A0A087XXA2_POEFO Loading...

Nudix (nucleoside diphosphate linked moiety X)-type motif 18

AlphaFold DB , UniProt , Accession A0A087XXA2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 338 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
1M62.6Low90.1Very high173 Ų17389 Ų8985%0.85245%0.446SS*.  01290-173172.369.800107.5Q211M1-Q211 PolarHBondContact O-NE2 2.88Å
2E79.8Confident90.7Very high181 Ų18183.3 Ų83.385%0.84642%0.416SS*.PPolyproline II helixtrans-76141.9-179-72.3-174.5165.100111.5T4E2-T4 PolarHBondContact O-N 3.2Å
3V89.4Confident91.1Very high14 Ų1483.6 Ų83.69%0.08542%0.416CS..PPolyproline II helixtrans-70.5124.3173.7179.80000109E7 R8 L209 P215 V309 M311V3-E7 HydrophobicContact CG1-CB 3.67Å; V3-R8 HydrophobicContact CG1-CB 4.2Å; V3-L209 HydrophobicContact CG2-CD1 4.42Å; V3-P215 HydrophobicContact CG1-CG 4.3Å; V3-P215 HydrophobicContact CG2-CG 4.42Å; V3-V309 HydrophobicContact CG2-CG1 3.69Å; V3-V309 HydrophobicContact CG2-CG2 4.27Å; V3-M311 HydrophobicContact CB-CG 4.48Å; V3-M311 HydrophobicContact CG1-CG 4.39Å; V3-M311 HydrophobicContact CG1-SD 4.14Å; V3-M311 HydrophobicContact CG2-CB 4.42Å
4T93.3Very high91.5Very high73 Ų7380.4 Ų80.445%0.44840%0.399SS..PPolyproline II helixtrans-66.4159.9179660000111.4E2 K6 E7 R8E2-T4 PolarHBondContact O-N 3.2Å; T4-K6 PolarHBondContact O-N 3.2Å; T4-E7 WeakPolarHBondContact CB-OE2 3.39Å; T4-E7 WeakPolarHBondContact CG2-OE2 3.27Å; T4-E7 PolarHBondContact N-OE2 2.96Å; T4-E7 PolarHBondContact O-N 3.35Å; T4-E7 WeakPolarHBondContact OG1-CB 3.49Å; T4-E7 VanDerWaalsContact OG1-CD 3.23Å; T4-E7 VanDerWaalsContact OG1-CG 3.22Å; T4-E7 WeakPolarHBondContact OG1-CG 3.49Å; T4-E7 PolarHBondContact OG1-N 3.49Å; T4-E7 PolarHBondContact OG1-OE2 3.42Å; T4-R8 WeakPolarHBondContact O-CB 3.44Å; T4-R8 PolarHBondContact O-N 3.27Å
5A93.3Very high91.9Very high75 Ų7575.1 Ų75.162%0.6237%0.373SS*.Hα-helixtrans-57.9-36.617800000112.8Q9A5-Q9 PolarHBondContact O-N 2.77Å
6K94Very high92.2Very high147 Ų14775.8 Ų75.864%0.63938%0.375SS*.Hα-helixtrans-68.8-46177.9-176-177.8176.7-175.10111.9T4 R8 Q9 Q10T4-K6 PolarHBondContact O-N 3.2Å; K6-R8 VanDerWaalsContact C-N 3.31Å; K6-R8 PolarHBondContact O-N 3.41Å; K6-Q9 PolarHBondContact O-N 2.86Å; K6-Q10 WeakPolarHBondContact O-CG 3.43Å; K6-Q10 PolarHBondContact O-N 3.04Å; K6-Q10 VanDerWaalsContact O-N 3.11Å
7E95.1Very high92.4Very high41 Ų4176.6 Ų76.619%0.19238%0.377CS..Hα-helixtrans-63.8-39.4176.9-69.9164141.100111.2V3 T4 Q10 V11 P215V3-E7 HydrophobicContact CG1-CB 3.67Å; T4-E7 WeakPolarHBondContact CB-OE2 3.39Å; T4-E7 WeakPolarHBondContact CG2-OE2 3.27Å; T4-E7 PolarHBondContact N-OE2 2.96Å; T4-E7 PolarHBondContact O-N 3.35Å; T4-E7 WeakPolarHBondContact OG1-CB 3.49Å; T4-E7 VanDerWaalsContact OG1-CD 3.23Å; T4-E7 VanDerWaalsContact OG1-CG 3.22Å; T4-E7 WeakPolarHBondContact OG1-CG 3.49Å; T4-E7 PolarHBondContact OG1-N 3.49Å; T4-E7 PolarHBondContact OG1-OE2 3.42Å; E7-Q10 PolarHBondContact O-N 2.91Å; E7-V11 WeakPolarHBondContact O-CG2 3.48Å; E7-V11 PolarHBondContact O-N 2.68Å; E7-P215 HydrophobicContact CB-CG 4Å; E7-P215 HydrophobicContact CG-CG 4.12Å; E7-P215 WeakPolarHBondContact OE1-CD 3.18Å
8R96.1Very high92.6Very high72 Ų7272.5 Ų72.527%0.27236%0.357SS..Hα-helixtrans-57.5-51.3174.4179.8-178-55.7139.26.8111.3V3 T4 K6 Q10 V11 E12 M311V3-R8 HydrophobicContact CG1-CB 4.2Å; T4-R8 WeakPolarHBondContact O-CB 3.44Å; T4-R8 PolarHBondContact O-N 3.27Å; K6-R8 VanDerWaalsContact C-N 3.31Å; K6-R8 PolarHBondContact O-N 3.41Å; R8-Q10 VanDerWaalsContact C-N 3.27Å; R8-Q10 PolarHBondContact O-N 3.25Å; R8-V11 PolarHBondContact O-N 2.91Å; R8-V11 VanDerWaalsContact O-N 3.16Å; R8-E12 HydrophobicContact CG-CG 4.28Å; R8-E12 WeakPolarHBondContact O-CG 3.49Å; R8-E12 PolarHBondContact O-N 2.67Å; R8-M311 HydrophobicContact CB-SD 3.96Å; R8-M311 HydrophobicContact CG-CE 4.37Å; R8-M311 HydrophobicContact CG-CG 4.26Å; R8-M311 HydrophobicContact CG-SD 3.72Å
9Q95.7Very high92.8Very high108 Ų10870.5 Ų70.551%0.50535%0.348SS..Hα-helixtrans-56.6-43.3178.8-176-175.7-1300111.4A5 K6 V11 E12 E13A5-Q9 PolarHBondContact O-N 2.77Å; K6-Q9 PolarHBondContact O-N 2.86Å; Q9-V11 PolarHBondContact O-N 3.33Å; Q9-E12 PolarHBondContact O-N 3Å; Q9-E13 WeakPolarHBondContact CG-OE1 3.33Å; Q9-E13 PolarHBondContact NE2-OE1 2.75Å; Q9-E13 WeakPolarHBondContact O-CB 3.43Å; Q9-E13 WeakPolarHBondContact O-CG 3.46Å; Q9-E13 PolarHBondContact O-N 3.09Å
10Q95.1Very high92.8Very high93 Ų9371.1 Ų71.144%0.43536%0.359SS..Hα-helixtrans-63.4-40.4178.2-71175.3-24.200112.9K6 E7 R8 Q14K6-Q10 WeakPolarHBondContact O-CG 3.43Å; K6-Q10 PolarHBondContact O-N 3.04Å; K6-Q10 VanDerWaalsContact O-N 3.11Å; E7-Q10 PolarHBondContact O-N 2.91Å; R8-Q10 VanDerWaalsContact C-N 3.27Å; R8-Q10 PolarHBondContact O-N 3.25Å; Q10-Q14 WeakPolarHBondContact O-CB 3.31Å; Q10-Q14 PolarHBondContact O-N 2.78Å
11V96.4Very high92.8Very high2 Ų268.9 Ų68.91%0.01236%0.355CS..Hα-helixtrans-68.6-42.1176.1174.20000110.7E7 R8 Q9 Q14 V15 L209 P215 M311E7-V11 WeakPolarHBondContact O-CG2 3.48Å; E7-V11 PolarHBondContact O-N 2.68Å; R8-V11 PolarHBondContact O-N 2.91Å; R8-V11 VanDerWaalsContact O-N 3.16Å; Q9-V11 PolarHBondContact O-N 3.33Å; V11-Q14 WeakPolarHBondContact O-CB 3.47Å; V11-Q14 PolarHBondContact O-N 3.4Å; V11-V15 HydrophobicContact CG1-CG2 4.35Å; V11-V15 VanDerWaalsContact O-CG2 3.26Å; V11-V15 WeakPolarHBondContact O-CG2 3.32Å; V11-V15 PolarHBondContact O-N 2.8Å; V11-L209 HydrophobicContact CG1-CD1 4.08Å; V11-L209 HydrophobicContact CG1-CD2 3.78Å; V11-L209 HydrophobicContact CG2-CD1 4.03Å; V11-P215 HydrophobicContact CG2-CB 4.23Å; V11-M311 HydrophobicContact CB-CE 3.96Å; V11-M311 HydrophobicContact CB-SD 4Å; V11-M311 HydrophobicContact CG1-CE 3.51Å; V11-M311 HydrophobicContact CG1-SD 4.04Å; V11-M311 HydrophobicContact CG2-SD 4.48Å
12E97.6Very high94.3Very high20 Ų2065.7 Ų65.79%0.09334%0.337CS..Hα-helixtrans-61-45.7176.4-70.4-178.3149.600111.2R8 Q9 Q14 V15 E16 M311 Q314 A315 L318R8-E12 HydrophobicContact CG-CG 4.28Å; R8-E12 WeakPolarHBondContact O-CG 3.49Å; R8-E12 PolarHBondContact O-N 2.67Å; Q9-E12 PolarHBondContact O-N 3Å; E12-Q14 VanDerWaalsContact C-N 3.33Å; E12-Q14 PolarHBondContact O-N 3.43Å; E12-V15 PolarHBondContact O-N 3.21Å; E12-V15 VanDerWaalsContact O-N 3.14Å; E12-E16 WeakPolarHBondContact O-CG 3.39Å; E12-E16 PolarHBondContact O-N 3.42Å; E12-M311 HydrophobicContact CG-CE 4.25Å; E12-Q314 PolarHBondContact OE1-N 3.01Å; E12-A315 PolarHBondContact OE1-N 3.49Å; E12-L318 HydrophobicContact CB-CD2 3.63Å; E12-L318 HydrophobicContact CG-CD2 3.72Å
13E96.5Very high94.8Very high88 Ų8858 Ų5841%0.41131%0.307SS..Hα-helixtrans-59.1-42173.5-73.8171-168.700111.9Q9 V15 E16 Q17Q9-E13 WeakPolarHBondContact CG-OE1 3.33Å; Q9-E13 PolarHBondContact NE2-OE1 2.75Å; Q9-E13 WeakPolarHBondContact O-CB 3.43Å; Q9-E13 WeakPolarHBondContact O-CG 3.46Å; Q9-E13 PolarHBondContact O-N 3.09Å; E13-V15 VanDerWaalsContact C-N 3.34Å; E13-V15 PolarHBondContact O-N 2.89Å; E13-E16 PolarHBondContact O-N 3.21Å; E13-Q17 WeakPolarHBondContact O-CG 3.18Å; E13-Q17 PolarHBondContact O-N 2.84Å
14Q95.7Very high95Very high39 Ų3959.2 Ų59.218%0.18232%0.316CS..Hα-helixtrans-62.1-41.9175-177.1-177.830.700111.6Q10 V11 E12 Q17 L18Q10-Q14 WeakPolarHBondContact O-CB 3.31Å; Q10-Q14 PolarHBondContact O-N 2.78Å; V11-Q14 WeakPolarHBondContact O-CB 3.47Å; V11-Q14 PolarHBondContact O-N 3.4Å; E12-Q14 VanDerWaalsContact C-N 3.33Å; E12-Q14 PolarHBondContact O-N 3.43Å; Q14-Q17 WeakPolarHBondContact O-CB 3.3Å; Q14-Q17 PolarHBondContact O-N 3.19Å; Q14-L18 WeakPolarHBondContact O-CG 3.45Å; Q14-L18 PolarHBondContact O-N 2.84Å; Q14-L18 VanDerWaalsContact O-N 3.08Å
15V97.8Very high95Very high0 Ų061.5 Ų61.50%032%0.322CS..Hα-helixtrans-68.7-40.1179.8173.80000111.1V11 E12 E13 Q17 L18 L19 L195 I207 L217 L318 L322V11-V15 HydrophobicContact CG1-CG2 4.35Å; V11-V15 VanDerWaalsContact O-CG2 3.26Å; V11-V15 WeakPolarHBondContact O-CG2 3.32Å; V11-V15 PolarHBondContact O-N 2.8Å; E12-V15 PolarHBondContact O-N 3.21Å; E12-V15 VanDerWaalsContact O-N 3.14Å; E13-V15 VanDerWaalsContact C-N 3.34Å; E13-V15 PolarHBondContact O-N 2.89Å; V15-Q17 VanDerWaalsContact C-N 3.33Å; V15-Q17 PolarHBondContact O-N 3.07Å; V15-L18 PolarHBondContact O-N 2.92Å; V15-L19 HydrophobicContact CG1-CD1 3.97Å; V15-L19 HydrophobicContact CG1-CG 4.35Å; V15-L19 WeakPolarHBondContact O-CG 3.31Å; V15-L19 PolarHBondContact O-N 3.49Å; V15-L195 HydrophobicContact CG1-CD1 4.39Å; V15-L195 HydrophobicContact CG1-CD2 3.59Å; V15-L195 HydrophobicContact CG2-CD1 4.01Å; V15-L195 HydrophobicContact CG2-CD2 4.44Å; V15-I207 HydrophobicContact CG2-CD1 4.06Å; V15-L217 HydrophobicContact CG2-CD1 4.43Å; V15-L217 HydrophobicContact CG2-CD2 4.35Å; V15-L318 HydrophobicContact CB-CD1 4.38Å; V15-L318 HydrophobicContact CB-CD2 4.35Å; V15-L318 HydrophobicContact CG1-CD1 3.68Å; V15-L318 HydrophobicContact CG1-CD2 4.37Å; V15-L322 HydrophobicContact CG1-CD1 4.44Å; V15-L322 HydrophobicContact CG1-CD2 4.14Å
16E97.4Very high94.8Very high87 Ų8759.6 Ų59.641%0.40730%0.302SS..Hα-helixtrans-59.7-43173.6-72.8177.7170.400111.7E12 E13 L18 L19 S20 L318E12-E16 WeakPolarHBondContact O-CG 3.39Å; E12-E16 PolarHBondContact O-N 3.42Å; E13-E16 PolarHBondContact O-N 3.21Å; E16-L18 PolarHBondContact O-N 3.45Å; E16-L19 PolarHBondContact O-N 3.41Å; E16-S20 PolarHBondContact O-N 3.34Å; E16-L318 HydrophobicContact CG-CB 4.37Å; E16-L318 HydrophobicContact CG-CD1 4.02Å; E16-L318 HydrophobicContact CG-CD2 4.34Å; E16-L318 HydrophobicContact CG-CG 4.47Å
17Q95.8Very high94.4Very high89 Ų8958.3 Ų58.342%0.41631%0.307SS..Hα-helixtrans-58-47.5173.3-73.6173.90.800111.4E13 Q14 V15 L19 S20 G21 Q22E13-Q17 WeakPolarHBondContact O-CG 3.18Å; E13-Q17 PolarHBondContact O-N 2.84Å; Q14-Q17 WeakPolarHBondContact O-CB 3.3Å; Q14-Q17 PolarHBondContact O-N 3.19Å; V15-Q17 VanDerWaalsContact C-N 3.33Å; V15-Q17 PolarHBondContact O-N 3.07Å; Q17-L19 PolarHBondContact O-N 3.35Å; Q17-S20 PolarHBondContact O-N 3.44Å; Q17-S20 PolarHBondContact O-OG 3.22Å; Q17-G21 PolarHBondContact O-N 2.8Å; Q17-Q22 HydrophobicContact CB-CB 4.33Å; Q17-Q22 WeakPolarHBondContact O-CB 3.5Å; Q17-Q22 PolarHBondContact O-N 2.9Å
18L95.8Very high94.1Very high3 Ų359.3 Ų59.32%0.01631%0.313CS..Hα-helixtrans-62.6-42.5177.9-67.5-179.9000112.5Q14 V15 E16 S20 G21 Q22 L217 L255 N273Q14-L18 WeakPolarHBondContact O-CG 3.45Å; Q14-L18 PolarHBondContact O-N 2.84Å; Q14-L18 VanDerWaalsContact O-N 3.08Å; V15-L18 PolarHBondContact O-N 2.92Å; E16-L18 PolarHBondContact O-N 3.45Å; L18-S20 PolarHBondContact O-N 2.93Å; L18-G21 PolarHBondContact O-N 3.41Å; L18-Q22 WeakPolarHBondContact CD2-O 3.31Å; L18-L217 HydrophobicContact CD1-CD1 3.37Å; L18-L255 HydrophobicContact CB-CD1 4.21Å; L18-N273 HydrophobicContact CD2-CB 3.86Å
19L95.5Very high94Very high35 Ų3557.1 Ų57.118%0.18331%0.309CS..Hα-helixtrans-62.9-30.2176.5-74.3167000112.6V15 E16 Q17 G21 L255 L318 E321 L322 Q325V15-L19 HydrophobicContact CG1-CD1 3.97Å; V15-L19 HydrophobicContact CG1-CG 4.35Å; V15-L19 WeakPolarHBondContact O-CG 3.31Å; V15-L19 PolarHBondContact O-N 3.49Å; E16-L19 PolarHBondContact O-N 3.41Å; Q17-L19 PolarHBondContact O-N 3.35Å; L19-G21 PolarHBondContact O-N 2.86Å; L19-L255 HydrophobicContact CD2-CD2 3.81Å; L19-L318 HydrophobicContact CD1-CD1 3.36Å; L19-E321 HydrophobicContact CD1-CG 3.93Å; L19-E321 HydrophobicContact CD2-CG 4.26Å; L19-L322 HydrophobicContact CD1-CD2 3.92Å; L19-L322 HydrophobicContact CD1-CG 4.37Å; L19-L322 HydrophobicContact CD2-CD2 4.22Å; L19-L322 HydrophobicContact CG-CD2 4.49Å; L19-Q325 HydrophobicContact CD2-CG 4.33Å
20S93.7Very high93.9Very high81 Ų8152.8 Ų52.857%0.56629%0.289SS*.THydrogen-bonded Turntrans-77.73173.576.40000114.2E16 Q17 L18 Q22E16-S20 PolarHBondContact O-N 3.34Å; Q17-S20 PolarHBondContact O-N 3.44Å; Q17-S20 PolarHBondContact O-OG 3.22Å; L18-S20 PolarHBondContact O-N 2.93Å; S20-Q22 VanDerWaalsContact C-N 3.34Å
21G92.2Very high93.8Very high26 Ų2649 Ų4927%0.26827%0.272SS..THydrogen-bonded Turntrans82.98.1-178.600000114.1Q17 L18 L19 S256Q17-G21 PolarHBondContact O-N 2.8Å; L18-G21 PolarHBondContact O-N 3.41Å; L19-G21 PolarHBondContact O-N 2.86Å; G21-S256 VanDerWaalsContact O-CB 3.31Å; G21-S256 WeakPolarHBondContact O-CB 3.27Å
22Q93.9Very high93.6Very high105 Ų10549.1 Ų49.149%0.49127%0.274SS..  trans-82.1177.8173.7-61.4-170.2-12.700111.5Q17 L18 S20 L183 S256Q17-Q22 HydrophobicContact CB-CB 4.33Å; Q17-Q22 WeakPolarHBondContact O-CB 3.5Å; Q17-Q22 PolarHBondContact O-N 2.9Å; L18-Q22 WeakPolarHBondContact CD2-O 3.31Å; S20-Q22 VanDerWaalsContact C-N 3.34Å; Q22-L183 VanDerWaalsContact C-CD1 3.48Å; Q22-S256 WeakPolarHBondContact O-CB 3.36Å; Q22-S256 PolarHBondContact O-OG 2.89Å
23G91.7Very high93.3Very high20 Ų2051.5 Ų51.521%0.20629%0.286CS..  trans-156177.1-176.500000110.6L183G23-L183 VanDerWaalsContact N-CD1 3.31Å
24S93.3Very high93Very high40 Ų4054.2 Ų54.228%0.2830%0.299SS..  trans-150.6151.4179.7620000109.2V26 R193 Q258S24-V26 PolarHBondContact O-N 3.34Å; S24-R193 PolarHBondContact O-NH1 3.38Å; S24-R193 VanDerWaalsContact O-NH1 3.13Å; S24-R193 PolarHBondContact O-NH2 2.83Å; S24-R193 PolarHBondContact OG-NH1 2.87Å; S24-R193 VanDerWaalsContact OG-NH1 3.13Å; S24-R193 PolarHBondContact OG-NH2 2.83Å; S24-Q258 PolarHBondContact O-NE2 3.35Å; S24-Q258 PolarHBondContact O-OE1 2.9Å
25E92.3Very high92.8Very high120 Ų12058.4 Ų58.456%0.56132%0.322SS*.  trans-49.9141.2-178.1-66.2-170.2159.500112.3T27 L185 R193E25-T27 HydrophobicContact CB-CG2 4.44Å; E25-T27 PolarHBondContact O-N 2.84Å; E25-L185 HydrophobicContact CG-CD2 4.17Å; E25-R193 PolarHBondContact O-NH2 3.03Å
26V89.9Confident92.4Very high35 Ų3559.3 Ų59.321%0.21233%0.329CS..  trans-83.695.7173.4-178.80000108.1S24 L28 V191 T219 C271S24-V26 PolarHBondContact O-N 3.34Å; V26-L28 WeakPolarHBondContact CG1-O 3.4Å; V26-V191 HydrophobicContact CG1-CG2 4.12Å; V26-V191 HydrophobicContact CG2-CG2 4.05Å; V26-T219 HydrophobicContact CG1-CG2 4.21Å; V26-C271 HydrophobicContact CG2-CB 3.59Å; V26-C271 VanDerWaalsContact CG2-SG 3.57Å
27T85.6Confident92.1Very high120 Ų12061.7 Ų61.774%0.73634%0.337SS*.  trans-87-23.4179.553.70000113.1E25E25-T27 HydrophobicContact CB-CG2 4.44Å; E25-T27 PolarHBondContact O-N 2.84Å
28L88.7Confident92.1Very high62 Ų6259.5 Ų59.533%0.32533%0.331SS..  trans-144.1157.4-176.768.193.2000111.1V26 D30 H216V26-L28 WeakPolarHBondContact CG1-O 3.4Å; L28-D30 WeakPolarHBondContact CD1-OD1 3.3Å; L28-D30 WeakPolarHBondContact CD1-OD2 3.15Å; L28-H216 VanDerWaalsContact CD1-NE2 3.26Å; L28-H216 WeakPolarHBondContact CD1-NE2 3.4Å
29C92.6Very high92Very high26 Ų2659.4 Ų59.418%0.17633%0.33CS..  trans-135.6120.7170.8-176.80000108L31 L33 T219 A221C29-L31 PolarHBondContact SG-O 3.44Å; C29-L33 HydrophobicContact CB-CB 4.11Å; C29-L33 HydrophobicContact CB-CD1 4.01Å; C29-L33 HydrophobicContact CB-CD2 4.16Å; C29-L33 HydrophobicContact CB-CG 4.31Å; C29-T219 CarbonylContact C-O 3.52Å; C29-A221 PolarHBondContact SG-N 3.07Å
30D94.6Very high92.1Very high18 Ų1858.7 Ų58.710%0.09633%0.328CS..  trans-82.3-33.1-169.5-66.2-62.6000114.1L28 V210 H216 T219 R307L28-D30 WeakPolarHBondContact CD1-OD1 3.3Å; L28-D30 WeakPolarHBondContact CD1-OD2 3.15Å; D30-V210 HydrophobicContact CB-CG2 4.33Å; D30-H216 IonicContact OD1-NE2 3.09Å; D30-H216 PolarHBondContact OD1-NE2 2.66Å; D30-H216 IonicContact OD2-CD2 3.23Å; D30-H216 IonicContact OD2-NE2 3.47Å; D30-H216 PolarHBondContact OD2-NE2 2.66Å; D30-T219 WeakPolarHBondContact CA-O 3.49Å; D30-T219 WeakPolarHBondContact CB-O 3.37Å; D30-T219 PolarHBondContact N-O 3.12Å; D30-T219 PolarHBondContact OD2-N 2.94Å; D30-R307 PolarHBondContact O-NH1 2.96Å; D30-R307 PolarHBondContact O-NH2 3.47Å; D30-R307 VanDerWaalsContact O-NH2 3.08Å; D30-R307 IonicContact OD1-CZ 3.86Å; D30-R307 IonicContact OD1-NH2 3.97Å; D30-R307 PolarHBondContact OD1-NH2 3.42Å
31L93.7Very high92.1Very high13 Ų1355.1 Ų55.17%0.06830%0.302CS..BIsolated β-bridgetrans-131.3130.1-165.1-73.3159.5000110.2C29 L33 T219 A220 A221 M234 A235 E238C29-L31 PolarHBondContact SG-O 3.44Å; L31-L33 PolarHBondContact O-N 2.88Å; L31-T219 PolarHBondContact N-O 3.04Å; L31-A220 HydrophobicContact CB-CB 3.63Å; L31-A220 HydrophobicContact CD1-CB 3.95Å; L31-A220 HydrophobicContact CG-CB 4.45Å; L31-A221 PolarHBondContact O-N 3.27Å; L31-M234 HydrophobicContact CB-CE 4.25Å; L31-M234 HydrophobicContact CD1-CB 4.35Å; L31-A235 HydrophobicContact CD1-CB 3.77Å; L31-E238 HydrophobicContact CD2-CB 4.13Å; L31-E238 HydrophobicContact CD2-CG 4.37Å; L31-E238 WeakPolarHBondContact CD2-OE2 3.35Å
32G91.1Very high92Very high5 Ų561 Ų615%0.05232%0.316CS..SBendtrans71.76.516800000115.8E34 L35 S36 L223G32-E34 VanDerWaalsContact C-N 3.25Å; G32-E34 WeakPolarHBondContact CA-OE1 3.22Å; G32-E34 PolarHBondContact O-N 3.09Å; G32-L35 PolarHBondContact O-N 2.96Å; G32-L35 VanDerWaalsContact O-N 3.13Å; G32-S36 WeakPolarHBondContact O-CB 3.37Å; G32-S36 PolarHBondContact O-N 3.44Å; G32-L223 WeakPolarHBondContact O-CD2 2.98Å
33L91.5Very high92Very high69 Ų6963.8 Ų63.836%0.36133%0.327SS..G310 helixtrans-61.1-38.1-178.1-175.964.7000111.6C29 L31 L35 S36C29-L33 HydrophobicContact CB-CB 4.11Å; C29-L33 HydrophobicContact CB-CD1 4.01Å; C29-L33 HydrophobicContact CB-CD2 4.16Å; C29-L33 HydrophobicContact CB-CG 4.31Å; L31-L33 PolarHBondContact O-N 2.88Å; L33-L35 PolarHBondContact O-N 3.48Å; L33-S36 WeakPolarHBondContact O-CB 3.47Å; L33-S36 PolarHBondContact O-N 3.42Å; L33-S36 VanDerWaalsContact O-N 3.08Å
34E91.5Very high92.1Very high146 Ų14664.7 Ų64.768%0.68233%0.327SS*.G310 helixtrans-63.3-26.2177.870.6-63.5153.100113.6G32G32-E34 VanDerWaalsContact C-N 3.25Å; G32-E34 WeakPolarHBondContact CA-OE1 3.22Å; G32-E34 PolarHBondContact O-N 3.09Å
35L90Very high92.2Very high127 Ų12763.1 Ų63.167%0.66532%0.316SS*.G310 helixtrans-96.1-11.5175.3-59.4178.6000112.4G32 L33 L223G32-L35 PolarHBondContact O-N 2.96Å; G32-L35 VanDerWaalsContact O-N 3.13Å; L33-L35 PolarHBondContact O-N 3.48Å; L35-L223 HydrophobicContact CB-CD1 4.45Å; L35-L223 HydrophobicContact CB-CD2 3.76Å; L35-L223 HydrophobicContact CD1-CD1 4.18Å
36S90.6Very high92.4Very high19 Ų1959.4 Ų59.413%0.13330%0.301CS..  trans-84.6151.2179.7-171.60000111.9G32 L33 H189G32-S36 WeakPolarHBondContact O-CB 3.37Å; G32-S36 PolarHBondContact O-N 3.44Å; L33-S36 WeakPolarHBondContact O-CB 3.47Å; L33-S36 PolarHBondContact O-N 3.42Å; L33-S36 VanDerWaalsContact O-N 3.08Å; S36-H189 PolarHBondContact OG-ND1 2.9Å
37K91.1Very high92.8Very high136 Ų13657.8 Ų57.859%0.59129%0.291SS*.  trans-111.1139.5170.9-65.7-175.9-179.8-177.50108.8A39 H189K37-A39 PolarHBondContact O-N 2.83Å; K37-H189 PolarHBondContact O-ND1 2.87Å
38P93.9Very high93.4Very high43 Ų4353.1 Ų53.128%0.27926%0.262SS..  trans-50.9135.4170.5-27.334.7000110.6N44 R188P38-N44 PolarHBondContact O-ND2 3.4Å; P38-R188 CarbonylContact C-O 3.58Å; P38-R188 WeakPolarHBondContact CA-O 3.47Å; P38-R188 HydrophobicContact CB-CG 4.03Å
39A95.1Very high93.9Very high1 Ų150.2 Ų50.21%0.00825%0.247CC..  trans-66.8137.3177.600000109.4K37 V45 R188 I190 D268K37-A39 PolarHBondContact O-N 2.83Å; A39-V45 HydrophobicContact CB-CG1 4.07Å; A39-V45 HydrophobicContact CB-CG2 4.19Å; A39-R188 PolarHBondContact N-O 3.14Å; A39-I190 HydrophobicContact CB-CG1 4.4Å; A39-D268 HydrophobicContact CB-CB 4.31Å; A39-D268 WeakPolarHBondContact CB-O 3.34Å
40T96.4Very high94.2Very high21 Ų2149 Ų4913%0.12924%0.238CC..  trans-147.1106.6176.8-53.40000108.1K43 N44 H264 G265 D268T40-K43 HydrophobicContact CG2-CB 3.98Å; T40-K43 HydrophobicContact CG2-CD 3.6Å; T40-K43 HydrophobicContact CG2-CG 3.84Å; T40-K43 PolarHBondContact O-N 2.92Å; T40-N44 WeakPolarHBondContact CA-OD1 3.19Å; T40-N44 PolarHBondContact N-OD1 2.95Å; T40-N44 PolarHBondContact O-N 2.76Å; T40-N44 PolarHBondContact O-OD1 3Å; T40-H264 WeakPolarHBondContact CG2-CE1 3.41Å; T40-G265 WeakPolarHBondContact OG1-CA 2.96Å; T40-D268 WeakPolarHBondContact CA-OD2 3.22Å
41L94.8Very high94.4Very high5 Ų548.1 Ų48.13%0.02623%0.234CC..BIsolated β-bridgetrans-57.1142.2-174.2-166.365.3000110.8K43 V45 Y47 V81 E82 V83 H264 D268L41-K43 PolarHBondContact O-N 3.03Å; L41-V45 HydrophobicContact CD1-CG2 4.41Å; L41-Y47 HydrophobicContact CD1-CD2 3.7Å; L41-Y47 HydrophobicContact CD1-CE2 4.27Å; L41-Y47 HydrophobicContact CD1-CG 4.03Å; L41-V81 HydrophobicContact CD2-CB 4.32Å; L41-V81 HydrophobicContact CD2-CG1 4.06Å; L41-V81 WeakPolarHBondContact CD2-O 3.46Å; L41-E82 WeakPolarHBondContact CD2-O 3.36Å; L41-V83 HydrophobicContact CD2-CG2 4.37Å; L41-H264 PolarHBondContact O-CE1 3.28Å; L41-D268 HydrophobicContact CB-CB 4.4Å; L41-D268 PolarHBondContact N-OD2 2.53Å
42R90.3Very high94.6Very high150 Ų15047.5 Ų47.557%0.56623%0.23SC*.THydrogen-bonded Turntrans63.10.1-175.7-50.1-175.2171.8-173.4-6.9115.5V45 E82R42-V45 PolarHBondContact N-O 2.92Å; R42-V45 VanDerWaalsContact N-O 3.12Å; R42-E82 IonicContact CZ-OE1 3.34Å; R42-E82 VanDerWaalsContact NH2-CD 3.28Å; R42-E82 VanDerWaalsContact NH2-CG 3.26Å; R42-E82 IonicContact NH2-OE1 3.13Å; R42-E82 PolarHBondContact NH2-OE1 2.79Å
43K94Very high95Very high163 Ų16347.3 Ų47.371%0.70923%0.228SC*.THydrogen-bonded Turntrans-110.7-56.4173-62.9-166.5-168.5173.10112.6T40 L41T40-K43 HydrophobicContact CG2-CB 3.98Å; T40-K43 HydrophobicContact CG2-CD 3.6Å; T40-K43 HydrophobicContact CG2-CG 3.84Å; T40-K43 PolarHBondContact O-N 2.92Å; L41-K43 PolarHBondContact O-N 3.03Å
44N93.7Very high95.3Very high39 Ų3945.2 Ų45.221%0.20922%0.216CC..THydrogen-bonded Turntrans-129.6-10.9-175.465.62.8000114.3P38 T40 Q117P38-N44 PolarHBondContact O-ND2 3.4Å; T40-N44 WeakPolarHBondContact CA-OD1 3.19Å; T40-N44 PolarHBondContact N-OD1 2.95Å; T40-N44 PolarHBondContact O-N 2.76Å; T40-N44 PolarHBondContact O-OD1 3Å; N44-Q117 PolarHBondContact O-NE2 3.27Å
45V94.9Very high95.6Very high7 Ų739.5 Ų39.54%0.04219%0.19CC..BIsolated β-bridgetrans-129.5146.6173.2-560000110.2A39 L41 R42 Y47 P116 Q117 I190A39-V45 HydrophobicContact CB-CG1 4.07Å; A39-V45 HydrophobicContact CB-CG2 4.19Å; L41-V45 HydrophobicContact CD1-CG2 4.41Å; R42-V45 PolarHBondContact N-O 2.92Å; R42-V45 VanDerWaalsContact N-O 3.12Å; V45-Y47 HydrophobicContact CB-CE1 4Å; V45-Y47 HydrophobicContact CG2-CE1 4.12Å; V45-Y47 HydrophobicContact CG2-CE2 4.26Å; V45-P116 WeakPolarHBondContact CG1-O 3.31Å; V45-Q117 CarbonylContact C-O 3.6Å; V45-Q117 WeakPolarHBondContact CA-O 3.47Å; V45-I190 HydrophobicContact CB-CD1 4.43Å; V45-I190 HydrophobicContact CG1-CD1 3.64Å
46T96.8Very high95.9Very high43 Ų4342.4 Ų42.426%0.26420%0.201SC..EExtended strand (participates in β ladder)trans-127.3120.9174.2-59.70000108.5I48 R80 Q117 W118 I119T46-I48 HydrophobicContact CG2-CD1 3.92Å; T46-I48 HydrophobicContact CG2-CG1 4.39Å; T46-R80 HydrophobicContact CG2-CG 4.34Å; T46-Q117 PolarHBondContact N-O 2.86Å; T46-W118 WeakPolarHBondContact O-CA 3.31Å; T46-I119 PolarHBondContact O-N 2.89Å
47Y98Very high96.1Very high1 Ų147.4 Ų47.40%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-106.4133.8173.1-57.6-28.4000109.8L41 V45 R80 V81 I119 F121 I190 H259 D268 V270L41-Y47 HydrophobicContact CD1-CD2 3.7Å; L41-Y47 HydrophobicContact CD1-CE2 4.27Å; L41-Y47 HydrophobicContact CD1-CG 4.03Å; V45-Y47 HydrophobicContact CB-CE1 4Å; V45-Y47 HydrophobicContact CG2-CE1 4.12Å; V45-Y47 HydrophobicContact CG2-CE2 4.26Å; Y47-R80 WeakPolarHBondContact O-CA 3.24Å; Y47-V81 PolarHBondContact O-N 3Å; Y47-I119 CarbonylContact C-O 3.57Å; Y47-I119 WeakPolarHBondContact CA-O 3.39Å; Y47-I119 HydrophobicContact CD1-CB 4.02Å; Y47-I119 HydrophobicContact CD1-CG1 4.4Å; Y47-I119 HydrophobicContact CE1-CB 4.33Å; Y47-I119 HydrophobicContact CE1-CD1 4.03Å; Y47-I119 HydrophobicContact CE1-CG1 4.25Å; Y47-F121 HydrophobicContact CD1-CE2 4.13Å; Y47-F121 HydrophobicContact CG-CE2 4.03Å; Y47-I190 HydrophobicContact CE1-CD1 4.25Å; Y47-I190 WeakPolarHBondContact OH-CG1 3.39Å; Y47-H259 AromaticContact CE2-NE2 3.86Å; Y47-D268 VanDerWaalsContact CE2-O 3.22Å; Y47-D268 WeakPolarHBondContact CE2-O 3.34Å; Y47-D268 PolarHBondContact OH-O 2.79Å; Y47-V270 HydrophobicContact CE1-CG2 4.29Å; Y47-V270 HydrophobicContact CE2-CG2 3.92Å
48I98.4Very high96.4Very high22 Ų2243.2 Ų43.211%0.11320%0.204CC..EExtended strand (participates in β ladder)trans-117.5136.7177-54-62.6000107.9T46 G79 R80 W118 I119 R120 F121T46-I48 HydrophobicContact CG2-CD1 3.92Å; T46-I48 HydrophobicContact CG2-CG1 4.39Å; I48-G79 WeakPolarHBondContact CA-O 3.36Å; I48-R80 HydrophobicContact CD1-CB 4.3Å; I48-R80 HydrophobicContact CD1-CG 3.4Å; I48-W118 HydrophobicContact CG1-CZ2 3.97Å; I48-I119 PolarHBondContact N-O 2.75Å; I48-R120 HydrophobicContact CB-CB 4.02Å; I48-R120 HydrophobicContact CB-CG 3.92Å; I48-R120 HydrophobicContact CG2-CG 3.89Å; I48-R120 CarbonylContact O-C 3.56Å; I48-R120 VanDerWaalsContact O-CA 3.29Å; I48-R120 WeakPolarHBondContact O-CA 3.43Å; I48-F121 PolarHBondContact O-N 3.24Å
49V98.7Very high96.6Very high1 Ų144 Ų441%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-109.8144.6168.4-65.20000109A78 G79 V81 L87 A90 L91 E94 F121 F123V49-A78 WeakPolarHBondContact O-CA 3.42Å; V49-A78 WeakPolarHBondContact O-CB 3.37Å; V49-G79 PolarHBondContact N-O 3.36Å; V49-G79 PolarHBondContact O-N 2.86Å; V49-G79 VanDerWaalsContact O-N 3.13Å; V49-V81 HydrophobicContact CG1-CG2 3.79Å; V49-L87 HydrophobicContact CG1-CB 4.29Å; V49-L87 HydrophobicContact CG1-CD2 4.42Å; V49-A90 HydrophobicContact CG1-CB 4.13Å; V49-A90 HydrophobicContact CG2-CB 3.85Å; V49-L91 HydrophobicContact CB-CB 4.42Å; V49-L91 HydrophobicContact CG2-CB 4.43Å; V49-E94 HydrophobicContact CG2-CG 3.98Å; V49-F121 WeakPolarHBondContact CA-O 3.48Å; V49-F123 HydrophobicContact CG1-CE2 4.1Å
50C98.7Very high96.7Very high0 Ų044 Ų440%020%0.204CC..EExtended strand (participates in β ladder)trans-138.1129.4177.9179.70000109.5P77 A78 F121 I122 F123C50-P77 WeakPolarHBondContact CA-O 3.04Å; C50-A78 HydrophobicContact CB-CB 3.96Å; C50-F121 PolarHBondContact N-O 3.43Å; C50-I122 HydrophobicContact CB-CG1 4.34Å; C50-F123 PolarHBondContact O-N 3.49Å
51G98.6Very high96.9Very high0 Ų043 Ų430%020%0.198CC..EExtended strand (participates in β ladder)trans-98.912218000000112.4P77G51-P77 PolarHBondContact N-O 3.28Å
52V98.8Very high97Very high0 Ų042.7 Ų42.70%020%0.196CC..EExtended strand (participates in β ladder)trans-98.8118.2162.8-1760000107.3F54 L76 L109 I122 F123 L124 A125 L164V52-F54 HydrophobicContact CG1-CD2 4.49Å; V52-F54 HydrophobicContact CG1-CE1 4.24Å; V52-F54 HydrophobicContact CG1-CE2 3.59Å; V52-F54 HydrophobicContact CG1-CZ 3.42Å; V52-F54 VanDerWaalsContact CG1-CZ 3.42Å; V52-L76 HydrophobicContact CG2-CD1 3.9Å; V52-L109 HydrophobicContact CB-CD1 3.96Å; V52-L109 HydrophobicContact CG1-CD1 4.48Å; V52-L109 HydrophobicContact CG2-CD1 4.01Å; V52-I122 HydrophobicContact CG2-CG2 3.91Å; V52-F123 PolarHBondContact N-O 3.29Å; V52-L124 WeakPolarHBondContact O-CA 3.49Å; V52-A125 PolarHBondContact O-N 2.69Å; V52-L164 HydrophobicContact CG2-CB 4.33Å
53I98.8Very high97.4Very high0 Ų035.6 Ų35.60%017%0.17CC..EExtended strand (participates in β ladder)trans-134.9131.3-175.1-58.8178.3000107.8V60 L61 V95 C103 A125 I127 W147I53-V60 CarbonylContact O-C 3.52Å; I53-V60 WeakPolarHBondContact O-CA 3.31Å; I53-L61 HydrophobicContact CB-CB 4.02Å; I53-L61 HydrophobicContact CB-CD2 4.4Å; I53-L61 HydrophobicContact CD1-CD2 4.04Å; I53-L61 HydrophobicContact CG2-CB 4.45Å; I53-L61 PolarHBondContact O-N 3Å; I53-V95 HydrophobicContact CD1-CG1 3.91Å; I53-V95 HydrophobicContact CD1-CG2 3.94Å; I53-C103 HydrophobicContact CD1-CB 4.36Å; I53-A125 HydrophobicContact CD1-CB 4.11Å; I53-A125 HydrophobicContact CG1-CB 3.88Å; I53-I127 HydrophobicContact CG2-CD1 4.18Å; I53-I127 HydrophobicContact CG2-CG1 3.88Å; I53-W147 HydrophobicContact CG2-CH2 4.02Å; I53-W147 HydrophobicContact CG2-CZ3 4.35Å
54F98.5Very high97.6Very high25 Ų2528.9 Ų28.911%0.1114%0.141CC..BIsolated β-bridgetrans-113.6146.9176.7-57.3-71.9000111V52 E59 V60 L124 I165 G168 L169 H172V52-F54 HydrophobicContact CG1-CD2 4.49Å; V52-F54 HydrophobicContact CG1-CE1 4.24Å; V52-F54 HydrophobicContact CG1-CE2 3.59Å; V52-F54 HydrophobicContact CG1-CZ 3.42Å; V52-F54 VanDerWaalsContact CG1-CZ 3.42Å; F54-E59 VanDerWaalsContact CA-O 3.27Å; F54-E59 WeakPolarHBondContact CA-O 3.4Å; F54-V60 HydrophobicContact CD1-CB 4.09Å; F54-V60 HydrophobicContact CE1-CB 3.94Å; F54-V60 HydrophobicContact CE1-CG2 4.19Å; F54-L124 HydrophobicContact CD2-CD1 4.01Å; F54-L124 HydrophobicContact CE2-CD1 3.91Å; F54-I165 HydrophobicContact CE1-CG2 4.16Å; F54-I165 HydrophobicContact CZ-CG2 4.35Å; F54-G168 VanDerWaalsContact CE2-C 3.47Å; F54-L169 HydrophobicContact CD1-CD2 4.1Å; F54-L169 HydrophobicContact CE1-CD2 3.6Å; F54-L169 HydrophobicContact CE1-CG 3.82Å; F54-L169 HydrophobicContact CE2-CD2 4.37Å; F54-L169 HydrophobicContact CE2-CG 4.41Å; F54-L169 HydrophobicContact CZ-CD2 3.76Å; F54-L169 HydrophobicContact CZ-CG 3.62Å; F54-H172 HydrophobicContact CD2-CB 4.49Å
55N97.5Very high97.8Very high26 Ų2627.2 Ų27.214%0.13913%0.132CC..  trans-86.2-177.5163.769.79.6000111Q57 E58 E59 W147N55-Q57 PolarHBondContact ND2-OE1 2.99Å; N55-Q57 PolarHBondContact O-N 2.9Å; N55-Q57 WeakPolarHBondContact OD1-CA 3.43Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.29Å; N55-Q57 PolarHBondContact OD1-N 3.43Å; N55-E58 PolarHBondContact O-N 2.98Å; N55-E58 VanDerWaalsContact O-N 3.09Å; N55-E58 PolarHBondContact OD1-N 3Å; N55-E59 PolarHBondContact N-O 3.22Å; N55-E59 PolarHBondContact ND2-OE2 3.36Å; N55-E59 WeakPolarHBondContact OD1-CB 3.3Å; N55-E59 PolarHBondContact OD1-N 3.05Å; N55-W147 HydrophobicContact CB-CD2 3.88Å; N55-W147 HydrophobicContact CB-CE3 3.85Å; N55-W147 HydrophobicContact CB-CH2 3.84Å; N55-W147 HydrophobicContact CB-CZ2 3.86Å; N55-W147 HydrophobicContact CB-CZ3 3.82Å; N55-W147 VanDerWaalsContact N-CZ3 3.33Å
56E95.4Very high97.8Very high189 Ų18927.4 Ų27.488%0.88313%0.134SC*.THydrogen-bonded Turntrans-63.7-19.9179.5-63.8-179.4172.100113.4E58E56-E58 VanDerWaalsContact C-N 3.33Å
57Q96.4Very high97.5Very high124 Ų12429.1 Ų29.158%0.57914%0.138SC*.THydrogen-bonded Turntrans-92.19.2177.6-63.873.334.400112.7N55 E59N55-Q57 PolarHBondContact ND2-OE1 2.99Å; N55-Q57 PolarHBondContact O-N 2.9Å; N55-Q57 WeakPolarHBondContact OD1-CA 3.43Å; N55-Q57 WeakPolarHBondContact OD1-CB 3.29Å; N55-Q57 PolarHBondContact OD1-N 3.43Å; Q57-E59 HydrophobicContact CB-CG 4.03Å; Q57-E59 PolarHBondContact O-N 2.84Å
58E96Very high97.1Very high48 Ų4834.5 Ų34.522%0.22417%0.173CC..  trans56.921.3-172-59.7-169.4148.500114.5N55 E56 R150 L169 R173N55-E58 PolarHBondContact O-N 2.98Å; N55-E58 VanDerWaalsContact O-N 3.09Å; N55-E58 PolarHBondContact OD1-N 3Å; E56-E58 VanDerWaalsContact C-N 3.33Å; E58-R150 PolarHBondContact O-NH2 2.71Å; E58-L169 HydrophobicContact CB-CD2 4.41Å; E58-R173 IonicContact OE1-CZ 3.69Å; E58-R173 IonicContact OE1-NE 2.91Å; E58-R173 PolarHBondContact OE1-NE 3.43Å; E58-R173 IonicContact OE1-NH2 3.88Å; E58-R173 IonicContact OE2-CZ 3.5Å; E58-R173 IonicContact OE2-NE 3.52Å; E58-R173 IonicContact OE2-NH2 3.22Å; E58-R173 PolarHBondContact OE2-NH2 2.86Å
59E98.3Very high96.8Very high59 Ų5941.3 Ų41.328%0.27621%0.21SC..PPolyproline II helixtrans-77.2142.5169.2-53.5176.313500108.7F54 N55 Q57 W147 W148F54-E59 VanDerWaalsContact CA-O 3.27Å; F54-E59 WeakPolarHBondContact CA-O 3.4Å; N55-E59 PolarHBondContact N-O 3.22Å; N55-E59 PolarHBondContact ND2-OE2 3.36Å; N55-E59 WeakPolarHBondContact OD1-CB 3.3Å; N55-E59 PolarHBondContact OD1-N 3.05Å; Q57-E59 HydrophobicContact CB-CG 4.03Å; Q57-E59 PolarHBondContact O-N 2.84Å; E59-W147 HydrophobicContact CB-CB 3.91Å; E59-W147 VanDerWaalsContact O-CE3 3.3Å; E59-W147 WeakPolarHBondContact OE2-CB 3.18Å; E59-W148 CarbonylContact C-O 3.56Å; E59-W148 WeakPolarHBondContact CA-O 3.42Å; E59-W148 WeakPolarHBondContact CB-O 3.32Å
60V98.5Very high96.4Very high0 Ų041.7 Ų41.70%021%0.212CC..EExtended strand (participates in β ladder)trans-92.9140.5-177.162.80000111.4I53 F54 M62 L76 W147 W148 R150 I165I53-V60 CarbonylContact O-C 3.52Å; I53-V60 WeakPolarHBondContact O-CA 3.31Å; F54-V60 HydrophobicContact CD1-CB 4.09Å; F54-V60 HydrophobicContact CE1-CB 3.94Å; F54-V60 HydrophobicContact CE1-CG2 4.19Å; V60-M62 HydrophobicContact CG1-CG 4.08Å; V60-M62 HydrophobicContact CG1-SD 3.85Å; V60-M62 HydrophobicContact CG2-SD 4.46Å; V60-M62 PolarHBondContact O-N 3.35Å; V60-L76 HydrophobicContact CG2-CD2 3.65Å; V60-W147 CarbonylContact O-C 3.43Å; V60-W147 WeakPolarHBondContact O-CA 3.28Å; V60-W148 HydrophobicContact CG1-CB 4.16Å; V60-W148 HydrophobicContact CG1-CE3 3.83Å; V60-W148 PolarHBondContact N-O 3.37Å; V60-W148 PolarHBondContact O-N 2.77Å; V60-R150 HydrophobicContact CG1-CG 4.07Å; V60-I165 HydrophobicContact CG1-CD1 4.1Å; V60-I165 HydrophobicContact CG2-CD1 4.45Å; V60-I165 HydrophobicContact CG2-CG1 4.18Å
61L98.8Very high96.2Very high0 Ų047.6 Ų47.60%024%0.235CC..EExtended strand (participates in β ladder)trans-70.2122.7172.7-175.862.7000110.1I53 P77 A99 F101 A145 W147I53-L61 HydrophobicContact CB-CB 4.02Å; I53-L61 HydrophobicContact CB-CD2 4.4Å; I53-L61 HydrophobicContact CD1-CD2 4.04Å; I53-L61 HydrophobicContact CG2-CB 4.45Å; I53-L61 PolarHBondContact O-N 3Å; L61-P77 HydrophobicContact CD2-CG 4.03Å; L61-P77 HydrophobicContact CG-CG 4.21Å; L61-A99 HydrophobicContact CD1-CB 4.34Å; L61-A99 HydrophobicContact CD2-CB 3.84Å; L61-A99 HydrophobicContact CG-CB 4.35Å; L61-F101 HydrophobicContact CD1-CD2 4.16Å; L61-F101 HydrophobicContact CD1-CE2 3.88Å; L61-F101 HydrophobicContact CD2-CD2 3.96Å; L61-F101 HydrophobicContact CD2-CE2 4.47Å; L61-A145 HydrophobicContact CD1-CB 4.14Å; L61-W147 HydrophobicContact CB-CE3 4.05Å; L61-W147 HydrophobicContact CB-CH2 4.08Å; L61-W147 HydrophobicContact CB-CZ3 3.61Å; L61-W147 HydrophobicContact CD1-CH2 4.5Å
62M98.7Very high96.1Very high0 Ų053.2 Ų53.20%026%0.26CS..EExtended strand (participates in β ladder)trans-120.8146.9177.3-59.7-62.8-66.800109.7V60 W74 Y75 L76 A145 S146 W148 L154 L156 I161V60-M62 HydrophobicContact CG1-CG 4.08Å; V60-M62 HydrophobicContact CG1-SD 3.85Å; V60-M62 HydrophobicContact CG2-SD 4.46Å; V60-M62 PolarHBondContact O-N 3.35Å; M62-W74 HydrophobicContact CB-CE3 3.65Å; M62-W74 HydrophobicContact CB-CZ3 4.16Å; M62-W74 HydrophobicContact CE-CB 4.13Å; M62-Y75 WeakPolarHBondContact CA-O 3.28Å; M62-L76 HydrophobicContact SD-CD2 3.94Å; M62-A145 CarbonylContact O-C 3.25Å; M62-A145 WeakPolarHBondContact O-CA 3.47Å; M62-A145 WeakPolarHBondContact O-CB 3.36Å; M62-S146 PolarHBondContact N-O 2.99Å; M62-S146 PolarHBondContact O-N 2.8Å; M62-W148 HydrophobicContact CE-CE3 4.24Å; M62-W148 HydrophobicContact CG-CB 3.54Å; M62-W148 HydrophobicContact CG-CD2 4.43Å; M62-W148 HydrophobicContact CG-CE3 4.1Å; M62-W148 HydrophobicContact CG-CG 4.28Å; M62-W148 HydrophobicContact SD-CE3 4Å; M62-L154 HydrophobicContact CB-CD2 4.42Å; M62-L154 HydrophobicContact CE-CD2 4.1Å; M62-L154 HydrophobicContact CG-CD2 4.19Å; M62-L156 HydrophobicContact CE-CD2 3.92Å; M62-I161 HydrophobicContact CE-CD1 3.69Å
63V98.5Very high96Very high1 Ų155.9 Ų55.91%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-117.7145.3173.9-63.50000110W74 Y75 P77 E98 A99 A145V63-W74 VanDerWaalsContact C-CE3 3.44Å; V63-W74 VanDerWaalsContact O-CA 3.31Å; V63-W74 WeakPolarHBondContact O-CA 3.45Å; V63-Y75 PolarHBondContact N-O 3.45Å; V63-Y75 PolarHBondContact O-N 2.98Å; V63-P77 HydrophobicContact CG1-CB 4.38Å; V63-P77 HydrophobicContact CG1-CG 3.92Å; V63-E98 HydrophobicContact CB-CB 4.29Å; V63-E98 HydrophobicContact CG1-CB 3.84Å; V63-E98 WeakPolarHBondContact CG1-O 3.27Å; V63-E98 HydrophobicContact CG2-CB 4.4Å; V63-A99 HydrophobicContact CG1-CB 3.83Å; V63-A145 HydrophobicContact CG1-CB 4.13Å
64Q98.3Very high96Very high21 Ų2157 Ų5710%0.09828%0.277CS..EExtended strand (participates in β ladder)trans-100120.2178.3-168.3175.940.800110.4K72 Q73 W74 S142 L143 Q144Q64-K72 PolarHBondContact NE2-O 2.59Å; Q64-Q73 WeakPolarHBondContact CA-O 3.48Å; Q64-W74 HydrophobicContact CB-CD2 3.87Å; Q64-W74 HydrophobicContact CB-CE3 3.93Å; Q64-W74 HydrophobicContact CB-CH2 3.94Å; Q64-W74 HydrophobicContact CB-CZ2 3.84Å; Q64-W74 HydrophobicContact CB-CZ3 3.96Å; Q64-W74 HydrophobicContact CG-CD2 4.21Å; Q64-W74 HydrophobicContact CG-CZ2 4.17Å; Q64-S142 WeakPolarHBondContact O-CA 3.32Å; Q64-S142 WeakPolarHBondContact O-CB 3.49Å; Q64-L143 HydrophobicContact CB-CB 4.29Å; Q64-L143 HydrophobicContact CG-CB 4.4Å; Q64-L143 HydrophobicContact CG-CD1 4.21Å; Q64-L143 PolarHBondContact O-N 3.47Å; Q64-Q144 HydrophobicContact CB-CG 3.88Å; Q64-Q144 PolarHBondContact N-O 3.4Å
65E96.9Very high96Very high4 Ų456.6 Ų56.62%0.01927%0.274CS..EExtended strand (participates in β ladder)trans-67.1133.3-172.6-68.5-85.8-165.600112.7K67 C70 K72 Q73 R157E65-K67 IonicContact OE2-NZ 3.68Å; E65-C70 HydrophobicContact CB-CB 4.45Å; E65-C70 VanDerWaalsContact CB-O 3.29Å; E65-C70 WeakPolarHBondContact CB-O 3.44Å; E65-K72 PolarHBondContact O-N 3.1Å; E65-Q73 WeakPolarHBondContact CB-O 3.32Å; E65-Q73 PolarHBondContact N-O 2.84Å; E65-R157 WeakPolarHBondContact OE1-CD 3.37Å; E65-R157 IonicContact OE1-CZ 2.97Å; E65-R157 IonicContact OE1-NE 3.69Å; E65-R157 IonicContact OE1-NH1 3.99Å; E65-R157 PolarHBondContact OE1-NH1 3Å; E65-R157 IonicContact OE2-NH1 3.62Å
66A95Very high96.1Very high11 Ų1155.4 Ų55.49%0.09127%0.268CS..  trans-94.7-11.3173.500000113.4Y71 D139 L143A66-Y71 WeakPolarHBondContact O-CD2 3.35Å; A66-D139 WeakPolarHBondContact CB-O 3.5Å; A66-L143 HydrophobicContact CB-CD2 3.85Å; A66-L143 HydrophobicContact CB-CG 4.1Å
67K91.2Very high96.2Very high79 Ų7946.4 Ų46.434%0.34323%0.226SC..SBendtrans-69.5139.3-177.6-69.5167-173.5127.20111.6E65 D69 C70 Y71E65-K67 IonicContact OE2-NZ 3.68Å; K67-D69 VanDerWaalsContact C-N 3.34Å; K67-D69 PolarHBondContact O-N 3.02Å; K67-C70 CarbonylContact O-C 3.59Å; K67-C70 PolarHBondContact O-N 3.33Å; K67-Y71 WeakPolarHBondContact O-CA 3.48Å; K67-Y71 WeakPolarHBondContact O-CB 2.94Å; K67-Y71 PolarHBondContact O-N 3.34Å
68P89.6Confident96.3Very high114 Ų11441 Ų4174%0.7420%0.203SC*.G310 helixtrans-54.4-42.6-176.2-28.735.5000114.9C70 Y71P68-C70 VanDerWaalsContact C-N 3.26Å; P68-C70 PolarHBondContact O-N 2.87Å; P68-Y71 PolarHBondContact O-N 2.86Å
69D91.3Very high96.4Very high166 Ų16639.3 Ų39.389%0.88820%0.198SC*.G310 helixtrans-69.4-22.2-174-61.3-26.2000113.8K67K67-D69 VanDerWaalsContact C-N 3.34Å; K67-D69 PolarHBondContact O-N 3.02Å
70C91.2Very high96.4Very high8 Ų844.6 Ų44.65%0.05422%0.215CC..G310 helixtrans-132.528-179.753.30000111.8E65 K67 P68 K72 Q73 R157E65-C70 HydrophobicContact CB-CB 4.45Å; E65-C70 VanDerWaalsContact CB-O 3.29Å; E65-C70 WeakPolarHBondContact CB-O 3.44Å; K67-C70 CarbonylContact O-C 3.59Å; K67-C70 PolarHBondContact O-N 3.33Å; P68-C70 VanDerWaalsContact C-N 3.26Å; P68-C70 PolarHBondContact O-N 2.87Å; C70-K72 PolarHBondContact O-N 2.96Å; C70-Q73 VanDerWaalsContact CA-OE1 3.28Å; C70-Q73 HydrophobicContact CB-CB 4.47Å; C70-Q73 VanDerWaalsContact O-CB 3.25Å; C70-Q73 WeakPolarHBondContact O-CB 3.49Å; C70-Q73 WeakPolarHBondContact O-CG 3.37Å; C70-Q73 PolarHBondContact O-N 2.85Å; C70-R157 HydrophobicContact CB-CB 4.49Å; C70-R157 HydrophobicContact CB-CG 3.81Å
71Y94.5Very high96.4Very high124 Ų12444.7 Ų44.749%0.48622%0.216SC..THydrogen-bonded Turntrans-56.6131.5-171-173.6-110.6000111.6A66 K67 P68 Q73 L143A66-Y71 WeakPolarHBondContact O-CD2 3.35Å; K67-Y71 WeakPolarHBondContact O-CA 3.48Å; K67-Y71 WeakPolarHBondContact O-CB 2.94Å; K67-Y71 PolarHBondContact O-N 3.34Å; P68-Y71 PolarHBondContact O-N 2.86Å; Y71-Q73 PolarHBondContact O-N 2.93Å; Y71-Q73 VanDerWaalsContact O-N 3.13Å; Y71-L143 HydrophobicContact CD2-CD1 4.46Å; Y71-L143 HydrophobicContact CE2-CD1 3.87Å; Y71-L143 HydrophobicContact CE2-CD2 4.09Å; Y71-L143 HydrophobicContact CE2-CG 4.47Å
72K95.8Very high96.3Very high118 Ų11848.6 Ų48.651%0.51323%0.234SC..THydrogen-bonded Turntrans64.42.4-177.1-68.3175.7172.2179.50116.1Q64 E65 C70 L143Q64-K72 PolarHBondContact NE2-O 2.59Å; E65-K72 PolarHBondContact O-N 3.1Å; C70-K72 PolarHBondContact O-N 2.96Å; K72-L143 HydrophobicContact CG-CD1 3.68Å
73Q97.7Very high96.2Very high57 Ų5751.6 Ų51.627%0.26625%0.253SS..  trans-76.5157169.5-59.5-177.5-42.800110.3Q64 E65 C70 Y71 S155 R157Q64-Q73 WeakPolarHBondContact CA-O 3.48Å; E65-Q73 WeakPolarHBondContact CB-O 3.32Å; E65-Q73 PolarHBondContact N-O 2.84Å; C70-Q73 VanDerWaalsContact CA-OE1 3.28Å; C70-Q73 HydrophobicContact CB-CB 4.47Å; C70-Q73 VanDerWaalsContact O-CB 3.25Å; C70-Q73 WeakPolarHBondContact O-CB 3.49Å; C70-Q73 WeakPolarHBondContact O-CG 3.37Å; C70-Q73 PolarHBondContact O-N 2.85Å; Y71-Q73 PolarHBondContact O-N 2.93Å; Y71-Q73 VanDerWaalsContact O-N 3.13Å; Q73-S155 CarbonylContact C-O 3.46Å; Q73-S155 VanDerWaalsContact CA-O 3.27Å; Q73-S155 WeakPolarHBondContact CA-O 3.27Å; Q73-R157 HydrophobicContact CB-CB 3.83Å
74W98.4Very high96Very high24 Ų2453 Ų539%0.09127%0.266CS..EExtended strand (participates in β ladder)trans-108.4142.4-176.5-68.582.7000111.8M62 V63 Q64 Q144 L154 S155 L156 R157M62-W74 HydrophobicContact CB-CE3 3.65Å; M62-W74 HydrophobicContact CB-CZ3 4.16Å; M62-W74 HydrophobicContact CE-CB 4.13Å; V63-W74 VanDerWaalsContact C-CE3 3.44Å; V63-W74 VanDerWaalsContact O-CA 3.31Å; V63-W74 WeakPolarHBondContact O-CA 3.45Å; Q64-W74 HydrophobicContact CB-CD2 3.87Å; Q64-W74 HydrophobicContact CB-CE3 3.93Å; Q64-W74 HydrophobicContact CB-CH2 3.94Å; Q64-W74 HydrophobicContact CB-CZ2 3.84Å; Q64-W74 HydrophobicContact CB-CZ3 3.96Å; Q64-W74 HydrophobicContact CG-CD2 4.21Å; Q64-W74 HydrophobicContact CG-CZ2 4.17Å; W74-Q144 HydrophobicContact CH2-CG 3.83Å; W74-Q144 HydrophobicContact CZ2-CG 4.29Å; W74-L154 HydrophobicContact CB-CD1 4.47Å; W74-L154 HydrophobicContact CB-CD2 3.52Å; W74-L154 HydrophobicContact CB-CG 3.76Å; W74-L154 HydrophobicContact CD2-CD1 3.88Å; W74-L154 HydrophobicContact CD2-CD2 4Å; W74-L154 HydrophobicContact CD2-CG 4.14Å; W74-L154 HydrophobicContact CE3-CD2 4.44Å; W74-L154 HydrophobicContact CG-CD1 3.73Å; W74-L154 HydrophobicContact CG-CD2 3.62Å; W74-L154 HydrophobicContact CG-CG 3.54Å; W74-L154 HydrophobicContact CZ2-CD1 4.47Å; W74-S155 PolarHBondContact N-O 3.48Å; W74-L156 HydrophobicContact CB-CD2 4.34Å; W74-L156 CarbonylContact O-C 3.21Å; W74-L156 WeakPolarHBondContact O-CA 3.47Å; W74-R157 PolarHBondContact O-N 3.35Å
75Y98.5Very high96Very high15 Ų1553 Ų536%0.05927%0.267CS..EExtended strand (participates in β ladder)trans-146.8172.3178.5-150.2-115.8000111M62 V63 A78 R120 R157 D160 I161M62-Y75 WeakPolarHBondContact CA-O 3.28Å; V63-Y75 PolarHBondContact N-O 3.45Å; V63-Y75 PolarHBondContact O-N 2.98Å; Y75-A78 HydrophobicContact CD1-CB 4.35Å; Y75-A78 HydrophobicContact CE1-CB 4.34Å; Y75-R120 PolarHBondContact OH-NH1 3.03Å; Y75-R157 HydrophobicContact CD2-CB 3.83Å; Y75-R157 HydrophobicContact CD2-CG 4.32Å; Y75-R157 HydrophobicContact CG-CB 4.35Å; Y75-D160 VanDerWaalsContact OH-CG 3.28Å; Y75-D160 PolarHBondContact OH-OD1 3.35Å; Y75-D160 VanDerWaalsContact OH-OD1 3.08Å; Y75-D160 PolarHBondContact OH-OD2 3.41Å; Y75-I161 HydrophobicContact CD1-CG2 4.3Å; Y75-I161 HydrophobicContact CD2-CD1 3.99Å; Y75-I161 HydrophobicContact CD2-CG2 3.66Å; Y75-I161 HydrophobicContact CE1-CG2 3.82Å; Y75-I161 HydrophobicContact CE2-CB 4.38Å; Y75-I161 HydrophobicContact CE2-CD1 4.36Å; Y75-I161 HydrophobicContact CE2-CG2 3.13Å; Y75-I161 HydrophobicContact CG-CG2 4.22Å; Y75-I161 WeakPolarHBondContact OH-CG2 3.26Å
76L98.6Very high96Very high1 Ų153.5 Ų53.51%0.00527%0.271CS..  trans-71.4150166.6-67.7173.9000109.4V52 V60 M62 A78 I161 L164 I165V52-L76 HydrophobicContact CG2-CD1 3.9Å; V60-L76 HydrophobicContact CG2-CD2 3.65Å; M62-L76 HydrophobicContact SD-CD2 3.94Å; L76-A78 PolarHBondContact O-N 3.17Å; L76-A78 VanDerWaalsContact O-N 3.12Å; L76-I161 HydrophobicContact CB-CG2 4.44Å; L76-I161 HydrophobicContact CD1-CB 3.83Å; L76-I161 HydrophobicContact CD1-CG2 3.87Å; L76-I161 HydrophobicContact CG-CB 4.02Å; L76-I161 HydrophobicContact CG-CG2 3.98Å; L76-L164 HydrophobicContact CD1-CB 4.12Å; L76-L164 HydrophobicContact CD1-CD1 4.22Å; L76-I165 HydrophobicContact CD1-CG1 4.33Å; L76-I165 HydrophobicContact CD2-CD1 4.29Å; L76-I165 HydrophobicContact CD2-CG1 4.1Å
77P98.5Very high96.1Very high0 Ų053 Ų530%027%0.266CS..SBendtrans-53.8119.5170.9-20.628000110.4C50 G51 L61 V63 V95 E98C50-P77 WeakPolarHBondContact CA-O 3.04Å; G51-P77 PolarHBondContact N-O 3.28Å; L61-P77 HydrophobicContact CD2-CG 4.03Å; L61-P77 HydrophobicContact CG-CG 4.21Å; V63-P77 HydrophobicContact CG1-CB 4.38Å; V63-P77 HydrophobicContact CG1-CG 3.92Å; P77-V95 HydrophobicContact CB-CG2 3.92Å; P77-V95 HydrophobicContact CG-CG2 4.48Å; P77-E98 WeakPolarHBondContact CA-OE2 3.29Å
78A98.3Very high96.5Very high12 Ų1250.6 Ų50.610%0.09926%0.256CS..EExtended strand (participates in β ladder)trans-163.7133.6-172.400000113.2V49 C50 Y75 L76 E98V49-A78 WeakPolarHBondContact O-CA 3.42Å; V49-A78 WeakPolarHBondContact O-CB 3.37Å; C50-A78 HydrophobicContact CB-CB 3.96Å; Y75-A78 HydrophobicContact CD1-CB 4.35Å; Y75-A78 HydrophobicContact CE1-CB 4.34Å; L76-A78 PolarHBondContact O-N 3.17Å; L76-A78 VanDerWaalsContact O-N 3.12Å; A78-E98 PolarHBondContact N-OE2 3.46Å
79G97.5Very high96.9Very high12 Ų1248.2 Ų48.212%0.12424%0.236CC..EExtended strand (participates in β ladder)trans-161.2-172.3174.900000114.1I48 V49 E94I48-G79 WeakPolarHBondContact CA-O 3.36Å; V49-G79 PolarHBondContact N-O 3.36Å; V49-G79 PolarHBondContact O-N 2.86Å; V49-G79 VanDerWaalsContact O-N 3.13Å; G79-E94 WeakPolarHBondContact CA-OE1 3.4Å; G79-E94 WeakPolarHBondContact CA-OE2 3.44Å
80R98Very high97.2Very high170 Ų17040.3 Ų40.364%0.64219%0.193SC*.EExtended strand (participates in β ladder)trans-85.7137.6-172-75.7174.3-179.21742.4109.1T46 Y47 I48 E82 R93 E94T46-R80 HydrophobicContact CG2-CG 4.34Å; Y47-R80 WeakPolarHBondContact O-CA 3.24Å; I48-R80 HydrophobicContact CD1-CB 4.3Å; I48-R80 HydrophobicContact CD1-CG 3.4Å; R80-E82 PolarHBondContact O-N 2.86Å; R80-R93 PolarHBondContact O-NH2 3.21Å; R80-E94 PolarHBondContact N-OE1 3.35Å
81V98.2Very high97.6Very high2 Ų240 Ų401%0.01219%0.191CC..PPolyproline II helixtrans-63.3133.8168.6-175.40000108.9L41 Y47 V49 E85 L87 A90L41-V81 HydrophobicContact CD2-CB 4.32Å; L41-V81 HydrophobicContact CD2-CG1 4.06Å; L41-V81 WeakPolarHBondContact CD2-O 3.46Å; Y47-V81 PolarHBondContact O-N 3Å; V49-V81 HydrophobicContact CG1-CG2 3.79Å; V81-E85 HydrophobicContact CG1-CG 3.99Å; V81-L87 HydrophobicContact CG1-CD2 4.4Å; V81-L87 HydrophobicContact CG2-CD2 3.7Å; V81-A90 HydrophobicContact CB-CB 4.3Å; V81-A90 HydrophobicContact CG1-CB 4.19Å; V81-A90 HydrophobicContact CG2-CB 3.95Å
82E97.3Very high97.8Very high81 Ų8138.9 Ų38.938%0.37919%0.186SC..PPolyproline II helixtrans-89.8165.9174.9-52-142.3115.300112.4L41 R42 R80 G84 E85L41-E82 WeakPolarHBondContact CD2-O 3.36Å; R42-E82 IonicContact CZ-OE1 3.34Å; R42-E82 VanDerWaalsContact NH2-CD 3.28Å; R42-E82 VanDerWaalsContact NH2-CG 3.26Å; R42-E82 IonicContact NH2-OE1 3.13Å; R42-E82 PolarHBondContact NH2-OE1 2.79Å; R80-E82 PolarHBondContact O-N 2.86Å; E82-G84 PolarHBondContact O-N 3Å; E82-E85 HydrophobicContact CB-CG 4.01Å; E82-E85 PolarHBondContact N-OE1 3.13Å; E82-E85 WeakPolarHBondContact O-CG 3.45Å
83V97Very high97.9Very high64 Ų6435.2 Ų35.239%0.38817%0.169SC..THydrogen-bonded Turntrans-72.8128.3178.1173.20000109.5L41 H264L41-V83 HydrophobicContact CD2-CG2 4.37Å; V83-H264 HydrophobicContact CG1-CB 3.56Å
84G95.3Very high98Very high29 Ų2933.1 Ų33.130%0.29916%0.159SC..THydrogen-bonded Turntrans96.7-9.7175.400000114.9E82 G261 R262E82-G84 PolarHBondContact O-N 3Å; G84-G261 CarbonylContact C-O 3.59Å; G84-G261 WeakPolarHBondContact CA-O 3.31Å; G84-G261 PolarHBondContact N-O 2.72Å; G84-R262 WeakPolarHBondContact O-CD 3.05Å; G84-R262 PolarHBondContact O-NH1 3.05Å
85E96.3Very high98Very high22 Ų2232 Ų3210%0.10316%0.155CC..  trans-98.8152.2176.764.4177.4-166.100112.8V81 E82 E89 A90 R93V81-E85 HydrophobicContact CG1-CG 3.99Å; E82-E85 HydrophobicContact CB-CG 4.01Å; E82-E85 PolarHBondContact N-OE1 3.13Å; E82-E85 WeakPolarHBondContact O-CG 3.45Å; E85-E89 WeakPolarHBondContact CA-OE2 3.41Å; E85-E89 HydrophobicContact CB-CB 3.93Å; E85-A90 VanDerWaalsContact CD-CA 3.5Å; E85-A90 HydrophobicContact CG-CB 4.19Å; E85-A90 VanDerWaalsContact OE1-CA 3.32Å; E85-A90 WeakPolarHBondContact OE1-CA 3.25Å; E85-A90 WeakPolarHBondContact OE1-CB 3.49Å; E85-R93 IonicContact OE1-CZ 2.83Å; E85-R93 IonicContact OE1-NE 3.53Å; E85-R93 PolarHBondContact OE1-NE 2.82Å; E85-R93 IonicContact OE1-NH2 3.85Å; E85-R93 PolarHBondContact OE1-NH2 3.34Å; E85-R93 IonicContact OE2-CZ 3.46Å; E85-R93 IonicContact OE2-NE 3.24Å; E85-R93 PolarHBondContact OE2-NE 2.68Å; E85-R93 IonicContact OE2-NH2 2.72Å
86S97.2Very high98Very high15 Ų1535.4 Ų35.411%0.10517%0.17CC..  trans-74.8166.2165.557.20000111E88 E89 A90S86-E88 PolarHBondContact O-N 3.07Å; S86-E89 PolarHBondContact N-OE2 3.45Å; S86-E89 PolarHBondContact O-N 3.35Å; S86-E89 WeakPolarHBondContact OG-CB 3.21Å; S86-E89 WeakPolarHBondContact OG-CG 3.48Å; S86-E89 PolarHBondContact OG-N 3.33Å; S86-E89 VanDerWaalsContact OG-N 3.15Å; S86-E89 PolarHBondContact OG-OE2 3.18Å; S86-A90 WeakPolarHBondContact O-CB 3.49Å; S86-A90 PolarHBondContact O-N 2.97Å
87L98.2Very high98Very high0 Ų038.7 Ų38.70%019%0.185CC..Hα-helixtrans-63.5-34.6176.4-57.8178000110.8V49 V81 L91 F121 F123 P182 L257 H259V49-L87 HydrophobicContact CG1-CB 4.29Å; V49-L87 HydrophobicContact CG1-CD2 4.42Å; V81-L87 HydrophobicContact CG1-CD2 4.4Å; V81-L87 HydrophobicContact CG2-CD2 3.7Å; L87-L91 WeakPolarHBondContact O-CB 3.48Å; L87-L91 PolarHBondContact O-N 3.33Å; L87-F121 HydrophobicContact CD1-CD1 3.96Å; L87-F121 HydrophobicContact CD1-CD2 3.85Å; L87-F121 HydrophobicContact CD1-CE1 4Å; L87-F121 HydrophobicContact CD1-CE2 3.88Å; L87-F121 HydrophobicContact CD1-CG 3.89Å; L87-F121 HydrophobicContact CD1-CZ 3.95Å; L87-F121 HydrophobicContact CD2-CD2 3.83Å; L87-F121 HydrophobicContact CD2-CE2 3.85Å; L87-F121 HydrophobicContact CG-CD2 4.44Å; L87-F123 HydrophobicContact CB-CE2 4.28Å; L87-F123 HydrophobicContact CB-CZ 3.98Å; L87-P182 HydrophobicContact CB-CG 4.14Å; L87-P182 HydrophobicContact CD1-CB 4.38Å; L87-P182 HydrophobicContact CD1-CG 3.84Å; L87-P182 HydrophobicContact CG-CG 4.44Å; L87-L257 HydrophobicContact CD1-CD2 3.99Å; L87-H259 HydrophobicContact CD1-CB 4.29Å
88E98.4Very high98Very high28 Ų2838.8 Ų38.813%0.13119%0.186CC..Hα-helixtrans-72.3-38.7178.2-59.796.8128.500112.4S86 L91 R92 P105 F123 P182S86-E88 PolarHBondContact O-N 3.07Å; E88-L91 PolarHBondContact O-N 3.06Å; E88-R92 VanDerWaalsContact O-CG 3.29Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 2.85Å; E88-P105 HydrophobicContact CB-CG 4.08Å; E88-P105 HydrophobicContact CG-CG 3.87Å; E88-F123 HydrophobicContact CG-CE1 4.4Å; E88-P182 WeakPolarHBondContact OE1-CD 3.46Å
89E98.4Very high98Very high65 Ų6538.2 Ų38.230%0.30418%0.181SC..Hα-helixtrans-64.5-44.2172.2-76.5160.9165.400111.1E85 S86 L91 R92 R93 R262E85-E89 WeakPolarHBondContact CA-OE2 3.41Å; E85-E89 HydrophobicContact CB-CB 3.93Å; S86-E89 PolarHBondContact N-OE2 3.45Å; S86-E89 PolarHBondContact O-N 3.35Å; S86-E89 WeakPolarHBondContact OG-CB 3.21Å; S86-E89 WeakPolarHBondContact OG-CG 3.48Å; S86-E89 PolarHBondContact OG-N 3.33Å; S86-E89 VanDerWaalsContact OG-N 3.15Å; S86-E89 PolarHBondContact OG-OE2 3.18Å; E89-L91 VanDerWaalsContact C-N 3.32Å; E89-L91 PolarHBondContact O-N 3.39Å; E89-R92 PolarHBondContact O-N 3.23Å; E89-R93 WeakPolarHBondContact O-CB 3.49Å; E89-R93 PolarHBondContact O-N 3.4Å; E89-R262 VanDerWaalsContact CD-NH2 3.29Å; E89-R262 IonicContact OE1-CZ 3.6Å; E89-R262 IonicContact OE1-NH1 2.71Å; E89-R262 PolarHBondContact OE1-NH1 2.78Å; E89-R262 IonicContact OE1-NH2 2.8Å; E89-R262 PolarHBondContact OE1-NH2 2.8Å; E89-R262 IonicContact OE2-CZ 2.67Å; E89-R262 VanDerWaalsContact OE2-CZ 3.23Å; E89-R262 IonicContact OE2-NH1 2.99Å; E89-R262 PolarHBondContact OE2-NH1 3.41Å; E89-R262 IonicContact OE2-NH2 3.07Å; E89-R262 PolarHBondContact OE2-NH2 2.96Å; E89-R262 VanDerWaalsContact OE2-NH2 3.09Å
90A98.5Very high98Very high0 Ų038.4 Ų38.40%018%0.183CC..Hα-helixtrans-55.1-49.2173.700000110.9V49 V81 E85 S86 R92 R93 E94V49-A90 HydrophobicContact CG1-CB 4.13Å; V49-A90 HydrophobicContact CG2-CB 3.85Å; V81-A90 HydrophobicContact CB-CB 4.3Å; V81-A90 HydrophobicContact CG1-CB 4.19Å; V81-A90 HydrophobicContact CG2-CB 3.95Å; E85-A90 VanDerWaalsContact CD-CA 3.5Å; E85-A90 HydrophobicContact CG-CB 4.19Å; E85-A90 VanDerWaalsContact OE1-CA 3.32Å; E85-A90 WeakPolarHBondContact OE1-CA 3.25Å; E85-A90 WeakPolarHBondContact OE1-CB 3.49Å; S86-A90 WeakPolarHBondContact O-CB 3.49Å; S86-A90 PolarHBondContact O-N 2.97Å; A90-R92 VanDerWaalsContact C-N 3.32Å; A90-R92 PolarHBondContact O-N 2.91Å; A90-R93 PolarHBondContact O-N 3.29Å; A90-E94 VanDerWaalsContact O-CG 3.22Å; A90-E94 WeakPolarHBondContact O-CG 3.31Å; A90-E94 PolarHBondContact O-N 2.89Å
91L98.8Very high98Very high1 Ų131.2 Ų31.21%0.00516%0.156CC..Hα-helixtrans-58.1-45178.8178.472.8000111.9V49 L87 E88 E89 V95 P105 F123 A125V49-L91 HydrophobicContact CB-CB 4.42Å; V49-L91 HydrophobicContact CG2-CB 4.43Å; L87-L91 WeakPolarHBondContact O-CB 3.48Å; L87-L91 PolarHBondContact O-N 3.33Å; E88-L91 PolarHBondContact O-N 3.06Å; E89-L91 VanDerWaalsContact C-N 3.32Å; E89-L91 PolarHBondContact O-N 3.39Å; L91-V95 HydrophobicContact CD1-CG2 4.38Å; L91-V95 WeakPolarHBondContact O-CB 3.42Å; L91-V95 VanDerWaalsContact O-CG2 3.27Å; L91-V95 WeakPolarHBondContact O-CG2 3.17Å; L91-V95 PolarHBondContact O-N 2.82Å; L91-P105 HydrophobicContact CD2-CB 3.8Å; L91-P105 HydrophobicContact CD2-CG 4.48Å; L91-F123 HydrophobicContact CD1-CB 4.18Å; L91-F123 HydrophobicContact CD1-CD2 4.26Å; L91-F123 HydrophobicContact CD2-CB 3.49Å; L91-F123 VanDerWaalsContact CD2-CB 3.49Å; L91-F123 HydrophobicContact CD2-CD1 4.15Å; L91-F123 HydrophobicContact CD2-CD2 3.98Å; L91-F123 HydrophobicContact CD2-CG 3.63Å; L91-F123 HydrophobicContact CG-CB 4.46Å; L91-F123 HydrophobicContact CG-CD2 4.49Å; L91-A125 HydrophobicContact CD2-CB 4.19Å
92R98.8Very high98.1Very high100 Ų10034.3 Ų34.338%0.37717%0.173SC..Hα-helixtrans-64.1-42.8179.2-70-179.2-161.8111.7-0.2111.6E88 E89 A90 K96 C103E88-R92 VanDerWaalsContact O-CG 3.29Å; E88-R92 WeakPolarHBondContact O-CG 3.43Å; E88-R92 PolarHBondContact O-N 2.85Å; E89-R92 PolarHBondContact O-N 3.23Å; A90-R92 VanDerWaalsContact C-N 3.32Å; A90-R92 PolarHBondContact O-N 2.91Å; R92-K96 VanDerWaalsContact O-CB 3.3Å; R92-K96 WeakPolarHBondContact O-CB 3.43Å; R92-K96 PolarHBondContact O-N 3.05Å; R92-C103 WeakPolarHBondContact CG-O 3.49Å
93R98.6Very high98.1Very high42 Ų4230.7 Ų30.716%0.15816%0.156CC..Hα-helixtrans-61.3-52.8177.6179.2-176.652.866.35.3110.8R80 E85 E89 A90 V95 K96 E97R80-R93 PolarHBondContact O-NH2 3.21Å; E85-R93 IonicContact OE1-CZ 2.83Å; E85-R93 IonicContact OE1-NE 3.53Å; E85-R93 PolarHBondContact OE1-NE 2.82Å; E85-R93 IonicContact OE1-NH2 3.85Å; E85-R93 PolarHBondContact OE1-NH2 3.34Å; E85-R93 IonicContact OE2-CZ 3.46Å; E85-R93 IonicContact OE2-NE 3.24Å; E85-R93 PolarHBondContact OE2-NE 2.68Å; E85-R93 IonicContact OE2-NH2 2.72Å; E89-R93 WeakPolarHBondContact O-CB 3.49Å; E89-R93 PolarHBondContact O-N 3.4Å; A90-R93 PolarHBondContact O-N 3.29Å; R93-V95 PolarHBondContact O-N 3.34Å; R93-K96 WeakPolarHBondContact O-CB 3.39Å; R93-K96 PolarHBondContact O-N 2.83Å; R93-E97 WeakPolarHBondContact CD-OE1 3.47Å; R93-E97 HydrophobicContact CG-CG 4.24Å; R93-E97 WeakPolarHBondContact CG-OE1 3.27Å; R93-E97 WeakPolarHBondContact CG-OE2 3.25Å; R93-E97 IonicContact NH1-OE2 2.7Å; R93-E97 PolarHBondContact NH1-OE2 2.91Å; R93-E97 WeakPolarHBondContact O-CB 3.46Å; R93-E97 WeakPolarHBondContact O-CG 3.37Å; R93-E97 PolarHBondContact O-N 3.24Å
94E98.6Very high98.2Very high12 Ų1231.5 Ų31.56%0.05616%0.156CC..Hα-helixtrans-58.7-45.9-179.8-65.2-67.8168.200111.6V49 G79 R80 A90 K96 E97 E98V49-E94 HydrophobicContact CG2-CG 3.98Å; G79-E94 WeakPolarHBondContact CA-OE1 3.4Å; G79-E94 WeakPolarHBondContact CA-OE2 3.44Å; R80-E94 PolarHBondContact N-OE1 3.35Å; A90-E94 VanDerWaalsContact O-CG 3.22Å; A90-E94 WeakPolarHBondContact O-CG 3.31Å; A90-E94 PolarHBondContact O-N 2.89Å; E94-K96 VanDerWaalsContact C-N 3.29Å; E94-K96 PolarHBondContact O-N 3.42Å; E94-E97 PolarHBondContact O-N 2.98Å; E94-E98 WeakPolarHBondContact O-CB 3.42Å; E94-E98 WeakPolarHBondContact O-CG 3.18Å; E94-E98 PolarHBondContact O-N 3.4Å
95V98.8Very high98.3Very high0 Ų030.9 Ų30.90%015%0.146CC..Hα-helixtrans-63.5-36.4176.8173.20000111.7I53 P77 L91 R93 A99 G100 F101 C103I53-V95 HydrophobicContact CD1-CG1 3.91Å; I53-V95 HydrophobicContact CD1-CG2 3.94Å; P77-V95 HydrophobicContact CB-CG2 3.92Å; P77-V95 HydrophobicContact CG-CG2 4.48Å; L91-V95 HydrophobicContact CD1-CG2 4.38Å; L91-V95 WeakPolarHBondContact O-CB 3.42Å; L91-V95 VanDerWaalsContact O-CG2 3.27Å; L91-V95 WeakPolarHBondContact O-CG2 3.17Å; L91-V95 PolarHBondContact O-N 2.82Å; R93-V95 PolarHBondContact O-N 3.34Å; V95-A99 WeakPolarHBondContact O-CA 3.42Å; V95-A99 VanDerWaalsContact O-CB 3.31Å; V95-A99 WeakPolarHBondContact O-CB 3.45Å; V95-A99 PolarHBondContact O-N 2.94Å; V95-G100 PolarHBondContact O-N 3.24Å; V95-F101 HydrophobicContact CG1-CB 4.14Å; V95-C103 HydrophobicContact CG1-CB 4.06Å
96K98.6Very high98.4Very high87 Ų8732.8 Ų32.838%0.37816%0.157SC..Hα-helixtrans-69.2-48.1178.1-174.461.9168.9-1630112.1R92 R93 E94 G100 F101 D102R92-K96 VanDerWaalsContact O-CB 3.3Å; R92-K96 WeakPolarHBondContact O-CB 3.43Å; R92-K96 PolarHBondContact O-N 3.05Å; R93-K96 WeakPolarHBondContact O-CB 3.39Å; R93-K96 PolarHBondContact O-N 2.83Å; E94-K96 VanDerWaalsContact C-N 3.29Å; E94-K96 PolarHBondContact O-N 3.42Å; K96-G100 PolarHBondContact NZ-O 3.2Å; K96-G100 WeakPolarHBondContact O-CA 3.22Å; K96-G100 PolarHBondContact O-N 2.97Å; K96-F101 VanDerWaalsContact CA-O 3.27Å; K96-F101 WeakPolarHBondContact CA-O 3.46Å; K96-F101 WeakPolarHBondContact CD-O 3.44Å; K96-F101 PolarHBondContact N-O 3.09Å; K96-D102 WeakPolarHBondContact CD-OD1 3.3Å; K96-D102 VanDerWaalsContact CE-OD1 3.32Å; K96-D102 WeakPolarHBondContact CE-OD1 3.18Å; K96-D102 IonicContact NZ-OD1 3.01Å; K96-D102 PolarHBondContact NZ-OD1 3.01Å; K96-D102 IonicContact NZ-OD2 3.58Å; K96-D102 PolarHBondContact NZ-OD2 3.24Å
97E98.3Very high98.5Very high70 Ų7032 Ų3233%0.32715%0.152SC..Hα-helixtrans-66.4-47.6-178.2-74.3171.417400111.4R93 E94 K133 E141R93-E97 WeakPolarHBondContact CD-OE1 3.47Å; R93-E97 HydrophobicContact CG-CG 4.24Å; R93-E97 WeakPolarHBondContact CG-OE1 3.27Å; R93-E97 WeakPolarHBondContact CG-OE2 3.25Å; R93-E97 IonicContact NH1-OE2 2.7Å; R93-E97 PolarHBondContact NH1-OE2 2.91Å; R93-E97 WeakPolarHBondContact O-CB 3.46Å; R93-E97 WeakPolarHBondContact O-CG 3.37Å; R93-E97 PolarHBondContact O-N 3.24Å; E94-E97 PolarHBondContact O-N 2.98Å; E97-K133 PolarHBondContact O-NZ 3.43Å; E97-E141 HydrophobicContact CB-CB 4.4Å; E97-E141 HydrophobicContact CB-CG 4.18Å
98E98.3Very high98.5Very high2 Ų232 Ų321%0.00915%0.152CC..Hα-helixtrans-85.6-28.6-173.8-60.7-172.4143.600113.3V63 P77 A78 E94 E141 S142V63-E98 HydrophobicContact CB-CB 4.29Å; V63-E98 HydrophobicContact CG1-CB 3.84Å; V63-E98 WeakPolarHBondContact CG1-O 3.27Å; V63-E98 HydrophobicContact CG2-CB 4.4Å; P77-E98 WeakPolarHBondContact CA-OE2 3.29Å; A78-E98 PolarHBondContact N-OE2 3.46Å; E94-E98 WeakPolarHBondContact O-CB 3.42Å; E94-E98 WeakPolarHBondContact O-CG 3.18Å; E94-E98 PolarHBondContact O-N 3.4Å; E98-E141 HydrophobicContact CG-CB 4.44Å; E98-S142 WeakPolarHBondContact CA-OG 3.32Å; E98-S142 WeakPolarHBondContact O-CB 3.36Å; E98-S142 PolarHBondContact O-OG 3.49Å
99A98.4Very high98.5Very high0 Ų030.7 Ų30.70%015%0.145CC..Hα-helixtrans-124.2-9.5-174.100000115.8L61 V63 V95 F101 M132 K133 A145L61-A99 HydrophobicContact CD1-CB 4.34Å; L61-A99 HydrophobicContact CD2-CB 3.84Å; L61-A99 HydrophobicContact CG-CB 4.35Å; V63-A99 HydrophobicContact CG1-CB 3.83Å; V95-A99 WeakPolarHBondContact O-CA 3.42Å; V95-A99 VanDerWaalsContact O-CB 3.31Å; V95-A99 WeakPolarHBondContact O-CB 3.45Å; V95-A99 PolarHBondContact O-N 2.94Å; A99-F101 VanDerWaalsContact C-N 3.27Å; A99-F101 HydrophobicContact CB-CD2 4.19Å; A99-F101 PolarHBondContact O-N 3.15Å; A99-M132 WeakPolarHBondContact O-CA 3.38Å; A99-K133 PolarHBondContact O-N 2.76Å; A99-A145 HydrophobicContact CB-CB 3.72Å
100G98.4Very high98.5Very high16 Ų1627.7 Ų27.717%0.16513%0.131CC..  trans81-2.3178.300000115.3V95 K96 S131V95-G100 PolarHBondContact O-N 3.24Å; K96-G100 PolarHBondContact NZ-O 3.2Å; K96-G100 WeakPolarHBondContact O-CA 3.22Å; K96-G100 PolarHBondContact O-N 2.97Å; G100-S131 CarbonylContact C-O 3.5Å; G100-S131 VanDerWaalsContact C-O 3.25Å; G100-S131 WeakPolarHBondContact CA-O 3.22Å; G100-S131 PolarHBondContact O-N 3.22Å
101F98.6Very high98.4Very high20 Ų2027.7 Ų27.79%0.08813%0.131CC..EExtended strand (participates in β ladder)trans-93.5146.3-177.1-70.3-63.2000113L61 V95 K96 A99 I127 M132 W147L61-F101 HydrophobicContact CD1-CD2 4.16Å; L61-F101 HydrophobicContact CD1-CE2 3.88Å; L61-F101 HydrophobicContact CD2-CD2 3.96Å; L61-F101 HydrophobicContact CD2-CE2 4.47Å; V95-F101 HydrophobicContact CG1-CB 4.14Å; K96-F101 VanDerWaalsContact CA-O 3.27Å; K96-F101 WeakPolarHBondContact CA-O 3.46Å; K96-F101 WeakPolarHBondContact CD-O 3.44Å; K96-F101 PolarHBondContact N-O 3.09Å; A99-F101 VanDerWaalsContact C-N 3.27Å; A99-F101 HydrophobicContact CB-CD2 4.19Å; A99-F101 PolarHBondContact O-N 3.15Å; F101-I127 HydrophobicContact CB-CD1 4.33Å; F101-I127 HydrophobicContact CB-CG1 4.17Å; F101-I127 HydrophobicContact CB-CG2 4.31Å; F101-I127 HydrophobicContact CD1-CD1 3.87Å; F101-I127 HydrophobicContact CD1-CG1 4.35Å; F101-I127 HydrophobicContact CD1-CG2 3.74Å; F101-I127 HydrophobicContact CD2-CD1 3.73Å; F101-I127 HydrophobicContact CD2-CG1 4.44Å; F101-I127 HydrophobicContact CE1-CD1 4.01Å; F101-I127 HydrophobicContact CE1-CG2 4.34Å; F101-I127 HydrophobicContact CE2-CD1 3.87Å; F101-I127 HydrophobicContact CG-CD1 3.72Å; F101-I127 HydrophobicContact CG-CG1 4.09Å; F101-I127 HydrophobicContact CG-CG2 4.22Å; F101-I127 HydrophobicContact CZ-CD1 3.99Å; F101-M132 HydrophobicContact CE2-CB 3.95Å; F101-M132 HydrophobicContact CE2-CE 4.32Å; F101-M132 HydrophobicContact CE2-CG 4.31Å; F101-M132 HydrophobicContact CZ-CB 3.67Å; F101-M132 HydrophobicContact CZ-CE 4.4Å; F101-M132 HydrophobicContact CZ-CG 4.46Å; F101-W147 HydrophobicContact CE2-CZ2 4.38Å; F101-W147 HydrophobicContact CZ-CZ2 4.47Å
102D98.6Very high98.3Very high66 Ų6628 Ų2835%0.35313%0.133SC..EExtended strand (participates in β ladder)trans-87.6138.6161.9-54.7-58.3000108.3K96 I127 T128 G129 G130K96-D102 WeakPolarHBondContact CD-OD1 3.3Å; K96-D102 VanDerWaalsContact CE-OD1 3.32Å; K96-D102 WeakPolarHBondContact CE-OD1 3.18Å; K96-D102 IonicContact NZ-OD1 3.01Å; K96-D102 PolarHBondContact NZ-OD1 3.01Å; K96-D102 IonicContact NZ-OD2 3.58Å; K96-D102 PolarHBondContact NZ-OD2 3.24Å; D102-I127 WeakPolarHBondContact O-CA 3.34Å; D102-T128 PolarHBondContact O-N 2.87Å; D102-T128 PolarHBondContact O-OG1 3.09Å; D102-G129 PolarHBondContact N-O 2.73Å; D102-G129 PolarHBondContact O-N 2.77Å; D102-G130 PolarHBondContact OD2-N 3.18Å
103C98.6Very high98Very high5 Ų523.2 Ų23.23%0.03412%0.115CC..EExtended strand (participates in β ladder)trans-138.1164.9-177.177.80000113.6I53 R92 V95 R126I53-C103 HydrophobicContact CD1-CB 4.36Å; R92-C103 WeakPolarHBondContact CG-O 3.49Å; V95-C103 HydrophobicContact CG1-CB 4.06Å; C103-R126 CarbonylContact C-O 3.57Å; C103-R126 WeakPolarHBondContact CA-O 3.36Å; C103-R126 VanDerWaalsContact CB-O 3.3Å; C103-R126 WeakPolarHBondContact CB-O 3.33Å
104Q98.5Very high97.7Very high82 Ų8226.8 Ų26.838%0.38313%0.133SC..EExtended strand (participates in β ladder)trans-128.6132168.1-73.3-178.6-1200110A125 R126 T128Q104-A125 VanDerWaalsContact O-CA 3.31Å; Q104-A125 WeakPolarHBondContact O-CA 3.46Å; Q104-A125 WeakPolarHBondContact O-CB 3.25Å; Q104-R126 HydrophobicContact CB-CG 4.41Å; Q104-R126 PolarHBondContact N-O 3.15Å; Q104-R126 PolarHBondContact O-N 3.39Å; Q104-T128 HydrophobicContact CB-CG2 4.09Å; Q104-T128 HydrophobicContact CG-CG2 3.74Å
105P98.4Very high97.1Very high15 Ų1526.3 Ų26.310%0.09713%0.132CC..EExtended strand (participates in β ladder)trans-66.3141.2171.829.4-33.7000110.3E88 L91 F123 L181E88-P105 HydrophobicContact CB-CG 4.08Å; E88-P105 HydrophobicContact CG-CG 3.87Å; L91-P105 HydrophobicContact CD2-CB 3.8Å; L91-P105 HydrophobicContact CD2-CG 4.48Å; P105-F123 HydrophobicContact CB-CD1 3.78Å; P105-F123 HydrophobicContact CB-CE1 4.31Å; P105-L181 HydrophobicContact CB-CD2 3.77Å; P105-L181 HydrophobicContact CG-CD1 4.32Å; P105-L181 HydrophobicContact CG-CD2 4.17Å
106I98.3Very high96.6Very high62 Ų6227 Ų2732%0.31814%0.136SC..EExtended strand (participates in β ladder)trans-97.8-48.7175-66.1166.7000109.4L124 R126I106-L124 HydrophobicContact CB-CB 4.44Å; I106-L124 HydrophobicContact CB-CD2 4.4Å; I106-L124 HydrophobicContact CB-CG 4.3Å; I106-L124 HydrophobicContact CD1-CD2 4.26Å; I106-L124 HydrophobicContact CD1-CG 4.08Å; I106-L124 HydrophobicContact CG2-CD2 4.27Å; I106-L124 PolarHBondContact N-O 3.17Å; I106-R126 HydrophobicContact CD1-CB 3.97Å; I106-R126 HydrophobicContact CD1-CG 4.2Å; I106-R126 HydrophobicContact CG1-CG 4.22Å
107T98.5Very high96.2Very high0 Ų026.7 Ų26.70%014%0.136CC..EExtended strand (participates in β ladder)trans-161.7159.9179.1-172.20000110.1L109 F123 L124 Y171 H177 S180T107-L109 HydrophobicContact CG2-CD2 4.28Å; T107-F123 CarbonylContact O-C 3.33Å; T107-F123 WeakPolarHBondContact O-CA 3.43Å; T107-L124 HydrophobicContact CG2-CB 4.02Å; T107-L124 HydrophobicContact CG2-CD2 4.48Å; T107-L124 PolarHBondContact N-O 2.78Å; T107-L124 PolarHBondContact O-N 2.84Å; T107-Y171 HydrophobicContact CG2-CD1 3.97Å; T107-Y171 HydrophobicContact CG2-CD2 4.27Å; T107-Y171 HydrophobicContact CG2-CE1 3.57Å; T107-Y171 HydrophobicContact CG2-CE2 3.91Å; T107-Y171 HydrophobicContact CG2-CG 4.31Å; T107-H177 PolarHBondContact OG1-CE1 2.97Å; T107-S180 CarbonylContact C-O 3.6Å; T107-S180 PolarHBondContact OG1-N 3.48Å; T107-S180 PolarHBondContact OG1-O 2.86Å
108L98.5Very high96.1Very high0 Ų026.5 Ų26.50%013%0.132CC..EExtended strand (participates in β ladder)trans-68.2136.6154.4-70.5163.6000109F121 I122 F123 H177 S180 P182 L257 L332L108-F121 HydrophobicContact CD2-CB 3.95Å; L108-F121 HydrophobicContact CD2-CD1 4.44Å; L108-I122 CarbonylContact C-O 3.51Å; L108-I122 WeakPolarHBondContact CA-O 3.43Å; L108-F123 HydrophobicContact CD2-CD1 3.81Å; L108-F123 HydrophobicContact CD2-CD2 4.02Å; L108-F123 HydrophobicContact CD2-CE1 3.49Å; L108-F123 VanDerWaalsContact CD2-CE1 3.49Å; L108-F123 HydrophobicContact CD2-CE2 3.71Å; L108-F123 HydrophobicContact CD2-CG 4.07Å; L108-F123 HydrophobicContact CD2-CZ 3.44Å; L108-F123 VanDerWaalsContact CD2-CZ 3.44Å; L108-F123 HydrophobicContact CG-CD1 4.14Å; L108-F123 HydrophobicContact CG-CE1 3.79Å; L108-F123 HydrophobicContact CG-CZ 4.17Å; L108-H177 PolarHBondContact O-CE1 2.8Å; L108-H177 PolarHBondContact O-NE2 3.06Å; L108-S180 PolarHBondContact N-O 3.44Å; L108-P182 HydrophobicContact CD1-CG 4.45Å; L108-L257 HydrophobicContact CD1-CB 4.26Å; L108-L257 HydrophobicContact CD1-CD2 3.6Å; L108-L332 HydrophobicContact CB-CD1 3.68Å; L108-L332 HydrophobicContact CB-CD2 3.72Å; L108-L332 HydrophobicContact CB-CG 4.39Å; L108-L332 HydrophobicContact CD1-CD2 3.84Å; L108-L332 HydrophobicContact CG-CD2 4.43Å; L108-L332 WeakPolarHBondContact O-CD1 3.41Å
109L98Very high96Very high0 Ų026.4 Ų26.40%013%0.132CC..EExtended strand (participates in β ladder)trans-100.1-35.6175.5-72.4171.3000112V52 T107 I122 L124 Y171 W176 P333V52-L109 HydrophobicContact CB-CD1 3.96Å; V52-L109 HydrophobicContact CG1-CD1 4.48Å; V52-L109 HydrophobicContact CG2-CD1 4.01Å; T107-L109 HydrophobicContact CG2-CD2 4.28Å; L109-I122 HydrophobicContact CB-CG2 4.25Å; L109-I122 HydrophobicContact CD1-CG2 4.31Å; L109-I122 PolarHBondContact N-O 3.28Å; L109-L124 HydrophobicContact CD1-CB 3.81Å; L109-L124 HydrophobicContact CD2-CB 3.98Å; L109-L124 HydrophobicContact CG-CB 3.78Å; L109-Y171 VanDerWaalsContact CD2-CB 3.48Å; L109-Y171 HydrophobicContact CD2-CD1 4.49Å; L109-Y171 HydrophobicContact CD2-CD2 4.12Å; L109-Y171 HydrophobicContact CD2-CG 3.78Å; L109-W176 HydrophobicContact CD2-CH2 4.19Å; L109-P333 WeakPolarHBondContact O-CD 3.4Å; L109-P333 VanDerWaalsContact O-CG 3.25Å; L109-P333 WeakPolarHBondContact O-CG 3.41Å
110L97.8Very high96Very high1 Ų127.3 Ų27.31%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-161142.6-174.4179.266.4000109.2Q112 I122 L164 Y167 P333 Q335L110-Q112 HydrophobicContact CD2-CG 3.79Å; L110-Q112 HydrophobicContact CG-CG 4.06Å; L110-I122 HydrophobicContact CB-CB 4.25Å; L110-I122 HydrophobicContact CB-CD1 4.12Å; L110-I122 HydrophobicContact CD2-CD1 4.33Å; L110-I122 HydrophobicContact CG-CD1 4.2Å; L110-I122 WeakPolarHBondContact O-CB 3.43Å; L110-I122 WeakPolarHBondContact O-CD1 3.19Å; L110-I122 PolarHBondContact O-N 3.24Å; L110-L164 HydrophobicContact CD2-CD2 3.62Å; L110-Y167 HydrophobicContact CD2-CD2 4.29Å; L110-Y167 HydrophobicContact CD2-CE2 4.09Å; L110-P333 HydrophobicContact CD1-CB 3.8Å; L110-P333 HydrophobicContact CD1-CG 3.78Å; L110-Q335 HydrophobicContact CD1-CB 4.1Å
111I97.4Very high96Very high0 Ų026.6 Ų26.60%013%0.128CC..EExtended strand (participates in β ladder)trans-107.9129.8164.2-63.1156.6000107.5I119 F121 V254 L257 F272 L332 P333 I334 Q335I111-I119 HydrophobicContact CG2-CG2 3.83Å; I111-F121 HydrophobicContact CG1-CD1 4.14Å; I111-F121 HydrophobicContact CG2-CE1 4.41Å; I111-V254 HydrophobicContact CD1-CB 4.42Å; I111-V254 HydrophobicContact CD1-CG1 4.35Å; I111-V254 HydrophobicContact CD1-CG2 4.01Å; I111-L257 HydrophobicContact CD1-CD1 4.4Å; I111-F272 HydrophobicContact CD1-CD1 4.09Å; I111-F272 HydrophobicContact CD1-CE1 3.88Å; I111-F272 HydrophobicContact CG2-CE1 3.94Å; I111-F272 HydrophobicContact CG2-CZ 4.44Å; I111-L332 HydrophobicContact CD1-CD2 3.52Å; I111-L332 HydrophobicContact CD1-CG 4.14Å; I111-L332 HydrophobicContact CG1-CD2 4.16Å; I111-P333 PolarHBondContact N-O 3Å; I111-I334 HydrophobicContact CB-CB 4.36Å; I111-I334 HydrophobicContact CB-CG1 4.17Å; I111-I334 HydrophobicContact CG2-CD1 4.14Å; I111-I334 HydrophobicContact CG2-CG1 4.07Å; I111-I334 CarbonylContact O-C 3.5Å; I111-I334 VanDerWaalsContact O-CA 3.3Å; I111-I334 WeakPolarHBondContact O-CA 3.4Å; I111-Q335 PolarHBondContact O-N 3.07Å
112Q96Very high96Very high8 Ų825.6 Ų25.64%0.03712%0.123CC..EExtended strand (participates in β ladder)trans-114.7141.6171.7-78.5174.5-3100110L110 W118 I119 R120 I122 Q335 L337L110-Q112 HydrophobicContact CD2-CG 3.79Å; L110-Q112 HydrophobicContact CG-CG 4.06Å; Q112-W118 HydrophobicContact CB-CZ3 4.45Å; Q112-I119 CarbonylContact O-C 3.59Å; Q112-I119 WeakPolarHBondContact O-CA 3.29Å; Q112-I119 WeakPolarHBondContact O-CG2 3.47Å; Q112-R120 HydrophobicContact CB-CB 4.28Å; Q112-R120 PolarHBondContact N-O 2.67Å; Q112-R120 PolarHBondContact O-N 3.08Å; Q112-R120 VanDerWaalsContact OE1-CZ 3.22Å; Q112-I122 HydrophobicContact CB-CD1 4.31Å; Q112-I122 HydrophobicContact CG-CD1 4.15Å; Q112-Q335 CarbonylContact C-O 3.43Å; Q112-Q335 VanDerWaalsContact CA-O 3.29Å; Q112-Q335 WeakPolarHBondContact CA-O 3.2Å; Q112-Q335 HydrophobicContact CG-CB 4.14Å; Q112-Q335 VanDerWaalsContact NE2-OE1 3.08Å; Q112-L337 HydrophobicContact CB-CD1 4.18Å; Q112-L337 HydrophobicContact CB-CG 4.38Å; Q112-L337 HydrophobicContact CG-CD2 4.36Å
113E93.6Very high96Very high0 Ų022.5 Ų22.50%011%0.107CC..EExtended strand (participates in β ladder)trans-142.2146.8-178.660.989.3-171.400111.7G115 W118 I119 A227 V228 I334 Q335 S336 L337E113-G115 VanDerWaalsContact OE2-CA 3.27Å; E113-G115 WeakPolarHBondContact OE2-CA 3.4Å; E113-G115 PolarHBondContact OE2-N 2.92Å; E113-W118 WeakPolarHBondContact CA-O 3.2Å; E113-I119 HydrophobicContact CB-CG1 4.3Å; E113-A227 WeakPolarHBondContact OE1-CB 3.36Å; E113-V228 HydrophobicContact CB-CB 4.47Å; E113-V228 HydrophobicContact CB-CG2 4.08Å; E113-V228 HydrophobicContact CG-CB 3.85Å; E113-V228 HydrophobicContact CG-CG2 3.98Å; E113-V228 PolarHBondContact OE1-N 2.91Å; E113-V228 PolarHBondContact OE2-N 2.98Å; E113-I334 HydrophobicContact CG-CD1 4.34Å; E113-I334 HydrophobicContact CG-CG1 4.35Å; E113-Q335 PolarHBondContact N-O 3.32Å; E113-S336 WeakPolarHBondContact OE1-CA 3.29Å; E113-S336 VanDerWaalsContact OE1-CB 3.26Å; E113-S336 WeakPolarHBondContact OE1-CB 3.18Å; E113-S336 PolarHBondContact OE1-OG 3.13Å; E113-L337 PolarHBondContact O-N 2.95Å
114Q91.1Very high96Very high116 Ų11622.5 Ų22.554%0.54211%0.106SC..SBendtrans-126.673.4169.3-171.8-176.2-15.200106.8W118Q114-W118 HydrophobicContact CB-CB 4.37Å; Q114-W118 HydrophobicContact CB-CE3 4.15Å; Q114-W118 PolarHBondContact N-O 3.48Å
115G86.8Confident96Very high3 Ų318.8 Ų18.83%0.0319%0.09CC..SBendtrans65.6-173-169.200000113.2E113 Q117 Y338E113-G115 VanDerWaalsContact OE2-CA 3.27Å; E113-G115 WeakPolarHBondContact OE2-CA 3.4Å; E113-G115 PolarHBondContact OE2-N 2.92Å; G115-Q117 PolarHBondContact O-N 3.12Å; G115-Y338 WeakPolarHBondContact CA-OH 3.42Å; G115-Y338 PolarHBondContact N-OH 3.22Å
116P87.3Confident96Very high14 Ų1424.7 Ų24.79%0.09111%0.11CC..THydrogen-bonded Turntrans-67-11.9-177.426.7-34.6000112.9V45 I190 A222 L223 R224V45-P116 WeakPolarHBondContact CG1-O 3.31Å; P116-I190 HydrophobicContact CB-CB 4.41Å; P116-I190 HydrophobicContact CB-CD1 3.94Å; P116-I190 WeakPolarHBondContact O-CD1 3.46Å; P116-A222 HydrophobicContact CB-CB 3.87Å; P116-A222 HydrophobicContact CG-CB 4.48Å; P116-L223 WeakPolarHBondContact CD-O 3.45Å; P116-R224 HydrophobicContact CG-CG 4.46Å
117Q91.6Very high96Very high80 Ų8024.4 Ų24.437%0.37411%0.108SC..THydrogen-bonded Turntrans-88.3-19.9-170.9-51.6-159.3-79.100113.3N44 V45 T46 G115N44-Q117 PolarHBondContact O-NE2 3.27Å; V45-Q117 CarbonylContact C-O 3.6Å; V45-Q117 WeakPolarHBondContact CA-O 3.47Å; T46-Q117 PolarHBondContact N-O 2.86Å; G115-Q117 PolarHBondContact O-N 3.12Å
118W94.9Very high96Very high67 Ų6727.9 Ų27.925%0.25413%0.13SC..EExtended strand (participates in β ladder)trans-142.5119-177.3-171.594.2000110T46 I48 Q112 E113 Q114 R120 L337T46-W118 WeakPolarHBondContact O-CA 3.31Å; I48-W118 HydrophobicContact CG1-CZ2 3.97Å; Q112-W118 HydrophobicContact CB-CZ3 4.45Å; E113-W118 WeakPolarHBondContact CA-O 3.2Å; Q114-W118 HydrophobicContact CB-CB 4.37Å; Q114-W118 HydrophobicContact CB-CE3 4.15Å; Q114-W118 PolarHBondContact N-O 3.48Å; W118-R120 HydrophobicContact CH2-CB 3.44Å; W118-R120 VanDerWaalsContact CH2-CB 3.44Å; W118-R120 HydrophobicContact CH2-CG 4.28Å; W118-R120 HydrophobicContact CZ2-CB 4.02Å; W118-R120 HydrophobicContact CZ3-CB 3.76Å; W118-L337 HydrophobicContact CH2-CD1 4.21Å; W118-L337 HydrophobicContact CZ3-CD1 3.67Å
119I96.6Very high96Very high0 Ų029.2 Ų29.20%014%0.143CC..EExtended strand (participates in β ladder)trans-134.4130.6179.8-50-178.3000108.5T46 Y47 I48 I111 Q112 E113 F121 I190 F272T46-I119 PolarHBondContact O-N 2.89Å; Y47-I119 CarbonylContact C-O 3.57Å; Y47-I119 WeakPolarHBondContact CA-O 3.39Å; Y47-I119 HydrophobicContact CD1-CB 4.02Å; Y47-I119 HydrophobicContact CD1-CG1 4.4Å; Y47-I119 HydrophobicContact CE1-CB 4.33Å; Y47-I119 HydrophobicContact CE1-CD1 4.03Å; Y47-I119 HydrophobicContact CE1-CG1 4.25Å; I48-I119 PolarHBondContact N-O 2.75Å; I111-I119 HydrophobicContact CG2-CG2 3.83Å; Q112-I119 CarbonylContact O-C 3.59Å; Q112-I119 WeakPolarHBondContact O-CA 3.29Å; Q112-I119 WeakPolarHBondContact O-CG2 3.47Å; E113-I119 HydrophobicContact CB-CG1 4.3Å; I119-F121 HydrophobicContact CB-CE2 4.14Å; I119-F121 HydrophobicContact CB-CZ 4.12Å; I119-F121 HydrophobicContact CG2-CD1 4.43Å; I119-F121 HydrophobicContact CG2-CD2 4.42Å; I119-F121 HydrophobicContact CG2-CE1 3.8Å; I119-F121 HydrophobicContact CG2-CE2 3.8Å; I119-F121 HydrophobicContact CG2-CZ 3.46Å; I119-F121 VanDerWaalsContact CG2-CZ 3.46Å; I119-I190 HydrophobicContact CD1-CD1 4.06Å; I119-I190 HydrophobicContact CD1-CG2 4.26Å; I119-F272 HydrophobicContact CD1-CE2 4.14Å; I119-F272 HydrophobicContact CD1-CZ 3.91Å; I119-F272 HydrophobicContact CG2-CZ 4.37Å
120R98.1Very high96Very high19 Ų1931.5 Ų31.57%0.07217%0.167CC..EExtended strand (participates in β ladder)trans-113.2125.5175.3-177.516570.7174.31.6110.1I48 Y75 Q112 W118 I122 D160I48-R120 HydrophobicContact CB-CB 4.02Å; I48-R120 HydrophobicContact CB-CG 3.92Å; I48-R120 HydrophobicContact CG2-CG 3.89Å; I48-R120 CarbonylContact O-C 3.56Å; I48-R120 VanDerWaalsContact O-CA 3.29Å; I48-R120 WeakPolarHBondContact O-CA 3.43Å; Y75-R120 PolarHBondContact OH-NH1 3.03Å; Q112-R120 HydrophobicContact CB-CB 4.28Å; Q112-R120 PolarHBondContact N-O 2.67Å; Q112-R120 PolarHBondContact O-N 3.08Å; Q112-R120 VanDerWaalsContact OE1-CZ 3.22Å; W118-R120 HydrophobicContact CH2-CB 3.44Å; W118-R120 VanDerWaalsContact CH2-CB 3.44Å; W118-R120 HydrophobicContact CH2-CG 4.28Å; W118-R120 HydrophobicContact CZ2-CB 4.02Å; W118-R120 HydrophobicContact CZ3-CB 3.76Å; R120-I122 HydrophobicContact CB-CD1 4.49Å; R120-I122 HydrophobicContact CG-CD1 3.99Å; R120-I122 HydrophobicContact CG-CG1 4.41Å; R120-I122 WeakPolarHBondContact O-CD1 3.17Å; R120-D160 IonicContact CZ-OD2 2.94Å; R120-D160 IonicContact NH1-OD2 4Å; R120-D160 PolarHBondContact NH1-OD2 3.25Å; R120-D160 IonicContact NH2-OD2 2.68Å; R120-D160 PolarHBondContact NH2-OD2 2.88Å
121F98.6Very high96Very high0 Ų035.5 Ų35.50%020%0.195CC..EExtended strand (participates in β ladder)trans-104.5114.6179.4-57.7-81.3000109Y47 I48 V49 C50 L87 L108 I111 I119 F123 L257 V270 F272Y47-F121 HydrophobicContact CD1-CE2 4.13Å; Y47-F121 HydrophobicContact CG-CE2 4.03Å; I48-F121 PolarHBondContact O-N 3.24Å; V49-F121 WeakPolarHBondContact CA-O 3.48Å; C50-F121 PolarHBondContact N-O 3.43Å; L87-F121 HydrophobicContact CD1-CD1 3.96Å; L87-F121 HydrophobicContact CD1-CD2 3.85Å; L87-F121 HydrophobicContact CD1-CE1 4Å; L87-F121 HydrophobicContact CD1-CE2 3.88Å; L87-F121 HydrophobicContact CD1-CG 3.89Å; L87-F121 HydrophobicContact CD1-CZ 3.95Å; L87-F121 HydrophobicContact CD2-CD2 3.83Å; L87-F121 HydrophobicContact CD2-CE2 3.85Å; L87-F121 HydrophobicContact CG-CD2 4.44Å; L108-F121 HydrophobicContact CD2-CB 3.95Å; L108-F121 HydrophobicContact CD2-CD1 4.44Å; I111-F121 HydrophobicContact CG1-CD1 4.14Å; I111-F121 HydrophobicContact CG2-CE1 4.41Å; I119-F121 HydrophobicContact CB-CE2 4.14Å; I119-F121 HydrophobicContact CB-CZ 4.12Å; I119-F121 HydrophobicContact CG2-CD1 4.43Å; I119-F121 HydrophobicContact CG2-CD2 4.42Å; I119-F121 HydrophobicContact CG2-CE1 3.8Å; I119-F121 HydrophobicContact CG2-CE2 3.8Å; I119-F121 HydrophobicContact CG2-CZ 3.46Å; I119-F121 VanDerWaalsContact CG2-CZ 3.46Å; F121-F123 HydrophobicContact CB-CD2 4.37Å; F121-F123 HydrophobicContact CB-CE2 3.75Å; F121-F123 HydrophobicContact CB-CZ 4.47Å; F121-L257 HydrophobicContact CD1-CD2 3.74Å; F121-L257 HydrophobicContact CE1-CD1 4.14Å; F121-L257 HydrophobicContact CE1-CD2 3.54Å; F121-L257 HydrophobicContact CE1-CG 4.47Å; F121-V270 HydrophobicContact CZ-CG2 4.31Å; F121-F272 HydrophobicContact CE1-CE1 4.35Å
122I98.8Very high96Very high0 Ų038.2 Ų38.20%021%0.209CC..EExtended strand (participates in β ladder)trans-99.8118.7-177.5-60.186.7000107.9C50 V52 L108 L109 L110 Q112 R120 L164C50-I122 HydrophobicContact CB-CG1 4.34Å; V52-I122 HydrophobicContact CG2-CG2 3.91Å; L108-I122 CarbonylContact C-O 3.51Å; L108-I122 WeakPolarHBondContact CA-O 3.43Å; L109-I122 HydrophobicContact CB-CG2 4.25Å; L109-I122 HydrophobicContact CD1-CG2 4.31Å; L109-I122 PolarHBondContact N-O 3.28Å; L110-I122 HydrophobicContact CB-CB 4.25Å; L110-I122 HydrophobicContact CB-CD1 4.12Å; L110-I122 HydrophobicContact CD2-CD1 4.33Å; L110-I122 HydrophobicContact CG-CD1 4.2Å; L110-I122 WeakPolarHBondContact O-CB 3.43Å; L110-I122 WeakPolarHBondContact O-CD1 3.19Å; L110-I122 PolarHBondContact O-N 3.24Å; Q112-I122 HydrophobicContact CB-CD1 4.31Å; Q112-I122 HydrophobicContact CG-CD1 4.15Å; R120-I122 HydrophobicContact CB-CD1 4.49Å; R120-I122 HydrophobicContact CG-CD1 3.99Å; R120-I122 HydrophobicContact CG-CG1 4.41Å; R120-I122 WeakPolarHBondContact O-CD1 3.17Å; I122-L164 HydrophobicContact CD1-CD2 4.29Å; I122-L164 HydrophobicContact CG1-CD1 3.92Å; I122-L164 HydrophobicContact CG1-CD2 3.9Å; I122-L164 HydrophobicContact CG1-CG 4.45Å; I122-L164 HydrophobicContact CG2-CB 4.31Å; I122-L164 HydrophobicContact CG2-CD1 4.45Å; I122-L164 HydrophobicContact CG2-CD2 4.44Å
123F98.9Very high96.1Very high0 Ų038.5 Ų38.50%021%0.21CC..EExtended strand (participates in β ladder)trans-105.9139.9-179.7-70.9-92.6000110.9V49 C50 V52 L87 E88 L91 P105 T107 L108 F121 L181 P182V49-F123 HydrophobicContact CG1-CE2 4.1Å; C50-F123 PolarHBondContact O-N 3.49Å; V52-F123 PolarHBondContact N-O 3.29Å; L87-F123 HydrophobicContact CB-CE2 4.28Å; L87-F123 HydrophobicContact CB-CZ 3.98Å; E88-F123 HydrophobicContact CG-CE1 4.4Å; L91-F123 HydrophobicContact CD1-CB 4.18Å; L91-F123 HydrophobicContact CD1-CD2 4.26Å; L91-F123 HydrophobicContact CD2-CB 3.49Å; L91-F123 VanDerWaalsContact CD2-CB 3.49Å; L91-F123 HydrophobicContact CD2-CD1 4.15Å; L91-F123 HydrophobicContact CD2-CD2 3.98Å; L91-F123 HydrophobicContact CD2-CG 3.63Å; L91-F123 HydrophobicContact CG-CB 4.46Å; L91-F123 HydrophobicContact CG-CD2 4.49Å; P105-F123 HydrophobicContact CB-CD1 3.78Å; P105-F123 HydrophobicContact CB-CE1 4.31Å; T107-F123 CarbonylContact O-C 3.33Å; T107-F123 WeakPolarHBondContact O-CA 3.43Å; L108-F123 HydrophobicContact CD2-CD1 3.81Å; L108-F123 HydrophobicContact CD2-CD2 4.02Å; L108-F123 HydrophobicContact CD2-CE1 3.49Å; L108-F123 VanDerWaalsContact CD2-CE1 3.49Å; L108-F123 HydrophobicContact CD2-CE2 3.71Å; L108-F123 HydrophobicContact CD2-CG 4.07Å; L108-F123 HydrophobicContact CD2-CZ 3.44Å; L108-F123 VanDerWaalsContact CD2-CZ 3.44Å; L108-F123 HydrophobicContact CG-CD1 4.14Å; L108-F123 HydrophobicContact CG-CE1 3.79Å; L108-F123 HydrophobicContact CG-CZ 4.17Å; F121-F123 HydrophobicContact CB-CD2 4.37Å; F121-F123 HydrophobicContact CB-CE2 3.75Å; F121-F123 HydrophobicContact CB-CZ 4.47Å; F123-L181 HydrophobicContact CD1-CD2 4.08Å; F123-L181 HydrophobicContact CE1-CD2 3.96Å; F123-P182 HydrophobicContact CE1-CG 4.34Å; F123-P182 HydrophobicContact CZ-CG 4.08Å
124L98.8Very high96.3Very high5 Ų541.9 Ų41.93%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-81.4130.7153.6-176.463.1000107.4V52 F54 I106 T107 L109 Y171V52-L124 WeakPolarHBondContact O-CA 3.49Å; F54-L124 HydrophobicContact CD2-CD1 4.01Å; F54-L124 HydrophobicContact CE2-CD1 3.91Å; I106-L124 HydrophobicContact CB-CB 4.44Å; I106-L124 HydrophobicContact CB-CD2 4.4Å; I106-L124 HydrophobicContact CB-CG 4.3Å; I106-L124 HydrophobicContact CD1-CD2 4.26Å; I106-L124 HydrophobicContact CD1-CG 4.08Å; I106-L124 HydrophobicContact CG2-CD2 4.27Å; I106-L124 PolarHBondContact N-O 3.17Å; T107-L124 HydrophobicContact CG2-CB 4.02Å; T107-L124 HydrophobicContact CG2-CD2 4.48Å; T107-L124 PolarHBondContact N-O 2.78Å; T107-L124 PolarHBondContact O-N 2.84Å; L109-L124 HydrophobicContact CD1-CB 3.81Å; L109-L124 HydrophobicContact CD2-CB 3.98Å; L109-L124 HydrophobicContact CG-CB 3.78Å; L124-Y171 HydrophobicContact CD2-CD1 3.56Å; L124-Y171 HydrophobicContact CD2-CE1 4.24Å; L124-Y171 HydrophobicContact CD2-CG 4.35Å
125A98.8Very high96.5Very high4 Ų441.2 Ų41.23%0.03323%0.23CC..EExtended strand (participates in β ladder)trans-135.916217700000111.6V52 I53 L91 Q104V52-A125 PolarHBondContact O-N 2.69Å; I53-A125 HydrophobicContact CD1-CB 4.11Å; I53-A125 HydrophobicContact CG1-CB 3.88Å; L91-A125 HydrophobicContact CD2-CB 4.19Å; Q104-A125 VanDerWaalsContact O-CA 3.31Å; Q104-A125 WeakPolarHBondContact O-CA 3.46Å; Q104-A125 WeakPolarHBondContact O-CB 3.25Å
126R98.3Very high97Very high139 Ų13947.6 Ų47.653%0.52527%0.269SS..EExtended strand (participates in β ladder)trans-119.8147.3172.959.6178.2-174.11653.2110.5C103 Q104 I106 T128C103-R126 CarbonylContact C-O 3.57Å; C103-R126 WeakPolarHBondContact CA-O 3.36Å; C103-R126 VanDerWaalsContact CB-O 3.3Å; C103-R126 WeakPolarHBondContact CB-O 3.33Å; Q104-R126 HydrophobicContact CB-CG 4.41Å; Q104-R126 PolarHBondContact N-O 3.15Å; Q104-R126 PolarHBondContact O-N 3.39Å; I106-R126 HydrophobicContact CD1-CB 3.97Å; I106-R126 HydrophobicContact CD1-CG 4.2Å; I106-R126 HydrophobicContact CG1-CG 4.22Å; R126-T128 HydrophobicContact CG-CG2 4.43Å
127I98.6Very high97.4Very high56 Ų5649.4 Ų49.429%0.28728%0.284SS..EExtended strand (participates in β ladder)trans-72.7138.7171.5-65.2171.9000108.9I53 F101 D102 G129 W147I53-I127 HydrophobicContact CG2-CD1 4.18Å; I53-I127 HydrophobicContact CG2-CG1 3.88Å; F101-I127 HydrophobicContact CB-CD1 4.33Å; F101-I127 HydrophobicContact CB-CG1 4.17Å; F101-I127 HydrophobicContact CB-CG2 4.31Å; F101-I127 HydrophobicContact CD1-CD1 3.87Å; F101-I127 HydrophobicContact CD1-CG1 4.35Å; F101-I127 HydrophobicContact CD1-CG2 3.74Å; F101-I127 HydrophobicContact CD2-CD1 3.73Å; F101-I127 HydrophobicContact CD2-CG1 4.44Å; F101-I127 HydrophobicContact CE1-CD1 4.01Å; F101-I127 HydrophobicContact CE1-CG2 4.34Å; F101-I127 HydrophobicContact CE2-CD1 3.87Å; F101-I127 HydrophobicContact CG-CD1 3.72Å; F101-I127 HydrophobicContact CG-CG1 4.09Å; F101-I127 HydrophobicContact CG-CG2 4.22Å; F101-I127 HydrophobicContact CZ-CD1 3.99Å; D102-I127 WeakPolarHBondContact O-CA 3.34Å; I127-G129 WeakPolarHBondContact CG2-O 3.39Å; I127-W147 HydrophobicContact CD1-CH2 3.45Å; I127-W147 VanDerWaalsContact CD1-CH2 3.45Å; I127-W147 HydrophobicContact CD1-CZ2 3.41Å; I127-W147 VanDerWaalsContact CD1-CZ2 3.41Å
128T98.4Very high97.6Very high73 Ų7347.8 Ų47.845%0.44829%0.285SS..EExtended strand (participates in β ladder)trans-124.6-5.2176.954.50000113.1D102 Q104 R126D102-T128 PolarHBondContact O-N 2.87Å; D102-T128 PolarHBondContact O-OG1 3.09Å; Q104-T128 HydrophobicContact CB-CG2 4.09Å; Q104-T128 HydrophobicContact CG-CG2 3.74Å; R126-T128 HydrophobicContact CG-CG2 4.43Å
129G98.1Very high97.6Very high28 Ų2848.1 Ų48.129%0.28929%0.292SS..EExtended strand (participates in β ladder)trans173.2-171.1-17900000112.5D102 I127D102-G129 PolarHBondContact N-O 2.73Å; D102-G129 PolarHBondContact O-N 2.77Å; I127-G129 WeakPolarHBondContact CG2-O 3.39Å
130G97.3Very high97.5Very high48 Ų4855.3 Ų55.350%0.49533%0.325SS..EExtended strand (participates in β ladder)trans77.6-167-17800000113.3D102D102-G130 PolarHBondContact OD2-N 3.18Å
131S97.1Very high97.4Very high85 Ų8558 Ų5859%0.59434%0.339SS*.  trans-148148.3-17857.90000109.9G100 K133G100-S131 CarbonylContact C-O 3.5Å; G100-S131 VanDerWaalsContact C-O 3.25Å; G100-S131 WeakPolarHBondContact CA-O 3.22Å; G100-S131 PolarHBondContact O-N 3.22Å; S131-K133 PolarHBondContact O-N 3.39Å
132M98.2Very high97.3Very high58 Ų5858.1 Ų58.129%0.28634%0.339SS..PPolyproline II helixtrans-56130.3-179-172.8177.4-78.400111.8A99 F101 T134 A145 W147A99-M132 WeakPolarHBondContact O-CA 3.38Å; F101-M132 HydrophobicContact CE2-CB 3.95Å; F101-M132 HydrophobicContact CE2-CE 4.32Å; F101-M132 HydrophobicContact CE2-CG 4.31Å; F101-M132 HydrophobicContact CZ-CB 3.67Å; F101-M132 HydrophobicContact CZ-CE 4.4Å; F101-M132 HydrophobicContact CZ-CG 4.46Å; M132-T134 PolarHBondContact O-N 2.96Å; M132-A145 HydrophobicContact CG-CB 4.04Å; M132-W147 HydrophobicContact CE-CD2 4.45Å; M132-W147 HydrophobicContact CE-CG 3.98Å
133K98.1Very high97.2Very high14 Ų1459 Ų596%0.06134%0.344CS..PPolyproline II helixtrans-69.4121.7172.1-170.5177.2-176.1-179.30109.9E97 A99 S131 A137 D139 S142 Q144 A145E97-K133 PolarHBondContact O-NZ 3.43Å; A99-K133 PolarHBondContact O-N 2.76Å; S131-K133 PolarHBondContact O-N 3.39Å; K133-A137 WeakPolarHBondContact CE-O 3.31Å; K133-A137 HydrophobicContact CG-CB 4.05Å; K133-D139 IonicContact NZ-OD1 3.82Å; K133-D139 PolarHBondContact NZ-OD1 2.88Å; K133-D139 IonicContact NZ-OD2 3.47Å; K133-D139 PolarHBondContact NZ-OD2 3.08Å; K133-S142 WeakPolarHBondContact CD-OG 3.39Å; K133-S142 WeakPolarHBondContact CE-OG 3.44Å; K133-S142 PolarHBondContact NZ-O 3.42Å; K133-S142 PolarHBondContact NZ-OG 2.94Å; K133-Q144 CarbonylContact O-C 3.59Å; K133-Q144 WeakPolarHBondContact O-CA 3.39Å; K133-A145 PolarHBondContact O-N 2.76Å
134T97.6Very high97.2Very high70 Ų7061.1 Ų61.143%0.42935%0.354SS..PPolyproline II helixtrans-103.4171.6177640000110.5M132 T136 A137M132-T134 PolarHBondContact O-N 2.96Å; T134-T136 PolarHBondContact O-N 3.2Å; T134-T136 PolarHBondContact OG1-OG1 2.98Å; T134-A137 PolarHBondContact O-N 3.34Å
135L96.5Very high97.2Very high103 Ų10361.1 Ų61.154%0.53935%0.354SS..G310 helixtrans-55.2-23.4176.7-70171.2000114.7A137 A138 L143 Q144L135-A137 PolarHBondContact O-N 3.48Å; L135-A138 VanDerWaalsContact O-CB 3.31Å; L135-A138 WeakPolarHBondContact O-CB 3.49Å; L135-A138 PolarHBondContact O-N 3.31Å; L135-L143 WeakPolarHBondContact CA-O 3.33Å; L135-L143 HydrophobicContact CD2-CB 4.25Å; L135-Q144 HydrophobicContact CD2-CB 4.17Å; L135-Q144 HydrophobicContact CD2-CG 3.99Å; L135-Q144 HydrophobicContact CG-CB 4.28Å; L135-Q144 HydrophobicContact CG-CG 4.35Å
136T96.3Very high97.2Very high137 Ų13763.2 Ų63.284%0.8437%0.369SS*.G310 helixtrans-72.2-20.6177.153.30000112.9T134T134-T136 PolarHBondContact O-N 3.2Å; T134-T136 PolarHBondContact OG1-OG1 2.98Å
137A95.6Very high97.2Very high51 Ų5159.4 Ų59.442%0.42135%0.354SS..G310 helixtrans-106.219.8175.700000111.8K133 T134 L135K133-A137 WeakPolarHBondContact CE-O 3.31Å; K133-A137 HydrophobicContact CG-CB 4.05Å; T134-A137 PolarHBondContact O-N 3.34Å; L135-A137 PolarHBondContact O-N 3.48Å
138A95.8Very high97.2Very high47 Ų4757.9 Ų57.939%0.38835%0.345SS..  trans-60.5135.7177.400000111.5L135 L143L135-A138 VanDerWaalsContact O-CB 3.31Å; L135-A138 WeakPolarHBondContact O-CB 3.49Å; L135-A138 PolarHBondContact O-N 3.31Å; A138-L143 HydrophobicContact CB-CD2 4.32Å; A138-L143 WeakPolarHBondContact CB-O 3.5Å
139D96Very high97.1Very high73 Ų7356.5 Ų56.539%0.3934%0.335SS..  trans-146.6-160.4178.258.929.8000110.4A66 K133 E141 S142A66-D139 WeakPolarHBondContact CB-O 3.5Å; K133-D139 IonicContact NZ-OD1 3.82Å; K133-D139 PolarHBondContact NZ-OD1 2.88Å; K133-D139 IonicContact NZ-OD2 3.47Å; K133-D139 PolarHBondContact NZ-OD2 3.08Å; D139-E141 VanDerWaalsContact C-N 3.31Å; D139-E141 WeakPolarHBondContact OD1-CA 3.46Å; D139-E141 WeakPolarHBondContact OD1-CB 3.03Å; D139-E141 PolarHBondContact OD1-N 3.46Å; D139-S142 PolarHBondContact N-O 3Å; D139-S142 VanDerWaalsContact N-O 3.1Å; D139-S142 PolarHBondContact OD1-N 3.2Å
140Q94.3Very high97Very high152 Ų15259 Ų5971%0.7134%0.336SS*.SBendtrans-75.2-19.2-179.6-61.4-57.4-50.200113.6
141E94.7Very high96.8Very high76 Ų7665 Ų6536%0.35535%0.351SS..SBendtrans-77.6-48.4179.2-55-54.8148.600109.7E97 E98 D139E97-E141 HydrophobicContact CB-CB 4.4Å; E97-E141 HydrophobicContact CB-CG 4.18Å; E98-E141 HydrophobicContact CG-CB 4.44Å; D139-E141 VanDerWaalsContact C-N 3.31Å; D139-E141 WeakPolarHBondContact OD1-CA 3.46Å; D139-E141 WeakPolarHBondContact OD1-CB 3.03Å; D139-E141 PolarHBondContact OD1-N 3.46Å
142S96.9Very high96.6Very high1 Ų164.1 Ų64.11%0.00735%0.345CS..EExtended strand (participates in β ladder)trans-162.415817867.60000112.3Q64 E98 K133 D139Q64-S142 WeakPolarHBondContact O-CA 3.32Å; Q64-S142 WeakPolarHBondContact O-CB 3.49Å; E98-S142 WeakPolarHBondContact CA-OG 3.32Å; E98-S142 WeakPolarHBondContact O-CB 3.36Å; E98-S142 PolarHBondContact O-OG 3.49Å; K133-S142 WeakPolarHBondContact CD-OG 3.39Å; K133-S142 WeakPolarHBondContact CE-OG 3.44Å; K133-S142 PolarHBondContact NZ-O 3.42Å; K133-S142 PolarHBondContact NZ-OG 2.94Å; D139-S142 PolarHBondContact N-O 3Å; D139-S142 VanDerWaalsContact N-O 3.1Å; D139-S142 PolarHBondContact OD1-N 3.2Å
143L97.9Very high96.3Very high18 Ų1867.6 Ų67.69%0.09438%0.375CS..EExtended strand (participates in β ladder)trans-79.6-40.7175.9-58.9-178.9000112.1Q64 A66 Y71 K72 L135 A138Q64-L143 HydrophobicContact CB-CB 4.29Å; Q64-L143 HydrophobicContact CG-CB 4.4Å; Q64-L143 HydrophobicContact CG-CD1 4.21Å; Q64-L143 PolarHBondContact O-N 3.47Å; A66-L143 HydrophobicContact CB-CD2 3.85Å; A66-L143 HydrophobicContact CB-CG 4.1Å; Y71-L143 HydrophobicContact CD2-CD1 4.46Å; Y71-L143 HydrophobicContact CE2-CD1 3.87Å; Y71-L143 HydrophobicContact CE2-CD2 4.09Å; Y71-L143 HydrophobicContact CE2-CG 4.47Å; K72-L143 HydrophobicContact CG-CD1 3.68Å; L135-L143 WeakPolarHBondContact CA-O 3.33Å; L135-L143 HydrophobicContact CD2-CB 4.25Å; A138-L143 HydrophobicContact CB-CD2 4.32Å; A138-L143 WeakPolarHBondContact CB-O 3.5Å
144Q98.3Very high96.1Very high46 Ų4669 Ų6922%0.21538%0.382CS..EExtended strand (participates in β ladder)trans-170.6171-178.756.9-179.3-27.500110.2Q64 W74 K133 L135Q64-Q144 HydrophobicContact CB-CG 3.88Å; Q64-Q144 PolarHBondContact N-O 3.4Å; W74-Q144 HydrophobicContact CH2-CG 3.83Å; W74-Q144 HydrophobicContact CZ2-CG 4.29Å; K133-Q144 CarbonylContact O-C 3.59Å; K133-Q144 WeakPolarHBondContact O-CA 3.39Å; L135-Q144 HydrophobicContact CD2-CB 4.17Å; L135-Q144 HydrophobicContact CD2-CG 3.99Å; L135-Q144 HydrophobicContact CG-CB 4.28Å; L135-Q144 HydrophobicContact CG-CG 4.35Å
145A98.5Very high96Very high4 Ų469.2 Ų69.23%0.03339%0.387CS..EExtended strand (participates in β ladder)trans-120.5158.3165.600000111.1L61 M62 V63 A99 M132 K133L61-A145 HydrophobicContact CD1-CB 4.14Å; M62-A145 CarbonylContact O-C 3.25Å; M62-A145 WeakPolarHBondContact O-CA 3.47Å; M62-A145 WeakPolarHBondContact O-CB 3.36Å; V63-A145 HydrophobicContact CG1-CB 4.13Å; A99-A145 HydrophobicContact CB-CB 3.72Å; M132-A145 HydrophobicContact CG-CB 4.04Å; K133-A145 PolarHBondContact O-N 2.76Å
146S98.3Very high96.1Very high48 Ų4865.9 Ų65.934%0.33637%0.37SS..EExtended strand (participates in β ladder)trans-152.6152.1176.4-173.20000110.4M62M62-S146 PolarHBondContact N-O 2.99Å; M62-S146 PolarHBondContact O-N 2.8Å
147W98.4Very high96.1Very high59 Ų5964.8 Ų64.822%0.22335%0.35CS..EExtended strand (participates in β ladder)trans-75.7140.5161.6-63.3114.7000109.4I53 N55 E59 V60 L61 F101 I127 M132I53-W147 HydrophobicContact CG2-CH2 4.02Å; I53-W147 HydrophobicContact CG2-CZ3 4.35Å; N55-W147 HydrophobicContact CB-CD2 3.88Å; N55-W147 HydrophobicContact CB-CE3 3.85Å; N55-W147 HydrophobicContact CB-CH2 3.84Å; N55-W147 HydrophobicContact CB-CZ2 3.86Å; N55-W147 HydrophobicContact CB-CZ3 3.82Å; N55-W147 VanDerWaalsContact N-CZ3 3.33Å; E59-W147 HydrophobicContact CB-CB 3.91Å; E59-W147 VanDerWaalsContact O-CE3 3.3Å; E59-W147 WeakPolarHBondContact OE2-CB 3.18Å; V60-W147 CarbonylContact O-C 3.43Å; V60-W147 WeakPolarHBondContact O-CA 3.28Å; L61-W147 HydrophobicContact CB-CE3 4.05Å; L61-W147 HydrophobicContact CB-CH2 4.08Å; L61-W147 HydrophobicContact CB-CZ3 3.61Å; L61-W147 HydrophobicContact CD1-CH2 4.5Å; F101-W147 HydrophobicContact CE2-CZ2 4.38Å; F101-W147 HydrophobicContact CZ-CZ2 4.47Å; I127-W147 HydrophobicContact CD1-CH2 3.45Å; I127-W147 VanDerWaalsContact CD1-CH2 3.45Å; I127-W147 HydrophobicContact CD1-CZ2 3.41Å; I127-W147 VanDerWaalsContact CD1-CZ2 3.41Å; M132-W147 HydrophobicContact CE-CD2 4.45Å; M132-W147 HydrophobicContact CE-CG 3.98Å
148W98.4Very high96Very high24 Ų2463.4 Ų63.49%0.09134%0.341CS..EExtended strand (participates in β ladder)trans-127.8124.6178.8-177.445.4000110.7E59 V60 M62 R150 S152 L154 L156 L162 I165E59-W148 CarbonylContact C-O 3.56Å; E59-W148 WeakPolarHBondContact CA-O 3.42Å; E59-W148 WeakPolarHBondContact CB-O 3.32Å; V60-W148 HydrophobicContact CG1-CB 4.16Å; V60-W148 HydrophobicContact CG1-CE3 3.83Å; V60-W148 PolarHBondContact N-O 3.37Å; V60-W148 PolarHBondContact O-N 2.77Å; M62-W148 HydrophobicContact CE-CE3 4.24Å; M62-W148 HydrophobicContact CG-CB 3.54Å; M62-W148 HydrophobicContact CG-CD2 4.43Å; M62-W148 HydrophobicContact CG-CE3 4.1Å; M62-W148 HydrophobicContact CG-CG 4.28Å; M62-W148 HydrophobicContact SD-CE3 4Å; W148-R150 VanDerWaalsContact CE2-CA 3.45Å; W148-R150 HydrophobicContact CE3-CB 4.48Å; W148-R150 HydrophobicContact CE3-CG 4.16Å; W148-R150 HydrophobicContact CH2-CB 4.42Å; W148-R150 HydrophobicContact CZ3-CB 4.38Å; W148-R150 HydrophobicContact CZ3-CG 4.27Å; W148-R150 PolarHBondContact O-N 3.36Å; W148-S152 PolarHBondContact NE1-O 2.96Å; W148-L154 HydrophobicContact CB-CD2 4.36Å; W148-L154 HydrophobicContact CD2-CB 4.47Å; W148-L154 HydrophobicContact CD2-CD2 3.8Å; W148-L154 HydrophobicContact CE3-CD2 4.28Å; W148-L154 HydrophobicContact CG-CD2 3.84Å; W148-L154 HydrophobicContact CZ2-CB 4.13Å; W148-L156 HydrophobicContact CH2-CD1 4.13Å; W148-L156 HydrophobicContact CH2-CD2 4.22Å; W148-L156 HydrophobicContact CZ3-CD2 4.24Å; W148-L162 HydrophobicContact CH2-CD2 4.05Å; W148-L162 HydrophobicContact CZ3-CD2 4.21Å; W148-I165 HydrophobicContact CZ3-CD1 4.28Å
149D96.7Very high96Very high45 Ų4571 Ų7124%0.24136%0.359CS..  trans-67.3-11.4178.359.511000114.1Q151 S152D149-Q151 PolarHBondContact O-N 3.01Å; D149-Q151 PolarHBondContact OD1-N 3.47Å; D149-S152 VanDerWaalsContact OD1-CB 3.31Å; D149-S152 WeakPolarHBondContact OD1-CB 3.44Å; D149-S152 PolarHBondContact OD1-N 2.75Å; D149-S152 PolarHBondContact OD1-OG 2.82Å; D149-S152 WeakPolarHBondContact OD2-CB 2.81Å; D149-S152 PolarHBondContact OD2-N 3.01Å; D149-S152 PolarHBondContact OD2-OG 3.39Å
150R95.6Very high96Very high80 Ų8070.7 Ų70.730%0.30236%0.357SS..SBendtrans70.56-172-48.9150.4-68.3-177.1-13.6114.4E58 V60 W148 I165E58-R150 PolarHBondContact O-NH2 2.71Å; V60-R150 HydrophobicContact CG1-CG 4.07Å; W148-R150 VanDerWaalsContact CE2-CA 3.45Å; W148-R150 HydrophobicContact CE3-CB 4.48Å; W148-R150 HydrophobicContact CE3-CG 4.16Å; W148-R150 HydrophobicContact CH2-CB 4.42Å; W148-R150 HydrophobicContact CZ3-CB 4.38Å; W148-R150 HydrophobicContact CZ3-CG 4.27Å; W148-R150 PolarHBondContact O-N 3.36Å; R150-I165 HydrophobicContact CG-CG2 4.36Å
151Q93.3Very high96.1Very high175 Ų17563.4 Ų63.482%0.81832%0.324SS*.SBendtrans-111.5-42.6-179.8-60.3-174.23.800111.6D149D149-Q151 PolarHBondContact O-N 3.01Å; D149-Q151 PolarHBondContact OD1-N 3.47Å
152S92.5Very high96.2Very high66 Ų6663 Ų6346%0.46232%0.323SS..SBendtrans-60.4140.6177.5-71.10000110.6W148 D149 L154W148-S152 PolarHBondContact NE1-O 2.96Å; D149-S152 VanDerWaalsContact OD1-CB 3.31Å; D149-S152 WeakPolarHBondContact OD1-CB 3.44Å; D149-S152 PolarHBondContact OD1-N 2.75Å; D149-S152 PolarHBondContact OD1-OG 2.82Å; D149-S152 WeakPolarHBondContact OD2-CB 2.81Å; D149-S152 PolarHBondContact OD2-N 3.01Å; D149-S152 PolarHBondContact OD2-OG 3.39Å; S152-L154 PolarHBondContact O-N 3.43Å
153S93Very high96.2Very high130 Ų13068.5 Ų68.591%0.90934%0.344SS*.  trans-64.4121.5179.3-173.80000110.4
154L93.9Very high96.2Very high43 Ų4367.6 Ų67.623%0.22534%0.339CS..  trans-133.6130.9178.9-157.569.6000109.3M62 W74 W148 S152 L156M62-L154 HydrophobicContact CB-CD2 4.42Å; M62-L154 HydrophobicContact CE-CD2 4.1Å; M62-L154 HydrophobicContact CG-CD2 4.19Å; W74-L154 HydrophobicContact CB-CD1 4.47Å; W74-L154 HydrophobicContact CB-CD2 3.52Å; W74-L154 HydrophobicContact CB-CG 3.76Å; W74-L154 HydrophobicContact CD2-CD1 3.88Å; W74-L154 HydrophobicContact CD2-CD2 4Å; W74-L154 HydrophobicContact CD2-CG 4.14Å; W74-L154 HydrophobicContact CE3-CD2 4.44Å; W74-L154 HydrophobicContact CG-CD1 3.73Å; W74-L154 HydrophobicContact CG-CD2 3.62Å; W74-L154 HydrophobicContact CG-CG 3.54Å; W74-L154 HydrophobicContact CZ2-CD1 4.47Å; W148-L154 HydrophobicContact CB-CD2 4.36Å; W148-L154 HydrophobicContact CD2-CB 4.47Å; W148-L154 HydrophobicContact CD2-CD2 3.8Å; W148-L154 HydrophobicContact CE3-CD2 4.28Å; W148-L154 HydrophobicContact CG-CD2 3.84Å; W148-L154 HydrophobicContact CZ2-CB 4.13Å; S152-L154 PolarHBondContact O-N 3.43Å; L154-L156 HydrophobicContact CB-CD2 4.14Å; L154-L156 HydrophobicContact CD2-CD2 3.95Å; L154-L156 HydrophobicContact CG-CD2 4.25Å; L154-L156 PolarHBondContact O-N 2.92Å
155S96Very high96.2Very high76 Ų7665.5 Ų65.553%0.53133%0.33SS..  trans-76.192.9177.6-173.40000109.4Q73 W74Q73-S155 CarbonylContact C-O 3.46Å; Q73-S155 VanDerWaalsContact CA-O 3.27Å; Q73-S155 WeakPolarHBondContact CA-O 3.27Å; W74-S155 PolarHBondContact N-O 3.48Å
156L97.1Very high96.1Very high33 Ų3369.8 Ų69.817%0.17335%0.352CS..BIsolated β-bridgetrans-77.2139.2-176.9-55.9-177.2000111.7M62 W74 W148 L154 G158 I161 L162M62-L156 HydrophobicContact CE-CD2 3.92Å; W74-L156 HydrophobicContact CB-CD2 4.34Å; W74-L156 CarbonylContact O-C 3.21Å; W74-L156 WeakPolarHBondContact O-CA 3.47Å; W148-L156 HydrophobicContact CH2-CD1 4.13Å; W148-L156 HydrophobicContact CH2-CD2 4.22Å; W148-L156 HydrophobicContact CZ3-CD2 4.24Å; L154-L156 HydrophobicContact CB-CD2 4.14Å; L154-L156 HydrophobicContact CD2-CD2 3.95Å; L154-L156 HydrophobicContact CG-CD2 4.25Å; L154-L156 PolarHBondContact O-N 2.92Å; L156-G158 VanDerWaalsContact C-N 3.32Å; L156-I161 HydrophobicContact CD1-CD1 4.4Å; L156-I161 HydrophobicContact CD2-CD1 4.24Å; L156-L162 HydrophobicContact CD1-CD2 3.92Å; L156-L162 HydrophobicContact CD1-CG 4.36Å
157R96.5Very high96Very high114 Ų11469.1 Ų69.143%0.4334%0.342SS..SBendtrans-63.3-39.9172.4172.8-178.1175.1-166.5-3.1111.6E65 C70 Q73 W74 Y75E65-R157 WeakPolarHBondContact OE1-CD 3.37Å; E65-R157 IonicContact OE1-CZ 2.97Å; E65-R157 IonicContact OE1-NE 3.69Å; E65-R157 IonicContact OE1-NH1 3.99Å; E65-R157 PolarHBondContact OE1-NH1 3Å; E65-R157 IonicContact OE2-NH1 3.62Å; C70-R157 HydrophobicContact CB-CB 4.49Å; C70-R157 HydrophobicContact CB-CG 3.81Å; Q73-R157 HydrophobicContact CB-CB 3.83Å; W74-R157 PolarHBondContact O-N 3.35Å; Y75-R157 HydrophobicContact CD2-CB 3.83Å; Y75-R157 HydrophobicContact CD2-CG 4.32Å; Y75-R157 HydrophobicContact CG-CB 4.35Å
158G94.4Very high96Very high21 Ų2166.3 Ų66.322%0.21633%0.332CS..  trans-150.2148176.800000110.1L156 D160 I161L156-G158 VanDerWaalsContact C-N 3.32Å; G158-D160 VanDerWaalsContact C-N 3.35Å; G158-I161 WeakPolarHBondContact O-CG1 3.43Å
159R95.2Very high95.9Very high208 Ų20865.7 Ų65.779%0.78533%0.33SS*.SBendtrans-87.5-5177.6-74.2-176.5169.2152.2-2.3113.4I161 L162R159-I161 PolarHBondContact O-N 2.77Å; R159-L162 HydrophobicContact CB-CD1 4.24Å; R159-L162 HydrophobicContact CG-CD1 4.34Å; R159-L162 WeakPolarHBondContact O-CB 3.49Å; R159-L162 WeakPolarHBondContact O-CG 3.22Å; R159-L162 PolarHBondContact O-N 3.35Å; R159-L162 VanDerWaalsContact O-N 3.17Å
160D95.1Very high95.9Very high65 Ų6570.6 Ų70.635%0.34835%0.345SS..Hα-helixtrans-60.9-30177.664.6-47.5000112.3Y75 R120 G158 L162 R163Y75-D160 VanDerWaalsContact OH-CG 3.28Å; Y75-D160 PolarHBondContact OH-OD1 3.35Å; Y75-D160 VanDerWaalsContact OH-OD1 3.08Å; Y75-D160 PolarHBondContact OH-OD2 3.41Å; R120-D160 IonicContact CZ-OD2 2.94Å; R120-D160 IonicContact NH1-OD2 4Å; R120-D160 PolarHBondContact NH1-OD2 3.25Å; R120-D160 IonicContact NH2-OD2 2.68Å; R120-D160 PolarHBondContact NH2-OD2 2.88Å; G158-D160 VanDerWaalsContact C-N 3.35Å; D160-L162 PolarHBondContact O-N 2.99Å; D160-R163 PolarHBondContact O-N 3.45Å
161I96.9Very high96Very high0 Ų067.5 Ų67.50%033%0.333CS..Hα-helixtrans-64.3-23.7176.863179.9000114.1M62 Y75 L76 L156 G158 R159 R163 L164 I165M62-I161 HydrophobicContact CE-CD1 3.69Å; Y75-I161 HydrophobicContact CD1-CG2 4.3Å; Y75-I161 HydrophobicContact CD2-CD1 3.99Å; Y75-I161 HydrophobicContact CD2-CG2 3.66Å; Y75-I161 HydrophobicContact CE1-CG2 3.82Å; Y75-I161 HydrophobicContact CE2-CB 4.38Å; Y75-I161 HydrophobicContact CE2-CD1 4.36Å; Y75-I161 HydrophobicContact CE2-CG2 3.13Å; Y75-I161 HydrophobicContact CG-CG2 4.22Å; Y75-I161 WeakPolarHBondContact OH-CG2 3.26Å; L76-I161 HydrophobicContact CB-CG2 4.44Å; L76-I161 HydrophobicContact CD1-CB 3.83Å; L76-I161 HydrophobicContact CD1-CG2 3.87Å; L76-I161 HydrophobicContact CG-CB 4.02Å; L76-I161 HydrophobicContact CG-CG2 3.98Å; L156-I161 HydrophobicContact CD1-CD1 4.4Å; L156-I161 HydrophobicContact CD2-CD1 4.24Å; G158-I161 WeakPolarHBondContact O-CG1 3.43Å; R159-I161 PolarHBondContact O-N 2.77Å; I161-R163 VanDerWaalsContact C-N 3.26Å; I161-R163 PolarHBondContact O-N 3.01Å; I161-L164 HydrophobicContact CG2-CD1 4.37Å; I161-L164 WeakPolarHBondContact O-CA 3.47Å; I161-L164 WeakPolarHBondContact O-CB 3.29Å; I161-L164 PolarHBondContact O-N 3.47Å; I161-I165 HydrophobicContact CG1-CD1 4.4Å; I161-I165 VanDerWaalsContact O-CG1 3.25Å; I161-I165 WeakPolarHBondContact O-CG1 3.41Å; I161-I165 PolarHBondContact O-N 2.9Å
162L97.1Very high96Very high67 Ų6763.9 Ų63.935%0.35132%0.316SS..Hα-helixtrans-60.1-42.9-179.3-62.6179000110.4W148 L156 R159 D160 L164 I165 D166W148-L162 HydrophobicContact CH2-CD2 4.05Å; W148-L162 HydrophobicContact CZ3-CD2 4.21Å; L156-L162 HydrophobicContact CD1-CD2 3.92Å; L156-L162 HydrophobicContact CD1-CG 4.36Å; R159-L162 HydrophobicContact CB-CD1 4.24Å; R159-L162 HydrophobicContact CG-CD1 4.34Å; R159-L162 WeakPolarHBondContact O-CB 3.49Å; R159-L162 WeakPolarHBondContact O-CG 3.22Å; R159-L162 PolarHBondContact O-N 3.35Å; R159-L162 VanDerWaalsContact O-N 3.17Å; D160-L162 PolarHBondContact O-N 2.99Å; L162-L164 VanDerWaalsContact C-N 3.33Å; L162-L164 PolarHBondContact O-N 3.49Å; L162-I165 PolarHBondContact O-N 2.83Å; L162-D166 PolarHBondContact O-N 2.85Å
163R96.2Very high96.2Very high116 Ų11668.3 Ų68.344%0.43832%0.323SS..Hα-helixtrans-65.4-36.7175.1-174.1174.1173.7-170.6-9.4111.9D160 I161 D166 Y167 Q335D160-R163 PolarHBondContact O-N 3.45Å; I161-R163 VanDerWaalsContact C-N 3.26Å; I161-R163 PolarHBondContact O-N 3.01Å; R163-D166 PolarHBondContact O-N 2.94Å; R163-Y167 HydrophobicContact CG-CD2 4.07Å; R163-Y167 HydrophobicContact CG-CE2 3.86Å; R163-Y167 PolarHBondContact NH2-OH 3.15Å; R163-Y167 WeakPolarHBondContact O-CD2 3.27Å; R163-Y167 PolarHBondContact O-N 3.07Å; R163-Q335 VanDerWaalsContact NH1-NE2 3.16Å
164L97.9Very high96.3Very high0 Ų066.2 Ų66.20%031%0.308CS..Hα-helixtrans-65.5-41.6177.8-53.2-175.1000111.4V52 L76 L110 I122 I161 L162 D166 Y167 G168V52-L164 HydrophobicContact CG2-CB 4.33Å; L76-L164 HydrophobicContact CD1-CB 4.12Å; L76-L164 HydrophobicContact CD1-CD1 4.22Å; L110-L164 HydrophobicContact CD2-CD2 3.62Å; I122-L164 HydrophobicContact CD1-CD2 4.29Å; I122-L164 HydrophobicContact CG1-CD1 3.92Å; I122-L164 HydrophobicContact CG1-CD2 3.9Å; I122-L164 HydrophobicContact CG1-CG 4.45Å; I122-L164 HydrophobicContact CG2-CB 4.31Å; I122-L164 HydrophobicContact CG2-CD1 4.45Å; I122-L164 HydrophobicContact CG2-CD2 4.44Å; I161-L164 HydrophobicContact CG2-CD1 4.37Å; I161-L164 WeakPolarHBondContact O-CA 3.47Å; I161-L164 WeakPolarHBondContact O-CB 3.29Å; I161-L164 PolarHBondContact O-N 3.47Å; L162-L164 VanDerWaalsContact C-N 3.33Å; L162-L164 PolarHBondContact O-N 3.49Å; L164-D166 VanDerWaalsContact C-N 3.35Å; L164-Y167 PolarHBondContact O-N 3.42Å; L164-G168 PolarHBondContact O-N 3.45Å
165I98.3Very high96.4Very high2 Ų267.9 Ų67.91%0.0132%0.321CS..Hα-helixtrans-62.1-44.2174.5-66163.4000110.1F54 V60 L76 W148 R150 I161 L162 Y167 G168 L169F54-I165 HydrophobicContact CE1-CG2 4.16Å; F54-I165 HydrophobicContact CZ-CG2 4.35Å; V60-I165 HydrophobicContact CG1-CD1 4.1Å; V60-I165 HydrophobicContact CG2-CD1 4.45Å; V60-I165 HydrophobicContact CG2-CG1 4.18Å; L76-I165 HydrophobicContact CD1-CG1 4.33Å; L76-I165 HydrophobicContact CD2-CD1 4.29Å; L76-I165 HydrophobicContact CD2-CG1 4.1Å; W148-I165 HydrophobicContact CZ3-CD1 4.28Å; R150-I165 HydrophobicContact CG-CG2 4.36Å; I161-I165 HydrophobicContact CG1-CD1 4.4Å; I161-I165 VanDerWaalsContact O-CG1 3.25Å; I161-I165 WeakPolarHBondContact O-CG1 3.41Å; I161-I165 PolarHBondContact O-N 2.9Å; L162-I165 PolarHBondContact O-N 2.83Å; I165-Y167 PolarHBondContact O-N 3Å; I165-G168 WeakPolarHBondContact O-CA 3.33Å; I165-G168 PolarHBondContact O-N 2.79Å; I165-G168 VanDerWaalsContact O-N 3.09Å; I165-L169 HydrophobicContact CG2-CD1 3.82Å; I165-L169 HydrophobicContact CG2-CG 4.39Å; I165-L169 WeakPolarHBondContact O-CG 3.3Å; I165-L169 PolarHBondContact O-N 3.26Å
166D97.1Very high96.4Very high93 Ų9366.8 Ų66.850%0.49731%0.306SS..Hα-helixtrans-60.4-41.9176.1-70.6-23.1000112.5L162 R163 L164 G168 L169 R170L162-D166 PolarHBondContact O-N 2.85Å; R163-D166 PolarHBondContact O-N 2.94Å; L164-D166 VanDerWaalsContact C-N 3.35Å; D166-G168 VanDerWaalsContact C-N 3.34Å; D166-L169 PolarHBondContact O-N 2.78Å; D166-R170 WeakPolarHBondContact O-CB 3.29Å; D166-R170 VanDerWaalsContact O-CG 3.31Å; D166-R170 WeakPolarHBondContact O-CG 3.44Å; D166-R170 PolarHBondContact O-N 3Å
167Y96.9Very high96.3Very high35 Ų3565.7 Ų65.714%0.13730%0.3CS..Hα-helixtrans-59.3-45.7171.7-85.8-76.4000111.2L110 R163 L164 I165 L169 R170 Y171 W176 P333L110-Y167 HydrophobicContact CD2-CD2 4.29Å; L110-Y167 HydrophobicContact CD2-CE2 4.09Å; R163-Y167 HydrophobicContact CG-CD2 4.07Å; R163-Y167 HydrophobicContact CG-CE2 3.86Å; R163-Y167 PolarHBondContact NH2-OH 3.15Å; R163-Y167 WeakPolarHBondContact O-CD2 3.27Å; R163-Y167 PolarHBondContact O-N 3.07Å; L164-Y167 PolarHBondContact O-N 3.42Å; I165-Y167 PolarHBondContact O-N 3Å; Y167-L169 PolarHBondContact O-N 2.73Å; Y167-R170 PolarHBondContact O-N 2.89Å; Y167-Y171 WeakPolarHBondContact O-CB 3.38Å; Y167-Y171 PolarHBondContact O-N 3.47Å; Y167-W176 AromaticContact CD1-CH2 3.58Å; Y167-W176 HydrophobicContact CD1-CH2 3.58Å; Y167-W176 AromaticContact CD1-CZ2 3.74Å; Y167-W176 HydrophobicContact CD1-CZ2 3.74Å; Y167-W176 HydrophobicContact CD1-CZ3 4.45Å; Y167-W176 HydrophobicContact CE1-CH2 4.45Å; Y167-W176 HydrophobicContact CE1-CZ2 4.21Å; Y167-W176 HydrophobicContact CG-CH2 4.44Å; Y167-W176 WeakPolarHBondContact O-CZ3 3.26Å; Y167-P333 HydrophobicContact CE1-CG 3.91Å
168G97.8Very high96.2Very high0 Ų063.1 Ų63.10%031%0.309CS..Hα-helixtrans-59.5-45.2177.800000112.9F54 L164 I165 D166 Y171 H172F54-G168 VanDerWaalsContact CE2-C 3.47Å; L164-G168 PolarHBondContact O-N 3.45Å; I165-G168 WeakPolarHBondContact O-CA 3.33Å; I165-G168 PolarHBondContact O-N 2.79Å; I165-G168 VanDerWaalsContact O-N 3.09Å; D166-G168 VanDerWaalsContact C-N 3.34Å; G168-Y171 PolarHBondContact O-N 2.73Å; G168-H172 WeakPolarHBondContact O-CB 3.37Å; G168-H172 PolarHBondContact O-N 2.92Å
169L97.2Very high96.2Very high10 Ų1065.7 Ų65.75%0.05233%0.328CS..Hα-helixtrans-67.1-43.9179.4-69.6159.1000112.3F54 E58 I165 D166 Y167 Y171 H172 R173F54-L169 HydrophobicContact CD1-CD2 4.1Å; F54-L169 HydrophobicContact CE1-CD2 3.6Å; F54-L169 HydrophobicContact CE1-CG 3.82Å; F54-L169 HydrophobicContact CE2-CD2 4.37Å; F54-L169 HydrophobicContact CE2-CG 4.41Å; F54-L169 HydrophobicContact CZ-CD2 3.76Å; F54-L169 HydrophobicContact CZ-CG 3.62Å; E58-L169 HydrophobicContact CB-CD2 4.41Å; I165-L169 HydrophobicContact CG2-CD1 3.82Å; I165-L169 HydrophobicContact CG2-CG 4.39Å; I165-L169 WeakPolarHBondContact O-CG 3.3Å; I165-L169 PolarHBondContact O-N 3.26Å; D166-L169 PolarHBondContact O-N 2.78Å; Y167-L169 PolarHBondContact O-N 2.73Å; L169-Y171 VanDerWaalsContact C-N 3.27Å; L169-Y171 PolarHBondContact O-N 3.33Å; L169-H172 PolarHBondContact O-N 3.01Å; L169-R173 WeakPolarHBondContact O-CB 3.33Å; L169-R173 VanDerWaalsContact O-CG 3.31Å; L169-R173 WeakPolarHBondContact O-CG 3.48Å; L169-R173 PolarHBondContact O-N 3.41Å
170R96.7Very high96.2Very high149 Ų14956.4 Ų56.456%0.56230%0.295SS*.Hα-helixtrans-57.5-45.7174.9-77.4178.962.4-170.6-2.8110.3D166 Y167 S174 W176D166-R170 WeakPolarHBondContact O-CB 3.29Å; D166-R170 VanDerWaalsContact O-CG 3.31Å; D166-R170 WeakPolarHBondContact O-CG 3.44Å; D166-R170 PolarHBondContact O-N 3Å; Y167-R170 PolarHBondContact O-N 2.89Å; R170-S174 CarbonylContact O-C 3.59Å; R170-S174 PolarHBondContact O-N 3.49Å; R170-W176 HydrophobicContact CB-CE3 4.34Å; R170-W176 HydrophobicContact CB-CZ3 3.96Å
171Y97.4Very high96.3Very high14 Ų1456.2 Ų56.26%0.05529%0.293CS..Hα-helixtrans-67.6-45.8-179.4-165.2-83.4000110.9T107 L109 L124 Y167 G168 L169 R173 S174 P175 W176 H177 A179T107-Y171 HydrophobicContact CG2-CD1 3.97Å; T107-Y171 HydrophobicContact CG2-CD2 4.27Å; T107-Y171 HydrophobicContact CG2-CE1 3.57Å; T107-Y171 HydrophobicContact CG2-CE2 3.91Å; T107-Y171 HydrophobicContact CG2-CG 4.31Å; L109-Y171 VanDerWaalsContact CD2-CB 3.48Å; L109-Y171 HydrophobicContact CD2-CD1 4.49Å; L109-Y171 HydrophobicContact CD2-CD2 4.12Å; L109-Y171 HydrophobicContact CD2-CG 3.78Å; L124-Y171 HydrophobicContact CD2-CD1 3.56Å; L124-Y171 HydrophobicContact CD2-CE1 4.24Å; L124-Y171 HydrophobicContact CD2-CG 4.35Å; Y167-Y171 WeakPolarHBondContact O-CB 3.38Å; Y167-Y171 PolarHBondContact O-N 3.47Å; G168-Y171 PolarHBondContact O-N 2.73Å; L169-Y171 VanDerWaalsContact C-N 3.27Å; L169-Y171 PolarHBondContact O-N 3.33Å; Y171-R173 VanDerWaalsContact C-N 3.28Å; Y171-R173 PolarHBondContact O-N 3.23Å; Y171-S174 CarbonylContact O-C 3.32Å; Y171-S174 PolarHBondContact O-N 3.03Å; Y171-P175 HydrophobicContact CD1-CB 4.35Å; Y171-P175 HydrophobicContact CD1-CG 4.27Å; Y171-P175 HydrophobicContact CD2-CB 4.32Å; Y171-P175 HydrophobicContact CE1-CB 3.97Å; Y171-P175 HydrophobicContact CE1-CG 4.01Å; Y171-P175 HydrophobicContact CE2-CB 3.92Å; Y171-P175 WeakPolarHBondContact O-CD 3.44Å; Y171-P175 VanDerWaalsContact O-CG 3.3Å; Y171-P175 WeakPolarHBondContact O-CG 3.48Å; Y171-P175 VanDerWaalsContact O-N 3.1Å; Y171-W176 VanDerWaalsContact CB-CZ3 3.47Å; Y171-W176 HydrophobicContact CD2-CD2 4.47Å; Y171-W176 HydrophobicContact CD2-CE3 4.01Å; Y171-W176 AromaticContact CD2-CH2 3.92Å; Y171-W176 HydrophobicContact CD2-CH2 3.92Å; Y171-W176 HydrophobicContact CD2-CZ2 4.41Å; Y171-W176 AromaticContact CD2-CZ3 3.77Å; Y171-W176 HydrophobicContact CD2-CZ3 3.77Å; Y171-W176 HydrophobicContact CG-CH2 4.44Å; Y171-W176 HydrophobicContact CG-CZ3 4.12Å; Y171-H177 AromaticContact CE2-CE1 3.64Å; Y171-H177 AromaticContact CE2-ND1 3.84Å; Y171-H177 AromaticContact CE2-NE2 3.79Å; Y171-H177 VanDerWaalsContact CE2-O 3.28Å; Y171-H177 WeakPolarHBondContact CE2-O 3.41Å; Y171-H177 PolarHBondContact OH-O 3.43Å; Y171-A179 WeakPolarHBondContact OH-CA 3.4Å; Y171-A179 PolarHBondContact OH-N 3.43Å
172H93.9Very high96.3Very high100 Ų10056.7 Ų56.746%0.46330%0.297SS..Hα-helixtrans-57.9-40.7-179.8-176.268.1000112.1F54 G168 L169F54-H172 HydrophobicContact CD2-CB 4.49Å; G168-H172 WeakPolarHBondContact O-CB 3.37Å; G168-H172 PolarHBondContact O-N 2.92Å; L169-H172 PolarHBondContact O-N 3.01Å
173R95Very high96.3Very high159 Ų15955.7 Ų55.760%0.629%0.292SS*.Hα-helixtrans-81.2-39.2179.7-66.3172.2-179.2172.5-1.7113.3E58 L169 Y171E58-R173 IonicContact OE1-CZ 3.69Å; E58-R173 IonicContact OE1-NE 2.91Å; E58-R173 PolarHBondContact OE1-NE 3.43Å; E58-R173 IonicContact OE1-NH2 3.88Å; E58-R173 IonicContact OE2-CZ 3.5Å; E58-R173 IonicContact OE2-NE 3.52Å; E58-R173 IonicContact OE2-NH2 3.22Å; E58-R173 PolarHBondContact OE2-NH2 2.86Å; L169-R173 WeakPolarHBondContact O-CB 3.33Å; L169-R173 VanDerWaalsContact O-CG 3.31Å; L169-R173 WeakPolarHBondContact O-CG 3.48Å; L169-R173 PolarHBondContact O-N 3.41Å; Y171-R173 VanDerWaalsContact C-N 3.28Å; Y171-R173 PolarHBondContact O-N 3.23Å
174S96.4Very high96.3Very high85 Ų8555.6 Ų55.659%0.59430%0.3SS*.SBendtrans-154.791.8-177.8-178.10000110.1R170 Y171 W176R170-S174 CarbonylContact O-C 3.59Å; R170-S174 PolarHBondContact O-N 3.49Å; Y171-S174 CarbonylContact O-C 3.32Å; Y171-S174 PolarHBondContact O-N 3.03Å; S174-W176 PolarHBondContact O-N 3.4Å
175P96.5Very high96.2Very high78 Ų7857.5 Ų57.551%0.50631%0.31SS..  trans-53.6124.2176.8-26.935000111.4Y171Y171-P175 HydrophobicContact CD1-CB 4.35Å; Y171-P175 HydrophobicContact CD1-CG 4.27Å; Y171-P175 HydrophobicContact CD2-CB 4.32Å; Y171-P175 HydrophobicContact CE1-CB 3.97Å; Y171-P175 HydrophobicContact CE1-CG 4.01Å; Y171-P175 HydrophobicContact CE2-CB 3.92Å; Y171-P175 WeakPolarHBondContact O-CD 3.44Å; Y171-P175 VanDerWaalsContact O-CG 3.3Å; Y171-P175 WeakPolarHBondContact O-CG 3.48Å; Y171-P175 VanDerWaalsContact O-N 3.1Å
176W95.2Very high95.8Very high53 Ų5359.9 Ų59.920%0.20133%0.327CS..SBendtrans-97.8-8.9177.572.488.5000113.2L109 Y167 R170 Y171 S174 T330 P333L109-W176 HydrophobicContact CD2-CH2 4.19Å; Y167-W176 AromaticContact CD1-CH2 3.58Å; Y167-W176 HydrophobicContact CD1-CH2 3.58Å; Y167-W176 AromaticContact CD1-CZ2 3.74Å; Y167-W176 HydrophobicContact CD1-CZ2 3.74Å; Y167-W176 HydrophobicContact CD1-CZ3 4.45Å; Y167-W176 HydrophobicContact CE1-CH2 4.45Å; Y167-W176 HydrophobicContact CE1-CZ2 4.21Å; Y167-W176 HydrophobicContact CG-CH2 4.44Å; Y167-W176 WeakPolarHBondContact O-CZ3 3.26Å; R170-W176 HydrophobicContact CB-CE3 4.34Å; R170-W176 HydrophobicContact CB-CZ3 3.96Å; Y171-W176 VanDerWaalsContact CB-CZ3 3.47Å; Y171-W176 HydrophobicContact CD2-CD2 4.47Å; Y171-W176 HydrophobicContact CD2-CE3 4.01Å; Y171-W176 AromaticContact CD2-CH2 3.92Å; Y171-W176 HydrophobicContact CD2-CH2 3.92Å; Y171-W176 HydrophobicContact CD2-CZ2 4.41Å; Y171-W176 AromaticContact CD2-CZ3 3.77Å; Y171-W176 HydrophobicContact CD2-CZ3 3.77Å; Y171-W176 HydrophobicContact CG-CH2 4.44Å; Y171-W176 HydrophobicContact CG-CZ3 4.12Å; S174-W176 PolarHBondContact O-N 3.4Å; W176-T330 VanDerWaalsContact O-CA 3.24Å; W176-T330 WeakPolarHBondContact O-CA 3.2Å; W176-T330 WeakPolarHBondContact O-CB 3.38Å; W176-T330 VanDerWaalsContact O-CG2 3.29Å; W176-T330 WeakPolarHBondContact O-CG2 3.28Å; W176-P333 HydrophobicContact CZ2-CG 4.39Å
177H95.8Very high95.5Very high10 Ų1055.8 Ų55.85%0.04631%0.305CS..SBendtrans-139156.1170.368.877.6000109.8T107 L108 Y171 T330T107-H177 PolarHBondContact OG1-CE1 2.97Å; L108-H177 PolarHBondContact O-CE1 2.8Å; L108-H177 PolarHBondContact O-NE2 3.06Å; Y171-H177 AromaticContact CE2-CE1 3.64Å; Y171-H177 AromaticContact CE2-ND1 3.84Å; Y171-H177 AromaticContact CE2-NE2 3.79Å; Y171-H177 VanDerWaalsContact CE2-O 3.28Å; Y171-H177 WeakPolarHBondContact CE2-O 3.41Å; Y171-H177 PolarHBondContact OH-O 3.43Å; H177-T330 WeakPolarHBondContact CB-O 3.48Å
178G93.4Very high95.4Very high60 Ų6061.5 Ų61.562%0.61933%0.326SS*.  trans-60.3150.8174.500000111.7S180G178-S180 PolarHBondContact O-N 2.65Å
179A95.2Very high95.2Very high75 Ų7562.7 Ų62.762%0.6233%0.332SS*.  trans-58125178.100000110.2Y171Y171-A179 WeakPolarHBondContact OH-CA 3.4Å; Y171-A179 PolarHBondContact OH-N 3.43Å
180S94.6Very high95.1Very high13 Ų1362.5 Ų62.59%0.09133%0.331CS..  trans-128.9119.5-176.8179.70000109.6T107 L108 G178T107-S180 CarbonylContact C-O 3.6Å; T107-S180 PolarHBondContact OG1-N 3.48Å; T107-S180 PolarHBondContact OG1-O 2.86Å; L108-S180 PolarHBondContact N-O 3.44Å; G178-S180 PolarHBondContact O-N 2.65Å
181L97.4Very high95.1Very high61 Ų6155.5 Ų55.532%0.31930%0.304SS..  trans-116.6158.8171.1-65.9178.9000109.6P105 F123 L183P105-L181 HydrophobicContact CB-CD2 3.77Å; P105-L181 HydrophobicContact CG-CD1 4.32Å; P105-L181 HydrophobicContact CG-CD2 4.17Å; F123-L181 HydrophobicContact CD1-CD2 4.08Å; F123-L181 HydrophobicContact CE1-CD2 3.96Å; L181-L183 PolarHBondContact O-N 3.03Å
182P97.3Very high95Very high11 Ų1154.9 Ų54.97%0.07130%0.302CS..  trans-51.9131.7173.1-2330.9000112.1L87 E88 L108 F123 L257L87-P182 HydrophobicContact CB-CG 4.14Å; L87-P182 HydrophobicContact CD1-CB 4.38Å; L87-P182 HydrophobicContact CD1-CG 3.84Å; L87-P182 HydrophobicContact CG-CG 4.44Å; E88-P182 WeakPolarHBondContact OE1-CD 3.46Å; L108-P182 HydrophobicContact CD1-CG 4.45Å; F123-P182 HydrophobicContact CE1-CG 4.34Å; F123-P182 HydrophobicContact CZ-CG 4.08Å; P182-L257 CarbonylContact C-O 3.59Å; P182-L257 WeakPolarHBondContact CA-O 3.26Å; P182-L257 HydrophobicContact CB-CD2 4.43Å; P182-L257 HydrophobicContact CG-CD2 4.14Å
183L97.3Very high95.1Very high46 Ų4650.7 Ų50.724%0.24128%0.282CS..BIsolated β-bridgetrans-80.9134.9169.8-60174.4000108.9Q22 G23 L181 L185 L257 Q258 H259Q22-L183 VanDerWaalsContact C-CD1 3.48Å; G23-L183 VanDerWaalsContact N-CD1 3.31Å; L181-L183 PolarHBondContact O-N 3.03Å; L183-L185 HydrophobicContact CB-CD1 4.25Å; L183-L185 HydrophobicContact CB-CG 4.46Å; L183-L185 HydrophobicContact CD1-CD1 4.46Å; L183-L185 PolarHBondContact O-N 3.44Å; L183-L257 PolarHBondContact N-O 3.12Å; L183-Q258 HydrophobicContact CB-CG 4.3Å; L183-Q258 HydrophobicContact CD1-CG 4.25Å; L183-H259 PolarHBondContact O-N 3.22Å
184D95.7Very high95.1Very high113 Ų11343.1 Ų43.160%0.60425%0.254SS*.SBendtrans-76.366.7179.4-16519.6000111.4N260D184-N260 PolarHBondContact OD1-ND2 2.92Å
185L95.3Very high95.1Very high41 Ų4139.1 Ų39.122%0.21523%0.226CC..  trans-128.7132-178.8-70.7171.5000109E25 L183 Q258 H259 N260E25-L185 HydrophobicContact CG-CD2 4.17Å; L183-L185 HydrophobicContact CB-CD1 4.25Å; L183-L185 HydrophobicContact CB-CG 4.46Å; L183-L185 HydrophobicContact CD1-CD1 4.46Å; L183-L185 PolarHBondContact O-N 3.44Å; L185-Q258 HydrophobicContact CB-CB 4.11Å; L185-Q258 HydrophobicContact CB-CG 4.34Å; L185-Q258 HydrophobicContact CD1-CG 4.35Å; L185-H259 CarbonylContact O-C 3.49Å; L185-H259 PolarHBondContact O-N 2.98Å; L185-N260 PolarHBondContact O-N 2.75Å
186S90.6Very high95.2Very high52 Ų5235.4 Ų35.436%0.36420%0.202SC..  trans-78.4144-175.1770000112.6
187C91.1Very high95.3Very high6 Ų633 Ų334%0.04119%0.192CC..EExtended strand (participates in β ladder)trans-139143.9169.1-163.70000109.1H189 T267 G269 C271C187-H189 PolarHBondContact SG-O 2.89Å; C187-T267 CarbonylContact O-C 3.56Å; C187-T267 WeakPolarHBondContact O-CA 3.49Å; C187-T267 VanDerWaalsContact O-O 3.14Å; C187-G269 WeakPolarHBondContact O-CA 3.49Å; C187-G269 PolarHBondContact O-N 2.79Å; C187-C271 HydrophobicContact CB-CB 4.43Å
188R93.1Very high95.4Very high156 Ų15632.5 Ų32.559%0.58919%0.19SC*.EExtended strand (participates in β ladder)trans-90.7-27.4-179.3-177176.1-175.7-177.4-0.5112.9P38 A39 R266P38-R188 CarbonylContact C-O 3.58Å; P38-R188 WeakPolarHBondContact CA-O 3.47Å; P38-R188 HydrophobicContact CB-CG 4.03Å; A39-R188 PolarHBondContact N-O 3.14Å; R188-R266 WeakPolarHBondContact CA-O 3.33Å
189H94.7Very high95.5Very high24 Ų2432 Ų3211%0.11118%0.175CC..EExtended strand (participates in β ladder)trans-121.3168.6-177.4-70.2-108.5000109.3S36 K37 C187 V191 G269 V270S36-H189 PolarHBondContact OG-ND1 2.9Å; K37-H189 PolarHBondContact O-ND1 2.87Å; C187-H189 PolarHBondContact SG-O 2.89Å; H189-V191 HydrophobicContact CB-CG1 3.74Å; H189-G269 CarbonylContact O-C 3.52Å; H189-G269 VanDerWaalsContact O-CA 3.29Å; H189-G269 WeakPolarHBondContact O-CA 3.22Å; H189-V270 PolarHBondContact O-N 3.32Å; H189-V270 VanDerWaalsContact O-N 3.1Å
190I94.9Very high95.3Very high6 Ų628.7 Ų28.73%0.03115%0.148CC..EExtended strand (participates in β ladder)trans-85.8116.3163.2-63.6165.9000106.6A39 V45 Y47 P116 I119 A222 V270 F272A39-I190 HydrophobicContact CB-CG1 4.4Å; V45-I190 HydrophobicContact CB-CD1 4.43Å; V45-I190 HydrophobicContact CG1-CD1 3.64Å; Y47-I190 HydrophobicContact CE1-CD1 4.25Å; Y47-I190 WeakPolarHBondContact OH-CG1 3.39Å; P116-I190 HydrophobicContact CB-CB 4.41Å; P116-I190 HydrophobicContact CB-CD1 3.94Å; P116-I190 WeakPolarHBondContact O-CD1 3.46Å; I119-I190 HydrophobicContact CD1-CD1 4.06Å; I119-I190 HydrophobicContact CD1-CG2 4.26Å; I190-A222 HydrophobicContact CB-CB 4.2Å; I190-A222 HydrophobicContact CG2-CB 3.7Å; I190-A222 PolarHBondContact O-N 3.07Å; I190-V270 CarbonylContact C-O 3.59Å; I190-V270 WeakPolarHBondContact CA-O 3.47Å; I190-F272 HydrophobicContact CG2-CE2 3.95Å
191V95.6Very high95Very high2 Ų229.5 Ų29.51%0.01216%0.156CC..EExtended strand (participates in β ladder)trans-134.5159.8-175.1-55.60000110.6V26 H189 T219 A220 A221 V270 C271 F272V26-V191 HydrophobicContact CG1-CG2 4.12Å; V26-V191 HydrophobicContact CG2-CG2 4.05Å; H189-V191 HydrophobicContact CB-CG1 3.74Å; V191-T219 HydrophobicContact CB-CG2 4.1Å; V191-T219 HydrophobicContact CG2-CG2 4.18Å; V191-A220 CarbonylContact C-O 3.59Å; V191-A220 WeakPolarHBondContact CA-O 3.37Å; V191-A220 WeakPolarHBondContact CB-O 3.45Å; V191-A221 HydrophobicContact CG1-CB 4.44Å; V191-V270 PolarHBondContact N-O 2.96Å; V191-C271 HydrophobicContact CG2-CB 3.61Å; V191-C271 WeakPolarHBondContact O-CA 3.34Å; V191-F272 PolarHBondContact O-N 3.14Å
192Q95.3Very high94.7Very high1 Ų135 Ų351%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-122.2128.6166.4-51.8-163.4-4900109.8T219 A220 V228 A231 F272Q192-T219 CarbonylContact O-C 3.49Å; Q192-T219 VanDerWaalsContact O-CA 3.28Å; Q192-T219 WeakPolarHBondContact O-CA 3.21Å; Q192-A220 PolarHBondContact N-O 2.81Å; Q192-A220 PolarHBondContact O-N 3.03Å; Q192-V228 VanDerWaalsContact CD-C 3.48Å; Q192-V228 HydrophobicContact CG-CG1 4.09Å; Q192-V228 WeakPolarHBondContact CG-O 3.37Å; Q192-V228 VanDerWaalsContact NE2-C 3.27Å; Q192-V228 PolarHBondContact NE2-O 3.16Å; Q192-V228 PolarHBondContact OE1-O 3.41Å; Q192-A231 HydrophobicContact CB-CB 3.57Å; Q192-A231 HydrophobicContact CG-CB 4.01Å; Q192-F272 CarbonylContact C-O 3.47Å; Q192-F272 VanDerWaalsContact CA-O 3.23Å; Q192-F272 WeakPolarHBondContact CA-O 3.42Å; Q192-F272 HydrophobicContact CG-CB 4.21Å; Q192-F272 HydrophobicContact CG-CD2 4.32Å
193R96.1Very high94.4Very high12 Ų1240.7 Ų40.75%0.04520%0.203CC..EExtended strand (participates in β ladder)trans-94.5112.6165.1-178.3-175-61.8146.5-9.9107S24 E25 L217 F272 N273 T274S24-R193 PolarHBondContact O-NH1 3.38Å; S24-R193 VanDerWaalsContact O-NH1 3.13Å; S24-R193 PolarHBondContact O-NH2 2.83Å; S24-R193 PolarHBondContact OG-NH1 2.87Å; S24-R193 VanDerWaalsContact OG-NH1 3.13Å; S24-R193 PolarHBondContact OG-NH2 2.83Å; E25-R193 PolarHBondContact O-NH2 3.03Å; R193-L217 HydrophobicContact CG-CB 3.89Å; R193-L217 HydrophobicContact CG-CD1 4.32Å; R193-F272 PolarHBondContact N-O 2.89Å; R193-N273 WeakPolarHBondContact CB-OD1 3.36Å; R193-N273 WeakPolarHBondContact CD-OD1 3.5Å; R193-N273 PolarHBondContact NH1-OD1 2.98Å; R193-N273 CarbonylContact O-C 3.46Å; R193-N273 WeakPolarHBondContact O-CA 3.4Å; R193-T274 PolarHBondContact O-N 2.81Å
194T95.5Very high94.3Very high1 Ų142.1 Ų42.11%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-105.5124.7-168.5-60.30000110.8L196 P218 A232 T274 A276T194-L196 HydrophobicContact CG2-CB 4.18Å; T194-L196 PolarHBondContact O-N 3.43Å; T194-P218 PolarHBondContact N-O 3.4Å; T194-A232 HydrophobicContact CG2-CB 3.76Å; T194-T274 PolarHBondContact OG1-OG1 3.03Å; T194-A276 HydrophobicContact CG2-CB 3.94Å
195L97.6Very high94.4Very high1 Ų136.8 Ų36.81%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-87.993.9162.5177.656.1000108.5V15 L197 I207 L217 L255 T274 L275 A276 L322V15-L195 HydrophobicContact CG1-CD1 4.39Å; V15-L195 HydrophobicContact CG1-CD2 3.59Å; V15-L195 HydrophobicContact CG2-CD1 4.01Å; V15-L195 HydrophobicContact CG2-CD2 4.44Å; L195-L197 HydrophobicContact CD1-CD2 3.93Å; L195-L197 HydrophobicContact CG-CD2 3.94Å; L195-I207 HydrophobicContact CD1-CB 4.26Å; L195-I207 HydrophobicContact CD1-CD1 3.78Å; L195-I207 HydrophobicContact CD1-CG1 3.8Å; L195-I207 HydrophobicContact CD1-CG2 3.49Å; L195-I207 VanDerWaalsContact CD1-CG2 3.49Å; L195-L217 HydrophobicContact CB-CD1 4.49Å; L195-L217 HydrophobicContact CD1-CD2 3.8Å; L195-L255 HydrophobicContact CD2-CD1 4.28Å; L195-T274 WeakPolarHBondContact CB-O 3.49Å; L195-T274 PolarHBondContact N-O 2.7Å; L195-L275 HydrophobicContact CB-CD1 4.05Å; L195-L275 HydrophobicContact CD2-CD1 3.62Å; L195-L275 HydrophobicContact CG-CD1 3.64Å; L195-A276 PolarHBondContact O-N 3.48Å; L195-L322 HydrophobicContact CD2-CD2 3.82Å
196L98.2Very high94.5Very high0 Ų035.5 Ų35.50%017%0.169CC..EExtended strand (participates in β ladder)trans-91112.1178.9-178.461.3000110.2T194 I207 L208 A232 A236 V249 A276 L278T194-L196 HydrophobicContact CG2-CB 4.18Å; T194-L196 PolarHBondContact O-N 3.43Å; L196-I207 WeakPolarHBondContact O-CA 3.35Å; L196-L208 HydrophobicContact CB-CB 4.19Å; L196-L208 HydrophobicContact CD2-CB 4.25Å; L196-L208 HydrophobicContact CD2-CD2 3.77Å; L196-L208 HydrophobicContact CG-CB 4.46Å; L196-L208 PolarHBondContact O-N 2.97Å; L196-A232 HydrophobicContact CD1-CB 4.46Å; L196-A236 HydrophobicContact CD2-CB 4.09Å; L196-V249 HydrophobicContact CD1-CG1 4.23Å; L196-A276 HydrophobicContact CD1-CB 3.84Å; L196-L278 HydrophobicContact CD1-CB 4.12Å; L196-L278 HydrophobicContact CG-CB 4.48Å
197L97.8Very high94.9Very high1 Ų133 Ų331%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-93147.1-179.4-59.7-171.3000112.3L195 V205 W206 I207 L275 A276 A277 L278 L322L195-L197 HydrophobicContact CD1-CD2 3.93Å; L195-L197 HydrophobicContact CG-CD2 3.94Å; L197-V205 HydrophobicContact CD2-CG1 4.29Å; L197-W206 CarbonylContact C-O 3.56Å; L197-W206 WeakPolarHBondContact CA-O 3.39Å; L197-I207 HydrophobicContact CD2-CG1 3.81Å; L197-L275 HydrophobicContact CD1-CD1 3.7Å; L197-L275 HydrophobicContact CD1-CG 4.47Å; L197-L275 HydrophobicContact CD2-CD1 4.37Å; L197-L275 HydrophobicContact CG-CD1 3.75Å; L197-A276 PolarHBondContact N-O 2.84Å; L197-A277 WeakPolarHBondContact O-CA 3.3Å; L197-L278 PolarHBondContact O-N 3.25Å; L197-L322 HydrophobicContact CD1-CB 4.14Å; L197-L322 HydrophobicContact CD1-CD2 4.2Å; L197-L322 HydrophobicContact CD2-CD1 4.23Å; L197-L322 HydrophobicContact CD2-CD2 4.23Å
198F97.4Very high95.2Very high1 Ų132.7 Ų32.70%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-124.3130.2157.5179.7-88.1000108.6W206 L278 P280 P297 T299 P300 W310F198-W206 HydrophobicContact CB-CB 4.41Å; F198-W206 AromaticContact CD1-CE3 3.77Å; F198-W206 HydrophobicContact CD1-CE3 3.77Å; F198-W206 HydrophobicContact CD1-CZ3 4.17Å; F198-W206 HydrophobicContact CE1-CE3 4.41Å; F198-W206 HydrophobicContact CE1-CZ3 4.38Å; F198-W206 PolarHBondContact N-O 2.79Å; F198-W206 PolarHBondContact O-N 2.92Å; F198-L278 HydrophobicContact CD2-CD2 4.3Å; F198-L278 WeakPolarHBondContact CD2-O 3.36Å; F198-P280 HydrophobicContact CE2-CG 4.33Å; F198-P297 HydrophobicContact CZ-CB 3.98Å; F198-P297 HydrophobicContact CZ-CG 3.93Å; F198-T299 VanDerWaalsContact CE1-C 3.46Å; F198-T299 WeakPolarHBondContact CE1-O 3.41Å; F198-P300 HydrophobicContact CB-CB 4.06Å; F198-P300 HydrophobicContact CD1-CB 3.64Å; F198-P300 HydrophobicContact CD1-CG 4.39Å; F198-P300 HydrophobicContact CD2-CB 4.25Å; F198-P300 VanDerWaalsContact CE1-CA 3.46Å; F198-P300 HydrophobicContact CE1-CB 4.13Å; F198-P300 HydrophobicContact CG-CB 3.71Å; F198-W310 HydrophobicContact CB-CH2 3.87Å; F198-W310 HydrophobicContact CB-CZ3 3.85Å
199V95.5Very high95.4Very high49 Ų4925.3 Ų25.330%0.29712%0.122SC..EExtended strand (participates in β ladder)trans-111.2112.6175.6-1780000108.6R204 L323V199-R204 WeakPolarHBondContact CA-O 3.12Å; V199-L323 HydrophobicContact CG1-CD2 3.57Å; V199-L323 HydrophobicContact CG2-CD2 4.19Å
200G91.5Very high95.5Very high6 Ų624.1 Ų24.16%0.06212%0.117CC..  trans-97.6-171.3-18000000113K203 R204 P297G200-K203 PolarHBondContact O-N 2.95Å; G200-R204 PolarHBondContact N-O 2.89Å; G200-P297 CarbonylContact C-O 3.59Å; G200-P297 WeakPolarHBondContact CA-O 3.32Å
201A87.7Confident95.3Very high29 Ų2925.6 Ų25.624%0.2412%0.123CC..G310 helixtrans-54.3156.2173.900000111.8K203 R204 P297 A298A201-K203 PolarHBondContact O-N 3Å; A201-K203 VanDerWaalsContact O-N 3.07Å; A201-R204 PolarHBondContact O-N 3.21Å; A201-P297 PolarHBondContact N-O 2.95Å; A201-A298 HydrophobicContact CB-CB 4.44Å
202E89.8Confident94.4Very high176 Ų17627.6 Ų27.682%0.82214%0.14SC*.G310 helixtrans56.924.6-178.8-56.3176.3-166.800113.7R204E202-R204 PolarHBondContact O-N 3.18Å
203K92Very high93.7Very high132 Ų13233.9 Ų33.957%0.57418%0.181SC*.G310 helixtrans5629.3-178.8-52.7-177.5178-1770113G200 A201 K319 L323G200-K203 PolarHBondContact O-N 2.95Å; A201-K203 PolarHBondContact O-N 3Å; A201-K203 VanDerWaalsContact O-N 3.07Å; K203-K319 WeakPolarHBondContact O-CE 3.33Å; K203-K319 PolarHBondContact O-NZ 2.72Å; K203-L323 HydrophobicContact CB-CD1 3.74Å; K203-L323 HydrophobicContact CB-CD2 3.96Å; K203-L323 HydrophobicContact CD-CD1 4.37Å
204R95.1Very high93.4Very high76 Ų7637 Ų3729%0.28720%0.201SC..  trans-70.8142.5171.9-66.817571.4-171.54.4109.2V199 G200 A201 E202 W206 E312V199-R204 WeakPolarHBondContact CA-O 3.12Å; G200-R204 PolarHBondContact N-O 2.89Å; A201-R204 PolarHBondContact O-N 3.21Å; E202-R204 PolarHBondContact O-N 3.18Å; R204-W206 HydrophobicContact CB-CE3 4.18Å; R204-W206 HydrophobicContact CB-CH2 3.09Å; R204-W206 HydrophobicContact CB-CZ2 3.85Å; R204-W206 HydrophobicContact CB-CZ3 3.27Å; R204-W206 HydrophobicContact CG-CH2 4.08Å; R204-W206 WeakPolarHBondContact O-CZ3 3.48Å; R204-E312 IonicContact CZ-OE1 3.55Å; R204-E312 IonicContact CZ-OE2 3.31Å; R204-E312 IonicContact NE-OE1 3.74Å; R204-E312 PolarHBondContact NE-OE1 2.83Å; R204-E312 IonicContact NE-OE2 3.82Å; R204-E312 IonicContact NH2-OE1 2.67Å; R204-E312 PolarHBondContact NH2-OE1 2.9Å; R204-E312 VanDerWaalsContact NH2-OE1 3.13Å; R204-E312 IonicContact NH2-OE2 2.81Å; R204-E312 PolarHBondContact NH2-OE2 2.98Å
205V97.3Very high93.3Very high0 Ų037.8 Ų37.80%021%0.207CC..EExtended strand (participates in β ladder)trans-123.3130.4-173.4-178.50000109L197 V313 K319 L322 L323L197-V205 HydrophobicContact CD2-CG1 4.29Å; V205-V313 HydrophobicContact CB-CB 4.41Å; V205-V313 HydrophobicContact CB-CG2 4.36Å; V205-V313 HydrophobicContact CG1-CG2 4.07Å; V205-V313 PolarHBondContact O-N 3.2Å; V205-K319 HydrophobicContact CB-CG 4.4Å; V205-K319 HydrophobicContact CG2-CG 3.91Å; V205-L322 HydrophobicContact CG1-CB 4.17Å; V205-L322 HydrophobicContact CG1-CD1 4.08Å; V205-L323 HydrophobicContact CG2-CD1 4.25Å; V205-L323 HydrophobicContact CG2-CD2 3.57Å; V205-L323 HydrophobicContact CG2-CG 3.56Å
206W98.1Very high93.2Very high14 Ų1438.7 Ų38.75%0.05321%0.211CC..EExtended strand (participates in β ladder)trans-121.7149.4175.1-64.8-101000110.9L197 F198 R204 A298 T299 P300 W310 M311 E312L197-W206 CarbonylContact C-O 3.56Å; L197-W206 WeakPolarHBondContact CA-O 3.39Å; F198-W206 HydrophobicContact CB-CB 4.41Å; F198-W206 AromaticContact CD1-CE3 3.77Å; F198-W206 HydrophobicContact CD1-CE3 3.77Å; F198-W206 HydrophobicContact CD1-CZ3 4.17Å; F198-W206 HydrophobicContact CE1-CE3 4.41Å; F198-W206 HydrophobicContact CE1-CZ3 4.38Å; F198-W206 PolarHBondContact N-O 2.79Å; F198-W206 PolarHBondContact O-N 2.92Å; R204-W206 HydrophobicContact CB-CE3 4.18Å; R204-W206 HydrophobicContact CB-CH2 3.09Å; R204-W206 HydrophobicContact CB-CZ2 3.85Å; R204-W206 HydrophobicContact CB-CZ3 3.27Å; R204-W206 HydrophobicContact CG-CH2 4.08Å; R204-W206 WeakPolarHBondContact O-CZ3 3.48Å; W206-A298 WeakPolarHBondContact CH2-O 3.49Å; W206-T299 HydrophobicContact CZ2-CG2 4.33Å; W206-P300 HydrophobicContact CB-CG 4.18Å; W206-P300 HydrophobicContact CD2-CG 4.14Å; W206-P300 HydrophobicContact CG-CG 3.82Å; W206-W310 HydrophobicContact CB-CD2 4.45Å; W206-W310 HydrophobicContact CB-CE3 3.75Å; W206-W310 HydrophobicContact CB-CZ3 4.35Å; W206-M311 CarbonylContact C-O 3.52Å; W206-M311 VanDerWaalsContact CA-O 3.27Å; W206-M311 WeakPolarHBondContact CA-O 3.12Å; W206-E312 HydrophobicContact CG-CB 4.47Å
207I98.3Very high93.1Very high0 Ų038.7 Ų38.70%021%0.211CC..EExtended strand (participates in β ladder)trans-119.9131.2176.1-60.4169.4000108.4V15 L195 L196 L197 L209 L217 W310 M311 V313 L322V15-I207 HydrophobicContact CG2-CD1 4.06Å; L195-I207 HydrophobicContact CD1-CB 4.26Å; L195-I207 HydrophobicContact CD1-CD1 3.78Å; L195-I207 HydrophobicContact CD1-CG1 3.8Å; L195-I207 HydrophobicContact CD1-CG2 3.49Å; L195-I207 VanDerWaalsContact CD1-CG2 3.49Å; L196-I207 WeakPolarHBondContact O-CA 3.35Å; L197-I207 HydrophobicContact CD2-CG1 3.81Å; I207-L209 HydrophobicContact CG2-CD2 3.73Å; I207-L209 HydrophobicContact CG2-CG 4.37Å; I207-L217 HydrophobicContact CG2-CD2 3.78Å; I207-W310 VanDerWaalsContact C-CE3 3.44Å; I207-M311 HydrophobicContact CD1-CE 4.14Å; I207-M311 PolarHBondContact N-O 2.82Å; I207-M311 PolarHBondContact O-N 3.43Å; I207-V313 HydrophobicContact CD1-CG2 3.51Å; I207-V313 HydrophobicContact CG1-CG2 3.83Å; I207-L322 HydrophobicContact CD1-CD1 4.14Å
208L98.2Very high93Very high0 Ų038.8 Ų38.80%021%0.211CC..EExtended strand (participates in β ladder)trans-78.2128.4172-17170.7000109.6L196 P218 A235 A239 V303 Y308 W310L196-L208 HydrophobicContact CB-CB 4.19Å; L196-L208 HydrophobicContact CD2-CB 4.25Å; L196-L208 HydrophobicContact CD2-CD2 3.77Å; L196-L208 HydrophobicContact CG-CB 4.46Å; L196-L208 PolarHBondContact O-N 2.97Å; L208-P218 VanDerWaalsContact O-CD 3.3Å; L208-P218 WeakPolarHBondContact O-CD 3.39Å; L208-A235 HydrophobicContact CD2-CB 4.5Å; L208-A239 HydrophobicContact CD1-CB 4.18Å; L208-A239 HydrophobicContact CD2-CB 3.86Å; L208-V303 HydrophobicContact CD1-CG1 3.8Å; L208-Y308 HydrophobicContact CD1-CD1 4.29Å; L208-Y308 HydrophobicContact CD2-CD1 3.98Å; L208-Y308 HydrophobicContact CD2-CE1 4.37Å; L208-Y308 HydrophobicContact CG-CD1 4.01Å; L208-W310 HydrophobicContact CB-CD2 4.49Å; L208-W310 HydrophobicContact CB-CE3 3.95Å; L208-W310 HydrophobicContact CB-CH2 3.85Å; L208-W310 HydrophobicContact CB-CZ2 4.38Å; L208-W310 HydrophobicContact CB-CZ3 3.62Å; L208-W310 HydrophobicContact CD1-CD2 3.99Å; L208-W310 HydrophobicContact CD1-CE3 4.3Å; L208-W310 HydrophobicContact CD1-CH2 4.35Å; L208-W310 HydrophobicContact CD1-CZ2 4.03Å; L208-W310 HydrophobicContact CD1-CZ3 4.49Å; L208-W310 VanDerWaalsContact N-CZ3 3.3Å
209L97.9Very high93Very high0 Ų038.9 Ų38.90%021%0.212CC..EExtended strand (participates in β ladder)trans-124153.3179.6-57.2178.6000111.6V3 V11 I207 P215 H216 L217 Y308 V309 M311V3-L209 HydrophobicContact CG2-CD1 4.42Å; V11-L209 HydrophobicContact CG1-CD1 4.08Å; V11-L209 HydrophobicContact CG1-CD2 3.78Å; V11-L209 HydrophobicContact CG2-CD1 4.03Å; I207-L209 HydrophobicContact CG2-CD2 3.73Å; I207-L209 HydrophobicContact CG2-CG 4.37Å; L209-P215 HydrophobicContact CD1-CB 3.96Å; L209-H216 WeakPolarHBondContact CA-O 3.46Å; L209-L217 HydrophobicContact CD2-CD2 3.81Å; L209-Y308 CarbonylContact O-C 3.58Å; L209-Y308 VanDerWaalsContact O-CA 3.26Å; L209-Y308 WeakPolarHBondContact O-CA 3.48Å; L209-V309 HydrophobicContact CB-CG1 4Å; L209-V309 PolarHBondContact N-O 3.38Å; L209-V309 PolarHBondContact O-N 2.91Å; L209-M311 HydrophobicContact CD1-CB 3.62Å; L209-M311 HydrophobicContact CD1-CE 4.44Å; L209-M311 HydrophobicContact CD1-CG 4.26Å; L209-M311 HydrophobicContact CD1-SD 3.77Å; L209-M311 HydrophobicContact CG-CB 4.26Å
210V96.4Very high92.9Very high0 Ų036.6 Ų36.60%020%0.198CC..EExtended strand (participates in β ladder)trans-90.7137.6164.9174.30000109.7D30 P215 H216 P218 R307 Y308D30-V210 HydrophobicContact CB-CG2 4.33Å; V210-P215 WeakPolarHBondContact O-CA 3.49Å; V210-H216 PolarHBondContact N-O 3.4Å; V210-H216 PolarHBondContact O-N 2.81Å; V210-H216 VanDerWaalsContact O-N 3.16Å; V210-P218 HydrophobicContact CG2-CB 4.05Å; V210-P218 HydrophobicContact CG2-CG 4.05Å; V210-R307 CarbonylContact C-O 3.52Å; V210-R307 WeakPolarHBondContact CA-O 3.35Å; V210-R307 HydrophobicContact CG1-CG 3.86Å; V210-Y308 HydrophobicContact CG2-CD1 4.03Å; V210-Y308 HydrophobicContact CG2-CE1 3.51Å
211Q90.8Very high93.1Very high37 Ų3736.4 Ų36.417%0.17320%0.196CC..EExtended strand (participates in β ladder)trans-97.781.5176.9-55.3-158.7-47.700110.7M1 P306 R307 V309M1-Q211 PolarHBondContact O-NE2 2.88Å; Q211-P306 PolarHBondContact OE1-O 3.02Å; Q211-R307 WeakPolarHBondContact CB-O 3.13Å; Q211-R307 PolarHBondContact N-O 2.76Å; Q211-V309 HydrophobicContact CG-CB 4.06Å; Q211-V309 HydrophobicContact CG-CG1 3.72Å
212A75.9Confident93.2Very high44 Ų4435.4 Ų35.436%0.36419%0.188SC..SBendtrans-171135.3166.300000114.5H216A212-H216 PolarHBondContact O-CE1 2.86Å; A212-H216 PolarHBondContact O-ND1 2.96Å
213P80.2Confident93Very high133 Ų13327.6 Ų27.686%0.86415%0.152SC*.SBendcis-64.9-12-42.831.5-33.8000112.5
214T89.4Confident92Very high77 Ų7728.8 Ų28.847%0.47215%0.153SC..SBendtrans-123.6146.5172.350.60000109.4H216T214-H216 PolarHBondContact O-N 2.86Å; T214-H216 PolarHBondContact O-ND1 2.93Å
215P94.1Very high90.5Very high18 Ų1830.5 Ų30.512%0.11717%0.172CC..EExtended strand (participates in β ladder)trans-55.7132.2175-26.836.6000112.3V3 E7 V11 L209 V210V3-P215 HydrophobicContact CG1-CG 4.3Å; V3-P215 HydrophobicContact CG2-CG 4.42Å; E7-P215 HydrophobicContact CB-CG 4Å; E7-P215 HydrophobicContact CG-CG 4.12Å; E7-P215 WeakPolarHBondContact OE1-CD 3.18Å; V11-P215 HydrophobicContact CG2-CB 4.23Å; L209-P215 HydrophobicContact CD1-CB 3.96Å; V210-P215 WeakPolarHBondContact O-CA 3.49Å
216H95.3Very high89.1Confident19 Ų1933.4 Ų33.49%0.08819%0.185CC..EExtended strand (participates in β ladder)trans-152.4165.8179.159.3-82.5000111.2L28 D30 L209 V210 A212 T214L28-H216 VanDerWaalsContact CD1-NE2 3.26Å; L28-H216 WeakPolarHBondContact CD1-NE2 3.4Å; D30-H216 IonicContact OD1-NE2 3.09Å; D30-H216 PolarHBondContact OD1-NE2 2.66Å; D30-H216 IonicContact OD2-CD2 3.23Å; D30-H216 IonicContact OD2-NE2 3.47Å; D30-H216 PolarHBondContact OD2-NE2 2.66Å; L209-H216 WeakPolarHBondContact CA-O 3.46Å; V210-H216 PolarHBondContact N-O 3.4Å; V210-H216 PolarHBondContact O-N 2.81Å; V210-H216 VanDerWaalsContact O-N 3.16Å; A212-H216 PolarHBondContact O-CE1 2.86Å; A212-H216 PolarHBondContact O-ND1 2.96Å; T214-H216 PolarHBondContact O-N 2.86Å; T214-H216 PolarHBondContact O-ND1 2.93Å
217L96.6Very high87.7Confident1 Ų133.7 Ų33.71%0.00519%0.19CC..  trans-68.6133.7176.6-61177.5000111.1V15 L18 R193 L195 I207 L209 T219V15-L217 HydrophobicContact CG2-CD1 4.43Å; V15-L217 HydrophobicContact CG2-CD2 4.35Å; L18-L217 HydrophobicContact CD1-CD1 3.37Å; R193-L217 HydrophobicContact CG-CB 3.89Å; R193-L217 HydrophobicContact CG-CD1 4.32Å; L195-L217 HydrophobicContact CB-CD1 4.49Å; L195-L217 HydrophobicContact CD1-CD2 3.8Å; I207-L217 HydrophobicContact CG2-CD2 3.78Å; L209-L217 HydrophobicContact CD2-CD2 3.81Å; L217-T219 PolarHBondContact O-N 2.97Å
218P96.4Very high86.5Confident2 Ų233.7 Ų33.71%0.01319%0.19CC..  trans-53.8129177.1-21.427.9000111.8T194 L208 V210 A235 Y308T194-P218 PolarHBondContact N-O 3.4Å; L208-P218 VanDerWaalsContact O-CD 3.3Å; L208-P218 WeakPolarHBondContact O-CD 3.39Å; V210-P218 HydrophobicContact CG2-CB 4.05Å; V210-P218 HydrophobicContact CG2-CG 4.05Å; P218-A235 HydrophobicContact CB-CB 3.97Å; P218-A235 HydrophobicContact CG-CB 4.29Å; P218-Y308 HydrophobicContact CG-CE1 4.26Å
219T95.7Very high85.6Confident4 Ų435 Ų353%0.02520%0.198CC..EExtended strand (participates in β ladder)trans-113.6119.4173.2-58.40000110.2V26 C29 D30 L31 V191 Q192 L217V26-T219 HydrophobicContact CG1-CG2 4.21Å; C29-T219 CarbonylContact C-O 3.52Å; D30-T219 WeakPolarHBondContact CA-O 3.49Å; D30-T219 WeakPolarHBondContact CB-O 3.37Å; D30-T219 PolarHBondContact N-O 3.12Å; D30-T219 PolarHBondContact OD2-N 2.94Å; L31-T219 PolarHBondContact N-O 3.04Å; V191-T219 HydrophobicContact CB-CG2 4.1Å; V191-T219 HydrophobicContact CG2-CG2 4.18Å; Q192-T219 CarbonylContact O-C 3.49Å; Q192-T219 VanDerWaalsContact O-CA 3.28Å; Q192-T219 WeakPolarHBondContact O-CA 3.21Å; L217-T219 PolarHBondContact O-N 2.97Å
220A95.1Very high85.1Confident1 Ų138.7 Ų38.71%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-116.2142.4179.400000112L31 V191 Q192 A231L31-A220 HydrophobicContact CB-CB 3.63Å; L31-A220 HydrophobicContact CD1-CB 3.95Å; L31-A220 HydrophobicContact CG-CB 4.45Å; V191-A220 CarbonylContact C-O 3.59Å; V191-A220 WeakPolarHBondContact CA-O 3.37Å; V191-A220 WeakPolarHBondContact CB-O 3.45Å; Q192-A220 PolarHBondContact N-O 2.81Å; Q192-A220 PolarHBondContact O-N 3.03Å; A220-A231 HydrophobicContact CB-CB 3.57Å
221A94.1Very high84.8Confident2 Ų239 Ų392%0.01721%0.214CC..EExtended strand (participates in β ladder)trans-76.7138.8170.800000110.7C29 L31 V191 L223C29-A221 PolarHBondContact SG-N 3.07Å; L31-A221 PolarHBondContact O-N 3.27Å; V191-A221 HydrophobicContact CG1-CB 4.44Å; A221-L223 PolarHBondContact O-N 3.11Å
222A89.9Confident84.9Confident8 Ų837.2 Ų37.27%0.06621%0.206CC..  trans-70.2129.6170.400000109.7P116 I190 V228P116-A222 HydrophobicContact CB-CB 3.87Å; P116-A222 HydrophobicContact CG-CB 4.48Å; I190-A222 HydrophobicContact CB-CB 4.2Å; I190-A222 HydrophobicContact CG2-CB 3.7Å; I190-A222 PolarHBondContact O-N 3.07Å; A222-V228 HydrophobicContact CB-CG2 4.16Å
223L85.5Confident85.8Confident12 Ų1235.6 Ų35.66%0.06319%0.191CC..  trans-110.7153-175.2-59.1-175.9000110.5G32 L35 P116 A221 T225 H226 M234G32-L223 WeakPolarHBondContact O-CD2 2.98Å; L35-L223 HydrophobicContact CB-CD1 4.45Å; L35-L223 HydrophobicContact CB-CD2 3.76Å; L35-L223 HydrophobicContact CD1-CD1 4.18Å; P116-L223 WeakPolarHBondContact CD-O 3.45Å; A221-L223 PolarHBondContact O-N 3.11Å; L223-T225 PolarHBondContact O-N 3.33Å; L223-H226 PolarHBondContact O-N 3.36Å; L223-H226 VanDerWaalsContact O-N 3.1Å; L223-M234 HydrophobicContact CD1-CE 3.72Å; L223-M234 HydrophobicContact CD1-SD 4.26Å; L223-M234 HydrophobicContact CG-CE 4.46Å
224R72.4Confident86.4Confident157 Ų15730.6 Ų30.659%0.59216%0.157SC*.THydrogen-bonded Turntrans-61.6-29.9179.8-71.7-175.2177.5-171.4-6113.6P116 H226P116-R224 HydrophobicContact CG-CG 4.46Å; R224-H226 PolarHBondContact O-N 3.49Å
225T63Low86.7Confident112 Ų11227 Ų2769%0.68714%0.135SC*.THydrogen-bonded Turntrans-77.9-10-179.648.70000113L223L223-T225 PolarHBondContact O-N 3.33Å
226H67.8Low86.8Confident61 Ų6126.1 Ų26.128%0.28213%0.129SC..SBendtrans-133.4142.1-171.5-63.3-64.6000111.2L223 R224 W230 Y338L223-H226 PolarHBondContact O-N 3.36Å; L223-H226 VanDerWaalsContact O-N 3.1Å; R224-H226 PolarHBondContact O-N 3.49Å; H226-W230 HydrophobicContact CB-CB 3.63Å; H226-W230 HydrophobicContact CB-CG 3.84Å; H226-W230 AromaticContact CD2-CD1 3.97Å; H226-W230 AromaticContact CE1-CD1 3.62Å; H226-W230 AromaticContact CE1-NE1 3.55Å; H226-W230 AromaticContact CG-CD1 3.29Å; H226-W230 AromaticContact CG-CG 3.89Å; H226-W230 AromaticContact CG-NE1 4Å; H226-W230 AromaticContact ND1-CD1 3.03Å; H226-W230 AromaticContact ND1-CG 3.71Å; H226-W230 AromaticContact ND1-NE1 3.27Å; H226-W230 PolarHBondContact ND1-NE1 3.06Å; H226-Y338 VanDerWaalsContact C-OH 3.31Å; H226-Y338 PolarHBondContact O-OH 3.28Å; H226-Y338 VanDerWaalsContact O-OH 3.1Å
227A68.7Low86.9Confident19 Ų1929.2 Ų29.216%0.15714%0.144CC..  trans-51.9151.816600000110.3E113 T229 W230 S336 Y338E113-A227 WeakPolarHBondContact OE1-CB 3.36Å; A227-T229 PolarHBondContact O-N 3.49Å; A227-T229 VanDerWaalsContact O-N 3.15Å; A227-W230 VanDerWaalsContact O-CB 3.3Å; A227-W230 WeakPolarHBondContact O-CB 3.29Å; A227-W230 PolarHBondContact O-N 3.2Å; A227-S336 WeakPolarHBondContact CB-OG 3.15Å; A227-Y338 VanDerWaalsContact CA-CE2 3.5Å; A227-Y338 VanDerWaalsContact CA-OH 3.27Å; A227-Y338 WeakPolarHBondContact CA-OH 3.2Å; A227-Y338 HydrophobicContact CB-CD2 4.21Å; A227-Y338 HydrophobicContact CB-CE2 3.56Å; A227-Y338 PolarHBondContact N-OH 2.85Å
228V72.1Confident86.8Confident1 Ų132.3 Ų32.31%0.00616%0.158CC..G310 helixtrans-51.9-41.2173.8167.30000109.2E113 Q192 A222 W230 F272 I334E113-V228 HydrophobicContact CB-CB 4.47Å; E113-V228 HydrophobicContact CB-CG2 4.08Å; E113-V228 HydrophobicContact CG-CB 3.85Å; E113-V228 HydrophobicContact CG-CG2 3.98Å; E113-V228 PolarHBondContact OE1-N 2.91Å; E113-V228 PolarHBondContact OE2-N 2.98Å; Q192-V228 VanDerWaalsContact CD-C 3.48Å; Q192-V228 HydrophobicContact CG-CG1 4.09Å; Q192-V228 WeakPolarHBondContact CG-O 3.37Å; Q192-V228 VanDerWaalsContact NE2-C 3.27Å; Q192-V228 PolarHBondContact NE2-O 3.16Å; Q192-V228 PolarHBondContact OE1-O 3.41Å; A222-V228 HydrophobicContact CB-CG2 4.16Å; V228-W230 PolarHBondContact O-N 3.13Å; V228-F272 HydrophobicContact CG1-CD2 3.64Å; V228-F272 HydrophobicContact CG1-CE2 3.63Å; V228-F272 HydrophobicContact CG1-CG 4.37Å; V228-F272 HydrophobicContact CG1-CZ 4.35Å; V228-I334 HydrophobicContact CB-CD1 4.44Å; V228-I334 HydrophobicContact CG1-CD1 3.93Å
229T79.7Confident86.9Confident27 Ų2732.2 Ų32.217%0.16616%0.158CC..G310 helixtrans-65.31.8179.158.30000116.9A227 T251 I334A227-T229 PolarHBondContact O-N 3.49Å; A227-T229 VanDerWaalsContact O-N 3.15Å; T229-T251 HydrophobicContact CG2-CG2 4.38Å; T229-T251 PolarHBondContact O-OG1 2.79Å; T229-I334 HydrophobicContact CG2-CB 4.49Å; T229-I334 HydrophobicContact CG2-CD1 4.07Å; T229-I334 HydrophobicContact CG2-CG1 4.11Å; T229-I334 HydrophobicContact CG2-CG2 3.62Å
230W87.9Confident86.9Confident78 Ų7832 Ų3230%0.29516%0.157SC..G310 helixtrans-84.2-6.9-175.1-154.6-118.6000114.5H226 A227 V228 A232 N233 M234 Y244H226-W230 HydrophobicContact CB-CB 3.63Å; H226-W230 HydrophobicContact CB-CG 3.84Å; H226-W230 AromaticContact CD2-CD1 3.97Å; H226-W230 AromaticContact CE1-CD1 3.62Å; H226-W230 AromaticContact CE1-NE1 3.55Å; H226-W230 AromaticContact CG-CD1 3.29Å; H226-W230 AromaticContact CG-CG 3.89Å; H226-W230 AromaticContact CG-NE1 4Å; H226-W230 AromaticContact ND1-CD1 3.03Å; H226-W230 AromaticContact ND1-CG 3.71Å; H226-W230 AromaticContact ND1-NE1 3.27Å; H226-W230 PolarHBondContact ND1-NE1 3.06Å; A227-W230 VanDerWaalsContact O-CB 3.3Å; A227-W230 WeakPolarHBondContact O-CB 3.29Å; A227-W230 PolarHBondContact O-N 3.2Å; V228-W230 PolarHBondContact O-N 3.13Å; W230-A232 PolarHBondContact O-N 2.83Å; W230-N233 HydrophobicContact CD2-CB 3.46Å; W230-N233 VanDerWaalsContact CD2-CB 3.46Å; W230-N233 HydrophobicContact CE3-CB 3.66Å; W230-N233 VanDerWaalsContact CE3-CG 3.45Å; W230-N233 VanDerWaalsContact CE3-ND2 3.31Å; W230-N233 HydrophobicContact CG-CB 4.07Å; W230-N233 HydrophobicContact CH2-CB 3.69Å; W230-N233 WeakPolarHBondContact CH2-OD1 3.28Å; W230-N233 HydrophobicContact CZ2-CB 3.5Å; W230-N233 HydrophobicContact CZ3-CB 3.77Å; W230-N233 WeakPolarHBondContact CZ3-ND2 3.47Å; W230-N233 WeakPolarHBondContact CZ3-OD1 3.23Å; W230-N233 WeakPolarHBondContact O-CA 3.22Å; W230-N233 WeakPolarHBondContact O-CB 3.4Å; W230-N233 PolarHBondContact O-N 3.13Å; W230-M234 PolarHBondContact O-N 3.34Å; W230-Y244 WeakPolarHBondContact CZ2-OH 3.3Å
231A89.3Confident86.9Confident5 Ų535 Ų354%0.04118%0.176CC..Hα-helixtrans-55.6-39.8-177.700000113.3Q192 A220 N233 M234 A235Q192-A231 HydrophobicContact CB-CB 3.57Å; Q192-A231 HydrophobicContact CG-CB 4.01Å; A220-A231 HydrophobicContact CB-CB 3.57Å; A231-N233 VanDerWaalsContact C-N 3.31Å; A231-N233 PolarHBondContact O-N 3.42Å; A231-M234 PolarHBondContact O-N 2.9Å; A231-A235 WeakPolarHBondContact O-CB 3.37Å; A231-A235 PolarHBondContact O-N 2.95Å
232A93.3Very high86.9Confident0 Ų038.7 Ų38.70%021%0.206CC..Hα-helixtrans-61.2-41.4176.700000112T194 L196 W230 A235 A236 V249 A276T194-A232 HydrophobicContact CG2-CB 3.76Å; L196-A232 HydrophobicContact CD1-CB 4.46Å; W230-A232 PolarHBondContact O-N 2.83Å; A232-A235 PolarHBondContact O-N 2.93Å; A232-A236 WeakPolarHBondContact O-CB 3.32Å; A232-A236 PolarHBondContact O-N 3.13Å; A232-V249 HydrophobicContact CB-CG1 3.51Å; A232-A276 HydrophobicContact CB-CB 3.54Å
233N94.4Very high86.9Confident10 Ų1039.2 Ų39.25%0.05321%0.209CC..Hα-helixtrans-68.6-41.9177.9-78.5-92.5000111W230 A231 A235 A236 Q237 Y244 V249W230-N233 HydrophobicContact CD2-CB 3.46Å; W230-N233 VanDerWaalsContact CD2-CB 3.46Å; W230-N233 HydrophobicContact CE3-CB 3.66Å; W230-N233 VanDerWaalsContact CE3-CG 3.45Å; W230-N233 VanDerWaalsContact CE3-ND2 3.31Å; W230-N233 HydrophobicContact CG-CB 4.07Å; W230-N233 HydrophobicContact CH2-CB 3.69Å; W230-N233 WeakPolarHBondContact CH2-OD1 3.28Å; W230-N233 HydrophobicContact CZ2-CB 3.5Å; W230-N233 HydrophobicContact CZ3-CB 3.77Å; W230-N233 WeakPolarHBondContact CZ3-ND2 3.47Å; W230-N233 WeakPolarHBondContact CZ3-OD1 3.23Å; W230-N233 WeakPolarHBondContact O-CA 3.22Å; W230-N233 WeakPolarHBondContact O-CB 3.4Å; W230-N233 PolarHBondContact O-N 3.13Å; A231-N233 VanDerWaalsContact C-N 3.31Å; A231-N233 PolarHBondContact O-N 3.42Å; N233-A235 PolarHBondContact O-N 3.3Å; N233-A236 PolarHBondContact O-N 2.96Å; N233-Q237 WeakPolarHBondContact O-CB 3.27Å; N233-Q237 PolarHBondContact O-N 2.62Å; N233-Y244 HydrophobicContact CB-CE2 4.44Å; N233-Y244 PolarHBondContact OD1-OH 2.89Å; N233-V249 PolarHBondContact ND2-O 2.84Å; N233-V249 WeakPolarHBondContact OD1-CB 3.27Å
234M94.1Very high87.3Confident29 Ų2939.7 Ų39.714%0.14321%0.21CC..Hα-helixtrans-59.4-45.8174.5-66.7177.566.300111.8L31 L223 W230 A231 E238L31-M234 HydrophobicContact CB-CE 4.25Å; L31-M234 HydrophobicContact CD1-CB 4.35Å; L223-M234 HydrophobicContact CD1-CE 3.72Å; L223-M234 HydrophobicContact CD1-SD 4.26Å; L223-M234 HydrophobicContact CG-CE 4.46Å; W230-M234 PolarHBondContact O-N 3.34Å; A231-M234 PolarHBondContact O-N 2.9Å; M234-E238 WeakPolarHBondContact O-CB 3.04Å; M234-E238 PolarHBondContact O-N 2.87Å
235A95.6Very high88.2Confident1 Ų140.4 Ų40.41%0.00821%0.214CC..Hα-helixtrans-65.5-44.7178.100000111.9L31 L208 P218 A231 A232 N233 E238 A239L31-A235 HydrophobicContact CD1-CB 3.77Å; L208-A235 HydrophobicContact CD2-CB 4.5Å; P218-A235 HydrophobicContact CB-CB 3.97Å; P218-A235 HydrophobicContact CG-CB 4.29Å; A231-A235 WeakPolarHBondContact O-CB 3.37Å; A231-A235 PolarHBondContact O-N 2.95Å; A232-A235 PolarHBondContact O-N 2.93Å; N233-A235 PolarHBondContact O-N 3.3Å; A235-E238 PolarHBondContact O-N 2.97Å; A235-A239 WeakPolarHBondContact O-CB 3.49Å; A235-A239 PolarHBondContact O-N 3.12Å
236A96.5Very high89.5Confident0 Ų039.7 Ų39.70%021%0.206CC..Hα-helixtrans-61.5-48.1176.200000111.4L196 A232 N233 E238 A239 L240 Y244 V249 L278L196-A236 HydrophobicContact CD2-CB 4.09Å; A232-A236 WeakPolarHBondContact O-CB 3.32Å; A232-A236 PolarHBondContact O-N 3.13Å; N233-A236 PolarHBondContact O-N 2.96Å; A236-E238 PolarHBondContact O-N 2.86Å; A236-A239 PolarHBondContact O-N 2.79Å; A236-L240 WeakPolarHBondContact O-CD2 3.42Å; A236-L240 VanDerWaalsContact O-CG 3.28Å; A236-L240 WeakPolarHBondContact O-CG 3.47Å; A236-L240 PolarHBondContact O-N 2.97Å; A236-Y244 HydrophobicContact CB-CD2 4.03Å; A236-Y244 HydrophobicContact CB-CE2 4.17Å; A236-V249 HydrophobicContact CB-CG2 3.82Å; A236-L278 HydrophobicContact CB-CD1 4.44Å
237Q95.7Very high90.6Very high83 Ų8338.4 Ų38.439%0.38820%0.2SC..Hα-helixtrans-63.4-38.6-179.8-1711799.200112.5N233 P241 Y244N233-Q237 WeakPolarHBondContact O-CB 3.27Å; N233-Q237 PolarHBondContact O-N 2.62Å; Q237-P241 WeakPolarHBondContact O-CA 2.8Å; Q237-P241 WeakPolarHBondContact O-CB 3.5Å; Q237-Y244 HydrophobicContact CB-CD1 4.5Å; Q237-Y244 HydrophobicContact CB-CD2 3.83Å; Q237-Y244 HydrophobicContact CB-CE2 3.92Å; Q237-Y244 HydrophobicContact CB-CG 4.12Å; Q237-Y244 HydrophobicContact CG-CD1 4.31Å; Q237-Y244 HydrophobicContact CG-CD2 4.46Å; Q237-Y244 HydrophobicContact CG-CG 4.26Å
238E96.3Very high91.7Very high67 Ų6741.6 Ų41.631%0.31322%0.215SC..Hα-helixtrans-71.1-33.3175.6-159.6-168.5-161.200112L31 M234 A235 A236 N305 R307 Y308L31-E238 HydrophobicContact CD2-CB 4.13Å; L31-E238 HydrophobicContact CD2-CG 4.37Å; L31-E238 WeakPolarHBondContact CD2-OE2 3.35Å; M234-E238 WeakPolarHBondContact O-CB 3.04Å; M234-E238 PolarHBondContact O-N 2.87Å; A235-E238 PolarHBondContact O-N 2.97Å; A236-E238 PolarHBondContact O-N 2.86Å; E238-N305 WeakPolarHBondContact O-CB 3.5Å; E238-N305 PolarHBondContact O-ND2 3.46Å; E238-R307 IonicContact OE1-NH1 2.77Å; E238-R307 IonicContact OE2-NH1 2.73Å; E238-Y308 HydrophobicContact CB-CE2 4.08Å; E238-Y308 HydrophobicContact CG-CE2 4.05Å; E238-Y308 WeakPolarHBondContact OE2-CE2 3.37Å; E238-Y308 VanDerWaalsContact OE2-CZ 3.24Å; E238-Y308 PolarHBondContact OE2-OH 3.47Å
239A97.1Very high92.8Very high0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-79.2-40.1-177.100000113.9L208 A235 A236 V303 E304 N305 Y308L208-A239 HydrophobicContact CD1-CB 4.18Å; L208-A239 HydrophobicContact CD2-CB 3.86Å; A235-A239 WeakPolarHBondContact O-CB 3.49Å; A235-A239 PolarHBondContact O-N 3.12Å; A236-A239 PolarHBondContact O-N 2.79Å; A239-V303 HydrophobicContact CB-CG1 4.34Å; A239-V303 CarbonylContact O-C 3.59Å; A239-V303 WeakPolarHBondContact O-CA 3.33Å; A239-E304 PolarHBondContact O-N 2.88Å; A239-N305 PolarHBondContact O-N 2.96Å; A239-Y308 HydrophobicContact CB-CD1 3.92Å; A239-Y308 HydrophobicContact CB-CD2 3.78Å; A239-Y308 HydrophobicContact CB-CE1 4.43Å; A239-Y308 HydrophobicContact CB-CE2 4.32Å; A239-Y308 HydrophobicContact CB-CG 3.55Å
240L96Very high93.4Very high0 Ų042.3 Ų42.30%022%0.223CC..  trans-137.161.4-174.958.3131.3000112.8A236 A242 S243 Y244 L278 P301A236-L240 WeakPolarHBondContact O-CD2 3.42Å; A236-L240 VanDerWaalsContact O-CG 3.28Å; A236-L240 WeakPolarHBondContact O-CG 3.47Å; A236-L240 PolarHBondContact O-N 2.97Å; L240-A242 VanDerWaalsContact C-N 3.32Å; L240-A242 PolarHBondContact O-N 3.44Å; L240-S243 WeakPolarHBondContact CD1-OG 3.41Å; L240-S243 PolarHBondContact O-N 2.72Å; L240-Y244 WeakPolarHBondContact O-CB 3.43Å; L240-Y244 PolarHBondContact O-N 2.88Å; L240-L278 HydrophobicContact CD2-CD2 4.39Å; L240-P301 HydrophobicContact CD1-CB 4.27Å; L240-P301 HydrophobicContact CD1-CG 3.92Å
241P96Very high93.8Very high64 Ų6440.4 Ų40.442%0.41622%0.22SC..THydrogen-bonded Turntrans-59.8-32.4-171.723.4-34.6000114.9Q237Q237-P241 WeakPolarHBondContact O-CA 2.8Å; Q237-P241 WeakPolarHBondContact O-CB 3.5Å
242A93.1Very high94.1Very high78 Ų7842.3 Ų42.365%0.64523%0.229SC*.THydrogen-bonded Turntrans-76.6-31.1-177.800000112.9L240 E304L240-A242 VanDerWaalsContact C-N 3.32Å; L240-A242 PolarHBondContact O-N 3.44Å; A242-E304 WeakPolarHBondContact CB-OE1 3.19Å; A242-E304 WeakPolarHBondContact CB-OE2 3.42Å; A242-E304 PolarHBondContact N-OE1 2.9Å
243S91.3Very high94.2Very high19 Ų1942.4 Ų42.413%0.13323%0.23CC..THydrogen-bonded Turntrans-107.10.2-17859.70000114L240 Y245 D246 H247L240-S243 WeakPolarHBondContact CD1-OG 3.41Å; L240-S243 PolarHBondContact O-N 2.72Å; S243-Y245 VanDerWaalsContact C-N 3.27Å; S243-Y245 PolarHBondContact O-N 2.94Å; S243-D246 WeakPolarHBondContact O-CB 3.41Å; S243-D246 PolarHBondContact O-N 2.87Å; S243-H247 PolarHBondContact O-ND1 2.87Å
244Y93.1Very high94.3Very high22 Ų2242 Ų429%0.08623%0.228CC..G310 helixtrans-52.5-43.6-179.7169.2-100.2000112.6W230 N233 A236 Q237 L240 D246 H247 V249W230-Y244 WeakPolarHBondContact CZ2-OH 3.3Å; N233-Y244 HydrophobicContact CB-CE2 4.44Å; N233-Y244 PolarHBondContact OD1-OH 2.89Å; A236-Y244 HydrophobicContact CB-CD2 4.03Å; A236-Y244 HydrophobicContact CB-CE2 4.17Å; Q237-Y244 HydrophobicContact CB-CD1 4.5Å; Q237-Y244 HydrophobicContact CB-CD2 3.83Å; Q237-Y244 HydrophobicContact CB-CE2 3.92Å; Q237-Y244 HydrophobicContact CB-CG 4.12Å; Q237-Y244 HydrophobicContact CG-CD1 4.31Å; Q237-Y244 HydrophobicContact CG-CD2 4.46Å; Q237-Y244 HydrophobicContact CG-CG 4.26Å; L240-Y244 WeakPolarHBondContact O-CB 3.43Å; L240-Y244 PolarHBondContact O-N 2.88Å; Y244-D246 PolarHBondContact O-N 2.84Å; Y244-H247 PolarHBondContact O-N 3.46Å; Y244-V249 HydrophobicContact CE2-CG2 4.27Å
245Y90.4Very high94.4Very high172 Ų17241.3 Ų41.368%0.67522%0.224SC*.G310 helixtrans-74.2-7-179.1-64.3-73.7000114.5S243 H247S243-Y245 VanDerWaalsContact C-N 3.27Å; S243-Y245 PolarHBondContact O-N 2.94Å; Y245-H247 VanDerWaalsContact C-N 3.26Å
246D90.1Very high94.5Very high98 Ų9841.3 Ų41.352%0.52422%0.224SC..G310 helixtrans-87.72.1173-57.6-41.4000112.2S243 Y244 D281S243-D246 WeakPolarHBondContact O-CB 3.41Å; S243-D246 PolarHBondContact O-N 2.87Å; Y244-D246 PolarHBondContact O-N 2.84Å; D246-D281 PolarHBondContact O-N 2.92Å
247H91.8Very high94.5Very high33 Ų3341.3 Ų41.315%0.15322%0.224CC..EExtended strand (participates in β ladder)trans-133.7147.8-174.1-57.779.6000111.3S243 Y244 Y245 L278 T279S243-H247 PolarHBondContact O-ND1 2.87Å; Y244-H247 PolarHBondContact O-N 3.46Å; Y245-H247 VanDerWaalsContact C-N 3.26Å; H247-L278 HydrophobicContact CB-CD1 3.48Å; H247-L278 VanDerWaalsContact CB-CD1 3.48Å; H247-L278 HydrophobicContact CB-CG 4.07Å; H247-T279 CarbonylContact C-O 3.59Å; H247-T279 VanDerWaalsContact CA-O 3.31Å; H247-T279 WeakPolarHBondContact CA-O 3.43Å
248D92.3Very high94.6Very high87 Ų8737.4 Ų37.447%0.46521%0.206SC..EExtended strand (participates in β ladder)trans-93.4140.1164.9-174.831.9000110.1L278 T279D248-L278 WeakPolarHBondContact O-CA 3.46Å; D248-T279 PolarHBondContact N-O 3.16Å; D248-T279 PolarHBondContact O-N 3.4Å
249V94.1Very high94.6Very high9 Ų934.5 Ų34.56%0.05519%0.192CC..EExtended strand (participates in β ladder)trans-119.9101.5176.7-179.10000108.9L196 A232 N233 A236 Y244 A277 L278L196-V249 HydrophobicContact CD1-CG1 4.23Å; A232-V249 HydrophobicContact CB-CG1 3.51Å; N233-V249 PolarHBondContact ND2-O 2.84Å; N233-V249 WeakPolarHBondContact OD1-CB 3.27Å; A236-V249 HydrophobicContact CB-CG2 3.82Å; Y244-V249 HydrophobicContact CE2-CG2 4.27Å; V249-A277 WeakPolarHBondContact CA-O 3.38Å; V249-L278 HydrophobicContact CG2-CD1 3.47Å; V249-L278 VanDerWaalsContact CG2-CD1 3.47Å
250A93.4Very high94.3Very high34 Ų3435.8 Ų35.828%0.28120%0.199SC..EExtended strand (participates in β ladder)trans-105.4124.3-17700000111.2L252 A276 A277A250-L252 HydrophobicContact CB-CD2 4.45Å; A250-L252 PolarHBondContact O-N 3Å; A250-A276 CarbonylContact O-C 3.51Å; A250-A276 WeakPolarHBondContact O-CA 3.48Å; A250-A276 WeakPolarHBondContact O-CB 2.87Å; A250-A277 PolarHBondContact N-O 3.27Å; A250-A277 PolarHBondContact O-N 2.73Å
251T95Very high94Very high38 Ų3836 Ų3623%0.23320%0.201CC..EExtended strand (participates in β ladder)trans-75.5117165.7-640000108.7T229 I334T229-T251 HydrophobicContact CG2-CG2 4.38Å; T229-T251 PolarHBondContact O-OG1 2.79Å; T251-I334 HydrophobicContact CG2-CG2 4.25Å
252L96Very high93.8Very high45 Ų4538.2 Ų38.224%0.23620%0.201CC..EExtended strand (participates in β ladder)trans-82.3-28.4-177.5-57.5-175.3000112.5A250 L275 A277 P329 L331A250-L252 HydrophobicContact CB-CD2 4.45Å; A250-L252 PolarHBondContact O-N 3Å; L252-L275 HydrophobicContact CB-CB 4.49Å; L252-L275 HydrophobicContact CB-CD2 4.43Å; L252-L275 HydrophobicContact CB-CG 4.42Å; L252-L275 HydrophobicContact CD1-CD2 3.91Å; L252-L275 HydrophobicContact CD1-CG 4.11Å; L252-L275 PolarHBondContact N-O 3.25Å; L252-A277 HydrophobicContact CD1-CB 4.1Å; L252-A277 HydrophobicContact CD2-CB 4.39Å; L252-A277 HydrophobicContact CG-CB 4.33Å; L252-P329 HydrophobicContact CB-CB 4.34Å; L252-P329 HydrophobicContact CB-CG 4.17Å; L252-P329 HydrophobicContact CD1-CG 4.45Å; L252-P329 HydrophobicContact CD2-CG 4.42Å; L252-L331 HydrophobicContact CB-CD1 4.24Å
253G95.7Very high93.9Very high2 Ų239.5 Ų39.52%0.02119%0.194CC..EExtended strand (participates in β ladder)trans161-173.6176.300000113.5T274 L275G253-T274 WeakPolarHBondContact O-CA 3.32Å; G253-L275 PolarHBondContact N-O 3.24Å; G253-L275 PolarHBondContact O-N 2.93Å
254V97.1Very high94.1Very high1 Ų142.1 Ų42.11%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-101.5127.8177.7-177.50000108.9I111 S256 F272 N273 T274 L332 I334I111-V254 HydrophobicContact CD1-CB 4.42Å; I111-V254 HydrophobicContact CD1-CG1 4.35Å; I111-V254 HydrophobicContact CD1-CG2 4.01Å; V254-S256 VanDerWaalsContact CG1-O 3.28Å; V254-S256 WeakPolarHBondContact CG1-O 3.21Å; V254-F272 HydrophobicContact CG2-CD1 4.42Å; V254-N273 CarbonylContact C-O 3.56Å; V254-T274 HydrophobicContact CG2-CG2 4.33Å; V254-L332 HydrophobicContact CB-CB 4.14Å; V254-L332 HydrophobicContact CB-CD2 4.23Å; V254-L332 HydrophobicContact CB-CG 4.29Å; V254-L332 HydrophobicContact CG1-CD2 4.3Å; V254-L332 PolarHBondContact N-O 2.89Å; V254-L332 WeakPolarHBondContact O-CB 3.43Å; V254-L332 PolarHBondContact O-N 3.23Å; V254-I334 HydrophobicContact CG2-CB 3.97Å; V254-I334 HydrophobicContact CG2-CG2 4.05Å
255L96.8Very high94Very high14 Ų1442.1 Ų42.17%0.07321%0.21CC..EExtended strand (participates in β ladder)trans-81.4-44.9175.3-68.3163.4000110.9L18 L19 L195 N273 L275 L331L18-L255 HydrophobicContact CB-CD1 4.21Å; L19-L255 HydrophobicContact CD2-CD2 3.81Å; L195-L255 HydrophobicContact CD2-CD1 4.28Å; L255-N273 HydrophobicContact CB-CB 4.38Å; L255-N273 WeakPolarHBondContact CB-O 3.27Å; L255-N273 PolarHBondContact N-O 3.1Å; L255-L275 HydrophobicContact CD1-CB 4.25Å; L255-L275 HydrophobicContact CG-CB 4.28Å; L255-L331 HydrophobicContact CD2-CD2 3.54Å; L255-L331 HydrophobicContact CG-CD2 4.37Å
256S96.5Very high94.1Very high1 Ų142.1 Ų42.11%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-156.9158.2175.5630000111.3G21 Q22 V254 N273G21-S256 VanDerWaalsContact O-CB 3.31Å; G21-S256 WeakPolarHBondContact O-CB 3.27Å; Q22-S256 WeakPolarHBondContact O-CB 3.36Å; Q22-S256 PolarHBondContact O-OG 2.89Å; V254-S256 VanDerWaalsContact CG1-O 3.28Å; V254-S256 WeakPolarHBondContact CG1-O 3.21Å; S256-N273 PolarHBondContact O-N 3.18Å; S256-N273 PolarHBondContact OG-ND2 3.17Å
257L96.8Very high94.3Very high0 Ų038 Ų380%019%0.188CC..EExtended strand (participates in β ladder)trans-119.2135.1-179.7-177.672.2000109.5L87 L108 I111 F121 P182 L183 V270 F272L87-L257 HydrophobicContact CD1-CD2 3.99Å; L108-L257 HydrophobicContact CD1-CB 4.26Å; L108-L257 HydrophobicContact CD1-CD2 3.6Å; I111-L257 HydrophobicContact CD1-CD1 4.4Å; F121-L257 HydrophobicContact CD1-CD2 3.74Å; F121-L257 HydrophobicContact CE1-CD1 4.14Å; F121-L257 HydrophobicContact CE1-CD2 3.54Å; F121-L257 HydrophobicContact CE1-CG 4.47Å; P182-L257 CarbonylContact C-O 3.59Å; P182-L257 WeakPolarHBondContact CA-O 3.26Å; P182-L257 HydrophobicContact CB-CD2 4.43Å; P182-L257 HydrophobicContact CG-CD2 4.14Å; L183-L257 PolarHBondContact N-O 3.12Å; L257-V270 HydrophobicContact CD1-CG1 3.38Å; L257-V270 HydrophobicContact CG-CG1 4.32Å; L257-F272 HydrophobicContact CD1-CD1 3.34Å; L257-F272 HydrophobicContact CD1-CE1 3.22Å; L257-F272 HydrophobicContact CD1-CG 4.22Å; L257-F272 HydrophobicContact CD1-CZ 4.04Å
258Q96.8Very high94.5Very high2 Ų236.5 Ų36.51%0.00918%0.181CC..EExtended strand (participates in β ladder)trans-118.9128.4177.6-53.5179.9113.300109.9S24 L183 L185 V270 C271S24-Q258 PolarHBondContact O-NE2 3.35Å; S24-Q258 PolarHBondContact O-OE1 2.9Å; L183-Q258 HydrophobicContact CB-CG 4.3Å; L183-Q258 HydrophobicContact CD1-CG 4.25Å; L185-Q258 HydrophobicContact CB-CB 4.11Å; L185-Q258 HydrophobicContact CB-CG 4.34Å; L185-Q258 HydrophobicContact CD1-CG 4.35Å; Q258-V270 WeakPolarHBondContact O-CA 3.48Å; Q258-C271 HydrophobicContact CB-CB 4.07Å; Q258-C271 HydrophobicContact CG-CB 4.45Å; Q258-C271 PolarHBondContact N-O 2.97Å; Q258-C271 VanDerWaalsContact NE2-CB 3.3Å; Q258-C271 PolarHBondContact NE2-SG 3.48Å; Q258-C271 PolarHBondContact O-N 3.13Å
259H96.5Very high94.6Very high5 Ų532.4 Ų32.42%0.02316%0.159CC..  trans-158.8131.4174.5173-97.7000110.9Y47 L87 L183 L185 G261 G269 V270Y47-H259 AromaticContact CE2-NE2 3.86Å; L87-H259 HydrophobicContact CD1-CB 4.29Å; L183-H259 PolarHBondContact O-N 3.22Å; L185-H259 CarbonylContact O-C 3.49Å; L185-H259 PolarHBondContact O-N 2.98Å; H259-G261 PolarHBondContact CE1-N 3.24Å; H259-G269 PolarHBondContact CD2-O 2.72Å; H259-V270 HydrophobicContact CB-CG2 4.36Å
260N92.1Very high94.8Very high28 Ų2832 Ų3215%0.1516%0.156CC..  trans-132.394172.2174.3-77.3000108.6D184 L185 R262 T267D184-N260 PolarHBondContact OD1-ND2 2.92Å; L185-N260 PolarHBondContact O-N 2.75Å; N260-R262 PolarHBondContact O-N 2.96Å; N260-R262 WeakPolarHBondContact OD1-CB 3.42Å; N260-R262 WeakPolarHBondContact OD1-CG 3.16Å; N260-R262 PolarHBondContact OD1-N 3.06Å; N260-T267 CarbonylContact C-O 3.52Å; N260-T267 CarbonylContact O-C 3.6Å; N260-T267 VanDerWaalsContact O-C 3.32Å; N260-T267 WeakPolarHBondContact O-CB 3.47Å; N260-T267 PolarHBondContact O-OG1 3.04Å
261G88.8Confident94.9Very high3 Ų330.3 Ų30.33%0.03114%0.143CC..THydrogen-bonded Turntrans-77.120.5-176.300000115.7G84 H259G84-G261 CarbonylContact C-O 3.59Å; G84-G261 WeakPolarHBondContact CA-O 3.31Å; G84-G261 PolarHBondContact N-O 2.72Å; H259-G261 PolarHBondContact CE1-N 3.24Å
262R92.9Very high95Very high112 Ų11228.5 Ų28.542%0.42313%0.131SC..THydrogen-bonded Turntrans-77.7-28.5-166.7-58.4-59-173.7-174.30.9114.6G84 E89 N260 T267G84-R262 WeakPolarHBondContact O-CD 3.05Å; G84-R262 PolarHBondContact O-NH1 3.05Å; E89-R262 VanDerWaalsContact CD-NH2 3.29Å; E89-R262 IonicContact OE1-CZ 3.6Å; E89-R262 IonicContact OE1-NH1 2.71Å; E89-R262 PolarHBondContact OE1-NH1 2.78Å; E89-R262 IonicContact OE1-NH2 2.8Å; E89-R262 PolarHBondContact OE1-NH2 2.8Å; E89-R262 IonicContact OE2-CZ 2.67Å; E89-R262 VanDerWaalsContact OE2-CZ 3.23Å; E89-R262 IonicContact OE2-NH1 2.99Å; E89-R262 PolarHBondContact OE2-NH1 3.41Å; E89-R262 IonicContact OE2-NH2 3.07Å; E89-R262 PolarHBondContact OE2-NH2 2.96Å; E89-R262 VanDerWaalsContact OE2-NH2 3.09Å; N260-R262 PolarHBondContact O-N 2.96Å; N260-R262 WeakPolarHBondContact OD1-CB 3.42Å; N260-R262 WeakPolarHBondContact OD1-CG 3.16Å; N260-R262 PolarHBondContact OD1-N 3.06Å; R262-T267 PolarHBondContact N-OG1 3Å
263Q94Very high95Very high104 Ų10426.4 Ų26.449%0.48612%0.12SC..SBendtrans-120.7102.8-180-60.6-175.423.100111.1G265 R266 T267Q263-G265 PolarHBondContact O-N 3.21Å; Q263-R266 HydrophobicContact CB-CB 3.97Å; Q263-R266 PolarHBondContact O-N 3.02Å; Q263-T267 HydrophobicContact CB-CG2 4.02Å; Q263-T267 HydrophobicContact CG-CG2 4.46Å; Q263-T267 PolarHBondContact N-OG1 3.25Å; Q263-T267 PolarHBondContact O-N 3.15Å; Q263-T267 PolarHBondContact O-OG1 3.21Å
264H95.1Very high95.1Very high75 Ų7526.3 Ų26.335%0.34712%0.119SC..THydrogen-bonded Turntrans-51.2126.5-177.3-170.337.5000113.4T40 L41 V83 R266 D268T40-H264 WeakPolarHBondContact CG2-CE1 3.41Å; L41-H264 PolarHBondContact O-CE1 3.28Å; V83-H264 HydrophobicContact CG1-CB 3.56Å; H264-R266 PolarHBondContact O-N 3.1Å; H264-D268 IonicContact CE1-OD2 2.72Å; H264-D268 IonicContact CG-OD2 3.34Å; H264-D268 IonicContact ND1-OD2 3.79Å; H264-D268 PolarHBondContact ND1-OD2 3.48Å
265G92Very high95.1Very high21 Ų2126.2 Ų26.222%0.21612%0.119CC..THydrogen-bonded Turntrans70.73.9-179.200000115.4T40 Q263 D268T40-G265 WeakPolarHBondContact OG1-CA 2.96Å; Q263-G265 PolarHBondContact O-N 3.21Å; G265-D268 PolarHBondContact N-OD2 3.34Å
266R92.7Very high95.1Very high173 Ų17325.6 Ų25.665%0.65312%0.115SC*.THydrogen-bonded Turntrans-116.3-43.1177.4-64.6-174.6175.9-169.2-1.2112.4R188 Q263 H264R188-R266 WeakPolarHBondContact CA-O 3.33Å; Q263-R266 HydrophobicContact CB-CB 3.97Å; Q263-R266 PolarHBondContact O-N 3.02Å; H264-R266 PolarHBondContact O-N 3.1Å
267T94.4Very high95.1Very high12 Ų1226.1 Ų26.17%0.07412%0.12CC..THydrogen-bonded Turntrans-1203.4-174.665.40000113.1C187 N260 R262 Q263 G269C187-T267 CarbonylContact O-C 3.56Å; C187-T267 WeakPolarHBondContact O-CA 3.49Å; C187-T267 VanDerWaalsContact O-O 3.14Å; N260-T267 CarbonylContact C-O 3.52Å; N260-T267 CarbonylContact O-C 3.6Å; N260-T267 VanDerWaalsContact O-C 3.32Å; N260-T267 WeakPolarHBondContact O-CB 3.47Å; N260-T267 PolarHBondContact O-OG1 3.04Å; R262-T267 PolarHBondContact N-OG1 3Å; Q263-T267 HydrophobicContact CB-CG2 4.02Å; Q263-T267 HydrophobicContact CG-CG2 4.46Å; Q263-T267 PolarHBondContact N-OG1 3.25Å; Q263-T267 PolarHBondContact O-N 3.15Å; Q263-T267 PolarHBondContact O-OG1 3.21Å; T267-G269 PolarHBondContact O-N 2.9Å
268D95.2Very high95.1Very high1 Ų126.2 Ų26.21%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-65.42.5178.6-61.6-11.7000113.7A39 T40 L41 Y47 H264 G265A39-D268 HydrophobicContact CB-CB 4.31Å; A39-D268 WeakPolarHBondContact CB-O 3.34Å; T40-D268 WeakPolarHBondContact CA-OD2 3.22Å; L41-D268 HydrophobicContact CB-CB 4.4Å; L41-D268 PolarHBondContact N-OD2 2.53Å; Y47-D268 VanDerWaalsContact CE2-O 3.22Å; Y47-D268 WeakPolarHBondContact CE2-O 3.34Å; Y47-D268 PolarHBondContact OH-O 2.79Å; H264-D268 IonicContact CE1-OD2 2.72Å; H264-D268 IonicContact CG-OD2 3.34Å; H264-D268 IonicContact ND1-OD2 3.79Å; H264-D268 PolarHBondContact ND1-OD2 3.48Å; G265-D268 PolarHBondContact N-OD2 3.34Å
269G95.7Very high94.9Very high0 Ų029.1 Ų29.10%014%0.139CC..EExtended strand (participates in β ladder)trans-79.1168.3177.800000112.6C187 H189 H259 T267C187-G269 WeakPolarHBondContact O-CA 3.49Å; C187-G269 PolarHBondContact O-N 2.79Å; H189-G269 CarbonylContact O-C 3.52Å; H189-G269 VanDerWaalsContact O-CA 3.29Å; H189-G269 WeakPolarHBondContact O-CA 3.22Å; H259-G269 PolarHBondContact CD2-O 2.72Å; T267-G269 PolarHBondContact O-N 2.9Å
270V96.4Very high94.3Very high0 Ų030.8 Ų30.80%015%0.15CC..EExtended strand (participates in β ladder)trans-132.4133.6-179.5178.20000108.4Y47 F121 H189 I190 V191 L257 Q258 H259 F272Y47-V270 HydrophobicContact CE1-CG2 4.29Å; Y47-V270 HydrophobicContact CE2-CG2 3.92Å; F121-V270 HydrophobicContact CZ-CG2 4.31Å; H189-V270 PolarHBondContact O-N 3.32Å; H189-V270 VanDerWaalsContact O-N 3.1Å; I190-V270 CarbonylContact C-O 3.59Å; I190-V270 WeakPolarHBondContact CA-O 3.47Å; V191-V270 PolarHBondContact N-O 2.96Å; L257-V270 HydrophobicContact CD1-CG1 3.38Å; L257-V270 HydrophobicContact CG-CG1 4.32Å; Q258-V270 WeakPolarHBondContact O-CA 3.48Å; H259-V270 HydrophobicContact CB-CG2 4.36Å; V270-F272 HydrophobicContact CB-CE2 4.19Å; V270-F272 HydrophobicContact CB-CZ 4.33Å; V270-F272 HydrophobicContact CG1-CD1 4.42Å; V270-F272 HydrophobicContact CG1-CD2 4.13Å; V270-F272 HydrophobicContact CG1-CE1 3.9Å; V270-F272 HydrophobicContact CG1-CE2 3.59Å; V270-F272 HydrophobicContact CG1-CZ 3.46Å; V270-F272 VanDerWaalsContact CG1-CZ 3.46Å
271C96.7Very high93.6Very high0 Ų034.9 Ų34.90%017%0.171CC..EExtended strand (participates in β ladder)trans-112.1121.9169175.60000110.4V26 C187 V191 Q258V26-C271 HydrophobicContact CG2-CB 3.59Å; V26-C271 VanDerWaalsContact CG2-SG 3.57Å; C187-C271 HydrophobicContact CB-CB 4.43Å; V191-C271 HydrophobicContact CG2-CB 3.61Å; V191-C271 WeakPolarHBondContact O-CA 3.34Å; Q258-C271 HydrophobicContact CB-CB 4.07Å; Q258-C271 HydrophobicContact CG-CB 4.45Å; Q258-C271 PolarHBondContact N-O 2.97Å; Q258-C271 VanDerWaalsContact NE2-CB 3.3Å; Q258-C271 PolarHBondContact NE2-SG 3.48Å; Q258-C271 PolarHBondContact O-N 3.13Å
272F96.5Very high92.4Very high0 Ų040.4 Ų40.40%019%0.192CC..EExtended strand (participates in β ladder)trans-93.7117.7170.2-56.1-84.5000108.5I111 I119 F121 I190 V191 Q192 R193 V228 V254 L257 V270 T274 I334I111-F272 HydrophobicContact CD1-CD1 4.09Å; I111-F272 HydrophobicContact CD1-CE1 3.88Å; I111-F272 HydrophobicContact CG2-CE1 3.94Å; I111-F272 HydrophobicContact CG2-CZ 4.44Å; I119-F272 HydrophobicContact CD1-CE2 4.14Å; I119-F272 HydrophobicContact CD1-CZ 3.91Å; I119-F272 HydrophobicContact CG2-CZ 4.37Å; F121-F272 HydrophobicContact CE1-CE1 4.35Å; I190-F272 HydrophobicContact CG2-CE2 3.95Å; V191-F272 PolarHBondContact O-N 3.14Å; Q192-F272 CarbonylContact C-O 3.47Å; Q192-F272 VanDerWaalsContact CA-O 3.23Å; Q192-F272 WeakPolarHBondContact CA-O 3.42Å; Q192-F272 HydrophobicContact CG-CB 4.21Å; Q192-F272 HydrophobicContact CG-CD2 4.32Å; R193-F272 PolarHBondContact N-O 2.89Å; V228-F272 HydrophobicContact CG1-CD2 3.64Å; V228-F272 HydrophobicContact CG1-CE2 3.63Å; V228-F272 HydrophobicContact CG1-CG 4.37Å; V228-F272 HydrophobicContact CG1-CZ 4.35Å; V254-F272 HydrophobicContact CG2-CD1 4.42Å; L257-F272 HydrophobicContact CD1-CD1 3.34Å; L257-F272 HydrophobicContact CD1-CE1 3.22Å; L257-F272 HydrophobicContact CD1-CG 4.22Å; L257-F272 HydrophobicContact CD1-CZ 4.04Å; V270-F272 HydrophobicContact CB-CE2 4.19Å; V270-F272 HydrophobicContact CB-CZ 4.33Å; V270-F272 HydrophobicContact CG1-CD1 4.42Å; V270-F272 HydrophobicContact CG1-CD2 4.13Å; V270-F272 HydrophobicContact CG1-CE1 3.9Å; V270-F272 HydrophobicContact CG1-CE2 3.59Å; V270-F272 HydrophobicContact CG1-CZ 3.46Å; V270-F272 VanDerWaalsContact CG1-CZ 3.46Å; F272-T274 HydrophobicContact CB-CG2 3.92Å; F272-I334 HydrophobicContact CD1-CD1 4.45Å; F272-I334 HydrophobicContact CE1-CD1 4.5Å
273N96.9Very high90.6Very high0 Ų037.8 Ų37.80%019%0.189CC..EExtended strand (participates in β ladder)trans-85.1113.1165.4-60.4-69.3000106.9L18 R193 V254 L255 S256L18-N273 HydrophobicContact CD2-CB 3.86Å; R193-N273 WeakPolarHBondContact CB-OD1 3.36Å; R193-N273 WeakPolarHBondContact CD-OD1 3.5Å; R193-N273 PolarHBondContact NH1-OD1 2.98Å; R193-N273 CarbonylContact O-C 3.46Å; R193-N273 WeakPolarHBondContact O-CA 3.4Å; V254-N273 CarbonylContact C-O 3.56Å; L255-N273 HydrophobicContact CB-CB 4.38Å; L255-N273 WeakPolarHBondContact CB-O 3.27Å; L255-N273 PolarHBondContact N-O 3.1Å; S256-N273 PolarHBondContact O-N 3.18Å; S256-N273 PolarHBondContact OG-ND2 3.17Å
274T96.6Very high88.8Confident0 Ų039.8 Ų39.80%020%0.198CC..EExtended strand (participates in β ladder)trans-114.5148.3-171.754.90000111.6R193 T194 L195 G253 V254 F272R193-T274 PolarHBondContact O-N 2.81Å; T194-T274 PolarHBondContact OG1-OG1 3.03Å; L195-T274 WeakPolarHBondContact CB-O 3.49Å; L195-T274 PolarHBondContact N-O 2.7Å; G253-T274 WeakPolarHBondContact O-CA 3.32Å; V254-T274 HydrophobicContact CG2-CG2 4.33Å; F272-T274 HydrophobicContact CB-CG2 3.92Å
275L97.6Very high86.8Confident0 Ų045.5 Ų45.50%022%0.217CC..EExtended strand (participates in β ladder)trans-100.6129.9165-174.767.6000108.6L195 L197 L252 G253 L255 Q325 L331L195-L275 HydrophobicContact CB-CD1 4.05Å; L195-L275 HydrophobicContact CD2-CD1 3.62Å; L195-L275 HydrophobicContact CG-CD1 3.64Å; L197-L275 HydrophobicContact CD1-CD1 3.7Å; L197-L275 HydrophobicContact CD1-CG 4.47Å; L197-L275 HydrophobicContact CD2-CD1 4.37Å; L197-L275 HydrophobicContact CG-CD1 3.75Å; L252-L275 HydrophobicContact CB-CB 4.49Å; L252-L275 HydrophobicContact CB-CD2 4.43Å; L252-L275 HydrophobicContact CB-CG 4.42Å; L252-L275 HydrophobicContact CD1-CD2 3.91Å; L252-L275 HydrophobicContact CD1-CG 4.11Å; L252-L275 PolarHBondContact N-O 3.25Å; G253-L275 PolarHBondContact N-O 3.24Å; G253-L275 PolarHBondContact O-N 2.93Å; L255-L275 HydrophobicContact CD1-CB 4.25Å; L255-L275 HydrophobicContact CG-CB 4.28Å; L275-Q325 HydrophobicContact CD2-CB 3.64Å; L275-L331 HydrophobicContact CB-CD1 3.63Å; L275-L331 HydrophobicContact CD2-CD1 3.7Å; L275-L331 HydrophobicContact CG-CD1 4.26Å
276A97.2Very high85.4Confident0 Ų047.8 Ų47.80%022%0.224CC..EExtended strand (participates in β ladder)trans-131.7156.8173.900000110.8T194 L195 L196 L197 A232 A250T194-A276 HydrophobicContact CG2-CB 3.94Å; L195-A276 PolarHBondContact O-N 3.48Å; L196-A276 HydrophobicContact CD1-CB 3.84Å; L197-A276 PolarHBondContact N-O 2.84Å; A232-A276 HydrophobicContact CB-CB 3.54Å; A250-A276 CarbonylContact O-C 3.51Å; A250-A276 WeakPolarHBondContact O-CA 3.48Å; A250-A276 WeakPolarHBondContact O-CB 2.87Å
277A96.6Very high83.9Confident12 Ų1249.3 Ų49.310%0.09924%0.239CC..EExtended strand (participates in β ladder)trans-123.3136.3175.100000110.3L197 V249 A250 L252L197-A277 WeakPolarHBondContact O-CA 3.3Å; V249-A277 WeakPolarHBondContact CA-O 3.38Å; A250-A277 PolarHBondContact N-O 3.27Å; A250-A277 PolarHBondContact O-N 2.73Å; L252-A277 HydrophobicContact CD1-CB 4.1Å; L252-A277 HydrophobicContact CD2-CB 4.39Å; L252-A277 HydrophobicContact CG-CB 4.33Å
278L95.8Very high82.5Confident2 Ų255.5 Ų55.51%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-97.6113.5165.9-176.875.5000107.5L196 L197 F198 A236 L240 H247 D248 V249 P301 W310L196-L278 HydrophobicContact CD1-CB 4.12Å; L196-L278 HydrophobicContact CG-CB 4.48Å; L197-L278 PolarHBondContact O-N 3.25Å; F198-L278 HydrophobicContact CD2-CD2 4.3Å; F198-L278 WeakPolarHBondContact CD2-O 3.36Å; A236-L278 HydrophobicContact CB-CD1 4.44Å; L240-L278 HydrophobicContact CD2-CD2 4.39Å; H247-L278 HydrophobicContact CB-CD1 3.48Å; H247-L278 VanDerWaalsContact CB-CD1 3.48Å; H247-L278 HydrophobicContact CB-CG 4.07Å; D248-L278 WeakPolarHBondContact O-CA 3.46Å; V249-L278 HydrophobicContact CG2-CD1 3.47Å; V249-L278 VanDerWaalsContact CG2-CD1 3.47Å; L278-P301 HydrophobicContact CD2-CG 3.78Å; L278-W310 HydrophobicContact CD2-CH2 3.93Å; L278-W310 HydrophobicContact CD2-CZ2 3.73Å
279T92.1Very high80.8Confident64 Ų6457 Ų5739%0.39329%0.287SS..EExtended strand (participates in β ladder)trans-119.6137.817949.40000110.2H247 D248 D281H247-T279 CarbonylContact C-O 3.59Å; H247-T279 VanDerWaalsContact CA-O 3.31Å; H247-T279 WeakPolarHBondContact CA-O 3.43Å; D248-T279 PolarHBondContact N-O 3.16Å; D248-T279 PolarHBondContact O-N 3.4Å; T279-D281 PolarHBondContact O-N 3.3Å
280P85.8Confident79.1Confident40 Ų4062.5 Ų62.526%0.2632%0.316SS..EExtended strand (participates in β ladder)trans-57.3132.9172.1-20.531.4000110.1F198 R282 P297F198-P280 HydrophobicContact CE2-CG 4.33Å; P280-R282 PolarHBondContact O-N 2.86Å; P280-P297 HydrophobicContact CG-CG 3.68Å
281D76.5Confident77.2Confident113 Ų11365.8 Ų65.860%0.60434%0.343SS*.  trans-63135.1172.9-166.410.2000108.8D246 T279D246-D281 PolarHBondContact O-N 2.92Å; T279-D281 PolarHBondContact O-N 3.3Å
282R64.6Low75.4Confident120 Ų12067.7 Ų67.745%0.45336%0.359SS..  trans-137.3141-179.9-79-166.1-174.7-159.5-3.9114.3P280 R294 P295P280-R282 PolarHBondContact O-N 2.86Å; R282-R294 PolarHBondContact NH1-O 2.79Å; R282-R294 PolarHBondContact NH2-O 3.02Å; R282-P295 PolarHBondContact NH2-O 2.86Å
283P54.3Low73.4Confident57 Ų5776.3 Ų76.337%0.3740%0.399SS..  cis-109.8147.5-7.931.3-16.2000112.8R285 A291P283-R285 PolarHBondContact O-N 3.08Å; P283-A291 HydrophobicContact CB-CB 4.28Å; P283-A291 HydrophobicContact CG-CB 3.45Å; P283-A291 VanDerWaalsContact CG-CB 3.45Å
284Q55.3Low71.6Confident146 Ų14684.5 Ų84.568%0.68243%0.43SS*.  trans-56.7120.2150.3-103.4173.7-5.900107.1
285R54.9Low70.2Confident195 Ų19590 Ų9074%0.73647%0.466SS*.BIsolated β-bridgetrans-66.5138.5173.2-64.4-177-177.4-153.61.1108.5P283 L290P283-R285 PolarHBondContact O-N 3.08Å; R285-L290 WeakPolarHBondContact CA-O 3.49Å
286D61.4Low69Low69 Ų6992.5 Ų92.537%0.36949%0.486SS..  trans-65.7176.4167.759.915.8000110.8D288 G289 L290D286-D288 PolarHBondContact O-N 3.32Å; D286-D288 WeakPolarHBondContact OD1-CA 3.19Å; D286-D288 PolarHBondContact OD1-N 2.71Å; D286-G289 PolarHBondContact O-N 2.87Å; D286-G289 PolarHBondContact OD1-N 2.88Å; D286-L290 PolarHBondContact N-O 2.89Å; D286-L290 VanDerWaalsContact N-O 3.14Å; D286-L290 WeakPolarHBondContact OD1-CB 3.47Å; D286-L290 PolarHBondContact OD1-N 3.29Å
287E60.5Low68.3Low205 Ų20594.8 Ų94.896%0.95850%0.501SS*.THydrogen-bonded Turntrans-56.3-18.9178.9-66.3-170.9156.600112.8
288D66.8Low67.8Low142 Ų14297.1 Ų97.176%0.75952%0.52SS*.THydrogen-bonded Turntrans-982.1179.4-65-43.1000113.7D286 L290D286-D288 PolarHBondContact O-N 3.32Å; D286-D288 WeakPolarHBondContact OD1-CA 3.19Å; D286-D288 PolarHBondContact OD1-N 2.71Å; D288-L290 VanDerWaalsContact C-N 3.35Å
289G57.8Low67.6Low33 Ų33100.9 Ų100.934%0.3454%0.543SS..SBendtrans82.66.5176.200000115D286D286-G289 PolarHBondContact O-N 2.87Å; D286-G289 PolarHBondContact OD1-N 2.88Å
290L60.8Low67.8Low114 Ų11498.6 Ų98.660%0.59753%0.53SS*.  trans-86.1149.8-178.7-65.9166000111.4R285 D286 D288 A292R285-L290 WeakPolarHBondContact CA-O 3.49Å; D286-L290 PolarHBondContact N-O 2.89Å; D286-L290 VanDerWaalsContact N-O 3.14Å; D286-L290 WeakPolarHBondContact OD1-CB 3.47Å; D286-L290 PolarHBondContact OD1-N 3.29Å; D288-L290 VanDerWaalsContact C-N 3.35Å; L290-A292 PolarHBondContact O-N 3.32Å
291A57Low68.2Low70 Ų7097.3 Ų97.358%0.57952%0.521SS*.BIsolated β-bridgetrans-66.7103.4175.300000110.3P283 E293P283-A291 HydrophobicContact CB-CB 4.28Å; P283-A291 HydrophobicContact CG-CB 3.45Å; P283-A291 VanDerWaalsContact CG-CB 3.45Å; A291-E293 PolarHBondContact O-N 2.84Å; A291-E293 VanDerWaalsContact O-N 3.12Å
292A57.7Low69.1Low39 Ų3996.7 Ų96.732%0.32252%0.524SS..  trans-71.8104.9173.100000109.9L290 R294L290-A292 PolarHBondContact O-N 3.32Å; A292-R294 VanDerWaalsContact C-N 3.34Å; A292-R294 PolarHBondContact O-N 3.35Å
293E54.4Low70.6Confident182 Ų18293.1 Ų93.185%0.8552%0.515SS*.  trans-70.587.9170.4-72.6-170.2170.200109.9A291A291-E293 PolarHBondContact O-N 2.84Å; A291-E293 VanDerWaalsContact O-N 3.12Å
294R60.9Low72.6Confident172 Ų17295 Ų9565%0.64952%0.518SS*.PPolyproline II helixtrans-70.6150165.5-80.4-176.9167.6161.8-0.1110R282 A292R282-R294 PolarHBondContact NH1-O 2.79Å; R282-R294 PolarHBondContact NH2-O 3.02Å; A292-R294 VanDerWaalsContact C-N 3.34Å; A292-R294 PolarHBondContact O-N 3.35Å
295P66.7Low74.5Confident116 Ų11690 Ų9075%0.75350%0.496SS*.PPolyproline II helixtrans-64.3153.8165.825.1-31.9000110.7R282R282-P295 PolarHBondContact NH2-O 2.86Å
296A71Confident76.3Confident51 Ų5185.9 Ų85.942%0.42150%0.495SS..PPolyproline II helixtrans-58.8141.5175.600000109.9A298A296-A298 PolarHBondContact O-N 2.77Å
297P83.1Confident77.9Confident49 Ų4986.1 Ų86.132%0.31849%0.491SS..PPolyproline II helixtrans-61.7140.5-179.8-13.125.6000110.2F198 G200 A201 P280 T299F198-P297 HydrophobicContact CZ-CB 3.98Å; F198-P297 HydrophobicContact CZ-CG 3.93Å; G200-P297 CarbonylContact C-O 3.59Å; G200-P297 WeakPolarHBondContact CA-O 3.32Å; A201-P297 PolarHBondContact N-O 2.95Å; P280-P297 HydrophobicContact CG-CG 3.68Å; P297-T299 VanDerWaalsContact C-N 3.25Å; P297-T299 PolarHBondContact O-N 3.05Å
298A86.5Confident79.7Confident60 Ų6076.5 Ų76.550%0.49645%0.446SS..SBendtrans-71.8-20.9178.900000113.3A201 W206 A296A201-A298 HydrophobicContact CB-CB 4.44Å; W206-A298 WeakPolarHBondContact CH2-O 3.49Å; A296-A298 PolarHBondContact O-N 2.77Å
299T92.5Very high81.1Confident82 Ų8270.7 Ų70.750%0.50342%0.416SS..SBendtrans-143.6158.2-177.154.80000109.9F198 W206 P297F198-T299 VanDerWaalsContact CE1-C 3.46Å; F198-T299 WeakPolarHBondContact CE1-O 3.41Å; W206-T299 HydrophobicContact CZ2-CG2 4.33Å; P297-T299 VanDerWaalsContact C-N 3.25Å; P297-T299 PolarHBondContact O-N 3.05Å
300P94.9Very high83Confident16 Ų1670.8 Ų70.810%0.10441%0.406CS..PPolyproline II helixtrans-63.1161.4173.926.9-36000112.2F198 W206 W310F198-P300 HydrophobicContact CB-CB 4.06Å; F198-P300 HydrophobicContact CD1-CB 3.64Å; F198-P300 HydrophobicContact CD1-CG 4.39Å; F198-P300 HydrophobicContact CD2-CB 4.25Å; F198-P300 VanDerWaalsContact CE1-CA 3.46Å; F198-P300 HydrophobicContact CE1-CB 4.13Å; F198-P300 HydrophobicContact CG-CB 3.71Å; W206-P300 HydrophobicContact CB-CG 4.18Å; W206-P300 HydrophobicContact CD2-CG 4.14Å; W206-P300 HydrophobicContact CG-CG 3.82Å; P300-W310 HydrophobicContact CB-CD2 3.68Å; P300-W310 HydrophobicContact CB-CE3 4.29Å; P300-W310 HydrophobicContact CB-CG 3.84Å; P300-W310 HydrophobicContact CB-CZ2 4.05Å; P300-W310 HydrophobicContact CG-CB 3.85Å; P300-W310 HydrophobicContact CG-CD2 3.78Å; P300-W310 HydrophobicContact CG-CE3 4.43Å; P300-W310 HydrophobicContact CG-CG 3.47Å; P300-W310 VanDerWaalsContact CG-CG 3.47Å
301P94.8Very high84.7Confident12 Ų1265.5 Ų65.58%0.07838%0.378CS..PPolyproline II helixtrans-58.7145.5170.926.8-35.5000110.7L240 L278 V303 W310L240-P301 HydrophobicContact CD1-CB 4.27Å; L240-P301 HydrophobicContact CD1-CG 3.92Å; L278-P301 HydrophobicContact CD2-CG 3.78Å; P301-V303 PolarHBondContact O-N 3.04Å; P301-W310 PolarHBondContact O-NE1 2.94Å
302P94.6Very high86.7Confident101 Ų10164.2 Ų64.266%0.65636%0.36SS*.PPolyproline II helixtrans-62.8137.7178.827.5-33.9000110.4
303V95.9Very high88.6Confident45 Ų4562.4 Ų62.427%0.27335%0.345SS..PPolyproline II helixtrans-77.8133.8168.5-66.90000109.3L208 A239 P301L208-V303 HydrophobicContact CD1-CG1 3.8Å; A239-V303 HydrophobicContact CB-CG1 4.34Å; A239-V303 CarbonylContact O-C 3.59Å; A239-V303 WeakPolarHBondContact O-CA 3.33Å; P301-V303 PolarHBondContact O-N 3.04Å
304E96.3Very high90.6Very high95 Ų9558.4 Ų58.444%0.44433%0.326SS..  trans-97.5-30178.8-61.5164.2-12200111A239 A242A239-E304 PolarHBondContact O-N 2.88Å; A242-E304 WeakPolarHBondContact CB-OE1 3.19Å; A242-E304 WeakPolarHBondContact CB-OE2 3.42Å; A242-E304 PolarHBondContact N-OE1 2.9Å
305N95.6Very high92.3Very high41 Ų4151.2 Ų51.222%0.21930%0.304CS..SBendtrans-86.5118.4176.1-175.4-20.1000110.4E238 A239 R307 Y308E238-N305 WeakPolarHBondContact O-CB 3.5Å; E238-N305 PolarHBondContact O-ND2 3.46Å; A239-N305 PolarHBondContact O-N 2.96Å; N305-R307 PolarHBondContact O-N 3.46Å; N305-R307 VanDerWaalsContact O-N 3.07Å; N305-R307 VanDerWaalsContact OD1-CB 3.23Å; N305-R307 WeakPolarHBondContact OD1-CB 3.39Å; N305-R307 PolarHBondContact OD1-N 3.35Å; N305-Y308 HydrophobicContact CB-CD2 4.02Å; N305-Y308 PolarHBondContact O-N 3.47Å
306P93.5Very high93.7Very high109 Ų10950.8 Ų50.871%0.70830%0.301SS*.THydrogen-bonded Turntrans-67.8-10.3-176.129.6-37.1000113.7Q211 Y308Q211-P306 PolarHBondContact OE1-O 3.02Å; P306-Y308 PolarHBondContact O-N 3.45Å
307R95.1Very high95Very high74 Ų7451.7 Ų51.728%0.27931%0.308SS..THydrogen-bonded Turntrans-66.4-19169.9-177.5175.9-179.5-168.76.1112D30 V210 Q211 E238 N305D30-R307 PolarHBondContact O-NH1 2.96Å; D30-R307 PolarHBondContact O-NH2 3.47Å; D30-R307 VanDerWaalsContact O-NH2 3.08Å; D30-R307 IonicContact OD1-CZ 3.86Å; D30-R307 IonicContact OD1-NH2 3.97Å; D30-R307 PolarHBondContact OD1-NH2 3.42Å; V210-R307 CarbonylContact C-O 3.52Å; V210-R307 WeakPolarHBondContact CA-O 3.35Å; V210-R307 HydrophobicContact CG1-CG 3.86Å; Q211-R307 WeakPolarHBondContact CB-O 3.13Å; Q211-R307 PolarHBondContact N-O 2.76Å; E238-R307 IonicContact OE1-NH1 2.77Å; E238-R307 IonicContact OE2-NH1 2.73Å; N305-R307 PolarHBondContact O-N 3.46Å; N305-R307 VanDerWaalsContact O-N 3.07Å; N305-R307 VanDerWaalsContact OD1-CB 3.23Å; N305-R307 WeakPolarHBondContact OD1-CB 3.39Å; N305-R307 PolarHBondContact OD1-N 3.35Å
308Y97.1Very high95.7Very high4 Ų449.6 Ų49.62%0.01629%0.294CS..EExtended strand (participates in β ladder)trans-110.7154.6-176-68.1-89.7000112.3L208 L209 V210 P218 E238 A239 N305 P306L208-Y308 HydrophobicContact CD1-CD1 4.29Å; L208-Y308 HydrophobicContact CD2-CD1 3.98Å; L208-Y308 HydrophobicContact CD2-CE1 4.37Å; L208-Y308 HydrophobicContact CG-CD1 4.01Å; L209-Y308 CarbonylContact O-C 3.58Å; L209-Y308 VanDerWaalsContact O-CA 3.26Å; L209-Y308 WeakPolarHBondContact O-CA 3.48Å; V210-Y308 HydrophobicContact CG2-CD1 4.03Å; V210-Y308 HydrophobicContact CG2-CE1 3.51Å; P218-Y308 HydrophobicContact CG-CE1 4.26Å; E238-Y308 HydrophobicContact CB-CE2 4.08Å; E238-Y308 HydrophobicContact CG-CE2 4.05Å; E238-Y308 WeakPolarHBondContact OE2-CE2 3.37Å; E238-Y308 VanDerWaalsContact OE2-CZ 3.24Å; E238-Y308 PolarHBondContact OE2-OH 3.47Å; A239-Y308 HydrophobicContact CB-CD1 3.92Å; A239-Y308 HydrophobicContact CB-CD2 3.78Å; A239-Y308 HydrophobicContact CB-CE1 4.43Å; A239-Y308 HydrophobicContact CB-CE2 4.32Å; A239-Y308 HydrophobicContact CB-CG 3.55Å; N305-Y308 HydrophobicContact CB-CD2 4.02Å; N305-Y308 PolarHBondContact O-N 3.47Å; P306-Y308 PolarHBondContact O-N 3.45Å
309V97.1Very high96.2Very high20 Ų2049.3 Ų49.312%0.12128%0.282CS..EExtended strand (participates in β ladder)trans-149.1142.8173.566.80000110.5V3 L209 Q211V3-V309 HydrophobicContact CG2-CG1 3.69Å; V3-V309 HydrophobicContact CG2-CG2 4.27Å; L209-V309 HydrophobicContact CB-CG1 4Å; L209-V309 PolarHBondContact N-O 3.38Å; L209-V309 PolarHBondContact O-N 2.91Å; Q211-V309 HydrophobicContact CG-CB 4.06Å; Q211-V309 HydrophobicContact CG-CG1 3.72Å
310W97.4Very high96.4Very high35 Ų3552.4 Ų52.413%0.13329%0.291CS..EExtended strand (participates in β ladder)trans-83.4127.1165.3-71.6112.3000110.1F198 W206 I207 L208 L278 P300 P301F198-W310 HydrophobicContact CB-CH2 3.87Å; F198-W310 HydrophobicContact CB-CZ3 3.85Å; W206-W310 HydrophobicContact CB-CD2 4.45Å; W206-W310 HydrophobicContact CB-CE3 3.75Å; W206-W310 HydrophobicContact CB-CZ3 4.35Å; I207-W310 VanDerWaalsContact C-CE3 3.44Å; L208-W310 HydrophobicContact CB-CD2 4.49Å; L208-W310 HydrophobicContact CB-CE3 3.95Å; L208-W310 HydrophobicContact CB-CH2 3.85Å; L208-W310 HydrophobicContact CB-CZ2 4.38Å; L208-W310 HydrophobicContact CB-CZ3 3.62Å; L208-W310 HydrophobicContact CD1-CD2 3.99Å; L208-W310 HydrophobicContact CD1-CE3 4.3Å; L208-W310 HydrophobicContact CD1-CH2 4.35Å; L208-W310 HydrophobicContact CD1-CZ2 4.03Å; L208-W310 HydrophobicContact CD1-CZ3 4.49Å; L208-W310 VanDerWaalsContact N-CZ3 3.3Å; L278-W310 HydrophobicContact CD2-CH2 3.93Å; L278-W310 HydrophobicContact CD2-CZ2 3.73Å; P300-W310 HydrophobicContact CB-CD2 3.68Å; P300-W310 HydrophobicContact CB-CE3 4.29Å; P300-W310 HydrophobicContact CB-CG 3.84Å; P300-W310 HydrophobicContact CB-CZ2 4.05Å; P300-W310 HydrophobicContact CG-CB 3.85Å; P300-W310 HydrophobicContact CG-CD2 3.78Å; P300-W310 HydrophobicContact CG-CE3 4.43Å; P300-W310 HydrophobicContact CG-CG 3.47Å; P300-W310 VanDerWaalsContact CG-CG 3.47Å; P301-W310 PolarHBondContact O-NE1 2.94Å
311M97.4Very high96.5Very high3 Ų354.1 Ų54.12%0.01530%0.297CS..EExtended strand (participates in β ladder)trans-108.1121171.2-174.7-170.177.200109.4V3 R8 V11 E12 W206 I207 L209V3-M311 HydrophobicContact CB-CG 4.48Å; V3-M311 HydrophobicContact CG1-CG 4.39Å; V3-M311 HydrophobicContact CG1-SD 4.14Å; V3-M311 HydrophobicContact CG2-CB 4.42Å; R8-M311 HydrophobicContact CB-SD 3.96Å; R8-M311 HydrophobicContact CG-CE 4.37Å; R8-M311 HydrophobicContact CG-CG 4.26Å; R8-M311 HydrophobicContact CG-SD 3.72Å; V11-M311 HydrophobicContact CB-CE 3.96Å; V11-M311 HydrophobicContact CB-SD 4Å; V11-M311 HydrophobicContact CG1-CE 3.51Å; V11-M311 HydrophobicContact CG1-SD 4.04Å; V11-M311 HydrophobicContact CG2-SD 4.48Å; E12-M311 HydrophobicContact CG-CE 4.25Å; W206-M311 CarbonylContact C-O 3.52Å; W206-M311 VanDerWaalsContact CA-O 3.27Å; W206-M311 WeakPolarHBondContact CA-O 3.12Å; I207-M311 HydrophobicContact CD1-CE 4.14Å; I207-M311 PolarHBondContact N-O 2.82Å; I207-M311 PolarHBondContact O-N 3.43Å; L209-M311 HydrophobicContact CD1-CB 3.62Å; L209-M311 HydrophobicContact CD1-CE 4.44Å; L209-M311 HydrophobicContact CD1-CG 4.26Å; L209-M311 HydrophobicContact CD1-SD 3.77Å; L209-M311 HydrophobicContact CG-CB 4.26Å
312E97.3Very high96.7Very high42 Ų4253.5 Ų53.520%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-73.6131.5169.6-171176.4-171.800110.5R204 W206 Q314R204-E312 IonicContact CZ-OE1 3.55Å; R204-E312 IonicContact CZ-OE2 3.31Å; R204-E312 IonicContact NE-OE1 3.74Å; R204-E312 PolarHBondContact NE-OE1 2.83Å; R204-E312 IonicContact NE-OE2 3.82Å; R204-E312 IonicContact NH2-OE1 2.67Å; R204-E312 PolarHBondContact NH2-OE1 2.9Å; R204-E312 VanDerWaalsContact NH2-OE1 3.13Å; R204-E312 IonicContact NH2-OE2 2.81Å; R204-E312 PolarHBondContact NH2-OE2 2.98Å; W206-E312 HydrophobicContact CG-CB 4.47Å; E312-Q314 PolarHBondContact OE2-NE2 3.1Å
313V97.7Very high96.8Very high2 Ų249.6 Ų49.61%0.01227%0.267CS..  trans-74.7123.7174.9-177.40000109.4V205 I207 L318 K319 L322V205-V313 HydrophobicContact CB-CB 4.41Å; V205-V313 HydrophobicContact CB-CG2 4.36Å; V205-V313 HydrophobicContact CG1-CG2 4.07Å; V205-V313 PolarHBondContact O-N 3.2Å; I207-V313 HydrophobicContact CD1-CG2 3.51Å; I207-V313 HydrophobicContact CG1-CG2 3.83Å; V313-L318 HydrophobicContact CG1-CB 4.26Å; V313-L318 HydrophobicContact CG1-CD2 3.89Å; V313-L318 HydrophobicContact CG1-CG 3.89Å; V313-K319 HydrophobicContact CG1-CB 4.08Å; V313-L322 HydrophobicContact CG2-CD1 3.96Å
314Q96.3Very high96.8Very high98 Ų9851.8 Ų51.846%0.45827%0.27SS..  trans-106.5-27.1-178.2-61.9-63.8-38.100112E12 E312 P316E12-Q314 PolarHBondContact OE1-N 3.01Å; E312-Q314 PolarHBondContact OE2-NE2 3.1Å; Q314-P316 VanDerWaalsContact O-CD 3.22Å; Q314-P316 WeakPolarHBondContact O-CD 3.26Å
315A96.9Very high96.7Very high21 Ų2147.7 Ų47.717%0.17425%0.251CS..  trans-62.8115.3175.200000111.1E12 A317 L318 K319E12-A315 PolarHBondContact OE1-N 3.49Å; A315-A317 PolarHBondContact O-N 3.27Å; A315-L318 HydrophobicContact CB-CB 3.89Å; A315-L318 PolarHBondContact O-N 3.27Å; A315-K319 WeakPolarHBondContact O-CB 3.48Å; A315-K319 PolarHBondContact O-N 3.21Å
316P96.8Very high96.6Very high106 Ų10647.1 Ų47.169%0.68825%0.25SS*.Hα-helixtrans-62.6-43.3-171.9-26.335.8000114.2Q314 K319 E320Q314-P316 VanDerWaalsContact O-CD 3.22Å; Q314-P316 WeakPolarHBondContact O-CD 3.26Å; P316-K319 PolarHBondContact O-N 2.79Å; P316-E320 PolarHBondContact O-N 3.21Å
317A97.2Very high96.6Very high71 Ų7147.5 Ų47.559%0.58724%0.242SC*.Hα-helixtrans-65.3-44-18000000111.6A315 E320 E321A315-A317 PolarHBondContact O-N 3.27Å; A317-E320 PolarHBondContact O-N 2.86Å; A317-E321 PolarHBondContact O-N 2.81Å
318L97.8Very high96.4Very high4 Ų449.5 Ų49.52%0.02126%0.259CS..Hα-helixtrans-62.6-44.4175.9175.458.4000111.6E12 V15 E16 L19 V313 A315 E320 E321 L322E12-L318 HydrophobicContact CB-CD2 3.63Å; E12-L318 HydrophobicContact CG-CD2 3.72Å; V15-L318 HydrophobicContact CB-CD1 4.38Å; V15-L318 HydrophobicContact CB-CD2 4.35Å; V15-L318 HydrophobicContact CG1-CD1 3.68Å; V15-L318 HydrophobicContact CG1-CD2 4.37Å; E16-L318 HydrophobicContact CG-CB 4.37Å; E16-L318 HydrophobicContact CG-CD1 4.02Å; E16-L318 HydrophobicContact CG-CD2 4.34Å; E16-L318 HydrophobicContact CG-CG 4.47Å; L19-L318 HydrophobicContact CD1-CD1 3.36Å; V313-L318 HydrophobicContact CG1-CB 4.26Å; V313-L318 HydrophobicContact CG1-CD2 3.89Å; V313-L318 HydrophobicContact CG1-CG 3.89Å; A315-L318 HydrophobicContact CB-CB 3.89Å; A315-L318 PolarHBondContact O-N 3.27Å; L318-E320 VanDerWaalsContact C-N 3.33Å; L318-E320 PolarHBondContact O-N 3.34Å; L318-E321 PolarHBondContact O-N 3.19Å; L318-L322 HydrophobicContact CD1-CD1 3.91Å; L318-L322 HydrophobicContact CD1-CD2 4.44Å; L318-L322 HydrophobicContact CD1-CG 3.91Å; L318-L322 HydrophobicContact CG-CD1 3.97Å; L318-L322 HydrophobicContact CG-CG 4.38Å; L318-L322 WeakPolarHBondContact O-CG 3.39Å; L318-L322 PolarHBondContact O-N 2.96Å
319K97.7Very high96.1Very high55 Ų5552 Ų5224%0.23928%0.275CS..Hα-helixtrans-57.5-46.1176.2179.7-178.11761790111.6K203 V205 V313 A315 P316 L322 L323K203-K319 WeakPolarHBondContact O-CE 3.33Å; K203-K319 PolarHBondContact O-NZ 2.72Å; V205-K319 HydrophobicContact CB-CG 4.4Å; V205-K319 HydrophobicContact CG2-CG 3.91Å; V313-K319 HydrophobicContact CG1-CB 4.08Å; A315-K319 WeakPolarHBondContact O-CB 3.48Å; A315-K319 PolarHBondContact O-N 3.21Å; P316-K319 PolarHBondContact O-N 2.79Å; K319-L322 PolarHBondContact O-N 2.9Å; K319-L323 HydrophobicContact CG-CD1 4.11Å; K319-L323 WeakPolarHBondContact O-CB 3.18Å; K319-L323 VanDerWaalsContact O-CG 3.27Å; K319-L323 WeakPolarHBondContact O-CG 3.19Å; K319-L323 PolarHBondContact O-N 2.97Å
320E97.5Very high96Very high146 Ų14653.2 Ų53.268%0.68228%0.283SS*.Hα-helixtrans-60.7-45.1178-175.4174.1-175.500111.7P316 A317 L318 L323 R324P316-E320 PolarHBondContact O-N 3.21Å; A317-E320 PolarHBondContact O-N 2.86Å; L318-E320 VanDerWaalsContact C-N 3.33Å; L318-E320 PolarHBondContact O-N 3.34Å; E320-L323 PolarHBondContact O-N 3.31Å; E320-R324 WeakPolarHBondContact O-CB 3.26Å; E320-R324 PolarHBondContact O-N 3.01Å
321E97.3Very high95.9Very high52 Ų5252.2 Ų52.224%0.24328%0.28CS..Hα-helixtrans-65.8-43.3178.9178.555.4-160.500112.4L19 A317 L318 L323 R324 Q325L19-E321 HydrophobicContact CD1-CG 3.93Å; L19-E321 HydrophobicContact CD2-CG 4.26Å; A317-E321 PolarHBondContact O-N 2.81Å; L318-E321 PolarHBondContact O-N 3.19Å; E321-L323 PolarHBondContact O-N 3.45Å; E321-R324 WeakPolarHBondContact O-CB 3Å; E321-R324 PolarHBondContact O-N 3.33Å; E321-R324 IonicContact OE1-CZ 3.34Å; E321-R324 IonicContact OE1-NE 3Å; E321-R324 IonicContact OE1-NH2 3.83Å; E321-R324 PolarHBondContact OE1-NH2 2.97Å; E321-R324 IonicContact OE2-CZ 2.82Å; E321-R324 IonicContact OE2-NE 3.73Å; E321-R324 PolarHBondContact OE2-NE 2.98Å; E321-R324 IonicContact OE2-NH2 2.73Å; E321-R324 PolarHBondContact OE2-NH2 3.08Å; E321-Q325 VanDerWaalsContact O-CG 3.26Å; E321-Q325 WeakPolarHBondContact O-CG 3.43Å; E321-Q325 PolarHBondContact O-N 2.99Å; E321-Q325 VanDerWaalsContact OE1-CG 3.32Å; E321-Q325 WeakPolarHBondContact OE1-CG 3.43Å; E321-Q325 PolarHBondContact OE1-NE2 3.37Å
322L97.6Very high95.9Very high0 Ų052.2 Ų52.20%028%0.28CS..Hα-helixtrans-64.2-39.6176.8-68.9174.7000112.3V15 L19 L195 L197 V205 I207 V313 L318 K319 Q325 S326V15-L322 HydrophobicContact CG1-CD1 4.44Å; V15-L322 HydrophobicContact CG1-CD2 4.14Å; L19-L322 HydrophobicContact CD1-CD2 3.92Å; L19-L322 HydrophobicContact CD1-CG 4.37Å; L19-L322 HydrophobicContact CD2-CD2 4.22Å; L19-L322 HydrophobicContact CG-CD2 4.49Å; L195-L322 HydrophobicContact CD2-CD2 3.82Å; L197-L322 HydrophobicContact CD1-CB 4.14Å; L197-L322 HydrophobicContact CD1-CD2 4.2Å; L197-L322 HydrophobicContact CD2-CD1 4.23Å; L197-L322 HydrophobicContact CD2-CD2 4.23Å; V205-L322 HydrophobicContact CG1-CB 4.17Å; V205-L322 HydrophobicContact CG1-CD1 4.08Å; I207-L322 HydrophobicContact CD1-CD1 4.14Å; V313-L322 HydrophobicContact CG2-CD1 3.96Å; L318-L322 HydrophobicContact CD1-CD1 3.91Å; L318-L322 HydrophobicContact CD1-CD2 4.44Å; L318-L322 HydrophobicContact CD1-CG 3.91Å; L318-L322 HydrophobicContact CG-CD1 3.97Å; L318-L322 HydrophobicContact CG-CG 4.38Å; L318-L322 WeakPolarHBondContact O-CG 3.39Å; L318-L322 PolarHBondContact O-N 2.96Å; K319-L322 PolarHBondContact O-N 2.9Å; L322-Q325 PolarHBondContact O-N 3.48Å; L322-S326 WeakPolarHBondContact O-CB 3.48Å; L322-S326 PolarHBondContact O-N 3.18Å; L322-S326 PolarHBondContact O-OG 3.48Å
323L96.7Very high95.9Very high18 Ų1851.4 Ų51.49%0.09428%0.279CS..Hα-helixtrans-61.2-46.3173.3-75.1166000111.1V199 K203 V205 K319 E320 E321 Q325 S326 Q327V199-L323 HydrophobicContact CG1-CD2 3.57Å; V199-L323 HydrophobicContact CG2-CD2 4.19Å; K203-L323 HydrophobicContact CB-CD1 3.74Å; K203-L323 HydrophobicContact CB-CD2 3.96Å; K203-L323 HydrophobicContact CD-CD1 4.37Å; V205-L323 HydrophobicContact CG2-CD1 4.25Å; V205-L323 HydrophobicContact CG2-CD2 3.57Å; V205-L323 HydrophobicContact CG2-CG 3.56Å; K319-L323 HydrophobicContact CG-CD1 4.11Å; K319-L323 WeakPolarHBondContact O-CB 3.18Å; K319-L323 VanDerWaalsContact O-CG 3.27Å; K319-L323 WeakPolarHBondContact O-CG 3.19Å; K319-L323 PolarHBondContact O-N 2.97Å; E320-L323 PolarHBondContact O-N 3.31Å; E321-L323 PolarHBondContact O-N 3.45Å; L323-Q325 VanDerWaalsContact C-N 3.35Å; L323-Q325 PolarHBondContact O-N 3.02Å; L323-S326 PolarHBondContact O-N 3.13Å; L323-S326 PolarHBondContact O-OG 2.9Å; L323-Q327 WeakPolarHBondContact O-CG 3.42Å; L323-Q327 PolarHBondContact O-N 2.83Å; L323-Q327 VanDerWaalsContact O-N 3.15Å
324R96.1Very high95.7Very high92 Ų9252.5 Ų52.535%0.34728%0.284SS..Hα-helixtrans-58.2-48.4178.2-170.4-169.968.475-5.9110.7E320 E321 S326 Q327 N328 T330E320-R324 WeakPolarHBondContact O-CB 3.26Å; E320-R324 PolarHBondContact O-N 3.01Å; E321-R324 WeakPolarHBondContact O-CB 3Å; E321-R324 PolarHBondContact O-N 3.33Å; E321-R324 IonicContact OE1-CZ 3.34Å; E321-R324 IonicContact OE1-NE 3Å; E321-R324 IonicContact OE1-NH2 3.83Å; E321-R324 PolarHBondContact OE1-NH2 2.97Å; E321-R324 IonicContact OE2-CZ 2.82Å; E321-R324 IonicContact OE2-NE 3.73Å; E321-R324 PolarHBondContact OE2-NE 2.98Å; E321-R324 IonicContact OE2-NH2 2.73Å; E321-R324 PolarHBondContact OE2-NH2 3.08Å; R324-S326 PolarHBondContact O-N 3.08Å; R324-Q327 PolarHBondContact O-N 2.51Å; R324-N328 CarbonylContact O-C 3.56Å; R324-N328 PolarHBondContact O-N 3.43Å; R324-T330 PolarHBondContact NH1-OG1 2.91Å; R324-T330 PolarHBondContact NH2-OG1 2.98Å; R324-T330 VanDerWaalsContact NH2-OG1 3.09Å
325Q95.4Very high95.5Very high8 Ų850.1 Ų50.14%0.03727%0.273CS..Hα-helixtrans-66-34.7179.2-66.4-77.66.500112.7L19 L275 E321 L322 L323 Q327 P329 T330L19-Q325 HydrophobicContact CD2-CG 4.33Å; L275-Q325 HydrophobicContact CD2-CB 3.64Å; E321-Q325 VanDerWaalsContact O-CG 3.26Å; E321-Q325 WeakPolarHBondContact O-CG 3.43Å; E321-Q325 PolarHBondContact O-N 2.99Å; E321-Q325 VanDerWaalsContact OE1-CG 3.32Å; E321-Q325 WeakPolarHBondContact OE1-CG 3.43Å; E321-Q325 PolarHBondContact OE1-NE2 3.37Å; L322-Q325 PolarHBondContact O-N 3.48Å; L323-Q325 VanDerWaalsContact C-N 3.35Å; L323-Q325 PolarHBondContact O-N 3.02Å; Q325-Q327 VanDerWaalsContact C-N 3.3Å; Q325-Q327 PolarHBondContact O-N 3.18Å; Q325-P329 VanDerWaalsContact O-CA 3.29Å; Q325-P329 WeakPolarHBondContact O-CA 3.35Å; Q325-P329 VanDerWaalsContact O-CG 3.27Å; Q325-P329 WeakPolarHBondContact O-CG 3.38Å; Q325-T330 PolarHBondContact NE2-OG1 3.24Å; Q325-T330 VanDerWaalsContact NE2-OG1 3.15Å; Q325-T330 PolarHBondContact OE1-OG1 3.28Å
326S93.6Very high95.2Very high29 Ų2951.1 Ų51.120%0.20328%0.279CS..Hα-helixtrans-67.9-29.117672.90000113.6L322 L323 R324L322-S326 WeakPolarHBondContact O-CB 3.48Å; L322-S326 PolarHBondContact O-N 3.18Å; L322-S326 PolarHBondContact O-OG 3.48Å; L323-S326 PolarHBondContact O-N 3.13Å; L323-S326 PolarHBondContact O-OG 2.9Å; R324-S326 PolarHBondContact O-N 3.08Å
327Q91.6Very high94.8Very high117 Ų11749.1 Ų49.155%0.54726%0.262SS..Hα-helixtrans-94.3-42-175.9-69.5175.2-4.100112.1L323 R324 Q325L323-Q327 WeakPolarHBondContact O-CG 3.42Å; L323-Q327 PolarHBondContact O-N 2.83Å; L323-Q327 VanDerWaalsContact O-N 3.15Å; R324-Q327 PolarHBondContact O-N 2.51Å; Q325-Q327 VanDerWaalsContact C-N 3.3Å; Q325-Q327 PolarHBondContact O-N 3.18Å
328N91.8Very high93.5Very high116 Ų11654 Ų5462%0.6227%0.266SS*.SBendtrans-135.680.4-179.9-66.8-64.5000109R324 T330R324-N328 CarbonylContact O-C 3.56Å; R324-N328 PolarHBondContact O-N 3.43Å; N328-T330 PolarHBondContact O-N 2.97Å
329P91.9Very high93.3Very high56 Ų5656.5 Ų56.536%0.36428%0.279SS..  trans-60123.1-176.7-19.828.7000111.7L252 Q325 L331L252-P329 HydrophobicContact CB-CB 4.34Å; L252-P329 HydrophobicContact CB-CG 4.17Å; L252-P329 HydrophobicContact CD1-CG 4.45Å; L252-P329 HydrophobicContact CD2-CG 4.42Å; Q325-P329 VanDerWaalsContact O-CA 3.29Å; Q325-P329 WeakPolarHBondContact O-CA 3.35Å; Q325-P329 VanDerWaalsContact O-CG 3.27Å; Q325-P329 WeakPolarHBondContact O-CG 3.38Å; P329-L331 HydrophobicContact CB-CD1 4.39Å; P329-L331 HydrophobicContact CB-CG 4.4Å
330T94.6Very high93Very high47 Ų4756.6 Ų56.629%0.28828%0.281SS..  trans-108.456.7173.151.50000109.1W176 H177 R324 Q325 N328W176-T330 VanDerWaalsContact O-CA 3.24Å; W176-T330 WeakPolarHBondContact O-CA 3.2Å; W176-T330 WeakPolarHBondContact O-CB 3.38Å; W176-T330 VanDerWaalsContact O-CG2 3.29Å; W176-T330 WeakPolarHBondContact O-CG2 3.28Å; H177-T330 WeakPolarHBondContact CB-O 3.48Å; R324-T330 PolarHBondContact NH1-OG1 2.91Å; R324-T330 PolarHBondContact NH2-OG1 2.98Å; R324-T330 VanDerWaalsContact NH2-OG1 3.09Å; Q325-T330 PolarHBondContact NE2-OG1 3.24Å; Q325-T330 VanDerWaalsContact NE2-OG1 3.15Å; Q325-T330 PolarHBondContact OE1-OG1 3.28Å; N328-T330 PolarHBondContact O-N 2.97Å
331L95.9Very high92.8Very high14 Ų1451.6 Ų51.67%0.07326%0.259CS..SBendtrans-120.1160.2-168.7-60178.7000112.3L252 L255 L275 P329 P333L252-L331 HydrophobicContact CB-CD1 4.24Å; L255-L331 HydrophobicContact CD2-CD2 3.54Å; L255-L331 HydrophobicContact CG-CD2 4.37Å; L275-L331 HydrophobicContact CB-CD1 3.63Å; L275-L331 HydrophobicContact CD2-CD1 3.7Å; L275-L331 HydrophobicContact CG-CD1 4.26Å; P329-L331 HydrophobicContact CB-CD1 4.39Å; P329-L331 HydrophobicContact CB-CG 4.4Å; L331-P333 VanDerWaalsContact O-CD 3.3Å; L331-P333 WeakPolarHBondContact O-CD 3.49Å
332L96.9Very high92.5Very high3 Ų351.6 Ų51.62%0.01626%0.259CS..BIsolated β-bridgetrans-67.3119.4173170.464.7000109.1L108 I111 V254L108-L332 HydrophobicContact CB-CD1 3.68Å; L108-L332 HydrophobicContact CB-CD2 3.72Å; L108-L332 HydrophobicContact CB-CG 4.39Å; L108-L332 HydrophobicContact CD1-CD2 3.84Å; L108-L332 HydrophobicContact CG-CD2 4.43Å; L108-L332 WeakPolarHBondContact O-CD1 3.41Å; I111-L332 HydrophobicContact CD1-CD2 3.52Å; I111-L332 HydrophobicContact CD1-CG 4.14Å; I111-L332 HydrophobicContact CG1-CD2 4.16Å; V254-L332 HydrophobicContact CB-CB 4.14Å; V254-L332 HydrophobicContact CB-CD2 4.23Å; V254-L332 HydrophobicContact CB-CG 4.29Å; V254-L332 HydrophobicContact CG1-CD2 4.3Å; V254-L332 PolarHBondContact N-O 2.89Å; V254-L332 WeakPolarHBondContact O-CB 3.43Å; V254-L332 PolarHBondContact O-N 3.23Å
333P95.8Very high92.2Very high24 Ų2454.8 Ų54.816%0.15628%0.276CS..  trans-69.6145.5179.426.2-35.5000112.1L109 L110 I111 Y167 W176 L331L109-P333 WeakPolarHBondContact O-CD 3.4Å; L109-P333 VanDerWaalsContact O-CG 3.25Å; L109-P333 WeakPolarHBondContact O-CG 3.41Å; L110-P333 HydrophobicContact CD1-CB 3.8Å; L110-P333 HydrophobicContact CD1-CG 3.78Å; I111-P333 PolarHBondContact N-O 3Å; Y167-P333 HydrophobicContact CE1-CG 3.91Å; W176-P333 HydrophobicContact CZ2-CG 4.39Å; L331-P333 VanDerWaalsContact O-CD 3.3Å; L331-P333 WeakPolarHBondContact O-CD 3.49Å
334I93.9Very high91.9Very high26 Ų2657.3 Ų57.313%0.13329%0.288CS..EExtended strand (participates in β ladder)trans-121.3133.5167.2-176.3166.6000108.6I111 E113 V228 T229 T251 V254 F272I111-I334 HydrophobicContact CB-CB 4.36Å; I111-I334 HydrophobicContact CB-CG1 4.17Å; I111-I334 HydrophobicContact CG2-CD1 4.14Å; I111-I334 HydrophobicContact CG2-CG1 4.07Å; I111-I334 CarbonylContact O-C 3.5Å; I111-I334 VanDerWaalsContact O-CA 3.3Å; I111-I334 WeakPolarHBondContact O-CA 3.4Å; E113-I334 HydrophobicContact CG-CD1 4.34Å; E113-I334 HydrophobicContact CG-CG1 4.35Å; V228-I334 HydrophobicContact CB-CD1 4.44Å; V228-I334 HydrophobicContact CG1-CD1 3.93Å; T229-I334 HydrophobicContact CG2-CB 4.49Å; T229-I334 HydrophobicContact CG2-CD1 4.07Å; T229-I334 HydrophobicContact CG2-CG1 4.11Å; T229-I334 HydrophobicContact CG2-CG2 3.62Å; T251-I334 HydrophobicContact CG2-CG2 4.25Å; V254-I334 HydrophobicContact CG2-CB 3.97Å; V254-I334 HydrophobicContact CG2-CG2 4.05Å; F272-I334 HydrophobicContact CD1-CD1 4.45Å; F272-I334 HydrophobicContact CE1-CD1 4.5Å
335Q92.9Very high91.6Very high47 Ų4754.8 Ų54.822%0.2228%0.284CS..EExtended strand (participates in β ladder)trans-125122.9-177.9-179.8-173.25.500110.5L110 I111 Q112 E113 R163 L337L110-Q335 HydrophobicContact CD1-CB 4.1Å; I111-Q335 PolarHBondContact O-N 3.07Å; Q112-Q335 CarbonylContact C-O 3.43Å; Q112-Q335 VanDerWaalsContact CA-O 3.29Å; Q112-Q335 WeakPolarHBondContact CA-O 3.2Å; Q112-Q335 HydrophobicContact CG-CB 4.14Å; Q112-Q335 VanDerWaalsContact NE2-OE1 3.08Å; E113-Q335 PolarHBondContact N-O 3.32Å; R163-Q335 VanDerWaalsContact NH1-NE2 3.16Å; Q335-L337 HydrophobicContact CG-CD2 4.24Å
336S90.6Very high91.3Very high42 Ų4258.4 Ų58.429%0.29430%0.302SS..EExtended strand (participates in β ladder)trans-80.1135.2169.9-140.70000110.9E113 A227 Y338E113-S336 WeakPolarHBondContact OE1-CA 3.29Å; E113-S336 VanDerWaalsContact OE1-CB 3.26Å; E113-S336 WeakPolarHBondContact OE1-CB 3.18Å; E113-S336 PolarHBondContact OE1-OG 3.13Å; A227-S336 WeakPolarHBondContact CB-OG 3.15Å; S336-Y338 WeakPolarHBondContact OG-CD2 3.23Å; S336-Y338 WeakPolarHBondContact OG-CE2 3.13Å
337L87.9Confident91.1Very high65 Ų6560.8 Ų60.834%0.3431%0.311SS..  trans-104.418.5-176.7-61-176.2000114.3Q112 E113 W118 Q335Q112-L337 HydrophobicContact CB-CD1 4.18Å; Q112-L337 HydrophobicContact CB-CG 4.38Å; Q112-L337 HydrophobicContact CG-CD2 4.36Å; E113-L337 PolarHBondContact O-N 2.95Å; W118-L337 HydrophobicContact CH2-CD1 4.21Å; W118-L337 HydrophobicContact CZ3-CD1 3.67Å; Q335-L337 HydrophobicContact CG-CD2 4.24Å
338Y69.4Low91Very high173 Ų17355.7 Ų55.768%0.67829%0.289SS*.  trans-65.20-177.7-67.5-92.9000114.5G115 H226 A227 S336G115-Y338 WeakPolarHBondContact CA-OH 3.42Å; G115-Y338 PolarHBondContact N-OH 3.22Å; H226-Y338 VanDerWaalsContact C-OH 3.31Å; H226-Y338 PolarHBondContact O-OH 3.28Å; H226-Y338 VanDerWaalsContact O-OH 3.1Å; A227-Y338 VanDerWaalsContact CA-CE2 3.5Å; A227-Y338 VanDerWaalsContact CA-OH 3.27Å; A227-Y338 WeakPolarHBondContact CA-OH 3.2Å; A227-Y338 HydrophobicContact CB-CD2 4.21Å; A227-Y338 HydrophobicContact CB-CE2 3.56Å; A227-Y338 PolarHBondContact N-OH 2.85Å; S336-Y338 WeakPolarHBondContact OG-CD2 3.23Å; S336-Y338 WeakPolarHBondContact OG-CE2 3.13Å

Retrieved 338 of 338 residues in 87.2 ms (Link to these results)

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