG 3.28Å; E201-L205 PolarHBondContact O-N 2.91Å
202E93.5Very high88.1Confident4 Ų439.8 Ų39.82%0.01920%0.195CC..Hα-helixtrans-70.7-39.1173.5-81-67.2138.100111.8L22 R29 R81 Y198 M199 E200 L205 L206L22-E202 HydrophobicContact CD2-CB 3.94Å; R29-E202 IonicContact CZ-OE1 2.74Å; R29-E202 IonicContact NE-OE1 3.21Å; R29-E202 PolarHBondContact NE-OE1 3Å; R29-E202 VanDerWaalsContact NH2-CD 3.3Å; R29-E202 IonicContact NH2-OE1 2.95Å; R29-E202 PolarHBondContact NH2-OE1 3.4Å; R81-E202 IonicContact CZ-OE2 2.82Å; R81-E202 IonicContact NH1-OE1 2.77Å; R81-E202 IonicContact NH1-OE2 3.82Å; R81-E202 PolarHBondContact NH1-OE2 2.89Å; Y198-E202 WeakPolarHBondContact O-CB 3.27Å; Y198-E202 VanDerWaalsContact O-CG 3.28Å; Y198-E202 WeakPolarHBondContact O-CG 3.28Å; Y198-E202 PolarHBondContact O-N 3.34Å; M199-E202 PolarHBondContact O-N 2.95Å; E200-E202 VanDerWaalsContact C-N 3.31Å; E200-E202 PolarHBondContact O-N 3.42Å; E202-L205 PolarHBondContact O-N 3.32Å; E202-L206 WeakPolarHBondContact O-CB 3.38Å; E202-L206 PolarHBondContact O-N 2.93Å
203V91.6Very high87Confident2 Ų243.4 Ų43.41%0.01221%0.209CC..Hα-helixtrans-63.8-43.7173173.90000110.3L22 M199 E200 L206 F207 I384L22-V203 HydrophobicContact CD1-CG2 3.88Å; L22-V203 HydrophobicContact CD2-CG2 4.14Å; M199-V203 VanDerWaalsContact O-CG2 3.31Å; M199-V203 WeakPolarHBondContact O-CG2 3.1Å; M199-V203 PolarHBondContact O-N 3.35Å; M199-V203 VanDerWaalsContact O-N 3.08Å; E200-V203 WeakPolarHBondContact O-CB 3.46Å; E200-V203 PolarHBondContact O-N 3.48Å; E200-V203 VanDerWaalsContact O-N 3.17Å; V203-L206 WeakPolarHBondContact O-CB 3.28Å; V203-L206 PolarHBondContact O-N 3.33Å; V203-F207 HydrophobicContact CG1-CD2 3.71Å; V203-F207 HydrophobicContact CG1-CE2 3.53Å; V203-F207 VanDerWaalsContact O-CD2 3.22Å; V203-F207 WeakPolarHBondContact O-CD2 3.24Å; V203-F207 PolarHBondContact O-N 2.75Å; V203-I384 HydrophobicContact CG1-CG2 4.35Å; V203-I384 HydrophobicContact CG2-CD1 3.59Å; V203-I384 HydrophobicContact CG2-CG1 4.18Å
204D91.1Very high85.7Confident40 Ų4041.6 Ų41.621%0.21420%0.199CC..Hα-helixtrans-60.8-45.3174.9-81.14.8000112.2E200 L206 F207 R208 P358E200-D204 PolarHBondContact O-N 3.42Å; D204-L206 VanDerWaalsContact C-N 3.31Å; D204-L206 PolarHBondContact O-N 3.24Å; D204-F207 PolarHBondContact O-N 3.24Å; D204-R208 WeakPolarHBondContact O-CB 3.48Å; D204-R208 VanDerWaalsContact O-CG 3.23Å; D204-R208 WeakPolarHBondContact O-CG 3.34Å; D204-R208 PolarHBondContact O-N 3.44Å; D204-R208 IonicContact OD2-NH2 2.82Å; D204-P358 WeakPolarHBondContact OD1-CG 3.49Å
205L90.9Very high84.1Confident58 Ų5846.8 Ų46.830%0.30423%0.226SC..Hα-helixtrans-62.9-39.3177.1-77.6-164.5000112R29 V78 E201 E202 Q209R29-L205 VanDerWaalsContact NH2-CG 3.31Å; V78-L205 HydrophobicContact CG2-CB 3.82Å; V78-L205 HydrophobicContact CG2-CD1 4.48Å; E201-L205 WeakPolarHBondContact O-CB 2.94Å; E201-L205 WeakPolarHBondContact O-CG 3.28Å; E201-L205 PolarHBondContact O-N 2.91Å; E202-L205 PolarHBondContact O-N 3.32Å; L205-Q209 WeakPolarHBondContact O-CB 3.11Å; L205-Q209 VanDerWaalsContact O-CG 3.29Å; L205-Q209 WeakPolarHBondContact O-CG 3.35Å; L205-Q209 PolarHBondContact O-N 3.43Å; L205-Q209 VanDerWaalsContact O-N 3.09Å
206L90.8Very high82.3Confident1 Ų151.4 Ų51.41%0.00525%0.251CS..Hα-helixtrans-57.6-53.1174.9-179.275.6000110.4L11 L18 L22 V78 E202 V203 D204 Q209 I210L11-L206 HydrophobicContact CD1-CD1 4.13Å; L18-L206 HydrophobicContact CD1-CD1 3.94Å; L18-L206 HydrophobicContact CD1-CD2 3.72Å; L18-L206 HydrophobicContact CD2-CD2 4.08Å; L18-L206 HydrophobicContact CG-CD2 4.24Å; L22-L206 HydrophobicContact CD2-CB 4.44Å; L22-L206 HydrophobicContact CD2-CD2 4.46Å; V78-L206 HydrophobicContact CG1-CB 3.92Å; V78-L206 HydrophobicContact CG1-CD1 3.47Å; V78-L206 VanDerWaalsContact CG1-CD1 3.47Å; V78-L206 HydrophobicContact CG1-CG 4.3Å; E202-L206 WeakPolarHBondContact O-CB 3.38Å; E202-L206 PolarHBondContact O-N 2.93Å; V203-L206 WeakPolarHBondContact O-CB 3.28Å; V203-L206 PolarHBondContact O-N 3.33Å; D204-L206 VanDerWaalsContact C-N 3.31Å; D204-L206 PolarHBondContact O-N 3.24Å; L206-Q209 PolarHBondContact O-N 3.04Å; L206-I210 HydrophobicContact CD1-CD1 3.54Å; L206-I210 HydrophobicContact CG-CD1 3.7Å; L206-I210 WeakPolarHBondContact O-CB 3.37Å; L206-I210 VanDerWaalsContact O-CG1 3.29Å; L206-I210 WeakPolarHBondContact O-CG1 3.5Å; L206-I210 PolarHBondContact O-N 2.95Å; L206-I210 VanDerWaalsContact O-N 3.07Å
207F88.5Confident80.6Confident11 Ų1155.9 Ų55.95%0.04827%0.273CS..Hα-helixtrans-67.3-41.2-178.1-73.4-61.1000111.8H3 A7 V203 D204 Q209 I210 D211H3-F207 HydrophobicContact CB-CE1 3.75Å; H3-F207 HydrophobicContact CB-CZ 4Å; A7-F207 HydrophobicContact CB-CE1 4.37Å; V203-F207 HydrophobicContact CG1-CD2 3.71Å; V203-F207 HydrophobicContact CG1-CE2 3.53Å; V203-F207 VanDerWaalsContact O-CD2 3.22Å; V203-F207 WeakPolarHBondContact O-CD2 3.24Å; V203-F207 PolarHBondContact O-N 2.75Å; D204-F207 PolarHBondContact O-N 3.24Å; F207-Q209 PolarHBondContact O-N 3.2Å; F207-Q209 VanDerWaalsContact O-N 3.14Å; F207-I210 CarbonylContact O-C 3.55Å; F207-I210 PolarHBondContact O-N 2.99Å; F207-D211 VanDerWaalsContact O-CB 3.28Å; F207-D211 WeakPolarHBondContact O-CB 3.41Å; F207-D211 PolarHBondContact O-N 3.47Å
208R87.5Confident78.6Confident167 Ų16758 Ų5863%0.6329%0.285SS*.Hα-helixtrans-56.7-33.9173.5-73.4175.5-171.2168.59113.4D204 P212D204-R208 WeakPolarHBondContact O-CB 3.48Å; D204-R208 VanDerWaalsContact O-CG 3.23Å; D204-R208 WeakPolarHBondContact O-CG 3.34Å; D204-R208 PolarHBondContact O-N 3.44Å; D204-R208 IonicContact OD2-NH2 2.82Å; R208-P212 WeakPolarHBondContact O-CD 3.31Å
209Q85.1Confident76Confident76 Ų7663.4 Ų63.436%0.35531%0.311SS..Hα-helixtrans-79.6-27.3177.2-71.8-179.35.600113.4I79 L205 L206 F207I79-Q209 HydrophobicContact CD1-CB 4.36Å; L205-Q209 WeakPolarHBondContact O-CB 3.11Å; L205-Q209 VanDerWaalsContact O-CG 3.29Å; L205-Q209 WeakPolarHBondContact O-CG 3.35Å; L205-Q209 PolarHBondContact O-N 3.43Å; L205-Q209 VanDerWaalsContact O-N 3.09Å; L206-Q209 PolarHBondContact O-N 3.04Å; F207-Q209 PolarHBondContact O-N 3.2Å; F207-Q209 VanDerWaalsContact O-N 3.14Å
210I83.3Confident73.7Confident0 Ų067.4 Ų67.40%034%0.337CS..Hα-helixtrans-98.1-31.7-174.4-63.4171.6000111.7A7 L10 L11 L206 F207 P212 R213 L214A7-I210 HydrophobicContact CB-CD1 3.85Å; L10-I210 HydrophobicContact CD1-CG2 4.19Å; L10-I210 HydrophobicContact CD2-CG2 4.14Å; L11-I210 HydrophobicContact CD1-CD1 3.73Å; L11-I210 HydrophobicContact CD2-CD1 4.44Å; L11-I210 HydrophobicContact CG-CD1 4.12Å; L206-I210 HydrophobicContact CD1-CD1 3.54Å; L206-I210 HydrophobicContact CG-CD1 3.7Å; L206-I210 WeakPolarHBondContact O-CB 3.37Å; L206-I210 VanDerWaalsContact O-CG1 3.29Å; L206-I210 WeakPolarHBondContact O-CG1 3.5Å; L206-I210 PolarHBondContact O-N 2.95Å; L206-I210 VanDerWaalsContact O-N 3.07Å; F207-I210 CarbonylContact O-C 3.55Å; F207-I210 PolarHBondContact O-N 2.99Å; I210-P212 VanDerWaalsContact C-CD 3.46Å; I210-R213 CarbonylContact O-C 3.57Å; I210-R213 VanDerWaalsContact O-CA 3.27Å; I210-R213 WeakPolarHBondContact O-CA 3.25Å; I210-R213 VanDerWaalsContact O-CB 3.3Å; I210-R213 WeakPolarHBondContact O-CB 3.34Å; I210-R213 PolarHBondContact O-N 2.89Å; I210-L214 HydrophobicContact CG2-CD1 3.8Å; I210-L214 HydrophobicContact CG2-CD2 3.68Å; I210-L214 HydrophobicContact CG2-CG 3.43Å; I210-L214 VanDerWaalsContact CG2-CG 3.43Å; I210-L214 PolarHBondContact O-N 3.24Å
211D74.6Confident71.5Confident54 Ų5469.6 Ų69.629%0.28935%0.349SS..Hα-helixtrans-51.5-44.9-177.6-74.5-20.8000113.7F207 R213 L214 L215F207-D211 VanDerWaalsContact O-CB 3.28Å; F207-D211 WeakPolarHBondContact O-CB 3.41Å; F207-D211 PolarHBondContact O-N 3.47Å; D211-R213 PolarHBondContact O-N 3.38Å; D211-L214 PolarHBondContact O-N 3.28Å; D211-L214 VanDerWaalsContact O-N 3.15Å; D211-L215 WeakPolarHBondContact O-CG 3.41Å; D211-L215 PolarHBondContact O-N 3.14Å; D211-L215 VanDerWaalsContact O-N 3.09Å
212P68.9Low68.9Low74 Ų7472.1 Ų72.148%0.48137%0.37SS..Hα-helixtrans-61.7-28175.1-2031.7000112.8R208 I210 N216R208-P212 WeakPolarHBondContact O-CD 3.31Å; I210-P212 VanDerWaalsContact C-CD 3.46Å; P212-N216 PolarHBondContact O-ND2 3.33Å
213R61.9Low66.4Low78 Ų7877.2 Ų77.229%0.29439%0.389SS..Hα-helixtrans-87.4-29.4178.3-57.8175.6170.3171.6-1.1111.9L10 I210 D211 N216 L217 M221L10-R213 HydrophobicContact CD1-CB 3.8Å; I210-R213 CarbonylContact O-C 3.57Å; I210-R213 VanDerWaalsContact O-CA 3.27Å; I210-R213 WeakPolarHBondContact O-CA 3.25Å; I210-R213 VanDerWaalsContact O-CB 3.3Å; I210-R213 WeakPolarHBondContact O-CB 3.34Å; I210-R213 PolarHBondContact O-N 2.89Å; D211-R213 PolarHBondContact O-N 3.38Å; R213-N216 PolarHBondContact O-N 2.98Å; R213-L217 PolarHBondContact O-N 2.92Å; R213-M221 HydrophobicContact CB-CE 4.49Å; R213-M221 HydrophobicContact CG-CE 4.05Å
214L59.9Low63.8Low30 Ų3082.1 Ų82.116%0.15742%0.421CS..Hα-helixtrans-67-38.6174.8-68.5178.3000111.6K6 L10 I210 D211 N216 L217K6-L214 HydrophobicContact CB-CD2 4.08Å; L10-L214 HydrophobicContact CD1-CD2 3.99Å; I210-L214 HydrophobicContact CG2-CD1 3.8Å; I210-L214 HydrophobicContact CG2-CD2 3.68Å; I210-L214 HydrophobicContact CG2-CG 3.43Å; I210-L214 VanDerWaalsContact CG2-CG 3.43Å; I210-L214 PolarHBondContact O-N 3.24Å; D211-L214 PolarHBondContact O-N 3.28Å; D211-L214 VanDerWaalsContact O-N 3.15Å; L214-N216 PolarHBondContact O-N 2.9Å; L214-L217 HydrophobicContact CD2-CD1 3.67Å; L214-L217 PolarHBondContact O-N 3.25Å
215L56.2Low61.1Low148 Ų14889 Ų8978%0.77546%0.457SS*.THydrogen-bonded Turntrans-66.2-26.7175.3-67.4169.1000112.3D211D211-L215 WeakPolarHBondContact O-CG 3.41Å; D211-L215 PolarHBondContact O-N 3.14Å; D211-L215 VanDerWaalsContact O-N 3.09Å
216N53.1Low58.5Low99 Ų9989.3 Ų89.353%0.52947%0.474SS..THydrogen-bonded Turntrans-96.44.9-178.2-75-47000114.7P212 R213 L214 N218 Q219P212-N216 PolarHBondContact O-ND2 3.33Å; R213-N216 PolarHBondContact O-N 2.98Å; L214-N216 PolarHBondContact O-N 2.9Å; N216-N218 PolarHBondContact O-N 3.06Å; N216-Q219 PolarHBondContact O-N 2.9Å
217L54.2Low56.1Low98 Ų9898.2 Ų98.251%0.51351%0.513SS..THydrogen-bonded Turntrans-61.9-3.7-179.4-90.9162.7000114.9L10 R213 L214 Q219L10-L217 HydrophobicContact CD1-CD1 4.13Å; L10-L217 HydrophobicContact CD1-CD2 4.35Å; L10-L217 HydrophobicContact CD1-CG 4.21Å; R213-L217 PolarHBondContact O-N 2.92Å; L214-L217 HydrophobicContact CD2-CD1 3.67Å; L214-L217 PolarHBondContact O-N 3.25Å; L217-Q219 PolarHBondContact O-N 3.48Å
218N48.2Very low53.6Low115 Ų115105.3 Ų105.362%0.61555%0.546SS*.THydrogen-bonded Turntrans-76.4-4.6168-73.7-20.8000113.6N216 Q343N216-N218 PolarHBondContact O-N 3.06Å; N218-Q343 PolarHBondContact OD1-NE2 2.89Å
219Q41.5Very low51.2Low142 Ų142101 Ų10166%0.66453%0.533SS*.SBendtrans-113.7138.3173.8-63.7-173.37.700111.2N216 L217 M221N216-Q219 PolarHBondContact O-N 2.9Å; L217-Q219 PolarHBondContact O-N 3.48Å; Q219-M221 PolarHBondContact O-N 2.97Å; Q219-M221 VanDerWaalsContact O-N 3.08Å
220P44.2Very low49Very low88 Ų88101.4 Ų101.457%0.57154%0.543SS*.  trans-64.1113.2173.726.1-31.6000109.2T222 M316P220-T222 PolarHBondContact O-N 2.96Å; P220-T222 VanDerWaalsContact O-N 3.13Å; P220-M316 HydrophobicContact CG-CE 3.94Å; P220-M316 HydrophobicContact CG-SD 4.01Å
221M44.7Very low47.1Very low94 Ų94107.6 Ų107.646%0.46357%0.573SS.*  trans-75.9100.3179.3-161.1167.5-154.200109.3R213 Q219 W223R213-M221 HydrophobicContact CB-CE 4.49Å; R213-M221 HydrophobicContact CG-CE 4.05Å; Q219-M221 PolarHBondContact O-N 2.97Å; Q219-M221 VanDerWaalsContact O-N 3.08Å; M221-W223 HydrophobicContact CE-CH2 4.23Å; M221-W223 HydrophobicContact CE-CZ2 3.69Å; M221-W223 HydrophobicContact CG-CZ2 4.42Å; M221-W223 PolarHBondContact O-N 2.88Å; M221-W223 HydrophobicContact SD-CZ2 3.54Å; M221-W223 VanDerWaalsContact SD-CZ2 3.54Å; M221-W223 PolarHBondContact SD-NE1 3.41Å
222T37.6Very low45.5Very low136 Ų136112.1 Ų112.183%0.83459%0.594SS**  trans-76.5101.1168.945.90000109P220P220-T222 PolarHBondContact O-N 2.96Å; P220-T222 VanDerWaalsContact O-N 3.13Å
223W41Very low44Very low111 Ų111118 Ų11842%0.4261%0.607SS.*  trans-76.7147168.3-70.590.1000109.9M221 L225M221-W223 HydrophobicContact CE-CH2 4.23Å; M221-W223 HydrophobicContact CE-CZ2 3.69Å; M221-W223 HydrophobicContact CG-CZ2 4.42Å; M221-W223 PolarHBondContact O-N 2.88Å; M221-W223 HydrophobicContact SD-CZ2 3.54Å; M221-W223 VanDerWaalsContact SD-CZ2 3.54Å; M221-W223 PolarHBondContact SD-NE1 3.41Å; W223-L225 PolarHBondContact O-N 3.43Å
224P36.5Very low42.6Very low104 Ų104118.9 Ų118.968%0.67563%0.625SS**  trans-53.7128.417420.3-30.2000109.9G226P224-G226 PolarHBondContact O-N 3.07Å
225L34.3Very low41.5Very low186 Ų186126.7 Ų126.797%0.97466%0.658SS**THydrogen-bonded Turntrans-61.726.6-171.4-83151.1000115.9W223W223-L225 PolarHBondContact O-N 3.43Å
226G36.6Very low40.6Very low64 Ų64129 Ų12966%0.6667%0.665SS**THydrogen-bonded Turntrans-102.4-9.1-176.500000116.2P224P224-G226 PolarHBondContact O-N 3.07Å
227F39.9Very low39.7Very low188 Ų188129.3 Ų129.383%0.82567%0.674SS**  trans-118.189.3-173.4-74.9-83.7000111.5
228Q35.8Very low38.9Very low160 Ų160132.5 Ų132.575%0.74869%0.691SS**  trans-80.2128.7168.2-70.1-177.1-8.800109.8
229H36.7Very low38.5Very low75 Ų75138.7 Ų138.735%0.34771%0.706SS.*  trans-63.9132.1178.3-152-78.1000110.6M231 M232H229-M231 VanDerWaalsContact C-N 3.28Å; H229-M231 PolarHBondContact O-N 3.46Å; H229-M232 PolarHBondContact O-N 2.81Å
230P39.5Very low38.3Very low86 Ų86141 Ų14156%0.55872%0.716SS**G310 helixtrans-60.6-32.4-176.8-23.332.1000114.2M232 R233P230-M232 PolarHBondContact O-N 2.89Å; P230-M232 VanDerWaalsContact O-N 3.11Å; P230-R233 PolarHBondContact O-N 2.82Å; P230-R233 VanDerWaalsContact O-N 3.09Å
231M44.4Very low37.9Very low130 Ų130142.7 Ų142.764%0.6473%0.73SS**G310 helixtrans-65.1-10.3178.7-91.3-163.789.700115.4H229H229-M231 VanDerWaalsContact C-N 3.28Å; H229-M231 PolarHBondContact O-N 3.46Å
232M40.3Very low37.6Very low149 Ų149147 Ų14773%0.73475%0.749SS**G310 helixtrans-94.65.2174.6-79.1-77.3-164.100113.1H229 P230H229-M232 PolarHBondContact O-N 2.81Å; P230-M232 PolarHBondContact O-N 2.89Å; P230-M232 VanDerWaalsContact O-N 3.11Å
233R36.4Very low37.5Very low196 Ų196150.2 Ų150.274%0.7476%0.755SS**  trans-108.216-173.2-132.9-179.4-1671734.5115.6P230P230-R233 PolarHBondContact O-N 2.82Å; P230-R233 VanDerWaalsContact O-N 3.09Å
234S33Very low37.2Very low97 Ų97152.4 Ų152.468%0.67877%0.774SS**SBendtrans-96.8105.9173.777.10000111.3
235K38.3Very low37.3Very low194 Ų194153.4 Ų153.484%0.84378%0.778SS**SBendtrans125.1-0.2147-65.1-173.4175.2-172.40120.4
236E37Very low37.6Very low198 Ų198148.9 Ų148.993%0.92576%0.762SS**SBendtrans-115.4-4.9-177.2-87.3171.9163.300118.2L238E236-L238 PolarHBondContact O-N 2.82Å
237S33.2Very low37.7Very low104 Ų104153.9 Ų153.973%0.72777%0.768SS**SBendtrans-105.465.4179.1700000112.9
238L38.3Very low37.7Very low166 Ų166151.8 Ų151.887%0.86977%0.766SS**SBendtrans-152.238.4172-122.7138.8000112.6E236E236-L238 PolarHBondContact O-N 2.82Å
239R38.4Very low37.9Very low244 Ų244151.9 Ų151.992%0.92177%0.771SS**SBendtrans-148.45.3173.2-82.8-155172.3178.4-2.3118.5
240Q37.1Very low38Very low190 Ų190156.6 Ų156.689%0.88879%0.793SS**  trans-128.614.1-174.1-81.6-178.4-12.200117
241S36.3Very low38Very low124 Ų124157.5 Ų157.587%0.86780%0.802SS**  trans-103.647.2178-41.70000112.4
242Q38.1Very low37.9Very low185 Ų185158.2 Ų158.286%0.86481%0.807SS**  trans-149.677.3169.2-75.7-171.4-10.900109.5
243Q36.5Very low37.7Very low204 Ų204158.4 Ų158.495%0.95381%0.81SS**  trans-164.7109.1147.1-109.51670.300108.7
244L35.3Very low37.7Very low157 Ų157154.9 Ų154.982%0.82282%0.815SS**  trans-116.1148.9-178.5-143154.6000103.9
245V38.2Very low37.7Very low124 Ų124162.1 Ų162.175%0.75283%0.828SS**  trans82.4123.6169.3-163.90000111.9
246S39.8Very low37.8Very low92 Ų92158.1 Ų158.164%0.64382%0.824SS**  cis-176.8167.820.331.20000110.5
247Q40Very low37.5Very low169 Ų169155.3 Ų155.379%0.7982%0.815SS**  trans87.899.4151.1-84.3174.3-38.500120
248D38.1Very low38Very low144 Ų144156.5 Ų156.577%0.7782%0.821SS**  35.4116.9112.3-55.2-24.6000118
249D40.8Very low38Very low162 Ų162157.3 Ų157.387%0.86682%0.82SS**  -165.7145.8109.1-110.6-24.1000113.4
250E39.6Very low38.2Very low173 Ų173150.3 Ų150.381%0.80881%0.808SS**  trans-68.1150.2-176.4-59.1179.1122.500114.2
251S39.9Very low38.3Very low105 Ų105148.4 Ų148.473%0.73481%0.805SS**  166.5106.9129.441.60000110.4
252I41Very low38.8Very low146 Ų146150 Ų15075%0.74980%0.801SS**  84.9104.292.7-71.2163.1000113.4
253L36.4Very low39Very low152 Ų152145.9 Ų145.980%0.79680%0.8SS**  trans47.3112.9137.4-71.1152.9000118.8
254S36.8Very low39.4Very low122 Ų122139.3 Ų139.385%0.85379%0.787SS**  trans-165.2107.8130.5-77.10000111.1
255R33.1Very low40.3Very low249 Ų249137 Ų13794%0.9478%0.784SS**  trans-77.7113.2171.8177.5-179.5180176.8-0.3108.3
256S39.1Very low41.3Very low110 Ų110136.2 Ų136.277%0.76978%0.775SS**  trans-136.8137.3165.453.60000110.6
257N32.4Very low42.4Very low139 Ų139133.1 Ų133.174%0.74375%0.752SS**  trans-60.8140.1-173.1-64.6-29.8000113.2
258P42.1Very low43.9Very low129 Ų129128.8 Ų128.884%0.83874%0.737SS**  trans-102.174.9166.537.2-25.9000109.7
259E40Very low45.7Very low184 Ų184123.9 Ų123.986%0.8671%0.711SS**  trans-11814.7171.5-87.5-169.315800113.6
260S41.2Very low47.3Very low96 Ų96118.7 Ų118.767%0.67169%0.69SS**SBendtrans-126.7-1.2-174.859.10000118.7
261D40.2Very low49.3Very low151 Ų151114 Ų11481%0.80767%0.668SS**  trans-111.934.4-171.1-72-10.8000115.6A263D261-A263 VanDerWaalsContact C-N 3.31Å
262I47.2Very low51.1Low156 Ų156109 Ų10980%0.863%0.634SS**THydrogen-bonded Turntrans-87.13.9176.9-59176.3000112.7
263A42.1Very low52.9Low100 Ų100105.6 Ų105.683%0.82661%0.614SS**THydrogen-bonded Turntrans-95.26.8-177.800000115.3D261 S265D261-A263 VanDerWaalsContact C-N 3.31Å; A263-S265 PolarHBondContact O-N 2.91Å
264G43.6Very low55.1Low66 Ų66103.7 Ų103.768%0.6861%0.605SS**SBendtrans-81.296179.400000113.8
265S55.6Low57.3Low109 Ų10999 Ų9976%0.76257%0.57SS**  trans46.280.1165.573.90000117.3A263A263-S265 PolarHBondContact O-N 2.91Å
266L57.6Low59.6Low107 Ų10787.9 Ų87.956%0.5653%0.529SS*.PPolyproline II helixtrans-56.6126.7158.1-84.5146.7000109.7T268 A321L266-T268 PolarHBondContact O-N 3.02Å; L266-A321 HydrophobicContact CD2-CB 3.17Å
267P63.2Low61.7Low27 Ų2787.3 Ų87.318%0.17552%0.521CS..PPolyproline II helixtrans-62.1125.8-179.223.8-31.7000109.7K314P267-K314 HydrophobicContact CB-CB 4.4Å; P267-K314 HydrophobicContact CB-CD 4.26Å; P267-K314 HydrophobicContact CB-CG 4.3Å; P267-K314 HydrophobicContact CG-CB 4.39Å
268T73Confident64.2Low77 Ų7784.6 Ų84.647%0.47250%0.504SS..PPolyproline II helixtrans-71.1146.9176.555.10000110.2L266 A270 E271 L272L266-T268 PolarHBondContact O-N 3.02Å; T268-A270 PolarHBondContact O-N 2.87Å; T268-A270 VanDerWaalsContact O-N 3.15Å; T268-E271 PolarHBondContact N-OE1 3.29Å; T268-E271 WeakPolarHBondContact O-CB 3.39Å; T268-E271 PolarHBondContact O-N 3.08Å; T268-E271 WeakPolarHBondContact OG1-CG 3.18Å; T268-E271 PolarHBondContact OG1-OE1 2.87Å; T268-L272 PolarHBondContact O-N 2.93Å
269I74.2Confident66.1Low42 Ų4279 Ų7922%0.21547%0.467CS..Hα-helixtrans-54.9-35.1178.4-68.4173.3000111.3E271 L272 E273 A331 R334 L335 L338I269-E271 VanDerWaalsContact C-N 3.31Å; I269-E271 PolarHBondContact O-N 2.9Å; I269-L272 WeakPolarHBondContact O-CB 3.37Å; I269-L272 PolarHBondContact O-N 3.49Å; I269-E273 HydrophobicContact CG2-CG 4.41Å; I269-E273 PolarHBondContact O-N 3.31Å; I269-A331 HydrophobicContact CD1-CB 3.65Å; I269-A331 VanDerWaalsContact CD1-O 3.28Å; I269-A331 WeakPolarHBondContact CD1-O 3.39Å; I269-R334 HydrophobicContact CD1-CB 4.45Å; I269-R334 HydrophobicContact CG2-CB 4.28Å; I269-L335 HydrophobicContact CG1-CD1 4.46Å; I269-L338 HydrophobicContact CG2-CD1 3.86Å
270A76.1Confident68.1Low52 Ų5276.1 Ų76.143%0.4345%0.448SS..Hα-helixtrans-60-36.5175.700000113.1T268 L272 E273 N274T268-A270 PolarHBondContact O-N 2.87Å; T268-A270 VanDerWaalsContact O-N 3.15Å; A270-L272 VanDerWaalsContact C-N 3.31Å; A270-L272 PolarHBondContact O-N 2.87Å; A270-E273 PolarHBondContact O-N 3.06Å; A270-N274 WeakPolarHBondContact O-CB 3.34Å; A270-N274 VanDerWaalsContact O-CG 3.26Å; A270-N274 PolarHBondContact O-N 3.1Å; A270-N274 PolarHBondContact O-ND2 3.01Å
271E80.3Confident70.1Confident74 Ų7477.3 Ų77.335%0.34644%0.441SS..Hα-helixtrans-65.9-36.4173.5-72.8167.5-128.300112T268 I269 L275 K314T268-E271 PolarHBondContact N-OE1 3.29Å; T268-E271 WeakPolarHBondContact O-CB 3.39Å; T268-E271 PolarHBondContact O-N 3.08Å; T268-E271 WeakPolarHBondContact OG1-CG 3.18Å; T268-E271 PolarHBondContact OG1-OE1 2.87Å; I269-E271 VanDerWaalsContact C-N 3.31Å; I269-E271 PolarHBondContact O-N 2.9Å; E271-L275 VanDerWaalsContact O-CB 3.28Å; E271-L275 WeakPolarHBondContact O-CB 3.27Å; E271-L275 PolarHBondContact O-N 2.9Å; E271-K314 IonicContact OE2-NZ 3.65Å; E271-K314 PolarHBondContact OE2-NZ 2.77Å
272L78.9Confident72.1Confident2 Ų270.9 Ų70.91%0.0141%0.407CS..Hα-helixtrans-69.1-40.8179.4-135.9101.8000111.4T268 I269 A270 L275 L276 F311 K314 L315T268-L272 PolarHBondContact O-N 2.93Å; I269-L272 WeakPolarHBondContact O-CB 3.37Å; I269-L272 PolarHBondContact O-N 3.49Å; A270-L272 VanDerWaalsContact C-N 3.31Å; A270-L272 PolarHBondContact O-N 2.87Å; L272-L275 PolarHBondContact O-N 3.12Å; L272-L276 PolarHBondContact O-N 2.94Å; L272-F311 HydrophobicContact CB-CE2 4.5Å; L272-F311 HydrophobicContact CD2-CD2 4.31Å; L272-F311 HydrophobicContact CD2-CE2 3.4Å; L272-F311 VanDerWaalsContact CD2-CE2 3.4Å; L272-F311 HydrophobicContact CD2-CZ 3.78Å; L272-F311 HydrophobicContact CG-CD2 4.04Å; L272-F311 HydrophobicContact CG-CE2 3.52Å; L272-F311 HydrophobicContact CG-CZ 4.38Å; L272-K314 HydrophobicContact CD1-CB 3.57Å; L272-L315 HydrophobicContact CD2-CB 4.25Å; L272-L315 HydrophobicContact CD2-CD1 3.86Å; L272-L315 HydrophobicContact CD2-CG 4.46Å
273E77.6Confident73.8Confident73 Ų7367.2 Ų67.234%0.34139%0.388SS..Hα-helixtrans-63.3-48.3174.1-70.2179.116500111.3I269 A270 L275 L276 V277 L338I269-E273 HydrophobicContact CG2-CG 4.41Å; I269-E273 PolarHBondContact O-N 3.31Å; A270-E273 PolarHBondContact O-N 3.06Å; E273-L275 VanDerWaalsContact C-N 3.29Å; E273-L275 PolarHBondContact O-N 3.43Å; E273-L276 WeakPolarHBondContact O-CB 2.94Å; E273-L276 PolarHBondContact O-N 3.29Å; E273-V277 WeakPolarHBondContact O-CG2 3.39Å; E273-V277 PolarHBondContact O-N 3.28Å; E273-L338 HydrophobicContact CG-CD1 3.58Å; E273-L338 HydrophobicContact CG-CD2 3.71Å; E273-L338 HydrophobicContact CG-CG 4.13Å
274N82.7Confident75.5Confident113 Ų11367.3 Ų67.360%0.60437%0.371SS*.Hα-helixtrans-58.6-42.5177.3-77.1-21000111.6A270 L276 V277 E278A270-N274 WeakPolarHBondContact O-CB 3.34Å; A270-N274 VanDerWaalsContact O-CG 3.26Å; A270-N274 PolarHBondContact O-N 3.1Å; A270-N274 PolarHBondContact O-ND2 3.01Å; N274-L276 PolarHBondContact O-N 3.35Å; N274-V277 PolarHBondContact O-N 2.67Å; N274-E278 WeakPolarHBondContact O-CB 3.16Å; N274-E278 PolarHBondContact O-N 2.87Å
275L82.8Confident77.3Confident24 Ų2467.5 Ų67.513%0.12635%0.354CS..Hα-helixtrans-69.7-32.9179.6-162126.3000112.2E271 L272 E273 E278 I279 F311E271-L275 VanDerWaalsContact O-CB 3.28Å; E271-L275 WeakPolarHBondContact O-CB 3.27Å; E271-L275 PolarHBondContact O-N 2.9Å; L272-L275 PolarHBondContact O-N 3.12Å; E273-L275 VanDerWaalsContact C-N 3.29Å; E273-L275 PolarHBondContact O-N 3.43Å; L275-E278 PolarHBondContact O-N 3.12Å; L275-I279 HydrophobicContact CD2-CD1 3.66Å; L275-I279 HydrophobicContact CG-CD1 4.44Å; L275-I279 WeakPolarHBondContact O-CB 3.32Å; L275-I279 VanDerWaalsContact O-CG1 3.24Å; L275-I279 WeakPolarHBondContact O-CG1 3.27Å; L275-I279 PolarHBondContact O-N 3.05Å; L275-F311 HydrophobicContact CD2-CB 3.31Å; L275-F311 HydrophobicContact CD2-CD2 3.66Å; L275-F311 HydrophobicContact CD2-CG 3.92Å
276L81.6Confident78.6Confident15 Ų1563.6 Ų63.68%0.07933%0.325CS..Hα-helixtrans-67.5-41.5171.1-89.7167.8000113.2L272 E273 N274 E278 I279 R280 F311 L338 C342L272-L276 PolarHBondContact O-N 2.94Å; E273-L276 WeakPolarHBondContact O-CB 2.94Å; E273-L276 PolarHBondContact O-N 3.29Å; N274-L276 PolarHBondContact O-N 3.35Å; L276-E278 VanDerWaalsContact C-N 3.27Å; L276-E278 PolarHBondContact O-N 3.31Å; L276-I279 PolarHBondContact O-N 3.46Å; L276-R280 WeakPolarHBondContact O-CB 3.43Å; L276-R280 WeakPolarHBondContact O-CG 3.49Å; L276-R280 PolarHBondContact O-N 3.37Å; L276-F311 HydrophobicContact CD1-CE2 3.53Å; L276-F311 HydrophobicContact CD1-CZ 3.49Å; L276-F311 VanDerWaalsContact CD1-CZ 3.49Å; L276-F311 HydrophobicContact CD2-CD2 4.44Å; L276-F311 HydrophobicContact CD2-CE1 4.15Å; L276-F311 HydrophobicContact CD2-CE2 3.94Å; L276-F311 HydrophobicContact CD2-CZ 3.78Å; L276-F311 HydrophobicContact CG-CD2 4Å; L276-F311 HydrophobicContact CG-CE1 4.4Å; L276-F311 HydrophobicContact CG-CE2 3.33Å; L276-F311 HydrophobicContact CG-CZ 3.58Å; L276-L338 HydrophobicContact CD1-CD2 3.43Å; L276-L338 VanDerWaalsContact CD1-CD2 3.43Å; L276-C342 WeakPolarHBondContact CD2-SG 3.33Å
277V83.9Confident79.5Confident98 Ų9867 Ų6759%0.59434%0.335SS*.Hα-helixtrans-60.1-44.3174.9171.40000109.6E273 N274 R280 F281E273-V277 WeakPolarHBondContact O-CG2 3.39Å; E273-V277 PolarHBondContact O-N 3.28Å; N274-V277 PolarHBondContact O-N 2.67Å; V277-R280 PolarHBondContact O-N 2.95Å; V277-F281 WeakPolarHBondContact O-CB 3.14Å; V277-F281 PolarHBondContact O-N 3.07Å
278E83.9Confident80.1Confident81 Ų8174.3 Ų74.338%0.37936%0.359SS..Hα-helixtrans-63.3-47.3177.4-167.1177.9-166.500112.1N274 L275 L276 R280 F281 E282 K307N274-E278 WeakPolarHBondContact O-CB 3.16Å; N274-E278 PolarHBondContact O-N 2.87Å; L275-E278 PolarHBondContact O-N 3.12Å; L276-E278 VanDerWaalsContact C-N 3.27Å; L276-E278 PolarHBondContact O-N 3.31Å; E278-R280 VanDerWaalsContact C-N 3.32Å; E278-R280 PolarHBondContact O-N 3.21Å; E278-F281 PolarHBondContact O-N 2.83Å; E278-E282 WeakPolarHBondContact O-CB 3.44Å; E278-E282 WeakPolarHBondContact O-CG 3.33Å; E278-E282 PolarHBondContact O-N 2.85Å; E278-K307 VanDerWaalsContact CD-CE 3.42Å; E278-K307 VanDerWaalsContact OE1-CE 3.24Å; E278-K307 WeakPolarHBondContact OE1-CE 3.34Å; E278-K307 IonicContact OE1-NZ 3.1Å; E278-K307 PolarHBondContact OE1-NZ 2.74Å; E278-K307 IonicContact OE2-NZ 3.32Å
279I82.4Confident80.5Confident13 Ų1372.9 Ų72.97%0.06735%0.351CS..Hα-helixtrans-60.8-41.2176.2-70.6166.4000111.3L275 L276 E282 L283 K307 M308 F311L275-I279 HydrophobicContact CD2-CD1 3.66Å; L275-I279 HydrophobicContact CG-CD1 4.44Å; L275-I279 WeakPolarHBondContact O-CB 3.32Å; L275-I279 VanDerWaalsContact O-CG1 3.24Å; L275-I279 WeakPolarHBondContact O-CG1 3.27Å; L275-I279 PolarHBondContact O-N 3.05Å; L276-I279 PolarHBondContact O-N 3.46Å; I279-E282 PolarHBondContact O-N 2.88Å; I279-L283 HydrophobicContact CG2-CD1 4.25Å; I279-L283 WeakPolarHBondContact O-CB 3.32Å; I279-L283 WeakPolarHBondContact O-CG 3.32Å; I279-L283 PolarHBondContact O-N 3.48Å; I279-K307 HydrophobicContact CG1-CB 4.15Å; I279-M308 HydrophobicContact CD1-CG 4.3Å; I279-M308 HydrophobicContact CG2-CG 4.26Å; I279-F311 HydrophobicContact CD1-CB 3.88Å; I279-F311 HydrophobicContact CD1-CG 4.31Å
280R82.3Confident80.5Confident123 Ų12377.6 Ų77.646%0.46438%0.381SS..Hα-helixtrans-65.7-42.6177.8-78.5180176176.32111.6L276 V277 E278 L283 Q284 S341L276-R280 WeakPolarHBondContact O-CB 3.43Å; L276-R280 WeakPolarHBondContact O-CG 3.49Å; L276-R280 PolarHBondContact O-N 3.37Å; V277-R280 PolarHBondContact O-N 2.95Å; E278-R280 VanDerWaalsContact C-N 3.32Å; E278-R280 PolarHBondContact O-N 3.21Å; R280-L283 PolarHBondContact O-N 2.96Å; R280-Q284 WeakPolarHBondContact O-CG 3.25Å; R280-Q284 PolarHBondContact O-N 3.46Å; R280-S341 PolarHBondContact NH2-O 3.21Å
281F83.8Confident80.6Confident121 Ų12177.8 Ų77.853%0.53137%0.372SS..Hα-helixtrans-61.1-47.8175.5-178.5-96.4000110.7V277 E278 L283 Q284 E285V277-F281 WeakPolarHBondContact O-CB 3.14Å; V277-F281 PolarHBondContact O-N 3.07Å; E278-F281 PolarHBondContact O-N 2.83Å; F281-L283 PolarHBondContact O-N 3.41Å; F281-Q284 WeakPolarHBondContact O-CB 3.43Å; F281-Q284 PolarHBondContact O-N 3.24Å; F281-Q284 VanDerWaalsContact O-N 3.13Å; F281-E285 WeakPolarHBondContact O-CB 3.06Å; F281-E285 PolarHBondContact O-N 3.18Å
282E82.3Confident80.2Confident16 Ų1679.8 Ų79.88%0.07539%0.392CS..Hα-helixtrans-61.7-41177.6-72.1-71.3-173.100113E278 I279 Q284 E285 L286 R300 M304 K307E278-E282 WeakPolarHBondContact O-CB 3.44Å; E278-E282 WeakPolarHBondContact O-CG 3.33Å; E278-E282 PolarHBondContact O-N 2.85Å; I279-E282 PolarHBondContact O-N 2.88Å; E282-Q284 VanDerWaalsContact C-N 3.32Å; E282-Q284 PolarHBondContact O-N 3.2Å; E282-E285 PolarHBondContact O-N 3.5Å; E282-L286 WeakPolarHBondContact O-CB 3.27Å; E282-L286 PolarHBondContact O-N 2.92Å; E282-R300 IonicContact OE1-CZ 3.11Å; E282-R300 IonicContact OE1-NH2 2.85Å; E282-R300 PolarHBondContact OE1-NH2 3.31Å; E282-R300 IonicContact OE2-CZ 3.41Å; E282-R300 IonicContact OE2-NE 3.23Å; E282-R300 PolarHBondContact OE2-NE 3.28Å; E282-R300 VanDerWaalsContact OE2-NE 3.11Å; E282-R300 IonicContact OE2-NH2 3.12Å; E282-R300 PolarHBondContact OE2-NH2 3.47Å; E282-M304 HydrophobicContact CB-CE 4.04Å; E282-M304 HydrophobicContact CB-CG 4.43Å; E282-M304 HydrophobicContact CB-SD 4.28Å; E282-K307 IonicContact OE1-NZ 3.61Å
283L81.2Confident80.4Confident79 Ų7984.9 Ų84.941%0.41442%0.419SS..Hα-helixtrans-63.9-37.1174.6-85.1176.1000112.2I279 R280 F281 K287 M304I279-L283 HydrophobicContact CG2-CD1 4.25Å; I279-L283 WeakPolarHBondContact O-CB 3.32Å; I279-L283 WeakPolarHBondContact O-CG 3.32Å; I279-L283 PolarHBondContact O-N 3.48Å; R280-L283 PolarHBondContact O-N 2.96Å; F281-L283 PolarHBondContact O-N 3.41Å; L283-K287 WeakPolarHBondContact O-CG 3.5Å; L283-K287 PolarHBondContact O-N 2.84Å; L283-M304 HydrophobicContact CB-CE 4.13Å; L283-M304 HydrophobicContact CD2-CE 3.36Å; L283-M304 HydrophobicContact CD2-SD 4.28Å; L283-M304 HydrophobicContact CG-CE 3.35Å
284Q79.4Confident80.5Confident101 Ų10191.4 Ų91.447%0.47244%0.44SS..Hα-helixtrans-71.2-39176-74.5-177.33.700111.2R280 F281 E282 K287 R288R280-Q284 WeakPolarHBondContact O-CG 3.25Å; R280-Q284 PolarHBondContact O-N 3.46Å; F281-Q284 WeakPolarHBondContact O-CB 3.43Å; F281-Q284 PolarHBondContact O-N 3.24Å; F281-Q284 VanDerWaalsContact O-N 3.13Å; E282-Q284 VanDerWaalsContact C-N 3.32Å; E282-Q284 PolarHBondContact O-N 3.2Å; Q284-K287 PolarHBondContact O-N 3.11Å; Q284-R288 WeakPolarHBondContact O-CG 3.44Å; Q284-R288 PolarHBondContact O-N 2.85Å
285E81.5Confident80.5Confident70 Ų7093.5 Ų93.533%0.32745%0.447SS..Hα-helixtrans-66.5-42.9177.5-164.659.9-163.200111.1F281 E282 K287 R288 T289F281-E285 WeakPolarHBondContact O-CB 3.06Å; F281-E285 PolarHBondContact O-N 3.18Å; E282-E285 PolarHBondContact O-N 3.5Å; E285-K287 PolarHBondContact O-N 3.45Å; E285-R288 PolarHBondContact O-N 2.77Å; E285-T289 HydrophobicContact CG-CG2 3.91Å; E285-T289 WeakPolarHBondContact O-CB 3.38Å; E285-T289 WeakPolarHBondContact O-CG2 3.33Å; E285-T289 PolarHBondContact O-N 3.19Å; E285-T289 PolarHBondContact O-OG1 2.79Å; E285-T289 WeakPolarHBondContact OE1-CG2 3.41Å
286L81.2Confident80.4Confident27 Ų2794.6 Ų94.614%0.14146%0.456CS..Hα-helixtrans-64.2-25.2176.4-163.3132.7000113.1E282 T289 F291 Y297 R300 L301 M304E282-L286 WeakPolarHBondContact O-CB 3.27Å; E282-L286 PolarHBondContact O-N 2.92Å; L286-T289 WeakPolarHBondContact CA-OG1 3.42Å; L286-F291 HydrophobicContact CD1-CZ 4.25Å; L286-F291 HydrophobicContact CG-CE2 4.11Å; L286-F291 HydrophobicContact CG-CZ 4.1Å; L286-Y297 HydrophobicContact CD1-CE2 4.37Å; L286-Y297 HydrophobicContact CD2-CE2 3.78Å; L286-Y297 HydrophobicContact CG-CE2 4.12Å; L286-R300 HydrophobicContact CD1-CB 4.2Å; L286-R300 HydrophobicContact CD1-CG 3.76Å; L286-L301 HydrophobicContact CD1-CD2 3.93Å; L286-L301 HydrophobicContact CD1-CG 4.43Å; L286-L301 HydrophobicContact CD2-CD2 4.1Å; L286-M304 HydrophobicContact CB-SD 4.23Å; L286-M304 HydrophobicContact CD1-SD 3.67Å; L286-M304 HydrophobicContact CG-SD 4.47Å
287K77.2Confident80.5Confident180 Ų18098.3 Ų98.378%0.78347%0.47SS*.Hα-helixtrans-78.2-25.4172.8-77.1176.9180-178.60113.6L283 Q284 E285L283-K287 WeakPolarHBondContact O-CG 3.5Å; L283-K287 PolarHBondContact O-N 2.84Å; Q284-K287 PolarHBondContact O-N 3.11Å; E285-K287 PolarHBondContact O-N 3.45Å
288R77Confident80.5Confident179 Ų17996.9 Ų96.968%0.67546%0.461SS*.Hα-helixtrans-96.7-31-176.8-72.3-179.8178.1146.5-0.1112.5Q284 E285Q284-R288 WeakPolarHBondContact O-CG 3.44Å; Q284-R288 PolarHBondContact O-N 2.85Å; E285-R288 PolarHBondContact O-N 2.77Å
289T80.1Confident80.5Confident48 Ų4896.7 Ų96.729%0.29447%0.469SS..  trans-76128.9-175.944.30000111E285 L286 F291E285-T289 HydrophobicContact CG-CG2 3.91Å; E285-T289 WeakPolarHBondContact O-CB 3.38Å; E285-T289 WeakPolarHBondContact O-CG2 3.33Å; E285-T289 PolarHBondContact O-N 3.19Å; E285-T289 PolarHBondContact O-OG1 2.79Å; E285-T289 WeakPolarHBondContact OE1-CG2 3.41Å; L286-T289 WeakPolarHBondContact CA-OG1 3.42Å; T289-F291 WeakPolarHBondContact O-CD2 3.21Å; T289-F291 WeakPolarHBondContact OG1-CE2 3.38Å; T289-F291 WeakPolarHBondContact OG1-CZ 3.45Å
290V75Confident80.6Confident141 Ų141100.2 Ų100.286%0.85548%0.482SS*.  trans-91.2114.2167.4-1790000106.5
291F77.1Confident80.7Confident55 Ų5597.7 Ų97.724%0.24148%0.477CS..  trans-83.6127.5-179.1-65.6-91.9000109.7L286 T289 Y297 R300L286-F291 HydrophobicContact CD1-CZ 4.25Å; L286-F291 HydrophobicContact CG-CE2 4.11Å; L286-F291 HydrophobicContact CG-CZ 4.1Å; T289-F291 WeakPolarHBondContact O-CD2 3.21Å; T289-F291 WeakPolarHBondContact OG1-CE2 3.38Å; T289-F291 WeakPolarHBondContact OG1-CZ 3.45Å; F291-Y297 HydrophobicContact CD1-CD2 4.41Å; F291-Y297 AromaticContact CD2-CD2 3.42Å; F291-Y297 HydrophobicContact CD2-CD2 3.42Å; F291-Y297 VanDerWaalsContact CD2-CD2 3.42Å; F291-Y297 HydrophobicContact CD2-CE2 4.15Å; F291-Y297 HydrophobicContact CD2-CG 4.29Å; F291-Y297 HydrophobicContact CE1-CD2 4.5Å; F291-Y297 AromaticContact CE2-CD2 3.54Å; F291-Y297 HydrophobicContact CE2-CD2 3.54Å; F291-Y297 HydrophobicContact CE2-CE2 4.02Å; F291-Y297 AromaticContact CG-CD2 3.88Å; F291-Y297 HydrophobicContact CG-CD2 3.88Å; F291-Y297 HydrophobicContact CG-CG 4.38Å; F291-Y297 HydrophobicContact CZ-CD2 4.09Å; F291-R300 HydrophobicContact CE1-CB 4.07Å; F291-R300 HydrophobicContact CE1-CG 4.27Å; F291-R300 HydrophobicContact CZ-CB 4.38Å; F291-R300 HydrophobicContact CZ-CG 4.28Å
292P72.8Confident80.7Confident116 Ų11695.8 Ų95.875%0.75348%0.475SS*.SBendtrans-69.2-36.118026-32.1000111.7
293D82.5Confident80.9Confident110 Ų11099.7 Ų99.759%0.58849%0.49SS*.SBendtrans-127.9143.4-175.8-69.5-41.1000112.4E295 S296 Y297D293-E295 PolarHBondContact O-N 3.01Å; D293-S296 PolarHBondContact O-N 2.77Å; D293-S296 VanDerWaalsContact O-N 3.13Å; D293-S296 PolarHBondContact O-OG 3.1Å; D293-Y297 PolarHBondContact O-N 2.76Å
294R79.7Confident81.1Confident209 Ų20996.4 Ų96.479%0.78947%0.472SS*.Hα-helixtrans-56.8-37.5177-178.9179.3175.1-178.2-0.3112.4S296 Y297 V298R294-S296 VanDerWaalsContact C-N 3.32Å; R294-S296 PolarHBondContact O-N 2.87Å; R294-Y297 PolarHBondContact O-N 2.99Å; R294-V298 HydrophobicContact CG-CG2 4.28Å; R294-V298 WeakPolarHBondContact O-CG2 3.17Å; R294-V298 PolarHBondContact O-N 2.91Å
295E82.7Confident81.3Confident158 Ų15895.5 Ų95.574%0.73847%0.468SS*.Hα-helixtrans-65.1-36.9180-68.5-176.6175.100112D293 V298 S299D293-E295 PolarHBondContact O-N 3.01Å; E295-V298 PolarHBondContact O-N 3.3Å; E295-S299 WeakPolarHBondContact O-CB 3.44Å; E295-S299 PolarHBondContact O-N 3.21Å; E295-S299 PolarHBondContact O-OG 2.94Å
296S81.5Confident81.4Confident46 Ų4695.1 Ų95.132%0.32247%0.473SS..Hα-helixtrans-65.9-40.6175.5740000111.8D293 R294 R300D293-S296 PolarHBondContact O-N 2.77Å; D293-S296 VanDerWaalsContact O-N 3.13Å; D293-S296 PolarHBondContact O-OG 3.1Å; R294-S296 VanDerWaalsContact C-N 3.32Å; R294-S296 PolarHBondContact O-N 2.87Å; S296-R300 PolarHBondContact O-N 3.48Å
297Y83Confident81.6Confident93 Ų9394.7 Ų94.737%0.36547%0.47SS..Hα-helixtrans-65.9-46.2176.1-178.4-113.8000112.1L286 F291 D293 R294 R300 L301L286-Y297 HydrophobicContact CD1-CE2 4.37Å; L286-Y297 HydrophobicContact CD2-CE2 3.78Å; L286-Y297 HydrophobicContact CG-CE2 4.12Å; F291-Y297 HydrophobicContact CD1-CD2 4.41Å; F291-Y297 AromaticContact CD2-CD2 3.42Å; F291-Y297 HydrophobicContact CD2-CD2 3.42Å; F291-Y297 VanDerWaalsContact CD2-CD2 3.42Å; F291-Y297 HydrophobicContact CD2-CE2 4.15Å; F291-Y297 HydrophobicContact CD2-CG 4.29Å; F291-Y297 HydrophobicContact CE1-CD2 4.5Å; F291-Y297 AromaticContact CE2-CD2 3.54Å; F291-Y297 HydrophobicContact CE2-CD2 3.54Å; F291-Y297 HydrophobicContact CE2-CE2 4.02Å; F291-Y297 AromaticContact CG-CD2 3.88Å; F291-Y297 HydrophobicContact CG-CD2 3.88Å; F291-Y297 HydrophobicContact CG-CG 4.38Å; F291-Y297 HydrophobicContact CZ-CD2 4.09Å; D293-Y297 PolarHBondContact O-N 2.76Å; R294-Y297 PolarHBondContact O-N 2.99Å; Y297-R300 PolarHBondContact O-N 3.26Å; Y297-L301 HydrophobicContact CD1-CD1 3.89Å; Y297-L301 HydrophobicContact CE1-CD1 3.36Å; Y297-L301 HydrophobicContact CE1-CG 4.16Å; Y297-L301 HydrophobicContact CE2-CD1 4.39Å; Y297-L301 HydrophobicContact CE2-CG 4.36Å; Y297-L301 WeakPolarHBondContact O-CG 3.48Å; Y297-L301 PolarHBondContact O-N 3.13Å
298V83.6Confident81.9Confident68 Ų6890.3 Ų90.341%0.41245%0.454SS..Hα-helixtrans-62.5-45.9177.6172.20000110.6R294 E295 R300 L301 T302R294-V298 HydrophobicContact CG-CG2 4.28Å; R294-V298 WeakPolarHBondContact O-CG2 3.17Å; R294-V298 PolarHBondContact O-N 2.91Å; E295-V298 PolarHBondContact O-N 3.3Å; V298-R300 VanDerWaalsContact C-N 3.26Å; V298-R300 PolarHBondContact O-N 3.3Å; V298-L301 PolarHBondContact O-N 2.78Å; V298-L301 VanDerWaalsContact O-N 3.12Å; V298-T302 PolarHBondContact O-N 2.84Å; V298-T302 PolarHBondContact O-OG1 2.64Å
299S84.6Confident82.2Confident78 Ų7886.2 Ų86.255%0.54544%0.442SS..Hα-helixtrans-58.9-39.5177.7-58.60000111.8E295 T302 Y303E295-S299 WeakPolarHBondContact O-CB 3.44Å; E295-S299 PolarHBondContact O-N 3.21Å; E295-S299 PolarHBondContact O-OG 2.94Å; S299-T302 PolarHBondContact O-N 3.32Å; S299-Y303 WeakPolarHBondContact O-CB 3.41Å; S299-Y303 PolarHBondContact O-N 2.91Å
300R83.9Confident82.3Confident87 Ų8785.8 Ų85.833%0.32844%0.444SS..Hα-helixtrans-68.3-40.5176.1-163.362.7167.8-165.5-6.5112.1E282 L286 F291 S296 Y297 V298 Y303 M304E282-R300 IonicContact OE1-CZ 3.11Å; E282-R300 IonicContact OE1-NH2 2.85Å; E282-R300 PolarHBondContact OE1-NH2 3.31Å; E282-R300 IonicContact OE2-CZ 3.41Å; E282-R300 IonicContact OE2-NE 3.23Å; E282-R300 PolarHBondContact OE2-NE 3.28Å; E282-R300 VanDerWaalsContact OE2-NE 3.11Å; E282-R300 IonicContact OE2-NH2 3.12Å; E282-R300 PolarHBondContact OE2-NH2 3.47Å; L286-R300 HydrophobicContact CD1-CB 4.2Å; L286-R300 HydrophobicContact CD1-CG 3.76Å; F291-R300 HydrophobicContact CE1-CB 4.07Å; F291-R300 HydrophobicContact CE1-CG 4.27Å; F291-R300 HydrophobicContact CZ-CB 4.38Å; F291-R300 HydrophobicContact CZ-CG 4.28Å; S296-R300 PolarHBondContact O-N 3.48Å; Y297-R300 PolarHBondContact O-N 3.26Å; V298-R300 VanDerWaalsContact C-N 3.26Å; V298-R300 PolarHBondContact O-N 3.3Å; R300-Y303 PolarHBondContact O-N 3.48Å; R300-M304 WeakPolarHBondContact O-CG 3.48Å; R300-M304 PolarHBondContact O-N 2.86Å
301L84.8Confident82.6Confident69 Ų6980.3 Ų80.336%0.36141%0.408SS..Hα-helixtrans-63-43.2174.4-75.2178.5000112.3L286 Y297 V298 Y303 M304 Q305L286-L301 HydrophobicContact CD1-CD2 3.93Å; L286-L301 HydrophobicContact CD1-CG 4.43Å; L286-L301 HydrophobicContact CD2-CD2 4.1Å; Y297-L301 HydrophobicContact CD1-CD1 3.89Å; Y297-L301 HydrophobicContact CE1-CD1 3.36Å; Y297-L301 HydrophobicContact CE1-CG 4.16Å; Y297-L301 HydrophobicContact CE2-CD1 4.39Å; Y297-L301 HydrophobicContact CE2-CG 4.36Å; Y297-L301 WeakPolarHBondContact O-CG 3.48Å; Y297-L301 PolarHBondContact O-N 3.13Å; V298-L301 PolarHBondContact O-N 2.78Å; V298-L301 VanDerWaalsContact O-N 3.12Å; L301-Y303 VanDerWaalsContact C-N 3.33Å; L301-Y303 PolarHBondContact O-N 3.13Å; L301-M304 WeakPolarHBondContact O-CB 3.35Å; L301-M304 PolarHBondContact O-N 2.7Å; L301-Q305 WeakPolarHBondContact O-CB 3.33Å; L301-Q305 PolarHBondContact O-N 2.88Å
302T84.5Confident82.8Confident81 Ų8183.2 Ų83.250%0.49742%0.422SS..Hα-helixtrans-63-41.3176.7-520000111.2V298 S299 Q305 S306V298-T302 PolarHBondContact O-N 2.84Å; V298-T302 PolarHBondContact O-OG1 2.64Å; S299-T302 PolarHBondContact O-N 3.32Å; T302-Q305 WeakPolarHBondContact O-CB 3.23Å; T302-Q305 PolarHBondContact O-N 2.63Å; T302-S306 PolarHBondContact O-N 2.79Å
303Y86.3Confident83.2Confident98 Ų9882.5 Ų82.538%0.38441%0.412SS..Hα-helixtrans-63.6-38.8173.8177.4-104.7000112.8S299 R300 L301 S306 K307S299-Y303 WeakPolarHBondContact O-CB 3.41Å; S299-Y303 PolarHBondContact O-N 2.91Å; R300-Y303 PolarHBondContact O-N 3.48Å; L301-Y303 VanDerWaalsContact C-N 3.33Å; L301-Y303 PolarHBondContact O-N 3.13Å; Y303-S306 PolarHBondContact O-OG 3.32Å; Y303-K307 HydrophobicContact CD1-CD 4.37Å; Y303-K307 HydrophobicContact CE1-CD 3.77Å; Y303-K307 VanDerWaalsContact CE1-NZ 3.29Å; Y303-K307 VanDerWaalsContact CZ-CE 3.45Å; Y303-K307 PolarHBondContact O-N 3.25Å; Y303-K307 VanDerWaalsContact O-N 3.16Å; Y303-K307 WeakPolarHBondContact OH-CE 3.45Å; Y303-K307 PolarHBondContact OH-NZ 3.47Å
304M84.5Confident83.2Confident10 Ų1080.1 Ų80.15%0.04940%0.397CS..Hα-helixtrans-67.2-39.3174.1-76.9-16068.900112.3E282 L283 L286 R300 L301 K307 M308E282-M304 HydrophobicContact CB-CE 4.04Å; E282-M304 HydrophobicContact CB-CG 4.43Å; E282-M304 HydrophobicContact CB-SD 4.28Å; L283-M304 HydrophobicContact CB-CE 4.13Å; L283-M304 HydrophobicContact CD2-CE 3.36Å; L283-M304 HydrophobicContact CD2-SD 4.28Å; L283-M304 HydrophobicContact CG-CE 3.35Å; L286-M304 HydrophobicContact CB-SD 4.23Å; L286-M304 HydrophobicContact CD1-SD 3.67Å; L286-M304 HydrophobicContact CG-SD 4.47Å; R300-M304 WeakPolarHBondContact O-CG 3.48Å; R300-M304 PolarHBondContact O-N 2.86Å; L301-M304 WeakPolarHBondContact O-CB 3.35Å; L301-M304 PolarHBondContact O-N 2.7Å; M304-K307 PolarHBondContact O-N 2.7Å; M304-M308 WeakPolarHBondContact O-CG 3.16Å; M304-M308 PolarHBondContact O-N 2.78Å
305Q83.5Confident83.2Confident83 Ų8371.3 Ų71.339%0.38837%0.365SS..Hα-helixtrans-61-47.2176-177-178.7-22.300110.8L301 T302 K307 M308 E309L301-Q305 WeakPolarHBondContact O-CB 3.33Å; L301-Q305 PolarHBondContact O-N 2.88Å; T302-Q305 WeakPolarHBondContact O-CB 3.23Å; T302-Q305 PolarHBondContact O-N 2.63Å; Q305-K307 VanDerWaalsContact C-N 3.31Å; Q305-K307 PolarHBondContact O-N 3.23Å; Q305-M308 PolarHBondContact O-N 2.85Å; Q305-M308 VanDerWaalsContact O-N 3.1Å; Q305-E309 HydrophobicContact CG-CG 4.49Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.24Å; Q305-E309 PolarHBondContact NE2-OE1 3.49Å; Q305-E309 WeakPolarHBondContact O-CG 3.39Å; Q305-E309 PolarHBondContact O-N 3.2Å
306S84.5Confident83Confident61 Ų6166.8 Ų66.843%0.42735%0.345SS..Hα-helixtrans-62.7-36.8178.669.80000112.6T302 Y303 E309 A310T302-S306 PolarHBondContact O-N 2.79Å; Y303-S306 PolarHBondContact O-OG 3.32Å; S306-E309 PolarHBondContact O-N 2.97Å; S306-A310 WeakPolarHBondContact O-CB 3.22Å; S306-A310 PolarHBondContact O-N 3.09Å
307K85.6Confident82.8Confident19 Ų1968.3 Ų68.38%0.08335%0.349CS..Hα-helixtrans-63.6-42.5171.6-85.1-179.9159.7170.40112.7E278 I279 E282 Y303 M304 Q305 A310 F311E278-K307 VanDerWaalsContact CD-CE 3.42Å; E278-K307 VanDerWaalsContact OE1-CE 3.24Å; E278-K307 WeakPolarHBondContact OE1-CE 3.34Å; E278-K307 IonicContact OE1-NZ 3.1Å; E278-K307 PolarHBondContact OE1-NZ 2.74Å; E278-K307 IonicContact OE2-NZ 3.32Å; I279-K307 HydrophobicContact CG1-CB 4.15Å; E282-K307 IonicContact OE1-NZ 3.61Å; Y303-K307 HydrophobicContact CD1-CD 4.37Å; Y303-K307 HydrophobicContact CE1-CD 3.77Å; Y303-K307 VanDerWaalsContact CE1-NZ 3.29Å; Y303-K307 VanDerWaalsContact CZ-CE 3.45Å; Y303-K307 PolarHBondContact O-N 3.25Å; Y303-K307 VanDerWaalsContact O-N 3.16Å; Y303-K307 WeakPolarHBondContact OH-CE 3.45Å; Y303-K307 PolarHBondContact OH-NZ 3.47Å; M304-K307 PolarHBondContact O-N 2.7Å; Q305-K307 VanDerWaalsContact C-N 3.31Å; Q305-K307 PolarHBondContact O-N 3.23Å; K307-A310 PolarHBondContact O-N 3.17Å; K307-F311 PolarHBondContact O-N 2.72Å
308M82.7Confident82.4Confident88 Ų8864.7 Ų64.743%0.43334%0.339SS..Hα-helixtrans-66.9-37.5176.8-74.1-176.564.400112.3I279 M304 Q305 F311 Q312I279-M308 HydrophobicContact CD1-CG 4.3Å; I279-M308 HydrophobicContact CG2-CG 4.26Å; M304-M308 WeakPolarHBondContact O-CG 3.16Å; M304-M308 PolarHBondContact O-N 2.78Å; Q305-M308 PolarHBondContact O-N 2.85Å; Q305-M308 VanDerWaalsContact O-N 3.1Å; M308-F311 WeakPolarHBondContact O-CB 3.47Å; M308-F311 PolarHBondContact O-N 2.76Å; M308-Q312 WeakPolarHBondContact O-CG 3.35Å; M308-Q312 PolarHBondContact O-N 3.1Å
309E82.9Confident81.9Confident93 Ų9365.2 Ų65.244%0.43534%0.336SS..Hα-helixtrans-64.8-46.7173.8-73171.1-175.800110.5Q305 S306 F311 Q312 D313Q305-E309 HydrophobicContact CG-CG 4.49Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.24Å; Q305-E309 PolarHBondContact NE2-OE1 3.49Å; Q305-E309 WeakPolarHBondContact O-CG 3.39Å; Q305-E309 PolarHBondContact O-N 3.2Å; S306-E309 PolarHBondContact O-N 2.97Å; E309-F311 VanDerWaalsContact C-N 3.28Å; E309-F311 PolarHBondContact O-N 2.91Å; E309-Q312 PolarHBondContact O-N 2.8Å; E309-D313 PolarHBondContact O-N 2.77Å
310A82.3Confident81.4Confident39 Ų3969 Ų6932%0.32234%0.338SS..Hα-helixtrans-59.1-37.6174.500000112.7S306 K307 K314S306-A310 WeakPolarHBondContact O-CB 3.22Å; S306-A310 PolarHBondContact O-N 3.09Å; K307-A310 PolarHBondContact O-N 3.17Å; A310-K314 WeakPolarHBondContact O-CB 3.14Å; A310-K314 WeakPolarHBondContact O-CG 3.06Å; A310-K314 PolarHBondContact O-N 3.44Å
311F81.9Confident80.7Confident25 Ų2565.7 Ų65.711%0.1133%0.329CS..Hα-helixtrans-61-48.3172.3-178-108.6000111.8L272 L275 L276 I279 K307 M308 E309 K314 L315L272-F311 HydrophobicContact CB-CE2 4.5Å; L272-F311 HydrophobicContact CD2-CD2 4.31Å; L272-F311 HydrophobicContact CD2-CE2 3.4Å; L272-F311 VanDerWaalsContact CD2-CE2 3.4Å; L272-F311 HydrophobicContact CD2-CZ 3.78Å; L272-F311 HydrophobicContact CG-CD2 4.04Å; L272-F311 HydrophobicContact CG-CE2 3.52Å; L272-F311 HydrophobicContact CG-CZ 4.38Å; L275-F311 HydrophobicContact CD2-CB 3.31Å; L275-F311 HydrophobicContact CD2-CD2 3.66Å; L275-F311 HydrophobicContact CD2-CG 3.92Å; L276-F311 HydrophobicContact CD1-CE2 3.53Å; L276-F311 HydrophobicContact CD1-CZ 3.49Å; L276-F311 VanDerWaalsContact CD1-CZ 3.49Å; L276-F311 HydrophobicContact CD2-CD2 4.44Å; L276-F311 HydrophobicContact CD2-CE1 4.15Å; L276-F311 HydrophobicContact CD2-CE2 3.94Å; L276-F311 HydrophobicContact CD2-CZ 3.78Å; L276-F311 HydrophobicContact CG-CD2 4Å; L276-F311 HydrophobicContact CG-CE1 4.4Å; L276-F311 HydrophobicContact CG-CE2 3.33Å; L276-F311 HydrophobicContact CG-CZ 3.58Å; I279-F311 HydrophobicContact CD1-CB 3.88Å; I279-F311 HydrophobicContact CD1-CG 4.31Å; K307-F311 PolarHBondContact O-N 2.72Å; M308-F311 WeakPolarHBondContact O-CB 3.47Å; M308-F311 PolarHBondContact O-N 2.76Å; E309-F311 VanDerWaalsContact C-N 3.28Å; E309-F311 PolarHBondContact O-N 2.91Å; F311-K314 PolarHBondContact O-N 2.69Å; F311-L315 HydrophobicContact CE1-CD1 3.96Å; F311-L315 HydrophobicContact CZ-CD1 3.78Å; F311-L315 VanDerWaalsContact O-CB 3.25Å; F311-L315 WeakPolarHBondContact O-CB 3.04Å; F311-L315 PolarHBondContact O-N 2.9Å
312Q81.1Confident79.8Confident116 Ų11667.4 Ų67.454%0.54233%0.331SS..Hα-helixtrans-63.6-43-179.1-74.1-178.34.800111.3M308 E309 L315 M316M308-Q312 WeakPolarHBondContact O-CG 3.35Å; M308-Q312 PolarHBondContact O-N 3.1Å; E309-Q312 PolarHBondContact O-N 2.8Å; Q312-L315 PolarHBondContact O-N 3.35Å; Q312-M316 WeakPolarHBondContact O-CB 3.45Å; Q312-M316 VanDerWaalsContact O-CG 3.24Å; Q312-M316 WeakPolarHBondContact O-CG 3.05Å; Q312-M316 PolarHBondContact O-N 3.32Å
313D81.3Confident78.9Confident101 Ų10172.5 Ų72.554%0.5435%0.346SS..Hα-helixtrans-63.6-46.3177.6-73.7-18.4000111.5E309 L315 M316 N317E309-D313 PolarHBondContact O-N 2.77Å; D313-L315 VanDerWaalsContact C-N 3.33Å; D313-L315 PolarHBondContact O-N 3.22Å; D313-M316 PolarHBondContact O-N 2.78Å; D313-N317 WeakPolarHBondContact O-CB 3.3Å; D313-N317 VanDerWaalsContact O-CG 3.28Å; D313-N317 PolarHBondContact O-N 3.07Å; D313-N317 PolarHBondContact O-ND2 2.8Å
314K82.6Confident77.6Confident61 Ų6174.4 Ų74.427%0.26536%0.362SS..Hα-helixtrans-61.9-40.4174.9-73.5-171176.8-158.20112P267 E271 L272 A310 F311 N317 A318P267-K314 HydrophobicContact CB-CB 4.4Å; P267-K314 HydrophobicContact CB-CD 4.26Å; P267-K314 HydrophobicContact CB-CG 4.3Å; P267-K314 HydrophobicContact CG-CB 4.39Å; E271-K314 IonicContact OE2-NZ 3.65Å; E271-K314 PolarHBondContact OE2-NZ 2.77Å; L272-K314 HydrophobicContact CD1-CB 3.57Å; A310-K314 WeakPolarHBondContact O-CB 3.14Å; A310-K314 WeakPolarHBondContact O-CG 3.06Å; A310-K314 PolarHBondContact O-N 3.44Å; F311-K314 PolarHBondContact O-N 2.69Å; K314-N317 PolarHBondContact O-N 2.79Å; K314-A318 WeakPolarHBondContact O-CB 3Å; K314-A318 PolarHBondContact O-N 3.39Å
315L79.1Confident76.4Confident23 Ų2380.6 Ų80.612%0.1239%0.386CS..Hα-helixtrans-67.4-38.2178.1-176.4130.6000111.7L272 F311 Q312 D313 A318 K319 V339L272-L315 HydrophobicContact CD2-CB 4.25Å; L272-L315 HydrophobicContact CD2-CD1 3.86Å; L272-L315 HydrophobicContact CD2-CG 4.46Å; F311-L315 HydrophobicContact CE1-CD1 3.96Å; F311-L315 HydrophobicContact CZ-CD1 3.78Å; F311-L315 VanDerWaalsContact O-CB 3.25Å; F311-L315 WeakPolarHBondContact O-CB 3.04Å; F311-L315 PolarHBondContact O-N 2.9Å; Q312-L315 PolarHBondContact O-N 3.35Å; D313-L315 VanDerWaalsContact C-N 3.33Å; D313-L315 PolarHBondContact O-N 3.22Å; L315-A318 PolarHBondContact O-N 3.21Å; L315-K319 HydrophobicContact CD2-CD 4.16Å; L315-K319 WeakPolarHBondContact O-CB 3.43Å; L315-K319 WeakPolarHBondContact O-CG 3.42Å; L315-K319 PolarHBondContact O-N 2.86Å; L315-V339 HydrophobicContact CD1-CG2 4.03Å
316M77.7Confident75.2Confident64 Ų6485 Ų8532%0.31541%0.412SS..Hα-helixtrans-68.2-40.8174.9-73.4-62.3-7200111.7P220 Q312 D313 K319 R320P220-M316 HydrophobicContact CG-CE 3.94Å; P220-M316 HydrophobicContact CG-SD 4.01Å; Q312-M316 WeakPolarHBondContact O-CB 3.45Å; Q312-M316 VanDerWaalsContact O-CG 3.24Å; Q312-M316 WeakPolarHBondContact O-CG 3.05Å; Q312-M316 PolarHBondContact O-N 3.32Å; D313-M316 PolarHBondContact O-N 2.78Å; M316-K319 PolarHBondContact O-N 2.87Å; M316-R320 WeakPolarHBondContact O-CB 3.46Å; M316-R320 WeakPolarHBondContact O-CG 3.17Å; M316-R320 PolarHBondContact O-N 2.84Å
317N78Confident73.9Confident77 Ų7786 Ų8641%0.41242%0.415SS..Hα-helixtrans-64.6-41.6174.4-72.2-19.4000111.5D313 K314 R320 A321D313-N317 WeakPolarHBondContact O-CB 3.3Å; D313-N317 VanDerWaalsContact O-CG 3.28Å; D313-N317 PolarHBondContact O-N 3.07Å; D313-N317 PolarHBondContact O-ND2 2.8Å; K314-N317 PolarHBondContact O-N 2.79Å; N317-R320 PolarHBondContact O-N 2.89Å; N317-A321 WeakPolarHBondContact O-CB 3.19Å; N317-A321 PolarHBondContact O-N 3.46Å
318A74.1Confident72.7Confident18 Ų1889 Ų8915%0.14944%0.438CS..Hα-helixtrans-63.2-41.2173.700000112.3K314 L315 A321 R322 L335K314-A318 WeakPolarHBondContact O-CB 3Å; K314-A318 PolarHBondContact O-N 3.39Å; L315-A318 PolarHBondContact O-N 3.21Å; A318-A321 PolarHBondContact O-N 2.85Å; A318-R322 PolarHBondContact O-N 3.02Å; A318-L335 HydrophobicContact CB-CD1 3.9Å
319K73.8Confident71.8Confident79 Ų7989.9 Ų89.934%0.34345%0.445SS..Hα-helixtrans-65.6-37.7173.9-78.6-176.3176.2-177.90112.7L315 M316 R322 K323 L335L315-K319 HydrophobicContact CD2-CD 4.16Å; L315-K319 WeakPolarHBondContact O-CB 3.43Å; L315-K319 WeakPolarHBondContact O-CG 3.42Å; L315-K319 PolarHBondContact O-N 2.86Å; M316-K319 PolarHBondContact O-N 2.87Å; K319-R322 PolarHBondContact O-N 2.79Å; K319-K323 PolarHBondContact O-N 3.48Å; K319-L335 HydrophobicContact CG-CD2 4.07Å
320R74Confident71.1Confident158 Ų15889.3 Ų89.360%0.59644%0.442SS*.Hα-helixtrans-67.2-42.5174.7-77178.8-177.9171.41.2111.4M316 N317 R322 K323 L324M316-R320 WeakPolarHBondContact O-CB 3.46Å; M316-R320 WeakPolarHBondContact O-CG 3.17Å; M316-R320 PolarHBondContact O-N 2.84Å; N317-R320 PolarHBondContact O-N 2.89Å; R320-R322 VanDerWaalsContact C-N 3.3Å; R320-R322 PolarHBondContact O-N 3.15Å; R320-K323 WeakPolarHBondContact O-CB 3.33Å; R320-K323 PolarHBondContact O-N 3.35Å; R320-L324 PolarHBondContact O-N 3.49Å
321A69.3Low70.2Confident17 Ų1788.9 Ų88.914%0.1444%0.439CS..Hα-helixtrans-59.1-4117500000112.4L266 N317 A318 K323 L324 Y325L266-A321 HydrophobicContact CD2-CB 3.17Å; N317-A321 WeakPolarHBondContact O-CB 3.19Å; N317-A321 PolarHBondContact O-N 3.46Å; A318-A321 PolarHBondContact O-N 2.85Å; A321-K323 VanDerWaalsContact C-N 3.26Å; A321-K323 PolarHBondContact O-N 2.73Å; A321-L324 PolarHBondContact O-N 3Å; A321-L324 VanDerWaalsContact O-N 3.13Å; A321-Y325 PolarHBondContact O-N 3.03Å
322R65.2Low69.3Low104 Ų10488.1 Ų88.139%0.39244%0.438SS..Hα-helixtrans-60.7-30.9173.7-175.4179.7176.3-177.5-1.7113.2A318 K319 R320 Y325 E336A318-R322 PolarHBondContact O-N 3.02Å; K319-R322 PolarHBondContact O-N 2.79Å; R320-R322 VanDerWaalsContact C-N 3.3Å; R320-R322 PolarHBondContact O-N 3.15Å; R322-Y325 VanDerWaalsContact O-O 3.05Å; R322-E336 IonicContact CZ-OE1 2.8Å; R322-E336 VanDerWaalsContact CZ-OE1 3.31Å; R322-E336 IonicContact NH1-OE1 3.79Å; R322-E336 PolarHBondContact NH1-OE1 3.21Å; R322-E336 IonicContact NH2-OE1 3.97Å; R322-E336 PolarHBondContact NH2-OE1 3.07Å
323K65.5Low68.6Low189 Ų18989.1 Ų89.182%0.82244%0.436SS*.Hα-helixtrans-76.6-26176.2-74-172.9177-173.70113K319 R320 A321K319-K323 PolarHBondContact O-N 3.48Å; R320-K323 WeakPolarHBondContact O-CB 3.33Å; R320-K323 PolarHBondContact O-N 3.35Å; A321-K323 VanDerWaalsContact C-N 3.26Å; A321-K323 PolarHBondContact O-N 2.73Å
324L59.5Low68Low137 Ų13790.6 Ų90.672%0.71743%0.434SS*.Hα-helixtrans-93-31.4-176-72.5167.1000112.8R320 A321R320-L324 PolarHBondContact O-N 3.49Å; A321-L324 PolarHBondContact O-N 3Å; A321-L324 VanDerWaalsContact O-N 3.13Å
325Y59.5Low67.2Low141 Ų14188.2 Ų88.255%0.55342%0.424SS*.SBendtrans-121.9125.2179.5-63.9-85.4000107.9A321 R322 V327A321-Y325 PolarHBondContact O-N 3.03Å; R322-Y325 VanDerWaalsContact O-O 3.05Å; Y325-V327 VanDerWaalsContact CB-CG2 3.49Å; Y325-V327 WeakPolarHBondContact O-CG2 3.29Å; Y325-V327 PolarHBondContact O-N 3.16Å
326N57.6Low66.7Low176 Ų17691.3 Ų91.394%0.94144%0.438SS*.  trans-66.464.2169.6-80.5-21.1000109.9
327V58.6Low66.4Low81 Ų8191 Ų9149%0.49145%0.446SS..  trans-74.4135-174.9-178.70000109.6Y325 A331Y325-V327 VanDerWaalsContact CB-CG2 3.49Å; Y325-V327 WeakPolarHBondContact O-CG2 3.29Å; Y325-V327 PolarHBondContact O-N 3.16Å; V327-A331 HydrophobicContact CG1-CB 4.3Å
328S60.4Low65.8Low81 Ų8188.2 Ų88.257%0.56643%0.431SS*.  trans-19.9128.8174.4-177.40000116.1E330 A331 A332S328-E330 PolarHBondContact O-N 2.81Å; S328-A331 PolarHBondContact O-N 2.74Å; S328-A332 PolarHBondContact O-N 2.65Å
329D62.4Low65.4Low107 Ų10789 Ų8957%0.57243%0.434SS*.Hα-helixtrans-50.5-29.6-178.4-156.640.3000113.9R333D329-R333 WeakPolarHBondContact O-CG 3.41Å; D329-R333 PolarHBondContact O-N 3.28Å; D329-R333 VanDerWaalsContact O-N 3.13Å; D329-R333 IonicContact OD2-CZ 2.69Å; D329-R333 IonicContact OD2-NE 2.66Å; D329-R333 IonicContact OD2-NH2 3.77Å; D329-R333 PolarHBondContact OD2-NH2 3.01Å
330E69.1Low64.8Low81 Ų8190.1 Ų90.138%0.37944%0.444SS..Hα-helixtrans-72.8-39.5179.5-178.860.2-163.700113.2S328 A332 R333 R334S328-E330 PolarHBondContact O-N 2.81Å; E330-A332 VanDerWaalsContact C-N 3.31Å; E330-A332 PolarHBondContact O-N 3.1Å; E330-R333 PolarHBondContact O-N 3.07Å; E330-R333 IonicContact OE2-NH1 3.65Å; E330-R333 PolarHBondContact OE2-NH1 3.12Å; E330-R334 WeakPolarHBondContact O-CG 3.26Å; E330-R334 PolarHBondContact O-N 2.97Å; E330-R334 VanDerWaalsContact O-N 3.12Å; E330-R334 IonicContact OE1-CZ 3.11Å; E330-R334 IonicContact OE1-NE 3.11Å; E330-R334 PolarHBondContact OE1-NE 3.2Å; E330-R334 VanDerWaalsContact OE1-NE 3.1Å; E330-R334 IonicContact OE1-NH2 2.59Å; E330-R334 PolarHBondContact OE1-NH2 2.91Å
331A63.8Low64.3Low30 Ų3085.3 Ų85.325%0.24843%0.434CS..Hα-helixtrans-68.2-36.4177.700000110.8I269 V327 S328 R334 L335I269-A331 HydrophobicContact CD1-CB 3.65Å; I269-A331 VanDerWaalsContact CD1-O 3.28Å; I269-A331 WeakPolarHBondContact CD1-O 3.39Å; V327-A331 HydrophobicContact CG1-CB 4.3Å; S328-A331 PolarHBondContact O-N 2.74Å; A331-R334 PolarHBondContact O-N 3.48Å; A331-L335 PolarHBondContact O-N 3.25Å
332A63.3Low63.7Low10 Ų1087.3 Ų87.38%0.08345%0.446CS..Hα-helixtrans-62.7-45.8174.200000112S328 E330 R334 L335 E336S328-A332 PolarHBondContact O-N 2.65Å; E330-A332 VanDerWaalsContact C-N 3.31Å; E330-A332 PolarHBondContact O-N 3.1Å; A332-R334 PolarHBondContact O-N 3.13Å; A332-L335 PolarHBondContact O-N 3.34Å; A332-E336 PolarHBondContact O-N 3.47Å
333R66.1Low62.8Low137 Ų13786.7 Ų86.752%0.51745%0.448SS..Hα-helixtrans-60.6-42175.9-74.8-175.5-135.2152.8-3.7112.7D329 E330 E336 A337D329-R333 WeakPolarHBondContact O-CG 3.41Å; D329-R333 PolarHBondContact O-N 3.28Å; D329-R333 VanDerWaalsContact O-N 3.13Å; D329-R333 IonicContact OD2-CZ 2.69Å; D329-R333 IonicContact OD2-NE 2.66Å; D329-R333 IonicContact OD2-NH2 3.77Å; D329-R333 PolarHBondContact OD2-NH2 3.01Å; E330-R333 PolarHBondContact O-N 3.07Å; E330-R333 IonicContact OE2-NH1 3.65Å; E330-R333 PolarHBondContact OE2-NH1 3.12Å; R333-E336 PolarHBondContact O-N 2.82Å; R333-A337 WeakPolarHBondContact O-CB 3.17Å; R333-A337 PolarHBondContact O-N 3.39Å
334R68.7Low61.6Low132 Ų13283.4 Ų83.450%0.49845%0.446SS..Hα-helixtrans-66.5-39177.7-69.7-175.1-170.8-171.50.4112.5I269 E330 A331 A332 A337 L338I269-R334 HydrophobicContact CD1-CB 4.45Å; I269-R334 HydrophobicContact CG2-CB 4.28Å; E330-R334 WeakPolarHBondContact O-CG 3.26Å; E330-R334 PolarHBondContact O-N 2.97Å; E330-R334 VanDerWaalsContact O-N 3.12Å; E330-R334 IonicContact OE1-CZ 3.11Å; E330-R334 IonicContact OE1-NE 3.11Å; E330-R334 PolarHBondContact OE1-NE 3.2Å; E330-R334 VanDerWaalsContact OE1-NE 3.1Å; E330-R334 IonicContact OE1-NH2 2.59Å; E330-R334 PolarHBondContact OE1-NH2 2.91Å; A331-R334 PolarHBondContact O-N 3.48Å; A332-R334 PolarHBondContact O-N 3.13Å; R334-A337 PolarHBondContact O-N 3.26Å; R334-L338 WeakPolarHBondContact O-CG 3.26Å; R334-L338 PolarHBondContact O-N 3.08Å
335L65.7Low60.5Low11 Ų1184.6 Ų84.66%0.05845%0.453CS..Hα-helixtrans-65.9-39.6175.5-158.2108.2000111.7I269 A318 K319 A331 A332 L338 V339I269-L335 HydrophobicContact CG1-CD1 4.46Å; A318-L335 HydrophobicContact CB-CD1 3.9Å; K319-L335 HydrophobicContact CG-CD2 4.07Å; A331-L335 PolarHBondContact O-N 3.25Å; A332-L335 PolarHBondContact O-N 3.34Å; L335-L338 PolarHBondContact O-N 3.25Å; L335-V339 VanDerWaalsContact O-CG2 3.29Å; L335-V339 WeakPolarHBondContact O-CG2 3.38Å; L335-V339 PolarHBondContact O-N 3.37Å
336E68Low59.4Low88 Ų8882.9 Ų82.941%0.41146%0.461SS..Hα-helixtrans-65.7-41.9173.6-77.9170.3-159.800111.8R322 A332 R333 L338 V339 N340R322-E336 IonicContact CZ-OE1 2.8Å; R322-E336 VanDerWaalsContact CZ-OE1 3.31Å; R322-E336 IonicContact NH1-OE1 3.79Å; R322-E336 PolarHBondContact NH1-OE1 3.21Å; R322-E336 IonicContact NH2-OE1 3.97Å; R322-E336 PolarHBondContact NH2-OE1 3.07Å; A332-E336 PolarHBondContact O-N 3.47Å; R333-E336 PolarHBondContact O-N 2.82Å; E336-L338 VanDerWaalsContact C-N 3.33Å; E336-L338 PolarHBondContact O-N 2.87Å; E336-V339 PolarHBondContact O-N 3.47Å; E336-N340 WeakPolarHBondContact O-CB 3.48Å; E336-N340 PolarHBondContact O-N 3.39Å; E336-N340 PolarHBondContact O-ND2 3.41Å
337A70.7Confident58.3Low58 Ų5880.2 Ų80.248%0.47945%0.454SS..Hα-helixtrans-60.4-41.1173.600000112.2R333 R334 N340 S341R333-A337 WeakPolarHBondContact O-CB 3.17Å; R333-A337 PolarHBondContact O-N 3.39Å; R334-A337 PolarHBondContact O-N 3.26Å; A337-N340 PolarHBondContact O-N 2.78Å; A337-S341 WeakPolarHBondContact O-CB 3.24Å; A337-S341 PolarHBondContact O-N 2.79Å
338L65.5Low57.2Low17 Ų1782 Ų829%0.08947%0.465CS..Hα-helixtrans-63.3-47.1175.3-82.7158.6000112I269 E273 L276 R334 L335 E336 N340 S341 C342I269-L338 HydrophobicContact CG2-CD1 3.86Å; E273-L338 HydrophobicContact CG-CD1 3.58Å; E273-L338 HydrophobicContact CG-CD2 3.71Å; E273-L338 HydrophobicContact CG-CG 4.13Å; L276-L338 HydrophobicContact CD1-CD2 3.43Å; L276-L338 VanDerWaalsContact CD1-CD2 3.43Å; R334-L338 WeakPolarHBondContact O-CG 3.26Å; R334-L338 PolarHBondContact O-N 3.08Å; L335-L338 PolarHBondContact O-N 3.25Å; E336-L338 VanDerWaalsContact C-N 3.33Å; E336-L338 PolarHBondContact O-N 2.87Å; L338-N340 VanDerWaalsContact C-N 3.32Å; L338-N340 PolarHBondContact O-N 3.49Å; L338-S341 PolarHBondContact O-N 3.11Å; L338-S341 PolarHBondContact O-OG 3.39Å; L338-C342 PolarHBondContact O-N 2.9Å; L338-C342 PolarHBondContact O-SG 2.86Å; L338-C342 VanDerWaalsContact O-SG 3.37Å
339V66.5Low55.8Low35 Ų3584.5 Ų84.521%0.21248%0.477CS..Hα-helixtrans-60.4-43.7176.9171.20000110.9L315 L335 E336 C342 Q343L315-V339 HydrophobicContact CD1-CG2 4.03Å; L335-V339 VanDerWaalsContact O-CG2 3.29Å; L335-V339 WeakPolarHBondContact O-CG2 3.38Å; L335-V339 PolarHBondContact O-N 3.37Å; E336-V339 PolarHBondContact O-N 3.47Å; V339-C342 PolarHBondContact O-N 3.25Å; V339-Q343 PolarHBondContact O-N 3.3Å
340N62.2Low54.4Low103 Ų10387.7 Ų87.755%0.55149%0.493SS*.Hα-helixtrans-65.8-38178.2-68.4-14.5000111.5E336 A337 L338 C342 Q343E336-N340 WeakPolarHBondContact O-CB 3.48Å; E336-N340 PolarHBondContact O-N 3.39Å; E336-N340 PolarHBondContact O-ND2 3.41Å; A337-N340 PolarHBondContact O-N 2.78Å; L338-N340 VanDerWaalsContact C-N 3.32Å; L338-N340 PolarHBondContact O-N 3.49Å; N340-C342 PolarHBondContact O-N 3.37Å; N340-Q343 PolarHBondContact O-N 2.88Å; N340-Q343 VanDerWaalsContact O-N 3.16Å
341S62.8Low52.7Low56 Ų5688.9 Ų88.939%0.39251%0.51SS..Hα-helixtrans-67.4-1717684.10000114.2R280 A337 L338R280-S341 PolarHBondContact NH2-O 3.21Å; A337-S341 WeakPolarHBondContact O-CB 3.24Å; A337-S341 PolarHBondContact O-N 2.79Å; L338-S341 PolarHBondContact O-N 3.11Å; L338-S341 PolarHBondContact O-OG 3.39Å
342C55.6Low51.3Low59 Ų5996 Ų9640%0.39954%0.539SS..Hα-helixtrans-94.3-11.8177-69.80000112.8L276 L338 V339 N340L276-C342 WeakPolarHBondContact CD2-SG 3.33Å; L338-C342 PolarHBondContact O-N 2.9Å; L338-C342 PolarHBondContact O-SG 2.86Å; L338-C342 VanDerWaalsContact O-SG 3.37Å; V339-C342 PolarHBondContact O-N 3.25Å; N340-C342 PolarHBondContact O-N 3.37Å
343Q47.4Very low50Low92 Ų92103.7 Ų103.743%0.4358%0.578SS.*SBendtrans-92.3124.2170.9-69.1-166.8-9.300109.1N218 V339 N340 D345N218-Q343 PolarHBondContact OD1-NE2 2.89Å; V339-Q343 PolarHBondContact O-N 3.3Å; N340-Q343 PolarHBondContact O-N 2.88Å; N340-Q343 VanDerWaalsContact O-N 3.16Å; Q343-D345 PolarHBondContact O-N 2.82Å
344P39.9Very low48.3Very low119 Ų119100.4 Ų100.477%0.77359%0.587SS**  trans-63.8130.2171.826.4-30.9000109S346P344-S346 PolarHBondContact O-N 3.41Å
345D36.7Very low46.5Very low162 Ų162103 Ų10387%0.86661%0.605SS**  trans-36.5117.4-177.1-64.1-54.8000112.6Q343Q343-D345 PolarHBondContact O-N 2.82Å
346S35.4Very low45Very low105 Ų105107.8 Ų107.873%0.73463%0.625SS**  trans-77.1129.216549.20000108.2P344 T348P344-S346 PolarHBondContact O-N 3.41Å; S346-T348 PolarHBondContact O-N 3.42Å
347P35.9Very low43.3Very low120 Ų120108.7 Ų108.778%0.77964%0.637SS**  trans-69.3109.9170.726.7-29.4000108.7
348T34.6Very low41.7Very low120 Ų120107 Ų10774%0.73662%0.62SS**  trans34.5102.1138-27.10000116.3S346 L350S346-T348 PolarHBondContact O-N 3.42Å; T348-L350 PolarHBondContact O-N 2.95Å
349T31.8Very low40.2Very low132 Ų132110.1 Ų110.181%0.8164%0.637SS**  trans21.695.9146.354.40000116.3
350L33.6Very low39Very low174 Ų174109.2 Ų109.291%0.91163%0.632SS**  trans-108.7129.1154.3-88.9162.1000108.3T348T348-L350 PolarHBondContact O-N 2.95Å
351S31.5Very low38Very low106 Ų106111.5 Ų111.574%0.74163%0.632SS**  trans-33.9136.3-175.5-159.90000115.3
352E34.9Very low36.9Very low180 Ų180112.5 Ų112.584%0.84164%0.64SS**THydrogen-bonded Turntrans-49.5138.3153.4-62.2178.8144.600108.2
353D35.5Very low36.3Very low172 Ų172113.3 Ų113.392%0.9264%0.643SS**THydrogen-bonded Turntrans95.820.7-175.1-59-23.5000119.8
354G30.5Very low36Very low67 Ų67116.4 Ų116.469%0.69165%0.65SS**  trans-98.495.616900000114.1F356G354-F356 PolarHBondContact O-N 2.9Å
355Q32.7Very low36.3Very low188 Ų188118.5 Ų118.588%0.87965%0.647SS**  trans-54.9111.7160.4-109.6175.7-7.400108.8V357Q355-V357 PolarHBondContact O-N 3.36Å
356F32.9Very low36.5Very low110 Ų110118.4 Ų118.448%0.48264%0.639SS.*  trans-70.7111.1174.5-171.3-94.1000108.8H3 G354 P358H3-F356 AromaticContact CD2-CE2 3.91Å; H3-F356 AromaticContact CD2-CZ 3.65Å; H3-F356 AromaticContact CE1-CE2 3.94Å; H3-F356 AromaticContact NE2-CE2 3.53Å; H3-F356 AromaticContact NE2-CZ 3.77Å; G354-F356 PolarHBondContact O-N 2.9Å; F356-P358 HydrophobicContact CE1-CB 4.17Å
357V33.7Very low36.8Very low108 Ų108118 Ų11866%0.65564%0.636SS**  trans-104.1107.6170.4-176.90000106.3Q355 L359Q355-V357 PolarHBondContact O-N 3.36Å; V357-L359 PolarHBondContact O-N 3.4Å
358P35.4Very low36.9Very low21 Ų21122.2 Ų122.214%0.13664%0.642CS.*  trans-59.5113.6169.826.4-32.5000107.4D204 F356 V360D204-P358 WeakPolarHBondContact OD1-CG 3.49Å; F356-P358 HydrophobicContact CE1-CB 4.17Å; P358-V360 VanDerWaalsContact C-N 3.3Å; P358-V360 PolarHBondContact O-N 3.38Å
359L35.1Very low37.2Very low84 Ų84127.5 Ų127.544%0.4465%0.649SS.*  trans-78.987.8-179.1-177.380.1000108.2V357 R361 L385V357-L359 PolarHBondContact O-N 3.4Å; L359-R361 HydrophobicContact CD2-CG 4.41Å; L359-R361 HydrophobicContact CG-CG 4.22Å; L359-L385 HydrophobicContact CB-CD1 4.02Å; L359-L385 HydrophobicContact CD2-CD1 3.9Å; L359-L385 HydrophobicContact CG-CD1 4.29Å; L359-L385 WeakPolarHBondContact O-CD1 3.26Å
360V40.2Very low37.4Very low16 Ų16132 Ų13210%0.09765%0.651CS.*  trans-83.4124.3168.7-165.10000107.8E200 P358 V382 Q383E200-V360 HydrophobicContact CB-CB 3.95Å; E200-V360 HydrophobicContact CB-CG1 4.12Å; E200-V360 HydrophobicContact CB-CG2 4.05Å; E200-V360 VanDerWaalsContact CD-CB 3.42Å; E200-V360 VanDerWaalsContact CD-CG1 3.48Å; E200-V360 HydrophobicContact CG-CB 3.74Å; E200-V360 HydrophobicContact CG-CG1 3.52Å; E200-V360 HydrophobicContact CG-CG2 4.35Å; E200-V360 WeakPolarHBondContact OE1-CB 3.44Å; E200-V360 WeakPolarHBondContact OE1-CG1 3.5Å; P358-V360 VanDerWaalsContact C-N 3.3Å; P358-V360 PolarHBondContact O-N 3.38Å; V360-V382 HydrophobicContact CG1-CB 4.46Å; V360-V382 HydrophobicContact CG1-CG1 3.18Å; V360-Q383 WeakPolarHBondContact CA-O 3.42Å; V360-Q383 WeakPolarHBondContact CG1-O 3.39Å
361R42.3Very low37.5Very low150 Ų150135.2 Ų135.257%0.56665%0.651SS**EExtended strand (participates in β ladder)trans-110.7115.6178.7-80.7-173.7178.5168.23.1110.1L359 V363 Q383L359-R361 HydrophobicContact CD2-CG 4.41Å; L359-R361 HydrophobicContact CG-CG 4.22Å; R361-V363 PolarHBondContact O-N 2.69Å; R361-Q383 PolarHBondContact N-O 3.38Å; R361-Q383 PolarHBondContact O-N 3.43Å
362S39.8Very low37.7Very low78 Ų78134.2 Ų134.255%0.54564%0.644SS.*EExtended strand (participates in β ladder)trans-73.4116.4165.5710000110.4N381S362-N381 WeakPolarHBondContact CA-O 3.49Å
363V41.8Very low37.6Very low76 Ų76132 Ų13246%0.46165%0.645SS.*  trans-105.6100.4175.7-178.90000108.7R361 K365 N381R361-V363 PolarHBondContact O-N 2.69Å; V363-K365 PolarHBondContact O-N 2.97Å; V363-N381 HydrophobicContact CB-CB 4.08Å; V363-N381 PolarHBondContact N-O 2.88Å; V363-N381 WeakPolarHBondContact O-CB 3.44Å; V363-N381 PolarHBondContact O-ND2 3.22Å
364R42Very low37.8Very low157 Ų157126.8 Ų126.859%0.59262%0.62SS**  trans-80.1121.3179.4-167.9177.4-173.5174.97.4110.9K366R364-K366 VanDerWaalsContact CZ-CE 3.46Å
365K46Very low38.2Very low162 Ų162125.4 Ų125.470%0.70460%0.602SS**  trans-116.8104.9165.5-159.2175.3-176178.70109.6V363 S367V363-K365 PolarHBondContact O-N 2.97Å; K365-S367 PolarHBondContact O-N 2.94Å; K365-S367 VanDerWaalsContact O-N 3.11Å
366K40.9Very low38.8Very low160 Ų160118.5 Ų118.570%0.69657%0.57SS**  trans-71.1101.9168.6-70.3-175.1178.7-179.20108R364 K368R364-K366 VanDerWaalsContact CZ-CE 3.46Å; K366-K368 PolarHBondContact O-N 2.88Å; K366-K368 VanDerWaalsContact O-N 3.09Å
367S42Very low39.7Very low96 Ų96121.1 Ų121.167%0.67158%0.584SS**  trans-71.5100.1170.5179.30000108.7K365 R369K365-S367 PolarHBondContact O-N 2.94Å; K365-S367 VanDerWaalsContact O-N 3.11Å; S367-R369 VanDerWaalsContact C-N 3.27Å; S367-R369 PolarHBondContact O-N 2.97Å
368K37.8Very low40.5Very low210 Ų210118.9 Ų118.991%0.91357%0.566SS**  trans-88.462.8175-146.9177.9-169.8-179.60108.9K366K366-K368 PolarHBondContact O-N 2.88Å; K366-K368 VanDerWaalsContact O-N 3.09Å
369R40.1Very low41Very low231 Ų231119.9 Ų119.987%0.87257%0.573SS**  trans-91.4121.6169.8-86.8-167172.3-157.9-0.9109.7S367S367-R369 VanDerWaalsContact C-N 3.27Å; S367-R369 PolarHBondContact O-N 2.97Å
370R36.7Very low41.7Very low227 Ų227116.7 Ų116.786%0.85756%0.556SS**  trans-68.3134179.9-75.1-179.7166.2-161.6-3.1110.5
371R35.3Very low41.8Very low240 Ų240116.4 Ų116.491%0.90655%0.554SS**  trans64.378.8150.8-61.3-177.3179.9-168.9-0.8117.4
372S36.4Very low42.3Very low85 Ų85109.7 Ų109.759%0.59453%0.529SS*.  trans-150.2137.3137.160.80000109T374S372-T374 VanDerWaalsContact C-N 3.3Å; S372-T374 PolarHBondContact O-N 3.32Å; S372-T374 PolarHBondContact OG-OG1 3.4Å
373P32.1Very low42.7Very low135 Ų135107.6 Ų107.688%0.87751%0.511SS*.  trans-80.580.3179.533.1-30.4000109.1
374T40.4Very low43.3Very low62 Ų62104.2 Ų104.238%0.3849%0.49SS..  trans-138.7110.8172.934.70000108.8V159 S372 M376V159-T374 HydrophobicContact CB-CG2 3.78Å; V159-T374 HydrophobicContact CG1-CG2 4.18Å; S372-T374 VanDerWaalsContact C-N 3.3Å; S372-T374 PolarHBondContact O-N 3.32Å; S372-T374 PolarHBondContact OG-OG1 3.4Å; T374-M376 VanDerWaalsContact C-N 3.31Å; T374-M376 PolarHBondContact O-N 3.03Å
375A39.3Very low43.3Very low38 Ų38100.9 Ų100.931%0.31448%0.484SS..SBendtrans-76.249.8-154.800000117.1M187M187-A375 HydrophobicContact CE-CB 3.91Å; M187-A375 HydrophobicContact CG-CB 4.29Å
376M44Very low43.2Very low43 Ų4397.8 Ų97.821%0.21247%0.472CS..  trans-123.697.6165.8-93.2-170.5-75.100110.2P157 V159 T374P157-M376 HydrophobicContact CB-CE 3.46Å; P157-M376 VanDerWaalsContact CB-CE 3.46Å; P157-M376 HydrophobicContact CG-CE 3.27Å; P157-M376 HydrophobicContact CG-SD 3.73Å; V159-M376 HydrophobicContact CG2-CE 3.29Å; T374-M376 VanDerWaalsContact C-N 3.31Å; T374-M376 PolarHBondContact O-N 3.03Å
377E52Low43.3Very low164 Ų16494.5 Ų94.577%0.76646%0.461SS*.  trans-1112.7-174.5-66.1-166.5152.600114.1V186V186-E377 HydrophobicContact CG2-CB 4.35Å
378Q50.8Low43.3Very low61 Ų6194.4 Ų94.429%0.28545%0.449SS..EExtended strand (participates in β ladder)trans-134.7115.1-173.2-53.4-166.818.100113.2V186 P192 F380V186-Q378 HydrophobicContact CG2-CG 4.17Å; P192-Q378 HydrophobicContact CG-CB 4.08Å; P192-Q378 HydrophobicContact CG-CG 4.41Å; Q378-F380 HydrophobicContact CB-CE2 3.5Å; Q378-F380 VanDerWaalsContact CB-CE2 3.5Å; Q378-F380 HydrophobicContact CB-CZ 3.66Å
379C45.5Very low43.7Very low43 Ų4387.6 Ų87.629%0.29142%0.422SS..EExtended strand (participates in β ladder)trans-110.5134.1172.3-64.60000109.5F154F154-C379 HydrophobicContact CD1-CB 3.56Å; F154-C379 HydrophobicContact CE1-CB 3.58Å; F154-C379 HydrophobicContact CG-CB 4.42Å; F154-C379 HydrophobicContact CZ-CB 4.45Å
380F49.7Very low43.9Very low17 Ų1778.7 Ų78.78%0.07539%0.394CS..EExtended strand (participates in β ladder)trans-118.2146.4180-61.4-77.6000110.8L182 V184 P192 N193 Q378L182-F380 PolarHBondContact N-O 3.26Å; L182-F380 PolarHBondContact O-N 2.92Å; V184-F380 HydrophobicContact CG2-CD2 4.49Å; V184-F380 HydrophobicContact CG2-CE2 4.28Å; P192-F380 HydrophobicContact CB-CD2 4.19Å; P192-F380 HydrophobicContact CB-CE2 3.38Å; P192-F380 HydrophobicContact CB-CZ 3.9Å; P192-F380 HydrophobicContact CG-CE2 3.54Å; P192-F380 HydrophobicContact CG-CZ 3.63Å; N193-F380 HydrophobicContact CB-CE1 4.11Å; N193-F380 WeakPolarHBondContact OD1-CE1 3.26Å; Q378-F380 HydrophobicContact CB-CE2 3.5Å; Q378-F380 VanDerWaalsContact CB-CE2 3.5Å; Q378-F380 HydrophobicContact CB-CZ 3.66Å
381N42.5Very low44.4Very low10 Ų1068.8 Ų68.85%0.05336%0.363CS..EExtended strand (participates in β ladder)trans-122.4131.2178-62.4-46.3000108.7F154 I180 S362 V363F154-N381 VanDerWaalsContact CE1-OD1 3.26Å; F154-N381 WeakPolarHBondContact CE1-OD1 3.26Å; F154-N381 WeakPolarHBondContact CZ-OD1 3.48Å; I180-N381 WeakPolarHBondContact O-CA 3.35Å; S362-N381 WeakPolarHBondContact CA-O 3.49Å; V363-N381 HydrophobicContact CB-CB 4.08Å; V363-N381 PolarHBondContact N-O 2.88Å; V363-N381 WeakPolarHBondContact O-CB 3.44Å; V363-N381 PolarHBondContact O-ND2 3.22Å
382V52.6Low45Very low8 Ų856.6 Ų56.65%0.04832%0.324CS..EExtended strand (participates in β ladder)trans-125.8118171.2-176.10000106I180 A196 M199 V360 I384I180-V382 HydrophobicContact CB-CB 4.26Å; I180-V382 HydrophobicContact CD1-CB 4.18Å; I180-V382 HydrophobicContact CD1-CG1 4.23Å; I180-V382 PolarHBondContact N-O 3.46Å; I180-V382 PolarHBondContact O-N 3.38Å; A196-V382 HydrophobicContact CB-CG2 3.74Å; M199-V382 HydrophobicContact CB-CG1 4.28Å; M199-V382 HydrophobicContact CB-CG2 4.31Å; M199-V382 HydrophobicContact CG-CG1 4.04Å; V360-V382 HydrophobicContact CG1-CB 4.46Å; V360-V382 HydrophobicContact CG1-CG1 3.18Å; V382-I384 HydrophobicContact CG1-CG1 4.47Å
383Q49.4Very low45.7Very low34 Ų3454.4 Ų54.416%0.15930%0.303CS..EExtended strand (participates in β ladder)trans-99.7114174.3178.8175.32.200108.5D177 Y179 V360 R361 L385D177-Q383 PolarHBondContact OD2-NE2 3.09Å; Y179-Q383 HydrophobicContact CD1-CB 4.28Å; Y179-Q383 HydrophobicContact CD1-CG 4.07Å; Y179-Q383 HydrophobicContact CE1-CB 4.33Å; Y179-Q383 VanDerWaalsContact CE1-CD 3.47Å; Y179-Q383 HydrophobicContact CE1-CG 3.75Å; Y179-Q383 PolarHBondContact OH-NE2 3.32Å; V360-Q383 WeakPolarHBondContact CA-O 3.42Å; V360-Q383 WeakPolarHBondContact CG1-O 3.39Å; R361-Q383 PolarHBondContact N-O 3.38Å; R361-Q383 PolarHBondContact O-N 3.43Å; Q383-L385 HydrophobicContact CG-CD2 4.27Å; Q383-L385 HydrophobicContact CG-CG 4.4Å
384I54.5Low46.8Very low6 Ų647.7 Ų47.73%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-93.1117.3171.9-56.7172.9000107.5L4 L19 V178 I180 M199 V203 V382L4-I384 HydrophobicContact CD1-CG2 4.42Å; L19-I384 HydrophobicContact CD2-CD1 4.44Å; V178-I384 PolarHBondContact N-O 2.94Å; V178-I384 PolarHBondContact O-N 2.85Å; I180-I384 HydrophobicContact CD1-CD1 3.41Å; I180-I384 VanDerWaalsContact CD1-CD1 3.41Å; I180-I384 HydrophobicContact CD1-CG1 3.86Å; M199-I384 HydrophobicContact CE-CD1 4.33Å; V203-I384 HydrophobicContact CG1-CG2 4.35Å; V203-I384 HydrophobicContact CG2-CD1 3.59Å; V203-I384 HydrophobicContact CG2-CG1 4.18Å; V382-I384 HydrophobicContact CG1-CG1 4.47Å
385L41.1Very low47.4Very low86 Ų8646.4 Ų46.445%0.4524%0.244SC..  trans-85.80177.1-71.8176.4000112.3M1 D177 L359 Q383M1-L385 PolarHBondContact N-OXT 3.42Å; D177-L385 VanDerWaalsContact OD1-CD2 3.29Å; D177-L385 WeakPolarHBondContact OD1-CD2 3.45Å; L359-L385 HydrophobicContact CB-CD1 4.02Å; L359-L385 HydrophobicContact CD2-CD1 3.9Å; L359-L385 HydrophobicContact CG-CD1 4.29Å; L359-L385 WeakPolarHBondContact O-CD1 3.26Å; Q383-L385 HydrophobicContact CG-CD2 4.27Å; Q383-L385 HydrophobicContact CG-CG 4.4Å

Retrieved 385 of 385 residues in 468.4 ms (Link to these results)

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