A0A096N877_PAPAN Loading...

Serpin family E member 3

AlphaFold DB , UniProt , Accession A0A096N877, Species PAPAN (Papio anubis, Olive baboon), Gene SERPINE3, Length 424 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
1M55.9Low58.3Low216 Ų216116.4 Ų116.4100%1.06461%0.608SS**  0132.50-75.8-171.3161.700108.1
2P61.7Low57.6Low70 Ų70116.7 Ų116.746%0.45560%0.604SS.*  trans-69.5140.4-177.729.2-32.3000109.9F4 L5P2-F4 PolarHBondContact O-N 2.92Å; P2-F4 VanDerWaalsContact O-N 3.09Å; P2-L5 HydrophobicContact CG-CB 4.27Å; P2-L5 HydrophobicContact CG-CD1 3.64Å; P2-L5 HydrophobicContact CG-CG 4.02Å; P2-L5 PolarHBondContact O-N 3.1Å
3P59.3Low56.8Low98 Ų98111.1 Ų111.164%0.63658%0.581SS**Hα-helixtrans-59-25.4-176.622.3-32.6000113.1V6 T7P3-V6 PolarHBondContact O-N 3.04Å; P3-T7 PolarHBondContact O-N 3.01Å; P3-T7 VanDerWaalsContact O-N 3.08Å; P3-T7 PolarHBondContact O-OG1 3.1Å
4F57.9Low55.6Low174 Ų174108.6 Ų108.676%0.76358%0.576SS**Hα-helixtrans-64.2-34.4174.9-96.8-86.3000114.6P2 V6 T7 L8P2-F4 PolarHBondContact O-N 2.92Å; P2-F4 VanDerWaalsContact O-N 3.09Å; F4-V6 VanDerWaalsContact C-N 3.33Å; F4-T7 WeakPolarHBondContact CA-OG1 3.3Å; F4-T7 PolarHBondContact O-OG1 3.5Å; F4-T7 VanDerWaalsContact O-OG1 3.04Å; F4-L8 WeakPolarHBondContact O-CB 3.28Å; F4-L8 PolarHBondContact O-N 2.99Å; F4-L8 VanDerWaalsContact O-N 3.08Å
5L55.7Low55Low110 Ų110110.3 Ų110.358%0.57658%0.577SS**Hα-helixtrans-73.4-31.4177.6-82.2170.2000111.2P2 F9P2-L5 HydrophobicContact CG-CB 4.27Å; P2-L5 HydrophobicContact CG-CD1 3.64Å; P2-L5 HydrophobicContact CG-CG 4.02Å; P2-L5 PolarHBondContact O-N 3.1Å; L5-F9 VanDerWaalsContact O-CB 3.26Å; L5-F9 WeakPolarHBondContact O-CB 3.48Å; L5-F9 PolarHBondContact O-N 2.71Å
6V65Low54.6Low71 Ų71110 Ų11043%0.4358%0.576SS.*Hα-helixtrans-72.6-41.8177.2-178.80000110.6P3 F4 F9 L10P3-V6 PolarHBondContact O-N 3.04Å; F4-V6 VanDerWaalsContact C-N 3.33Å; V6-F9 PolarHBondContact O-N 2.71Å; V6-L10 HydrophobicContact CG1-CD1 3.94Å; V6-L10 HydrophobicContact CG1-CG 4.36Å; V6-L10 WeakPolarHBondContact O-CB 3.26Å; V6-L10 WeakPolarHBondContact O-CG 3.2Å; V6-L10 PolarHBondContact O-N 3.28Å
7T63.3Low54.3Low71 Ų71111.1 Ų111.144%0.43658%0.577SS.*Hα-helixtrans-68-39.3176.353.10000112.4P3 F4 F9 L10 L11P3-T7 PolarHBondContact O-N 3.01Å; P3-T7 VanDerWaalsContact O-N 3.08Å; P3-T7 PolarHBondContact O-OG1 3.1Å; F4-T7 WeakPolarHBondContact CA-OG1 3.3Å; F4-T7 PolarHBondContact O-OG1 3.5Å; F4-T7 VanDerWaalsContact O-OG1 3.04Å; T7-F9 VanDerWaalsContact C-N 3.34Å; T7-L10 PolarHBondContact O-N 3.33Å; T7-L11 WeakPolarHBondContact O-CB 3.4Å; T7-L11 VanDerWaalsContact O-CG 3.26Å; T7-L11 WeakPolarHBondContact O-CG 3.32Å; T7-L11 PolarHBondContact O-N 2.98Å
8L57.8Low54.5Low120 Ų120108.2 Ų108.263%0.62857%0.572SS**Hα-helixtrans-63.5-41.3174.5-158.986.1000111.4F4 H12F4-L8 WeakPolarHBondContact O-CB 3.28Å; F4-L8 PolarHBondContact O-N 2.99Å; F4-L8 VanDerWaalsContact O-N 3.08Å; L8-H12 VanDerWaalsContact O-CB 3.3Å; L8-H12 WeakPolarHBondContact O-CB 3.37Å; L8-H12 PolarHBondContact O-N 2.83Å
9F58.4Low54.8Low154 Ų154107.8 Ų107.868%0.67557%0.57SS**Hα-helixtrans-67.7-41.9177-163.3-92.3000112L5 V6 T7 H12 S13L5-F9 VanDerWaalsContact O-CB 3.26Å; L5-F9 WeakPolarHBondContact O-CB 3.48Å; L5-F9 PolarHBondContact O-N 2.71Å; V6-F9 PolarHBondContact O-N 2.71Å; T7-F9 VanDerWaalsContact C-N 3.34Å; F9-H12 PolarHBondContact O-N 3.11Å; F9-S13 WeakPolarHBondContact O-CB 3.26Å; F9-S13 PolarHBondContact O-N 3.27Å; F9-S13 PolarHBondContact O-OG 3.4Å
10L53.6Low55.2Low95 Ų95104.3 Ų104.350%0.49756%0.561SS.*Hα-helixtrans-64.5-43.7176.2-73.4172000111.7V6 T7 S13 C14V6-L10 HydrophobicContact CG1-CD1 3.94Å; V6-L10 HydrophobicContact CG1-CG 4.36Å; V6-L10 WeakPolarHBondContact O-CB 3.26Å; V6-L10 WeakPolarHBondContact O-CG 3.2Å; V6-L10 PolarHBondContact O-N 3.28Å; T7-L10 PolarHBondContact O-N 3.33Å; L10-S13 WeakPolarHBondContact CA-OG 3.46Å; L10-S13 PolarHBondContact O-N 2.57Å; L10-S13 PolarHBondContact O-OG 3.13Å; L10-C14 WeakPolarHBondContact O-CB 3.37Å; L10-C14 PolarHBondContact O-N 3.29Å; L10-C14 PolarHBondContact O-SG 3.49Å
11L52.4Low56.2Low101 Ų101105.2 Ų105.253%0.52956%0.561SS.*Hα-helixtrans-61.2-47.2173.7-73.9167.5000110.8T7 S13 C14 F15T7-L11 WeakPolarHBondContact O-CB 3.4Å; T7-L11 VanDerWaalsContact O-CG 3.26Å; T7-L11 WeakPolarHBondContact O-CG 3.32Å; T7-L11 PolarHBondContact O-N 2.98Å; L11-S13 VanDerWaalsContact C-N 3.33Å; L11-S13 PolarHBondContact O-N 3.48Å; L11-C14 PolarHBondContact O-N 3.14Å; L11-F15 WeakPolarHBondContact O-CB 3.24Å; L11-F15 WeakPolarHBondContact O-CD2 3.49Å; L11-F15 PolarHBondContact O-N 2.91Å
12H50.1Low57.4Low120 Ų12097 Ų9756%0.55652%0.521SS*.Hα-helixtrans-61.8-40.4178.4-160.163.8000112.2L8 F9 F15 L16L8-H12 VanDerWaalsContact O-CB 3.3Å; L8-H12 WeakPolarHBondContact O-CB 3.37Å; L8-H12 PolarHBondContact O-N 2.83Å; F9-H12 PolarHBondContact O-N 3.11Å; H12-F15 PolarHBondContact O-N 3.08Å; H12-L16 WeakPolarHBondContact O-CB 3.37Å; H12-L16 VanDerWaalsContact O-CG 3.3Å; H12-L16 WeakPolarHBondContact O-CG 2.99Å; H12-L16 PolarHBondContact O-N 3.31Å
13S47Very low58.3Low44 Ų4498.6 Ų98.631%0.30852%0.519SS..Hα-helixtrans-66.6-38.9175.265.90000112.9F9 L10 L11 L16 Q17F9-S13 WeakPolarHBondContact O-CB 3.26Å; F9-S13 PolarHBondContact O-N 3.27Å; F9-S13 PolarHBondContact O-OG 3.4Å; L10-S13 WeakPolarHBondContact CA-OG 3.46Å; L10-S13 PolarHBondContact O-N 2.57Å; L10-S13 PolarHBondContact O-OG 3.13Å; L11-S13 VanDerWaalsContact C-N 3.33Å; L11-S13 PolarHBondContact O-N 3.48Å; S13-L16 PolarHBondContact O-N 3.07Å; S13-Q17 VanDerWaalsContact O-CB 3.28Å; S13-Q17 WeakPolarHBondContact O-CB 3.39Å; S13-Q17 PolarHBondContact O-N 3.16Å
14C40.2Very low59.3Low76 Ų7698.2 Ų98.251%0.51451%0.508SS..Hα-helixtrans-66.4-41.1174.5-70.50000111.8L10 L11 Q17 A18L10-C14 WeakPolarHBondContact O-CB 3.37Å; L10-C14 PolarHBondContact O-N 3.29Å; L10-C14 PolarHBondContact O-SG 3.49Å; L11-C14 PolarHBondContact O-N 3.14Å; C14-Q17 PolarHBondContact O-N 3.48Å; C14-A18 WeakPolarHBondContact O-CB 3.39Å; C14-A18 PolarHBondContact O-N 3.14Å
15F47Very low60.7Low135 Ų13591.3 Ų91.359%0.59249%0.486SS*.Hα-helixtrans-65.1-42.5175.4-88.7-73.9000112.1L11 H12 A18 N19L11-F15 WeakPolarHBondContact O-CB 3.24Å; L11-F15 WeakPolarHBondContact O-CD2 3.49Å; L11-F15 PolarHBondContact O-N 2.91Å; H12-F15 PolarHBondContact O-N 3.08Å; F15-A18 PolarHBondContact O-N 2.95Å; F15-N19 WeakPolarHBondContact O-CB 3.14Å; F15-N19 PolarHBondContact O-N 2.7Å
16L48.3Very low62.3Low105 Ų10586.3 Ų86.355%0.5546%0.46SS..Hα-helixtrans-63.6-40.8174.8-76.5166.5000111.8H12 S13 G20H12-L16 WeakPolarHBondContact O-CB 3.37Å; H12-L16 VanDerWaalsContact O-CG 3.3Å; H12-L16 WeakPolarHBondContact O-CG 2.99Å; H12-L16 PolarHBondContact O-N 3.31Å; S13-L16 PolarHBondContact O-N 3.07Å; L16-G20 PolarHBondContact O-N 3.08Å
17Q49.6Very low63.4Low129 Ų12983.3 Ų83.360%0.60344%0.441SS*.Hα-helixtrans-68.9-41.2178.5-170.2170.42.200112.2S13 C14 G20 H21S13-Q17 VanDerWaalsContact O-CB 3.28Å; S13-Q17 WeakPolarHBondContact O-CB 3.39Å; S13-Q17 PolarHBondContact O-N 3.16Å; C14-Q17 PolarHBondContact O-N 3.48Å; Q17-G20 PolarHBondContact O-N 3.2Å; Q17-H21 PolarHBondContact O-CD2 3.27Å; Q17-H21 PolarHBondContact O-N 3.31Å
18A57.1Low64.6Low58 Ų5882.3 Ų82.348%0.47943%0.433SS..Hα-helixtrans-64.4-41.8175.200000112.3C14 F15 H21 L22C14-A18 WeakPolarHBondContact O-CB 3.39Å; C14-A18 PolarHBondContact O-N 3.14Å; F15-A18 PolarHBondContact O-N 2.95Å; A18-H21 PolarHBondContact O-N 3.48Å; A18-L22 PolarHBondContact O-N 2.87Å
19N60.9Low66.2Low101 Ų10179.7 Ų79.754%0.5442%0.419SS..Hα-helixtrans-68.1-35.2174.9-80.5-10.1000112.5F15 R23F15-N19 WeakPolarHBondContact O-CB 3.14Å; F15-N19 PolarHBondContact O-N 2.7Å; N19-R23 WeakPolarHBondContact O-CB 3.26Å; N19-R23 PolarHBondContact O-N 3.46Å
20G63.6Low67.8Low37 Ų3772.8 Ų72.838%0.38139%0.389SS..Hα-helixtrans-60.5-49.2172.200000112L16 Q17 L22 R23 E24L16-G20 PolarHBondContact O-N 3.08Å; Q17-G20 PolarHBondContact O-N 3.2Å; G20-L22 PolarHBondContact O-N 2.93Å; G20-R23 PolarHBondContact O-N 2.96Å; G20-E24 WeakPolarHBondContact O-CB 3.37Å; G20-E24 PolarHBondContact O-N 2.96Å
21H76.1Confident69.5Low124 Ų12468.5 Ų68.557%0.57437%0.367SS*.Hα-helixtrans-62.1-40.9177.1-89.9-71.6000113.2Q17 A18 G25Q17-H21 PolarHBondContact O-CD2 3.27Å; Q17-H21 PolarHBondContact O-N 3.31Å; A18-H21 PolarHBondContact O-N 3.48Å; H21-G25 PolarHBondContact O-N 3.47Å
22L80.3Confident71.5Confident43 Ų4368.2 Ų68.223%0.22536%0.363CS..Hα-helixtrans-64.8-47.1176.2178.672.4000111.5A18 G20 E24 G25 M26 R88A18-L22 PolarHBondContact O-N 2.87Å; G20-L22 PolarHBondContact O-N 2.93Å; L22-E24 VanDerWaalsContact C-N 3.33Å; L22-E24 PolarHBondContact O-N 2.91Å; L22-G25 PolarHBondContact O-N 3.13Å; L22-M26 HydrophobicContact CD1-CG 4.25Å; L22-M26 HydrophobicContact CG-CG 4.41Å; L22-M26 WeakPolarHBondContact O-CB 3.43Å; L22-M26 WeakPolarHBondContact O-CG 3.09Å; L22-M26 PolarHBondContact O-N 3.23Å; L22-R88 HydrophobicContact CD2-CB 3.61Å; L22-R88 HydrophobicContact CD2-CG 4.49Å
23R80.1Confident73.5Confident105 Ų10562.9 Ų62.940%0.39634%0.338SS..Hα-helixtrans-59.7-45.7178.7169.7169.9-72.4-128.6-2.7111.1N19 G20 T27 F92 N389N19-R23 WeakPolarHBondContact O-CB 3.26Å; N19-R23 PolarHBondContact O-N 3.46Å; G20-R23 PolarHBondContact O-N 2.96Å; R23-T27 WeakPolarHBondContact O-CB 3.36Å; R23-T27 PolarHBondContact O-N 3.43Å; R23-T27 PolarHBondContact O-OG1 2.78Å; R23-F92 HydrophobicContact CB-CE2 4.37Å; R23-F92 HydrophobicContact CG-CE2 4.11Å; R23-N389 VanDerWaalsContact NH1-C 3.29Å; R23-N389 PolarHBondContact NH1-O 3.11Å
24E81.6Confident75.7Confident90 Ų9060.9 Ų60.942%0.42132%0.324SS..Hα-helixtrans-63.8-45.6177.5-170.5175.6179.600111.4G20 L22 M26 T27 L28G20-E24 WeakPolarHBondContact O-CB 3.37Å; G20-E24 PolarHBondContact O-N 2.96Å; L22-E24 VanDerWaalsContact C-N 3.33Å; L22-E24 PolarHBondContact O-N 2.91Å; E24-M26 PolarHBondContact O-N 2.79Å; E24-T27 WeakPolarHBondContact O-CB 3.45Å; E24-T27 PolarHBondContact O-N 3.37Å; E24-L28 WeakPolarHBondContact O-CG 3.27Å; E24-L28 PolarHBondContact O-N 3.02Å
25G87.8Confident78.1Confident28 Ų2857.3 Ų57.329%0.28930%0.3SS..Hα-helixtrans-58.5-47.8175.500000112.8H21 L22 T27 L28 L29H21-G25 PolarHBondContact O-N 3.47Å; L22-G25 PolarHBondContact O-N 3.13Å; G25-T27 VanDerWaalsContact C-N 3.33Å; G25-T27 PolarHBondContact O-N 2.8Å; G25-L28 PolarHBondContact O-N 3.15Å; G25-L29 WeakPolarHBondContact O-CG 3.48Å; G25-L29 PolarHBondContact O-N 3.3Å
26M89.1Confident80.3Confident6 Ų654.9 Ų54.93%0.0329%0.286CS..Hα-helixtrans-64.7-37.1176.7-73.4-56.8-58.100112.6L22 E24 L28 L29 K30 Y82 V89 F92 L93L22-M26 HydrophobicContact CD1-CG 4.25Å; L22-M26 HydrophobicContact CG-CG 4.41Å; L22-M26 WeakPolarHBondContact O-CB 3.43Å; L22-M26 WeakPolarHBondContact O-CG 3.09Å; L22-M26 PolarHBondContact O-N 3.23Å; E24-M26 PolarHBondContact O-N 2.79Å; M26-L28 VanDerWaalsContact C-N 3.34Å; M26-L29 PolarHBondContact O-N 2.97Å; M26-L29 HydrophobicContact SD-CD1 4.2Å; M26-K30 WeakPolarHBondContact O-CB 3.47Å; M26-K30 PolarHBondContact O-N 3.32Å; M26-Y82 HydrophobicContact CE-CD1 3.9Å; M26-Y82 HydrophobicContact CE-CD2 4.1Å; M26-Y82 HydrophobicContact CE-CE1 4.17Å; M26-Y82 HydrophobicContact CE-CE2 4.35Å; M26-Y82 HydrophobicContact CE-CG 3.86Å; M26-Y82 HydrophobicContact SD-CG 4.48Å; M26-V89 HydrophobicContact CE-CG1 3.84Å; M26-V89 HydrophobicContact SD-CG1 4.26Å; M26-V89 HydrophobicContact SD-CG2 3.96Å; M26-F92 HydrophobicContact CB-CD1 3.73Å; M26-F92 HydrophobicContact CB-CD2 4.36Å; M26-F92 HydrophobicContact CB-CE1 3.45Å; M26-F92 VanDerWaalsContact CB-CE1 3.45Å; M26-F92 HydrophobicContact CB-CE2 4.14Å; M26-F92 HydrophobicContact CB-CG 4.17Å; M26-F92 HydrophobicContact CB-CZ 3.68Å; M26-F92 HydrophobicContact CE-CD1 4.01Å; M26-F92 HydrophobicContact CE-CE1 4.28Å; M26-F92 HydrophobicContact CG-CD1 3.9Å; M26-F92 HydrophobicContact CG-CE1 4.16Å; M26-F92 HydrophobicContact CG-CG 4.13Å; M26-L93 HydrophobicContact CE-CD2 4.46Å
27T86.6Confident82.4Confident7 Ų749.9 Ų49.94%0.04326%0.26CS..Hα-helixtrans-62.2-43.4175.1-59.30000111R23 E24 G25 T31 T390 G391R23-T27 WeakPolarHBondContact O-CB 3.36Å; R23-T27 PolarHBondContact O-N 3.43Å; R23-T27 PolarHBondContact O-OG1 2.78Å; E24-T27 WeakPolarHBondContact O-CB 3.45Å; E24-T27 PolarHBondContact O-N 3.37Å; G25-T27 VanDerWaalsContact C-N 3.33Å; G25-T27 PolarHBondContact O-N 2.8Å; T27-T31 WeakPolarHBondContact O-CB 3.31Å; T27-T31 PolarHBondContact O-N 2.95Å; T27-T31 PolarHBondContact O-OG1 3.16Å; T27-T390 PolarHBondContact OG1-O 3.19Å; T27-G391 WeakPolarHBondContact CG2-O 3.31Å
28L89.2Confident84.4Confident51 Ų5143.8 Ų43.827%0.26723%0.232SC..Hα-helixtrans-65.5-46.8176.5-71.1172.4000111.4E24 G25 M26 K30 T31 E32 A279 H283E24-L28 WeakPolarHBondContact O-CG 3.27Å; E24-L28 PolarHBondContact O-N 3.02Å; G25-L28 PolarHBondContact O-N 3.15Å; M26-L28 VanDerWaalsContact C-N 3.34Å; L28-K30 PolarHBondContact O-N 3.07Å; L28-T31 CarbonylContact O-C 3.52Å; L28-T31 PolarHBondContact O-N 3.48Å; L28-T31 VanDerWaalsContact O-N 3.14Å; L28-E32 WeakPolarHBondContact O-CB 3.43Å; L28-E32 PolarHBondContact O-N 2.91Å; L28-A279 HydrophobicContact CD2-CB 4.01Å; L28-H283 HydrophobicContact CD2-CB 4.19Å
29L92.2Very high85.9Confident64 Ų6444.5 Ų44.534%0.33523%0.225SC..Hα-helixtrans-59.2-45.2177.5-71.1170.5000112G25 M26 T31 E32 F33 Y82G25-L29 WeakPolarHBondContact O-CG 3.48Å; G25-L29 PolarHBondContact O-N 3.3Å; M26-L29 PolarHBondContact O-N 2.97Å; M26-L29 HydrophobicContact SD-CD1 4.2Å; L29-T31 VanDerWaalsContact C-N 3.32Å; L29-T31 PolarHBondContact O-N 3.13Å; L29-E32 PolarHBondContact O-N 3.38Å; L29-F33 PolarHBondContact O-N 3.15Å; L29-Y82 HydrophobicContact CB-CD1 4.26Å; L29-Y82 HydrophobicContact CD1-CD1 4.48Å
30K90.3Very high87.3Confident10 Ų1040.9 Ų40.94%0.04321%0.208CC..Hα-helixtrans-66.1-34175.7-74.2-152.3147.2-174.30113M26 L28 A34 E62 Y82 L93 Y97 I392M26-K30 WeakPolarHBondContact O-CB 3.47Å; M26-K30 PolarHBondContact O-N 3.32Å; L28-K30 PolarHBondContact O-N 3.07Å; K30-A34 WeakPolarHBondContact O-CB 3.43Å; K30-A34 PolarHBondContact O-N 3.34Å; K30-E62 WeakPolarHBondContact CE-OE1 3.21Å; K30-E62 IonicContact NZ-OE1 3.93Å; K30-E62 PolarHBondContact NZ-OE1 3.36Å; K30-Y82 WeakPolarHBondContact CE-OH 3.35Å; K30-Y82 HydrophobicContact CG-CE1 4.25Å; K30-L93 HydrophobicContact CD-CD2 4.41Å; K30-L93 VanDerWaalsContact CE-CD2 3.42Å; K30-Y97 PolarHBondContact NZ-OH 3.5Å; K30-I392 HydrophobicContact CD-CD1 3.71Å; K30-I392 HydrophobicContact CD-CG1 4.13Å; K30-I392 HydrophobicContact CD-CG2 4.4Å
31T91Very high88.4Confident4 Ų439.3 Ų39.33%0.02519%0.191CC..Hα-helixtrans-70.7-37.9174.9-55.60000111.3T27 L28 L29 A34 L35 A279 I282T27-T31 WeakPolarHBondContact O-CB 3.31Å; T27-T31 PolarHBondContact O-N 2.95Å; T27-T31 PolarHBondContact O-OG1 3.16Å; L28-T31 CarbonylContact O-C 3.52Å; L28-T31 PolarHBondContact O-N 3.48Å; L28-T31 VanDerWaalsContact O-N 3.14Å; L29-T31 VanDerWaalsContact C-N 3.32Å; L29-T31 PolarHBondContact O-N 3.13Å; T31-A34 WeakPolarHBondContact O-CB 3.38Å; T31-A34 PolarHBondContact O-N 3.37Å; T31-L35 HydrophobicContact CG2-CD1 4.31Å; T31-L35 WeakPolarHBondContact O-CG 3.38Å; T31-L35 PolarHBondContact O-N 3.35Å; T31-A279 HydrophobicContact CG2-CB 3.92Å; T31-I282 HydrophobicContact CG2-CB 4.08Å; T31-I282 HydrophobicContact CG2-CG1 4.38Å; T31-I282 HydrophobicContact CG2-CG2 4.1Å
32E92.6Very high88.9Confident95 Ų9533.9 Ų33.944%0.44417%0.167SC..Hα-helixtrans-65.4-44.4176-167.660-148.600111L28 L29 A34 L35 R36 A279L28-E32 WeakPolarHBondContact O-CB 3.43Å; L28-E32 PolarHBondContact O-N 2.91Å; L29-E32 PolarHBondContact O-N 3.38Å; E32-A34 VanDerWaalsContact C-N 3.32Å; E32-A34 PolarHBondContact O-N 3.46Å; E32-L35 PolarHBondContact O-N 2.85Å; E32-R36 WeakPolarHBondContact O-CB 3.45Å; E32-R36 PolarHBondContact O-N 3.37Å; E32-A279 HydrophobicContact CB-CB 4.32Å; E32-A279 WeakPolarHBondContact OE2-CB 3.46Å
33F93.6Very high88.9Confident9 Ų935.3 Ų35.34%0.03919%0.185CC..Hα-helixtrans-56.6-46171.2-179.1-91.9000111.8L29 L35 R36 L37 P54 V57 L61 A79 L80 W316L29-F33 PolarHBondContact O-N 3.15Å; F33-L35 PolarHBondContact O-N 3.1Å; F33-R36 PolarHBondContact O-N 3.29Å; F33-L37 HydrophobicContact CE1-CD2 4.36Å; F33-L37 WeakPolarHBondContact O-CB 3.22Å; F33-L37 PolarHBondContact O-N 3.43Å; F33-P54 HydrophobicContact CD1-CB 4.3Å; F33-V57 HydrophobicContact CE1-CB 4.32Å; F33-V57 HydrophobicContact CE1-CG1 4.29Å; F33-V57 HydrophobicContact CZ-CB 4.44Å; F33-V57 HydrophobicContact CZ-CG1 3.95Å; F33-L61 HydrophobicContact CE2-CD1 4.17Å; F33-L61 HydrophobicContact CZ-CD1 4.07Å; F33-A79 WeakPolarHBondContact CD2-O 3.39Å; F33-L80 HydrophobicContact CD2-CD2 3.98Å; F33-L80 HydrophobicContact CE2-CD2 3.68Å; F33-L80 HydrophobicContact CE2-CG 4.46Å; F33-L80 HydrophobicContact CZ-CD2 4.1Å; F33-W316 HydrophobicContact CD2-CZ3 4.16Å; F33-W316 HydrophobicContact CE2-CE3 4.46Å; F33-W316 HydrophobicContact CE2-CH2 4.22Å; F33-W316 AromaticContact CE2-CZ3 3.53Å; F33-W316 HydrophobicContact CE2-CZ3 3.53Å; F33-W316 HydrophobicContact CZ-CH2 4.41Å; F33-W316 AromaticContact CZ-CZ3 3.95Å; F33-W316 HydrophobicContact CZ-CZ3 3.95Å
34A92.4Very high88.7Confident1 Ų135.6 Ų35.61%0.00820%0.202CC..Hα-helixtrans-59-44.6176.800000112.8K30 T31 E32 L37 Y38 P54 T393 F396K30-A34 WeakPolarHBondContact O-CB 3.43Å; K30-A34 PolarHBondContact O-N 3.34Å; T31-A34 WeakPolarHBondContact O-CB 3.38Å; T31-A34 PolarHBondContact O-N 3.37Å; E32-A34 VanDerWaalsContact C-N 3.32Å; E32-A34 PolarHBondContact O-N 3.46Å; A34-L37 PolarHBondContact O-N 3.34Å; A34-Y38 VanDerWaalsContact O-CB 3.29Å; A34-Y38 WeakPolarHBondContact O-CB 3.34Å; A34-Y38 PolarHBondContact O-N 2.61Å; A34-P54 HydrophobicContact CB-CB 3.53Å; A34-P54 HydrophobicContact CB-CG 3.34Å; A34-T393 HydrophobicContact CB-CG2 4.37Å; A34-F396 HydrophobicContact CB-CB 4.39Å
35L91.8Very high88.1Confident1 Ų134 Ų341%0.00519%0.193CC..Hα-helixtrans-66.5-45.6178.4-73171.2000111.6T31 E32 F33 L37 Y38 Q39 L277 A279 I282 F396T31-L35 HydrophobicContact CG2-CD1 4.31Å; T31-L35 WeakPolarHBondContact O-CG 3.38Å; T31-L35 PolarHBondContact O-N 3.35Å; E32-L35 PolarHBondContact O-N 2.85Å; F33-L35 PolarHBondContact O-N 3.1Å; L35-L37 VanDerWaalsContact C-N 3.3Å; L35-L37 PolarHBondContact O-N 2.91Å; L35-Y38 PolarHBondContact O-N 2.73Å; L35-Q39 WeakPolarHBondContact O-CB 3.49Å; L35-Q39 VanDerWaalsContact O-CG 3.23Å; L35-Q39 WeakPolarHBondContact O-CG 3.25Å; L35-Q39 PolarHBondContact O-N 3.34Å; L35-L277 HydrophobicContact CD2-CB 3.81Å; L35-L277 HydrophobicContact CD2-CD1 4.34Å; L35-A279 HydrophobicContact CD1-CB 4.5Å; L35-A279 VanDerWaalsContact CD1-N 3.27Å; L35-I282 HydrophobicContact CD1-CG1 4.42Å; L35-F396 HydrophobicContact CD2-CD1 4.41Å; L35-F396 HydrophobicContact CD2-CE1 3.66Å; L35-F396 HydrophobicContact CD2-CE2 3.9Å; L35-F396 HydrophobicContact CD2-CZ 3.36Å
36R92.9Very high86.8Confident84 Ų8438.6 Ų38.632%0.31721%0.21SC..Hα-helixtrans-59.1-42.9176.3-169.4-173-178.9176.33.2111.3E32 F33 S40 W316E32-R36 WeakPolarHBondContact O-CB 3.45Å; E32-R36 PolarHBondContact O-N 3.37Å; F33-R36 PolarHBondContact O-N 3.29Å; R36-S40 WeakPolarHBondContact O-CB 3.37Å; R36-S40 PolarHBondContact O-N 3.5Å; R36-S40 PolarHBondContact O-OG 3.38Å; R36-W316 HydrophobicContact CB-CZ2 4.22Å; R36-W316 HydrophobicContact CG-CD2 4.45Å; R36-W316 HydrophobicContact CG-CH2 4.42Å; R36-W316 HydrophobicContact CG-CZ2 3.73Å; R36-W316 VanDerWaalsContact CZ-CG 3.45Å; R36-W316 VanDerWaalsContact NH2-CA 3.32Å; R36-W316 VanDerWaalsContact NH2-CB 3.27Å; R36-W316 PolarHBondContact NH2-O 3.45Å
37L92.1Very high85.5Confident0 Ų043.5 Ų43.50%023%0.233CC..Hα-helixtrans-60.6-53.2175.1-173.359.7000111.7F33 A34 L35 Q39 S40 V41 I52 P54 V57 I312 W316F33-L37 HydrophobicContact CE1-CD2 4.36Å; F33-L37 WeakPolarHBondContact O-CB 3.22Å; F33-L37 PolarHBondContact O-N 3.43Å; A34-L37 PolarHBondContact O-N 3.34Å; L35-L37 VanDerWaalsContact C-N 3.3Å; L35-L37 PolarHBondContact O-N 2.91Å; L37-Q39 PolarHBondContact O-N 2.98Å; L37-S40 PolarHBondContact O-N 3.08Å; L37-V41 WeakPolarHBondContact O-CG2 3.31Å; L37-V41 PolarHBondContact O-N 3.47Å; L37-I52 HydrophobicContact CD1-CD1 3.7Å; L37-I52 HydrophobicContact CD2-CD1 3.73Å; L37-I52 HydrophobicContact CD2-CG1 3.82Å; L37-I52 HydrophobicContact CG-CD1 3.65Å; L37-I52 HydrophobicContact CG-CG1 4.2Å; L37-P54 HydrophobicContact CD2-CB 4.34Å; L37-P54 HydrophobicContact CD2-CG 4.33Å; L37-V57 HydrophobicContact CD1-CG1 4.27Å; L37-V57 HydrophobicContact CD2-CB 3.8Å; L37-V57 HydrophobicContact CD2-CG1 4.17Å; L37-V57 HydrophobicContact CD2-CG2 3.73Å; L37-I312 HydrophobicContact CD1-CD1 4.43Å; L37-I312 HydrophobicContact CD1-CG2 4.06Å; L37-W316 HydrophobicContact CB-CH2 3.8Å; L37-W316 HydrophobicContact CB-CZ2 4.24Å; L37-W316 HydrophobicContact CD1-CH2 3.73Å; L37-W316 HydrophobicContact CD1-CZ2 4.18Å; L37-W316 HydrophobicContact CG-CH2 4.35Å
38Y90.4Very high84.7Confident1 Ų145.7 Ų45.70%0.00425%0.246CC..Hα-helixtrans-56.4-48.3178.1167.5-96000111.8A34 L35 S40 V41 A42 F50 E274 F396 R398A34-Y38 VanDerWaalsContact O-CB 3.29Å; A34-Y38 WeakPolarHBondContact O-CB 3.34Å; A34-Y38 PolarHBondContact O-N 2.61Å; L35-Y38 PolarHBondContact O-N 2.73Å; Y38-S40 VanDerWaalsContact C-N 3.35Å; Y38-S40 PolarHBondContact O-N 3.21Å; Y38-V41 PolarHBondContact O-N 2.94Å; Y38-A42 WeakPolarHBondContact O-CB 3.44Å; Y38-A42 PolarHBondContact O-N 2.98Å; Y38-F50 AromaticContact CD2-CE2 3.7Å; Y38-F50 HydrophobicContact CD2-CE2 3.7Å; Y38-F50 AromaticContact CD2-CZ 3.48Å; Y38-F50 HydrophobicContact CD2-CZ 3.48Å; Y38-F50 VanDerWaalsContact CD2-CZ 3.48Å; Y38-F50 HydrophobicContact CE2-CE1 4.36Å; Y38-F50 HydrophobicContact CE2-CE2 4.05Å; Y38-F50 AromaticContact CE2-CZ 3.49Å; Y38-F50 HydrophobicContact CE2-CZ 3.49Å; Y38-F50 VanDerWaalsContact CE2-CZ 3.49Å; Y38-F50 HydrophobicContact CG-CZ 4.4Å; Y38-E274 HydrophobicContact CE1-CG 4.27Å; Y38-E274 VanDerWaalsContact OH-CD 3.25Å; Y38-E274 WeakPolarHBondContact OH-CG 3.23Å; Y38-E274 PolarHBondContact OH-OE1 3.45Å; Y38-F396 HydrophobicContact CD1-CD1 4.12Å; Y38-F396 AromaticContact CD1-CE1 3.92Å; Y38-F396 HydrophobicContact CD1-CE1 3.92Å; Y38-F396 AromaticContact CD2-CD1 3.76Å; Y38-F396 HydrophobicContact CD2-CD1 3.76Å; Y38-F396 HydrophobicContact CD2-CE1 4.21Å; Y38-F396 WeakPolarHBondContact CD2-O 3.5Å; Y38-F396 HydrophobicContact CE1-CE1 4.24Å; Y38-F396 HydrophobicContact CE2-CD1 4.38Å; Y38-F396 AromaticContact CG-CD1 3.6Å; Y38-F396 HydrophobicContact CG-CD1 3.6Å; Y38-F396 AromaticContact CG-CE1 3.89Å; Y38-F396 HydrophobicContact CG-CE1 3.89Å; Y38-R398 HydrophobicContact CE2-CB 4.1Å; Y38-R398 HydrophobicContact CE2-CG 4.22Å
39Q89.4Confident84.2Confident73 Ų7343.7 Ų43.734%0.34124%0.236SC..Hα-helixtrans-62.6-40.6179.4-73.7171.5-10.900111.9L35 L37 V41 A42 A43L35-Q39 WeakPolarHBondContact O-CB 3.49Å; L35-Q39 VanDerWaalsContact O-CG 3.23Å; L35-Q39 WeakPolarHBondContact O-CG 3.25Å; L35-Q39 PolarHBondContact O-N 3.34Å; L37-Q39 PolarHBondContact O-N 2.98Å; Q39-V41 VanDerWaalsContact C-N 3.34Å; Q39-V41 PolarHBondContact O-N 2.89Å; Q39-A42 PolarHBondContact O-N 2.95Å; Q39-A43 VanDerWaalsContact O-CB 3.31Å; Q39-A43 WeakPolarHBondContact O-CB 3.49Å; Q39-A43 PolarHBondContact O-N 3.48Å
40S90Very high83.8Confident26 Ų2640.7 Ų40.718%0.18222%0.22CC..Hα-helixtrans-64.1-40.8178.2-57.80000111.5R36 L37 Y38 C44 W316R36-S40 WeakPolarHBondContact O-CB 3.37Å; R36-S40 PolarHBondContact O-N 3.5Å; R36-S40 PolarHBondContact O-OG 3.38Å; L37-S40 PolarHBondContact O-N 3.08Å; Y38-S40 VanDerWaalsContact C-N 3.35Å; Y38-S40 PolarHBondContact O-N 3.21Å; S40-C44 PolarHBondContact O-N 2.82Å; S40-C44 PolarHBondContact O-SG 2.96Å; S40-W316 PolarHBondContact OG-NE1 3.41Å
41V87.9Confident83.4Confident4 Ų440.2 Ų40.22%0.02422%0.218CC..Hα-helixtrans-70.8-43.9175.71740000111.5L37 Y38 Q39 A43 C44 R45 F50 I52 F307 I312L37-V41 WeakPolarHBondContact O-CG2 3.31Å; L37-V41 PolarHBondContact O-N 3.47Å; Y38-V41 PolarHBondContact O-N 2.94Å; Q39-V41 VanDerWaalsContact C-N 3.34Å; Q39-V41 PolarHBondContact O-N 2.89Å; V41-A43 PolarHBondContact O-N 3.04Å; V41-C44 PolarHBondContact O-N 3.13Å; V41-R45 WeakPolarHBondContact O-CB 3.21Å; V41-R45 PolarHBondContact O-N 3.37Å; V41-F50 HydrophobicContact CB-CD2 4.42Å; V41-F50 HydrophobicContact CB-CE2 4.05Å; V41-F50 HydrophobicContact CB-CZ 4.2Å; V41-F50 HydrophobicContact CG1-CB 4.44Å; V41-F50 HydrophobicContact CG1-CD1 3.99Å; V41-F50 HydrophobicContact CG1-CD2 3.57Å; V41-F50 HydrophobicContact CG1-CE1 4.05Å; V41-F50 HydrophobicContact CG1-CE2 3.65Å; V41-F50 HydrophobicContact CG1-CG 3.74Å; V41-F50 HydrophobicContact CG1-CZ 3.88Å; V41-I52 HydrophobicContact CG2-CD1 3.67Å; V41-F307 HydrophobicContact CB-CE1 4.43Å; V41-F307 HydrophobicContact CG1-CD1 4.37Å; V41-F307 HydrophobicContact CG1-CE1 3.46Å; V41-F307 VanDerWaalsContact CG1-CE1 3.46Å; V41-F307 HydrophobicContact CG1-CZ 3.94Å; V41-F307 HydrophobicContact CG2-CD1 4.21Å; V41-F307 HydrophobicContact CG2-CE1 4.02Å; V41-I312 HydrophobicContact CG2-CD1 3.91Å
42A84.7Confident83.2Confident9 Ų940 Ų407%0.07422%0.217CC..Hα-helixtrans-61.4-41.8-179.800000112.1Y38 Q39 C44 R45 F50 R398Y38-A42 WeakPolarHBondContact O-CB 3.44Å; Y38-A42 PolarHBondContact O-N 2.98Å; Q39-A42 PolarHBondContact O-N 2.95Å; A42-C44 VanDerWaalsContact C-N 3.29Å; A42-C44 PolarHBondContact O-N 3.26Å; A42-R45 CarbonylContact O-C 3.52Å; A42-R45 VanDerWaalsContact O-C 3.24Å; A42-R45 PolarHBondContact O-N 3.41Å; A42-R45 VanDerWaalsContact O-N 3.08Å; A42-F50 HydrophobicContact CB-CE1 4.04Å; A42-F50 HydrophobicContact CB-CZ 4.04Å; A42-R398 PolarHBondContact O-NH2 3.23Å
43A82.1Confident83.1Confident73 Ų7335.5 Ų35.560%0.60320%0.196SC*.Hα-helixtrans-63.5-33.9177.200000112.7Q39 V41 R45Q39-A43 VanDerWaalsContact O-CB 3.31Å; Q39-A43 WeakPolarHBondContact O-CB 3.49Å; Q39-A43 PolarHBondContact O-N 3.48Å; V41-A43 PolarHBondContact O-N 3.04Å; A43-R45 VanDerWaalsContact C-N 3.28Å; A43-R45 PolarHBondContact O-N 3.27Å
44C74.1Confident83Confident111 Ų11135.2 Ų35.275%0.7520%0.195SC*.Hα-helixtrans-78.6-12.3175.8-62.90000113.1S40 V41 A42S40-C44 PolarHBondContact O-N 2.82Å; S40-C44 PolarHBondContact O-SG 2.96Å; V41-C44 PolarHBondContact O-N 3.13Å; A42-C44 VanDerWaalsContact C-N 3.29Å; A42-C44 PolarHBondContact O-N 3.26Å
45R68.9Low82.8Confident58 Ų5835.3 Ų35.322%0.21920%0.196CC..  trans-137.270-169.4-69-172.5173.4-1664.2111.1V41 A42 A43 E47 N305 R398V41-R45 WeakPolarHBondContact O-CB 3.21Å; V41-R45 PolarHBondContact O-N 3.37Å; A42-R45 CarbonylContact O-C 3.52Å; A42-R45 VanDerWaalsContact O-C 3.24Å; A42-R45 PolarHBondContact O-N 3.41Å; A42-R45 VanDerWaalsContact O-N 3.08Å; A43-R45 VanDerWaalsContact C-N 3.28Å; A43-R45 PolarHBondContact O-N 3.27Å; R45-E47 PolarHBondContact O-N 2.87Å; R45-N305 PolarHBondContact NH1-ND2 2.91Å; R45-R398 PolarHBondContact O-NH2 2.8Å
46N61.2Low82.7Confident124 Ų12435.2 Ų35.266%0.66320%0.195SC*.THydrogen-bonded Turntrans-58.9-15.9-173.7-81.1-12.3000115.5
47E61.9Low82.7Confident109 Ų10931.3 Ų31.351%0.50918%0.181SC..THydrogen-bonded Turntrans-1436.2-171.4-56.1-170.1155.300116R45 I402R45-E47 PolarHBondContact O-N 2.87Å; E47-I402 HydrophobicContact CB-CD1 4.33Å; E47-I402 WeakPolarHBondContact O-CD1 3.12Å; E47-I402 VanDerWaalsContact O-CG1 3.27Å; E47-I402 WeakPolarHBondContact O-CG1 3.04Å; E47-I402 WeakPolarHBondContact O-CG2 3.3Å
48T70.8Confident82.7Confident52 Ų5231.4 Ų31.432%0.31918%0.182SC..  trans-109.9141-177.662.60000112.4F50T48-F50 PolarHBondContact O-N 3.27Å
49N77.9Confident82.8Confident10 Ų1031.4 Ų31.45%0.05318%0.181CC..  trans-53.2136.5161.1-73-29.2000110.5I303 I399 Q400 I401 Y416N49-I303 HydrophobicContact CB-CD1 4.03Å; N49-I399 WeakPolarHBondContact OD1-CA 3.36Å; N49-Q400 WeakPolarHBondContact OD1-CA 3.37Å; N49-Q400 PolarHBondContact OD1-N 3.39Å; N49-Q400 PolarHBondContact OD1-O 2.87Å; N49-Q400 VanDerWaalsContact OD1-O 3.04Å; N49-I401 PolarHBondContact OD1-N 3.33Å; N49-Y416 WeakPolarHBondContact ND2-CD1 3.21Å; N49-Y416 WeakPolarHBondContact ND2-CE1 3.38Å; N49-Y416 VanDerWaalsContact ND2-CZ 3.28Å
50F82.9Confident82.9Confident0 Ų028 Ų280%017%0.166CC..BIsolated β-bridgetrans-143.6152.6170.269.1-95000111.6Y38 V41 A42 T48 I52 N305 F307 R398Y38-F50 AromaticContact CD2-CE2 3.7Å; Y38-F50 HydrophobicContact CD2-CE2 3.7Å; Y38-F50 AromaticContact CD2-CZ 3.48Å; Y38-F50 HydrophobicContact CD2-CZ 3.48Å; Y38-F50 VanDerWaalsContact CD2-CZ 3.48Å; Y38-F50 HydrophobicContact CE2-CE1 4.36Å; Y38-F50 HydrophobicContact CE2-CE2 4.05Å; Y38-F50 AromaticContact CE2-CZ 3.49Å; Y38-F50 HydrophobicContact CE2-CZ 3.49Å; Y38-F50 VanDerWaalsContact CE2-CZ 3.49Å; Y38-F50 HydrophobicContact CG-CZ 4.4Å; V41-F50 HydrophobicContact CB-CD2 4.42Å; V41-F50 HydrophobicContact CB-CE2 4.05Å; V41-F50 HydrophobicContact CB-CZ 4.2Å; V41-F50 HydrophobicContact CG1-CB 4.44Å; V41-F50 HydrophobicContact CG1-CD1 3.99Å; V41-F50 HydrophobicContact CG1-CD2 3.57Å; V41-F50 HydrophobicContact CG1-CE1 4.05Å; V41-F50 HydrophobicContact CG1-CE2 3.65Å; V41-F50 HydrophobicContact CG1-CG 3.74Å; V41-F50 HydrophobicContact CG1-CZ 3.88Å; A42-F50 HydrophobicContact CB-CE1 4.04Å; A42-F50 HydrophobicContact CB-CZ 4.04Å; T48-F50 PolarHBondContact O-N 3.27Å; F50-I52 HydrophobicContact CD2-CG2 4.19Å; F50-I52 HydrophobicContact CE2-CG2 3.99Å; F50-N305 WeakPolarHBondContact CA-OD1 3.38Å; F50-F307 HydrophobicContact CB-CZ 4.23Å; F50-F307 HydrophobicContact CD2-CZ 4.48Å; F50-R398 HydrophobicContact CD1-CG 4.36Å; F50-R398 HydrophobicContact CE1-CG 3.91Å; F50-R398 HydrophobicContact CZ-CG 4.4Å
51V83.6Confident83.2Confident0 Ų027 Ų270%016%0.158CC..  trans-121128.3168.666.30000108.6I303 N305 F307 A347 I349 F395 D397V51-I303 HydrophobicContact CB-CB 4.26Å; V51-I303 HydrophobicContact CB-CG2 3.83Å; V51-I303 HydrophobicContact CG1-CB 4.2Å; V51-I303 HydrophobicContact CG1-CG2 3.66Å; V51-N305 HydrophobicContact CG1-CB 4.21Å; V51-N305 PolarHBondContact N-OD1 2.78Å; V51-F307 WeakPolarHBondContact O-CE2 3.43Å; V51-A347 HydrophobicContact CG1-CB 3.89Å; V51-A347 VanDerWaalsContact CG1-O 3.27Å; V51-A347 WeakPolarHBondContact CG1-O 3.32Å; V51-A347 HydrophobicContact CG2-CB 4.12Å; V51-I349 HydrophobicContact CB-CG2 4.09Å; V51-I349 HydrophobicContact CG2-CB 4.05Å; V51-I349 HydrophobicContact CG2-CG2 3.6Å; V51-F395 HydrophobicContact CG2-CD1 3.58Å; V51-F395 HydrophobicContact CG2-CE1 3.69Å; V51-D397 VanDerWaalsContact C-OD1 3.32Å; V51-D397 WeakPolarHBondContact CA-OD1 3.38Å; V51-D397 WeakPolarHBondContact CG2-OD2 3.19Å
52I86.6Confident83.5Confident0 Ų026.8 Ų26.80%016%0.157CC..  trans-138.5141.1173.5-168.6158.7000109.4L37 V41 F50 P54 V57 F307 D397L37-I52 HydrophobicContact CD1-CD1 3.7Å; L37-I52 HydrophobicContact CD2-CD1 3.73Å; L37-I52 HydrophobicContact CD2-CG1 3.82Å; L37-I52 HydrophobicContact CG-CD1 3.65Å; L37-I52 HydrophobicContact CG-CG1 4.2Å; V41-I52 HydrophobicContact CG2-CD1 3.67Å; F50-I52 HydrophobicContact CD2-CG2 4.19Å; F50-I52 HydrophobicContact CE2-CG2 3.99Å; I52-P54 WeakPolarHBondContact O-CD 3.27Å; I52-V57 HydrophobicContact CD1-CG2 4.33Å; I52-V57 HydrophobicContact CG1-CG2 4.3Å; I52-F307 HydrophobicContact CB-CE2 3.87Å; I52-F307 HydrophobicContact CB-CZ 4.23Å; I52-F307 HydrophobicContact CD1-CD2 3.88Å; I52-F307 HydrophobicContact CD1-CE2 4Å; I52-F307 HydrophobicContact CD1-CG 4.16Å; I52-F307 HydrophobicContact CD1-CZ 4.38Å; I52-F307 HydrophobicContact CG1-CD2 4.19Å; I52-F307 HydrophobicContact CG1-CE2 4.05Å; I52-D397 PolarHBondContact N-OD1 2.89Å
53S89.9Confident83.9Confident0 Ų026.3 Ų26.30%015%0.154CC..  trans-104.7108.2176.7177.10000110.7A55 G56 V57 M192 H345 V394S53-A55 VanDerWaalsContact C-N 3.25Å; S53-A55 PolarHBondContact O-N 2.93Å; S53-G56 PolarHBondContact O-N 2.88Å; S53-G56 VanDerWaalsContact O-N 3.11Å; S53-G56 PolarHBondContact OG-N 3.37Å; S53-V57 WeakPolarHBondContact O-CG2 3.42Å; S53-V57 PolarHBondContact O-N 3.1Å; S53-M192 WeakPolarHBondContact OG-CG 3.26Å; S53-H345 PolarHBondContact N-NE2 3.42Å; S53-H345 VanDerWaalsContact N-NE2 3.14Å; S53-V394 WeakPolarHBondContact CA-O 3.36Å; S53-V394 WeakPolarHBondContact CB-O 3.5Å; S53-V394 PolarHBondContact OG-O 3.26Å
54P91.7Very high84.6Confident3 Ų322.9 Ų22.92%0.01913%0.125CC..Hα-helixtrans-53.8-41.6170.6-27.635.1000113.1F33 A34 L37 I52 G56 V57 S58 F396F33-P54 HydrophobicContact CD1-CB 4.3Å; A34-P54 HydrophobicContact CB-CB 3.53Å; A34-P54 HydrophobicContact CB-CG 3.34Å; L37-P54 HydrophobicContact CD2-CB 4.34Å; L37-P54 HydrophobicContact CD2-CG 4.33Å; I52-P54 WeakPolarHBondContact O-CD 3.27Å; P54-G56 VanDerWaalsContact C-N 3.34Å; P54-G56 PolarHBondContact O-N 3.04Å; P54-V57 PolarHBondContact O-N 3.13Å; P54-S58 WeakPolarHBondContact O-CB 3.3Å; P54-S58 PolarHBondContact O-N 2.71Å; P54-S58 PolarHBondContact O-OG 3.31Å; P54-F396 HydrophobicContact CG-CB 4.14Å
55A88.2Confident85.6Confident3 Ų317.7 Ų17.73%0.0259%0.09CC..Hα-helixtrans-63.5-40.3176.700000112S53 S58 L59 V394S53-A55 VanDerWaalsContact C-N 3.25Å; S53-A55 PolarHBondContact O-N 2.93Å; A55-S58 PolarHBondContact O-OG 3.24Å; A55-L59 WeakPolarHBondContact O-CB 3.26Å; A55-L59 PolarHBondContact O-N 3.13Å; A55-L59 VanDerWaalsContact O-N 3.15Å; A55-V394 HydrophobicContact CB-CG1 4.44Å
56G89.3Confident86.7Confident0 Ų016 Ų160%08%0.084CC..Hα-helixtrans-65.7-36.4174.700000113.5S53 P54 P60 S190S53-G56 PolarHBondContact O-N 2.88Å; S53-G56 VanDerWaalsContact O-N 3.11Å; S53-G56 PolarHBondContact OG-N 3.37Å; P54-G56 VanDerWaalsContact C-N 3.34Å; P54-G56 PolarHBondContact O-N 3.04Å; G56-P60 WeakPolarHBondContact O-CD 3.47Å; G56-S190 VanDerWaalsContact C-OG 3.28Å; G56-S190 WeakPolarHBondContact CA-OG 3.31Å; G56-S190 VanDerWaalsContact O-CB 3.3Å; G56-S190 WeakPolarHBondContact O-CB 3.44Å; G56-S190 PolarHBondContact O-OG 3.47Å
57V92.9Very high88.2Confident1 Ų110.2 Ų10.21%0.0065%0.053CC..Hα-helixtrans-77.8-35.7177.2178.80000112.3F33 L37 I52 S53 P54 P60 L61 L309 H345F33-V57 HydrophobicContact CE1-CB 4.32Å; F33-V57 HydrophobicContact CE1-CG1 4.29Å; F33-V57 HydrophobicContact CZ-CB 4.44Å; F33-V57 HydrophobicContact CZ-CG1 3.95Å; L37-V57 HydrophobicContact CD1-CG1 4.27Å; L37-V57 HydrophobicContact CD2-CB 3.8Å; L37-V57 HydrophobicContact CD2-CG1 4.17Å; L37-V57 HydrophobicContact CD2-CG2 3.73Å; I52-V57 HydrophobicContact CD1-CG2 4.33Å; I52-V57 HydrophobicContact CG1-CG2 4.3Å; S53-V57 WeakPolarHBondContact O-CG2 3.42Å; S53-V57 PolarHBondContact O-N 3.1Å; P54-V57 PolarHBondContact O-N 3.13Å; V57-P60 WeakPolarHBondContact O-CD 3.13Å; V57-P60 WeakPolarHBondContact O-CG 3.43Å; V57-L61 WeakPolarHBondContact O-CG 3.23Å; V57-L309 HydrophobicContact CB-CD2 4.48Å; V57-L309 HydrophobicContact CG1-CD1 3.97Å; V57-L309 HydrophobicContact CG1-CD2 3.88Å; V57-L309 HydrophobicContact CG2-CD1 4.3Å; V57-L309 HydrophobicContact CG2-CD2 3.73Å; V57-H345 HydrophobicContact CG2-CB 3.98Å
58S93.3Very high89.9Confident3 Ų35.3 Ų5.32%0.0213%0.031CC..Hα-helixtrans-69.5-36.6179.264.60000112.3P54 A55 L61 E62 Y97P54-S58 WeakPolarHBondContact O-CB 3.3Å; P54-S58 PolarHBondContact O-N 2.71Å; P54-S58 PolarHBondContact O-OG 3.31Å; A55-S58 PolarHBondContact O-OG 3.24Å; S58-L61 WeakPolarHBondContact O-CB 3.44Å; S58-L61 PolarHBondContact O-N 2.86Å; S58-L61 VanDerWaalsContact O-N 3.15Å; S58-E62 VanDerWaalsContact O-CG 3.27Å; S58-E62 WeakPolarHBondContact O-CG 3.45Å; S58-E62 PolarHBondContact O-N 3.1Å; S58-Y97 PolarHBondContact OG-OH 3.06Å
59L91.5Very high91Very high0 Ų07.2 Ų7.20%04%0.037CC..Hα-helixtrans-53.6-54.5-177178.463.3000114.3A55 L61 E62 I63 Y97 L111 C113 W134 A135A55-L59 WeakPolarHBondContact O-CB 3.26Å; A55-L59 PolarHBondContact O-N 3.13Å; A55-L59 VanDerWaalsContact O-N 3.15Å; L59-L61 VanDerWaalsContact C-N 3.27Å; L59-L61 PolarHBondContact O-N 3.15Å; L59-E62 WeakPolarHBondContact O-CB 3.42Å; L59-E62 PolarHBondContact O-N 3Å; L59-I63 HydrophobicContact CD1-CD1 4.18Å; L59-I63 HydrophobicContact CD1-CG1 4.49Å; L59-I63 HydrophobicContact CG-CD1 4.15Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 2.78Å; L59-Y97 HydrophobicContact CB-CE1 4.4Å; L59-Y97 HydrophobicContact CD1-CD1 4.45Å; L59-Y97 HydrophobicContact CD1-CD2 4.38Å; L59-Y97 HydrophobicContact CD1-CE1 4.06Å; L59-Y97 HydrophobicContact CD1-CE2 3.96Å; L59-L111 HydrophobicContact CD2-CD1 4.06Å; L59-L111 HydrophobicContact CD2-CD2 3.85Å; L59-L111 HydrophobicContact CD2-CG 3.82Å; L59-C113 HydrophobicContact CD2-CB 3.6Å; L59-C113 HydrophobicContact CG-CB 4.04Å; L59-W134 VanDerWaalsContact CD1-CD1 3.5Å; L59-A135 HydrophobicContact CD1-CB 3.74Å; L59-A135 HydrophobicContact CD2-CB 4.04Å
60P92.4Very high91.8Very high3 Ų39.5 Ų9.52%0.0196%0.063CC..Hα-helixtrans-63-32.2177.722.2-32.1000112.8G56 V57 I63 L64 L188G56-P60 WeakPolarHBondContact O-CD 3.47Å; V57-P60 WeakPolarHBondContact O-CD 3.13Å; V57-P60 WeakPolarHBondContact O-CG 3.43Å; P60-I63 PolarHBondContact O-N 3.16Å; P60-L64 WeakPolarHBondContact O-CB 3.24Å; P60-L64 VanDerWaalsContact O-CG 3.25Å; P60-L64 WeakPolarHBondContact O-CG 3.43Å; P60-L64 PolarHBondContact O-N 3.15Å; P60-L188 HydrophobicContact CB-CD1 4.16Å
61L95.4Very high92.5Very high3 Ų312.5 Ų12.52%0.0168%0.083CC..Hα-helixtrans-70.1-40177.5-57.6-180000111.6F33 V57 S58 L59 I63 L64 Q65 L76 L80 L313F33-L61 HydrophobicContact CE2-CD1 4.17Å; F33-L61 HydrophobicContact CZ-CD1 4.07Å; V57-L61 WeakPolarHBondContact O-CG 3.23Å; S58-L61 WeakPolarHBondContact O-CB 3.44Å; S58-L61 PolarHBondContact O-N 2.86Å; S58-L61 VanDerWaalsContact O-N 3.15Å; L59-L61 VanDerWaalsContact C-N 3.27Å; L59-L61 PolarHBondContact O-N 3.15Å; L61-I63 VanDerWaalsContact C-N 3.33Å; L61-L64 HydrophobicContact CD2-CD1 4.44Å; L61-L64 PolarHBondContact O-N 2.99Å; L61-Q65 WeakPolarHBondContact O-CG 3.35Å; L61-Q65 PolarHBondContact O-N 2.79Å; L61-L76 HydrophobicContact CB-CD2 4.32Å; L61-L76 HydrophobicContact CD2-CD2 3.82Å; L61-L80 HydrophobicContact CB-CD1 3.69Å; L61-L80 HydrophobicContact CB-CD2 4.25Å; L61-L80 HydrophobicContact CB-CG 4.18Å; L61-L80 HydrophobicContact CD1-CD2 4.24Å; L61-L80 HydrophobicContact CD1-CG 4.4Å; L61-L313 HydrophobicContact CD1-CD2 3.73Å; L61-L313 HydrophobicContact CD2-CD1 3.78Å; L61-L313 HydrophobicContact CD2-CD2 4.26Å
62E94.4Very high93.2Very high0 Ų012.5 Ų12.50%08%0.084CC..Hα-helixtrans-61.7-42.3173-70.5165.8-176.500111.2K30 S58 L59 Q65 L80 Y82 V84 L93 Y97 W134K30-E62 WeakPolarHBondContact CE-OE1 3.21Å; K30-E62 IonicContact NZ-OE1 3.93Å; K30-E62 PolarHBondContact NZ-OE1 3.36Å; S58-E62 VanDerWaalsContact O-CG 3.27Å; S58-E62 WeakPolarHBondContact O-CG 3.45Å; S58-E62 PolarHBondContact O-N 3.1Å; L59-E62 WeakPolarHBondContact O-CB 3.42Å; L59-E62 PolarHBondContact O-N 3Å; E62-Q65 PolarHBondContact O-N 3.21Å; E62-L80 HydrophobicContact CG-CD1 4.05Å; E62-Y82 HydrophobicContact CG-CE2 4.01Å; E62-Y82 PolarHBondContact OE1-OH 2.83Å; E62-V84 HydrophobicContact CB-CG1 3.81Å; E62-V84 HydrophobicContact CG-CG1 4.02Å; E62-L93 HydrophobicContact CG-CD1 4.27Å; E62-L93 WeakPolarHBondContact OE1-CD2 3.34Å; E62-Y97 PolarHBondContact OE1-OH 3.13Å; E62-Y97 WeakPolarHBondContact OE2-CE2 3.48Å; E62-Y97 PolarHBondContact OE2-OH 3.5Å; E62-W134 PolarHBondContact OE2-NE1 3.36Å
63I93.5Very high93.7Very high0 Ų013.1 Ų13.10%09%0.09CC..Hα-helixtrans-62.1-46.8175.3-68.7165.5000110.8L59 P60 L61 Q65 F66 C113 L115 F127 V131 W134 S137L59-I63 HydrophobicContact CD1-CD1 4.18Å; L59-I63 HydrophobicContact CD1-CG1 4.49Å; L59-I63 HydrophobicContact CG-CD1 4.15Å; L59-I63 WeakPolarHBondContact O-CG1 3.49Å; L59-I63 PolarHBondContact O-N 2.78Å; P60-I63 PolarHBondContact O-N 3.16Å; L61-I63 VanDerWaalsContact C-N 3.33Å; I63-Q65 VanDerWaalsContact C-N 3.26Å; I63-Q65 PolarHBondContact O-N 2.78Å; I63-F66 WeakPolarHBondContact O-CB 3.45Å; I63-F66 WeakPolarHBondContact O-CD2 3.25Å; I63-F66 PolarHBondContact O-N 2.99Å; I63-F66 VanDerWaalsContact O-N 3.1Å; I63-C113 HydrophobicContact CD1-CB 4.35Å; I63-L115 HydrophobicContact CD1-CD1 4.12Å; I63-L115 HydrophobicContact CG2-CD1 4.09Å; I63-L115 HydrophobicContact CG2-CD2 3.81Å; I63-F127 HydrophobicContact CG2-CE2 4.28Å; I63-F127 HydrophobicContact CG2-CZ 3.95Å; I63-F127 WeakPolarHBondContact O-CE2 3.33Å; I63-V131 HydrophobicContact CG2-CG2 3.75Å; I63-W134 HydrophobicContact CG1-CG 4.33Å; I63-S137 VanDerWaalsContact CD1-OG 3.26Å; I63-S137 WeakPolarHBondContact CD1-OG 3.46Å
64L95.1Very high94Very high0 Ų018.3 Ų18.30%011%0.114CC..Hα-helixtrans-61.5-34179.5-74.8170.7000112.7P60 L61 F66 G67 A68 L76 L186 L188 L321 I332 V340P60-L64 WeakPolarHBondContact O-CB 3.24Å; P60-L64 VanDerWaalsContact O-CG 3.25Å; P60-L64 WeakPolarHBondContact O-CG 3.43Å; P60-L64 PolarHBondContact O-N 3.15Å; L61-L64 HydrophobicContact CD2-CD1 4.44Å; L61-L64 PolarHBondContact O-N 2.99Å; L64-F66 PolarHBondContact O-N 2.99Å; L64-F66 VanDerWaalsContact O-N 3.14Å; L64-G67 PolarHBondContact O-N 3.42Å; L64-G67 VanDerWaalsContact O-N 3.1Å; L64-A68 VanDerWaalsContact O-CB 3.24Å; L64-A68 WeakPolarHBondContact O-CB 3.12Å; L64-A68 PolarHBondContact O-N 3.48Å; L64-L76 HydrophobicContact CB-CD1 3.81Å; L64-L186 HydrophobicContact CD2-CD2 4.02Å; L64-L188 HydrophobicContact CD1-CD1 3.47Å; L64-L188 VanDerWaalsContact CD1-CD1 3.47Å; L64-L188 HydrophobicContact CD2-CD1 4.37Å; L64-L188 HydrophobicContact CG-CD1 4.08Å; L64-L321 HydrophobicContact CD1-CD1 3.83Å; L64-L321 HydrophobicContact CD1-CD2 3.72Å; L64-L321 HydrophobicContact CD1-CG 4.35Å; L64-L321 HydrophobicContact CD2-CD1 4.41Å; L64-I332 HydrophobicContact CD2-CD1 3.96Å; L64-V340 HydrophobicContact CD1-CG2 4.15Å; L64-V340 HydrophobicContact CD2-CG2 4.07Å
65Q95.5Very high94.4Very high3 Ų319.8 Ų19.81%0.01412%0.121CC..Hα-helixtrans-58.6-25.5176.4-74.6-169.520.700112.8L61 E62 I63 G67 L76 Y82 T83 V84 H85L61-Q65 WeakPolarHBondContact O-CG 3.35Å; L61-Q65 PolarHBondContact O-N 2.79Å; E62-Q65 PolarHBondContact O-N 3.21Å; I63-Q65 VanDerWaalsContact C-N 3.26Å; I63-Q65 PolarHBondContact O-N 2.78Å; Q65-G67 VanDerWaalsContact C-N 3.25Å; Q65-G67 PolarHBondContact O-N 3.44Å; Q65-L76 HydrophobicContact CG-CB 3.75Å; Q65-L76 HydrophobicContact CG-CD1 4.24Å; Q65-L76 PolarHBondContact NE2-O 2.93Å; Q65-Y82 PolarHBondContact NE2-O 3.23Å; Q65-Y82 VanDerWaalsContact NE2-O 3.14Å; Q65-T83 VanDerWaalsContact OE1-CA 3.24Å; Q65-T83 PolarHBondContact OE1-OG1 3.26Å; Q65-V84 HydrophobicContact CB-CG2 3.48Å; Q65-V84 VanDerWaalsContact CB-CG2 3.48Å; Q65-H85 PolarHBondContact O-CE1 2.76Å; Q65-H85 PolarHBondContact O-NE2 3.19Å
66F92.8Very high94.8Very high23 Ų2319.7 Ų19.710%0.10112%0.12CC..THydrogen-bonded Turntrans-64-29.4177.1-69.9-48.8000114.3I63 L64 V84 F127 Q130 W134I63-F66 WeakPolarHBondContact O-CB 3.45Å; I63-F66 WeakPolarHBondContact O-CD2 3.25Å; I63-F66 PolarHBondContact O-N 2.99Å; I63-F66 VanDerWaalsContact O-N 3.1Å; L64-F66 PolarHBondContact O-N 2.99Å; L64-F66 VanDerWaalsContact O-N 3.14Å; F66-V84 HydrophobicContact CD1-CG2 3.69Å; F66-V84 HydrophobicContact CE1-CB 3.89Å; F66-V84 HydrophobicContact CE1-CG2 3.45Å; F66-V84 VanDerWaalsContact CE1-CG2 3.45Å; F66-V84 HydrophobicContact CG-CG2 4.4Å; F66-V84 HydrophobicContact CZ-CB 4.14Å; F66-V84 HydrophobicContact CZ-CG2 4Å; F66-F127 HydrophobicContact CB-CD2 4.01Å; F66-F127 HydrophobicContact CB-CE2 4.11Å; F66-Q130 VanDerWaalsContact CB-OE1 3.32Å; F66-Q130 HydrophobicContact CD2-CB 4.16Å; F66-Q130 HydrophobicContact CG-CB 4.27Å; F66-W134 HydrophobicContact CE1-CZ3 4.38Å; F66-W134 AromaticContact CE2-CD2 3.69Å; F66-W134 HydrophobicContact CE2-CD2 3.69Å; F66-W134 AromaticContact CE2-CE3 3.81Å; F66-W134 HydrophobicContact CE2-CE3 3.81Å; F66-W134 HydrophobicContact CE2-CG 4.03Å; F66-W134 HydrophobicContact CE2-CH2 4.49Å; F66-W134 HydrophobicContact CE2-CZ2 4.39Å; F66-W134 HydrophobicContact CE2-CZ3 4.23Å; F66-W134 AromaticContact CZ-CD2 3.77Å; F66-W134 HydrophobicContact CZ-CD2 3.77Å; F66-W134 AromaticContact CZ-CE2 3.97Å; F66-W134 AromaticContact CZ-CE3 3.51Å; F66-W134 HydrophobicContact CZ-CE3 3.51Å; F66-W134 AromaticContact CZ-CH2 3.65Å; F66-W134 HydrophobicContact CZ-CH2 3.65Å; F66-W134 AromaticContact CZ-CZ2 3.91Å; F66-W134 HydrophobicContact CZ-CZ2 3.91Å; F66-W134 AromaticContact CZ-CZ3 3.47Å; F66-W134 HydrophobicContact CZ-CZ3 3.47Å; F66-W134 VanDerWaalsContact CZ-CZ3 3.47Å
67G93.1Very high95.2Very high1 Ų120.5 Ų20.51%0.0113%0.126CC..THydrogen-bonded Turntrans-120.21.1-178.700000114.9L64 Q65 L329 G331L64-G67 PolarHBondContact O-N 3.42Å; L64-G67 VanDerWaalsContact O-N 3.1Å; Q65-G67 VanDerWaalsContact C-N 3.25Å; Q65-G67 PolarHBondContact O-N 3.44Å; G67-L329 CarbonylContact O-C 3.58Å; G67-L329 VanDerWaalsContact O-C 3.29Å; G67-L329 WeakPolarHBondContact O-CA 3.49Å; G67-G331 WeakPolarHBondContact O-CA 3.5Å; G67-G331 PolarHBondContact O-N 3.38Å
68A96.2Very high95.3Very high6 Ų625.2 Ų25.25%0.0515%0.151CC..  trans-87.8130.3176.700000111.2L64 T72 L76 N328 L329L64-A68 VanDerWaalsContact O-CB 3.24Å; L64-A68 WeakPolarHBondContact O-CB 3.12Å; L64-A68 PolarHBondContact O-N 3.48Å; A68-T72 HydrophobicContact CB-CG2 4.13Å; A68-L76 HydrophobicContact CB-CD1 3.59Å; A68-N328 WeakPolarHBondContact CA-O 3.47Å; A68-L329 HydrophobicContact CB-CD2 3.83Å
69E94.7Very high95.5Very high93 Ų9325.2 Ų25.244%0.43515%0.152SC..  trans-121.4165.6-177.4-68.5179.5-167.400111.4S71 T72 G73 N328E69-S71 PolarHBondContact O-N 2.82Å; E69-T72 PolarHBondContact O-N 2.81Å; E69-G73 PolarHBondContact O-N 3.05Å; E69-N328 WeakPolarHBondContact CB-ND2 3.37Å; E69-N328 PolarHBondContact N-O 2.89Å; E69-N328 WeakPolarHBondContact O-CB 3.42Å
70G95.4Very high95.6Very high58 Ų5825.4 Ų25.460%0.59815%0.153SC*.Hα-helixtrans57.1-136.1175.600000113.9T72 G73 Q74G70-T72 VanDerWaalsContact C-N 3.32Å; G70-T72 PolarHBondContact O-N 3.29Å; G70-G73 PolarHBondContact O-N 3.4Å; G70-Q74 PolarHBondContact O-N 3.46Å; G70-Q74 VanDerWaalsContact O-N 3.1Å
71S97.2Very high95.7Very high62 Ų6227.2 Ų27.243%0.43417%0.172SC..Hα-helixtrans-63.8-34.3-179.253.80000113E69 Q74 Q75 D320E69-S71 PolarHBondContact O-N 2.82Å; S71-Q74 PolarHBondContact O-N 3.44Å; S71-Q75 WeakPolarHBondContact O-CB 3Å; S71-Q75 VanDerWaalsContact O-CG 3.27Å; S71-Q75 WeakPolarHBondContact O-CG 3.2Å; S71-Q75 PolarHBondContact O-N 3.07Å; S71-D320 WeakPolarHBondContact CB-OD2 3.32Å; S71-D320 PolarHBondContact OG-OD2 3.47Å
72T97.4Very high95.7Very high1 Ų127.9 Ų27.91%0.00617%0.174CC..Hα-helixtrans-62.4-47.2176.8-53.10000111.1A68 E69 G70 Q75 L76 D320 L321 N328 L329A68-T72 HydrophobicContact CB-CG2 4.13Å; E69-T72 PolarHBondContact O-N 2.81Å; G70-T72 VanDerWaalsContact C-N 3.32Å; G70-T72 PolarHBondContact O-N 3.29Å; T72-Q75 PolarHBondContact O-N 2.93Å; T72-L76 WeakPolarHBondContact O-CG 3.11Å; T72-L76 PolarHBondContact O-N 3.14Å; T72-L76 VanDerWaalsContact O-N 3.16Å; T72-D320 WeakPolarHBondContact OG1-CB 3.27Å; T72-L321 HydrophobicContact CG2-CB 4.24Å; T72-L321 HydrophobicContact CG2-CD1 4.02Å; T72-N328 PolarHBondContact OG1-N 3.29Å; T72-L329 HydrophobicContact CG2-CD2 4.21Å
73G97.1Very high95.7Very high13 Ų1330.3 Ų30.313%0.13419%0.189CC..Hα-helixtrans-62.6-41.5175.700000112.6E69 G70 L76 A77E69-G73 PolarHBondContact O-N 3.05Å; G70-G73 PolarHBondContact O-N 3.4Å; G73-L76 PolarHBondContact O-N 3.1Å; G73-A77 PolarHBondContact O-N 3.34Å
74Q97.8Very high95.6Very high109 Ų10930.3 Ų30.351%0.50919%0.189SC..Hα-helixtrans-63.6-45.7177.7-172.762.45200112.1G70 S71 L76 A77 D78G70-Q74 PolarHBondContact O-N 3.46Å; G70-Q74 VanDerWaalsContact O-N 3.1Å; S71-Q74 PolarHBondContact O-N 3.44Å; Q74-L76 VanDerWaalsContact C-N 3.3Å; Q74-L76 PolarHBondContact O-N 3.06Å; Q74-A77 PolarHBondContact O-N 2.92Å; Q74-A77 VanDerWaalsContact O-N 3.15Å; Q74-D78 PolarHBondContact NE2-OD1 2.76Å; Q74-D78 WeakPolarHBondContact O-CB 3.35Å; Q74-D78 VanDerWaalsContact O-CG 3.22Å; Q74-D78 PolarHBondContact O-N 3.36Å
75Q98.2Very high95.4Very high34 Ų3435.6 Ų35.616%0.15921%0.214CC..Hα-helixtrans-59.6-40.9177.2-73.3172.66.600111.8S71 T72 D78 A79 G317 V318 D320S71-Q75 WeakPolarHBondContact O-CB 3Å; S71-Q75 VanDerWaalsContact O-CG 3.27Å; S71-Q75 WeakPolarHBondContact O-CG 3.2Å; S71-Q75 PolarHBondContact O-N 3.07Å; T72-Q75 PolarHBondContact O-N 2.93Å; Q75-D78 PolarHBondContact O-N 3.32Å; Q75-A79 VanDerWaalsContact O-CB 3.31Å; Q75-A79 WeakPolarHBondContact O-CB 3.27Å; Q75-A79 PolarHBondContact O-N 3.35Å; Q75-G317 VanDerWaalsContact CG-O 3.26Å; Q75-G317 WeakPolarHBondContact CG-O 3.07Å; Q75-G317 PolarHBondContact OE1-O 3.49Å; Q75-V318 HydrophobicContact CB-CG2 4.44Å; Q75-D320 PolarHBondContact NE2-OD1 3.32Å; Q75-D320 PolarHBondContact NE2-OD2 2.63Å
76L97.7Very high95.2Very high0 Ų037.9 Ų37.90%023%0.226CC..Hα-helixtrans-64.3-41.6175.3-73.5171.9000112.3L61 L64 Q65 A68 T72 G73 Q74 L80 V318 L321L61-L76 HydrophobicContact CB-CD2 4.32Å; L61-L76 HydrophobicContact CD2-CD2 3.82Å; L64-L76 HydrophobicContact CB-CD1 3.81Å; Q65-L76 HydrophobicContact CG-CB 3.75Å; Q65-L76 HydrophobicContact CG-CD1 4.24Å; Q65-L76 PolarHBondContact NE2-O 2.93Å; A68-L76 HydrophobicContact CB-CD1 3.59Å; T72-L76 WeakPolarHBondContact O-CG 3.11Å; T72-L76 PolarHBondContact O-N 3.14Å; T72-L76 VanDerWaalsContact O-N 3.16Å; G73-L76 PolarHBondContact O-N 3.1Å; Q74-L76 VanDerWaalsContact C-N 3.3Å; Q74-L76 PolarHBondContact O-N 3.06Å; L76-L80 PolarHBondContact O-N 2.95Å; L76-L80 VanDerWaalsContact O-N 3.13Å; L76-V318 HydrophobicContact CD2-CG1 4.03Å; L76-L321 HydrophobicContact CD2-CD2 4.14Å
77A96.8Very high95Very high17 Ų1741.9 Ų41.914%0.1425%0.245CC..Hα-helixtrans-66.2-42.6176.900000111.8G73 Q74 A79 L80 G81 Y82G73-A77 PolarHBondContact O-N 3.34Å; Q74-A77 PolarHBondContact O-N 2.92Å; Q74-A77 VanDerWaalsContact O-N 3.15Å; A77-A79 VanDerWaalsContact C-N 3.35Å; A77-A79 PolarHBondContact O-N 3.42Å; A77-L80 PolarHBondContact O-N 3.43Å; A77-G81 WeakPolarHBondContact O-CA 3.43Å; A77-G81 PolarHBondContact O-N 3.35Å; A77-Y82 PolarHBondContact O-N 3.2Å
78D96.4Very high94.9Very high100 Ų10049 Ų4954%0.53527%0.272SS..Hα-helixtrans-65.9-37.1177.6-67.5-18.7000111.9Q74 Q75Q74-D78 PolarHBondContact NE2-OD1 2.76Å; Q74-D78 WeakPolarHBondContact O-CB 3.35Å; Q74-D78 VanDerWaalsContact O-CG 3.22Å; Q74-D78 PolarHBondContact O-N 3.36Å; Q75-D78 PolarHBondContact O-N 3.32Å
79A95.9Very high94.6Very high4 Ų449.1 Ų49.13%0.03327%0.272CS..Hα-helixtrans-66.9-40176.200000112.6F33 Q75 A77 W316 V318F33-A79 WeakPolarHBondContact CD2-O 3.39Å; Q75-A79 VanDerWaalsContact O-CB 3.31Å; Q75-A79 WeakPolarHBondContact O-CB 3.27Å; Q75-A79 PolarHBondContact O-N 3.35Å; A77-A79 VanDerWaalsContact C-N 3.35Å; A77-A79 PolarHBondContact O-N 3.42Å; A79-W316 HydrophobicContact CB-CE3 4.46Å; A79-V318 HydrophobicContact CB-CG2 3.45Å; A79-V318 VanDerWaalsContact CB-CG2 3.45Å
80L94.7Very high94.3Very high4 Ų446.6 Ų46.62%0.02126%0.259CS..Hα-helixtrans-81.4-25.2178.4-75.3167000113F33 L61 E62 L76 A77 Y82F33-L80 HydrophobicContact CD2-CD2 3.98Å; F33-L80 HydrophobicContact CE2-CD2 3.68Å; F33-L80 HydrophobicContact CE2-CG 4.46Å; F33-L80 HydrophobicContact CZ-CD2 4.1Å; L61-L80 HydrophobicContact CB-CD1 3.69Å; L61-L80 HydrophobicContact CB-CD2 4.25Å; L61-L80 HydrophobicContact CB-CG 4.18Å; L61-L80 HydrophobicContact CD1-CD2 4.24Å; L61-L80 HydrophobicContact CD1-CG 4.4Å; E62-L80 HydrophobicContact CG-CD1 4.05Å; L76-L80 PolarHBondContact O-N 2.95Å; L76-L80 VanDerWaalsContact O-N 3.13Å; A77-L80 PolarHBondContact O-N 3.43Å; L80-Y82 HydrophobicContact CB-CD1 4.25Å; L80-Y82 HydrophobicContact CB-CE1 4.03Å; L80-Y82 HydrophobicContact CB-CE2 4.33Å; L80-Y82 HydrophobicContact CD1-CE2 4.47Å; L80-Y82 HydrophobicContact CD2-CE1 4.43Å; L80-Y82 WeakPolarHBondContact O-CD1 3.41Å; L80-Y82 VanDerWaalsContact O-CE1 3.29Å; L80-Y82 WeakPolarHBondContact O-CE1 3.47Å; L80-Y82 PolarHBondContact O-N 3.49Å
81G94.9Very high94Very high41 Ų4147.9 Ų47.942%0.42325%0.253SS..THydrogen-bonded Turntrans78.15.2-173.100000114.1A77A77-G81 WeakPolarHBondContact O-CA 3.43Å; A77-G81 PolarHBondContact O-N 3.35Å
82Y94.6Very high93.5Very high16 Ų1645.7 Ų45.76%0.06324%0.236CC..SBendtrans-152.216417756.9-92.7000110.9M26 L29 K30 E62 Q65 A77 L80 V89 L93M26-Y82 HydrophobicContact CE-CD1 3.9Å; M26-Y82 HydrophobicContact CE-CD2 4.1Å; M26-Y82 HydrophobicContact CE-CE1 4.17Å; M26-Y82 HydrophobicContact CE-CE2 4.35Å; M26-Y82 HydrophobicContact CE-CG 3.86Å; M26-Y82 HydrophobicContact SD-CG 4.48Å; L29-Y82 HydrophobicContact CB-CD1 4.26Å; L29-Y82 HydrophobicContact CD1-CD1 4.48Å; K30-Y82 WeakPolarHBondContact CE-OH 3.35Å; K30-Y82 HydrophobicContact CG-CE1 4.25Å; E62-Y82 HydrophobicContact CG-CE2 4.01Å; E62-Y82 PolarHBondContact OE1-OH 2.83Å; Q65-Y82 PolarHBondContact NE2-O 3.23Å; Q65-Y82 VanDerWaalsContact NE2-O 3.14Å; A77-Y82 PolarHBondContact O-N 3.2Å; L80-Y82 HydrophobicContact CB-CD1 4.25Å; L80-Y82 HydrophobicContact CB-CE1 4.03Å; L80-Y82 HydrophobicContact CB-CE2 4.33Å; L80-Y82 HydrophobicContact CD1-CE2 4.47Å; L80-Y82 HydrophobicContact CD2-CE1 4.43Å; L80-Y82 WeakPolarHBondContact O-CD1 3.41Å; L80-Y82 VanDerWaalsContact O-CE1 3.29Å; L80-Y82 WeakPolarHBondContact O-CE1 3.47Å; L80-Y82 PolarHBondContact O-N 3.49Å; Y82-V89 HydrophobicContact CD2-CG1 3.72Å; Y82-V89 HydrophobicContact CE2-CG1 4.38Å; Y82-V89 HydrophobicContact CG-CG1 4.37Å; Y82-L93 HydrophobicContact CD2-CD1 4.46Å; Y82-L93 HydrophobicContact CE2-CD1 3.85Å; Y82-L93 HydrophobicContact CE2-CD2 4.45Å
83T94.3Very high93Very high51 Ų5145.7 Ų45.731%0.31324%0.235SC..  trans-114.6135.9174.1-179.70000111.7Q65 H85 V89Q65-T83 VanDerWaalsContact OE1-CA 3.24Å; Q65-T83 PolarHBondContact OE1-OG1 3.26Å; T83-H85 PolarHBondContact O-N 2.96Å; T83-H85 PolarHBondContact OG1-CD2 2.81Å; T83-H85 PolarHBondContact OG1-N 2.87Å; T83-H85 VanDerWaalsContact OG1-N 3.1Å; T83-V89 WeakPolarHBondContact O-CB 3.3Å; T83-V89 WeakPolarHBondContact O-CG1 3.41Å
84V91.7Very high92.4Very high0 Ų048.3 Ų48.30%024%0.244CC..THydrogen-bonded Turntrans-70.7-7.4170.8-550000111.9E62 Q65 F66 D86 K90 L93 W134E62-V84 HydrophobicContact CB-CG1 3.81Å; E62-V84 HydrophobicContact CG-CG1 4.02Å; Q65-V84 HydrophobicContact CB-CG2 3.48Å; Q65-V84 VanDerWaalsContact CB-CG2 3.48Å; F66-V84 HydrophobicContact CD1-CG2 3.69Å; F66-V84 HydrophobicContact CE1-CB 3.89Å; F66-V84 HydrophobicContact CE1-CG2 3.45Å; F66-V84 VanDerWaalsContact CE1-CG2 3.45Å; F66-V84 HydrophobicContact CG-CG2 4.4Å; F66-V84 HydrophobicContact CZ-CB 4.14Å; F66-V84 HydrophobicContact CZ-CG2 4Å; V84-D86 VanDerWaalsContact C-N 3.32Å; V84-K90 WeakPolarHBondContact O-CD 3.08Å; V84-K90 WeakPolarHBondContact O-CE 3.31Å; V84-K90 WeakPolarHBondContact O-CG 3.21Å; V84-L93 HydrophobicContact CG1-CD1 4.05Å; V84-W134 HydrophobicContact CG1-CZ2 4.28Å
85H90.2Very high91.7Very high111 Ų11145.4 Ų45.451%0.51424%0.239SC..THydrogen-bonded Turntrans-75.9-18.4176.9-58-60.4000113.2Q65 T83 Q87Q65-H85 PolarHBondContact O-CE1 2.76Å; Q65-H85 PolarHBondContact O-NE2 3.19Å; T83-H85 PolarHBondContact O-N 2.96Å; T83-H85 PolarHBondContact OG1-CD2 2.81Å; T83-H85 PolarHBondContact OG1-N 2.87Å; T83-H85 VanDerWaalsContact OG1-N 3.1Å; H85-Q87 PolarHBondContact O-N 2.91Å
86D91.5Very high90.9Very high51 Ų5143.9 Ų43.927%0.27323%0.231SC..SBendtrans-75.1119.3170.1-175.3-29.6000109.4V84 R88 V89 K90V84-D86 VanDerWaalsContact C-N 3.32Å; D86-R88 PolarHBondContact O-N 3.13Å; D86-R88 WeakPolarHBondContact OD1-CB 3.29Å; D86-R88 PolarHBondContact OD1-N 3.13Å; D86-R88 IonicContact OD1-NE 3.81Å; D86-R88 PolarHBondContact OD1-NE 2.91Å; D86-R88 IonicContact OD2-CZ 3.33Å; D86-R88 IonicContact OD2-NE 2.9Å; D86-R88 PolarHBondContact OD2-NE 2.82Å; D86-R88 IonicContact OD2-NH2 3.32Å; D86-R88 PolarHBondContact OD2-NH2 2.86Å; D86-V89 HydrophobicContact CB-CB 4.17Å; D86-V89 HydrophobicContact CB-CG2 3.86Å; D86-V89 WeakPolarHBondContact O-CA 2.98Å; D86-V89 WeakPolarHBondContact O-CB 3.27Å; D86-V89 PolarHBondContact O-N 3.09Å; D86-K90 PolarHBondContact O-N 2.72Å
87Q89.6Confident90Very high107 Ų10744.1 Ų44.150%0.523%0.232SC..Hα-helixtrans-55.8-36.3-178.8-171.76040.800112.6H85 V89 K90 D91H85-Q87 PolarHBondContact O-N 2.91Å; Q87-V89 VanDerWaalsContact C-N 3.32Å; Q87-V89 PolarHBondContact O-N 3.29Å; Q87-K90 WeakPolarHBondContact O-CB 3.5Å; Q87-K90 PolarHBondContact O-N 2.92Å; Q87-D91 PolarHBondContact NE2-OD1 3.21Å; Q87-D91 PolarHBondContact O-N 3.12Å
88R90Very high89.1Confident151 Ų15146.6 Ų46.657%0.5725%0.253SS*.Hα-helixtrans-68.4-34.9179.6-59.6174.5-67178.21.1111.7L22 D86 F92L22-R88 HydrophobicContact CD2-CB 3.61Å; L22-R88 HydrophobicContact CD2-CG 4.49Å; D86-R88 PolarHBondContact O-N 3.13Å; D86-R88 WeakPolarHBondContact OD1-CB 3.29Å; D86-R88 PolarHBondContact OD1-N 3.13Å; D86-R88 IonicContact OD1-NE 3.81Å; D86-R88 PolarHBondContact OD1-NE 2.91Å; D86-R88 IonicContact OD2-CZ 3.33Å; D86-R88 IonicContact OD2-NE 2.9Å; D86-R88 PolarHBondContact OD2-NE 2.82Å; D86-R88 IonicContact OD2-NH2 3.32Å; D86-R88 PolarHBondContact OD2-NH2 2.86Å; R88-F92 WeakPolarHBondContact O-CB 3.44Å; R88-F92 PolarHBondContact O-N 3.45Å; R88-F92 VanDerWaalsContact O-N 3.12Å
89V91Very high87.9Confident9 Ų944.2 Ų44.26%0.05524%0.242CC..Hα-helixtrans-66.7-43.9172.51750000109.4M26 Y82 T83 D86 Q87 D91 F92 L93M26-V89 HydrophobicContact CE-CG1 3.84Å; M26-V89 HydrophobicContact SD-CG1 4.26Å; M26-V89 HydrophobicContact SD-CG2 3.96Å; Y82-V89 HydrophobicContact CD2-CG1 3.72Å; Y82-V89 HydrophobicContact CE2-CG1 4.38Å; Y82-V89 HydrophobicContact CG-CG1 4.37Å; T83-V89 WeakPolarHBondContact O-CB 3.3Å; T83-V89 WeakPolarHBondContact O-CG1 3.41Å; D86-V89 HydrophobicContact CB-CB 4.17Å; D86-V89 HydrophobicContact CB-CG2 3.86Å; D86-V89 WeakPolarHBondContact O-CA 2.98Å; D86-V89 WeakPolarHBondContact O-CB 3.27Å; D86-V89 PolarHBondContact O-N 3.09Å; Q87-V89 VanDerWaalsContact C-N 3.32Å; Q87-V89 PolarHBondContact O-N 3.29Å; V89-D91 PolarHBondContact O-N 3.29Å; V89-F92 PolarHBondContact O-N 3.16Å; V89-L93 HydrophobicContact CG1-CD1 3.75Å; V89-L93 HydrophobicContact CG1-CG 4.21Å; V89-L93 WeakPolarHBondContact O-CB 3.23Å; V89-L93 VanDerWaalsContact O-CG 3.24Å; V89-L93 WeakPolarHBondContact O-CG 3.38Å; V89-L93 PolarHBondContact O-N 2.72Å
90K89.2Confident86.6Confident39 Ų3944.3 Ų44.317%0.1724%0.242CC..Hα-helixtrans-57.8-50.2175.3-62.4-173-173-179.60112.5V84 D86 Q87 F92 L93 H94 W134V84-K90 WeakPolarHBondContact O-CD 3.08Å; V84-K90 WeakPolarHBondContact O-CE 3.31Å; V84-K90 WeakPolarHBondContact O-CG 3.21Å; D86-K90 PolarHBondContact O-N 2.72Å; Q87-K90 WeakPolarHBondContact O-CB 3.5Å; Q87-K90 PolarHBondContact O-N 2.92Å; K90-F92 VanDerWaalsContact C-N 3.27Å; K90-F92 PolarHBondContact O-N 3.43Å; K90-L93 PolarHBondContact O-N 3.1Å; K90-L93 VanDerWaalsContact O-N 3.15Å; K90-H94 WeakPolarHBondContact O-CB 3.29Å; K90-H94 PolarHBondContact O-CD2 3.32Å; K90-H94 PolarHBondContact O-N 3.05Å; K90-W134 HydrophobicContact CB-CH2 4.05Å; K90-W134 HydrophobicContact CB-CZ3 4.21Å; K90-W134 HydrophobicContact CG-CH2 4.08Å; K90-W134 HydrophobicContact CG-CZ3 4.32Å
91D87.6Confident84.9Confident86 Ų8646.7 Ų46.746%0.4626%0.258SS..Hα-helixtrans-60.4-40.6-178.1-63.7-17.9000111Q87 V89 A95Q87-D91 PolarHBondContact NE2-OD1 3.21Å; Q87-D91 PolarHBondContact O-N 3.12Å; V89-D91 PolarHBondContact O-N 3.29Å; D91-A95 WeakPolarHBondContact O-CB 3.47Å; D91-A95 PolarHBondContact O-N 2.95Å
92F87.4Confident83Confident16 Ų1647.8 Ų47.87%0.0726%0.257CS..Hα-helixtrans-61.8-50.8173.5177-94.1000111.7R23 M26 R88 V89 K90 H94 A95 V96 I392R23-F92 HydrophobicContact CB-CE2 4.37Å; R23-F92 HydrophobicContact CG-CE2 4.11Å; M26-F92 HydrophobicContact CB-CD1 3.73Å; M26-F92 HydrophobicContact CB-CD2 4.36Å; M26-F92 HydrophobicContact CB-CE1 3.45Å; M26-F92 VanDerWaalsContact CB-CE1 3.45Å; M26-F92 HydrophobicContact CB-CE2 4.14Å; M26-F92 HydrophobicContact CB-CG 4.17Å; M26-F92 HydrophobicContact CB-CZ 3.68Å; M26-F92 HydrophobicContact CE-CD1 4.01Å; M26-F92 HydrophobicContact CE-CE1 4.28Å; M26-F92 HydrophobicContact CG-CD1 3.9Å; M26-F92 HydrophobicContact CG-CE1 4.16Å; M26-F92 HydrophobicContact CG-CG 4.13Å; R88-F92 WeakPolarHBondContact O-CB 3.44Å; R88-F92 PolarHBondContact O-N 3.45Å; R88-F92 VanDerWaalsContact O-N 3.12Å; V89-F92 PolarHBondContact O-N 3.16Å; K90-F92 VanDerWaalsContact C-N 3.27Å; K90-F92 PolarHBondContact O-N 3.43Å; F92-H94 PolarHBondContact O-N 2.82Å; F92-A95 PolarHBondContact O-N 2.83Å; F92-V96 HydrophobicContact CD1-CG2 4.16Å; F92-V96 HydrophobicContact CE1-CG2 3.81Å; F92-V96 HydrophobicContact CE2-CG2 4.41Å; F92-V96 HydrophobicContact CZ-CG2 3.95Å; F92-V96 WeakPolarHBondContact O-CG2 3.4Å; F92-V96 PolarHBondContact O-N 2.76Å; F92-I392 HydrophobicContact CE1-CD1 3.8Å; F92-I392 HydrophobicContact CZ-CD1 3.87Å; F92-I392 HydrophobicContact CZ-CG1 4.33Å
93L87.8Confident81Confident0 Ų051.9 Ų51.90%029%0.287CS..Hα-helixtrans-63-40-179.3-68.2175.1000112.2M26 K30 E62 Y82 V84 V89 K90 V96 Y97 W134M26-L93 HydrophobicContact CE-CD2 4.46Å; K30-L93 HydrophobicContact CD-CD2 4.41Å; K30-L93 VanDerWaalsContact CE-CD2 3.42Å; E62-L93 HydrophobicContact CG-CD1 4.27Å; E62-L93 WeakPolarHBondContact OE1-CD2 3.34Å; Y82-L93 HydrophobicContact CD2-CD1 4.46Å; Y82-L93 HydrophobicContact CE2-CD1 3.85Å; Y82-L93 HydrophobicContact CE2-CD2 4.45Å; V84-L93 HydrophobicContact CG1-CD1 4.05Å; V89-L93 HydrophobicContact CG1-CD1 3.75Å; V89-L93 HydrophobicContact CG1-CG 4.21Å; V89-L93 WeakPolarHBondContact O-CB 3.23Å; V89-L93 VanDerWaalsContact O-CG 3.24Å; V89-L93 WeakPolarHBondContact O-CG 3.38Å; V89-L93 PolarHBondContact O-N 2.72Å; K90-L93 PolarHBondContact O-N 3.1Å; K90-L93 VanDerWaalsContact O-N 3.15Å; L93-V96 WeakPolarHBondContact O-CB 3.42Å; L93-V96 PolarHBondContact O-N 2.64Å; L93-Y97 HydrophobicContact CB-CD2 4.4Å; L93-Y97 HydrophobicContact CB-CE2 4.17Å; L93-Y97 HydrophobicContact CD2-CE2 4.37Å; L93-Y97 WeakPolarHBondContact O-CD2 3.46Å; L93-Y97 PolarHBondContact O-N 3.07Å; L93-W134 HydrophobicContact CB-CH2 4.04Å; L93-W134 HydrophobicContact CB-CZ2 3.76Å; L93-W134 HydrophobicContact CD1-CH2 4.23Å; L93-W134 HydrophobicContact CD1-CZ2 3.73Å; L93-W134 HydrophobicContact CG-CZ2 4.39Å
94H84.3Confident79Confident69 Ų6951.2 Ų51.232%0.31929%0.285SS..Hα-helixtrans-59.9-46.9173.1-90.2-71.7000111.9K90 F92 V96 Y97 A98 W133 W134K90-H94 WeakPolarHBondContact O-CB 3.29Å; K90-H94 PolarHBondContact O-CD2 3.32Å; K90-H94 PolarHBondContact O-N 3.05Å; F92-H94 PolarHBondContact O-N 2.82Å; H94-V96 PolarHBondContact O-N 3.19Å; H94-Y97 PolarHBondContact O-N 3.21Å; H94-A98 WeakPolarHBondContact O-CB 3.49Å; H94-A98 PolarHBondContact O-N 3.12Å; H94-W133 PolarHBondContact CE1-O 3.01Å; H94-W134 AromaticContact CD2-CE3 3.94Å; H94-W134 AromaticContact CD2-CZ3 3.43Å; H94-W134 VanDerWaalsContact CD2-CZ3 3.43Å; H94-W134 WeakPolarHBondContact CD2-CZ3 3.38Å; H94-W134 AromaticContact CE1-CE3 3.6Å; H94-W134 AromaticContact CE1-CZ3 3.9Å; H94-W134 AromaticContact NE2-CE3 3.32Å; H94-W134 VanDerWaalsContact NE2-CE3 3.32Å; H94-W134 AromaticContact NE2-CZ3 3.18Å; H94-W134 WeakPolarHBondContact NE2-CZ3 3.32Å
95A82.2Confident77.3Confident48 Ų4859.6 Ų59.640%0.39732%0.324SS..Hα-helixtrans-60.1-35.9177.500000111.8D91 F92 T99D91-A95 WeakPolarHBondContact O-CB 3.47Å; D91-A95 PolarHBondContact O-N 2.95Å; F92-A95 PolarHBondContact O-N 2.83Å; A95-T99 WeakPolarHBondContact O-CG2 3.46Å
96V80.9Confident75.8Confident1 Ų155.3 Ų55.31%0.00631%0.31CS..Hα-helixtrans-67.3-55.7177.2167.10000111F92 L93 H94 A98 T99 I100 T390 I392F92-V96 HydrophobicContact CD1-CG2 4.16Å; F92-V96 HydrophobicContact CE1-CG2 3.81Å; F92-V96 HydrophobicContact CE2-CG2 4.41Å; F92-V96 HydrophobicContact CZ-CG2 3.95Å; F92-V96 WeakPolarHBondContact O-CG2 3.4Å; F92-V96 PolarHBondContact O-N 2.76Å; L93-V96 WeakPolarHBondContact O-CB 3.42Å; L93-V96 PolarHBondContact O-N 2.64Å; H94-V96 PolarHBondContact O-N 3.19Å; V96-A98 PolarHBondContact O-N 3.45Å; V96-T99 PolarHBondContact O-N 2.9Å; V96-T99 PolarHBondContact O-OG1 3.4Å; V96-I100 HydrophobicContact CG1-CD1 3.78Å; V96-I100 PolarHBondContact O-N 3.01Å; V96-T390 HydrophobicContact CG2-CG2 3.82Å; V96-I392 HydrophobicContact CB-CD1 3.76Å; V96-I392 HydrophobicContact CG1-CD1 3.27Å; V96-I392 HydrophobicContact CG2-CD1 3.12Å; V96-I392 HydrophobicContact CG2-CG1 4.41Å
97Y80.3Confident74.5Confident5 Ų553 Ų532%0.0230%0.298CS..Hα-helixtrans-70.8-14.4-177.8-64-59.3000113.4K30 S58 L59 E62 L93 H94 T99 I100 P101 L111 W134 A135K30-Y97 PolarHBondContact NZ-OH 3.5Å; S58-Y97 PolarHBondContact OG-OH 3.06Å; L59-Y97 HydrophobicContact CB-CE1 4.4Å; L59-Y97 HydrophobicContact CD1-CD1 4.45Å; L59-Y97 HydrophobicContact CD1-CD2 4.38Å; L59-Y97 HydrophobicContact CD1-CE1 4.06Å; L59-Y97 HydrophobicContact CD1-CE2 3.96Å; E62-Y97 PolarHBondContact OE1-OH 3.13Å; E62-Y97 WeakPolarHBondContact OE2-CE2 3.48Å; E62-Y97 PolarHBondContact OE2-OH 3.5Å; L93-Y97 HydrophobicContact CB-CD2 4.4Å; L93-Y97 HydrophobicContact CB-CE2 4.17Å; L93-Y97 HydrophobicContact CD2-CE2 4.37Å; L93-Y97 WeakPolarHBondContact O-CD2 3.46Å; L93-Y97 PolarHBondContact O-N 3.07Å; H94-Y97 PolarHBondContact O-N 3.21Å; Y97-T99 VanDerWaalsContact C-N 3.3Å; Y97-I100 HydrophobicContact CD1-CD1 3.71Å; Y97-I100 HydrophobicContact CE1-CD1 4.04Å; Y97-P101 WeakPolarHBondContact O-CD 3.43Å; Y97-P101 WeakPolarHBondContact O-CG 3.34Å; Y97-L111 HydrophobicContact CD1-CD2 3.85Å; Y97-L111 HydrophobicContact CE1-CD2 3.77Å; Y97-W134 AromaticContact CE2-NE1 3.88Å; Y97-A135 HydrophobicContact CD1-CB 4.03Å; Y97-A135 HydrophobicContact CD2-CB 4.26Å; Y97-A135 HydrophobicContact CG-CB 3.73Å
98A77.3Confident73.8Confident70 Ų7053.7 Ų53.758%0.57930%0.301SS*.Hα-helixtrans-70.7-27.3168.100000112.5H94 V96H94-A98 WeakPolarHBondContact O-CB 3.49Å; H94-A98 PolarHBondContact O-N 3.12Å; V96-A98 PolarHBondContact O-N 3.45Å
99T71.1Confident73.2Confident50 Ų5047 Ų4731%0.30728%0.276SS..Hα-helixtrans-87.3-26.3-179.963.30000113.1A95 V96 Y97 T102A95-T99 WeakPolarHBondContact O-CG2 3.46Å; V96-T99 PolarHBondContact O-N 2.9Å; V96-T99 PolarHBondContact O-OG1 3.4Å; Y97-T99 VanDerWaalsContact C-N 3.3Å; T99-T102 PolarHBondContact O-OG1 3.25Å
100I67.7Low72.6Confident5 Ų550.2 Ų50.23%0.02629%0.291CS..THydrogen-bonded Turntrans-68.6-46-172.5-73.9173.8000114.2V96 Y97 T102 M109 L111V96-I100 HydrophobicContact CG1-CD1 3.78Å; V96-I100 PolarHBondContact O-N 3.01Å; Y97-I100 HydrophobicContact CD1-CD1 3.71Å; Y97-I100 HydrophobicContact CE1-CD1 4.04Å; I100-T102 PolarHBondContact O-N 2.88Å; I100-T102 VanDerWaalsContact O-N 3.14Å; I100-M109 HydrophobicContact CB-CE 3.64Å; I100-M109 HydrophobicContact CD1-CE 4.34Å; I100-M109 HydrophobicContact CG1-CE 3.48Å; I100-M109 VanDerWaalsContact CG1-CE 3.48Å; I100-M109 HydrophobicContact CG2-CE 3.39Å; I100-L111 HydrophobicContact CD1-CD2 4.33Å; I100-L111 HydrophobicContact CG2-CB 3.47Å; I100-L111 VanDerWaalsContact CG2-CB 3.47Å; I100-L111 HydrophobicContact CG2-CD2 3.8Å; I100-L111 HydrophobicContact CG2-CG 4.28Å
101P59.8Low72.4Confident55 Ų5548.5 Ų48.536%0.35728%0.283SS..THydrogen-bonded Turntrans-76.48.4-179.2-14.328.9000113.9Y97 S103Y97-P101 WeakPolarHBondContact O-CD 3.43Å; Y97-P101 WeakPolarHBondContact O-CG 3.34Å; P101-S103 PolarHBondContact O-N 3.42Å
102T54.2Low72.3Confident64 Ų6445.2 Ų45.239%0.39327%0.268SS..  trans-76.3104.6-177.350.70000110T99 I100 S104T99-T102 PolarHBondContact O-OG1 3.25Å; I100-T102 PolarHBondContact O-N 2.88Å; I100-T102 VanDerWaalsContact O-N 3.14Å; T102-S104 PolarHBondContact O-N 3.4Å
103S52.4Low72.4Confident101 Ų10144.4 Ų44.471%0.70627%0.265SS*.  trans-6070.7146.5-55.60000108.4P101P101-S103 PolarHBondContact O-N 3.42Å
104S54Low72.5Confident38 Ų3845.4 Ų45.427%0.26627%0.272SS..BIsolated β-bridgetrans-78163.9171.263.10000108.4T102 G106 A107T102-S104 PolarHBondContact O-N 3.4Å; S104-G106 VanDerWaalsContact C-N 3.33Å; S104-G106 PolarHBondContact O-N 2.93Å; S104-A107 PolarHBondContact O-N 3.45Å
105Q54.2Low72.8Confident176 Ų17642.1 Ų42.182%0.82226%0.256SS*.THydrogen-bonded Turntrans-59.594.2-179.6-69.8-1741.700110.8L252Q105-L252 WeakPolarHBondContact O-CD2 3.42Å; Q105-L252 VanDerWaalsContact O-CG 3.28Å; Q105-L252 WeakPolarHBondContact O-CG 3.48Å
106G59.8Low73.2Confident20 Ų2040 Ų4021%0.20624%0.238CC..THydrogen-bonded Turntrans100.415.8173.100000117.4S104 T197S104-G106 VanDerWaalsContact C-N 3.33Å; S104-G106 PolarHBondContact O-N 2.93Å; G106-T197 WeakPolarHBondContact O-CA 3.5Å; G106-T197 WeakPolarHBondContact O-CB 3.48Å; G106-T197 PolarHBondContact O-N 2.72Å
107A64.4Low73.6Confident3 Ų340.2 Ų40.23%0.02524%0.239CC..EExtended strand (participates in β ladder)trans-138.8120.9161.800000109.7S104S104-A107 PolarHBondContact O-N 3.45Å
108E73.9Confident74.1Confident122 Ų12242 Ų4257%0.5725%0.248SC*.EExtended strand (participates in β ladder)trans-99.6105.1172.4-67.7-175.5-177.500107.7F194 Q195E108-F194 WeakPolarHBondContact O-CA 3.5Å; E108-Q195 WeakPolarHBondContact CA-O 3.48Å; E108-Q195 PolarHBondContact N-O 2.8Å; E108-Q195 PolarHBondContact O-N 3.32Å; E108-Q195 VanDerWaalsContact O-O 3.1Å
109M76.9Confident74.5Confident11 Ų1142.8 Ų42.85%0.05425%0.246CC..EExtended strand (participates in β ladder)trans-125.8119.7178.7-170.6160.9115.300108.4I100 M192 S193 F194 V256 V394I100-M109 HydrophobicContact CB-CE 3.64Å; I100-M109 HydrophobicContact CD1-CE 4.34Å; I100-M109 HydrophobicContact CG1-CE 3.48Å; I100-M109 VanDerWaalsContact CG1-CE 3.48Å; I100-M109 HydrophobicContact CG2-CE 3.39Å; M109-M192 HydrophobicContact CE-CE 3.69Å; M109-M192 HydrophobicContact CG-CE 3.14Å; M109-M192 HydrophobicContact SD-CE 3.58Å; M109-M192 VanDerWaalsContact SD-CE 3.58Å; M109-S193 WeakPolarHBondContact CA-O 3.36Å; M109-F194 HydrophobicContact CB-CD2 4.04Å; M109-F194 HydrophobicContact CG-CD2 4.01Å; M109-F194 HydrophobicContact SD-CD2 3.86Å; M109-F194 HydrophobicContact SD-CE2 4.32Å; M109-V256 HydrophobicContact SD-CG2 4.19Å; M109-V394 HydrophobicContact CE-CB 4.26Å; M109-V394 HydrophobicContact CE-CG1 3.46Å; M109-V394 VanDerWaalsContact CE-CG1 3.46Å; M109-V394 HydrophobicContact CE-CG2 3.82Å; M109-V394 HydrophobicContact SD-CB 4.48Å; M109-V394 HydrophobicContact SD-CG1 3.71Å; M109-V394 HydrophobicContact SD-CG2 4.39Å
110E80.2Confident75.2Confident76 Ų7644.1 Ų44.136%0.35527%0.269SS..EExtended strand (participates in β ladder)trans-124.2110.7-176.8-172.8179.9-174.400108.4T162 M192 S193E110-T162 WeakPolarHBondContact OE2-CG2 3.47Å; E110-M192 CarbonylContact O-C 3.52Å; E110-M192 WeakPolarHBondContact O-CA 3.44Å; E110-S193 PolarHBondContact N-O 2.81Å; E110-S193 PolarHBondContact O-N 3.03Å
111L83.6Confident76.2Confident2 Ų244.9 Ų44.91%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-107.6125168.9175.555.9000107.3L59 Y97 I100 N136 M192L59-L111 HydrophobicContact CD2-CD1 4.06Å; L59-L111 HydrophobicContact CD2-CD2 3.85Å; L59-L111 HydrophobicContact CD2-CG 3.82Å; Y97-L111 HydrophobicContact CD1-CD2 3.85Å; Y97-L111 HydrophobicContact CE1-CD2 3.77Å; I100-L111 HydrophobicContact CD1-CD2 4.33Å; I100-L111 HydrophobicContact CG2-CB 3.47Å; I100-L111 VanDerWaalsContact CG2-CB 3.47Å; I100-L111 HydrophobicContact CG2-CD2 3.8Å; I100-L111 HydrophobicContact CG2-CG 4.28Å; L111-N136 WeakPolarHBondContact O-CB 3.29Å; L111-M192 HydrophobicContact CB-CE 4.41Å; L111-M192 HydrophobicContact CB-SD 3.61Å; L111-M192 HydrophobicContact CD1-SD 3.74Å; L111-M192 HydrophobicContact CG-SD 4.13Å
112A85.5Confident77.7Confident17 Ų1745.3 Ų45.314%0.1428%0.277CS..EExtended strand (participates in β ladder)trans-135.8148.9172.600000110.5N136 S190 T191A112-N136 WeakPolarHBondContact CA-O 3.16Å; A112-S190 WeakPolarHBondContact O-CA 3.3Å; A112-T191 PolarHBondContact N-O 2.83Å; A112-T191 PolarHBondContact O-N 3.33Å
113C89.2Confident79.5Confident0 Ų044.6 Ų44.60%027%0.27CS..EExtended strand (participates in β ladder)trans-137117.5175.3-178.70000109.6L59 I63 N136 S137 S138 V189L59-C113 HydrophobicContact CD2-CB 3.6Å; L59-C113 HydrophobicContact CG-CB 4.04Å; I63-C113 HydrophobicContact CD1-CB 4.35Å; C113-N136 PolarHBondContact N-O 3.24Å; C113-S137 CarbonylContact O-C 3.55Å; C113-S137 WeakPolarHBondContact O-CA 3.45Å; C113-S138 PolarHBondContact O-N 3.29Å; C113-V189 CarbonylContact C-O 3.53Å; C113-V189 WeakPolarHBondContact CA-O 3.38Å
114S89.6Confident81.5Confident21 Ų2141.5 Ų41.515%0.14725%0.249CC..EExtended strand (participates in β ladder)trans-110.1128.6176.7-62.80000110.3S138 V189S114-S138 WeakPolarHBondContact CA-O 3.39Å; S114-S138 PolarHBondContact OG-OG 3.5Å; S114-V189 PolarHBondContact N-O 3.45Å; S114-V189 PolarHBondContact O-N 3.26Å
115L91.1Very high83.3Confident0 Ų044.8 Ų44.80%027%0.269CS..EExtended strand (participates in β ladder)trans-102.1107173.2-67.390.6000108.3I63 F127 V131 S138 L139 E140 L186 L188I63-L115 HydrophobicContact CD1-CD1 4.12Å; I63-L115 HydrophobicContact CG2-CD1 4.09Å; I63-L115 HydrophobicContact CG2-CD2 3.81Å; L115-F127 HydrophobicContact CD2-CZ 4.23Å; L115-V131 HydrophobicContact CD1-CG1 4.37Å; L115-S138 PolarHBondContact N-O 3.14Å; L115-L139 WeakPolarHBondContact O-CA 2.99Å; L115-E140 PolarHBondContact O-N 3.49Å; L115-L186 HydrophobicContact CB-CD1 4.17Å; L115-L186 HydrophobicContact CD2-CD1 4.5Å; L115-L188 HydrophobicContact CB-CD2 4.2Å; L115-L188 HydrophobicContact CD2-CD2 3.57Å; L115-L188 HydrophobicContact CG-CD2 3.47Å; L115-L188 VanDerWaalsContact CG-CD2 3.47Å
116F90.4Very high85Confident4 Ų439.7 Ų39.72%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-90.3114.8176.9-63.5-78.5000110E140 A142 L144 A151 I152 S155 L186 V187 V189F116-E140 CarbonylContact C-O 3.59Å; F116-E140 VanDerWaalsContact CA-O 3.29Å; F116-E140 WeakPolarHBondContact CA-O 3.37Å; F116-E140 HydrophobicContact CD1-CB 3.74Å; F116-E140 HydrophobicContact CE1-CB 3.81Å; F116-E140 HydrophobicContact CE1-CG 4.13Å; F116-A142 HydrophobicContact CB-CB 4.15Å; F116-A142 HydrophobicContact CD1-CB 3.96Å; F116-A142 HydrophobicContact CG-CB 4.48Å; F116-L144 HydrophobicContact CB-CD2 4.22Å; F116-A151 HydrophobicContact CD1-CB 4.33Å; F116-A151 HydrophobicContact CE1-CB 4.1Å; F116-I152 HydrophobicContact CB-CG1 4.42Å; F116-I152 HydrophobicContact CD1-CG1 4.02Å; F116-I152 HydrophobicContact CD2-CG1 4.03Å; F116-I152 HydrophobicContact CE1-CG1 4.32Å; F116-I152 HydrophobicContact CE2-CG1 4.32Å; F116-I152 HydrophobicContact CG-CG1 3.87Å; F116-I152 HydrophobicContact CZ-CG1 4.47Å; F116-S155 VanDerWaalsContact CZ-OG 3.27Å; F116-S155 WeakPolarHBondContact CZ-OG 3.13Å; F116-L186 CarbonylContact O-C 3.59Å; F116-L186 WeakPolarHBondContact O-CA 3.44Å; F116-V187 HydrophobicContact CB-CB 4.22Å; F116-V187 PolarHBondContact N-O 2.93Å; F116-V187 PolarHBondContact O-N 3.43Å; F116-V189 HydrophobicContact CD2-CG2 3.95Å; F116-V189 HydrophobicContact CE2-CB 4.02Å; F116-V189 HydrophobicContact CE2-CG2 3.7Å
117V90.8Very high86.5Confident4 Ų438.8 Ų38.82%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-107.3138.3-176.8-173.90000109.3V119 T121 L123 L139 E140 P141 A142 L186 F338V117-V119 PolarHBondContact O-N 3.1Å; V117-T121 HydrophobicContact CG1-CG2 3.9Å; V117-L123 HydrophobicContact CG1-CD1 4.49Å; V117-L123 HydrophobicContact CG1-CD2 4.17Å; V117-L123 HydrophobicContact CG2-CD1 4.26Å; V117-L123 HydrophobicContact CG2-CD2 4.42Å; V117-L139 HydrophobicContact CG2-CD1 4.17Å; V117-L139 HydrophobicContact CG2-CD2 4.38Å; V117-L139 HydrophobicContact CG2-CG 4.1Å; V117-E140 PolarHBondContact N-O 3.15Å; V117-P141 WeakPolarHBondContact O-CA 3.29Å; V117-A142 PolarHBondContact O-N 3.3Å; V117-A142 VanDerWaalsContact O-O 3.14Å; V117-L186 HydrophobicContact CG2-CD1 4Å; V117-F338 HydrophobicContact CG1-CE2 4.2Å; V117-F338 HydrophobicContact CG1-CZ 4.22Å
118Q89.2Confident87.7Confident42 Ų4241.5 Ų41.520%0.19626%0.258CS..EExtended strand (participates in β ladder)trans-54.2130.3175.1-178.959.428.600111.2G120 T121 A142 D143 L144 Q185Q118-G120 PolarHBondContact O-N 3.12Å; Q118-T121 VanDerWaalsContact O-CB 3.27Å; Q118-T121 WeakPolarHBondContact O-CB 3.41Å; Q118-T121 PolarHBondContact O-N 3.14Å; Q118-T121 VanDerWaalsContact O-N 3.1Å; Q118-T121 PolarHBondContact O-OG1 2.81Å; Q118-A142 WeakPolarHBondContact CA-O 3.33Å; Q118-D143 PolarHBondContact NE2-OD1 2.79Å; Q118-L144 HydrophobicContact CB-CD1 4.28Å; Q118-Q185 PolarHBondContact N-O 3.41Å
119V87.3Confident88.4Confident88 Ų8841.2 Ų41.253%0.53326%0.257SS..THydrogen-bonded Turntrans-52.8133.6175.9172.70000110.7V117 P141 A142V117-V119 PolarHBondContact O-N 3.1Å; V119-P141 HydrophobicContact CG2-CB 4.3Å; V119-A142 PolarHBondContact N-O 3.46Å; V119-A142 VanDerWaalsContact N-O 3.13Å
120G85.3Confident88.9Confident77 Ų7743.2 Ų43.279%0.79427%0.266SS*.THydrogen-bonded Turntrans89.7-4.8-179.200000114.6Q118Q118-G120 PolarHBondContact O-N 3.12Å
121T88.9Confident89.2Confident21 Ų2139.8 Ų39.813%0.12925%0.25CS..  trans-70.7123.1172.6-52.40000110.1V117 Q118 F338V117-T121 HydrophobicContact CG1-CG2 3.9Å; Q118-T121 VanDerWaalsContact O-CB 3.27Å; Q118-T121 WeakPolarHBondContact O-CB 3.41Å; Q118-T121 PolarHBondContact O-N 3.14Å; Q118-T121 VanDerWaalsContact O-N 3.1Å; Q118-T121 PolarHBondContact O-OG1 2.81Å; T121-F338 HydrophobicContact CG2-CD2 4.01Å; T121-F338 HydrophobicContact CG2-CE2 3.7Å; T121-F338 HydrophobicContact CG2-CZ 4.48Å
122P91.1Very high89.2Confident65 Ų6543.5 Ų43.542%0.42228%0.277SS..  trans-69.3137172.330.3-32.6000109.4S333 Q335P122-S333 WeakPolarHBondContact O-CA 3.44Å; P122-S333 WeakPolarHBondContact O-CB 3.33Å; P122-Q335 HydrophobicContact CG-CG 3.84Å
123L92.6Very high88.9Confident48 Ų4851.3 Ų51.325%0.25130%0.303SS..  trans-117.8142.4177.4-66.4172000110.6V117 P125 V128 L139 I332V117-L123 HydrophobicContact CG1-CD1 4.49Å; V117-L123 HydrophobicContact CG1-CD2 4.17Å; V117-L123 HydrophobicContact CG2-CD1 4.26Å; V117-L123 HydrophobicContact CG2-CD2 4.42Å; L123-P125 WeakPolarHBondContact O-CD 3.27Å; L123-V128 HydrophobicContact CB-CG2 3.93Å; L123-V128 HydrophobicContact CD1-CG2 4.4Å; L123-L139 HydrophobicContact CD1-CD1 3.93Å; L123-L139 HydrophobicContact CD1-CD2 3.21Å; L123-L139 HydrophobicContact CD1-CG 4.11Å; L123-I332 CarbonylContact C-O 3.24Å; L123-I332 WeakPolarHBondContact CA-O 3.15Å; L123-I332 HydrophobicContact CD2-CG2 3.73Å
124S93.4Very high88.4Confident37 Ų3751.6 Ų51.626%0.25930%0.304SS..  trans-63124.4173.6173.10000109.8C126 F127 V128 G331 I332S124-C126 PolarHBondContact O-N 2.92Å; S124-F127 PolarHBondContact O-N 3.27Å; S124-F127 VanDerWaalsContact O-N 3.09Å; S124-V128 WeakPolarHBondContact O-CG2 3.11Å; S124-V128 PolarHBondContact O-N 2.99Å; S124-G331 WeakPolarHBondContact CB-O 3.33Å; S124-G331 PolarHBondContact OG-O 2.93Å; S124-I332 WeakPolarHBondContact CB-O 3.47Å; S124-I332 PolarHBondContact N-O 3.33Å
125P91.3Very high87.8Confident106 Ų10652 Ų5269%0.68831%0.308SS*.Hα-helixtrans-57.5-35.7177.2-26.234.8000112.9L123 V128 E129L123-P125 WeakPolarHBondContact O-CD 3.27Å; P125-V128 PolarHBondContact O-N 2.68Å; P125-E129 WeakPolarHBondContact O-CB 3.35Å; P125-E129 PolarHBondContact O-N 3.29Å
126C89.8Confident87.2Confident69 Ų6956.2 Ų56.247%0.46633%0.331SS..Hα-helixtrans-65.2-40.1177.9-175.80000111.7S124 E129 Q130S124-C126 PolarHBondContact O-N 2.92Å; C126-E129 PolarHBondContact O-N 3.46Å; C126-Q130 VanDerWaalsContact O-CG 3.3Å; C126-Q130 WeakPolarHBondContact O-CG 3.14Å; C126-Q130 PolarHBondContact O-N 3Å
127F91.4Very high86.9Confident1 Ų156.8 Ų56.80%0.00434%0.335CS..Hα-helixtrans-66.7-45.1176.7-179.2-100.5000111.5I63 F66 L115 S124 E129 Q130 V131 L139 I332I63-F127 HydrophobicContact CG2-CE2 4.28Å; I63-F127 HydrophobicContact CG2-CZ 3.95Å; I63-F127 WeakPolarHBondContact O-CE2 3.33Å; F66-F127 HydrophobicContact CB-CD2 4.01Å; F66-F127 HydrophobicContact CB-CE2 4.11Å; L115-F127 HydrophobicContact CD2-CZ 4.23Å; S124-F127 PolarHBondContact O-N 3.27Å; S124-F127 VanDerWaalsContact O-N 3.09Å; F127-E129 VanDerWaalsContact C-N 3.3Å; F127-E129 PolarHBondContact O-N 2.9Å; F127-Q130 PolarHBondContact O-N 3.27Å; F127-V131 HydrophobicContact CD1-CG2 4.07Å; F127-V131 HydrophobicContact CE1-CG2 3.63Å; F127-V131 HydrophobicContact CE2-CG2 4.15Å; F127-V131 HydrophobicContact CZ-CG2 3.68Å; F127-V131 WeakPolarHBondContact O-CG2 3.37Å; F127-V131 PolarHBondContact O-N 3.1Å; F127-L139 HydrophobicContact CD1-CD1 4.23Å; F127-L139 HydrophobicContact CE1-CD1 3.77Å; F127-I332 HydrophobicContact CD1-CB 4.37Å; F127-I332 HydrophobicContact CD1-CG1 4.42Å; F127-I332 HydrophobicContact CD1-CG2 3.76Å; F127-I332 HydrophobicContact CD2-CG1 3.93Å; F127-I332 HydrophobicContact CE1-CB 4.42Å; F127-I332 HydrophobicContact CE1-CD1 4.36Å; F127-I332 HydrophobicContact CE1-CG1 4.22Å; F127-I332 HydrophobicContact CE1-CG2 3.65Å; F127-I332 HydrophobicContact CE2-CD1 3.93Å; F127-I332 HydrophobicContact CE2-CG1 3.71Å; F127-I332 HydrophobicContact CG-CB 4.44Å; F127-I332 HydrophobicContact CG-CG1 4.27Å; F127-I332 HydrophobicContact CG-CG2 4.31Å; F127-I332 HydrophobicContact CZ-CD1 3.77Å; F127-I332 HydrophobicContact CZ-CG1 3.87Å; F127-I332 HydrophobicContact CZ-CG2 4.13Å
128V90.6Very high86.7Confident60 Ų6058.1 Ų58.136%0.36435%0.345SS..Hα-helixtrans-58.7-44177.2174.80000111.1L123 S124 P125 V131 S132L123-V128 HydrophobicContact CB-CG2 3.93Å; L123-V128 HydrophobicContact CD1-CG2 4.4Å; S124-V128 WeakPolarHBondContact O-CG2 3.11Å; S124-V128 PolarHBondContact O-N 2.99Å; P125-V128 PolarHBondContact O-N 2.68Å; V128-V131 PolarHBondContact O-N 3.11Å; V128-S132 PolarHBondContact O-N 3.15Å; V128-S132 VanDerWaalsContact O-N 3.11Å
129E88.9Confident86.6Confident117 Ų11758 Ų5855%0.54735%0.345SS..Hα-helixtrans-59.8-50.8175-174.5175.9-160.300110.6P125 C126 F127 V131 S132 W133P125-E129 WeakPolarHBondContact O-CB 3.35Å; P125-E129 PolarHBondContact O-N 3.29Å; C126-E129 PolarHBondContact O-N 3.46Å; F127-E129 VanDerWaalsContact C-N 3.3Å; F127-E129 PolarHBondContact O-N 2.9Å; E129-V131 VanDerWaalsContact C-N 3.35Å; E129-V131 PolarHBondContact O-N 3.34Å; E129-S132 PolarHBondContact O-N 3Å; E129-S132 VanDerWaalsContact O-N 3.12Å; E129-S132 PolarHBondContact O-OG 3.33Å; E129-W133 PolarHBondContact O-N 3.09Å
130Q87.2Confident86.5Confident53 Ų5357.7 Ų57.725%0.24834%0.338CS..Hα-helixtrans-57.4-43.9179.6-74.4169.6-24.200113F66 C126 F127 S132 W133 W134F66-Q130 VanDerWaalsContact CB-OE1 3.32Å; F66-Q130 HydrophobicContact CD2-CB 4.16Å; F66-Q130 HydrophobicContact CG-CB 4.27Å; C126-Q130 VanDerWaalsContact O-CG 3.3Å; C126-Q130 WeakPolarHBondContact O-CG 3.14Å; C126-Q130 PolarHBondContact O-N 3Å; F127-Q130 PolarHBondContact O-N 3.27Å; Q130-S132 VanDerWaalsContact C-N 3.33Å; Q130-S132 PolarHBondContact O-N 2.94Å; Q130-W133 PolarHBondContact O-N 3.49Å; Q130-W134 WeakPolarHBondContact O-CB 3.2Å; Q130-W134 PolarHBondContact O-N 2.82Å
131V86.2Confident86.5Confident3 Ų358.2 Ų58.22%0.01833%0.328CS..Hα-helixtrans-61.3-42.4177175.80000111.2I63 L115 F127 V128 E129 W133 W134 L139I63-V131 HydrophobicContact CG2-CG2 3.75Å; L115-V131 HydrophobicContact CD1-CG1 4.37Å; F127-V131 HydrophobicContact CD1-CG2 4.07Å; F127-V131 HydrophobicContact CE1-CG2 3.63Å; F127-V131 HydrophobicContact CE2-CG2 4.15Å; F127-V131 HydrophobicContact CZ-CG2 3.68Å; F127-V131 WeakPolarHBondContact O-CG2 3.37Å; F127-V131 PolarHBondContact O-N 3.1Å; V128-V131 PolarHBondContact O-N 3.11Å; E129-V131 VanDerWaalsContact C-N 3.35Å; E129-V131 PolarHBondContact O-N 3.34Å; V131-W133 PolarHBondContact O-N 3.15Å; V131-W134 PolarHBondContact O-N 3.49Å; V131-L139 HydrophobicContact CG1-CB 4.36Å
132S82.4Confident86.3Confident80 Ų8057.4 Ų57.456%0.55932%0.323SS*.Hα-helixtrans-63.3-26-177.873.70000113.9V128 E129 Q130V128-S132 PolarHBondContact O-N 3.15Å; V128-S132 VanDerWaalsContact O-N 3.11Å; E129-S132 PolarHBondContact O-N 3Å; E129-S132 VanDerWaalsContact O-N 3.12Å; E129-S132 PolarHBondContact O-OG 3.33Å; Q130-S132 VanDerWaalsContact C-N 3.33Å; Q130-S132 PolarHBondContact O-N 2.94Å
133W79.2Confident85.9Confident182 Ų18258 Ų5869%0.68932%0.322SS*.Hα-helixtrans-92.7-8.9177-72.299.5000113.1H94 E129 Q130 V131H94-W133 PolarHBondContact CE1-O 3.01Å; E129-W133 PolarHBondContact O-N 3.09Å; Q130-W133 PolarHBondContact O-N 3.49Å; V131-W133 PolarHBondContact O-N 3.15Å
134W80.4Confident85.2Confident5 Ų556 Ų562%0.01931%0.312CS..SBendtrans-100.497.6-170.3-152.6-96.9000112.4L59 E62 I63 F66 V84 K90 L93 H94 Y97 Q130 V131 S137L59-W134 VanDerWaalsContact CD1-CD1 3.5Å; E62-W134 PolarHBondContact OE2-NE1 3.36Å; I63-W134 HydrophobicContact CG1-CG 4.33Å; F66-W134 HydrophobicContact CE1-CZ3 4.38Å; F66-W134 AromaticContact CE2-CD2 3.69Å; F66-W134 HydrophobicContact CE2-CD2 3.69Å; F66-W134 AromaticContact CE2-CE3 3.81Å; F66-W134 HydrophobicContact CE2-CE3 3.81Å; F66-W134 HydrophobicContact CE2-CG 4.03Å; F66-W134 HydrophobicContact CE2-CH2 4.49Å; F66-W134 HydrophobicContact CE2-CZ2 4.39Å; F66-W134 HydrophobicContact CE2-CZ3 4.23Å; F66-W134 AromaticContact CZ-CD2 3.77Å; F66-W134 HydrophobicContact CZ-CD2 3.77Å; F66-W134 AromaticContact CZ-CE2 3.97Å; F66-W134 AromaticContact CZ-CE3 3.51Å; F66-W134 HydrophobicContact CZ-CE3 3.51Å; F66-W134 AromaticContact CZ-CH2 3.65Å; F66-W134 HydrophobicContact CZ-CH2 3.65Å; F66-W134 AromaticContact CZ-CZ2 3.91Å; F66-W134 HydrophobicContact CZ-CZ2 3.91Å; F66-W134 AromaticContact CZ-CZ3 3.47Å; F66-W134 HydrophobicContact CZ-CZ3 3.47Å; F66-W134 VanDerWaalsContact CZ-CZ3 3.47Å; V84-W134 HydrophobicContact CG1-CZ2 4.28Å; K90-W134 HydrophobicContact CB-CH2 4.05Å; K90-W134 HydrophobicContact CB-CZ3 4.21Å; K90-W134 HydrophobicContact CG-CH2 4.08Å; K90-W134 HydrophobicContact CG-CZ3 4.32Å; L93-W134 HydrophobicContact CB-CH2 4.04Å; L93-W134 HydrophobicContact CB-CZ2 3.76Å; L93-W134 HydrophobicContact CD1-CH2 4.23Å; L93-W134 HydrophobicContact CD1-CZ2 3.73Å; L93-W134 HydrophobicContact CG-CZ2 4.39Å; H94-W134 AromaticContact CD2-CE3 3.94Å; H94-W134 AromaticContact CD2-CZ3 3.43Å; H94-W134 VanDerWaalsContact CD2-CZ3 3.43Å; H94-W134 WeakPolarHBondContact CD2-CZ3 3.38Å; H94-W134 AromaticContact CE1-CE3 3.6Å; H94-W134 AromaticContact CE1-CZ3 3.9Å; H94-W134 AromaticContact NE2-CE3 3.32Å; H94-W134 VanDerWaalsContact NE2-CE3 3.32Å; H94-W134 AromaticContact NE2-CZ3 3.18Å; H94-W134 WeakPolarHBondContact NE2-CZ3 3.32Å; Y97-W134 AromaticContact CE2-NE1 3.88Å; Q130-W134 WeakPolarHBondContact O-CB 3.2Å; Q130-W134 PolarHBondContact O-N 2.82Å; V131-W134 PolarHBondContact O-N 3.49Å; W134-S137 WeakPolarHBondContact O-CB 3.37Å; W134-S137 PolarHBondContact O-OG 2.73Å
135A76.4Confident84Confident29 Ų2955.9 Ų55.924%0.2432%0.316CS..SBendtrans54.9-158.2-177.600000112.4L59 Y97 S137L59-A135 HydrophobicContact CD1-CB 3.74Å; L59-A135 HydrophobicContact CD2-CB 4.04Å; Y97-A135 HydrophobicContact CD1-CB 4.03Å; Y97-A135 HydrophobicContact CD2-CB 4.26Å; Y97-A135 HydrophobicContact CG-CB 3.73Å; A135-S137 PolarHBondContact O-N 3.32Å
136N78.6Confident82.8Confident89 Ų8956.6 Ų56.648%0.47631%0.31SS..SBendtrans-8862.8172.1-170.632.1000109.8L111 A112 C113L111-N136 WeakPolarHBondContact O-CB 3.29Å; A112-N136 WeakPolarHBondContact CA-O 3.16Å; C113-N136 PolarHBondContact N-O 3.24Å
137S84.6Confident81.1Confident16 Ų1655.2 Ų55.211%0.11230%0.301CS..EExtended strand (participates in β ladder)trans-102.8140.5-178.3-52.20000111.2I63 C113 W134 A135I63-S137 VanDerWaalsContact CD1-OG 3.26Å; I63-S137 WeakPolarHBondContact CD1-OG 3.46Å; C113-S137 CarbonylContact O-C 3.55Å; C113-S137 WeakPolarHBondContact O-CA 3.45Å; W134-S137 WeakPolarHBondContact O-CB 3.37Å; W134-S137 PolarHBondContact O-OG 2.73Å; A135-S137 PolarHBondContact O-N 3.32Å
138S85.3Confident79.5Confident32 Ų3259.5 Ų59.522%0.22432%0.324CS..EExtended strand (participates in β ladder)trans-123.4150.7176.778.40000111.3C113 S114 L115 E140C113-S138 PolarHBondContact O-N 3.29Å; S114-S138 WeakPolarHBondContact CA-O 3.39Å; S114-S138 PolarHBondContact OG-OG 3.5Å; L115-S138 PolarHBondContact N-O 3.14Å; S138-E140 WeakPolarHBondContact CB-OE1 2.95Å; S138-E140 PolarHBondContact OG-OE1 2.99Å
139L87.1Confident78.1Confident40 Ų4057.3 Ų57.321%0.20931%0.311CS..EExtended strand (participates in β ladder)trans-121.2115.1173.6-176.2138.7000107.5L115 V117 L123 F127 V131L115-L139 WeakPolarHBondContact O-CA 2.99Å; V117-L139 HydrophobicContact CG2-CD1 4.17Å; V117-L139 HydrophobicContact CG2-CD2 4.38Å; V117-L139 HydrophobicContact CG2-CG 4.1Å; L123-L139 HydrophobicContact CD1-CD1 3.93Å; L123-L139 HydrophobicContact CD1-CD2 3.21Å; L123-L139 HydrophobicContact CD1-CG 4.11Å; F127-L139 HydrophobicContact CD1-CD1 4.23Å; F127-L139 HydrophobicContact CE1-CD1 3.77Å; V131-L139 HydrophobicContact CG1-CB 4.36Å
140E86.5Confident76.4Confident81 Ų8156.8 Ų56.838%0.37932%0.316SS..EExtended strand (participates in β ladder)trans-122.1124.8-167.6-59.6-60.8157.700110.1L115 F116 V117 S138 A142L115-E140 PolarHBondContact O-N 3.49Å; F116-E140 CarbonylContact C-O 3.59Å; F116-E140 VanDerWaalsContact CA-O 3.29Å; F116-E140 WeakPolarHBondContact CA-O 3.37Å; F116-E140 HydrophobicContact CD1-CB 3.74Å; F116-E140 HydrophobicContact CE1-CB 3.81Å; F116-E140 HydrophobicContact CE1-CG 4.13Å; V117-E140 PolarHBondContact N-O 3.15Å; S138-E140 WeakPolarHBondContact CB-OE1 2.95Å; S138-E140 PolarHBondContact OG-OE1 2.99Å; E140-A142 PolarHBondContact O-N 3.21Å
141P85.1Confident74.9Confident89 Ų8956 Ų5658%0.57832%0.319SS*.EExtended strand (participates in β ladder)trans-70.3128.3169.128.9-31.6000109.8V117 V119V117-P141 WeakPolarHBondContact O-CA 3.29Å; V119-P141 HydrophobicContact CG2-CB 4.3Å
142A84.7Confident73.7Confident4 Ų457.5 Ų57.53%0.03333%0.326CS..EExtended strand (participates in β ladder)trans-138144.1176.600000110.5F116 V117 Q118 V119 E140 L144 A151F116-A142 HydrophobicContact CB-CB 4.15Å; F116-A142 HydrophobicContact CD1-CB 3.96Å; F116-A142 HydrophobicContact CG-CB 4.48Å; V117-A142 PolarHBondContact O-N 3.3Å; V117-A142 VanDerWaalsContact O-O 3.14Å; Q118-A142 WeakPolarHBondContact CA-O 3.33Å; V119-A142 PolarHBondContact N-O 3.46Å; V119-A142 VanDerWaalsContact N-O 3.13Å; E140-A142 PolarHBondContact O-N 3.21Å; A142-L144 HydrophobicContact CB-CD2 4Å; A142-L144 PolarHBondContact O-N 3.04Å; A142-A151 HydrophobicContact CB-CB 4.06Å
143D81.2Confident72.5Confident76 Ų7657.8 Ų57.841%0.40632%0.319SS..  trans-81.695.3171.4-168.40.4000109.2Q118 G145 E146 S149Q118-D143 PolarHBondContact NE2-OD1 2.79Å; D143-G145 PolarHBondContact OD1-N 2.65Å; D143-E146 PolarHBondContact O-N 2.81Å; D143-S149 VanDerWaalsContact O-CB 3.26Å; D143-S149 WeakPolarHBondContact O-CB 3.36Å
144L78.4Confident71.2Confident8 Ų853.3 Ų53.34%0.04231%0.312CS..THydrogen-bonded Turntrans-78.8-10.3-179-49.6175000112.4F116 Q118 A142 I152 A184 V187F116-L144 HydrophobicContact CB-CD2 4.22Å; Q118-L144 HydrophobicContact CB-CD1 4.28Å; A142-L144 HydrophobicContact CB-CD2 4Å; A142-L144 PolarHBondContact O-N 3.04Å; L144-I152 HydrophobicContact CD2-CD1 3.69Å; L144-A184 HydrophobicContact CB-CB 3.6Å; L144-A184 HydrophobicContact CD1-CB 4.11Å; L144-A184 HydrophobicContact CG-CB 4.48Å; L144-V187 HydrophobicContact CD1-CG2 4.13Å; L144-V187 HydrophobicContact CD2-CB 4.49Å; L144-V187 HydrophobicContact CD2-CG2 4.02Å
145G68.6Low70.2Confident33 Ų3354.3 Ų54.334%0.3432%0.319SS..THydrogen-bonded Turntrans-65.2-28.4167.900000112.6D143 P147 A181D143-G145 PolarHBondContact OD1-N 2.65Å; G145-P147 WeakPolarHBondContact O-CD 3.4Å; G145-A181 WeakPolarHBondContact CA-O 3.17Å
146E66.2Low69Low121 Ų12155.6 Ų55.657%0.56532%0.321SS*.SBendtrans-96113.7176.6-74.5-63.9155.700110.3D143 N148 S149D143-E146 PolarHBondContact O-N 2.81Å; E146-N148 PolarHBondContact O-N 3.05Å; E146-S149 PolarHBondContact O-N 3.14Å; E146-S149 VanDerWaalsContact O-N 3.13Å
147P54.9Low67.2Low40 Ų4052.5 Ų52.526%0.2631%0.309SS..THydrogen-bonded Turntrans-65.3-11.3-172.719.8-29.2000115.1G145 W176G145-P147 WeakPolarHBondContact O-CD 3.4Å; P147-W176 HydrophobicContact CB-CD2 3.25Å; P147-W176 VanDerWaalsContact CB-CE2 3.45Å; P147-W176 HydrophobicContact CB-CE3 3.13Å; P147-W176 HydrophobicContact CB-CG 3.93Å; P147-W176 HydrophobicContact CB-CH2 3.52Å; P147-W176 HydrophobicContact CB-CZ2 3.6Å; P147-W176 HydrophobicContact CB-CZ3 3.28Å; P147-W176 HydrophobicContact CG-CD2 4.08Å; P147-W176 HydrophobicContact CG-CE3 3.81Å; P147-W176 HydrophobicContact CG-CH2 3.17Å; P147-W176 HydrophobicContact CG-CZ2 3.45Å; P147-W176 VanDerWaalsContact CG-CZ2 3.45Å; P147-W176 HydrophobicContact CG-CZ3 3.35Å
148N57.8Low65.2Low91 Ų9154 Ų5449%0.48732%0.323SS..THydrogen-bonded Turntrans-114.334.3177.7-92.2-5.4000112.4E146 T150 Q153 W176E146-N148 PolarHBondContact O-N 3.05Å; N148-T150 PolarHBondContact O-N 2.94Å; N148-T150 VanDerWaalsContact O-N 3.13Å; N148-Q153 PolarHBondContact OD1-NE2 2.88Å; N148-W176 PolarHBondContact OD1-NE1 3.49Å
149S59.9Low63Low14 Ų1453.9 Ų53.910%0.09832%0.322CS..  trans-53.2124.3-178.775.30000112D143 E146 A151 I152 Q153D143-S149 VanDerWaalsContact O-CB 3.26Å; D143-S149 WeakPolarHBondContact O-CB 3.36Å; E146-S149 PolarHBondContact O-N 3.14Å; E146-S149 VanDerWaalsContact O-N 3.13Å; S149-A151 PolarHBondContact O-N 2.75Å; S149-A151 VanDerWaalsContact O-N 3.15Å; S149-I152 PolarHBondContact O-N 3.43Å; S149-I152 VanDerWaalsContact O-N 3.16Å; S149-I152 WeakPolarHBondContact OG-CD1 3.4Å; S149-I152 VanDerWaalsContact OG-CG1 3.31Å; S149-I152 WeakPolarHBondContact OG-CG1 3.3Å; S149-Q153 PolarHBondContact O-N 3.07Å; S149-Q153 VanDerWaalsContact O-N 3.15Å
150T53.6Low60.7Low107 Ų10760 Ų6066%0.65634%0.342SS*.Hα-helixtrans-59.3-30.7-173.8-34.40000111.8N148 T154N148-T150 PolarHBondContact O-N 2.94Å; N148-T150 VanDerWaalsContact O-N 3.13Å; T150-T154 VanDerWaalsContact O-CB 3.23Å; T150-T154 WeakPolarHBondContact O-CB 3.38Å; T150-T154 PolarHBondContact O-N 2.83Å; T150-T154 PolarHBondContact O-OG1 3.39Å
151A55.7Low58Low37 Ų3763.7 Ų63.731%0.30636%0.359SS..Hα-helixtrans-65.2-45.9178.500000112.2F116 A142 S149 T154 S155F116-A151 HydrophobicContact CD1-CB 4.33Å; F116-A151 HydrophobicContact CE1-CB 4.1Å; A142-A151 HydrophobicContact CB-CB 4.06Å; S149-A151 PolarHBondContact O-N 2.75Å; S149-A151 VanDerWaalsContact O-N 3.15Å; A151-T154 PolarHBondContact O-N 2.86Å; A151-S155 PolarHBondContact O-N 2.99Å; A151-S155 VanDerWaalsContact O-N 3.1Å
152I60.8Low55.7Low34 Ų3461.8 Ų61.817%0.17435%0.346CS..Hα-helixtrans-64.8-50.9176-64.9178000108.6F116 L144 S149 T154 S155 E156F116-I152 HydrophobicContact CB-CG1 4.42Å; F116-I152 HydrophobicContact CD1-CG1 4.02Å; F116-I152 HydrophobicContact CD2-CG1 4.03Å; F116-I152 HydrophobicContact CE1-CG1 4.32Å; F116-I152 HydrophobicContact CE2-CG1 4.32Å; F116-I152 HydrophobicContact CG-CG1 3.87Å; F116-I152 HydrophobicContact CZ-CG1 4.47Å; L144-I152 HydrophobicContact CD2-CD1 3.69Å; S149-I152 PolarHBondContact O-N 3.43Å; S149-I152 VanDerWaalsContact O-N 3.16Å; S149-I152 WeakPolarHBondContact OG-CD1 3.4Å; S149-I152 VanDerWaalsContact OG-CG1 3.31Å; S149-I152 WeakPolarHBondContact OG-CG1 3.3Å; I152-T154 VanDerWaalsContact C-N 3.26Å; I152-T154 PolarHBondContact O-N 2.94Å; I152-S155 PolarHBondContact O-N 2.94Å; I152-S155 VanDerWaalsContact O-N 3.12Å; I152-S155 PolarHBondContact O-OG 2.95Å; I152-E156 HydrophobicContact CG2-CG 4.3Å; I152-E156 VanDerWaalsContact O-CG 3.3Å; I152-E156 WeakPolarHBondContact O-CG 3.44Å; I152-E156 PolarHBondContact O-N 2.85Å
153Q58Low53.4Low86 Ų8663.6 Ų63.640%0.40236%0.361SS..Hα-helixtrans-59.4-34.4179.9-67.1-170.1-2.200113.6N148 S149 E156 G157N148-Q153 PolarHBondContact OD1-NE2 2.88Å; S149-Q153 PolarHBondContact O-N 3.07Å; S149-Q153 VanDerWaalsContact O-N 3.15Å; Q153-E156 CarbonylContact O-C 3.57Å; Q153-E156 PolarHBondContact O-N 2.84Å; Q153-G157 PolarHBondContact O-N 2.83Å
154T52.3Low51.1Low88 Ų8864.1 Ų64.154%0.5438%0.384SS..Hα-helixtrans-71.1-40.5177.8-57.80000111.1T150 A151 I152 E156 G157 A158T150-T154 VanDerWaalsContact O-CB 3.23Å; T150-T154 WeakPolarHBondContact O-CB 3.38Å; T150-T154 PolarHBondContact O-N 2.83Å; T150-T154 PolarHBondContact O-OG1 3.39Å; A151-T154 PolarHBondContact O-N 2.86Å; I152-T154 VanDerWaalsContact C-N 3.26Å; I152-T154 PolarHBondContact O-N 2.94Å; T154-E156 VanDerWaalsContact C-N 3.3Å; T154-E156 PolarHBondContact O-N 3.26Å; T154-G157 CarbonylContact O-C 3.58Å; T154-G157 PolarHBondContact O-N 3.25Å; T154-A158 WeakPolarHBondContact O-CB 3.24Å; T154-A158 PolarHBondContact O-N 3.23Å
155S58.4Low49Very low26 Ų2669.5 Ų69.518%0.18241%0.409CS..Hα-helixtrans-65-36.2172.173.90000112.1F116 A151 I152 S159F116-S155 VanDerWaalsContact CZ-OG 3.27Å; F116-S155 WeakPolarHBondContact CZ-OG 3.13Å; A151-S155 PolarHBondContact O-N 2.99Å; A151-S155 VanDerWaalsContact O-N 3.1Å; I152-S155 PolarHBondContact O-N 2.94Å; I152-S155 VanDerWaalsContact O-N 3.12Å; I152-S155 PolarHBondContact O-OG 2.95Å; S155-S159 PolarHBondContact O-N 3.5Å
156E52.3Low47.1Very low56 Ų5670.7 Ų70.726%0.26242%0.422SS..Hα-helixtrans-66.3-37.8171.6-61.9-159.9125.100111.9I152 Q153 T154 S159 R160 K346I152-E156 HydrophobicContact CG2-CG 4.3Å; I152-E156 VanDerWaalsContact O-CG 3.3Å; I152-E156 WeakPolarHBondContact O-CG 3.44Å; I152-E156 PolarHBondContact O-N 2.85Å; Q153-E156 CarbonylContact O-C 3.57Å; Q153-E156 PolarHBondContact O-N 2.84Å; T154-E156 VanDerWaalsContact C-N 3.3Å; T154-E156 PolarHBondContact O-N 3.26Å; E156-S159 PolarHBondContact O-OG 3.4Å; E156-R160 PolarHBondContact O-N 3.08Å; E156-K346 VanDerWaalsContact CD-NZ 3.27Å; E156-K346 IonicContact OE1-NZ 2.78Å; E156-K346 PolarHBondContact OE1-NZ 3.22Å
157G39.3Very low45.2Very low23 Ų2370.9 Ų70.924%0.23743%0.434CS..Hα-helixtrans-72.2-36.517700000113.6Q153 T154 S159 R160 Q161Q153-G157 PolarHBondContact O-N 2.83Å; T154-G157 CarbonylContact O-C 3.58Å; T154-G157 PolarHBondContact O-N 3.25Å; G157-S159 VanDerWaalsContact C-N 3.33Å; G157-S159 PolarHBondContact O-N 3.48Å; G157-R160 WeakPolarHBondContact O-CA 3.42Å; G157-R160 VanDerWaalsContact O-CB 3.3Å; G157-R160 WeakPolarHBondContact O-CB 3.38Å; G157-R160 PolarHBondContact O-N 2.98Å; G157-Q161 PolarHBondContact O-N 2.68Å
158A42.7Very low43.9Very low49 Ų4974.8 Ų74.841%0.40546%0.462SS..Hα-helixtrans-62.8-42.1174.700000110.6T154 R160 Q161 T162T154-A158 WeakPolarHBondContact O-CB 3.24Å; T154-A158 PolarHBondContact O-N 3.23Å; A158-R160 PolarHBondContact O-N 3.45Å; A158-R160 VanDerWaalsContact O-N 3.15Å; A158-Q161 PolarHBondContact O-N 3.15Å; A158-T162 PolarHBondContact O-N 3.07Å
159S40.3Very low42.6Very low28 Ų2879.3 Ų79.320%0.19648%0.48CS..Hα-helixtrans-64-15.9171.775.60000114.3S155 E156 G157S155-S159 PolarHBondContact O-N 3.5Å; E156-S159 PolarHBondContact O-OG 3.4Å; G157-S159 VanDerWaalsContact C-N 3.33Å; G157-S159 PolarHBondContact O-N 3.48Å
160R37.1Very low41Very low169 Ų16981.3 Ų81.364%0.63850%0.503SS*.Hα-helixtrans-89.9-25.7172.9-70.6175.3168.2-175-3.2112.9E156 G157 A158E156-R160 PolarHBondContact O-N 3.08Å; G157-R160 WeakPolarHBondContact O-CA 3.42Å; G157-R160 VanDerWaalsContact O-CB 3.3Å; G157-R160 WeakPolarHBondContact O-CB 3.38Å; G157-R160 PolarHBondContact O-N 2.98Å; A158-R160 PolarHBondContact O-N 3.45Å; A158-R160 VanDerWaalsContact O-N 3.15Å
161Q30.5Very low39.8Very low158 Ų15883.2 Ų83.274%0.73852%0.517SS*.Hα-helixtrans-92.2-14-174.6-74.6-179.3-1.500113.9G157 A158 A163G157-Q161 PolarHBondContact O-N 2.68Å; A158-Q161 PolarHBondContact O-N 3.15Å; Q161-A163 PolarHBondContact O-N 2.75Å
162T37.6Very low38.5Very low50 Ų5083.1 Ų83.131%0.30752%0.52SS..SBendtrans-75.897.8175.449.80000110.6E110 A158E110-T162 WeakPolarHBondContact OE2-CG2 3.47Å; A158-T162 PolarHBondContact O-N 3.07Å
163A35.4Very low37.2Very low42 Ų4285 Ų8535%0.34755%0.548SS..SBendtrans114.576.1175.900000113.5Q161 E165Q161-A163 PolarHBondContact O-N 2.75Å; A163-E165 VanDerWaalsContact C-N 3.27Å; A163-E165 PolarHBondContact O-N 3.18Å
164G33.9Very low36.3Very low86 Ų8689.9 Ų89.989%0.88756%0.563SS**SBendtrans56.77.1141.500000121.4
165E33.8Very low35.4Very low121 Ų12190 Ų9057%0.56557%0.565SS**  trans-108129.4-179.4-71.8-177.1131.900111.7A163 R302A163-E165 VanDerWaalsContact C-N 3.27Å; A163-E165 PolarHBondContact O-N 3.18Å; E165-R302 IonicContact OE1-NH1 3.47Å; E165-R302 IonicContact OE2-CZ 3.71Å; E165-R302 IonicContact OE2-NH1 2.85Å; E165-R302 PolarHBondContact OE2-NH1 2.79Å; E165-R302 IonicContact OE2-NH2 3.79Å; E165-R302 PolarHBondContact OE2-NH2 2.92Å
166G28.8Very low34.7Very low59 Ų5994.8 Ų94.861%0.60858%0.579SS**  trans-62.1169.5174.100000113.3S168G166-S168 PolarHBondContact O-N 3.02Å
167P25.5Very low33.9Very low125 Ų125100.1 Ų100.181%0.81260%0.604SS**  trans-65.2110.7-168.426.5-32.1000110.5E169P167-E169 VanDerWaalsContact C-N 3.31Å; P167-E169 PolarHBondContact O-N 3.16Å; P167-E169 VanDerWaalsContact O-N 3.16Å
168S29.2Very low33.9Very low121 Ų121107.5 Ų107.585%0.84663%0.632SS**  trans-79.690.4158.644.70000107.5G166 G170G166-S168 PolarHBondContact O-N 3.02Å; S168-G170 PolarHBondContact O-N 2.94Å; S168-G170 VanDerWaalsContact O-N 3.07Å
169E30.2Very low33.9Very low186 Ų186107.9 Ų107.987%0.86963%0.629SS**  trans-59.7105.5166.3-71.4-178.8148.600109.4P167P167-E169 VanDerWaalsContact C-N 3.31Å; P167-E169 PolarHBondContact O-N 3.16Å; P167-E169 VanDerWaalsContact O-N 3.16Å
170G25.4Very low34Very low57 Ų57109.3 Ų109.359%0.58865%0.649SS**  trans-114.4126.5154.300000107.7S168 G172S168-G170 PolarHBondContact O-N 2.94Å; S168-G170 VanDerWaalsContact O-N 3.07Å; G170-G172 PolarHBondContact O-N 3.04Å
171P29.1Very low34.6Very low146 Ų146102.2 Ų102.295%0.94863%0.626SS**SBendtrans-72.2100.6178.429.8-31.5000108.3
172G27.8Very low35.7Very low35 Ų3598.4 Ų98.436%0.36162%0.622SS.*  trans171.880.2-179.800000109.6G170 W174G170-G172 PolarHBondContact O-N 3.04Å; G172-W174 VanDerWaalsContact O-CZ3 3.3Å; G172-W174 WeakPolarHBondContact O-CZ3 3.27Å; G172-W174 PolarHBondContact O-N 2.85Å
173G32.9Very low37.1Very low74 Ų74103 Ų10376%0.76364%0.638SS**PPolyproline II helixtrans-54.3122.7148.600000106.1
174W40.5Very low39.2Very low189 Ų189101.4 Ų101.472%0.71662%0.624SS**PPolyproline II helixtrans-65.7131.2-175.1-104.3-104.8000108.4G172 W176G172-W174 VanDerWaalsContact O-CZ3 3.3Å; G172-W174 WeakPolarHBondContact O-CZ3 3.27Å; G172-W174 PolarHBondContact O-N 2.85Å; W174-W176 PolarHBondContact O-N 3.02Å; W174-W176 VanDerWaalsContact O-N 3.15Å
175P33.9Very low41.6Very low90 Ų9099.5 Ų99.558%0.58459%0.592SS**PPolyproline II helixtrans-68120.2-176-9.724.5000108.1E177P175-E177 HydrophobicContact CB-CG 4.07Å; P175-E177 PolarHBondContact O-N 2.83Å
176W42.3Very low44.3Very low127 Ų12793.9 Ų93.948%0.48157%0.566SS.*  trans-55.776.6146.147.6-82.4000107.2P147 N148 W174 Q178 V179P147-W176 HydrophobicContact CB-CD2 3.25Å; P147-W176 VanDerWaalsContact CB-CE2 3.45Å; P147-W176 HydrophobicContact CB-CE3 3.13Å; P147-W176 HydrophobicContact CB-CG 3.93Å; P147-W176 HydrophobicContact CB-CH2 3.52Å; P147-W176 HydrophobicContact CB-CZ2 3.6Å; P147-W176 HydrophobicContact CB-CZ3 3.28Å; P147-W176 HydrophobicContact CG-CD2 4.08Å; P147-W176 HydrophobicContact CG-CE3 3.81Å; P147-W176 HydrophobicContact CG-CH2 3.17Å; P147-W176 HydrophobicContact CG-CZ2 3.45Å; P147-W176 VanDerWaalsContact CG-CZ2 3.45Å; P147-W176 HydrophobicContact CG-CZ3 3.35Å; N148-W176 PolarHBondContact OD1-NE1 3.49Å; W174-W176 PolarHBondContact O-N 3.02Å; W174-W176 VanDerWaalsContact O-N 3.15Å; W176-Q178 VanDerWaalsContact C-N 3.27Å; W176-Q178 PolarHBondContact O-N 2.78Å; W176-V179 HydrophobicContact CB-CG2 4.27Å
177E35.5Very low47.2Very low167 Ų16791.7 Ų91.778%0.7854%0.541SS*.  trans-65.499.8167.8-80.8-162.917100107.2P175P175-E177 HydrophobicContact CB-CG 4.07Å; P175-E177 PolarHBondContact O-N 2.83Å
178Q39.6Very low50.3Low178 Ų17886 Ų8683%0.83250%0.503SS*.  trans6062.3165.4-54.6-177.341.300114.7W176 G180W176-Q178 VanDerWaalsContact C-N 3.27Å; W176-Q178 PolarHBondContact O-N 2.78Å; Q178-G180 PolarHBondContact O-N 2.98Å
179V42.7Very low53.2Low57 Ų5780.5 Ų80.535%0.34547%0.465SS..  trans-57.4128.7144.7-172.10000105.2W176 A181 A184W176-V179 HydrophobicContact CB-CG2 4.27Å; V179-A181 HydrophobicContact CB-CB 4.2Å; V179-A181 HydrophobicContact CG1-CB 4.14Å; V179-A181 PolarHBondContact O-N 3.19Å; V179-A184 HydrophobicContact CG1-CB 4.33Å
180G43.1Very low56.1Low59 Ų5971.7 Ų71.761%0.60842%0.424SS*.  trans-64.266.8154.900000108.2Q178 A182 F183Q178-G180 PolarHBondContact O-N 2.98Å; G180-A182 PolarHBondContact O-N 3.48Å; G180-F183 PolarHBondContact O-N 3.02Å; G180-F183 VanDerWaalsContact O-N 3.1Å
181A49.5Very low59Low19 Ų1970.2 Ų70.216%0.15740%0.403CS..G310 helixtrans-58.1-26.9-164.400000111.4G145 V179 F183G145-A181 WeakPolarHBondContact CA-O 3.17Å; V179-A181 HydrophobicContact CB-CB 4.2Å; V179-A181 HydrophobicContact CG1-CB 4.14Å; V179-A181 PolarHBondContact O-N 3.19Å; A181-F183 PolarHBondContact O-N 3.23Å
182A53.9Low61.7Low79 Ų7963.4 Ų63.465%0.65336%0.359SS*.G310 helixtrans-59.8-13.917800000115.4G180G180-A182 PolarHBondContact O-N 3.48Å
183F66.7Low64.4Low147 Ų14763 Ų6365%0.64535%0.35SS*.G310 helixtrans-141.217.2-174-54.9-73.4000115.8G180 A181 Q185 Y339G180-F183 PolarHBondContact O-N 3.02Å; G180-F183 VanDerWaalsContact O-N 3.1Å; A181-F183 PolarHBondContact O-N 3.23Å; F183-Q185 PolarHBondContact O-N 2.9Å; F183-Y339 PolarHBondContact O-OH 2.73Å
184A78.4Confident66.8Low7 Ų759.6 Ų59.66%0.05832%0.315CS..  trans-69.9131.8178.400000111.2L144 V179 S341L144-A184 HydrophobicContact CB-CB 3.6Å; L144-A184 HydrophobicContact CD1-CB 4.11Å; L144-A184 HydrophobicContact CG-CB 4.48Å; V179-A184 HydrophobicContact CG1-CB 4.33Å; A184-S341 VanDerWaalsContact CA-OG 3.26Å; A184-S341 WeakPolarHBondContact CA-OG 3.41Å
185Q84.9Confident68.8Low47 Ų4752.8 Ų52.822%0.2229%0.291CS..  trans-113.6-43.9-174-69.1-66.2-26.500112.1Q118 F183 F338 Y339 S341Q118-Q185 PolarHBondContact N-O 3.41Å; F183-Q185 PolarHBondContact O-N 2.9Å; Q185-F338 HydrophobicContact CB-CD2 3.92Å; Q185-F338 HydrophobicContact CB-CE2 4.04Å; Q185-Y339 HydrophobicContact CB-CD1 4.26Å; Q185-Y339 HydrophobicContact CB-CE1 4.24Å; Q185-Y339 HydrophobicContact CG-CD1 3.91Å; Q185-Y339 HydrophobicContact CG-CE1 3.66Å; Q185-S341 PolarHBondContact N-OG 2.81Å
186L90.1Very high71Confident2 Ų248.8 Ų48.81%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-145.1126.4-177.7176.459.9000110.3L64 L115 F116 V117 L188 L329 F338 V340 S341L64-L186 HydrophobicContact CD2-CD2 4.02Å; L115-L186 HydrophobicContact CB-CD1 4.17Å; L115-L186 HydrophobicContact CD2-CD1 4.5Å; F116-L186 CarbonylContact O-C 3.59Å; F116-L186 WeakPolarHBondContact O-CA 3.44Å; V117-L186 HydrophobicContact CG2-CD1 4Å; L186-L188 HydrophobicContact CD1-CD2 4.26Å; L186-L188 HydrophobicContact CG-CD2 4.33Å; L186-L329 HydrophobicContact CD2-CD1 4.4Å; L186-F338 HydrophobicContact CB-CE1 4.32Å; L186-F338 HydrophobicContact CB-CE2 4.33Å; L186-F338 HydrophobicContact CB-CZ 3.81Å; L186-F338 HydrophobicContact CD2-CE1 3.88Å; L186-F338 HydrophobicContact CD2-CZ 4.06Å; L186-F338 HydrophobicContact CG-CZ 4.37Å; L186-V340 HydrophobicContact CD2-CG2 3.88Å; L186-V340 HydrophobicContact CG-CG2 4.35Å; L186-S341 PolarHBondContact O-N 2.69Å
187V90.3Very high73Confident13 Ų1344 Ų448%0.07925%0.251CS..EExtended strand (participates in β ladder)trans-117.9128.8172.9176.20000109.4F116 L144 V189 E342F116-V187 HydrophobicContact CB-CB 4.22Å; F116-V187 PolarHBondContact N-O 2.93Å; F116-V187 PolarHBondContact O-N 3.43Å; L144-V187 HydrophobicContact CD1-CG2 4.13Å; L144-V187 HydrophobicContact CD2-CB 4.49Å; L144-V187 HydrophobicContact CD2-CG2 4.02Å; V187-V189 HydrophobicContact CG1-CG2 4.22Å; V187-E342 WeakPolarHBondContact CA-O 3.35Å; V187-E342 HydrophobicContact CG1-CB 4.2Å; V187-E342 HydrophobicContact CG2-CB 4.27Å
188L90.9Very high75.5Confident5 Ų536.2 Ų36.23%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-102.9129177.5-59.1175.2000110.2P60 L64 L115 L186 V340 E342 A343 I344P60-L188 HydrophobicContact CB-CD1 4.16Å; L64-L188 HydrophobicContact CD1-CD1 3.47Å; L64-L188 VanDerWaalsContact CD1-CD1 3.47Å; L64-L188 HydrophobicContact CD2-CD1 4.37Å; L64-L188 HydrophobicContact CG-CD1 4.08Å; L115-L188 HydrophobicContact CB-CD2 4.2Å; L115-L188 HydrophobicContact CD2-CD2 3.57Å; L115-L188 HydrophobicContact CG-CD2 3.47Å; L115-L188 VanDerWaalsContact CG-CD2 3.47Å; L186-L188 HydrophobicContact CD1-CD2 4.26Å; L186-L188 HydrophobicContact CG-CD2 4.33Å; L188-V340 HydrophobicContact CD1-CG1 4.08Å; L188-V340 HydrophobicContact CD1-CG2 4.21Å; L188-V340 HydrophobicContact CG-CG1 4.22Å; L188-E342 PolarHBondContact N-O 2.73Å; L188-A343 HydrophobicContact CB-CB 4.31Å; L188-A343 HydrophobicContact CD1-CB 4.44Å; L188-I344 PolarHBondContact O-N 2.77Å
189V90.2Very high77.7Confident6 Ų635 Ų354%0.03620%0.202CC..EExtended strand (participates in β ladder)trans-126.8112.1173.5-176.20000109.2C113 S114 F116 V187 T191 I344C113-V189 CarbonylContact C-O 3.53Å; C113-V189 WeakPolarHBondContact CA-O 3.38Å; S114-V189 PolarHBondContact N-O 3.45Å; S114-V189 PolarHBondContact O-N 3.26Å; F116-V189 HydrophobicContact CD2-CG2 3.95Å; F116-V189 HydrophobicContact CE2-CB 4.02Å; F116-V189 HydrophobicContact CE2-CG2 3.7Å; V187-V189 HydrophobicContact CG1-CG2 4.22Å; V189-T191 HydrophobicContact CG1-CG2 4.26Å; V189-I344 WeakPolarHBondContact CA-O 3.38Å
190S90.8Very high79.9Confident1 Ų136.6 Ų36.61%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-102.6135.8169.8167.10000110.4G56 A112 I344 H345 K346G56-S190 VanDerWaalsContact C-OG 3.28Å; G56-S190 WeakPolarHBondContact CA-OG 3.31Å; G56-S190 VanDerWaalsContact O-CB 3.3Å; G56-S190 WeakPolarHBondContact O-CB 3.44Å; G56-S190 PolarHBondContact O-OG 3.47Å; A112-S190 WeakPolarHBondContact O-CA 3.3Å; S190-I344 PolarHBondContact N-O 3.04Å; S190-H345 CarbonylContact O-C 3.55Å; S190-H345 WeakPolarHBondContact O-CA 3.24Å; S190-H345 PolarHBondContact OG-ND1 2.6Å; S190-K346 PolarHBondContact O-N 3.01Å
191T86.4Confident82.1Confident26 Ų2638.7 Ų38.716%0.1619%0.194CC..EExtended strand (participates in β ladder)trans-127.3133.817558.90000110.5A112 V189 K346A112-T191 PolarHBondContact N-O 2.83Å; A112-T191 PolarHBondContact O-N 3.33Å; V189-T191 HydrophobicContact CG1-CG2 4.26Å; T191-K346 CarbonylContact C-O 3.56Å; T191-K346 WeakPolarHBondContact CA-O 3.15Å; T191-K346 HydrophobicContact CG2-CB 4.26Å
192M85.6Confident83.9Confident3 Ų337.9 Ų37.92%0.01519%0.187CC..EExtended strand (participates in β ladder)trans-129.2120.6173.4-171.478.9-15800110S53 M109 E110 L111 K346 A347 K348 V394 F395S53-M192 WeakPolarHBondContact OG-CG 3.26Å; M109-M192 HydrophobicContact CE-CE 3.69Å; M109-M192 HydrophobicContact CG-CE 3.14Å; M109-M192 HydrophobicContact SD-CE 3.58Å; M109-M192 VanDerWaalsContact SD-CE 3.58Å; E110-M192 CarbonylContact O-C 3.52Å; E110-M192 WeakPolarHBondContact O-CA 3.44Å; L111-M192 HydrophobicContact CB-CE 4.41Å; L111-M192 HydrophobicContact CB-SD 3.61Å; L111-M192 HydrophobicContact CD1-SD 3.74Å; L111-M192 HydrophobicContact CG-SD 4.13Å; M192-K346 PolarHBondContact N-O 3.35Å; M192-A347 CarbonylContact O-C 3.52Å; M192-A347 VanDerWaalsContact O-CA 3.28Å; M192-A347 WeakPolarHBondContact O-CA 3.48Å; M192-K348 PolarHBondContact O-N 3.4Å; M192-V394 HydrophobicContact CE-CG1 3.45Å; M192-V394 VanDerWaalsContact CE-CG1 3.45Å; M192-V394 HydrophobicContact SD-CG1 4.28Å; M192-F395 HydrophobicContact CB-CZ 4.11Å; M192-F395 HydrophobicContact CE-CE2 3.71Å; M192-F395 HydrophobicContact CE-CZ 4.25Å; M192-F395 HydrophobicContact CG-CE1 3.96Å; M192-F395 HydrophobicContact CG-CE2 3.56Å; M192-F395 HydrophobicContact CG-CZ 3.21Å; M192-F395 HydrophobicContact SD-CE2 4.47Å
193S84.1Confident85.4Confident26 Ų2636 Ų3618%0.18217%0.169CC..EExtended strand (participates in β ladder)trans-121.4141.716943.40000111.7M109 E110 K348M109-S193 WeakPolarHBondContact CA-O 3.36Å; E110-S193 PolarHBondContact N-O 2.81Å; E110-S193 PolarHBondContact O-N 3.03Å; S193-K348 WeakPolarHBondContact CA-O 3.42Å
194F84Confident86.3Confident4 Ų432.9 Ų32.92%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-135.9127.1175.3-179.8-92000111.7E108 M109 Y251 V256 K348 I349 E350 L385 F395E108-F194 WeakPolarHBondContact O-CA 3.5Å; M109-F194 HydrophobicContact CB-CD2 4.04Å; M109-F194 HydrophobicContact CG-CD2 4.01Å; M109-F194 HydrophobicContact SD-CD2 3.86Å; M109-F194 HydrophobicContact SD-CE2 4.32Å; F194-Y251 HydrophobicContact CE1-CD2 4.38Å; F194-Y251 AromaticContact CE1-CE1 4Å; F194-Y251 HydrophobicContact CE1-CE1 4Å; F194-Y251 AromaticContact CE1-CE2 3.72Å; F194-Y251 HydrophobicContact CE1-CE2 3.72Å; F194-Y251 AromaticContact CE1-CZ 3.51Å; F194-Y251 HydrophobicContact CZ-CD1 4.25Å; F194-Y251 AromaticContact CZ-CD2 3.77Å; F194-Y251 HydrophobicContact CZ-CD2 3.77Å; F194-Y251 HydrophobicContact CZ-CE1 4.09Å; F194-Y251 AromaticContact CZ-CE2 3.57Å; F194-Y251 HydrophobicContact CZ-CE2 3.57Å; F194-Y251 HydrophobicContact CZ-CG 4.11Å; F194-Y251 AromaticContact CZ-CZ 3.75Å; F194-V256 HydrophobicContact CE2-CB 4.22Å; F194-V256 HydrophobicContact CE2-CG1 4.15Å; F194-V256 HydrophobicContact CE2-CG2 4.23Å; F194-V256 HydrophobicContact CZ-CB 4.47Å; F194-V256 HydrophobicContact CZ-CG1 4.25Å; F194-K348 PolarHBondContact N-O 2.92Å; F194-I349 HydrophobicContact CD1-CD1 4.37Å; F194-I349 HydrophobicContact CD1-CG1 4.12Å; F194-E350 PolarHBondContact O-N 3.46Å; F194-L385 HydrophobicContact CB-CD1 4.18Å; F194-L385 HydrophobicContact CD1-CD1 3.4Å; F194-L385 HydrophobicContact CD1-CD2 4.46Å; F194-L385 HydrophobicContact CD2-CD1 4.02Å; F194-L385 HydrophobicContact CE1-CD1 3.67Å; F194-L385 HydrophobicContact CE1-CD2 3.89Å; F194-L385 HydrophobicContact CE1-CG 4.48Å; F194-L385 HydrophobicContact CE2-CD1 4.26Å; F194-L385 HydrophobicContact CG-CD1 3.58Å; F194-L385 HydrophobicContact CZ-CD1 4.09Å; F194-L385 HydrophobicContact CZ-CD2 4.01Å; F194-F395 HydrophobicContact CB-CD2 4.45Å; F194-F395 HydrophobicContact CB-CE2 3.55Å; F194-F395 HydrophobicContact CB-CZ 3.83Å; F194-F395 HydrophobicContact CG-CE2 4.34Å
195Q82.4Confident86.7Confident45 Ų4538.2 Ų38.221%0.2120%0.197CC..EExtended strand (participates in β ladder)trans-137.6122167.9-177.61733.100108.3E108 E354E108-Q195 WeakPolarHBondContact CA-O 3.48Å; E108-Q195 PolarHBondContact N-O 2.8Å; E108-Q195 PolarHBondContact O-N 3.32Å; E108-Q195 VanDerWaalsContact O-O 3.1Å; Q195-E354 PolarHBondContact NE2-OE1 3.35Å
196G79.7Confident86.8Confident6 Ų639.9 Ų39.96%0.06221%0.205CC..EExtended strand (participates in β ladder)trans-124.6143.5-175.200000112.8Y251G196-Y251 VanDerWaalsContact C-CD1 3.43Å; G196-Y251 VanDerWaalsContact CA-CD1 3.46Å; G196-Y251 WeakPolarHBondContact O-CE1 2.91Å
197T84.9Confident86.7Confident26 Ų2641.1 Ų41.116%0.1621%0.213CC..  trans-87.1123.4165.5-59.40000109.2G106 Y251 L252G106-T197 WeakPolarHBondContact O-CA 3.5Å; G106-T197 WeakPolarHBondContact O-CB 3.48Å; G106-T197 PolarHBondContact O-N 2.72Å; T197-Y251 WeakPolarHBondContact O-CA 3.5Å; T197-Y251 WeakPolarHBondContact O-CD1 3.36Å; T197-L252 HydrophobicContact CG2-CB 4.38Å; T197-L252 HydrophobicContact CG2-CD2 4.26Å; T197-L252 WeakPolarHBondContact O-CB 3.42Å; T197-L252 PolarHBondContact O-N 3.01Å
198W87.4Confident86.7Confident4 Ų445.8 Ų45.82%0.01523%0.234CC..BIsolated β-bridgetrans-61.5146.6178-57.1105000112.8K200 R201 F202 L249 Y251 L258 L298 V351 L352W198-K200 VanDerWaalsContact C-N 3.26Å; W198-K200 VanDerWaalsContact CB-O 3.23Å; W198-K200 WeakPolarHBondContact CB-O 3.43Å; W198-K200 PolarHBondContact O-N 2.91Å; W198-R201 HydrophobicContact CB-CG 4.31Å; W198-F202 AromaticContact CD1-CD2 3.79Å; W198-F202 HydrophobicContact CD2-CD2 4.38Å; W198-F202 HydrophobicContact CD2-CE2 4.13Å; W198-F202 AromaticContact CE2-CD2 3.96Å; W198-F202 AromaticContact CE2-CE2 3.76Å; W198-F202 HydrophobicContact CG-CD2 4.24Å; W198-F202 HydrophobicContact CG-CE2 4.41Å; W198-F202 HydrophobicContact CZ2-CE2 4.03Å; W198-F202 AromaticContact NE1-CD2 3.58Å; W198-F202 AromaticContact NE1-CE2 3.89Å; W198-L249 HydrophobicContact CE3-CB 4.12Å; W198-L249 HydrophobicContact CH2-CB 4.49Å; W198-L249 HydrophobicContact CH2-CD1 4.34Å; W198-L249 HydrophobicContact CZ3-CB 3.65Å; W198-L249 HydrophobicContact CZ3-CD1 4.23Å; W198-Y251 HydrophobicContact CD2-CD1 4.39Å; W198-Y251 AromaticContact CD2-CE1 3.94Å; W198-Y251 HydrophobicContact CD2-CE1 3.94Å; W198-Y251 HydrophobicContact CE3-CD1 4.05Å; W198-Y251 AromaticContact CE3-CE1 3.68Å; W198-Y251 HydrophobicContact CE3-CE1 3.68Å; W198-Y251 HydrophobicContact CE3-CE2 4.36Å; W198-Y251 AromaticContact CE3-CZ 3.86Å; W198-Y251 HydrophobicContact CH2-CE1 4.11Å; W198-Y251 HydrophobicContact CH2-CE2 4.43Å; W198-Y251 AromaticContact CH2-CZ 3.69Å; W198-Y251 VanDerWaalsContact CH2-OH 3.23Å; W198-Y251 WeakPolarHBondContact CH2-OH 2.93Å; W198-Y251 HydrophobicContact CZ2-CE1 4.34Å; W198-Y251 HydrophobicContact CZ3-CD1 4.44Å; W198-Y251 AromaticContact CZ3-CE1 3.76Å; W198-Y251 HydrophobicContact CZ3-CE1 3.76Å; W198-Y251 AromaticContact CZ3-CE2 3.86Å; W198-Y251 HydrophobicContact CZ3-CE2 3.86Å; W198-Y251 AromaticContact CZ3-CZ 3.43Å; W198-Y251 VanDerWaalsContact CZ3-CZ 3.43Å; W198-Y251 WeakPolarHBondContact CZ3-OH 2.68Å; W198-L258 HydrophobicContact CH2-CB 4.27Å; W198-L258 HydrophobicContact CH2-CD2 3.64Å; W198-L258 HydrophobicContact CZ3-CB 4.06Å; W198-L258 HydrophobicContact CZ3-CD2 4.25Å; W198-L298 HydrophobicContact CH2-CD2 4.06Å; W198-L298 HydrophobicContact CZ2-CD2 4.03Å; W198-V351 HydrophobicContact CH2-CG1 4.24Å; W198-V351 HydrophobicContact CZ2-CG1 3.73Å; W198-L352 PolarHBondContact NE1-O 3.42Å
199R86.6Confident86.7Confident154 Ų15450.8 Ų50.858%0.58126%0.259SS*.SBendtrans-62.7-37.8167.3-175.8176.8177.21710.7111.4P250R199-P250 HydrophobicContact CB-CB 4.38Å; R199-P250 HydrophobicContact CB-CG 4.13Å; R199-P250 WeakPolarHBondContact CB-O 3.39Å; R199-P250 PolarHBondContact N-O 3.46Å
200K88.6Confident86.7Confident90 Ų9052.2 Ų52.239%0.39127%0.266SS..SBendtrans-122.6106.7170.4-67.8-176.2-177.3175.40108.2W198 Q227 A229 E230W198-K200 VanDerWaalsContact C-N 3.26Å; W198-K200 VanDerWaalsContact CB-O 3.23Å; W198-K200 WeakPolarHBondContact CB-O 3.43Å; W198-K200 PolarHBondContact O-N 2.91Å; K200-Q227 PolarHBondContact O-NE2 2.58Å; K200-Q227 PolarHBondContact O-OE1 3.32Å; K200-A229 HydrophobicContact CD-CB 3.88Å; K200-E230 PolarHBondContact NZ-O 2.86Å
201R88.1Confident86.7Confident103 Ų10354.6 Ų54.639%0.38928%0.282SS..PPolyproline II helixtrans-75.9145.9-171.7-62.9171.5169.7138.11.6111.9W198 E354 G355W198-R201 HydrophobicContact CB-CG 4.31Å; R201-E354 WeakPolarHBondContact CD-O 3.34Å; R201-E354 VanDerWaalsContact CG-O 3.27Å; R201-E354 WeakPolarHBondContact CG-O 3.48Å; R201-E354 PolarHBondContact NE-O 2.84Å; R201-G355 VanDerWaalsContact CD-CA 3.42Å
202F88.4Confident86.9Confident2 Ų253.3 Ų53.31%0.00927%0.274CS..PPolyproline II helixtrans-77141.6166.9-65.8-96.1000108.9W198 M225 H226 Q227 L249 V296 L298 E353W198-F202 AromaticContact CD1-CD2 3.79Å; W198-F202 HydrophobicContact CD2-CD2 4.38Å; W198-F202 HydrophobicContact CD2-CE2 4.13Å; W198-F202 AromaticContact CE2-CD2 3.96Å; W198-F202 AromaticContact CE2-CE2 3.76Å; W198-F202 HydrophobicContact CG-CD2 4.24Å; W198-F202 HydrophobicContact CG-CE2 4.41Å; W198-F202 HydrophobicContact CZ2-CE2 4.03Å; W198-F202 AromaticContact NE1-CD2 3.58Å; W198-F202 AromaticContact NE1-CE2 3.89Å; F202-M225 HydrophobicContact CB-CB 4.11Å; F202-M225 HydrophobicContact CB-SD 4.42Å; F202-M225 HydrophobicContact CD1-CB 3.52Å; F202-M225 HydrophobicContact CD2-CE 4.35Å; F202-M225 HydrophobicContact CD2-SD 4.45Å; F202-M225 HydrophobicContact CE1-CB 4.01Å; F202-M225 HydrophobicContact CE2-CE 4.37Å; F202-M225 HydrophobicContact CG-CB 3.86Å; F202-M225 HydrophobicContact CG-SD 4.36Å; F202-H226 WeakPolarHBondContact CD1-O 3.3Å; F202-Q227 HydrophobicContact CD1-CB 3.9Å; F202-Q227 HydrophobicContact CD1-CG 3.79Å; F202-Q227 HydrophobicContact CE1-CB 4.17Å; F202-Q227 HydrophobicContact CE1-CG 3.57Å; F202-Q227 HydrophobicContact CG-CG 4.49Å; F202-Q227 HydrophobicContact CZ-CG 4.09Å; F202-L249 HydrophobicContact CE2-CD1 4.45Å; F202-L249 HydrophobicContact CZ-CD1 4.15Å; F202-V296 HydrophobicContact CE1-CG1 4.45Å; F202-V296 HydrophobicContact CZ-CG1 4.34Å; F202-L298 HydrophobicContact CE1-CB 4.45Å; F202-L298 HydrophobicContact CE2-CD2 4.39Å; F202-L298 HydrophobicContact CZ-CB 4.16Å; F202-L298 HydrophobicContact CZ-CD2 4.2Å; F202-E353 HydrophobicContact CB-CB 4.21Å; F202-E353 HydrophobicContact CB-CG 3.94Å
203S85.8Confident87.1Confident40 Ų4056 Ų5628%0.2829%0.29SS..PPolyproline II helixtrans-84.2127.1171.6-172.90000109.4T205 E206 T207S203-T205 PolarHBondContact O-N 3.27Å; S203-T205 VanDerWaalsContact O-N 3.11Å; S203-T205 PolarHBondContact OG-N 3.14Å; S203-T205 PolarHBondContact OG-OG1 2.97Å; S203-E206 PolarHBondContact O-N 3.44Å; S203-T207 PolarHBondContact O-N 2.99Å
204S85.9Confident87.2Confident80 Ų8054.9 Ų54.956%0.55928%0.283SS*.THydrogen-bonded Turntrans-59.7-22.5173.958.60000113.2E206S204-E206 VanDerWaalsContact C-N 3.32Å
205T86.7Confident86.9Confident119 Ų11956.7 Ų56.773%0.7330%0.299SS*.THydrogen-bonded Turntrans-76.5-18.7174.7650000113.5S203S203-T205 PolarHBondContact O-N 3.27Å; S203-T205 VanDerWaalsContact O-N 3.11Å; S203-T205 PolarHBondContact OG-N 3.14Å; S203-T205 PolarHBondContact OG-OG1 2.97Å
206E87.1Confident86.7Confident82 Ų8259 Ų5938%0.38331%0.309SS..THydrogen-bonded Turntrans-94.4-9.4177.1-66.8-172.2173.300112S203 S204 Q208 H226S203-E206 PolarHBondContact O-N 3.44Å; S204-E206 VanDerWaalsContact C-N 3.32Å; E206-Q208 PolarHBondContact O-N 2.93Å; E206-H226 HydrophobicContact CB-CB 4.47Å; E206-H226 IonicContact OE2-ND1 2.88Å
207T87.9Confident86.8Confident29 Ų2961 Ų6118%0.17833%0.331CS..  trans-67.3125.4173.6-60.80000110.8S203 P223 M224 M225 E353S203-T207 PolarHBondContact O-N 2.99Å; T207-P223 HydrophobicContact CG2-CB 4.16Å; T207-M224 WeakPolarHBondContact CA-O 3.33Å; T207-M225 HydrophobicContact CG2-CG 4.5Å; T207-E353 WeakPolarHBondContact CB-OE1 3.44Å; T207-E353 WeakPolarHBondContact CG2-OE1 3.33Å; T207-E353 PolarHBondContact OG1-OE1 3.4Å
208Q89.3Confident86.8Confident110 Ų11063.4 Ų63.451%0.51434%0.342SS..EExtended strand (participates in β ladder)trans-128.7152.1-176.9-66.8175.627.600110.9E206 L210 M224E206-Q208 PolarHBondContact O-N 2.93Å; Q208-L210 HydrophobicContact CB-CG 4.17Å; Q208-L210 PolarHBondContact O-N 3.19Å; Q208-M224 PolarHBondContact N-O 3.46Å; Q208-M224 WeakPolarHBondContact O-CB 3.44Å; Q208-M224 PolarHBondContact O-N 3.22Å
209I90.4Very high86.8Confident110 Ų11066.9 Ų66.956%0.56436%0.364SS*.EExtended strand (participates in β ladder)trans-75.7112.9170.2-58.3-57.1000108.2Q221 V222 P223I209-Q221 HydrophobicContact CG2-CB 3.61Å; I209-Q221 HydrophobicContact CG2-CG 4.35Å; I209-V222 WeakPolarHBondContact CA-O 3.35Å; I209-P223 HydrophobicContact CD1-CB 4.28Å
210L90.1Very high86.9Confident36 Ų3660.3 Ų60.319%0.18834%0.34CS..EExtended strand (participates in β ladder)trans-128.7154.3-177.4-67.6-178.7000111.5Q208 Q221 V222 M224 F297Q208-L210 HydrophobicContact CB-CG 4.17Å; Q208-L210 PolarHBondContact O-N 3.19Å; L210-Q221 VanDerWaalsContact C-OE1 3.24Å; L210-V222 PolarHBondContact N-O 3.43Å; L210-V222 PolarHBondContact O-N 3.14Å; L210-M224 HydrophobicContact CB-CB 3.83Å; L210-M224 HydrophobicContact CB-CG 4.35Å; L210-M224 HydrophobicContact CD1-CB 3.88Å; L210-M224 HydrophobicContact CD1-CG 3.9Å; L210-M224 HydrophobicContact CG-CB 4.07Å; L210-F297 HydrophobicContact CD1-CD1 3.79Å; L210-F297 HydrophobicContact CD1-CE1 3.89Å
211P91.6Very high86.8Confident51 Ų5161.7 Ų61.733%0.33135%0.348SS..EExtended strand (participates in β ladder)trans-68.2135.9178.726.4-34.1000111.8V219 L220P211-V219 HydrophobicContact CB-CG1 3.47Å; P211-V219 VanDerWaalsContact CB-CG1 3.47Å; P211-L220 CarbonylContact C-O 3.58Å; P211-L220 WeakPolarHBondContact CA-O 3.38Å
212F90.8Very high86.8Confident0 Ų057 Ų570%033%0.33CS..EExtended strand (participates in β ladder)trans-120.8123.1169.7-174.6-79.5000108.8V219 L220 V222 A377 D378 R379 F381 I399 I401F212-V219 CarbonylContact O-C 3.53Å; F212-V219 WeakPolarHBondContact O-CA 3.28Å; F212-L220 PolarHBondContact N-O 3.02Å; F212-L220 PolarHBondContact O-N 3.18Å; F212-V222 HydrophobicContact CB-CG1 4.06Å; F212-V222 HydrophobicContact CB-CG2 3.78Å; F212-A377 WeakPolarHBondContact CE2-O 3.35Å; F212-D378 CarbonylContact C-O 3.5Å; F212-D378 WeakPolarHBondContact CA-O 3.42Å; F212-R379 WeakPolarHBondContact CZ-O 3.45Å; F212-F381 HydrophobicContact CE2-CD1 4.35Å; F212-F381 HydrophobicContact CE2-CE1 4.19Å; F212-I399 HydrophobicContact CZ-CG2 4.3Å; F212-I401 HydrophobicContact CD1-CB 3.9Å; F212-I401 HydrophobicContact CD1-CD1 3.85Å; F212-I401 HydrophobicContact CD1-CG1 4.01Å; F212-I401 HydrophobicContact CD2-CD1 3.9Å; F212-I401 HydrophobicContact CE1-CB 3.67Å; F212-I401 HydrophobicContact CE1-CD1 3.92Å; F212-I401 HydrophobicContact CE1-CG1 3.66Å; F212-I401 HydrophobicContact CE2-CD1 3.97Å; F212-I401 HydrophobicContact CE2-CG1 4.3Å; F212-I401 HydrophobicContact CG-CD1 3.85Å; F212-I401 HydrophobicContact CG-CG1 4.49Å; F212-I401 HydrophobicContact CZ-CB 4.33Å; F212-I401 HydrophobicContact CZ-CD1 3.98Å; F212-I401 HydrophobicContact CZ-CG1 3.81Å
213T90.3Very high86.8Confident58 Ų5857.8 Ų57.836%0.35634%0.336SS..EExtended strand (participates in β ladder)trans-87.9108.2179.3-49.70000108.9L218 D378 R379 P380T213-L218 CarbonylContact C-O 3.29Å; T213-D378 PolarHBondContact N-O 2.91Å; T213-R379 WeakPolarHBondContact O-CA 3.37Å; T213-P380 WeakPolarHBondContact O-CD 3.44Å
214C84.5Confident87Confident4 Ų455.9 Ų55.93%0.02732%0.322CS..  trans-63.7165.2176.6-58.40000112.2Q216 G217 L218 L220 I401C214-Q216 PolarHBondContact O-N 2.69Å; C214-G217 PolarHBondContact O-N 2.57Å; C214-L218 HydrophobicContact CB-CB 4.17Å; C214-L218 VanDerWaalsContact CB-O 3.24Å; C214-L218 WeakPolarHBondContact CB-O 3.27Å; C214-L218 PolarHBondContact N-O 3.03Å; C214-L218 PolarHBondContact SG-O 3.44Å; C214-L220 WeakPolarHBondContact SG-CD1 3.22Å; C214-L220 VanDerWaalsContact SG-CG 3.57Å; C214-I401 WeakPolarHBondContact CB-O 3.36Å; C214-I401 PolarHBondContact SG-O 3.32Å
215A78.4Confident87.4Confident42 Ų4252 Ų5235%0.34730%0.296SS..THydrogen-bonded Turntrans-58.5-31.617800000113.8G217 P380 Q400A215-G217 PolarHBondContact O-N 2.89Å; A215-P380 HydrophobicContact CB-CG 3.96Å; A215-Q400 HydrophobicContact CB-CG 3.58Å
216Q77.9Confident87.7Confident92 Ų9248 Ų4843%0.4327%0.269SS..THydrogen-bonded Turntrans-82.37.4177.5-57.278.314.900112.9C214 L218C214-Q216 PolarHBondContact O-N 2.69Å; Q216-L218 PolarHBondContact O-N 3.03Å
217G81.9Confident87.8Confident50 Ų5044.8 Ų44.852%0.51525%0.253SS..SBendtrans80.3-4-176.300000114.8C214 A215C214-G217 PolarHBondContact O-N 2.57Å; A215-G217 PolarHBondContact O-N 2.89Å
218L85.3Confident88Confident76 Ų7647.4 Ų47.440%0.39827%0.265SS..  trans-65138.3174.3-177.969.5000110.7T213 C214 Q216 L220 Y403T213-L218 CarbonylContact C-O 3.29Å; C214-L218 HydrophobicContact CB-CB 4.17Å; C214-L218 VanDerWaalsContact CB-O 3.24Å; C214-L218 WeakPolarHBondContact CB-O 3.27Å; C214-L218 PolarHBondContact N-O 3.03Å; C214-L218 PolarHBondContact SG-O 3.44Å; Q216-L218 PolarHBondContact O-N 3.03Å; L218-L220 HydrophobicContact CD2-CD2 3.87Å; L218-L220 HydrophobicContact CD2-CG 4.31Å; L218-L220 HydrophobicContact CG-CD2 4.31Å; L218-Y403 HydrophobicContact CD2-CD2 3.6Å; L218-Y403 HydrophobicContact CD2-CG 4.03Å
219V88Confident87.9Confident77 Ų7742.5 Ų42.547%0.46724%0.243SC..EExtended strand (participates in β ladder)trans-101.1122.2175.1-1780000110.4P211 F212P211-V219 HydrophobicContact CB-CG1 3.47Å; P211-V219 VanDerWaalsContact CB-CG1 3.47Å; F212-V219 CarbonylContact O-C 3.53Å; F212-V219 WeakPolarHBondContact O-CA 3.28Å
220L87.1Confident88Confident15 Ų1543.3 Ų43.38%0.07924%0.244CC..EExtended strand (participates in β ladder)trans-109.5152.1174.9-64.7179.8000111.1P211 F212 C214 L218 V222 I401 Y403 L406P211-L220 CarbonylContact C-O 3.58Å; P211-L220 WeakPolarHBondContact CA-O 3.38Å; F212-L220 PolarHBondContact N-O 3.02Å; F212-L220 PolarHBondContact O-N 3.18Å; C214-L220 WeakPolarHBondContact SG-CD1 3.22Å; C214-L220 VanDerWaalsContact SG-CG 3.57Å; L218-L220 HydrophobicContact CD2-CD2 3.87Å; L218-L220 HydrophobicContact CD2-CG 4.31Å; L218-L220 HydrophobicContact CG-CD2 4.31Å; L220-V222 HydrophobicContact CB-CG1 4.42Å; L220-I401 HydrophobicContact CD1-CG2 3.61Å; L220-Y403 HydrophobicContact CD2-CD2 4.21Å; L220-L406 HydrophobicContact CD1-CD1 4.1Å; L220-L406 HydrophobicContact CD2-CD1 3.82Å
221Q87.4Confident88.2Confident119 Ų11942 Ų4256%0.55624%0.238SC*.EExtended strand (participates in β ladder)trans-95.6119.3174.4-67.3-62.6-16.700108.9I209 L210I209-Q221 HydrophobicContact CG2-CB 3.61Å; I209-Q221 HydrophobicContact CG2-CG 4.35Å; L210-Q221 VanDerWaalsContact C-OE1 3.24Å
222V88.5Confident88.4Confident4 Ų441.8 Ų41.82%0.02423%0.234CC..EExtended strand (participates in β ladder)trans-128.5148.9-175.5-55.90000111.2I209 L210 F212 L220 M224 P299 I401I209-V222 WeakPolarHBondContact CA-O 3.35Å; L210-V222 PolarHBondContact N-O 3.43Å; L210-V222 PolarHBondContact O-N 3.14Å; F212-V222 HydrophobicContact CB-CG1 4.06Å; F212-V222 HydrophobicContact CB-CG2 3.78Å; L220-V222 HydrophobicContact CB-CG1 4.42Å; V222-M224 HydrophobicContact CG2-CE 3.9Å; V222-M224 PolarHBondContact O-N 3.22Å; V222-M224 VanDerWaalsContact O-N 3.1Å; V222-P299 HydrophobicContact CG2-CB 4.28Å; V222-I401 HydrophobicContact CG1-CD1 3.93Å
223P89Confident88.6Confident19 Ų1942.8 Ų42.812%0.12324%0.238CC..EExtended strand (participates in β ladder)trans-63.1111.4168.626.3-33000109.7T207 I209 P299 R300 V414T207-P223 HydrophobicContact CG2-CB 4.16Å; I209-P223 HydrophobicContact CD1-CB 4.28Å; P223-P299 WeakPolarHBondContact O-CA 3.38Å; P223-R300 HydrophobicContact CB-CB 4.32Å; P223-R300 HydrophobicContact CG-CB 4.16Å; P223-R300 PolarHBondContact O-N 2.98Å; P223-V414 HydrophobicContact CG-CG2 4.49Å
224M89.9Confident88.9Confident0 Ų040.5 Ų40.50%023%0.225CC..EExtended strand (participates in β ladder)trans-108.4112.5-179.3-168.375.864.600108.7T207 Q208 L210 V222 F297 P299 D378T207-M224 WeakPolarHBondContact CA-O 3.33Å; Q208-M224 PolarHBondContact N-O 3.46Å; Q208-M224 WeakPolarHBondContact O-CB 3.44Å; Q208-M224 PolarHBondContact O-N 3.22Å; L210-M224 HydrophobicContact CB-CB 3.83Å; L210-M224 HydrophobicContact CB-CG 4.35Å; L210-M224 HydrophobicContact CD1-CB 3.88Å; L210-M224 HydrophobicContact CD1-CG 3.9Å; L210-M224 HydrophobicContact CG-CB 4.07Å; V222-M224 HydrophobicContact CG2-CE 3.9Å; V222-M224 PolarHBondContact O-N 3.22Å; V222-M224 VanDerWaalsContact O-N 3.1Å; M224-F297 HydrophobicContact CG-CB 3.83Å; M224-F297 HydrophobicContact CG-CD1 4Å; M224-F297 HydrophobicContact CG-CG 4.42Å; M224-F297 HydrophobicContact SD-CB 4.05Å; M224-P299 HydrophobicContact SD-CB 4.26Å; M224-P299 VanDerWaalsContact SD-N 3.38Å; M224-D378 HydrophobicContact CE-CB 4.31Å
225M93.1Very high89.4Confident0 Ų045.8 Ų45.80%025%0.25CC..EExtended strand (participates in β ladder)trans-70.9142.6173.3-51.8-176.9-66.600108.9F202 T207 F297 L298 R300 V351 E353F202-M225 HydrophobicContact CB-CB 4.11Å; F202-M225 HydrophobicContact CB-SD 4.42Å; F202-M225 HydrophobicContact CD1-CB 3.52Å; F202-M225 HydrophobicContact CD2-CE 4.35Å; F202-M225 HydrophobicContact CD2-SD 4.45Å; F202-M225 HydrophobicContact CE1-CB 4.01Å; F202-M225 HydrophobicContact CE2-CE 4.37Å; F202-M225 HydrophobicContact CG-CB 3.86Å; F202-M225 HydrophobicContact CG-SD 4.36Å; T207-M225 HydrophobicContact CG2-CG 4.5Å; M225-F297 WeakPolarHBondContact O-CA 3.43Å; M225-L298 WeakPolarHBondContact CB-O 3.34Å; M225-L298 HydrophobicContact CE-CB 4.25Å; M225-L298 HydrophobicContact CE-CD2 3.79Å; M225-L298 HydrophobicContact CE-CG 3.96Å; M225-L298 PolarHBondContact N-O 2.77Å; M225-L298 PolarHBondContact O-N 2.86Å; M225-R300 HydrophobicContact CG-CB 4.24Å; M225-R300 HydrophobicContact SD-CB 4.38Å; M225-V351 HydrophobicContact CE-CG1 3.97Å; M225-E353 HydrophobicContact CG-CG 3.99Å; M225-E353 HydrophobicContact SD-CB 4.46Å; M225-E353 HydrophobicContact SD-CG 3.69Å
226H92.6Very high90.1Very high35 Ų3545.2 Ų45.216%0.16224%0.24CC..EExtended strand (participates in β ladder)trans-129142.2178.2171.4-114.6000110.5F202 E206 D295 V296 F297F202-H226 WeakPolarHBondContact CD1-O 3.3Å; E206-H226 HydrophobicContact CB-CB 4.47Å; E206-H226 IonicContact OE2-ND1 2.88Å; H226-D295 IonicContact CE1-OD1 3.78Å; H226-D295 IonicContact NE2-OD1 3.74Å; H226-D295 PolarHBondContact NE2-OD1 3.22Å; H226-V296 WeakPolarHBondContact CA-O 3.41Å; H226-F297 HydrophobicContact CB-CD1 4.02Å; H226-F297 HydrophobicContact CB-CE1 3.9Å; H226-F297 AromaticContact CD2-CE1 3.54Å; H226-F297 AromaticContact CD2-CE2 3.75Å; H226-F297 AromaticContact CD2-CZ 3.39Å; H226-F297 WeakPolarHBondContact CD2-CZ 3.41Å; H226-F297 AromaticContact CG-CE1 3.79Å; H226-F297 AromaticContact NE2-CZ 3.91Å
227Q90.3Very high90.7Very high13 Ų1346.5 Ų46.56%0.06125%0.246CC..EExtended strand (participates in β ladder)trans-151151.8164.467.1176.4-49.200110.6K200 F202 A229 V296K200-Q227 PolarHBondContact O-NE2 2.58Å; K200-Q227 PolarHBondContact O-OE1 3.32Å; F202-Q227 HydrophobicContact CD1-CB 3.9Å; F202-Q227 HydrophobicContact CD1-CG 3.79Å; F202-Q227 HydrophobicContact CE1-CB 4.17Å; F202-Q227 HydrophobicContact CE1-CG 3.57Å; F202-Q227 HydrophobicContact CG-CG 4.49Å; F202-Q227 HydrophobicContact CZ-CG 4.09Å; Q227-A229 HydrophobicContact CG-CB 4.28Å; Q227-V296 HydrophobicContact CG-CB 4.28Å; Q227-V296 PolarHBondContact N-O 3.06Å; Q227-V296 VanDerWaalsContact N-O 3.11Å; Q227-V296 PolarHBondContact O-N 3Å
228M91Very high90.8Very high85 Ų8544.5 Ų44.542%0.41922%0.223SC..EExtended strand (participates in β ladder)trans-99.5115.3162.8-178.3-175.8-65.800109.4R293 I372M228-R293 PolarHBondContact SD-NH2 2.86Å; M228-I372 HydrophobicContact CE-CD1 3.51Å; M228-I372 HydrophobicContact SD-CD1 3.79Å
229A88.8Confident90.7Very high7 Ų745.4 Ų45.46%0.05823%0.232CC..EExtended strand (participates in β ladder)trans-145.5154.8-176.100000113K200 Q227 V231 M294K200-A229 HydrophobicContact CD-CB 3.88Å; Q227-A229 HydrophobicContact CG-CB 4.28Å; A229-V231 HydrophobicContact CB-CG1 4.09Å; A229-M294 PolarHBondContact N-O 2.72Å; A229-M294 VanDerWaalsContact N-O 3.1Å; A229-M294 PolarHBondContact O-N 3.35Å
230E91.9Very high90.6Very high126 Ų12644.1 Ų44.159%0.58923%0.229SC*.EExtended strand (participates in β ladder)trans-73.8123.7157.8-56.9-176.5144.900109.4K200 A292 R293K200-E230 PolarHBondContact NZ-O 2.86Å; E230-A292 WeakPolarHBondContact CA-O 3.33Å; E230-R293 HydrophobicContact CG-CB 4.49Å
231V93.8Very high90.6Very high9 Ų945.1 Ų45.16%0.05524%0.244CC..EExtended strand (participates in β ladder)trans-135.2161.1-174-67.50000109.8A229 L247 L249 R291 A292 M294 V296A229-V231 HydrophobicContact CB-CG1 4.09Å; V231-L247 HydrophobicContact CB-CD1 3.6Å; V231-L247 HydrophobicContact CG1-CD1 4.25Å; V231-L247 HydrophobicContact CG2-CD1 3.41Å; V231-L247 VanDerWaalsContact CG2-CD1 3.41Å; V231-L249 HydrophobicContact CG1-CD2 3.76Å; V231-R291 CarbonylContact O-C 3.55Å; V231-R291 WeakPolarHBondContact O-CA 3.45Å; V231-A292 WeakPolarHBondContact CG2-O 3.41Å; V231-A292 PolarHBondContact N-O 3.23Å; V231-A292 PolarHBondContact O-N 2.87Å; V231-M294 HydrophobicContact CG2-CB 3.98Å; V231-M294 HydrophobicContact CG2-CG 3.96Å; V231-M294 HydrophobicContact CG2-SD 3.98Å; V231-V296 HydrophobicContact CG1-CG2 4.12Å; V231-V296 HydrophobicContact CG2-CG2 4.45Å
232N95.4Very high90.6Very high47 Ų4741.4 Ų41.425%0.25123%0.226SC..EExtended strand (participates in β ladder)trans-90121.4171.6-73.7-23.9000108.3E248 L289 R291N232-E248 HydrophobicContact CB-CB 3.99Å; N232-E248 VanDerWaalsContact CB-OE2 3.31Å; N232-E248 WeakPolarHBondContact CB-OE2 3.37Å; N232-E248 PolarHBondContact ND2-OE2 3.11Å; N232-E248 PolarHBondContact O-N 2.65Å; N232-L289 HydrophobicContact CB-CB 3.95Å; N232-L289 HydrophobicContact CB-CD1 4.06Å; N232-R291 WeakPolarHBondContact OD1-CG 3.43Å
233Y96.6Very high90.8Very high21 Ų2145 Ų458%0.08224%0.243CC..EExtended strand (participates in β ladder)trans-139148.1-174.2175.9-107.5000111.7Q235 V246 L247 R264 R290 M294 F375Y233-Q235 HydrophobicContact CE1-CG 3.75Å; Y233-Q235 WeakPolarHBondContact OH-CG 3.3Å; Y233-V246 CarbonylContact C-O 3.58Å; Y233-V246 WeakPolarHBondContact CA-O 3.46Å; Y233-V246 WeakPolarHBondContact CD2-O 3.48Å; Y233-L247 HydrophobicContact CD2-CB 4.32Å; Y233-L247 HydrophobicContact CD2-CD1 4.4Å; Y233-R264 PolarHBondContact OH-NH1 2.71Å; Y233-R290 PolarHBondContact N-O 3.15Å; Y233-R290 PolarHBondContact O-N 2.97Å; Y233-M294 VanDerWaalsContact CB-SD 3.58Å; Y233-M294 HydrophobicContact CD1-CE 3.92Å; Y233-M294 HydrophobicContact CD1-SD 3.64Å; Y233-M294 HydrophobicContact CD2-CE 4.22Å; Y233-M294 HydrophobicContact CD2-SD 3.98Å; Y233-M294 HydrophobicContact CE1-CE 3.97Å; Y233-M294 HydrophobicContact CE1-SD 4.31Å; Y233-M294 HydrophobicContact CE2-CE 4.32Å; Y233-M294 HydrophobicContact CG-CE 4.04Å; Y233-M294 HydrophobicContact CG-SD 3.44Å; Y233-F375 AromaticContact CD2-CD2 3.95Å; Y233-F375 HydrophobicContact CD2-CD2 3.95Å; Y233-F375 HydrophobicContact CD2-CE2 4.37Å; Y233-F375 AromaticContact CE2-CD2 3.58Å; Y233-F375 HydrophobicContact CE2-CD2 3.58Å; Y233-F375 AromaticContact CE2-CE2 3.96Å; Y233-F375 HydrophobicContact CE2-CE2 3.96Å
234G95.6Very high91Very high9 Ų944.2 Ų44.29%0.09324%0.237CC..EExtended strand (participates in β ladder)trans-146.5150.5174.800000111.9V246G234-V246 PolarHBondContact N-O 3.06Å; G234-V246 PolarHBondContact O-N 3.34Å
235Q94.6Very high91.2Very high115 Ų11544.2 Ų44.254%0.53724%0.237SC..EExtended strand (participates in β ladder)trans-111126.9168.7-74.2176.672.300107.5Y233 V244Y233-Q235 HydrophobicContact CE1-CG 3.75Å; Y233-Q235 WeakPolarHBondContact OH-CG 3.3Å; Q235-V244 WeakPolarHBondContact CA-O 3.4Å
236F93.8Very high91.3Very high31 Ų3144.2 Ų44.214%0.13624%0.237CC..EExtended strand (participates in β ladder)trans-134.1170.6-175.9-55.4-80.6000110.4Q243 V244 V246 W285 L289F236-Q243 WeakPolarHBondContact O-CA 3.33Å; F236-V244 HydrophobicContact CB-CG2 3.9Å; F236-V244 PolarHBondContact N-O 3.33Å; F236-V244 PolarHBondContact O-N 3.45Å; F236-V246 HydrophobicContact CD2-CB 4.08Å; F236-V246 HydrophobicContact CD2-CG2 3.69Å; F236-V246 HydrophobicContact CE2-CB 3.96Å; F236-V246 HydrophobicContact CE2-CG2 4.05Å; F236-W285 HydrophobicContact CB-CG 4.47Å; F236-W285 VanDerWaalsContact CB-NE1 3.28Å; F236-W285 AromaticContact CD1-CD1 3.66Å; F236-W285 HydrophobicContact CD2-CB 4.2Å; F236-W285 AromaticContact CD2-CD1 3.54Å; F236-W285 AromaticContact CD2-CG 3.85Å; F236-W285 HydrophobicContact CD2-CG 3.85Å; F236-W285 HydrophobicContact CE2-CB 4.04Å; F236-W285 HydrophobicContact CE2-CG 4.2Å; F236-W285 AromaticContact CG-CD1 3.29Å; F236-W285 HydrophobicContact CG-CG 4.07Å; F236-W285 AromaticContact CG-NE1 3.61Å; F236-W285 HydrophobicContact CZ-CB 4.44Å; F236-L289 HydrophobicContact CE2-CD2 3.78Å; F236-L289 HydrophobicContact CZ-CD2 4.08Å
237Q90.6Very high91.5Very high118 Ų11842.5 Ų42.555%0.55123%0.229SC*.EExtended strand (participates in β ladder)trans-112.7139167.3-69174.119.100108.2H242 Q243Q237-H242 VanDerWaalsContact CA-O 3.3Å; Q237-H242 WeakPolarHBondContact CA-O 3.33Å; Q237-Q243 VanDerWaalsContact CD-NE2 3.29Å; Q237-Q243 VanDerWaalsContact CG-NE2 3.32Å
238D84.2Confident91.8Very high9 Ų943.1 Ų43.15%0.04823%0.232CC..  trans-71.6178.1165.172.98.2000110.6A240 G241 H242 T273 H276 W285D238-A240 PolarHBondContact O-N 3.3Å; D238-A240 WeakPolarHBondContact OD1-CA 3.39Å; D238-A240 PolarHBondContact OD1-N 3.19Å; D238-G241 PolarHBondContact O-N 2.77Å; D238-G241 PolarHBondContact OD1-N 2.83Å; D238-H242 PolarHBondContact N-O 3.22Å; D238-H242 IonicContact OD1-CG 2.72Å; D238-H242 PolarHBondContact OD1-N 2.75Å; D238-H242 IonicContact OD1-ND1 2.82Å; D238-H242 PolarHBondContact OD1-ND1 3.18Å; D238-H242 WeakPolarHBondContact OD2-CB 3.44Å; D238-H242 IonicContact OD2-CE1 3.51Å; D238-H242 IonicContact OD2-CG 3.66Å; D238-H242 IonicContact OD2-ND1 3.97Å; D238-H242 PolarHBondContact OD2-ND1 3.04Å; D238-T273 HydrophobicContact CB-CG2 4.33Å; D238-H276 HydrophobicContact CB-CB 4.34Å; D238-W285 HydrophobicContact CB-CZ2 4.49Å
239T83.1Confident91.8Very high95 Ų9539.4 Ų39.458%0.58321%0.214SC*.THydrogen-bonded Turntrans-67.7-14.2-178.655.30000113.7H276T239-H276 VanDerWaalsContact OG1-CB 3.29Å; T239-H276 WeakPolarHBondContact OG1-CB 3.46Å; T239-H276 PolarHBondContact OG1-O 3.32Å
240A85.4Confident91.9Very high49 Ų4940.7 Ų40.741%0.40522%0.222SC..THydrogen-bonded Turntrans-96.21.217400000113.3D238 H242 H276D238-A240 PolarHBondContact O-N 3.3Å; D238-A240 WeakPolarHBondContact OD1-CA 3.39Å; D238-A240 PolarHBondContact OD1-N 3.19Å; A240-H242 VanDerWaalsContact CB-CE1 3.44Å; A240-H242 WeakPolarHBondContact CB-CE1 3.36Å; A240-H276 VanDerWaalsContact CB-CD2 3.41Å; A240-H276 WeakPolarHBondContact CB-CD2 3.45Å; A240-H276 WeakPolarHBondContact CB-NE2 3.4Å
241G86.3Confident91.7Very high37 Ų3734.7 Ų34.738%0.38119%0.194SC..  trans86.66.1177.900000114.8D238D238-G241 PolarHBondContact O-N 2.77Å; D238-G241 PolarHBondContact OD1-N 2.83Å
242H88.5Confident91.2Very high41 Ų4137.2 Ų37.219%0.1921%0.206CC..  trans-73.5134.4177.2-48.3118.2000110.6Q237 D238 A240 V244 I268Q237-H242 VanDerWaalsContact CA-O 3.3Å; Q237-H242 WeakPolarHBondContact CA-O 3.33Å; D238-H242 PolarHBondContact N-O 3.22Å; D238-H242 IonicContact OD1-CG 2.72Å; D238-H242 PolarHBondContact OD1-N 2.75Å; D238-H242 IonicContact OD1-ND1 2.82Å; D238-H242 PolarHBondContact OD1-ND1 3.18Å; D238-H242 WeakPolarHBondContact OD2-CB 3.44Å; D238-H242 IonicContact OD2-CE1 3.51Å; D238-H242 IonicContact OD2-CG 3.66Å; D238-H242 IonicContact OD2-ND1 3.97Å; D238-H242 PolarHBondContact OD2-ND1 3.04Å; A240-H242 VanDerWaalsContact CB-CE1 3.44Å; A240-H242 WeakPolarHBondContact CB-CE1 3.36Å; H242-V244 PolarHBondContact O-N 2.64Å; H242-I268 HydrophobicContact CB-CD1 4.23Å
243Q91.8Very high90.2Very high80 Ų8037.6 Ų37.637%0.37422%0.222SC..EExtended strand (participates in β ladder)trans-74.4128179.3-57.8-59.5-3600110.7F236 Q237 R264F236-Q243 WeakPolarHBondContact O-CA 3.33Å; Q237-Q243 VanDerWaalsContact CD-NE2 3.29Å; Q237-Q243 VanDerWaalsContact CG-NE2 3.32Å; Q243-R264 HydrophobicContact CB-CB 3.85Å; Q243-R264 HydrophobicContact CB-CG 4.27Å; Q243-R264 WeakPolarHBondContact O-CB 3.44Å; Q243-R264 PolarHBondContact O-N 2.9Å
244V92.9Very high88.9Confident1 Ų139 Ų391%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-125.2142.4176.5-600000111Q235 F236 H242 V246 V261 T273 W285Q235-V244 WeakPolarHBondContact CA-O 3.4Å; F236-V244 HydrophobicContact CB-CG2 3.9Å; F236-V244 PolarHBondContact N-O 3.33Å; F236-V244 PolarHBondContact O-N 3.45Å; H242-V244 PolarHBondContact O-N 2.64Å; V244-V246 HydrophobicContact CG2-CG2 4.41Å; V244-V261 HydrophobicContact CB-CG1 4.22Å; V244-T273 HydrophobicContact CG1-CG2 3.79Å; V244-W285 HydrophobicContact CG2-CH2 3.97Å; V244-W285 HydrophobicContact CG2-CZ2 3.55Å
245G94.7Very high87.6Confident0 Ų039.7 Ų39.70%024%0.239CC..EExtended strand (participates in β ladder)trans-101.1128.5169.600000109.5V261 V262G245-V261 WeakPolarHBondContact O-CA 3.36Å; G245-V262 PolarHBondContact N-O 3.22Å; G245-V262 PolarHBondContact O-N 3.29Å
246V96.4Very high87.1Confident0 Ų034.4 Ų34.40%022%0.215CC..EExtended strand (participates in β ladder)trans-117.4122.4177.7-175.50000109Y233 G234 F236 V244 F259 L260 V261 W285 L289Y233-V246 CarbonylContact C-O 3.58Å; Y233-V246 WeakPolarHBondContact CA-O 3.46Å; Y233-V246 WeakPolarHBondContact CD2-O 3.48Å; G234-V246 PolarHBondContact N-O 3.06Å; G234-V246 PolarHBondContact O-N 3.34Å; F236-V246 HydrophobicContact CD2-CB 4.08Å; F236-V246 HydrophobicContact CD2-CG2 3.69Å; F236-V246 HydrophobicContact CE2-CB 3.96Å; F236-V246 HydrophobicContact CE2-CG2 4.05Å; V244-V246 HydrophobicContact CG2-CG2 4.41Å; V246-F259 HydrophobicContact CG1-CD1 4.35Å; V246-L260 VanDerWaalsContact CA-O 3.28Å; V246-L260 WeakPolarHBondContact CA-O 3.41Å; V246-V261 HydrophobicContact CG1-CG2 4.42Å; V246-V261 HydrophobicContact CG2-CG1 4.28Å; V246-V261 HydrophobicContact CG2-CG2 4.2Å; V246-W285 HydrophobicContact CG1-CB 4.37Å; V246-W285 HydrophobicContact CG2-CB 4.15Å; V246-W285 HydrophobicContact CG2-CD2 3.88Å; V246-W285 HydrophobicContact CG2-CE3 3.87Å; V246-W285 HydrophobicContact CG2-CG 4.04Å; V246-L289 HydrophobicContact CB-CD2 4.07Å; V246-L289 HydrophobicContact CG1-CD2 4Å
247L96.5Very high86.9Confident0 Ų033.1 Ų33.10%021%0.21CC..EExtended strand (participates in β ladder)trans-119.1137.7179177.971.9000109.5V231 Y233 L249 F259 L260 V296 F375V231-L247 HydrophobicContact CB-CD1 3.6Å; V231-L247 HydrophobicContact CG1-CD1 4.25Å; V231-L247 HydrophobicContact CG2-CD1 3.41Å; V231-L247 VanDerWaalsContact CG2-CD1 3.41Å; Y233-L247 HydrophobicContact CD2-CB 4.32Å; Y233-L247 HydrophobicContact CD2-CD1 4.4Å; L247-L249 HydrophobicContact CD2-CD1 4.34Å; L247-L249 HydrophobicContact CD2-CD2 4.13Å; L247-L249 HydrophobicContact CD2-CG 4.12Å; L247-L249 HydrophobicContact CG-CD2 4.37Å; L247-L249 HydrophobicContact CG-CG 4.31Å; L247-F259 CarbonylContact O-C 3.57Å; L247-F259 VanDerWaalsContact O-CA 3.31Å; L247-F259 WeakPolarHBondContact O-CA 2.99Å; L247-L260 HydrophobicContact CB-CB 4.41Å; L247-L260 HydrophobicContact CD2-CD1 4.17Å; L247-L260 PolarHBondContact N-O 2.93Å; L247-L260 PolarHBondContact O-N 3.32Å; L247-V296 HydrophobicContact CD2-CB 4.5Å; L247-V296 HydrophobicContact CD2-CG1 3.65Å; L247-V296 HydrophobicContact CD2-CG2 4Å; L247-F375 HydrophobicContact CB-CD1 4.17Å; L247-F375 HydrophobicContact CB-CD2 3.85Å; L247-F375 HydrophobicContact CB-CE1 3.91Å; L247-F375 HydrophobicContact CB-CE2 3.56Å; L247-F375 HydrophobicContact CB-CG 4.12Å; L247-F375 HydrophobicContact CB-CZ 3.58Å; L247-F375 HydrophobicContact CD2-CB 4.23Å; L247-F375 HydrophobicContact CD2-CD1 3.39Å; L247-F375 HydrophobicContact CD2-CD2 4.33Å; L247-F375 HydrophobicContact CD2-CE1 3.71Å; L247-F375 HydrophobicContact CD2-CG 3.73Å; L247-F375 HydrophobicContact CD2-CZ 4.29Å; L247-F375 HydrophobicContact CG-CD1 4.36Å; L247-F375 HydrophobicContact CG-CE1 4.44Å; L247-F375 HydrophobicContact CG-CG 4.4Å
248E95.4Very high86.9Confident26 Ų2627.5 Ų27.512%0.12118%0.184CC..EExtended strand (participates in β ladder)trans-111.9128.5171.3177.7-162.9-171.300110.4N232 S257 L258 F259 L289N232-E248 HydrophobicContact CB-CB 3.99Å; N232-E248 VanDerWaalsContact CB-OE2 3.31Å; N232-E248 WeakPolarHBondContact CB-OE2 3.37Å; N232-E248 PolarHBondContact ND2-OE2 3.11Å; N232-E248 PolarHBondContact O-N 2.65Å; E248-S257 VanDerWaalsContact OE1-CB 3.32Å; E248-S257 WeakPolarHBondContact OE1-CB 3.49Å; E248-S257 PolarHBondContact OE1-OG 3.12Å; E248-L258 WeakPolarHBondContact CA-O 3.4Å; E248-F259 HydrophobicContact CB-CD1 3.96Å; E248-F259 HydrophobicContact CB-CE1 3.68Å; E248-F259 HydrophobicContact CB-CZ 4.08Å; E248-F259 HydrophobicContact CG-CD1 4.32Å; E248-F259 HydrophobicContact CG-CE1 3.79Å; E248-F259 HydrophobicContact CG-CE2 4.04Å; E248-F259 HydrophobicContact CG-CZ 3.63Å; E248-L289 HydrophobicContact CB-CD1 3.52Å
249L92.1Very high87.4Confident6 Ų627.4 Ų27.43%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-118.6105.9174.1-64178000109.5W198 F202 V231 L247 L258 L260 V296 L298W198-L249 HydrophobicContact CE3-CB 4.12Å; W198-L249 HydrophobicContact CH2-CB 4.49Å; W198-L249 HydrophobicContact CH2-CD1 4.34Å; W198-L249 HydrophobicContact CZ3-CB 3.65Å; W198-L249 HydrophobicContact CZ3-CD1 4.23Å; F202-L249 HydrophobicContact CE2-CD1 4.45Å; F202-L249 HydrophobicContact CZ-CD1 4.15Å; V231-L249 HydrophobicContact CG1-CD2 3.76Å; L247-L249 HydrophobicContact CD2-CD1 4.34Å; L247-L249 HydrophobicContact CD2-CD2 4.13Å; L247-L249 HydrophobicContact CD2-CG 4.12Å; L247-L249 HydrophobicContact CG-CD2 4.37Å; L247-L249 HydrophobicContact CG-CG 4.31Å; L249-L258 HydrophobicContact CB-CB 4.49Å; L249-L258 PolarHBondContact N-O 3.33Å; L249-L258 PolarHBondContact O-N 2.9Å; L249-L260 HydrophobicContact CD1-CD1 4.07Å; L249-V296 HydrophobicContact CD1-CG1 4.35Å; L249-L298 HydrophobicContact CD1-CD2 4.13Å
250P90.5Very high87.9Confident34 Ų3422.9 Ų22.922%0.22116%0.155CC..EExtended strand (participates in β ladder)trans-76.4143.1-17928.6-33.2000112.3R199R199-P250 HydrophobicContact CB-CB 4.38Å; R199-P250 HydrophobicContact CB-CG 4.13Å; R199-P250 WeakPolarHBondContact CB-O 3.39Å; R199-P250 PolarHBondContact N-O 3.46Å
251Y87.2Confident88.3Confident1 Ų120.6 Ų20.60%0.00414%0.136CC..BIsolated β-bridgetrans-82.6162.9167.7-69.9-85.6000111.6F194 G196 T197 W198 S254 V256 L258 L385F194-Y251 HydrophobicContact CE1-CD2 4.38Å; F194-Y251 AromaticContact CE1-CE1 4Å; F194-Y251 HydrophobicContact CE1-CE1 4Å; F194-Y251 AromaticContact CE1-CE2 3.72Å; F194-Y251 HydrophobicContact CE1-CE2 3.72Å; F194-Y251 AromaticContact CE1-CZ 3.51Å; F194-Y251 HydrophobicContact CZ-CD1 4.25Å; F194-Y251 AromaticContact CZ-CD2 3.77Å; F194-Y251 HydrophobicContact CZ-CD2 3.77Å; F194-Y251 HydrophobicContact CZ-CE1 4.09Å; F194-Y251 AromaticContact CZ-CE2 3.57Å; F194-Y251 HydrophobicContact CZ-CE2 3.57Å; F194-Y251 HydrophobicContact CZ-CG 4.11Å; F194-Y251 AromaticContact CZ-CZ 3.75Å; G196-Y251 VanDerWaalsContact C-CD1 3.43Å; G196-Y251 VanDerWaalsContact CA-CD1 3.46Å; G196-Y251 WeakPolarHBondContact O-CE1 2.91Å; T197-Y251 WeakPolarHBondContact O-CA 3.5Å; T197-Y251 WeakPolarHBondContact O-CD1 3.36Å; W198-Y251 HydrophobicContact CD2-CD1 4.39Å; W198-Y251 AromaticContact CD2-CE1 3.94Å; W198-Y251 HydrophobicContact CD2-CE1 3.94Å; W198-Y251 HydrophobicContact CE3-CD1 4.05Å; W198-Y251 AromaticContact CE3-CE1 3.68Å; W198-Y251 HydrophobicContact CE3-CE1 3.68Å; W198-Y251 HydrophobicContact CE3-CE2 4.36Å; W198-Y251 AromaticContact CE3-CZ 3.86Å; W198-Y251 HydrophobicContact CH2-CE1 4.11Å; W198-Y251 HydrophobicContact CH2-CE2 4.43Å; W198-Y251 AromaticContact CH2-CZ 3.69Å; W198-Y251 VanDerWaalsContact CH2-OH 3.23Å; W198-Y251 WeakPolarHBondContact CH2-OH 2.93Å; W198-Y251 HydrophobicContact CZ2-CE1 4.34Å; W198-Y251 HydrophobicContact CZ3-CD1 4.44Å; W198-Y251 AromaticContact CZ3-CE1 3.76Å; W198-Y251 HydrophobicContact CZ3-CE1 3.76Å; W198-Y251 AromaticContact CZ3-CE2 3.86Å; W198-Y251 HydrophobicContact CZ3-CE2 3.86Å; W198-Y251 AromaticContact CZ3-CZ 3.43Å; W198-Y251 VanDerWaalsContact CZ3-CZ 3.43Å; W198-Y251 WeakPolarHBondContact CZ3-OH 2.68Å; Y251-S254 PolarHBondContact O-N 2.98Å; Y251-S254 VanDerWaalsContact O-N 3.1Å; Y251-V256 WeakPolarHBondContact CB-O 3.24Å; Y251-V256 HydrophobicContact CD2-CB 4.37Å; Y251-V256 HydrophobicContact CD2-CG1 4.37Å; Y251-V256 WeakPolarHBondContact CD2-O 3.39Å; Y251-V256 PolarHBondContact N-O 2.87Å; Y251-L258 HydrophobicContact CE2-CB 3.91Å; Y251-L385 HydrophobicContact CD2-CD2 4.44Å; Y251-L385 HydrophobicContact CE2-CD2 3.62Å
252L83.3Confident88.6Confident61 Ų6119 Ų1932%0.31912%0.119SC..G310 helixtrans-59.4148.6176.4-17065.7000110Q105 T197 S254Q105-L252 WeakPolarHBondContact O-CD2 3.42Å; Q105-L252 VanDerWaalsContact O-CG 3.28Å; Q105-L252 WeakPolarHBondContact O-CG 3.48Å; T197-L252 HydrophobicContact CG2-CB 4.38Å; T197-L252 HydrophobicContact CG2-CD2 4.26Å; T197-L252 WeakPolarHBondContact O-CB 3.42Å; T197-L252 PolarHBondContact O-N 3.01Å; L252-S254 PolarHBondContact O-N 2.94Å; L252-S254 VanDerWaalsContact O-N 3.12Å
253G74.5Confident88.8Confident56 Ų5617.2 Ų17.258%0.57711%0.111SC*.G310 helixtrans74.3-9.6-171.300000114.3A255G253-A255 PolarHBondContact O-N 3.03Å
254S68.8Low88.6Confident50 Ų5018.4 Ų18.435%0.3511%0.112SC..G310 helixtrans54.127.3-174.9-47.60000113.2Y251 L252 P388Y251-S254 PolarHBondContact O-N 2.98Å; Y251-S254 VanDerWaalsContact O-N 3.1Å; L252-S254 PolarHBondContact O-N 2.94Å; L252-S254 VanDerWaalsContact O-N 3.12Å; S254-P388 WeakPolarHBondContact O-CG 3.31Å
255A69.7Low88.3Confident23 Ų2322 Ų2219%0.1913%0.131CC..SBendtrans-74.9-31.4177.400000111.7G253 E387 P388G253-A255 PolarHBondContact O-N 3.03Å; A255-E387 WeakPolarHBondContact O-CG 3.44Å; A255-P388 WeakPolarHBondContact O-CD 3.32Å
256V83.7Confident87.6Confident5 Ų529.5 Ų29.53%0.0316%0.164CC..  trans-144.4148.9179-179.80000109.2M109 F194 Y251 L385 R386M109-V256 HydrophobicContact SD-CG2 4.19Å; F194-V256 HydrophobicContact CE2-CB 4.22Å; F194-V256 HydrophobicContact CE2-CG1 4.15Å; F194-V256 HydrophobicContact CE2-CG2 4.23Å; F194-V256 HydrophobicContact CZ-CB 4.47Å; F194-V256 HydrophobicContact CZ-CG1 4.25Å; Y251-V256 WeakPolarHBondContact CB-O 3.24Å; Y251-V256 HydrophobicContact CD2-CB 4.37Å; Y251-V256 HydrophobicContact CD2-CG1 4.37Å; Y251-V256 WeakPolarHBondContact CD2-O 3.39Å; Y251-V256 PolarHBondContact N-O 2.87Å; V256-L385 HydrophobicContact CG1-CB 3.83Å; V256-L385 HydrophobicContact CG1-CD2 3.72Å; V256-L385 HydrophobicContact CG1-CG 4.3Å; V256-R386 WeakPolarHBondContact CA-O 3.5Å
257S89.1Confident86.9Confident4 Ų436.5 Ų36.53%0.02820%0.201CC..EExtended strand (participates in β ladder)trans-121.4139.4168.2-71.40000110.9E248 L385 R386E248-S257 VanDerWaalsContact OE1-CB 3.32Å; E248-S257 WeakPolarHBondContact OE1-CB 3.49Å; E248-S257 PolarHBondContact OE1-OG 3.12Å; S257-L385 WeakPolarHBondContact O-CA 3.4Å; S257-R386 PolarHBondContact N-O 2.98Å; S257-R386 PolarHBondContact O-N 3.31Å
258L91.6Very high86.3Confident0 Ų038.1 Ų38.10%021%0.209CC..EExtended strand (participates in β ladder)trans-84.9123.8166.5-175.670.7000109.5W198 E248 L249 Y251 L260 L298 Y383 L385W198-L258 HydrophobicContact CH2-CB 4.27Å; W198-L258 HydrophobicContact CH2-CD2 3.64Å; W198-L258 HydrophobicContact CZ3-CB 4.06Å; W198-L258 HydrophobicContact CZ3-CD2 4.25Å; E248-L258 WeakPolarHBondContact CA-O 3.4Å; L249-L258 HydrophobicContact CB-CB 4.49Å; L249-L258 PolarHBondContact N-O 3.33Å; L249-L258 PolarHBondContact O-N 2.9Å; Y251-L258 HydrophobicContact CE2-CB 3.91Å; L258-L260 HydrophobicContact CD2-CD2 4Å; L258-L260 HydrophobicContact CD2-CG 4.25Å; L258-L260 HydrophobicContact CG-CD2 4.31Å; L258-L260 HydrophobicContact CG-CG 4.38Å; L258-L298 HydrophobicContact CD2-CD2 4.28Å; L258-Y383 HydrophobicContact CD1-CD2 3.83Å; L258-Y383 HydrophobicContact CD1-CG 4.32Å; L258-L385 HydrophobicContact CB-CD2 4Å; L258-L385 HydrophobicContact CD1-CD2 3.71Å; L258-L385 HydrophobicContact CD1-CG 4.14Å; L258-L385 HydrophobicContact CG-CD2 4.5Å
259F93.9Very high85.7Confident7 Ų739.3 Ų39.33%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-101.4138.1169.3-70.2-98.8000109.6V246 L247 E248 T286 L289 Y383 F384 R386V246-F259 HydrophobicContact CG1-CD1 4.35Å; L247-F259 CarbonylContact O-C 3.57Å; L247-F259 VanDerWaalsContact O-CA 3.31Å; L247-F259 WeakPolarHBondContact O-CA 2.99Å; E248-F259 HydrophobicContact CB-CD1 3.96Å; E248-F259 HydrophobicContact CB-CE1 3.68Å; E248-F259 HydrophobicContact CB-CZ 4.08Å; E248-F259 HydrophobicContact CG-CD1 4.32Å; E248-F259 HydrophobicContact CG-CE1 3.79Å; E248-F259 HydrophobicContact CG-CE2 4.04Å; E248-F259 HydrophobicContact CG-CZ 3.63Å; F259-T286 HydrophobicContact CD1-CG2 3.77Å; F259-T286 HydrophobicContact CE1-CG2 3.55Å; F259-T286 HydrophobicContact CG-CG2 4.35Å; F259-T286 HydrophobicContact CZ-CG2 3.96Å; F259-L289 HydrophobicContact CD1-CD1 4.18Å; F259-L289 HydrophobicContact CE1-CD1 3.67Å; F259-Y383 WeakPolarHBondContact O-CA 3.28Å; F259-F384 HydrophobicContact CB-CD1 3.91Å; F259-F384 HydrophobicContact CB-CD2 3.78Å; F259-F384 HydrophobicContact CB-CE1 3.53Å; F259-F384 HydrophobicContact CB-CE2 3.39Å; F259-F384 HydrophobicContact CB-CG 4.02Å; F259-F384 HydrophobicContact CB-CZ 3.26Å; F259-F384 HydrophobicContact CD1-CE2 4.11Å; F259-F384 AromaticContact CD1-CZ 3.98Å; F259-F384 HydrophobicContact CD1-CZ 3.98Å; F259-F384 AromaticContact CD2-CD2 4Å; F259-F384 HydrophobicContact CD2-CD2 4Å; F259-F384 AromaticContact CD2-CE2 3.56Å; F259-F384 HydrophobicContact CD2-CE2 3.56Å; F259-F384 HydrophobicContact CD2-CZ 4.2Å; F259-F384 HydrophobicContact CE2-CE2 4.39Å; F259-F384 HydrophobicContact CG-CD2 4.08Å; F259-F384 HydrophobicContact CG-CE1 4.33Å; F259-F384 AromaticContact CG-CE2 3.4Å; F259-F384 HydrophobicContact CG-CE2 3.4Å; F259-F384 VanDerWaalsContact CG-CE2 3.4Å; F259-F384 AromaticContact CG-CZ 3.55Å; F259-F384 HydrophobicContact CG-CZ 3.55Å; F259-F384 PolarHBondContact N-O 3.41Å; F259-F384 PolarHBondContact O-N 2.94Å; F259-R386 HydrophobicContact CD2-CB 3.99Å; F259-R386 HydrophobicContact CE2-CB 3.74Å
260L94.3Very high85.4Confident0 Ų039.4 Ų39.40%022%0.22CC..EExtended strand (participates in β ladder)trans-122.2125.9177.7-62.9166.1000108.5V246 L247 L249 L258 L298 F375 F381V246-L260 VanDerWaalsContact CA-O 3.28Å; V246-L260 WeakPolarHBondContact CA-O 3.41Å; L247-L260 HydrophobicContact CB-CB 4.41Å; L247-L260 HydrophobicContact CD2-CD1 4.17Å; L247-L260 PolarHBondContact N-O 2.93Å; L247-L260 PolarHBondContact O-N 3.32Å; L249-L260 HydrophobicContact CD1-CD1 4.07Å; L258-L260 HydrophobicContact CD2-CD2 4Å; L258-L260 HydrophobicContact CD2-CG 4.25Å; L258-L260 HydrophobicContact CG-CD2 4.31Å; L258-L260 HydrophobicContact CG-CG 4.38Å; L260-L298 HydrophobicContact CD1-CD1 3.74Å; L260-L298 HydrophobicContact CD2-CD1 3.89Å; L260-L298 HydrophobicContact CG-CD1 4.49Å; L260-F375 HydrophobicContact CB-CE1 3.99Å; L260-F375 HydrophobicContact CB-CZ 3.82Å; L260-F375 HydrophobicContact CD1-CE1 3.98Å; L260-F381 HydrophobicContact CD2-CD2 3.76Å; L260-F381 HydrophobicContact CD2-CE2 3.5Å; L260-F381 VanDerWaalsContact CD2-CE2 3.5Å; L260-F381 HydrophobicContact CD2-CZ 4.46Å
261V93.7Very high85.1Confident0 Ų040.8 Ų40.80%023%0.231CC..EExtended strand (participates in β ladder)trans-116.5116.4176.9-1740000108.6V244 G245 V246 W285 F381 I382 F384V244-V261 HydrophobicContact CB-CG1 4.22Å; G245-V261 WeakPolarHBondContact O-CA 3.36Å; V246-V261 HydrophobicContact CG1-CG2 4.42Å; V246-V261 HydrophobicContact CG2-CG1 4.28Å; V246-V261 HydrophobicContact CG2-CG2 4.2Å; V261-W285 HydrophobicContact CB-CZ3 4.45Å; V261-W285 HydrophobicContact CG1-CE3 4.32Å; V261-W285 HydrophobicContact CG1-CH2 4.08Å; V261-W285 HydrophobicContact CG1-CZ3 3.64Å; V261-W285 HydrophobicContact CG2-CE3 4.13Å; V261-W285 HydrophobicContact CG2-CZ3 3.99Å; V261-F381 WeakPolarHBondContact O-CA 3.46Å; V261-F381 WeakPolarHBondContact O-CB 3.01Å; V261-I382 HydrophobicContact CB-CB 4.16Å; V261-I382 PolarHBondContact N-O 3.18Å; V261-I382 PolarHBondContact O-N 2.88Å; V261-F384 HydrophobicContact CG2-CE1 3.85Å
262V92.8Very high85Confident4 Ų445.5 Ų45.52%0.02425%0.252CS..EExtended strand (participates in β ladder)trans-124.6121.8-176.1-176.30000109.1G245 R264 F375 R379 F381G245-V262 PolarHBondContact N-O 3.22Å; G245-V262 PolarHBondContact O-N 3.29Å; V262-R264 PolarHBondContact O-N 2.84Å; V262-F375 HydrophobicContact CB-CZ 4.23Å; V262-F375 HydrophobicContact CG2-CE1 4Å; V262-F375 HydrophobicContact CG2-CE2 4.25Å; V262-F375 HydrophobicContact CG2-CZ 3.49Å; V262-F375 VanDerWaalsContact CG2-CZ 3.49Å; V262-R379 HydrophobicContact CG1-CG 4.21Å; V262-F381 HydrophobicContact CG2-CB 3.74Å
263P91.4Very high85.1Confident4 Ų442.6 Ų42.63%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-55.2128.3169.4-2433.7000110.1L270 R379P263-L270 HydrophobicContact CG-CD1 3.81Å; P263-R379 PolarHBondContact O-NE 2.94Å; P263-R379 PolarHBondContact O-NH2 3.06Å
264R88.9Confident85.6Confident105 Ų10540.7 Ų40.740%0.39621%0.213SC..SBendtrans-78-40-173.2-73.9-80-70.4-167.5-5.1112.3Y233 Q243 V262 R379Y233-R264 PolarHBondContact OH-NH1 2.71Å; Q243-R264 HydrophobicContact CB-CB 3.85Å; Q243-R264 HydrophobicContact CB-CG 4.27Å; Q243-R264 WeakPolarHBondContact O-CB 3.44Å; Q243-R264 PolarHBondContact O-N 2.9Å; V262-R264 PolarHBondContact O-N 2.84Å; R264-R379 PolarHBondContact O-NH2 2.95Å; R264-R379 VanDerWaalsContact O-NH2 3.15Å
265D85.6Confident86.4Confident75 Ų7542.3 Ų42.340%0.40122%0.223SC..SBendtrans-68.1134.5170.5-161.2-26.6000109D267 I268D265-D267 VanDerWaalsContact C-N 3.33Å; D265-D267 PolarHBondContact OD1-N 2.93Å; D265-I268 HydrophobicContact CB-CB 4.14Å; D265-I268 HydrophobicContact CB-CD1 3.53Å; D265-I268 HydrophobicContact CB-CG1 3.68Å
266K80.5Confident87.2Confident158 Ų15844.4 Ų44.469%0.68723%0.228SC*.SBendtrans-79.2-23.8-179.2-68.8-175.7175.9-174.70112I268K266-I268 VanDerWaalsContact C-N 3.32Å
267D81.7Confident87.4Confident148 Ų14844.5 Ų44.579%0.79123%0.229SC*.SBendtrans-87.1-9.8-176.6-59.5-33.9000111.7D265 P269D265-D267 VanDerWaalsContact C-N 3.33Å; D265-D267 PolarHBondContact OD1-N 2.93Å; D267-P269 WeakPolarHBondContact O-CD 3.18Å
268I82.6Confident87.4Confident33 Ų3346.8 Ų46.817%0.16924%0.243CC..SBendtrans-92.9112.6177.7-59.2178000109.2H242 D265 K266 H272H242-I268 HydrophobicContact CB-CD1 4.23Å; D265-I268 HydrophobicContact CB-CB 4.14Å; D265-I268 HydrophobicContact CB-CD1 3.53Å; D265-I268 HydrophobicContact CB-CG1 3.68Å; K266-I268 VanDerWaalsContact C-N 3.32Å; I268-H272 HydrophobicContact CG2-CB 3.96Å
269P84.8Confident87.4Confident51 Ų5147.1 Ų47.133%0.33125%0.245SC..  trans-70.2152.3175.731.1-35.1000110.6D267 S271 H272D267-P269 WeakPolarHBondContact O-CD 3.18Å; P269-S271 PolarHBondContact O-N 3.5Å; P269-S271 VanDerWaalsContact O-N 3.14Å; P269-H272 WeakPolarHBondContact O-CB 3.18Å; P269-H272 PolarHBondContact O-N 3.44Å
270L85.3Confident87.2Confident8 Ų850.6 Ų50.64%0.04227%0.271CS..Hα-helixtrans-56-32.6178.1-173.568.1000112.7P263 H272 T273 E274 P380 I382 R398P263-L270 HydrophobicContact CG-CD1 3.81Å; L270-H272 PolarHBondContact O-N 3.3Å; L270-H272 VanDerWaalsContact O-N 3.1Å; L270-T273 PolarHBondContact O-N 2.87Å; L270-E274 WeakPolarHBondContact CD2-OE1 3.35Å; L270-E274 HydrophobicContact CG-CG 4Å; L270-E274 WeakPolarHBondContact O-CG 3.43Å; L270-E274 PolarHBondContact O-N 3.46Å; L270-P380 HydrophobicContact CB-CB 3.96Å; L270-P380 HydrophobicContact CD2-CB 3.96Å; L270-I382 HydrophobicContact CD1-CD1 3.77Å; L270-I382 HydrophobicContact CD1-CG1 3.96Å; L270-I382 HydrophobicContact CD2-CG1 4.16Å; L270-I382 HydrophobicContact CG-CD1 4.4Å; L270-I382 HydrophobicContact CG-CG1 4.36Å; L270-R398 HydrophobicContact CD2-CB 4.13Å
271S84.5Confident87Confident64 Ų6451.4 Ų51.445%0.44828%0.276SS..Hα-helixtrans-60.3-17.6177.156.70000114.4P269 P275P269-S271 PolarHBondContact O-N 3.5Å; P269-S271 VanDerWaalsContact O-N 3.14Å; S271-P275 WeakPolarHBondContact O-CD 3.33Å; S271-P275 WeakPolarHBondContact O-CG 3.41Å
272H84.7Confident86.8Confident99 Ų9951.5 Ų51.546%0.45828%0.276SS..Hα-helixtrans-84-24.2173-74.4-154.6000112.2I268 P269 L270 H276I268-H272 HydrophobicContact CG2-CB 3.96Å; P269-H272 WeakPolarHBondContact O-CB 3.18Å; P269-H272 PolarHBondContact O-N 3.44Å; L270-H272 PolarHBondContact O-N 3.3Å; L270-H272 VanDerWaalsContact O-N 3.1Å; H272-H276 PolarHBondContact O-CD2 3.46Å
273T84.4Confident86.7Confident0 Ų053.9 Ų53.90%029%0.287CS..Hα-helixtrans-90.5-34.6178.7-56.20000111.9D238 V244 L270 P275 H276D238-T273 HydrophobicContact CB-CG2 4.33Å; V244-T273 HydrophobicContact CG1-CG2 3.79Å; L270-T273 PolarHBondContact O-N 2.87Å; T273-P275 VanDerWaalsContact C-CD 3.49Å; T273-H276 PolarHBondContact O-N 3.48Å; T273-H276 VanDerWaalsContact O-N 3.12Å
274E85.1Confident86.6Confident17 Ų1758.1 Ų58.18%0.07931%0.309CS..G310 helixtrans-54.2-44-177-72.9169.4163.400115.1Y38 L270 H276 L277 I382 R398Y38-E274 HydrophobicContact CE1-CG 4.27Å; Y38-E274 VanDerWaalsContact OH-CD 3.25Å; Y38-E274 WeakPolarHBondContact OH-CG 3.23Å; Y38-E274 PolarHBondContact OH-OE1 3.45Å; L270-E274 WeakPolarHBondContact CD2-OE1 3.35Å; L270-E274 HydrophobicContact CG-CG 4Å; L270-E274 WeakPolarHBondContact O-CG 3.43Å; L270-E274 PolarHBondContact O-N 3.46Å; E274-H276 PolarHBondContact O-N 2.84Å; E274-L277 WeakPolarHBondContact O-CG 3.41Å; E274-L277 PolarHBondContact O-N 2.96Å; E274-I382 HydrophobicContact CG-CD1 4.09Å; E274-R398 WeakPolarHBondContact OE1-CD 3.12Å; E274-R398 IonicContact OE1-CZ 3.61Å; E274-R398 IonicContact OE1-NE 3.25Å; E274-R398 IonicContact OE1-NH1 2.72Å; E274-R398 PolarHBondContact OE1-NH1 2.94Å; E274-R398 IonicContact OE2-NH1 3.91Å; E274-R398 PolarHBondContact OE2-NH1 3.23Å
275P86.4Confident86.8Confident84 Ų8453.1 Ų53.155%0.54529%0.29SS..G310 helixtrans-68.5-17.1-178.7-2034.2000113.5S271 T273S271-P275 WeakPolarHBondContact O-CD 3.33Å; S271-P275 WeakPolarHBondContact O-CG 3.41Å; T273-P275 VanDerWaalsContact C-CD 3.49Å
276H85.6Confident87Confident66 Ų6650.3 Ų50.331%0.30628%0.275SS..G310 helixtrans-97.70.3-174.4-66.1-47.3000113.4D238 T239 A240 H272 T273 E274D238-H276 HydrophobicContact CB-CB 4.34Å; T239-H276 VanDerWaalsContact OG1-CB 3.29Å; T239-H276 WeakPolarHBondContact OG1-CB 3.46Å; T239-H276 PolarHBondContact OG1-O 3.32Å; A240-H276 VanDerWaalsContact CB-CD2 3.41Å; A240-H276 WeakPolarHBondContact CB-CD2 3.45Å; A240-H276 WeakPolarHBondContact CB-NE2 3.4Å; H272-H276 PolarHBondContact O-CD2 3.46Å; T273-H276 PolarHBondContact O-N 3.48Å; T273-H276 VanDerWaalsContact O-N 3.12Å; E274-H276 PolarHBondContact O-N 2.84Å
277L88Confident87.4Confident7 Ų746.8 Ų46.84%0.03727%0.267CS..  trans-72127.4175.5-59.7172.3000110.3L35 E274 I282 W285 I382 F396L35-L277 HydrophobicContact CD2-CB 3.81Å; L35-L277 HydrophobicContact CD2-CD1 4.34Å; E274-L277 WeakPolarHBondContact O-CG 3.41Å; E274-L277 PolarHBondContact O-N 2.96Å; L277-I282 HydrophobicContact CD2-CD1 4.34Å; L277-W285 HydrophobicContact CD2-CH2 3.54Å; L277-W285 HydrophobicContact CD2-CZ3 3.63Å; L277-I382 HydrophobicContact CD1-CD1 3.57Å; L277-I382 HydrophobicContact CD2-CD1 4.48Å; L277-F396 HydrophobicContact CD1-CE1 4.23Å; L277-F396 HydrophobicContact CD1-CZ 4.11Å
278T90.4Very high88Confident53 Ų5342 Ų4233%0.32525%0.246SC..  trans-129.2157.117466.50000109.9S280 T281 I282T278-S280 PolarHBondContact O-N 2.69Å; T278-T281 WeakPolarHBondContact O-CB 3.45Å; T278-T281 PolarHBondContact O-N 2.86Å; T278-T281 WeakPolarHBondContact OG1-CB 3.34Å; T278-T281 PolarHBondContact OG1-N 2.75Å; T278-T281 PolarHBondContact OG1-OG1 2.76Å; T278-I282 PolarHBondContact O-N 2.92Å
279A89.9Confident88.6Confident6 Ų641.7 Ų41.75%0.0524%0.244CC..Hα-helixtrans-55.4-39.4177.300000112L28 T31 E32 L35 T281 I282 H283L28-A279 HydrophobicContact CD2-CB 4.01Å; T31-A279 HydrophobicContact CG2-CB 3.92Å; E32-A279 HydrophobicContact CB-CB 4.32Å; E32-A279 WeakPolarHBondContact OE2-CB 3.46Å; L35-A279 HydrophobicContact CD1-CB 4.5Å; L35-A279 VanDerWaalsContact CD1-N 3.27Å; A279-T281 PolarHBondContact O-N 3.04Å; A279-I282 PolarHBondContact O-N 3.47Å; A279-H283 WeakPolarHBondContact O-CB 3.38Å; A279-H283 PolarHBondContact O-N 2.9Å
280S89.9Confident89Confident81 Ų8148.7 Ų48.757%0.56626%0.264SS*.Hα-helixtrans-63.7-38.2175.4-49.10000112.7T278 H283 L284T278-S280 PolarHBondContact O-N 2.69Å; S280-H283 PolarHBondContact O-N 3.12Å; S280-L284 WeakPolarHBondContact O-CB 3.17Å; S280-L284 PolarHBondContact O-N 2.88Å
281T90.5Very high89.5Confident17 Ų1758.5 Ų58.510%0.10430%0.3CS..Hα-helixtrans-65.8-46.7177.2-60.20000110.9T278 A279 H283 L284 W285T278-T281 WeakPolarHBondContact O-CB 3.45Å; T278-T281 PolarHBondContact O-N 2.86Å; T278-T281 WeakPolarHBondContact OG1-CB 3.34Å; T278-T281 PolarHBondContact OG1-N 2.75Å; T278-T281 PolarHBondContact OG1-OG1 2.76Å; A279-T281 PolarHBondContact O-N 3.04Å; T281-H283 VanDerWaalsContact C-N 3.34Å; T281-H283 PolarHBondContact O-N 3.35Å; T281-L284 PolarHBondContact O-N 3.45Å; T281-W285 HydrophobicContact CG2-CD2 3.84Å; T281-W285 HydrophobicContact CG2-CE3 4.29Å; T281-W285 HydrophobicContact CG2-CG 4.48Å; T281-W285 HydrophobicContact CG2-CH2 3.75Å; T281-W285 HydrophobicContact CG2-CZ2 3.2Å; T281-W285 HydrophobicContact CG2-CZ3 4.24Å; T281-W285 PolarHBondContact O-N 2.85Å
282I90.8Very high89.8Confident2 Ų257 Ų571%0.0129%0.292CS..Hα-helixtrans-61.5-43.6175.8-61.6-59.2000110.8T31 L35 L277 T278 A279 W285 T286 F384 F396T31-I282 HydrophobicContact CG2-CB 4.08Å; T31-I282 HydrophobicContact CG2-CG1 4.38Å; T31-I282 HydrophobicContact CG2-CG2 4.1Å; L35-I282 HydrophobicContact CD1-CG1 4.42Å; L277-I282 HydrophobicContact CD2-CD1 4.34Å; T278-I282 PolarHBondContact O-N 2.92Å; A279-I282 PolarHBondContact O-N 3.47Å; I282-W285 HydrophobicContact CD1-CE3 3.95Å; I282-W285 HydrophobicContact CD1-CZ3 3.97Å; I282-W285 PolarHBondContact O-N 2.95Å; I282-T286 HydrophobicContact CG2-CG2 4.28Å; I282-T286 WeakPolarHBondContact O-CB 3.44Å; I282-T286 WeakPolarHBondContact O-CG2 3.33Å; I282-T286 PolarHBondContact O-N 3.14Å; I282-T286 PolarHBondContact O-OG1 3.33Å; I282-F384 HydrophobicContact CD1-CE1 4.24Å; I282-F384 HydrophobicContact CG2-CE2 4.12Å; I282-F384 HydrophobicContact CG2-CZ 3.95Å; I282-F396 HydrophobicContact CD1-CE2 3.91Å; I282-F396 HydrophobicContact CD1-CZ 4.05Å; I282-F396 HydrophobicContact CG1-CE2 4.19Å
283H89.1Confident90.2Very high53 Ų5359 Ų5925%0.24530%0.295CS..Hα-helixtrans-60-47.6175.7-176.490.6000111.9L28 A279 S280 T281 W285 T286 T287L28-H283 HydrophobicContact CD2-CB 4.19Å; A279-H283 WeakPolarHBondContact O-CB 3.38Å; A279-H283 PolarHBondContact O-N 2.9Å; S280-H283 PolarHBondContact O-N 3.12Å; T281-H283 VanDerWaalsContact C-N 3.34Å; T281-H283 PolarHBondContact O-N 3.35Å; H283-W285 PolarHBondContact O-N 2.84Å; H283-T286 PolarHBondContact O-N 2.91Å; H283-T286 PolarHBondContact O-OG1 3.48Å; H283-T287 WeakPolarHBondContact O-CB 3.38Å; H283-T287 WeakPolarHBondContact O-CG2 3.21Å; H283-T287 PolarHBondContact O-N 2.82Å; H283-T287 VanDerWaalsContact O-N 3.08Å; H283-T287 PolarHBondContact O-OG1 3.37Å
284L90.7Very high90.6Very high93 Ų9359.1 Ų59.149%0.48730%0.296SS..Hα-helixtrans-58.9-49.4177.1177.769.2000111.7S280 T281 T286 T287 S288S280-L284 WeakPolarHBondContact O-CB 3.17Å; S280-L284 PolarHBondContact O-N 2.88Å; T281-L284 PolarHBondContact O-N 3.45Å; L284-T286 PolarHBondContact O-N 3.15Å; L284-T287 PolarHBondContact O-N 2.95Å; L284-T287 PolarHBondContact O-OG1 3.46Å; L284-S288 WeakPolarHBondContact O-CB 3.4Å; L284-S288 PolarHBondContact O-N 2.82Å; L284-S288 PolarHBondContact O-OG 2.9Å
285W91.9Very high91.1Very high1 Ų159.7 Ų59.70%0.00430%0.3CS..Hα-helixtrans-60.8-46.4-177.6-68.2-8.7000111.7F236 D238 V244 V246 V261 L277 T281 I282 H283 T287 S288 L289F236-W285 HydrophobicContact CB-CG 4.47Å; F236-W285 VanDerWaalsContact CB-NE1 3.28Å; F236-W285 AromaticContact CD1-CD1 3.66Å; F236-W285 HydrophobicContact CD2-CB 4.2Å; F236-W285 AromaticContact CD2-CD1 3.54Å; F236-W285 AromaticContact CD2-CG 3.85Å; F236-W285 HydrophobicContact CD2-CG 3.85Å; F236-W285 HydrophobicContact CE2-CB 4.04Å; F236-W285 HydrophobicContact CE2-CG 4.2Å; F236-W285 AromaticContact CG-CD1 3.29Å; F236-W285 HydrophobicContact CG-CG 4.07Å; F236-W285 AromaticContact CG-NE1 3.61Å; F236-W285 HydrophobicContact CZ-CB 4.44Å; D238-W285 HydrophobicContact CB-CZ2 4.49Å; V244-W285 HydrophobicContact CG2-CH2 3.97Å; V244-W285 HydrophobicContact CG2-CZ2 3.55Å; V246-W285 HydrophobicContact CG1-CB 4.37Å; V246-W285 HydrophobicContact CG2-CB 4.15Å; V246-W285 HydrophobicContact CG2-CD2 3.88Å; V246-W285 HydrophobicContact CG2-CE3 3.87Å; V246-W285 HydrophobicContact CG2-CG 4.04Å; V261-W285 HydrophobicContact CB-CZ3 4.45Å; V261-W285 HydrophobicContact CG1-CE3 4.32Å; V261-W285 HydrophobicContact CG1-CH2 4.08Å; V261-W285 HydrophobicContact CG1-CZ3 3.64Å; V261-W285 HydrophobicContact CG2-CE3 4.13Å; V261-W285 HydrophobicContact CG2-CZ3 3.99Å; L277-W285 HydrophobicContact CD2-CH2 3.54Å; L277-W285 HydrophobicContact CD2-CZ3 3.63Å; T281-W285 HydrophobicContact CG2-CD2 3.84Å; T281-W285 HydrophobicContact CG2-CE3 4.29Å; T281-W285 HydrophobicContact CG2-CG 4.48Å; T281-W285 HydrophobicContact CG2-CH2 3.75Å; T281-W285 HydrophobicContact CG2-CZ2 3.2Å; T281-W285 HydrophobicContact CG2-CZ3 4.24Å; T281-W285 PolarHBondContact O-N 2.85Å; I282-W285 HydrophobicContact CD1-CE3 3.95Å; I282-W285 HydrophobicContact CD1-CZ3 3.97Å; I282-W285 PolarHBondContact O-N 2.95Å; H283-W285 PolarHBondContact O-N 2.84Å; W285-T287 PolarHBondContact O-N 2.94Å; W285-S288 PolarHBondContact O-N 3.21Å; W285-L289 WeakPolarHBondContact O-CD2 3.34Å; W285-L289 VanDerWaalsContact O-CG 3.24Å; W285-L289 WeakPolarHBondContact O-CG 3.35Å
286T89.7Confident91.5Very high15 Ų1555.7 Ų55.79%0.09227%0.274CS..Hα-helixtrans-71.1-28.1-176.7540000113.5F259 I282 H283 L284 F384 R386F259-T286 HydrophobicContact CD1-CG2 3.77Å; F259-T286 HydrophobicContact CE1-CG2 3.55Å; F259-T286 HydrophobicContact CG-CG2 4.35Å; F259-T286 HydrophobicContact CZ-CG2 3.96Å; I282-T286 HydrophobicContact CG2-CG2 4.28Å; I282-T286 WeakPolarHBondContact O-CB 3.44Å; I282-T286 WeakPolarHBondContact O-CG2 3.33Å; I282-T286 PolarHBondContact O-N 3.14Å; I282-T286 PolarHBondContact O-OG1 3.33Å; H283-T286 PolarHBondContact O-N 2.91Å; H283-T286 PolarHBondContact O-OG1 3.48Å; L284-T286 PolarHBondContact O-N 3.15Å; T286-F384 HydrophobicContact CG2-CE2 3.78Å; T286-F384 HydrophobicContact CG2-CZ 3.72Å; T286-R386 PolarHBondContact OG1-NH1 3.49Å
287T90.1Very high92Very high84 Ų8454.3 Ų54.352%0.51527%0.267SS..Hα-helixtrans-89.3-15.9178.354.90000113.8H283 L284 W285H283-T287 WeakPolarHBondContact O-CB 3.38Å; H283-T287 WeakPolarHBondContact O-CG2 3.21Å; H283-T287 PolarHBondContact O-N 2.82Å; H283-T287 VanDerWaalsContact O-N 3.08Å; H283-T287 PolarHBondContact O-OG1 3.37Å; L284-T287 PolarHBondContact O-N 2.95Å; L284-T287 PolarHBondContact O-OG1 3.46Å; W285-T287 PolarHBondContact O-N 2.94Å
288S93.7Very high92.2Very high49 Ų4954 Ų5434%0.34327%0.265SS..SBendtrans-106.811.6-173.6-58.60000114.2L284 W285L284-S288 WeakPolarHBondContact O-CB 3.4Å; L284-S288 PolarHBondContact O-N 2.82Å; L284-S288 PolarHBondContact O-OG 2.9Å; W285-S288 PolarHBondContact O-N 3.21Å
289L94.9Very high92.3Very high26 Ų2651.6 Ų51.614%0.13625%0.25CS..  trans-69.7148.1177.1-57.1-176.6000111.5N232 F236 V246 E248 F259 W285N232-L289 HydrophobicContact CB-CB 3.95Å; N232-L289 HydrophobicContact CB-CD1 4.06Å; F236-L289 HydrophobicContact CE2-CD2 3.78Å; F236-L289 HydrophobicContact CZ-CD2 4.08Å; V246-L289 HydrophobicContact CB-CD2 4.07Å; V246-L289 HydrophobicContact CG1-CD2 4Å; E248-L289 HydrophobicContact CB-CD1 3.52Å; F259-L289 HydrophobicContact CD1-CD1 4.18Å; F259-L289 HydrophobicContact CE1-CD1 3.67Å; W285-L289 WeakPolarHBondContact O-CD2 3.34Å; W285-L289 VanDerWaalsContact O-CG 3.24Å; W285-L289 WeakPolarHBondContact O-CG 3.35Å
290R94.4Very high92.1Very high197 Ų19753.6 Ų53.674%0.74326%0.256SS*.EExtended strand (participates in β ladder)trans-122.9146.4177.1-61.9-176-176-87.5-1.7110.4Y233 A292Y233-R290 PolarHBondContact N-O 3.15Å; Y233-R290 PolarHBondContact O-N 2.97Å; R290-A292 PolarHBondContact O-N 3.05Å
291R94.6Very high91.9Very high214 Ų21449.9 Ų49.981%0.80823%0.23SC*.EExtended strand (participates in β ladder)trans-64.2127.6174.5-70.4-177.6-176.1173.94.4110.1V231 N232V231-R291 CarbonylContact O-C 3.55Å; V231-R291 WeakPolarHBondContact O-CA 3.45Å; N232-R291 WeakPolarHBondContact OD1-CG 3.43Å
292A92Very high91.5Very high33 Ų3351.1 Ų51.127%0.27323%0.233SC..EExtended strand (participates in β ladder)trans-141.9144.717600000109.9E230 V231 R290 M294E230-A292 WeakPolarHBondContact CA-O 3.33Å; V231-A292 WeakPolarHBondContact CG2-O 3.41Å; V231-A292 PolarHBondContact N-O 3.23Å; V231-A292 PolarHBondContact O-N 2.87Å; R290-A292 PolarHBondContact O-N 3.05Å; A292-M294 HydrophobicContact CB-CG 4.01Å; A292-M294 HydrophobicContact CB-SD 4.22Å
293R92.6Very high91.1Very high142 Ų14251.2 Ų51.254%0.53623%0.233SC..EExtended strand (participates in β ladder)trans-85.8119.6169.9-174.2175.2178.9171.50.3108.7M228 E230M228-R293 PolarHBondContact SD-NH2 2.86Å; E230-R293 HydrophobicContact CG-CB 4.49Å
294M93Very high90.8Very high2 Ų253.4 Ų53.41%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-138.5153.6-173.2-59-172.875.900112.1A229 V231 Y233 A292 V296 P373 F375A229-M294 PolarHBondContact N-O 2.72Å; A229-M294 VanDerWaalsContact N-O 3.1Å; A229-M294 PolarHBondContact O-N 3.35Å; V231-M294 HydrophobicContact CG2-CB 3.98Å; V231-M294 HydrophobicContact CG2-CG 3.96Å; V231-M294 HydrophobicContact CG2-SD 3.98Å; Y233-M294 VanDerWaalsContact CB-SD 3.58Å; Y233-M294 HydrophobicContact CD1-CE 3.92Å; Y233-M294 HydrophobicContact CD1-SD 3.64Å; Y233-M294 HydrophobicContact CD2-CE 4.22Å; Y233-M294 HydrophobicContact CD2-SD 3.98Å; Y233-M294 HydrophobicContact CE1-CE 3.97Å; Y233-M294 HydrophobicContact CE1-SD 4.31Å; Y233-M294 HydrophobicContact CE2-CE 4.32Å; Y233-M294 HydrophobicContact CG-CE 4.04Å; Y233-M294 HydrophobicContact CG-SD 3.44Å; A292-M294 HydrophobicContact CB-CG 4.01Å; A292-M294 HydrophobicContact CB-SD 4.22Å; M294-V296 HydrophobicContact CB-CG2 4.37Å; M294-P373 VanDerWaalsContact CA-O 3.25Å; M294-P373 WeakPolarHBondContact CA-O 3.39Å; M294-P373 WeakPolarHBondContact CB-O 3.33Å; M294-P373 HydrophobicContact CE-CB 4.01Å; M294-P373 HydrophobicContact CG-CB 4.39Å; M294-F375 HydrophobicContact CE-CB 3.9Å
295D94.5Very high90.5Very high29 Ų2949.6 Ų49.616%0.15522%0.224CC..EExtended strand (participates in β ladder)trans-81.5121.3159.4-80.8-57.4000108.8H226 F297 P373 T374 F375H226-D295 IonicContact CE1-OD1 3.78Å; H226-D295 IonicContact NE2-OD1 3.74Å; H226-D295 PolarHBondContact NE2-OD1 3.22Å; D295-F297 HydrophobicContact CB-CE2 4.08Å; D295-P373 PolarHBondContact N-O 3.1Å; D295-T374 HydrophobicContact CB-CG2 4.19Å; D295-T374 CarbonylContact O-C 3.54Å; D295-T374 WeakPolarHBondContact O-CA 3.23Å; D295-F375 PolarHBondContact O-N 3.19Å
296V95.2Very high90.2Very high0 Ų054.1 Ų54.10%025%0.245CC..EExtended strand (participates in β ladder)trans-113.4123.9-177.21800000109.7F202 H226 Q227 V231 L247 L249 M294 F375F202-V296 HydrophobicContact CE1-CG1 4.45Å; F202-V296 HydrophobicContact CZ-CG1 4.34Å; H226-V296 WeakPolarHBondContact CA-O 3.41Å; Q227-V296 HydrophobicContact CG-CB 4.28Å; Q227-V296 PolarHBondContact N-O 3.06Å; Q227-V296 VanDerWaalsContact N-O 3.11Å; Q227-V296 PolarHBondContact O-N 3Å; V231-V296 HydrophobicContact CG1-CG2 4.12Å; V231-V296 HydrophobicContact CG2-CG2 4.45Å; L247-V296 HydrophobicContact CD2-CB 4.5Å; L247-V296 HydrophobicContact CD2-CG1 3.65Å; L247-V296 HydrophobicContact CD2-CG2 4Å; L249-V296 HydrophobicContact CD1-CG1 4.35Å; M294-V296 HydrophobicContact CB-CG2 4.37Å; V296-F375 WeakPolarHBondContact CA-O 3.5Å
297F94.9Very high90Very high37 Ų3754.1 Ų54.116%0.16224%0.244CC..EExtended strand (participates in β ladder)trans-116.5120173.5-65.1-93.6000109.7L210 M224 M225 H226 D295 T374 F375 K376 A377L210-F297 HydrophobicContact CD1-CD1 3.79Å; L210-F297 HydrophobicContact CD1-CE1 3.89Å; M224-F297 HydrophobicContact CG-CB 3.83Å; M224-F297 HydrophobicContact CG-CD1 4Å; M224-F297 HydrophobicContact CG-CG 4.42Å; M224-F297 HydrophobicContact SD-CB 4.05Å; M225-F297 WeakPolarHBondContact O-CA 3.43Å; H226-F297 HydrophobicContact CB-CD1 4.02Å; H226-F297 HydrophobicContact CB-CE1 3.9Å; H226-F297 AromaticContact CD2-CE1 3.54Å; H226-F297 AromaticContact CD2-CE2 3.75Å; H226-F297 AromaticContact CD2-CZ 3.39Å; H226-F297 WeakPolarHBondContact CD2-CZ 3.41Å; H226-F297 AromaticContact CG-CE1 3.79Å; H226-F297 AromaticContact NE2-CZ 3.91Å; D295-F297 HydrophobicContact CB-CE2 4.08Å; F297-T374 HydrophobicContact CD2-CG2 3.72Å; F297-T374 HydrophobicContact CE2-CG2 3.69Å; F297-F375 PolarHBondContact N-O 3.11Å; F297-K376 HydrophobicContact CB-CB 4.15Å; F297-K376 HydrophobicContact CB-CD 4.47Å; F297-K376 HydrophobicContact CB-CG 3.81Å; F297-K376 HydrophobicContact CD2-CB 4.32Å; F297-K376 HydrophobicContact CD2-CD 4.49Å; F297-K376 HydrophobicContact CD2-CG 4.42Å; F297-K376 HydrophobicContact CG-CD 4.46Å; F297-K376 HydrophobicContact CG-CG 4.28Å; F297-A377 PolarHBondContact O-N 2.96Å
298L93.8Very high89.8Confident0 Ų053.4 Ų53.40%024%0.237CC..EExtended strand (participates in β ladder)trans-133127.6-177.6177.166.2000109.5W198 F202 M225 L249 L258 L260 V351 A377 F381W198-L298 HydrophobicContact CH2-CD2 4.06Å; W198-L298 HydrophobicContact CZ2-CD2 4.03Å; F202-L298 HydrophobicContact CE1-CB 4.45Å; F202-L298 HydrophobicContact CE2-CD2 4.39Å; F202-L298 HydrophobicContact CZ-CB 4.16Å; F202-L298 HydrophobicContact CZ-CD2 4.2Å; M225-L298 WeakPolarHBondContact CB-O 3.34Å; M225-L298 HydrophobicContact CE-CB 4.25Å; M225-L298 HydrophobicContact CE-CD2 3.79Å; M225-L298 HydrophobicContact CE-CG 3.96Å; M225-L298 PolarHBondContact N-O 2.77Å; M225-L298 PolarHBondContact O-N 2.86Å; L249-L298 HydrophobicContact CD1-CD2 4.13Å; L258-L298 HydrophobicContact CD2-CD2 4.28Å; L260-L298 HydrophobicContact CD1-CD1 3.74Å; L260-L298 HydrophobicContact CD2-CD1 3.89Å; L260-L298 HydrophobicContact CG-CD1 4.49Å; L298-V351 HydrophobicContact CD2-CG1 3.92Å; L298-A377 HydrophobicContact CD1-CB 4.43Å; L298-F381 HydrophobicContact CD1-CZ 4.25Å
299P92Very high89.7Confident2 Ų251.2 Ų51.21%0.01322%0.221CC..EExtended strand (participates in β ladder)trans-66.2143177.225.5-32.2000110.5V222 P223 M224 F301 A377 F381V222-P299 HydrophobicContact CG2-CB 4.28Å; P223-P299 WeakPolarHBondContact O-CA 3.38Å; M224-P299 HydrophobicContact SD-CB 4.26Å; M224-P299 VanDerWaalsContact SD-N 3.38Å; P299-F301 VanDerWaalsContact O-CD1 3.32Å; P299-F301 WeakPolarHBondContact O-CD1 3.43Å; P299-A377 WeakPolarHBondContact CD-O 3.44Å; P299-F381 HydrophobicContact CG-CE1 3.72Å; P299-F381 HydrophobicContact CG-CZ 3.92Å
300R86.8Confident89.5Confident48 Ų4852.5 Ų52.518%0.18123%0.226CC..  trans-74.6128.9167-172.6-163.8-71.4167.9-2.4108.6P223 M225 V351 L352 E353 S412P223-R300 HydrophobicContact CB-CB 4.32Å; P223-R300 HydrophobicContact CG-CB 4.16Å; P223-R300 PolarHBondContact O-N 2.98Å; M225-R300 HydrophobicContact CG-CB 4.24Å; M225-R300 HydrophobicContact SD-CB 4.38Å; R300-V351 WeakPolarHBondContact CG-O 3.39Å; R300-L352 HydrophobicContact CG-CD2 3.69Å; R300-E353 IonicContact CZ-OE1 3.01Å; R300-E353 IonicContact CZ-OE2 3.92Å; R300-E353 VanDerWaalsContact CZ-OE2 3.3Å; R300-E353 IonicContact NE-OE1 2.89Å; R300-E353 PolarHBondContact NE-OE1 3.38Å; R300-E353 IonicContact NE-OE2 3.52Å; R300-E353 PolarHBondContact NE-OE2 3.17Å; R300-E353 IonicContact NH2-OE1 2.96Å; R300-E353 PolarHBondContact NH2-OE1 2.92Å; R300-E353 IonicContact NH2-OE2 3.18Å; R300-E353 PolarHBondContact NH2-OE2 3.3Å; R300-S412 PolarHBondContact NH1-O 2.99Å; R300-S412 VanDerWaalsContact NH1-O 3.1Å
301F84.4Confident89.3Confident4 Ų446.9 Ų46.92%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-150.1152.7177.664.8-92.2000113.2P299 I303 I349 V351 F381 Y383 I399 Y416P299-F301 VanDerWaalsContact O-CD1 3.32Å; P299-F301 WeakPolarHBondContact O-CD1 3.43Å; F301-I303 HydrophobicContact CD2-CD1 3.94Å; F301-I303 HydrophobicContact CD2-CG1 4.05Å; F301-I303 HydrophobicContact CE2-CD1 4.36Å; F301-I349 HydrophobicContact CE2-CG2 4.18Å; F301-V351 HydrophobicContact CD1-CB 4.11Å; F301-V351 HydrophobicContact CD1-CG1 4.47Å; F301-V351 HydrophobicContact CD1-CG2 4.48Å; F301-V351 HydrophobicContact CD2-CB 4.43Å; F301-V351 HydrophobicContact CD2-CG2 4.27Å; F301-V351 HydrophobicContact CE1-CB 3.86Å; F301-V351 HydrophobicContact CE1-CG1 4.03Å; F301-V351 HydrophobicContact CE1-CG2 3.86Å; F301-V351 HydrophobicContact CE2-CB 4.21Å; F301-V351 HydrophobicContact CE2-CG2 3.63Å; F301-V351 HydrophobicContact CG-CB 4.39Å; F301-V351 HydrophobicContact CZ-CB 3.93Å; F301-V351 HydrophobicContact CZ-CG1 4.39Å; F301-V351 HydrophobicContact CZ-CG2 3.4Å; F301-V351 VanDerWaalsContact CZ-CG2 3.4Å; F301-V351 PolarHBondContact N-O 2.91Å; F301-V351 PolarHBondContact O-N 3.1Å; F301-F381 HydrophobicContact CE1-CZ 4.2Å; F301-Y383 HydrophobicContact CE2-CE1 4.14Å; F301-Y383 HydrophobicContact CZ-CD1 4.28Å; F301-Y383 HydrophobicContact CZ-CE1 4.15Å; F301-I399 HydrophobicContact CD1-CD1 4.33Å; F301-I399 HydrophobicContact CD1-CG1 4.44Å; F301-I399 HydrophobicContact CD2-CD1 3.8Å; F301-I399 HydrophobicContact CE1-CD1 4.34Å; F301-I399 HydrophobicContact CE1-CG1 4.19Å; F301-I399 HydrophobicContact CE2-CD1 3.79Å; F301-I399 HydrophobicContact CE2-CG1 4.38Å; F301-I399 HydrophobicContact CG-CD1 4.07Å; F301-I399 HydrophobicContact CZ-CD1 4.06Å; F301-I399 HydrophobicContact CZ-CG1 4.14Å; F301-Y416 HydrophobicContact CB-CE2 4.48Å
302R83.3Confident89.1Confident42 Ų4237.4 Ų37.416%0.15818%0.182CC..EExtended strand (participates in β ladder)trans-131.7125.3169177.3174.8171.3173.8-5.9107.7E165 I349 E350E165-R302 IonicContact OE1-NH1 3.47Å; E165-R302 IonicContact OE2-CZ 3.71Å; E165-R302 IonicContact OE2-NH1 2.85Å; E165-R302 PolarHBondContact OE2-NH1 2.79Å; E165-R302 IonicContact OE2-NH2 3.79Å; E165-R302 PolarHBondContact OE2-NH2 2.92Å; R302-I349 WeakPolarHBondContact CA-O 3.47Å; R302-E350 HydrophobicContact CB-CG 4.5Å; R302-E350 HydrophobicContact CG-CB 4.39Å; R302-E350 IonicContact NE-OE2 2.81Å; R302-E350 IonicContact NH1-OE1 3.3Å; R302-E350 IonicContact NH1-OE2 2.64Å
303I82.1Confident89.3Confident4 Ų435.9 Ų35.92%0.02117%0.169CC..EExtended strand (participates in β ladder)trans-128.7139.3-179.4-60.6174.2000108.5N49 V51 F301 N305 K348 I349 I399 Y416N49-I303 HydrophobicContact CB-CD1 4.03Å; V51-I303 HydrophobicContact CB-CB 4.26Å; V51-I303 HydrophobicContact CB-CG2 3.83Å; V51-I303 HydrophobicContact CG1-CB 4.2Å; V51-I303 HydrophobicContact CG1-CG2 3.66Å; F301-I303 HydrophobicContact CD2-CD1 3.94Å; F301-I303 HydrophobicContact CD2-CG1 4.05Å; F301-I303 HydrophobicContact CE2-CD1 4.36Å; I303-N305 WeakPolarHBondContact CG2-OD1 3.44Å; I303-K348 WeakPolarHBondContact O-CA 3.17Å; I303-I349 HydrophobicContact CB-CG2 4.24Å; I303-I349 PolarHBondContact N-O 2.9Å; I303-I349 PolarHBondContact O-N 3.26Å; I303-I399 HydrophobicContact CD1-CD1 3.1Å; I303-I399 HydrophobicContact CG1-CD1 4.41Å; I303-Y416 HydrophobicContact CG1-CD2 4.09Å; I303-Y416 HydrophobicContact CG1-CE2 4.43Å
304Q82.8Confident89.3Confident100 Ų10032.1 Ų32.147%0.46716%0.16SC..EExtended strand (participates in β ladder)trans-138.8132.1173.3-178.4176.2-15.100109.2A347 K348Q304-A347 CarbonylContact C-O 3.57Å; Q304-A347 VanDerWaalsContact CA-O 3.27Å; Q304-A347 WeakPolarHBondContact CA-O 3.37Å; Q304-K348 HydrophobicContact CB-CB 4.45Å; Q304-K348 HydrophobicContact CB-CG 4.46Å; Q304-K348 HydrophobicContact CG-CB 4.28Å
305N84.6Confident89.4Confident13 Ų1336 Ų367%0.0719%0.187CC..EExtended strand (participates in β ladder)trans-138.3157.5176.4-66.4104.8000111.7R45 F50 V51 I303 F307 K346 A347R45-N305 PolarHBondContact NH1-ND2 2.91Å; F50-N305 WeakPolarHBondContact CA-OD1 3.38Å; V51-N305 HydrophobicContact CG1-CB 4.21Å; V51-N305 PolarHBondContact N-OD1 2.78Å; I303-N305 WeakPolarHBondContact CG2-OD1 3.44Å; N305-F307 HydrophobicContact CB-CD2 4.49Å; N305-F307 HydrophobicContact CB-CE2 3.61Å; N305-F307 HydrophobicContact CB-CZ 3.78Å; N305-K346 WeakPolarHBondContact O-CA 3.33Å; N305-A347 PolarHBondContact N-O 3.21Å; N305-A347 PolarHBondContact O-N 2.89Å
306Q84.9Confident89.4Confident96 Ų9635.8 Ų35.845%0.44918%0.184SC..EExtended strand (participates in β ladder)trans-126.8140.2171.7177.3175.6-22.900108.4I344 H345 K346Q306-I344 HydrophobicContact CG-CG2 3.77Å; Q306-H345 CarbonylContact C-O 3.48Å; Q306-H345 VanDerWaalsContact CA-O 3.31Å; Q306-H345 WeakPolarHBondContact CA-O 3.48Å; Q306-K346 HydrophobicContact CB-CG 4.16Å; Q306-K346 HydrophobicContact CG-CG 3.99Å; Q306-K346 VanDerWaalsContact OE1-CE 3.27Å
307F85Confident89.4Confident14 Ų1437.5 Ų37.56%0.06120%0.202CC..EExtended strand (participates in β ladder)trans-129.3140.1178.3-58.2-86.2000110.4V41 F50 V51 I52 N305 L309 I344 H345V41-F307 HydrophobicContact CB-CE1 4.43Å; V41-F307 HydrophobicContact CG1-CD1 4.37Å; V41-F307 HydrophobicContact CG1-CE1 3.46Å; V41-F307 VanDerWaalsContact CG1-CE1 3.46Å; V41-F307 HydrophobicContact CG1-CZ 3.94Å; V41-F307 HydrophobicContact CG2-CD1 4.21Å; V41-F307 HydrophobicContact CG2-CE1 4.02Å; F50-F307 HydrophobicContact CB-CZ 4.23Å; F50-F307 HydrophobicContact CD2-CZ 4.48Å; V51-F307 WeakPolarHBondContact O-CE2 3.43Å; I52-F307 HydrophobicContact CB-CE2 3.87Å; I52-F307 HydrophobicContact CB-CZ 4.23Å; I52-F307 HydrophobicContact CD1-CD2 3.88Å; I52-F307 HydrophobicContact CD1-CE2 4Å; I52-F307 HydrophobicContact CD1-CG 4.16Å; I52-F307 HydrophobicContact CD1-CZ 4.38Å; I52-F307 HydrophobicContact CG1-CD2 4.19Å; I52-F307 HydrophobicContact CG1-CE2 4.05Å; N305-F307 HydrophobicContact CB-CD2 4.49Å; N305-F307 HydrophobicContact CB-CE2 3.61Å; N305-F307 HydrophobicContact CB-CZ 3.78Å; F307-L309 HydrophobicContact CB-CD2 4.43Å; F307-I344 WeakPolarHBondContact O-CA 3.24Å; F307-H345 PolarHBondContact N-O 2.89Å; F307-H345 PolarHBondContact O-N 2.64Å
308N87.3Confident89.5Confident69 Ų6935.8 Ų35.837%0.36919%0.194SC..EExtended strand (participates in β ladder)trans-86.9107.5161.1-171.5-33000108.3K310 S311 E342 A343N308-K310 VanDerWaalsContact C-N 3.25Å; N308-K310 PolarHBondContact O-N 3.1Å; N308-K310 WeakPolarHBondContact OD1-CB 3.09Å; N308-K310 PolarHBondContact OD1-N 3.25Å; N308-S311 PolarHBondContact O-OG 2.98Å; N308-E342 PolarHBondContact ND2-OE2 3.24Å; N308-A343 CarbonylContact C-O 3.55Å; N308-A343 PolarHBondContact OD1-O 2.89Å
309L91.1Very high89.6Confident3 Ų338.6 Ų38.62%0.01621%0.212CC..Hα-helixtrans-68.3-23.4-176.8-61.6-178.1000112.7V57 F307 S311 I312 L313 A343 H345V57-L309 HydrophobicContact CB-CD2 4.48Å; V57-L309 HydrophobicContact CG1-CD1 3.97Å; V57-L309 HydrophobicContact CG1-CD2 3.88Å; V57-L309 HydrophobicContact CG2-CD1 4.3Å; V57-L309 HydrophobicContact CG2-CD2 3.73Å; F307-L309 HydrophobicContact CB-CD2 4.43Å; L309-S311 VanDerWaalsContact C-N 3.31Å; L309-S311 PolarHBondContact O-N 3.35Å; L309-I312 HydrophobicContact CD2-CD1 4.44Å; L309-I312 PolarHBondContact O-N 3.44Å; L309-I312 VanDerWaalsContact O-N 3.13Å; L309-L313 HydrophobicContact CB-CD1 3.83Å; L309-L313 HydrophobicContact CB-CG 4.35Å; L309-L313 VanDerWaalsContact O-CB 3.31Å; L309-L313 WeakPolarHBondContact O-CB 3.46Å; L309-L313 WeakPolarHBondContact O-CG 3.28Å; L309-L313 PolarHBondContact O-N 3.34Å; L309-A343 HydrophobicContact CB-CB 3.91Å; L309-A343 HydrophobicContact CD1-CB 4.46Å; L309-A343 PolarHBondContact N-O 2.95Å; L309-H345 HydrophobicContact CD1-CB 3.95Å; L309-H345 HydrophobicContact CD2-CB 3.8Å; L309-H345 HydrophobicContact CG-CB 3.93Å
310K90.4Very high89.8Confident53 Ų5339.1 Ų39.123%0.2322%0.215CC..Hα-helixtrans-54.1-47.2-179.4-176.8168.5177.8169.80112.3N308 I312 L313 N314 F322 S341 E342N308-K310 VanDerWaalsContact C-N 3.25Å; N308-K310 PolarHBondContact O-N 3.1Å; N308-K310 WeakPolarHBondContact OD1-CB 3.09Å; N308-K310 PolarHBondContact OD1-N 3.25Å; K310-I312 PolarHBondContact O-N 2.9Å; K310-L313 PolarHBondContact O-N 2.78Å; K310-N314 VanDerWaalsContact O-CB 3.26Å; K310-N314 WeakPolarHBondContact O-CB 3.39Å; K310-N314 PolarHBondContact O-N 3.04Å; K310-N314 PolarHBondContact O-ND2 3.02Å; K310-F322 HydrophobicContact CB-CD1 4.14Å; K310-F322 HydrophobicContact CB-CE1 3.89Å; K310-F322 HydrophobicContact CB-CE2 4.46Å; K310-F322 HydrophobicContact CB-CZ 4.07Å; K310-F322 HydrophobicContact CD-CB 4.36Å; K310-F322 HydrophobicContact CD-CD1 3.81Å; K310-F322 HydrophobicContact CD-CE1 4.34Å; K310-F322 HydrophobicContact CD-CG 4.13Å; K310-F322 HydrophobicContact CG-CB 4.28Å; K310-F322 HydrophobicContact CG-CD1 3.66Å; K310-F322 HydrophobicContact CG-CD2 4.03Å; K310-F322 HydrophobicContact CG-CE1 3.92Å; K310-F322 HydrophobicContact CG-CE2 4.28Å; K310-F322 HydrophobicContact CG-CG 3.72Å; K310-F322 HydrophobicContact CG-CZ 4.23Å; K310-S341 PolarHBondContact NZ-O 3Å; K310-E342 IonicContact NZ-OE1 3.65Å
311S89.2Confident90.3Very high79 Ų7936.9 Ų36.955%0.55221%0.206SC*.Hα-helixtrans-61.9-43178.663.20000112.7N308 L309 S315N308-S311 PolarHBondContact O-OG 2.98Å; L309-S311 VanDerWaalsContact C-N 3.31Å; L309-S311 PolarHBondContact O-N 3.35Å; S311-S315 PolarHBondContact O-N 2.89Å
312I91.9Very high90.7Very high16 Ų1637.5 Ų37.58%0.08221%0.209CC..Hα-helixtrans-67.6-48.9179.8-59.1173.6000109.9L37 V41 L309 K310 N314 S315 W316L37-I312 HydrophobicContact CD1-CD1 4.43Å; L37-I312 HydrophobicContact CD1-CG2 4.06Å; V41-I312 HydrophobicContact CG2-CD1 3.91Å; L309-I312 HydrophobicContact CD2-CD1 4.44Å; L309-I312 PolarHBondContact O-N 3.44Å; L309-I312 VanDerWaalsContact O-N 3.13Å; K310-I312 PolarHBondContact O-N 2.9Å; I312-N314 PolarHBondContact O-N 3.49Å; I312-S315 WeakPolarHBondContact O-CB 3.35Å; I312-S315 PolarHBondContact O-N 3.07Å; I312-S315 VanDerWaalsContact O-N 3.13Å; I312-S315 PolarHBondContact O-OG 3.2Å; I312-W316 HydrophobicContact CG2-CD2 4.45Å; I312-W316 HydrophobicContact CG2-CH2 4.2Å; I312-W316 HydrophobicContact CG2-CZ2 3.74Å; I312-W316 PolarHBondContact O-N 2.76Å
313L95Very high91.2Very high1 Ų137.5 Ų37.51%0.00521%0.212CC..Hα-helixtrans-68.2-36.4-176.7-67.7171.1000112.3L61 L309 K310 S315 W316 G317 V318 F322L61-L313 HydrophobicContact CD1-CD2 3.73Å; L61-L313 HydrophobicContact CD2-CD1 3.78Å; L61-L313 HydrophobicContact CD2-CD2 4.26Å; L309-L313 HydrophobicContact CB-CD1 3.83Å; L309-L313 HydrophobicContact CB-CG 4.35Å; L309-L313 VanDerWaalsContact O-CB 3.31Å; L309-L313 WeakPolarHBondContact O-CB 3.46Å; L309-L313 WeakPolarHBondContact O-CG 3.28Å; L309-L313 PolarHBondContact O-N 3.34Å; K310-L313 PolarHBondContact O-N 2.78Å; L313-S315 VanDerWaalsContact C-N 3.29Å; L313-S315 PolarHBondContact O-N 3.47Å; L313-W316 HydrophobicContact CD2-CE3 3.87Å; L313-W316 HydrophobicContact CD2-CZ3 4.1Å; L313-W316 CarbonylContact O-C 3.59Å; L313-W316 WeakPolarHBondContact O-CA 3.17Å; L313-W316 WeakPolarHBondContact O-CB 3.38Å; L313-W316 PolarHBondContact O-N 3.4Å; L313-G317 PolarHBondContact O-N 3.08Å; L313-V318 HydrophobicContact CB-CB 4.07Å; L313-V318 WeakPolarHBondContact O-CB 3.31Å; L313-V318 PolarHBondContact O-N 3Å; L313-F322 HydrophobicContact CB-CE2 3.87Å; L313-F322 HydrophobicContact CB-CZ 4.24Å; L313-F322 HydrophobicContact CD1-CE2 4.27Å; L313-F322 HydrophobicContact CD1-CZ 3.84Å
314N93.9Very high91.6Very high62 Ų6240.1 Ų40.133%0.33223%0.229SC..Hα-helixtrans-58.4-42.1170.4-80-23.4000111.6K310 I312 W316 G317 V318K310-N314 VanDerWaalsContact O-CB 3.26Å; K310-N314 WeakPolarHBondContact O-CB 3.39Å; K310-N314 PolarHBondContact O-N 3.04Å; K310-N314 PolarHBondContact O-ND2 3.02Å; I312-N314 PolarHBondContact O-N 3.49Å; N314-W316 PolarHBondContact O-N 2.89Å; N314-W316 VanDerWaalsContact O-N 3.14Å; N314-G317 PolarHBondContact O-N 2.96Å; N314-V318 PolarHBondContact OD1-O 2.99Å; N314-V318 VanDerWaalsContact OD1-O 3.08Å
315S93.5Very high92Very high84 Ų8443.2 Ų43.259%0.58725%0.248SC*.Hα-helixtrans-64.2-17.3176.5830000113.1S311 I312 L313S311-S315 PolarHBondContact O-N 2.89Å; I312-S315 WeakPolarHBondContact O-CB 3.35Å; I312-S315 PolarHBondContact O-N 3.07Å; I312-S315 VanDerWaalsContact O-N 3.13Å; I312-S315 PolarHBondContact O-OG 3.2Å; L313-S315 VanDerWaalsContact C-N 3.29Å; L313-S315 PolarHBondContact O-N 3.47Å
316W94.4Very high92.5Very high24 Ų2448.1 Ų48.19%0.09127%0.269CS..THydrogen-bonded Turntrans-96.30.3177.6-64.8-1.5000114F33 R36 L37 S40 A79 I312 L313 N314F33-W316 HydrophobicContact CD2-CZ3 4.16Å; F33-W316 HydrophobicContact CE2-CE3 4.46Å; F33-W316 HydrophobicContact CE2-CH2 4.22Å; F33-W316 AromaticContact CE2-CZ3 3.53Å; F33-W316 HydrophobicContact CE2-CZ3 3.53Å; F33-W316 HydrophobicContact CZ-CH2 4.41Å; F33-W316 AromaticContact CZ-CZ3 3.95Å; F33-W316 HydrophobicContact CZ-CZ3 3.95Å; R36-W316 HydrophobicContact CB-CZ2 4.22Å; R36-W316 HydrophobicContact CG-CD2 4.45Å; R36-W316 HydrophobicContact CG-CH2 4.42Å; R36-W316 HydrophobicContact CG-CZ2 3.73Å; R36-W316 VanDerWaalsContact CZ-CG 3.45Å; R36-W316 VanDerWaalsContact NH2-CA 3.32Å; R36-W316 VanDerWaalsContact NH2-CB 3.27Å; R36-W316 PolarHBondContact NH2-O 3.45Å; L37-W316 HydrophobicContact CB-CH2 3.8Å; L37-W316 HydrophobicContact CB-CZ2 4.24Å; L37-W316 HydrophobicContact CD1-CH2 3.73Å; L37-W316 HydrophobicContact CD1-CZ2 4.18Å; L37-W316 HydrophobicContact CG-CH2 4.35Å; S40-W316 PolarHBondContact OG-NE1 3.41Å; A79-W316 HydrophobicContact CB-CE3 4.46Å; I312-W316 HydrophobicContact CG2-CD2 4.45Å; I312-W316 HydrophobicContact CG2-CH2 4.2Å; I312-W316 HydrophobicContact CG2-CZ2 3.74Å; I312-W316 PolarHBondContact O-N 2.76Å; L313-W316 HydrophobicContact CD2-CE3 3.87Å; L313-W316 HydrophobicContact CD2-CZ3 4.1Å; L313-W316 CarbonylContact O-C 3.59Å; L313-W316 WeakPolarHBondContact O-CA 3.17Å; L313-W316 WeakPolarHBondContact O-CB 3.38Å; L313-W316 PolarHBondContact O-N 3.4Å; N314-W316 PolarHBondContact O-N 2.89Å; N314-W316 VanDerWaalsContact O-N 3.14Å
317G95.3Very high93Very high37 Ų3744.2 Ų44.238%0.38125%0.253SS..THydrogen-bonded Turntrans92.24.8-178.300000114.4Q75 L313 N314 T319Q75-G317 VanDerWaalsContact CG-O 3.26Å; Q75-G317 WeakPolarHBondContact CG-O 3.07Å; Q75-G317 PolarHBondContact OE1-O 3.49Å; L313-G317 PolarHBondContact O-N 3.08Å; N314-G317 PolarHBondContact O-N 2.96Å; G317-T319 VanDerWaalsContact C-N 3.31Å; G317-T319 PolarHBondContact O-N 3.35Å; G317-T319 VanDerWaalsContact O-N 3.11Å
318V97.1Very high93.5Very high0 Ų045.4 Ų45.40%026%0.26CS..  trans-85.677.3173.4-171.50000108.9Q75 L76 A79 L313 N314 L321 F322Q75-V318 HydrophobicContact CB-CG2 4.44Å; L76-V318 HydrophobicContact CD2-CG1 4.03Å; A79-V318 HydrophobicContact CB-CG2 3.45Å; A79-V318 VanDerWaalsContact CB-CG2 3.45Å; L313-V318 HydrophobicContact CB-CB 4.07Å; L313-V318 WeakPolarHBondContact O-CB 3.31Å; L313-V318 PolarHBondContact O-N 3Å; N314-V318 PolarHBondContact OD1-O 2.99Å; N314-V318 VanDerWaalsContact OD1-O 3.08Å; V318-L321 HydrophobicContact CG1-CB 3.84Å; V318-L321 HydrophobicContact CG1-CD2 3.95Å; V318-F322 HydrophobicContact CG1-CE2 4.43Å; V318-F322 WeakPolarHBondContact O-CD2 3.47Å; V318-F322 WeakPolarHBondContact O-CE2 3.35Å
319T96.7Very high93.9Very high59 Ų5942.2 Ų42.236%0.36224%0.243SC..  trans-101.3-37-176.854.90000112.8G317 L321 F322 D323G317-T319 VanDerWaalsContact C-N 3.31Å; G317-T319 PolarHBondContact O-N 3.35Å; G317-T319 VanDerWaalsContact O-N 3.11Å; T319-L321 VanDerWaalsContact C-N 3.25Å; T319-L321 PolarHBondContact O-N 2.86Å; T319-F322 PolarHBondContact O-N 3.21Å; T319-D323 PolarHBondContact O-N 2.91Å
320D97Very high94Very high14 Ų1446.4 Ų46.48%0.07526%0.261CS..G310 helixtrans-65.8-34.6-172.1-67.211.8000110.8S71 T72 Q75 F322 D323 K326 A327S71-D320 WeakPolarHBondContact CB-OD2 3.32Å; S71-D320 PolarHBondContact OG-OD2 3.47Å; T72-D320 WeakPolarHBondContact OG1-CB 3.27Å; Q75-D320 PolarHBondContact NE2-OD1 3.32Å; Q75-D320 PolarHBondContact NE2-OD2 2.63Å; D320-F322 PolarHBondContact O-N 3.48Å; D320-F322 VanDerWaalsContact O-N 3.08Å; D320-D323 PolarHBondContact O-N 2.72Å; D320-K326 HydrophobicContact CB-CB 4.01Å; D320-A327 WeakPolarHBondContact O-CA 3.47Å; D320-A327 VanDerWaalsContact O-CB 3.24Å; D320-A327 WeakPolarHBondContact O-CB 3.47Å; D320-A327 PolarHBondContact O-N 3.28Å; D320-A327 VanDerWaalsContact O-N 3.16Å
321L95.8Very high94.1Very high1 Ų144.8 Ų44.81%0.00526%0.259CS..G310 helixtrans-52.6-33178.2-17568.5000113.4L64 T72 L76 V318 T319 L329 V340L64-L321 HydrophobicContact CD1-CD1 3.83Å; L64-L321 HydrophobicContact CD1-CD2 3.72Å; L64-L321 HydrophobicContact CD1-CG 4.35Å; L64-L321 HydrophobicContact CD2-CD1 4.41Å; T72-L321 HydrophobicContact CG2-CB 4.24Å; T72-L321 HydrophobicContact CG2-CD1 4.02Å; L76-L321 HydrophobicContact CD2-CD2 4.14Å; V318-L321 HydrophobicContact CG1-CB 3.84Å; V318-L321 HydrophobicContact CG1-CD2 3.95Å; T319-L321 VanDerWaalsContact C-N 3.25Å; T319-L321 PolarHBondContact O-N 2.86Å; L321-L329 HydrophobicContact CD1-CD1 4.26Å; L321-L329 HydrophobicContact CD1-CD2 3.98Å; L321-V340 HydrophobicContact CD1-CB 4.4Å; L321-V340 HydrophobicContact CD1-CG2 3.57Å; L321-V340 HydrophobicContact CD2-CB 4.49Å; L321-V340 HydrophobicContact CD2-CG2 4.13Å; L321-V340 HydrophobicContact CG-CB 3.99Å; L321-V340 HydrophobicContact CG-CG2 3.66Å; L321-V340 PolarHBondContact O-N 2.85Å
322F94Very high94.3Very high16 Ų1641 Ų417%0.0723%0.233CC..G310 helixtrans-104.41.4-175.2-55.8-73.8000113.5K310 L313 V318 T319 D320 V340 A343K310-F322 HydrophobicContact CB-CD1 4.14Å; K310-F322 HydrophobicContact CB-CE1 3.89Å; K310-F322 HydrophobicContact CB-CE2 4.46Å; K310-F322 HydrophobicContact CB-CZ 4.07Å; K310-F322 HydrophobicContact CD-CB 4.36Å; K310-F322 HydrophobicContact CD-CD1 3.81Å; K310-F322 HydrophobicContact CD-CE1 4.34Å; K310-F322 HydrophobicContact CD-CG 4.13Å; K310-F322 HydrophobicContact CG-CB 4.28Å; K310-F322 HydrophobicContact CG-CD1 3.66Å; K310-F322 HydrophobicContact CG-CD2 4.03Å; K310-F322 HydrophobicContact CG-CE1 3.92Å; K310-F322 HydrophobicContact CG-CE2 4.28Å; K310-F322 HydrophobicContact CG-CG 3.72Å; K310-F322 HydrophobicContact CG-CZ 4.23Å; L313-F322 HydrophobicContact CB-CE2 3.87Å; L313-F322 HydrophobicContact CB-CZ 4.24Å; L313-F322 HydrophobicContact CD1-CE2 4.27Å; L313-F322 HydrophobicContact CD1-CZ 3.84Å; V318-F322 HydrophobicContact CG1-CE2 4.43Å; V318-F322 WeakPolarHBondContact O-CD2 3.47Å; V318-F322 WeakPolarHBondContact O-CE2 3.35Å; T319-F322 PolarHBondContact O-N 3.21Å; D320-F322 PolarHBondContact O-N 3.48Å; D320-F322 VanDerWaalsContact O-N 3.08Å; F322-V340 HydrophobicContact CD1-CB 4.02Å; F322-V340 HydrophobicContact CD1-CG1 4Å; F322-V340 WeakPolarHBondContact CD1-O 2.84Å; F322-V340 HydrophobicContact CE1-CB 4.08Å; F322-V340 HydrophobicContact CE1-CG1 3.69Å; F322-A343 HydrophobicContact CE1-CB 4.04Å; F322-A343 HydrophobicContact CZ-CB 4.38Å
323D92.4Very high94.2Very high43 Ų4340.8 Ų40.823%0.2323%0.233CC..  trans-103.7115.1-177.9-176.1-26.9000109.5T319 D320 L325 K326 A327T319-D323 PolarHBondContact O-N 2.91Å; D320-D323 PolarHBondContact O-N 2.72Å; D323-L325 PolarHBondContact O-N 2.65Å; D323-L325 PolarHBondContact OD1-N 2.55Å; D323-K326 HydrophobicContact CB-CB 4.08Å; D323-K326 HydrophobicContact CB-CD 4.42Å; D323-K326 HydrophobicContact CB-CG 4.38Å; D323-K326 PolarHBondContact O-N 3.24Å; D323-K326 VanDerWaalsContact O-N 3.1Å; D323-K326 VanDerWaalsContact OD2-CD 3.3Å; D323-K326 WeakPolarHBondContact OD2-CD 3.47Å; D323-K326 VanDerWaalsContact OD2-CE 3.32Å; D323-K326 WeakPolarHBondContact OD2-CE 3.44Å; D323-K326 IonicContact OD2-NZ 3.52Å; D323-A327 VanDerWaalsContact O-CB 3.28Å; D323-A327 WeakPolarHBondContact O-CB 3.38Å; D323-A327 PolarHBondContact O-N 3.44Å
324P90.4Very high93.8Very high58 Ų5843.2 Ų43.238%0.37726%0.257SS..THydrogen-bonded Turntrans-56.9-23.4-178.8-23.231.4000114.8Y339P324-Y339 HydrophobicContact CB-CD1 3.88Å; P324-Y339 HydrophobicContact CB-CE1 3.99Å; P324-Y339 HydrophobicContact CB-CG 4.26Å; P324-Y339 HydrophobicContact CG-CD1 4.01Å; P324-Y339 HydrophobicContact CG-CD2 4.03Å; P324-Y339 HydrophobicContact CG-CE1 3.85Å; P324-Y339 HydrophobicContact CG-CE2 3.85Å; P324-Y339 HydrophobicContact CG-CG 4.12Å
325L91.3Very high93.4Very high165 Ų16544 Ų4486%0.86426%0.259SS*.THydrogen-bonded Turntrans-94.2-18.4-177.7-61.1178.1000113.1D323D323-L325 PolarHBondContact O-N 2.65Å; D323-L325 PolarHBondContact OD1-N 2.55Å
326K95Very high92.9Very high116 Ų11646.2 Ų46.250%0.50427%0.265SS..THydrogen-bonded Turntrans-114.9-23.7-175.2-59.7179.7-171.4161.80113.8D320 D323 N328D320-K326 HydrophobicContact CB-CB 4.01Å; D323-K326 HydrophobicContact CB-CB 4.08Å; D323-K326 HydrophobicContact CB-CD 4.42Å; D323-K326 HydrophobicContact CB-CG 4.38Å; D323-K326 PolarHBondContact O-N 3.24Å; D323-K326 VanDerWaalsContact O-N 3.1Å; D323-K326 VanDerWaalsContact OD2-CD 3.3Å; D323-K326 WeakPolarHBondContact OD2-CD 3.47Å; D323-K326 VanDerWaalsContact OD2-CE 3.32Å; D323-K326 WeakPolarHBondContact OD2-CE 3.44Å; D323-K326 IonicContact OD2-NZ 3.52Å; K326-N328 PolarHBondContact O-N 3.06Å; K326-N328 VanDerWaalsContact O-N 3.14Å
327A95.8Very high92.5Very high14 Ų1446.8 Ų46.812%0.11628%0.278CS..  trans-56120.2179.900000110.1D320 D323 F338 Y339D320-A327 WeakPolarHBondContact O-CA 3.47Å; D320-A327 VanDerWaalsContact O-CB 3.24Å; D320-A327 WeakPolarHBondContact O-CB 3.47Å; D320-A327 PolarHBondContact O-N 3.28Å; D320-A327 VanDerWaalsContact O-N 3.16Å; D323-A327 VanDerWaalsContact O-CB 3.28Å; D323-A327 WeakPolarHBondContact O-CB 3.38Å; D323-A327 PolarHBondContact O-N 3.44Å; A327-F338 WeakPolarHBondContact CB-O 3.21Å; A327-Y339 VanDerWaalsContact CB-CB 3.46Å
328N95.8Very high92.3Very high39 Ų3945.1 Ų45.121%0.20926%0.26CS..  trans-111.685.7173.9-172.33.9000109.5A68 E69 T72 K326 K330A68-N328 WeakPolarHBondContact CA-O 3.47Å; E69-N328 WeakPolarHBondContact CB-ND2 3.37Å; E69-N328 PolarHBondContact N-O 2.89Å; E69-N328 WeakPolarHBondContact O-CB 3.42Å; T72-N328 PolarHBondContact OG1-N 3.29Å; K326-N328 PolarHBondContact O-N 3.06Å; K326-N328 VanDerWaalsContact O-N 3.14Å; N328-K330 WeakPolarHBondContact OD1-CG 3.48Å
329L95.3Very high92.1Very high2 Ų246.5 Ų46.51%0.0127%0.265CS..  trans-110.832.9178.1-64-180000111.4G67 A68 T72 L186 L321 G331 I332 S333 F338 V340G67-L329 CarbonylContact O-C 3.58Å; G67-L329 VanDerWaalsContact O-C 3.29Å; G67-L329 WeakPolarHBondContact O-CA 3.49Å; A68-L329 HydrophobicContact CB-CD2 3.83Å; T72-L329 HydrophobicContact CG2-CD2 4.21Å; L186-L329 HydrophobicContact CD2-CD1 4.4Å; L321-L329 HydrophobicContact CD1-CD1 4.26Å; L321-L329 HydrophobicContact CD1-CD2 3.98Å; L329-G331 PolarHBondContact O-N 2.9Å; L329-I332 HydrophobicContact CB-CD1 4.15Å; L329-I332 HydrophobicContact CB-CG1 4.31Å; L329-I332 HydrophobicContact CD1-CD1 4.32Å; L329-I332 HydrophobicContact CD2-CD1 4.02Å; L329-I332 HydrophobicContact CG-CD1 4.39Å; L329-I332 WeakPolarHBondContact O-CA 3.49Å; L329-I332 WeakPolarHBondContact O-CB 3.49Å; L329-I332 PolarHBondContact O-N 2.8Å; L329-S333 PolarHBondContact O-N 2.69Å; L329-F338 HydrophobicContact CB-CD1 3.72Å; L329-F338 HydrophobicContact CB-CE1 4.45Å; L329-F338 HydrophobicContact CD1-CD1 3.95Å; L329-F338 HydrophobicContact CD1-CE1 4.25Å; L329-V340 HydrophobicContact CD1-CG2 4.27Å
330K93.5Very high91.9Very high92 Ų9243.7 Ų43.740%0.425%0.248SC..Hα-helixtrans-63.2-27.9-176-72.4-173.5-179.2-159.20113.5N328 I332 G334 D336N328-K330 WeakPolarHBondContact OD1-CG 3.48Å; K330-I332 PolarHBondContact O-N 2.82Å; K330-G334 VanDerWaalsContact O-CA 3.25Å; K330-G334 WeakPolarHBondContact O-CA 3.37Å; K330-G334 PolarHBondContact O-N 2.97Å; K330-D336 WeakPolarHBondContact CE-OD1 3.44Å; K330-D336 IonicContact NZ-OD1 2.7Å; K330-D336 PolarHBondContact NZ-OD1 2.88Å
331G92.8Very high91.6Very high18 Ų1843.4 Ų43.419%0.18625%0.247CC..Hα-helixtrans-65.9-18.817200000113.5G67 S124 L329G67-G331 WeakPolarHBondContact O-CA 3.5Å; G67-G331 PolarHBondContact O-N 3.38Å; S124-G331 WeakPolarHBondContact CB-O 3.33Å; S124-G331 PolarHBondContact OG-O 2.93Å; L329-G331 PolarHBondContact O-N 2.9Å
332I93.3Very high91.2Very high1 Ų145.7 Ų45.71%0.00526%0.258CS..Hα-helixtrans-85.7-56176.6-53.9-172.7000111.7L64 L123 S124 F127 L329 K330 F338L64-I332 HydrophobicContact CD2-CD1 3.96Å; L123-I332 CarbonylContact C-O 3.24Å; L123-I332 WeakPolarHBondContact CA-O 3.15Å; L123-I332 HydrophobicContact CD2-CG2 3.73Å; S124-I332 WeakPolarHBondContact CB-O 3.47Å; S124-I332 PolarHBondContact N-O 3.33Å; F127-I332 HydrophobicContact CD1-CB 4.37Å; F127-I332 HydrophobicContact CD1-CG1 4.42Å; F127-I332 HydrophobicContact CD1-CG2 3.76Å; F127-I332 HydrophobicContact CD2-CG1 3.93Å; F127-I332 HydrophobicContact CE1-CB 4.42Å; F127-I332 HydrophobicContact CE1-CD1 4.36Å; F127-I332 HydrophobicContact CE1-CG1 4.22Å; F127-I332 HydrophobicContact CE1-CG2 3.65Å; F127-I332 HydrophobicContact CE2-CD1 3.93Å; F127-I332 HydrophobicContact CE2-CG1 3.71Å; F127-I332 HydrophobicContact CG-CB 4.44Å; F127-I332 HydrophobicContact CG-CG1 4.27Å; F127-I332 HydrophobicContact CG-CG2 4.31Å; F127-I332 HydrophobicContact CZ-CD1 3.77Å; F127-I332 HydrophobicContact CZ-CG1 3.87Å; F127-I332 HydrophobicContact CZ-CG2 4.13Å; L329-I332 HydrophobicContact CB-CD1 4.15Å; L329-I332 HydrophobicContact CB-CG1 4.31Å; L329-I332 HydrophobicContact CD1-CD1 4.32Å; L329-I332 HydrophobicContact CD2-CD1 4.02Å; L329-I332 HydrophobicContact CG-CD1 4.39Å; L329-I332 WeakPolarHBondContact O-CA 3.49Å; L329-I332 WeakPolarHBondContact O-CB 3.49Å; L329-I332 PolarHBondContact O-N 2.8Å; K330-I332 PolarHBondContact O-N 2.82Å; I332-F338 HydrophobicContact CB-CD1 4.35Å; I332-F338 HydrophobicContact CB-CE1 3.99Å; I332-F338 HydrophobicContact CD1-CE1 4.35Å; I332-F338 HydrophobicContact CG2-CD1 4.4Å; I332-F338 HydrophobicContact CG2-CE1 3.61Å; I332-F338 HydrophobicContact CG2-CZ 4.21Å
333S89.8Confident91Very high11 Ų1145.1 Ų45.18%0.07726%0.256CS..Hα-helixtrans-125-9.7-171.666.70000115.1P122 L329 Q335 F338P122-S333 WeakPolarHBondContact O-CA 3.44Å; P122-S333 WeakPolarHBondContact O-CB 3.33Å; L329-S333 PolarHBondContact O-N 2.69Å; S333-Q335 PolarHBondContact O-N 3.24Å; S333-Q335 PolarHBondContact OG-N 2.92Å; S333-F338 WeakPolarHBondContact OG-CB 3.11Å; S333-F338 WeakPolarHBondContact OG-CD1 3.16Å; S333-F338 WeakPolarHBondContact OG-CG 3.24Å
334G87.2Confident90.9Very high51 Ų5144.4 Ų44.453%0.52625%0.252SS..  trans64.3-6.2-172.700000115K330K330-G334 VanDerWaalsContact O-CA 3.25Å; K330-G334 WeakPolarHBondContact O-CA 3.37Å; K330-G334 PolarHBondContact O-N 2.97Å
335Q85.2Confident90.9Very high79 Ų7941.7 Ų41.737%0.36923%0.234SC..  trans-84142.4-179-68.2-172.8-31.200111.4P122 S333P122-Q335 HydrophobicContact CG-CG 3.84Å; S333-Q335 PolarHBondContact O-N 3.24Å; S333-Q335 PolarHBondContact OG-N 2.92Å
336D83.5Confident90.8Very high131 Ų13134.9 Ų34.970%0.70120%0.198SC*.THydrogen-bonded Turntrans-72.1146.7167.4-65.6-47.7000110.1K330 F338K330-D336 WeakPolarHBondContact CE-OD1 3.44Å; K330-D336 IonicContact NZ-OD1 2.7Å; K330-D336 PolarHBondContact NZ-OD1 2.88Å; D336-F338 VanDerWaalsContact C-N 3.3Å; D336-F338 PolarHBondContact O-N 3.02Å
337G84.6Confident90.3Very high36 Ų3629.4 Ų29.437%0.37117%0.174SC..THydrogen-bonded Turntrans74.216.3-179.900000114.7Y339G337-Y339 WeakPolarHBondContact O-CD1 3.12Å
338F91.1Very high89.7Confident1 Ų130 Ų300%0.00417%0.174CC..  trans-83.6117.6170.2-167.6-106.9000110.2V117 T121 Q185 L186 A327 L329 I332 S333 D336V117-F338 HydrophobicContact CG1-CE2 4.2Å; V117-F338 HydrophobicContact CG1-CZ 4.22Å; T121-F338 HydrophobicContact CG2-CD2 4.01Å; T121-F338 HydrophobicContact CG2-CE2 3.7Å; T121-F338 HydrophobicContact CG2-CZ 4.48Å; Q185-F338 HydrophobicContact CB-CD2 3.92Å; Q185-F338 HydrophobicContact CB-CE2 4.04Å; L186-F338 HydrophobicContact CB-CE1 4.32Å; L186-F338 HydrophobicContact CB-CE2 4.33Å; L186-F338 HydrophobicContact CB-CZ 3.81Å; L186-F338 HydrophobicContact CD2-CE1 3.88Å; L186-F338 HydrophobicContact CD2-CZ 4.06Å; L186-F338 HydrophobicContact CG-CZ 4.37Å; A327-F338 WeakPolarHBondContact CB-O 3.21Å; L329-F338 HydrophobicContact CB-CD1 3.72Å; L329-F338 HydrophobicContact CB-CE1 4.45Å; L329-F338 HydrophobicContact CD1-CD1 3.95Å; L329-F338 HydrophobicContact CD1-CE1 4.25Å; I332-F338 HydrophobicContact CB-CD1 4.35Å; I332-F338 HydrophobicContact CB-CE1 3.99Å; I332-F338 HydrophobicContact CD1-CE1 4.35Å; I332-F338 HydrophobicContact CG2-CD1 4.4Å; I332-F338 HydrophobicContact CG2-CE1 3.61Å; I332-F338 HydrophobicContact CG2-CZ 4.21Å; S333-F338 WeakPolarHBondContact OG-CB 3.11Å; S333-F338 WeakPolarHBondContact OG-CD1 3.16Å; S333-F338 WeakPolarHBondContact OG-CG 3.24Å; D336-F338 VanDerWaalsContact C-N 3.3Å; D336-F338 PolarHBondContact O-N 3.02Å
339Y93.1Very high89.1Confident29 Ų2928.1 Ų28.111%0.11416%0.164CC..  trans-142.6160.7-173.371.7-75.4000111.2F183 Q185 P324 A327 G337 S341F183-Y339 PolarHBondContact O-OH 2.73Å; Q185-Y339 HydrophobicContact CB-CD1 4.26Å; Q185-Y339 HydrophobicContact CB-CE1 4.24Å; Q185-Y339 HydrophobicContact CG-CD1 3.91Å; Q185-Y339 HydrophobicContact CG-CE1 3.66Å; P324-Y339 HydrophobicContact CB-CD1 3.88Å; P324-Y339 HydrophobicContact CB-CE1 3.99Å; P324-Y339 HydrophobicContact CB-CG 4.26Å; P324-Y339 HydrophobicContact CG-CD1 4.01Å; P324-Y339 HydrophobicContact CG-CD2 4.03Å; P324-Y339 HydrophobicContact CG-CE1 3.85Å; P324-Y339 HydrophobicContact CG-CE2 3.85Å; P324-Y339 HydrophobicContact CG-CG 4.12Å; A327-Y339 VanDerWaalsContact CB-CB 3.46Å; G337-Y339 WeakPolarHBondContact O-CD1 3.12Å; Y339-S341 PolarHBondContact O-N 3.14Å
340V92.4Very high88.6Confident0 Ų028.8 Ų28.80%017%0.167CC..EExtended strand (participates in β ladder)trans-78.8115.5172.1179.50000108.7L64 L186 L188 L321 F322 L329 E342 A343L64-V340 HydrophobicContact CD1-CG2 4.15Å; L64-V340 HydrophobicContact CD2-CG2 4.07Å; L186-V340 HydrophobicContact CD2-CG2 3.88Å; L186-V340 HydrophobicContact CG-CG2 4.35Å; L188-V340 HydrophobicContact CD1-CG1 4.08Å; L188-V340 HydrophobicContact CD1-CG2 4.21Å; L188-V340 HydrophobicContact CG-CG1 4.22Å; L321-V340 HydrophobicContact CD1-CB 4.4Å; L321-V340 HydrophobicContact CD1-CG2 3.57Å; L321-V340 HydrophobicContact CD2-CB 4.49Å; L321-V340 HydrophobicContact CD2-CG2 4.13Å; L321-V340 HydrophobicContact CG-CB 3.99Å; L321-V340 HydrophobicContact CG-CG2 3.66Å; L321-V340 PolarHBondContact O-N 2.85Å; F322-V340 HydrophobicContact CD1-CB 4.02Å; F322-V340 HydrophobicContact CD1-CG1 4Å; F322-V340 WeakPolarHBondContact CD1-O 2.84Å; F322-V340 HydrophobicContact CE1-CB 4.08Å; F322-V340 HydrophobicContact CE1-CG1 3.69Å; L329-V340 HydrophobicContact CD1-CG2 4.27Å; V340-E342 WeakPolarHBondContact CG1-O 3.17Å; V340-A343 HydrophobicContact CG1-CB 4.31Å
341S90.5Very high88.2Confident8 Ų824.4 Ų24.46%0.05615%0.148CC..EExtended strand (participates in β ladder)trans-75.4-50.7178.5-520000110.4A184 Q185 L186 K310 Y339A184-S341 VanDerWaalsContact CA-OG 3.26Å; A184-S341 WeakPolarHBondContact CA-OG 3.41Å; Q185-S341 PolarHBondContact N-OG 2.81Å; L186-S341 PolarHBondContact O-N 2.69Å; K310-S341 PolarHBondContact NZ-O 3Å; Y339-S341 PolarHBondContact O-N 3.14Å
342E87.9Confident87.9Confident50 Ų5024.7 Ų24.723%0.23415%0.146CC..EExtended strand (participates in β ladder)trans-139.7148.5-179.3-70.5-58.5137.900111.6V187 L188 N308 K310 V340V187-E342 WeakPolarHBondContact CA-O 3.35Å; V187-E342 HydrophobicContact CG1-CB 4.2Å; V187-E342 HydrophobicContact CG2-CB 4.27Å; L188-E342 PolarHBondContact N-O 2.73Å; N308-E342 PolarHBondContact ND2-OE2 3.24Å; K310-E342 IonicContact NZ-OE1 3.65Å; V340-E342 WeakPolarHBondContact CG1-O 3.17Å
343A90.6Very high87.5Confident3 Ų325.4 Ų25.43%0.02515%0.149CC..EExtended strand (participates in β ladder)trans-136.3116.3175.900000109.8L188 N308 L309 F322 V340L188-A343 HydrophobicContact CB-CB 4.31Å; L188-A343 HydrophobicContact CD1-CB 4.44Å; N308-A343 CarbonylContact C-O 3.55Å; N308-A343 PolarHBondContact OD1-O 2.89Å; L309-A343 HydrophobicContact CB-CB 3.91Å; L309-A343 HydrophobicContact CD1-CB 4.46Å; L309-A343 PolarHBondContact N-O 2.95Å; F322-A343 HydrophobicContact CE1-CB 4.04Å; F322-A343 HydrophobicContact CZ-CB 4.38Å; V340-A343 HydrophobicContact CG1-CB 4.31Å
344I90.3Very high86.4Confident29 Ų2928.6 Ų28.615%0.14916%0.163CC..EExtended strand (participates in β ladder)trans-121.5133.4-171.2-57.4172.4000108.9L188 V189 S190 Q306 F307 K346L188-I344 PolarHBondContact O-N 2.77Å; V189-I344 WeakPolarHBondContact CA-O 3.38Å; S190-I344 PolarHBondContact N-O 3.04Å; Q306-I344 HydrophobicContact CG-CG2 3.77Å; F307-I344 WeakPolarHBondContact O-CA 3.24Å; I344-K346 HydrophobicContact CG2-CG 4.36Å
345H90.6Very high84.4Confident0 Ų027.9 Ų27.90%016%0.155CC..EExtended strand (participates in β ladder)trans-122.2131.8170.4178.165.4000110.7S53 V57 S190 Q306 F307 L309S53-H345 PolarHBondContact N-NE2 3.42Å; S53-H345 VanDerWaalsContact N-NE2 3.14Å; V57-H345 HydrophobicContact CG2-CB 3.98Å; S190-H345 CarbonylContact O-C 3.55Å; S190-H345 WeakPolarHBondContact O-CA 3.24Å; S190-H345 PolarHBondContact OG-ND1 2.6Å; Q306-H345 CarbonylContact C-O 3.48Å; Q306-H345 VanDerWaalsContact CA-O 3.31Å; Q306-H345 WeakPolarHBondContact CA-O 3.48Å; F307-H345 PolarHBondContact N-O 2.89Å; F307-H345 PolarHBondContact O-N 2.64Å; L309-H345 HydrophobicContact CD1-CB 3.95Å; L309-H345 HydrophobicContact CD2-CB 3.8Å; L309-H345 HydrophobicContact CG-CB 3.93Å
346K87.8Confident81.8Confident22 Ų2230.1 Ų30.110%0.09617%0.174CC..EExtended strand (participates in β ladder)trans-118132.5175.2-62.3179.5-178.7177.50109.3E156 S190 T191 M192 N305 Q306 I344E156-K346 VanDerWaalsContact CD-NZ 3.27Å; E156-K346 IonicContact OE1-NZ 2.78Å; E156-K346 PolarHBondContact OE1-NZ 3.22Å; S190-K346 PolarHBondContact O-N 3.01Å; T191-K346 CarbonylContact C-O 3.56Å; T191-K346 WeakPolarHBondContact CA-O 3.15Å; T191-K346 HydrophobicContact CG2-CB 4.26Å; M192-K346 PolarHBondContact N-O 3.35Å; N305-K346 WeakPolarHBondContact O-CA 3.33Å; Q306-K346 HydrophobicContact CB-CG 4.16Å; Q306-K346 HydrophobicContact CG-CG 3.99Å; Q306-K346 VanDerWaalsContact OE1-CE 3.27Å; I344-K346 HydrophobicContact CG2-CG 4.36Å
347A85.5Confident79.5Confident2 Ų232.9 Ų32.92%0.01718%0.18CC..EExtended strand (participates in β ladder)trans-129.5138.2177.200000110.1V51 M192 Q304 N305 F395V51-A347 HydrophobicContact CG1-CB 3.89Å; V51-A347 VanDerWaalsContact CG1-O 3.27Å; V51-A347 WeakPolarHBondContact CG1-O 3.32Å; V51-A347 HydrophobicContact CG2-CB 4.12Å; M192-A347 CarbonylContact O-C 3.52Å; M192-A347 VanDerWaalsContact O-CA 3.28Å; M192-A347 WeakPolarHBondContact O-CA 3.48Å; Q304-A347 CarbonylContact C-O 3.57Å; Q304-A347 VanDerWaalsContact CA-O 3.27Å; Q304-A347 WeakPolarHBondContact CA-O 3.37Å; N305-A347 PolarHBondContact N-O 3.21Å; N305-A347 PolarHBondContact O-N 2.89Å; A347-F395 HydrophobicContact CB-CE1 4.2Å
348K84.1Confident76.9Confident26 Ų2635.6 Ų35.611%0.11320%0.199CC..EExtended strand (participates in β ladder)trans-134.8131.2174.6179.4-174.7169.4-1670109.3M192 S193 F194 I303 Q304M192-K348 PolarHBondContact O-N 3.4Å; S193-K348 WeakPolarHBondContact CA-O 3.42Å; F194-K348 PolarHBondContact N-O 2.92Å; I303-K348 WeakPolarHBondContact O-CA 3.17Å; Q304-K348 HydrophobicContact CB-CB 4.45Å; Q304-K348 HydrophobicContact CB-CG 4.46Å; Q304-K348 HydrophobicContact CG-CB 4.28Å
349I83.3Confident74.4Confident0 Ų040.8 Ų40.80%024%0.236CC..EExtended strand (participates in β ladder)trans-132.8140.9172-169.3173.4000110.2V51 F194 F301 R302 I303 V351 Y383 L385V51-I349 HydrophobicContact CB-CG2 4.09Å; V51-I349 HydrophobicContact CG2-CB 4.05Å; V51-I349 HydrophobicContact CG2-CG2 3.6Å; F194-I349 HydrophobicContact CD1-CD1 4.37Å; F194-I349 HydrophobicContact CD1-CG1 4.12Å; F301-I349 HydrophobicContact CE2-CG2 4.18Å; R302-I349 WeakPolarHBondContact CA-O 3.47Å; I303-I349 HydrophobicContact CB-CG2 4.24Å; I303-I349 PolarHBondContact N-O 2.9Å; I303-I349 PolarHBondContact O-N 3.26Å; I349-V351 HydrophobicContact CD1-CG2 4.27Å; I349-V351 HydrophobicContact CG1-CG2 4.23Å; I349-Y383 HydrophobicContact CD1-CD2 4.32Å; I349-Y383 HydrophobicContact CD1-CE2 3.59Å; I349-L385 HydrophobicContact CD1-CD1 3.68Å; I349-L385 HydrophobicContact CD1-CG 4.41Å
350E83.4Confident71.4Confident15 Ų1542.2 Ų42.27%0.0726%0.259CS..EExtended strand (participates in β ladder)trans-131.3124177.2-179.7148.8-145.500110.7F194 R302 L352F194-E350 PolarHBondContact O-N 3.46Å; R302-E350 HydrophobicContact CB-CG 4.5Å; R302-E350 HydrophobicContact CG-CB 4.39Å; R302-E350 IonicContact NE-OE2 2.81Å; R302-E350 IonicContact NH1-OE1 3.3Å; R302-E350 IonicContact NH1-OE2 2.64Å; E350-L352 HydrophobicContact CG-CD1 3.64Å; E350-L352 HydrophobicContact CG-CD2 3.94Å; E350-L352 HydrophobicContact CG-CG 3.53Å; E350-L352 WeakPolarHBondContact OE1-CD1 3.47Å
351V85.2Confident68.6Low1 Ų146.7 Ų46.71%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-121.3101.2-176.6-178.50000108.5W198 M225 L298 R300 F301 I349W198-V351 HydrophobicContact CH2-CG1 4.24Å; W198-V351 HydrophobicContact CZ2-CG1 3.73Å; M225-V351 HydrophobicContact CE-CG1 3.97Å; L298-V351 HydrophobicContact CD2-CG1 3.92Å; R300-V351 WeakPolarHBondContact CG-O 3.39Å; F301-V351 HydrophobicContact CD1-CB 4.11Å; F301-V351 HydrophobicContact CD1-CG1 4.47Å; F301-V351 HydrophobicContact CD1-CG2 4.48Å; F301-V351 HydrophobicContact CD2-CB 4.43Å; F301-V351 HydrophobicContact CD2-CG2 4.27Å; F301-V351 HydrophobicContact CE1-CB 3.86Å; F301-V351 HydrophobicContact CE1-CG1 4.03Å; F301-V351 HydrophobicContact CE1-CG2 3.86Å; F301-V351 HydrophobicContact CE2-CB 4.21Å; F301-V351 HydrophobicContact CE2-CG2 3.63Å; F301-V351 HydrophobicContact CG-CB 4.39Å; F301-V351 HydrophobicContact CZ-CB 3.93Å; F301-V351 HydrophobicContact CZ-CG1 4.39Å; F301-V351 HydrophobicContact CZ-CG2 3.4Å; F301-V351 VanDerWaalsContact CZ-CG2 3.4Å; F301-V351 PolarHBondContact N-O 2.91Å; F301-V351 PolarHBondContact O-N 3.1Å; I349-V351 HydrophobicContact CD1-CG2 4.27Å; I349-V351 HydrophobicContact CG1-CG2 4.23Å
352L86.3Confident66Low24 Ų2451 Ų5113%0.12632%0.322CS..  trans-126.4179.1-174.4-53.5177.8000111.5W198 R300 E350 E354 F413W198-L352 PolarHBondContact NE1-O 3.42Å; R300-L352 HydrophobicContact CG-CD2 3.69Å; E350-L352 HydrophobicContact CG-CD1 3.64Å; E350-L352 HydrophobicContact CG-CD2 3.94Å; E350-L352 HydrophobicContact CG-CG 3.53Å; E350-L352 WeakPolarHBondContact OE1-CD1 3.47Å; L352-E354 HydrophobicContact CB-CG 4.09Å; L352-E354 HydrophobicContact CD1-CG 4.43Å; L352-F413 HydrophobicContact CD2-CD1 4.45Å; L352-F413 HydrophobicContact CD2-CE1 3.72Å
353E84.8Confident63.4Low15 Ų1553.3 Ų53.37%0.0735%0.35CS..  trans-72.2-34.4178-69.288.5159.300114.4F202 T207 M225 R300 G355F202-E353 HydrophobicContact CB-CB 4.21Å; F202-E353 HydrophobicContact CB-CG 3.94Å; T207-E353 WeakPolarHBondContact CB-OE1 3.44Å; T207-E353 WeakPolarHBondContact CG2-OE1 3.33Å; T207-E353 PolarHBondContact OG1-OE1 3.4Å; M225-E353 HydrophobicContact CG-CG 3.99Å; M225-E353 HydrophobicContact SD-CB 4.46Å; M225-E353 HydrophobicContact SD-CG 3.69Å; R300-E353 IonicContact CZ-OE1 3.01Å; R300-E353 IonicContact CZ-OE2 3.92Å; R300-E353 VanDerWaalsContact CZ-OE2 3.3Å; R300-E353 IonicContact NE-OE1 2.89Å; R300-E353 PolarHBondContact NE-OE1 3.38Å; R300-E353 IonicContact NE-OE2 3.52Å; R300-E353 PolarHBondContact NE-OE2 3.17Å; R300-E353 IonicContact NH2-OE1 2.96Å; R300-E353 PolarHBondContact NH2-OE1 2.92Å; R300-E353 IonicContact NH2-OE2 3.18Å; R300-E353 PolarHBondContact NH2-OE2 3.3Å; E353-G355 PolarHBondContact O-N 2.88Å
354E67.3Low60.7Low79 Ų7959.6 Ų59.637%0.36938%0.382SS..  trans23.974.5179.8-74.6-79.8171.900115.6Q195 R201 L352Q195-E354 PolarHBondContact NE2-OE1 3.35Å; R201-E354 WeakPolarHBondContact CD-O 3.34Å; R201-E354 VanDerWaalsContact CG-O 3.27Å; R201-E354 WeakPolarHBondContact CG-O 3.48Å; R201-E354 PolarHBondContact NE-O 2.84Å; L352-E354 HydrophobicContact CB-CG 4.09Å; L352-E354 HydrophobicContact CD1-CG 4.43Å
355G46.1Very low57.9Low36 Ų3665.3 Ų65.337%0.37141%0.412SS..SBendtrans156.6178.2134.500000116.2R201 E353R201-G355 VanDerWaalsContact CD-CA 3.42Å; E353-G355 PolarHBondContact O-N 2.88Å
356T30.3Very low55.5Low125 Ų12573.7 Ų73.777%0.76746%0.456SS*.SBendtrans-82.5135.7-165-44.30000113.8A358T356-A358 PolarHBondContact O-N 2.99Å
357K34.6Very low53.3Low189 Ų18980.1 Ų80.182%0.82249%0.491SS*.  trans9.686.1168.5-94.6-177.7174.7176.80115.4S359K357-S359 PolarHBondContact O-N 2.83Å; K357-S359 VanDerWaalsContact O-N 3.07Å
358A31Very low51.1Low94 Ų9489.5 Ų89.578%0.77753%0.531SS*.  trans-76.383.8149.100000107.7T356 G360T356-A358 PolarHBondContact O-N 2.99Å; A358-G360 PolarHBondContact O-N 2.74Å
359S36.8Very low49.3Very low110 Ų110100.9 Ų100.977%0.76957%0.573SS**  trans-70.783.9164.6-176.80000108K357K357-S359 PolarHBondContact O-N 2.83Å; K357-S359 VanDerWaalsContact O-N 3.07Å
360G31.6Very low48Very low58 Ų58105.6 Ų105.660%0.59861%0.606SS**  trans-112.553.5176.300000110.8A358 T362A358-G360 PolarHBondContact O-N 2.74Å; G360-T362 PolarHBondContact O-N 2.73Å
361A33.6Very low47.5Very low95 Ų95116.7 Ų116.779%0.78565%0.647SS**  trans-60.884.5166.300000108.7A363A361-A363 PolarHBondContact O-N 2.78Å; A361-A363 VanDerWaalsContact O-N 3.13Å
362T35.1Very low47.3Very low99 Ų99119.3 Ų119.361%0.60766%0.661SS**  trans-86.679.3167.7-43.90000106.5G360 L364G360-T362 PolarHBondContact O-N 2.73Å; T362-L364 HydrophobicContact CG2-CB 4.15Å; T362-L364 HydrophobicContact CG2-CD1 3.65Å; T362-L364 HydrophobicContact CG2-CG 4.06Å; T362-L364 PolarHBondContact O-N 3.01Å
363A33.7Very low47.5Very low98 Ų98121.9 Ų121.981%0.8168%0.679SS**  trans-63.186.7158.500000107.8A361A361-A363 PolarHBondContact O-N 2.78Å; A361-A363 VanDerWaalsContact O-N 3.13Å
364L32.4Very low47.9Very low135 Ų135124.4 Ų124.471%0.70770%0.696SS**  trans-121.289.8166.2-93.6165.5000108.2T362T362-L364 HydrophobicContact CG2-CB 4.15Å; T362-L364 HydrophobicContact CG2-CD1 3.65Å; T362-L364 HydrophobicContact CG2-CG 4.06Å; T362-L364 PolarHBondContact O-N 3.01Å
365L32.5Very low49.2Very low148 Ų148121 Ų12178%0.77568%0.68SS**  trans41.6103.6138.4-68.6163.6000115.8L367L365-L367 VanDerWaalsContact C-N 3.35Å; L365-L367 PolarHBondContact O-N 2.9Å
366L40.8Very low51.5Low177 Ų177122 Ų12293%0.92767%0.674SS**  trans-32.288.1152.6-69.4158.3000112.9
367L40Very low54.5Low157 Ų157116.1 Ų116.182%0.82264%0.637SS**  trans-138.9109.6161.1-74.5175.8000110L365L365-L367 VanDerWaalsContact C-N 3.35Å; L365-L367 PolarHBondContact O-N 2.9Å
368K39.3Very low57.2Low198 Ų198108.1 Ų108.186%0.86160%0.604SS**  trans72.8112.5169.4-66.6-177.1176.4179.70117.4S370K368-S370 PolarHBondContact O-N 3.1Å
369R47.3Very low60.1Low265 Ų265105.4 Ų105.4100%157%0.573SS**  trans-54.291.9169.9-69.9173.4174.1162.7-2.7111.4
370S56.1Low62.7Low99 Ų99100.9 Ų100.969%0.69254%0.541SS*.  trans-122120.8151.46.10000105.3K368 I372K368-S370 PolarHBondContact O-N 3.1Å; S370-I372 PolarHBondContact O-N 3.12Å
371R72.8Confident65.5Low248 Ų24898.1 Ų98.194%0.93651%0.513SS*.PPolyproline II helixtrans-59.3127.2174.3-72.1-178.8178.4174.8-0.7107.4
372I81.7Confident68.3Low57 Ų5793.6 Ų93.629%0.29248%0.476SS..PPolyproline II helixtrans-60.9130.3175.9-56.9-161.4000107.4M228 S370M228-I372 HydrophobicContact CE-CD1 3.51Å; M228-I372 HydrophobicContact SD-CD1 3.79Å; S370-I372 PolarHBondContact O-N 3.12Å
373P90.2Very high71Confident77 Ų7788.9 Ų88.950%0.545%0.447SS..PPolyproline II helixtrans-58.4139.9178.2-24.834.4000111.4M294 D295M294-P373 VanDerWaalsContact CA-O 3.25Å; M294-P373 WeakPolarHBondContact CA-O 3.39Å; M294-P373 WeakPolarHBondContact CB-O 3.33Å; M294-P373 HydrophobicContact CE-CB 4.01Å; M294-P373 HydrophobicContact CG-CB 4.39Å; D295-P373 PolarHBondContact N-O 3.1Å
374T92.8Very high73.7Confident69 Ų6984.2 Ų84.242%0.42341%0.408SS..EExtended strand (participates in β ladder)trans-110133.7-179-49.90000110.7D295 F297 K376D295-T374 HydrophobicContact CB-CG2 4.19Å; D295-T374 CarbonylContact O-C 3.54Å; D295-T374 WeakPolarHBondContact O-CA 3.23Å; F297-T374 HydrophobicContact CD2-CG2 3.72Å; F297-T374 HydrophobicContact CE2-CG2 3.69Å; T374-K376 HydrophobicContact CG2-CB 4.29Å
375F94.9Very high76.4Confident7 Ų777.8 Ų77.83%0.03137%0.374CS..EExtended strand (participates in β ladder)trans-108.9120.5163.2-173.4-85.1000108.4Y233 L247 L260 V262 M294 D295 V296 F297Y233-F375 AromaticContact CD2-CD2 3.95Å; Y233-F375 HydrophobicContact CD2-CD2 3.95Å; Y233-F375 HydrophobicContact CD2-CE2 4.37Å; Y233-F375 AromaticContact CE2-CD2 3.58Å; Y233-F375 HydrophobicContact CE2-CD2 3.58Å; Y233-F375 AromaticContact CE2-CE2 3.96Å; Y233-F375 HydrophobicContact CE2-CE2 3.96Å; L247-F375 HydrophobicContact CB-CD1 4.17Å; L247-F375 HydrophobicContact CB-CD2 3.85Å; L247-F375 HydrophobicContact CB-CE1 3.91Å; L247-F375 HydrophobicContact CB-CE2 3.56Å; L247-F375 HydrophobicContact CB-CG 4.12Å; L247-F375 HydrophobicContact CB-CZ 3.58Å; L247-F375 HydrophobicContact CD2-CB 4.23Å; L247-F375 HydrophobicContact CD2-CD1 3.39Å; L247-F375 HydrophobicContact CD2-CD2 4.33Å; L247-F375 HydrophobicContact CD2-CE1 3.71Å; L247-F375 HydrophobicContact CD2-CG 3.73Å; L247-F375 HydrophobicContact CD2-CZ 4.29Å; L247-F375 HydrophobicContact CG-CD1 4.36Å; L247-F375 HydrophobicContact CG-CE1 4.44Å; L247-F375 HydrophobicContact CG-CG 4.4Å; L260-F375 HydrophobicContact CB-CE1 3.99Å; L260-F375 HydrophobicContact CB-CZ 3.82Å; L260-F375 HydrophobicContact CD1-CE1 3.98Å; V262-F375 HydrophobicContact CB-CZ 4.23Å; V262-F375 HydrophobicContact CG2-CE1 4Å; V262-F375 HydrophobicContact CG2-CE2 4.25Å; V262-F375 HydrophobicContact CG2-CZ 3.49Å; V262-F375 VanDerWaalsContact CG2-CZ 3.49Å; M294-F375 HydrophobicContact CE-CB 3.9Å; D295-F375 PolarHBondContact O-N 3.19Å; V296-F375 WeakPolarHBondContact CA-O 3.5Å; F297-F375 PolarHBondContact N-O 3.11Å
376K93.8Very high78.9Confident58 Ų5872 Ų7225%0.25234%0.342SS..EExtended strand (participates in β ladder)trans-133.3116.5-176-176.4168.9-172.2-121.40110.7F297 T374 D378F297-K376 HydrophobicContact CB-CB 4.15Å; F297-K376 HydrophobicContact CB-CD 4.47Å; F297-K376 HydrophobicContact CB-CG 3.81Å; F297-K376 HydrophobicContact CD2-CB 4.32Å; F297-K376 HydrophobicContact CD2-CD 4.49Å; F297-K376 HydrophobicContact CD2-CG 4.42Å; F297-K376 HydrophobicContact CG-CD 4.46Å; F297-K376 HydrophobicContact CG-CG 4.28Å; T374-K376 HydrophobicContact CG2-CB 4.29Å; K376-D378 VanDerWaalsContact C-N 3.28Å; K376-D378 HydrophobicContact CD-CB 4.04Å; K376-D378 VanDerWaalsContact CD-OD2 3.27Å; K376-D378 WeakPolarHBondContact CD-OD2 3.38Å; K376-D378 WeakPolarHBondContact CE-OD2 3.36Å; K376-D378 HydrophobicContact CG-CB 3.69Å; K376-D378 IonicContact NZ-OD2 3.34Å; K376-D378 PolarHBondContact NZ-OD2 3.34Å; K376-D378 PolarHBondContact O-N 3.31Å
377A93.8Very high80.8Confident0 Ų064 Ų640%030%0.3CS..  trans-88.163.2174.600000110.4F212 F297 L298 P299 F381F212-A377 WeakPolarHBondContact CE2-O 3.35Å; F297-A377 PolarHBondContact O-N 2.96Å; L298-A377 HydrophobicContact CD1-CB 4.43Å; P299-A377 WeakPolarHBondContact CD-O 3.44Å; A377-F381 HydrophobicContact CB-CD1 3.87Å; A377-F381 HydrophobicContact CB-CE1 3.88Å; A377-F381 HydrophobicContact CB-CG 4.37Å; A377-F381 HydrophobicContact CB-CZ 4.38Å
378D92.2Very high82.4Confident21 Ų2159.6 Ų59.611%0.11228%0.281CS..  trans-103.220.6-178.264-6.3000114.2F212 T213 M224 K376F212-D378 CarbonylContact C-O 3.5Å; F212-D378 WeakPolarHBondContact CA-O 3.42Å; T213-D378 PolarHBondContact N-O 2.91Å; M224-D378 HydrophobicContact CE-CB 4.31Å; K376-D378 VanDerWaalsContact C-N 3.28Å; K376-D378 HydrophobicContact CD-CB 4.04Å; K376-D378 VanDerWaalsContact CD-OD2 3.27Å; K376-D378 WeakPolarHBondContact CD-OD2 3.38Å; K376-D378 WeakPolarHBondContact CE-OD2 3.36Å; K376-D378 HydrophobicContact CG-CB 3.69Å; K376-D378 IonicContact NZ-OD2 3.34Å; K376-D378 PolarHBondContact NZ-OD2 3.34Å; K376-D378 PolarHBondContact O-N 3.31Å
379R90.6Very high83.8Confident38 Ų3855.6 Ų55.614%0.14327%0.269CS..SBendtrans-157.5167.5179.559.5-178.5171.4-87.911.5109.2F212 T213 V262 P263 R264 F381F212-R379 WeakPolarHBondContact CZ-O 3.45Å; T213-R379 WeakPolarHBondContact O-CA 3.37Å; V262-R379 HydrophobicContact CG1-CG 4.21Å; P263-R379 PolarHBondContact O-NE 2.94Å; P263-R379 PolarHBondContact O-NH2 3.06Å; R264-R379 PolarHBondContact O-NH2 2.95Å; R264-R379 VanDerWaalsContact O-NH2 3.15Å; R379-F381 WeakPolarHBondContact O-CD1 3.41Å; R379-F381 PolarHBondContact O-N 2.78Å
380P91.1Very high84.8Confident14 Ų1443.3 Ų43.39%0.09122%0.223CC..  trans-49.6133-178.1-29.832.5000113.3T213 A215 L270 I399 Q400T213-P380 WeakPolarHBondContact O-CD 3.44Å; A215-P380 HydrophobicContact CB-CG 3.96Å; L270-P380 HydrophobicContact CB-CB 3.96Å; L270-P380 HydrophobicContact CD2-CB 3.96Å; P380-I399 CarbonylContact C-O 3.59Å; P380-I399 WeakPolarHBondContact CA-O 3.34Å; P380-Q400 HydrophobicContact CB-CB 4.38Å; P380-Q400 HydrophobicContact CB-CG 4.21Å; P380-Q400 HydrophobicContact CG-CG 4.06Å
381F91.5Very high85.2Confident0 Ų038.9 Ų38.90%019%0.193CC..EExtended strand (participates in β ladder)trans-142.7152.3-176.665.6-92.2000111.3F212 L260 V261 V262 L298 P299 F301 A377 R379 Y383 R398 I399F212-F381 HydrophobicContact CE2-CD1 4.35Å; F212-F381 HydrophobicContact CE2-CE1 4.19Å; L260-F381 HydrophobicContact CD2-CD2 3.76Å; L260-F381 HydrophobicContact CD2-CE2 3.5Å; L260-F381 VanDerWaalsContact CD2-CE2 3.5Å; L260-F381 HydrophobicContact CD2-CZ 4.46Å; V261-F381 WeakPolarHBondContact O-CA 3.46Å; V261-F381 WeakPolarHBondContact O-CB 3.01Å; V262-F381 HydrophobicContact CG2-CB 3.74Å; L298-F381 HydrophobicContact CD1-CZ 4.25Å; P299-F381 HydrophobicContact CG-CE1 3.72Å; P299-F381 HydrophobicContact CG-CZ 3.92Å; F301-F381 HydrophobicContact CE1-CZ 4.2Å; A377-F381 HydrophobicContact CB-CD1 3.87Å; A377-F381 HydrophobicContact CB-CE1 3.88Å; A377-F381 HydrophobicContact CB-CG 4.37Å; A377-F381 HydrophobicContact CB-CZ 4.38Å; R379-F381 WeakPolarHBondContact O-CD1 3.41Å; R379-F381 PolarHBondContact O-N 2.78Å; F381-Y383 HydrophobicContact CE2-CD1 4.2Å; F381-R398 WeakPolarHBondContact O-CA 3.21Å; F381-I399 HydrophobicContact CD1-CB 4.03Å; F381-I399 HydrophobicContact CD1-CG2 4.43Å; F381-I399 HydrophobicContact CD2-CB 4.44Å; F381-I399 HydrophobicContact CD2-CG1 4.48Å; F381-I399 HydrophobicContact CE1-CB 3.6Å; F381-I399 HydrophobicContact CE1-CG1 3.97Å; F381-I399 HydrophobicContact CE1-CG2 3.79Å; F381-I399 HydrophobicContact CE2-CB 4.04Å; F381-I399 HydrophobicContact CE2-CG1 3.71Å; F381-I399 HydrophobicContact CG-CB 4.44Å; F381-I399 HydrophobicContact CZ-CB 3.62Å; F381-I399 HydrophobicContact CZ-CG1 3.42Å; F381-I399 VanDerWaalsContact CZ-CG1 3.42Å; F381-I399 HydrophobicContact CZ-CG2 4.11Å; F381-I399 PolarHBondContact N-O 3.08Å; F381-I399 PolarHBondContact O-N 3.2Å
382I91.7Very high85.2Confident1 Ų127.1 Ų27.11%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-88.6141.6169.1-67.7145.1000108V261 L270 E274 L277 F384 F396 D397V261-I382 HydrophobicContact CB-CB 4.16Å; V261-I382 PolarHBondContact N-O 3.18Å; V261-I382 PolarHBondContact O-N 2.88Å; L270-I382 HydrophobicContact CD1-CD1 3.77Å; L270-I382 HydrophobicContact CD1-CG1 3.96Å; L270-I382 HydrophobicContact CD2-CG1 4.16Å; L270-I382 HydrophobicContact CG-CD1 4.4Å; L270-I382 HydrophobicContact CG-CG1 4.36Å; E274-I382 HydrophobicContact CG-CD1 4.09Å; L277-I382 HydrophobicContact CD1-CD1 3.57Å; L277-I382 HydrophobicContact CD2-CD1 4.48Å; I382-F384 HydrophobicContact CG2-CD1 4.39Å; I382-F396 HydrophobicContact CG2-CE1 3.91Å; I382-F396 HydrophobicContact CG2-CZ 3.95Å; I382-D397 CarbonylContact C-O 3.58Å; I382-D397 WeakPolarHBondContact CA-O 3.27Å; I382-D397 WeakPolarHBondContact CG2-O 3.45Å
383Y91.5Very high84.7Confident0 Ų024.6 Ų24.60%014%0.136CC..EExtended strand (participates in β ladder)trans-130.4151166.673.8-89.2000110.6L258 F259 F301 I349 F381 D397 I399L258-Y383 HydrophobicContact CD1-CD2 3.83Å; L258-Y383 HydrophobicContact CD1-CG 4.32Å; F259-Y383 WeakPolarHBondContact O-CA 3.28Å; F301-Y383 HydrophobicContact CE2-CE1 4.14Å; F301-Y383 HydrophobicContact CZ-CD1 4.28Å; F301-Y383 HydrophobicContact CZ-CE1 4.15Å; I349-Y383 HydrophobicContact CD1-CD2 4.32Å; I349-Y383 HydrophobicContact CD1-CE2 3.59Å; F381-Y383 HydrophobicContact CE2-CD1 4.2Å; Y383-D397 HydrophobicContact CD1-CB 4.1Å; Y383-D397 HydrophobicContact CD2-CB 4.33Å; Y383-D397 HydrophobicContact CE1-CB 3.47Å; Y383-D397 VanDerWaalsContact CE1-CB 3.47Å; Y383-D397 HydrophobicContact CE2-CB 3.7Å; Y383-D397 PolarHBondContact N-O 3.35Å; Y383-D397 PolarHBondContact O-N 2.98Å; Y383-D397 VanDerWaalsContact OH-CB 3.23Å; Y383-D397 WeakPolarHBondContact OH-CB 3.15Å; Y383-D397 PolarHBondContact OH-OD2 3.45Å; Y383-I399 HydrophobicContact CD1-CD1 4.28Å; Y383-I399 HydrophobicContact CD1-CG1 3.81Å; Y383-I399 HydrophobicContact CE1-CD1 3.72Å; Y383-I399 HydrophobicContact CE1-CG1 3.78Å
384F91.3Very high83.5Confident0 Ų021 Ų210%011%0.112CC..EExtended strand (participates in β ladder)trans-148.2146.3172.559.1-90.2000110.5F259 V261 I282 T286 I382 R386 T393 F395 F396F259-F384 HydrophobicContact CB-CD1 3.91Å; F259-F384 HydrophobicContact CB-CD2 3.78Å; F259-F384 HydrophobicContact CB-CE1 3.53Å; F259-F384 HydrophobicContact CB-CE2 3.39Å; F259-F384 HydrophobicContact CB-CG 4.02Å; F259-F384 HydrophobicContact CB-CZ 3.26Å; F259-F384 HydrophobicContact CD1-CE2 4.11Å; F259-F384 AromaticContact CD1-CZ 3.98Å; F259-F384 HydrophobicContact CD1-CZ 3.98Å; F259-F384 AromaticContact CD2-CD2 4Å; F259-F384 HydrophobicContact CD2-CD2 4Å; F259-F384 AromaticContact CD2-CE2 3.56Å; F259-F384 HydrophobicContact CD2-CE2 3.56Å; F259-F384 HydrophobicContact CD2-CZ 4.2Å; F259-F384 HydrophobicContact CE2-CE2 4.39Å; F259-F384 HydrophobicContact CG-CD2 4.08Å; F259-F384 HydrophobicContact CG-CE1 4.33Å; F259-F384 AromaticContact CG-CE2 3.4Å; F259-F384 HydrophobicContact CG-CE2 3.4Å; F259-F384 VanDerWaalsContact CG-CE2 3.4Å; F259-F384 AromaticContact CG-CZ 3.55Å; F259-F384 HydrophobicContact CG-CZ 3.55Å; F259-F384 PolarHBondContact N-O 3.41Å; F259-F384 PolarHBondContact O-N 2.94Å; V261-F384 HydrophobicContact CG2-CE1 3.85Å; I282-F384 HydrophobicContact CD1-CE1 4.24Å; I282-F384 HydrophobicContact CG2-CE2 4.12Å; I282-F384 HydrophobicContact CG2-CZ 3.95Å; T286-F384 HydrophobicContact CG2-CE2 3.78Å; T286-F384 HydrophobicContact CG2-CZ 3.72Å; I382-F384 HydrophobicContact CG2-CD1 4.39Å; F384-R386 HydrophobicContact CD2-CB 4.39Å; F384-T393 HydrophobicContact CB-CG2 4.13Å; F384-F395 CarbonylContact C-O 3.59Å; F384-F395 WeakPolarHBondContact CA-O 3.2Å; F384-F395 WeakPolarHBondContact CB-O 3.39Å; F384-F396 HydrophobicContact CB-CB 4.24Å; F384-F396 HydrophobicContact CB-CD2 3.51Å; F384-F396 HydrophobicContact CB-CE2 4.1Å; F384-F396 HydrophobicContact CB-CG 4.07Å; F384-F396 HydrophobicContact CD1-CD2 4.1Å; F384-F396 AromaticContact CD1-CE2 3.79Å; F384-F396 HydrophobicContact CD1-CE2 3.79Å; F384-F396 HydrophobicContact CD1-CZ 4.49Å; F384-F396 HydrophobicContact CE1-CE2 4.39Å; F384-F396 AromaticContact CG-CD2 3.87Å; F384-F396 HydrophobicContact CG-CD2 3.87Å; F384-F396 HydrophobicContact CG-CE2 4.01Å
385L88.2Confident81.8Confident0 Ų017.7 Ų17.70%09%0.092CC..EExtended strand (participates in β ladder)trans-99.2127.3175.5-71.3169.2000108.4F194 Y251 V256 S257 L258 I349 T393 V394 F395F194-L385 HydrophobicContact CB-CD1 4.18Å; F194-L385 HydrophobicContact CD1-CD1 3.4Å; F194-L385 HydrophobicContact CD1-CD2 4.46Å; F194-L385 HydrophobicContact CD2-CD1 4.02Å; F194-L385 HydrophobicContact CE1-CD1 3.67Å; F194-L385 HydrophobicContact CE1-CD2 3.89Å; F194-L385 HydrophobicContact CE1-CG 4.48Å; F194-L385 HydrophobicContact CE2-CD1 4.26Å; F194-L385 HydrophobicContact CG-CD1 3.58Å; F194-L385 HydrophobicContact CZ-CD1 4.09Å; F194-L385 HydrophobicContact CZ-CD2 4.01Å; Y251-L385 HydrophobicContact CD2-CD2 4.44Å; Y251-L385 HydrophobicContact CE2-CD2 3.62Å; V256-L385 HydrophobicContact CG1-CB 3.83Å; V256-L385 HydrophobicContact CG1-CD2 3.72Å; V256-L385 HydrophobicContact CG1-CG 4.3Å; S257-L385 WeakPolarHBondContact O-CA 3.4Å; L258-L385 HydrophobicContact CB-CD2 4Å; L258-L385 HydrophobicContact CD1-CD2 3.71Å; L258-L385 HydrophobicContact CD1-CG 4.14Å; L258-L385 HydrophobicContact CG-CD2 4.5Å; I349-L385 HydrophobicContact CD1-CD1 3.68Å; I349-L385 HydrophobicContact CD1-CG 4.41Å; L385-T393 CarbonylContact O-C 3.58Å; L385-T393 WeakPolarHBondContact O-CA 3.36Å; L385-V394 HydrophobicContact CB-CB 4.46Å; L385-V394 PolarHBondContact O-N 2.92Å; L385-F395 HydrophobicContact CB-CB 4.09Å; L385-F395 HydrophobicContact CB-CD2 4.19Å; L385-F395 HydrophobicContact CD1-CB 4.11Å; L385-F395 HydrophobicContact CD1-CD2 3.44Å; L385-F395 VanDerWaalsContact CD1-CD2 3.44Å; L385-F395 HydrophobicContact CD1-CE2 4.04Å; L385-F395 HydrophobicContact CD1-CG 3.98Å; L385-F395 HydrophobicContact CG-CB 4.29Å; L385-F395 HydrophobicContact CG-CD2 4.34Å; L385-F395 PolarHBondContact N-O 2.89Å
386R85.6Confident80.7Confident27 Ų2717.3 Ų17.310%0.1029%0.091CC..EExtended strand (participates in β ladder)trans-126.7131.5-179.4-165.4-177.8-172.9-160.71.6110.8V256 S257 F259 T286 F384 G391 I392V256-R386 WeakPolarHBondContact CA-O 3.5Å; S257-R386 PolarHBondContact N-O 2.98Å; S257-R386 PolarHBondContact O-N 3.31Å; F259-R386 HydrophobicContact CD2-CB 3.99Å; F259-R386 HydrophobicContact CE2-CB 3.74Å; T286-R386 PolarHBondContact OG1-NH1 3.49Å; F384-R386 HydrophobicContact CD2-CB 4.39Å; R386-G391 PolarHBondContact NE-O 2.72Å; R386-G391 PolarHBondContact NH2-O 3.31Å; R386-I392 WeakPolarHBondContact CA-O 3.21Å
387E81.1Confident79.6Confident9 Ų914.6 Ų14.64%0.0428%0.079CC..  trans-79.9118.2170.5-166.2-66.8124.200107.6A255 N389 T390 G391 I392A255-E387 WeakPolarHBondContact O-CG 3.44Å; E387-N389 PolarHBondContact O-N 2.71Å; E387-N389 WeakPolarHBondContact OE1-CB 3.09Å; E387-N389 PolarHBondContact OE1-N 2.92Å; E387-N389 PolarHBondContact OE1-ND2 3.44Å; E387-N389 PolarHBondContact OE2-N 3.39Å; E387-T390 WeakPolarHBondContact OE2-CA 3.21Å; E387-T390 WeakPolarHBondContact OE2-CB 3.25Å; E387-T390 VanDerWaalsContact OE2-CG2 3.24Å; E387-T390 WeakPolarHBondContact OE2-CG2 3.44Å; E387-T390 PolarHBondContact OE2-N 3.16Å; E387-T390 PolarHBondContact OE2-OG1 2.84Å; E387-G391 CarbonylContact O-C 3.57Å; E387-G391 WeakPolarHBondContact O-CA 3.4Å; E387-G391 PolarHBondContact O-N 3.35Å; E387-I392 PolarHBondContact N-O 3.36Å
388P72.6Confident78.7Confident63 Ų6314.9 Ų14.941%0.4098%0.08SC..THydrogen-bonded Turntrans-74.4-23.1-166.827.2-31.8000113.8S254 A255S254-P388 WeakPolarHBondContact O-CG 3.31Å; A255-P388 WeakPolarHBondContact O-CD 3.32Å
389N69.9Low77.4Confident114 Ų11413.9 Ų13.961%0.618%0.075SC*.THydrogen-bonded Turntrans-75.4-55.4-178.3-59.7-60.1000111R23 E387R23-N389 VanDerWaalsContact NH1-C 3.29Å; R23-N389 PolarHBondContact NH1-O 3.11Å; E387-N389 PolarHBondContact O-N 2.71Å; E387-N389 WeakPolarHBondContact OE1-CB 3.09Å; E387-N389 PolarHBondContact OE1-N 2.92Å; E387-N389 PolarHBondContact OE1-ND2 3.44Å; E387-N389 PolarHBondContact OE2-N 3.39Å
390T67.8Low75.5Confident7 Ų713 Ų134%0.0437%0.072CC..THydrogen-bonded Turntrans-79.6-22179.367.50000112.5T27 V96 E387 I392T27-T390 PolarHBondContact OG1-O 3.19Å; V96-T390 HydrophobicContact CG2-CG2 3.82Å; E387-T390 WeakPolarHBondContact OE2-CA 3.21Å; E387-T390 WeakPolarHBondContact OE2-CB 3.25Å; E387-T390 VanDerWaalsContact OE2-CG2 3.24Å; E387-T390 WeakPolarHBondContact OE2-CG2 3.44Å; E387-T390 PolarHBondContact OE2-N 3.16Å; E387-T390 PolarHBondContact OE2-OG1 2.84Å; T390-I392 PolarHBondContact O-N 2.76Å; T390-I392 PolarHBondContact OG1-N 2.89Å
391G64.8Low74Confident6 Ų612.5 Ų12.56%0.0627%0.069CC..  trans7610.5-177.500000113.4T27 R386 E387T27-G391 WeakPolarHBondContact CG2-O 3.31Å; R386-G391 PolarHBondContact NE-O 2.72Å; R386-G391 PolarHBondContact NH2-O 3.31Å; E387-G391 CarbonylContact O-C 3.57Å; E387-G391 WeakPolarHBondContact O-CA 3.4Å; E387-G391 PolarHBondContact O-N 3.35Å
392I72.9Confident71.6Confident2 Ų213 Ų131%0.017%0.071CC..  trans-80.5134-175.2-73175.1000111.6K30 F92 V96 R386 E387 T390 V394K30-I392 HydrophobicContact CD-CD1 3.71Å; K30-I392 HydrophobicContact CD-CG1 4.13Å; K30-I392 HydrophobicContact CD-CG2 4.4Å; F92-I392 HydrophobicContact CE1-CD1 3.8Å; F92-I392 HydrophobicContact CZ-CD1 3.87Å; F92-I392 HydrophobicContact CZ-CG1 4.33Å; V96-I392 HydrophobicContact CB-CD1 3.76Å; V96-I392 HydrophobicContact CG1-CD1 3.27Å; V96-I392 HydrophobicContact CG2-CD1 3.12Å; V96-I392 HydrophobicContact CG2-CG1 4.41Å; R386-I392 WeakPolarHBondContact CA-O 3.21Å; E387-I392 PolarHBondContact N-O 3.36Å; T390-I392 PolarHBondContact O-N 2.76Å; T390-I392 PolarHBondContact OG1-N 2.89Å; I392-V394 PolarHBondContact O-N 3.42Å
393T71.7Confident68.8Low3 Ų320.7 Ų20.72%0.01810%0.101CC..EExtended strand (participates in β ladder)trans-80.4113.1171.9-58.60000109.5A34 F384 L385 F395 F396A34-T393 HydrophobicContact CB-CG2 4.37Å; F384-T393 HydrophobicContact CB-CG2 4.13Å; L385-T393 CarbonylContact O-C 3.58Å; L385-T393 WeakPolarHBondContact O-CA 3.36Å; T393-F395 VanDerWaalsContact CG2-O 3.24Å; T393-F395 WeakPolarHBondContact CG2-O 3.23Å; T393-F396 HydrophobicContact CG2-CB 3.83Å; T393-F396 HydrophobicContact CG2-CD2 3.82Å; T393-F396 HydrophobicContact CG2-CG 4.32Å
394V63.3Low66Low1 Ų126.3 Ų26.31%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-88-36.4-177.4-174.80000111.4S53 A55 M109 M192 L385 I392S53-V394 WeakPolarHBondContact CA-O 3.36Å; S53-V394 WeakPolarHBondContact CB-O 3.5Å; S53-V394 PolarHBondContact OG-O 3.26Å; A55-V394 HydrophobicContact CB-CG1 4.44Å; M109-V394 HydrophobicContact CE-CB 4.26Å; M109-V394 HydrophobicContact CE-CG1 3.46Å; M109-V394 VanDerWaalsContact CE-CG1 3.46Å; M109-V394 HydrophobicContact CE-CG2 3.82Å; M109-V394 HydrophobicContact SD-CB 4.48Å; M109-V394 HydrophobicContact SD-CG1 3.71Å; M109-V394 HydrophobicContact SD-CG2 4.39Å; M192-V394 HydrophobicContact CE-CG1 3.45Å; M192-V394 VanDerWaalsContact CE-CG1 3.45Å; M192-V394 HydrophobicContact SD-CG1 4.28Å; L385-V394 HydrophobicContact CB-CB 4.46Å; L385-V394 PolarHBondContact O-N 2.92Å; I392-V394 PolarHBondContact O-N 3.42Å
395F58.2Low63.4Low0 Ų026.9 Ų26.90%013%0.131CC..EExtended strand (participates in β ladder)trans-133144.1173.7-73.6-96.6000109V51 M192 F194 A347 F384 L385 T393V51-F395 HydrophobicContact CG2-CD1 3.58Å; V51-F395 HydrophobicContact CG2-CE1 3.69Å; M192-F395 HydrophobicContact CB-CZ 4.11Å; M192-F395 HydrophobicContact CE-CE2 3.71Å; M192-F395 HydrophobicContact CE-CZ 4.25Å; M192-F395 HydrophobicContact CG-CE1 3.96Å; M192-F395 HydrophobicContact CG-CE2 3.56Å; M192-F395 HydrophobicContact CG-CZ 3.21Å; M192-F395 HydrophobicContact SD-CE2 4.47Å; F194-F395 HydrophobicContact CB-CD2 4.45Å; F194-F395 HydrophobicContact CB-CE2 3.55Å; F194-F395 HydrophobicContact CB-CZ 3.83Å; F194-F395 HydrophobicContact CG-CE2 4.34Å; A347-F395 HydrophobicContact CB-CE1 4.2Å; F384-F395 CarbonylContact C-O 3.59Å; F384-F395 WeakPolarHBondContact CA-O 3.2Å; F384-F395 WeakPolarHBondContact CB-O 3.39Å; L385-F395 HydrophobicContact CB-CB 4.09Å; L385-F395 HydrophobicContact CB-CD2 4.19Å; L385-F395 HydrophobicContact CD1-CB 4.11Å; L385-F395 HydrophobicContact CD1-CD2 3.44Å; L385-F395 VanDerWaalsContact CD1-CD2 3.44Å; L385-F395 HydrophobicContact CD1-CE2 4.04Å; L385-F395 HydrophobicContact CD1-CG 3.98Å; L385-F395 HydrophobicContact CG-CB 4.29Å; L385-F395 HydrophobicContact CG-CD2 4.34Å; L385-F395 PolarHBondContact N-O 2.89Å; T393-F395 VanDerWaalsContact CG2-O 3.24Å; T393-F395 WeakPolarHBondContact CG2-O 3.23Å
396F71.9Confident61.1Low0 Ų030.7 Ų30.70%015%0.151CC..EExtended strand (participates in β ladder)trans-147.7109.4175.7-163.8-74.2000110.3A34 L35 Y38 P54 L277 I282 I382 F384 T393A34-F396 HydrophobicContact CB-CB 4.39Å; L35-F396 HydrophobicContact CD2-CD1 4.41Å; L35-F396 HydrophobicContact CD2-CE1 3.66Å; L35-F396 HydrophobicContact CD2-CE2 3.9Å; L35-F396 HydrophobicContact CD2-CZ 3.36Å; Y38-F396 HydrophobicContact CD1-CD1 4.12Å; Y38-F396 AromaticContact CD1-CE1 3.92Å; Y38-F396 HydrophobicContact CD1-CE1 3.92Å; Y38-F396 AromaticContact CD2-CD1 3.76Å; Y38-F396 HydrophobicContact CD2-CD1 3.76Å; Y38-F396 HydrophobicContact CD2-CE1 4.21Å; Y38-F396 WeakPolarHBondContact CD2-O 3.5Å; Y38-F396 HydrophobicContact CE1-CE1 4.24Å; Y38-F396 HydrophobicContact CE2-CD1 4.38Å; Y38-F396 AromaticContact CG-CD1 3.6Å; Y38-F396 HydrophobicContact CG-CD1 3.6Å; Y38-F396 AromaticContact CG-CE1 3.89Å; Y38-F396 HydrophobicContact CG-CE1 3.89Å; P54-F396 HydrophobicContact CG-CB 4.14Å; L277-F396 HydrophobicContact CD1-CE1 4.23Å; L277-F396 HydrophobicContact CD1-CZ 4.11Å; I282-F396 HydrophobicContact CD1-CE2 3.91Å; I282-F396 HydrophobicContact CD1-CZ 4.05Å; I282-F396 HydrophobicContact CG1-CE2 4.19Å; I382-F396 HydrophobicContact CG2-CE1 3.91Å; I382-F396 HydrophobicContact CG2-CZ 3.95Å; F384-F396 HydrophobicContact CB-CB 4.24Å; F384-F396 HydrophobicContact CB-CD2 3.51Å; F384-F396 HydrophobicContact CB-CE2 4.1Å; F384-F396 HydrophobicContact CB-CG 4.07Å; F384-F396 HydrophobicContact CD1-CD2 4.1Å; F384-F396 AromaticContact CD1-CE2 3.79Å; F384-F396 HydrophobicContact CD1-CE2 3.79Å; F384-F396 HydrophobicContact CD1-CZ 4.49Å; F384-F396 HydrophobicContact CE1-CE2 4.39Å; F384-F396 AromaticContact CG-CD2 3.87Å; F384-F396 HydrophobicContact CG-CD2 3.87Å; F384-F396 HydrophobicContact CG-CE2 4.01Å; T393-F396 HydrophobicContact CG2-CB 3.83Å; T393-F396 HydrophobicContact CG2-CD2 3.82Å; T393-F396 HydrophobicContact CG2-CG 4.32Å
397D69.3Low58.3Low0 Ų033.3 Ų33.30%017%0.174CC..EExtended strand (participates in β ladder)trans-152.5174.1-158-68.6-52.5000113V51 I52 I382 Y383V51-D397 VanDerWaalsContact C-OD1 3.32Å; V51-D397 WeakPolarHBondContact CA-OD1 3.38Å; V51-D397 WeakPolarHBondContact CG2-OD2 3.19Å; I52-D397 PolarHBondContact N-OD1 2.89Å; I382-D397 CarbonylContact C-O 3.58Å; I382-D397 WeakPolarHBondContact CA-O 3.27Å; I382-D397 WeakPolarHBondContact CG2-O 3.45Å; Y383-D397 HydrophobicContact CD1-CB 4.1Å; Y383-D397 HydrophobicContact CD2-CB 4.33Å; Y383-D397 HydrophobicContact CE1-CB 3.47Å; Y383-D397 VanDerWaalsContact CE1-CB 3.47Å; Y383-D397 HydrophobicContact CE2-CB 3.7Å; Y383-D397 PolarHBondContact N-O 3.35Å; Y383-D397 PolarHBondContact O-N 2.98Å; Y383-D397 VanDerWaalsContact OH-CB 3.23Å; Y383-D397 WeakPolarHBondContact OH-CB 3.15Å; Y383-D397 PolarHBondContact OH-OD2 3.45Å
398R75.2Confident56Low7 Ų735.2 Ų35.23%0.02619%0.188CC..EExtended strand (participates in β ladder)trans-131.6147.7173.768.7-178.4-179-160.3-2.6112.7Y38 A42 R45 F50 L270 E274 F381Y38-R398 HydrophobicContact CE2-CB 4.1Å; Y38-R398 HydrophobicContact CE2-CG 4.22Å; A42-R398 PolarHBondContact O-NH2 3.23Å; R45-R398 PolarHBondContact O-NH2 2.8Å; F50-R398 HydrophobicContact CD1-CG 4.36Å; F50-R398 HydrophobicContact CE1-CG 3.91Å; F50-R398 HydrophobicContact CZ-CG 4.4Å; L270-R398 HydrophobicContact CD2-CB 4.13Å; E274-R398 WeakPolarHBondContact OE1-CD 3.12Å; E274-R398 IonicContact OE1-CZ 3.61Å; E274-R398 IonicContact OE1-NE 3.25Å; E274-R398 IonicContact OE1-NH1 2.72Å; E274-R398 PolarHBondContact OE1-NH1 2.94Å; E274-R398 IonicContact OE2-NH1 3.91Å; E274-R398 PolarHBondContact OE2-NH1 3.23Å; F381-R398 WeakPolarHBondContact O-CA 3.21Å
399I66.4Low54.2Low0 Ų039.6 Ų39.60%021%0.208CC..EExtended strand (participates in β ladder)trans-104115.2162.3-58.9-60.5000108N49 F212 F301 I303 P380 F381 Y383 I401N49-I399 WeakPolarHBondContact OD1-CA 3.36Å; F212-I399 HydrophobicContact CZ-CG2 4.3Å; F301-I399 HydrophobicContact CD1-CD1 4.33Å; F301-I399 HydrophobicContact CD1-CG1 4.44Å; F301-I399 HydrophobicContact CD2-CD1 3.8Å; F301-I399 HydrophobicContact CE1-CD1 4.34Å; F301-I399 HydrophobicContact CE1-CG1 4.19Å; F301-I399 HydrophobicContact CE2-CD1 3.79Å; F301-I399 HydrophobicContact CE2-CG1 4.38Å; F301-I399 HydrophobicContact CG-CD1 4.07Å; F301-I399 HydrophobicContact CZ-CD1 4.06Å; F301-I399 HydrophobicContact CZ-CG1 4.14Å; I303-I399 HydrophobicContact CD1-CD1 3.1Å; I303-I399 HydrophobicContact CG1-CD1 4.41Å; P380-I399 CarbonylContact C-O 3.59Å; P380-I399 WeakPolarHBondContact CA-O 3.34Å; F381-I399 HydrophobicContact CD1-CB 4.03Å; F381-I399 HydrophobicContact CD1-CG2 4.43Å; F381-I399 HydrophobicContact CD2-CB 4.44Å; F381-I399 HydrophobicContact CD2-CG1 4.48Å; F381-I399 HydrophobicContact CE1-CB 3.6Å; F381-I399 HydrophobicContact CE1-CG1 3.97Å; F381-I399 HydrophobicContact CE1-CG2 3.79Å; F381-I399 HydrophobicContact CE2-CB 4.04Å; F381-I399 HydrophobicContact CE2-CG1 3.71Å; F381-I399 HydrophobicContact CG-CB 4.44Å; F381-I399 HydrophobicContact CZ-CB 3.62Å; F381-I399 HydrophobicContact CZ-CG1 3.42Å; F381-I399 VanDerWaalsContact CZ-CG1 3.42Å; F381-I399 HydrophobicContact CZ-CG2 4.11Å; F381-I399 PolarHBondContact N-O 3.08Å; F381-I399 PolarHBondContact O-N 3.2Å; Y383-I399 HydrophobicContact CD1-CD1 4.28Å; Y383-I399 HydrophobicContact CD1-CG1 3.81Å; Y383-I399 HydrophobicContact CE1-CD1 3.72Å; Y383-I399 HydrophobicContact CE1-CG1 3.78Å; I399-I401 HydrophobicContact CG2-CD1 4.24Å; I399-I401 HydrophobicContact CG2-CG1 3.59Å
400Q50.7Low52.3Low19 Ų1942.7 Ų42.79%0.08922%0.216CC..  trans-129.774.7172-166.7173.7-7.900106.7N49 A215 P380 I402N49-Q400 WeakPolarHBondContact OD1-CA 3.37Å; N49-Q400 PolarHBondContact OD1-N 3.39Å; N49-Q400 PolarHBondContact OD1-O 2.87Å; N49-Q400 VanDerWaalsContact OD1-O 3.04Å; A215-Q400 HydrophobicContact CB-CG 3.58Å; P380-Q400 HydrophobicContact CB-CB 4.38Å; P380-Q400 HydrophobicContact CB-CG 4.21Å; P380-Q400 HydrophobicContact CG-CG 4.06Å; Q400-I402 PolarHBondContact O-N 3.04Å
401I57.6Low50.7Low4 Ų444.7 Ų44.72%0.02124%0.238CC..  trans-57.2126.4-179.9-50.2-174.9000108.1N49 F212 C214 L220 V222 I399 Y416N49-I401 PolarHBondContact OD1-N 3.33Å; F212-I401 HydrophobicContact CD1-CB 3.9Å; F212-I401 HydrophobicContact CD1-CD1 3.85Å; F212-I401 HydrophobicContact CD1-CG1 4.01Å; F212-I401 HydrophobicContact CD2-CD1 3.9Å; F212-I401 HydrophobicContact CE1-CB 3.67Å; F212-I401 HydrophobicContact CE1-CD1 3.92Å; F212-I401 HydrophobicContact CE1-CG1 3.66Å; F212-I401 HydrophobicContact CE2-CD1 3.97Å; F212-I401 HydrophobicContact CE2-CG1 4.3Å; F212-I401 HydrophobicContact CG-CD1 3.85Å; F212-I401 HydrophobicContact CG-CG1 4.49Å; F212-I401 HydrophobicContact CZ-CB 4.33Å; F212-I401 HydrophobicContact CZ-CD1 3.98Å; F212-I401 HydrophobicContact CZ-CG1 3.81Å; C214-I401 WeakPolarHBondContact CB-O 3.36Å; C214-I401 PolarHBondContact SG-O 3.32Å; L220-I401 HydrophobicContact CD1-CG2 3.61Å; V222-I401 HydrophobicContact CG1-CD1 3.93Å; I399-I401 HydrophobicContact CG2-CD1 4.24Å; I399-I401 HydrophobicContact CG2-CG1 3.59Å; I401-Y416 WeakPolarHBondContact CD1-OH 3.44Å; I401-Y416 WeakPolarHBondContact CG1-OH 3.3Å; I401-Y416 HydrophobicContact CG2-CE1 4.27Å
402I42.2Very low49.3Very low10 Ų1049 Ų495%0.05127%0.267CS..  trans-124.9160.3175.661.6155.1000111.2E47 Q400 Q404 C405E47-I402 HydrophobicContact CB-CD1 4.33Å; E47-I402 WeakPolarHBondContact O-CD1 3.12Å; E47-I402 VanDerWaalsContact O-CG1 3.27Å; E47-I402 WeakPolarHBondContact O-CG1 3.04Å; E47-I402 WeakPolarHBondContact O-CG2 3.3Å; Q400-I402 PolarHBondContact O-N 3.04Å; I402-Q404 VanDerWaalsContact C-N 3.29Å; I402-Q404 HydrophobicContact CD1-CB 4.21Å; I402-Q404 PolarHBondContact O-N 3.04Å; I402-C405 VanDerWaalsContact CG1-SG 3.51Å; I402-C405 WeakPolarHBondContact O-CB 3.26Å; I402-C405 PolarHBondContact O-N 3.08Å; I402-C405 VanDerWaalsContact O-N 3.09Å; I402-C405 PolarHBondContact O-SG 2.94Å
403Y31.8Very low47.4Very low163 Ų16352 Ų5264%0.63928%0.28SS*.G310 helixtrans-58.5-33-173.6-170.7-105.8000114.8L218 L220 C405 L406L218-Y403 HydrophobicContact CD2-CD2 3.6Å; L218-Y403 HydrophobicContact CD2-CG 4.03Å; L220-Y403 HydrophobicContact CD2-CD2 4.21Å; Y403-C405 PolarHBondContact O-N 2.93Å; Y403-C405 VanDerWaalsContact O-N 3.13Å; Y403-L406 PolarHBondContact O-N 3.09Å
404Q33.5Very low45.9Very low118 Ų11852.7 Ų52.755%0.55128%0.284SS*.G310 helixtrans-66-13.8179.3-86.1177.5-1.200114I402 L406I402-Q404 VanDerWaalsContact C-N 3.29Å; I402-Q404 HydrophobicContact CD1-CB 4.21Å; I402-Q404 PolarHBondContact O-N 3.04Å; Q404-L406 PolarHBondContact O-N 3.07Å
405C37.2Very low44.5Very low12 Ų1255.9 Ų55.98%0.08130%0.299CS..G310 helixtrans-68.7-14.1176.5-62.20000114.4I402 Y403 Y416I402-C405 VanDerWaalsContact CG1-SG 3.51Å; I402-C405 WeakPolarHBondContact O-CB 3.26Å; I402-C405 PolarHBondContact O-N 3.08Å; I402-C405 VanDerWaalsContact O-N 3.09Å; I402-C405 PolarHBondContact O-SG 2.94Å; Y403-C405 PolarHBondContact O-N 2.93Å; Y403-C405 VanDerWaalsContact O-N 3.13Å; C405-Y416 HydrophobicContact CB-CD1 3.16Å; C405-Y416 HydrophobicContact CB-CE1 3.18Å; C405-Y416 HydrophobicContact CB-CG 4.38Å; C405-Y416 WeakPolarHBondContact SG-CD1 3.34Å; C405-Y416 WeakPolarHBondContact SG-CE1 3.38Å
406L38.8Very low43.7Very low80 Ų8057.8 Ų57.842%0.41931%0.307SS..G310 helixtrans-97.210.5-171.7-69.3169000114.6L220 Y403 Q404 S408 V414L220-L406 HydrophobicContact CD1-CD1 4.1Å; L220-L406 HydrophobicContact CD2-CD1 3.82Å; Y403-L406 PolarHBondContact O-N 3.09Å; Q404-L406 PolarHBondContact O-N 3.07Å; L406-S408 PolarHBondContact O-N 3.05Å; L406-S408 VanDerWaalsContact O-N 3.16Å; L406-V414 HydrophobicContact CD2-CG1 4.21Å
407S27.3Very low41.7Very low81 Ų8160.8 Ų60.857%0.56633%0.326SS*.SBendtrans-76.54.8-177.6113.30000115.2
408S32.2Very low40Very low49 Ų4966.4 Ų66.434%0.34336%0.355SS..  trans-124.673.3169.2-173.10000110.1L406 K410L406-S408 PolarHBondContact O-N 3.05Å; L406-S408 VanDerWaalsContact O-N 3.16Å; S408-K410 VanDerWaalsContact C-N 3.32Å; S408-K410 PolarHBondContact O-N 2.82Å; S408-K410 VanDerWaalsContact O-N 3.08Å
409N34.6Very low37.7Very low156 Ų15673.4 Ų73.483%0.83439%0.386SS*.  trans-78.586.4170.1-154.21.7000108.7
410K31.2Very low35.9Very low178 Ų17879.3 Ų79.377%0.77442%0.418SS*.  trans-13585.6160.2-76.3-167.8179-179.30108.7S408S408-K410 VanDerWaalsContact C-N 3.32Å; S408-K410 PolarHBondContact O-N 2.82Å; S408-K410 VanDerWaalsContact O-N 3.08Å
411G33.3Very low34.8Very low49 Ų4986.6 Ų86.651%0.50545%0.449SS..SBendtrans62.6126155.900000118.4F413G411-F413 PolarHBondContact O-N 2.9Å
412S35.8Very low33.4Very low96 Ų9694.8 Ų94.867%0.67149%0.487SS*.SBendtrans69.3-14.5159.8-50.50000119.2R300R300-S412 PolarHBondContact NH1-O 2.99Å; R300-S412 VanDerWaalsContact NH1-O 3.1Å
413F33.7Very low32.6Very low65 Ų6598.5 Ų98.529%0.28551%0.514SS..SBendtrans-133145.8177.3-64.9-91.2000111.7L352 G411 H415L352-F413 HydrophobicContact CD2-CD1 4.45Å; L352-F413 HydrophobicContact CD2-CE1 3.72Å; G411-F413 PolarHBondContact O-N 2.9Å; F413-H415 PolarHBondContact O-N 3.13Å
414V38.8Very low32.5Very low18 Ų18104.3 Ų104.311%0.10954%0.543CS..  trans-82.293.5160.2-174.30000106.5P223 L406 Y416P223-V414 HydrophobicContact CG-CG2 4.49Å; L406-V414 HydrophobicContact CD2-CG1 4.21Å; V414-Y416 HydrophobicContact CB-CE2 4.12Å; V414-Y416 HydrophobicContact CG1-CD1 4.47Å; V414-Y416 HydrophobicContact CG1-CD2 4.4Å; V414-Y416 HydrophobicContact CG1-CE1 3.81Å; V414-Y416 HydrophobicContact CG1-CE2 3.76Å; V414-Y416 VanDerWaalsContact CG1-CZ 3.41Å; V414-Y416 WeakPolarHBondContact CG1-OH 3.26Å; V414-Y416 WeakPolarHBondContact O-CD2 3.4Å; V414-Y416 WeakPolarHBondContact O-CE2 3.28Å
415H34.3Very low32.4Very low68 Ų68103.6 Ų103.632%0.31554%0.542SS..  trans-76.8128.4171.7-77.7-78.7000109.5F413 P417F413-H415 PolarHBondContact O-N 3.13Å; H415-P417 WeakPolarHBondContact O-CD 3.35Å
416Y42.8Very low32.2Very low40 Ų40108.4 Ų108.416%0.15757%0.567CS.*  trans-104.474.5177.8-64.2-82000111.7N49 F301 I303 I401 C405 V414N49-Y416 WeakPolarHBondContact ND2-CD1 3.21Å; N49-Y416 WeakPolarHBondContact ND2-CE1 3.38Å; N49-Y416 VanDerWaalsContact ND2-CZ 3.28Å; F301-Y416 HydrophobicContact CB-CE2 4.48Å; I303-Y416 HydrophobicContact CG1-CD2 4.09Å; I303-Y416 HydrophobicContact CG1-CE2 4.43Å; I401-Y416 WeakPolarHBondContact CD1-OH 3.44Å; I401-Y416 WeakPolarHBondContact CG1-OH 3.3Å; I401-Y416 HydrophobicContact CG2-CE1 4.27Å; C405-Y416 HydrophobicContact CB-CD1 3.16Å; C405-Y416 HydrophobicContact CB-CE1 3.18Å; C405-Y416 HydrophobicContact CB-CG 4.38Å; C405-Y416 WeakPolarHBondContact SG-CD1 3.34Å; C405-Y416 WeakPolarHBondContact SG-CE1 3.38Å; V414-Y416 HydrophobicContact CB-CE2 4.12Å; V414-Y416 HydrophobicContact CG1-CD1 4.47Å; V414-Y416 HydrophobicContact CG1-CD2 4.4Å; V414-Y416 HydrophobicContact CG1-CE1 3.81Å; V414-Y416 HydrophobicContact CG1-CE2 3.76Å; V414-Y416 VanDerWaalsContact CG1-CZ 3.41Å; V414-Y416 WeakPolarHBondContact CG1-OH 3.26Å; V414-Y416 WeakPolarHBondContact O-CD2 3.4Å; V414-Y416 WeakPolarHBondContact O-CE2 3.28Å
417P29.5Very low31.8Very low64 Ų64110 Ų11042%0.41658%0.575SS.*  trans-78.1145174.631.7-33.2000111.8H415H415-P417 WeakPolarHBondContact O-CD 3.35Å
418L34.1Very low32.1Very low117 Ų117111.7 Ų111.761%0.61358%0.575SS**  trans-66.4134.2175.8-69.2159.9000111.3
419K27Very low32.1Very low154 Ų154115.6 Ų115.667%0.6759%0.59SS**  trans-103.4105.8149.6-90.1-174.8176.7179.70107.9K421K419-K421 PolarHBondContact O-N 2.74Å; K419-K421 VanDerWaalsContact O-N 3.13Å
420N28.7Very low31.9Very low125 Ų125112.9 Ų112.967%0.66857%0.574SS**  trans-65107.8161.2-81.3-5.1000107.7
421K26.6Very low32Very low172 Ų172108.3 Ų108.375%0.74856%0.559SS**  trans-95.288.1156.7-86.1-169.6174-172.50107.4K419K419-K421 PolarHBondContact O-N 2.74Å; K419-K421 VanDerWaalsContact O-N 3.13Å
422H28.3Very low31.9Very low176 Ų176112.8 Ų112.882%0.81556%0.563SS**  trans-81.8117.5145.7-75.7-72.1000106.4
423S25.3Very low31.5Very low87 Ų87114.3 Ų114.361%0.60855%0.554SS**  trans-145.4102.6163.648.50000108.3
424F29.5Very low31.3Very low285 Ų285118.7 Ų118.7100%1.2558%0.579SS**  trans71.70164.9-61.8-78.1000119.3

Retrieved 424 of 424 residues in 2543.6 ms (Link to these results)

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