A0A087XPZ7_POEFO Loading...

Eukaryotic elongation factor 2 lysine methyltransferase

AlphaFold DB , UniProt , Accession A0A087XPZ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 320 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
1L33.4Very low63.5Low230 Ų230145.7 Ų145.7100%1.20471%0.711SS**  088.20-75.7155.8000106.3E3L1-E3 PolarHBondContact O-N 2.96Å
2S37.6Very low65.9Low112 Ų112133.8 Ų133.878%0.78365%0.653SS**  trans-72.7119.6177.351.80000108Q4S2-Q4 PolarHBondContact O-N 3.41Å
3E36.8Very low68.2Low189 Ų189125 Ų12588%0.88361%0.61SS**  trans-52.6107.7165.7-70.6173.315600108.2L1 K5L1-E3 PolarHBondContact O-N 2.96Å; E3-K5 PolarHBondContact O-N 3.32Å
4Q41.8Very low70Confident189 Ų189125.4 Ų125.488%0.88360%0.602SS**  trans-65.696.2162.1-83.7-179.5-10.700105.5S2 E6S2-Q4 PolarHBondContact O-N 3.41Å; Q4-E6 PolarHBondContact O-N 3.43Å
5K51.8Low71.6Confident192 Ų192120.2 Ų120.284%0.83558%0.579SS**  trans-53.6113.5173.6-163.7176.6-173.6179.80107.3E3 R7E3-K5 PolarHBondContact O-N 3.32Å; K5-R7 PolarHBondContact O-N 3.48Å; K5-R7 VanDerWaalsContact O-N 3.09Å
6E65.8Low73.2Confident188 Ų188112.7 Ų112.788%0.87954%0.542SS*.PPolyproline II helixtrans-50.3118.9176.4-103.6175.6171.700108.7Q4Q4-E6 PolarHBondContact O-N 3.43Å
7R77.1Confident74.6Confident115 Ų115109.7 Ų109.743%0.43452%0.524SS..PPolyproline II helixtrans-73.2131.3179.8-67.3-166.865.5-170.8-2.4108.6K5 I12 D15K5-R7 PolarHBondContact O-N 3.48Å; K5-R7 VanDerWaalsContact O-N 3.09Å; R7-I12 HydrophobicContact CB-CD1 4.17Å; R7-I12 HydrophobicContact CB-CG1 4.48Å; R7-D15 IonicContact CZ-OD2 2.69Å; R7-D15 IonicContact NH1-OD2 2.82Å; R7-D15 PolarHBondContact NH1-OD2 2.86Å; R7-D15 VanDerWaalsContact NH2-CG 3.27Å; R7-D15 IonicContact NH2-OD1 3.14Å; R7-D15 PolarHBondContact NH2-OD1 2.89Å; R7-D15 IonicContact NH2-OD2 2.71Å; R7-D15 PolarHBondContact NH2-OD2 3.42Å
8K85.8Confident75.8Confident131 Ų131104.8 Ų104.857%0.5751%0.505SS*.PPolyproline II helixtrans-71.9145.6178.5-64.7-178.7176.6-174.30110.3E10 D11 I12K8-E10 PolarHBondContact O-N 3.06Å; K8-E10 VanDerWaalsContact O-N 3.15Å; K8-D11 WeakPolarHBondContact O-CB 3.42Å; K8-D11 PolarHBondContact O-N 2.74Å; K8-I12 PolarHBondContact O-N 3.41Å
9P87.1Confident76.8Confident62 Ų62100 Ų10040%0.40348%0.483SS..Hα-helixtrans-51.5-37.5174.8-27.132.6000113.6D11 I12 L13 F33 F46P9-D11 VanDerWaalsContact C-N 3.34Å; P9-D11 PolarHBondContact O-N 3.14Å; P9-I12 WeakPolarHBondContact O-CB 3.36Å; P9-I12 PolarHBondContact O-N 3Å; P9-I12 VanDerWaalsContact O-N 3.15Å; P9-L13 WeakPolarHBondContact O-CG 3.28Å; P9-L13 PolarHBondContact O-N 3.42Å; P9-F33 HydrophobicContact CB-CE1 4.49Å; P9-F33 HydrophobicContact CB-CZ 4.3Å; P9-F33 HydrophobicContact CG-CZ 4.1Å; P9-F46 HydrophobicContact CB-CD2 4.39Å; P9-F46 HydrophobicContact CB-CE2 4.08Å
10E90.1Very high77.9Confident146 Ų14695 Ų9568%0.68246%0.459SS*.Hα-helixtrans-59.5-39.9176.9-64.4166.9-173.800113.1K8 I12 R14K8-E10 PolarHBondContact O-N 3.06Å; K8-E10 VanDerWaalsContact O-N 3.15Å; E10-I12 VanDerWaalsContact C-N 3.32Å; E10-R14 PolarHBondContact O-N 3.15Å; E10-R14 VanDerWaalsContact O-N 3.08Å
11D91.2Very high78.9Confident49 Ų4990.5 Ų90.526%0.26244%0.437SS..Hα-helixtrans-68.5-36177.4-70.8-50.5000110.9K8 P9 R14 D15K8-D11 WeakPolarHBondContact O-CB 3.42Å; K8-D11 PolarHBondContact O-N 2.74Å; P9-D11 VanDerWaalsContact C-N 3.34Å; P9-D11 PolarHBondContact O-N 3.14Å; D11-R14 PolarHBondContact O-N 3.49Å; D11-R14 IonicContact OD1-CZ 2.77Å; D11-R14 IonicContact OD1-NH1 2.88Å; D11-R14 IonicContact OD1-NH2 2.84Å; D11-R14 PolarHBondContact OD1-NH2 2.94Å; D11-D15 PolarHBondContact O-N 3.04Å
12I93Very high81.8Confident3 Ų379.8 Ų79.82%0.01538%0.382CS..Hα-helixtrans-69-43.7178-58.5-66.8000110.7R7 K8 P9 E10 R14 D15 F16 P30 F33 F46R7-I12 HydrophobicContact CB-CD1 4.17Å; R7-I12 HydrophobicContact CB-CG1 4.48Å; K8-I12 PolarHBondContact O-N 3.41Å; P9-I12 WeakPolarHBondContact O-CB 3.36Å; P9-I12 PolarHBondContact O-N 3Å; P9-I12 VanDerWaalsContact O-N 3.15Å; E10-I12 VanDerWaalsContact C-N 3.32Å; I12-R14 VanDerWaalsContact C-N 3.26Å; I12-R14 PolarHBondContact O-N 3.27Å; I12-D15 WeakPolarHBondContact O-CB 3.49Å; I12-D15 PolarHBondContact O-N 3.25Å; I12-D15 VanDerWaalsContact O-N 3.12Å; I12-F16 HydrophobicContact CG2-CD2 3.75Å; I12-F16 HydrophobicContact CG2-CE2 3.74Å; I12-F16 WeakPolarHBondContact O-CD2 3.32Å; I12-F16 PolarHBondContact O-N 2.92Å; I12-P30 HydrophobicContact CD1-CB 4.29Å; I12-P30 HydrophobicContact CG2-CB 4.27Å; I12-P30 HydrophobicContact CG2-CG 3.86Å; I12-F33 HydrophobicContact CB-CD1 4.04Å; I12-F33 HydrophobicContact CB-CE1 4.23Å; I12-F33 HydrophobicContact CB-CG 4.36Å; I12-F33 HydrophobicContact CD1-CB 4.18Å; I12-F33 HydrophobicContact CD1-CD2 4.07Å; I12-F33 HydrophobicContact CD1-CG 4.01Å; I12-F33 HydrophobicContact CG1-CB 4.36Å; I12-F33 HydrophobicContact CG1-CD1 3.83Å; I12-F33 HydrophobicContact CG1-CD2 3.8Å; I12-F33 HydrophobicContact CG1-CE1 4.01Å; I12-F33 HydrophobicContact CG1-CE2 3.99Å; I12-F33 HydrophobicContact CG1-CG 3.71Å; I12-F33 HydrophobicContact CG1-CZ 4.1Å; I12-F33 HydrophobicContact CG2-CB 4.19Å; I12-F33 HydrophobicContact CG2-CD1 3.65Å; I12-F33 HydrophobicContact CG2-CE1 4.27Å; I12-F33 HydrophobicContact CG2-CG 4.01Å; I12-F46 HydrophobicContact CG2-CZ 4.06Å
13L94.8Very high84.6Confident19 Ų1976.3 Ų76.310%0.09935%0.354CS..Hα-helixtrans-58.9-39.4174.1-71.6167.5000111.7P9 F16 R17 F46 E49 L50 Q53P9-L13 WeakPolarHBondContact O-CG 3.28Å; P9-L13 PolarHBondContact O-N 3.42Å; L13-F16 PolarHBondContact O-N 3.3Å; L13-R17 WeakPolarHBondContact O-CB 3.46Å; L13-R17 PolarHBondContact O-N 3.15Å; L13-F46 HydrophobicContact CD1-CE2 4.31Å; L13-F46 HydrophobicContact CD2-CD2 4.48Å; L13-F46 HydrophobicContact CD2-CE2 3.93Å; L13-F46 HydrophobicContact CD2-CZ 3.97Å; L13-F46 HydrophobicContact CG-CE2 3.83Å; L13-F46 HydrophobicContact CG-CZ 4.16Å; L13-E49 HydrophobicContact CD1-CB 4.32Å; L13-E49 HydrophobicContact CD1-CG 3.55Å; L13-E49 HydrophobicContact CD2-CB 4.44Å; L13-E49 HydrophobicContact CD2-CG 4.25Å; L13-L50 HydrophobicContact CD2-CB 3.77Å; L13-L50 HydrophobicContact CD2-CG 4.46Å; L13-Q53 HydrophobicContact CB-CG 4.34Å; L13-Q53 HydrophobicContact CD2-CG 4.5Å
14R94.1Very high87.3Confident130 Ų13069 Ų6949%0.49132%0.321SS..Hα-helixtrans-63.5-41.5174.1-173.6178.963.8-146.7-14.8112.1E10 D11 I12 R17 A18E10-R14 PolarHBondContact O-N 3.15Å; E10-R14 VanDerWaalsContact O-N 3.08Å; D11-R14 PolarHBondContact O-N 3.49Å; D11-R14 IonicContact OD1-CZ 2.77Å; D11-R14 IonicContact OD1-NH1 2.88Å; D11-R14 IonicContact OD1-NH2 2.84Å; D11-R14 PolarHBondContact OD1-NH2 2.94Å; I12-R14 VanDerWaalsContact C-N 3.26Å; I12-R14 PolarHBondContact O-N 3.27Å; R14-R17 PolarHBondContact O-N 3.43Å; R14-A18 WeakPolarHBondContact O-CB 3.36Å; R14-A18 PolarHBondContact O-N 2.84Å
15D94.3Very high89.7Confident48 Ų4870.3 Ų70.326%0.25732%0.318SS..Hα-helixtrans-64.5-42.9176.4-72.57.1000112R7 D11 I12 A18 S19 P30R7-D15 IonicContact CZ-OD2 2.69Å; R7-D15 IonicContact NH1-OD2 2.82Å; R7-D15 PolarHBondContact NH1-OD2 2.86Å; R7-D15 VanDerWaalsContact NH2-CG 3.27Å; R7-D15 IonicContact NH2-OD1 3.14Å; R7-D15 PolarHBondContact NH2-OD1 2.89Å; R7-D15 IonicContact NH2-OD2 2.71Å; R7-D15 PolarHBondContact NH2-OD2 3.42Å; D11-D15 PolarHBondContact O-N 3.04Å; I12-D15 WeakPolarHBondContact O-CB 3.49Å; I12-D15 PolarHBondContact O-N 3.25Å; I12-D15 VanDerWaalsContact O-N 3.12Å; D15-A18 PolarHBondContact O-N 2.77Å; D15-S19 VanDerWaalsContact O-CB 3.23Å; D15-S19 WeakPolarHBondContact O-CB 3.3Å; D15-S19 PolarHBondContact O-N 3.12Å; D15-S19 PolarHBondContact O-OG 3.16Å; D15-P30 HydrophobicContact CB-CG 4.06Å
16F96.3Very high91.7Very high0 Ų062.8 Ų62.80%029%0.286CS..Hα-helixtrans-58.4-49.3173.4-92.9-80.1000110.6I12 L13 S19 F20 F29 P30 W31 L34 L50 F73I12-F16 HydrophobicContact CG2-CD2 3.75Å; I12-F16 HydrophobicContact CG2-CE2 3.74Å; I12-F16 WeakPolarHBondContact O-CD2 3.32Å; I12-F16 PolarHBondContact O-N 2.92Å; L13-F16 PolarHBondContact O-N 3.3Å; F16-S19 PolarHBondContact O-N 2.88Å; F16-F20 WeakPolarHBondContact O-CB 3.22Å; F16-F20 PolarHBondContact O-N 2.99Å; F16-F29 AromaticContact CD1-CD1 3.41Å; F16-F29 HydrophobicContact CD1-CD1 3.41Å; F16-F29 VanDerWaalsContact CD1-CD1 3.41Å; F16-F29 HydrophobicContact CD1-CE1 4Å; F16-F29 HydrophobicContact CD1-CG 4.47Å; F16-F29 HydrophobicContact CE1-CB 4.11Å; F16-F29 AromaticContact CE1-CD1 3.64Å; F16-F29 HydrophobicContact CE1-CD1 3.64Å; F16-F29 HydrophobicContact CE1-CG 4.33Å; F16-F29 HydrophobicContact CG-CD1 4.25Å; F16-P30 HydrophobicContact CD2-CG 3.72Å; F16-P30 HydrophobicContact CE2-CG 3.54Å; F16-P30 HydrophobicContact CG-CG 4.48Å; F16-P30 HydrophobicContact CZ-CG 4.15Å; F16-W31 HydrophobicContact CE1-CD2 4.45Å; F16-W31 AromaticContact CE1-CE3 3.82Å; F16-W31 HydrophobicContact CE1-CE3 3.82Å; F16-W31 AromaticContact CE1-CH2 3.79Å; F16-W31 HydrophobicContact CE1-CH2 3.79Å; F16-W31 HydrophobicContact CE1-CZ2 4.41Å; F16-W31 AromaticContact CE1-CZ3 3.46Å; F16-W31 HydrophobicContact CE1-CZ3 3.46Å; F16-W31 VanDerWaalsContact CE1-CZ3 3.46Å; F16-W31 HydrophobicContact CZ-CD2 4.42Å; F16-W31 AromaticContact CZ-CE3 3.76Å; F16-W31 HydrophobicContact CZ-CE3 3.76Å; F16-W31 AromaticContact CZ-CZ3 3.85Å; F16-W31 HydrophobicContact CZ-CZ3 3.85Å; F16-L34 HydrophobicContact CZ-CB 4.33Å; F16-L34 HydrophobicContact CZ-CD2 4.48Å; F16-L50 HydrophobicContact CB-CG 4.5Å; F16-L50 HydrophobicContact CD1-CD1 3.75Å; F16-L50 HydrophobicContact CD1-CG 4.27Å; F16-L50 HydrophobicContact CD2-CD1 3.84Å; F16-L50 HydrophobicContact CE1-CD1 3.87Å; F16-L50 HydrophobicContact CE2-CD1 3.9Å; F16-L50 HydrophobicContact CG-CD1 3.79Å; F16-L50 HydrophobicContact CG-CG 4.24Å; F16-L50 HydrophobicContact CZ-CD1 3.95Å; F16-F73 HydrophobicContact CD1-CE2 4.16Å; F16-F73 HydrophobicContact CD1-CZ 4.24Å; F16-F73 HydrophobicContact CE1-CE2 4.46Å
17R97.1Very high92.9Very high62 Ų6258.6 Ų58.623%0.23428%0.284CS..Hα-helixtrans-58.3-53.1178.1180171.873.6-1655.8111.6L13 R14 S19 F20 F21 Q53 F113L13-R17 WeakPolarHBondContact O-CB 3.46Å; L13-R17 PolarHBondContact O-N 3.15Å; R14-R17 PolarHBondContact O-N 3.43Å; R17-S19 PolarHBondContact O-N 3.27Å; R17-F20 PolarHBondContact O-N 2.93Å; R17-F21 HydrophobicContact CG-CD2 3.82Å; R17-F21 HydrophobicContact CG-CE2 3.99Å; R17-F21 VanDerWaalsContact O-CD2 3.3Å; R17-F21 WeakPolarHBondContact O-CD2 3.4Å; R17-F21 PolarHBondContact O-N 3.44Å; R17-Q53 HydrophobicContact CB-CB 4.32Å; R17-Q53 WeakPolarHBondContact CB-O 3.32Å; R17-Q53 WeakPolarHBondContact CG-O 3.37Å; R17-F113 HydrophobicContact CG-CE2 3.73Å; R17-F113 HydrophobicContact CG-CZ 3.69Å
18A96.2Very high93.6Very high22 Ų2256.3 Ų56.318%0.18229%0.286CS..Hα-helixtrans-58-49.2-179.900000111.2R14 D15 F20 F21 S22R14-A18 WeakPolarHBondContact O-CB 3.36Å; R14-A18 PolarHBondContact O-N 2.84Å; D15-A18 PolarHBondContact O-N 2.77Å; A18-F20 VanDerWaalsContact C-N 3.35Å; A18-F20 PolarHBondContact O-N 3.49Å; A18-F21 PolarHBondContact O-N 3.06Å; A18-S22 WeakPolarHBondContact O-CB 3.3Å; A18-S22 PolarHBondContact O-N 2.84Å; A18-S22 PolarHBondContact O-OG 3.28Å
19S96.1Very high94Very high13 Ų1350.5 Ų50.59%0.09126%0.26CS..Hα-helixtrans-66.2-34.4-179.2-57.70000113.2D15 F16 R17 S22 M23 N24 F29D15-S19 VanDerWaalsContact O-CB 3.23Å; D15-S19 WeakPolarHBondContact O-CB 3.3Å; D15-S19 PolarHBondContact O-N 3.12Å; D15-S19 PolarHBondContact O-OG 3.16Å; F16-S19 PolarHBondContact O-N 2.88Å; R17-S19 PolarHBondContact O-N 3.27Å; S19-S22 PolarHBondContact O-OG 3.07Å; S19-M23 PolarHBondContact O-N 3.37Å; S19-N24 PolarHBondContact O-N 2.86Å; S19-F29 VanDerWaalsContact C-CZ 3.45Å; S19-F29 VanDerWaalsContact CB-CZ 3.47Å
20F97.9Very high94.2Very high0 Ų048.6 Ų48.60%025%0.248CC..Hα-helixtrans-67-49.7177.2174.5-96.1000111.1F16 R17 A18 S22 M23 F29 T54 C55 C60 P65 F69 R70 F73F16-F20 WeakPolarHBondContact O-CB 3.22Å; F16-F20 PolarHBondContact O-N 2.99Å; R17-F20 PolarHBondContact O-N 2.93Å; A18-F20 VanDerWaalsContact C-N 3.35Å; A18-F20 PolarHBondContact O-N 3.49Å; F20-S22 PolarHBondContact O-N 2.95Å; F20-M23 PolarHBondContact O-N 3.18Å; F20-M23 VanDerWaalsContact O-N 3.12Å; F20-F29 HydrophobicContact CB-CE1 4.27Å; F20-F29 HydrophobicContact CB-CZ 4.41Å; F20-T54 HydrophobicContact CB-CG2 3.78Å; F20-T54 HydrophobicContact CD1-CG2 4.18Å; F20-T54 HydrophobicContact CD2-CG2 4.28Å; F20-T54 HydrophobicContact CG-CG2 3.83Å; F20-C55 VanDerWaalsContact CE2-SG 3.54Å; F20-C55 HydrophobicContact CZ-CB 4.41Å; F20-C55 WeakPolarHBondContact CZ-SG 3.17Å; F20-C60 HydrophobicContact CE1-CB 4.49Å; F20-P65 HydrophobicContact CD1-CG 4.16Å; F20-P65 HydrophobicContact CE1-CG 3.73Å; F20-P65 HydrophobicContact CZ-CG 4.11Å; F20-F69 AromaticContact CD2-CE1 3.78Å; F20-F69 HydrophobicContact CD2-CE1 3.78Å; F20-F69 HydrophobicContact CE2-CD1 4.5Å; F20-F69 HydrophobicContact CE2-CE1 4.19Å; F20-F69 HydrophobicContact CG-CE1 4.37Å; F20-F69 WeakPolarHBondContact O-CE1 3.28Å; F20-R70 HydrophobicContact CE2-CG 4.21Å; F20-R70 HydrophobicContact CZ-CG 3.87Å; F20-F73 HydrophobicContact CD2-CB 4.46Å; F20-F73 AromaticContact CD2-CD1 3.62Å; F20-F73 HydrophobicContact CD2-CD1 3.62Å; F20-F73 HydrophobicContact CD2-CD2 4.07Å; F20-F73 AromaticContact CD2-CE1 3.75Å; F20-F73 HydrophobicContact CD2-CE1 3.75Å; F20-F73 HydrophobicContact CD2-CE2 4.2Å; F20-F73 AromaticContact CD2-CG 3.78Å; F20-F73 HydrophobicContact CD2-CG 3.78Å; F20-F73 HydrophobicContact CD2-CZ 4.04Å; F20-F73 HydrophobicContact CE2-CB 4.35Å; F20-F73 AromaticContact CE2-CD1 3.56Å; F20-F73 HydrophobicContact CE2-CD1 3.56Å; F20-F73 AromaticContact CE2-CE1 3.96Å; F20-F73 HydrophobicContact CE2-CE1 3.96Å; F20-F73 AromaticContact CE2-CG 3.95Å; F20-F73 HydrophobicContact CE2-CG 3.95Å
21F97.9Very high94.3Very high0 Ų042.4 Ų42.40%022%0.218CC..Hα-helixtrans-72-27.7-177.8-83-71000113.5R17 A18 M23 H57 L59 C60 P65 K110 S111 F113R17-F21 HydrophobicContact CG-CD2 3.82Å; R17-F21 HydrophobicContact CG-CE2 3.99Å; R17-F21 VanDerWaalsContact O-CD2 3.3Å; R17-F21 WeakPolarHBondContact O-CD2 3.4Å; R17-F21 PolarHBondContact O-N 3.44Å; A18-F21 PolarHBondContact O-N 3.06Å; F21-M23 VanDerWaalsContact C-N 3.28Å; F21-H57 HydrophobicContact CE2-CB 4.1Å; F21-H57 HydrophobicContact CZ-CB 3.91Å; F21-H57 AromaticContact CZ-ND1 3.78Å; F21-L59 HydrophobicContact CD1-CD2 3.91Å; F21-L59 HydrophobicContact CD1-CG 4.34Å; F21-L59 HydrophobicContact CD2-CD2 4.49Å; F21-L59 HydrophobicContact CE1-CB 3.85Å; F21-L59 HydrophobicContact CE1-CD2 3.84Å; F21-L59 HydrophobicContact CE1-CG 3.88Å; F21-L59 HydrophobicContact CE2-CD2 4.44Å; F21-L59 HydrophobicContact CG-CD2 4.25Å; F21-L59 HydrophobicContact CZ-CB 3.77Å; F21-L59 HydrophobicContact CZ-CD2 4.12Å; F21-L59 HydrophobicContact CZ-CG 4.25Å; F21-C60 HydrophobicContact CE1-CB 3.88Å; F21-C60 HydrophobicContact CZ-CB 3.8Å; F21-P65 HydrophobicContact CD1-CG 4.25Å; F21-K110 CarbonylContact O-C 3.59Å; F21-K110 VanDerWaalsContact O-CA 3.28Å; F21-K110 WeakPolarHBondContact O-CA 3.47Å; F21-S111 CarbonylContact C-O 3.25Å; F21-S111 WeakPolarHBondContact CB-O 3.46Å; F21-S111 PolarHBondContact O-N 2.81Å; F21-F113 HydrophobicContact CB-CE2 3.95Å; F21-F113 AromaticContact CD2-CE2 3.63Å; F21-F113 HydrophobicContact CD2-CE2 3.63Å; F21-F113 AromaticContact CD2-CZ 3.71Å; F21-F113 HydrophobicContact CD2-CZ 3.71Å; F21-F113 HydrophobicContact CE2-CE2 4.47Å; F21-F113 HydrophobicContact CE2-CZ 4.12Å; F21-F113 AromaticContact CG-CE2 3.99Å; F21-F113 HydrophobicContact CG-CE2 3.99Å; F21-F113 HydrophobicContact CG-CZ 4.26Å
22S96Very high94.3Very high6 Ų645 Ų454%0.04224%0.236CC..THydrogen-bonded Turntrans-83.8-1.5171.3660000113.6A18 S19 F20 N24 K110 P306A18-S22 WeakPolarHBondContact O-CB 3.3Å; A18-S22 PolarHBondContact O-N 2.84Å; A18-S22 PolarHBondContact O-OG 3.28Å; S19-S22 PolarHBondContact O-OG 3.07Å; F20-S22 PolarHBondContact O-N 2.95Å; S22-N24 VanDerWaalsContact C-N 3.33Å; S22-N24 PolarHBondContact O-N 2.85Å; S22-N24 PolarHBondContact OG-OD1 3.37Å; S22-K110 WeakPolarHBondContact O-CD 3.48Å; S22-P306 WeakPolarHBondContact OG-CG 3.35Å
23M95.9Very high94.1Very high39 Ų3946.7 Ų46.719%0.19224%0.243CC..THydrogen-bonded Turntrans54.743.4-177-63.8176.849.900113.7S19 F20 F21 P65 S66 F69 K110S19-M23 PolarHBondContact O-N 3.37Å; F20-M23 PolarHBondContact O-N 3.18Å; F20-M23 VanDerWaalsContact O-N 3.12Å; F21-M23 VanDerWaalsContact C-N 3.28Å; M23-P65 HydrophobicContact CG-CB 3.79Å; M23-P65 HydrophobicContact SD-CB 4.02Å; M23-S66 VanDerWaalsContact CE-OG 3.26Å; M23-S66 WeakPolarHBondContact CE-OG 3.5Å; M23-F69 HydrophobicContact CB-CD1 4.41Å; M23-F69 HydrophobicContact CB-CD2 4.34Å; M23-F69 HydrophobicContact CB-CE1 4.48Å; M23-F69 HydrophobicContact CB-CE2 4.42Å; M23-F69 HydrophobicContact CB-CG 4.34Å; M23-F69 HydrophobicContact CB-CZ 4.48Å; M23-F69 HydrophobicContact CE-CB 3.87Å; M23-F69 HydrophobicContact CE-CG 4.25Å; M23-F69 HydrophobicContact CG-CD1 3.9Å; M23-F69 HydrophobicContact CG-CE1 4.25Å; M23-F69 HydrophobicContact CG-CG 4.07Å; M23-K110 HydrophobicContact CB-CG 4.47Å; M23-K110 HydrophobicContact CG-CG 4.24Å; M23-K110 HydrophobicContact SD-CG 4Å
24N93.5Very high93.8Very high35 Ų3545.8 Ų45.819%0.18724%0.239CC..  trans-62.5158.5175.9-84.835.9000111.8S19 S22 L26 F29 F69S19-N24 PolarHBondContact O-N 2.86Å; S22-N24 VanDerWaalsContact C-N 3.33Å; S22-N24 PolarHBondContact O-N 2.85Å; S22-N24 PolarHBondContact OG-OD1 3.37Å; N24-L26 PolarHBondContact O-N 2.79Å; N24-F29 HydrophobicContact CB-CE2 4.25Å; N24-F69 VanDerWaalsContact O-CE2 3.24Å; N24-F69 WeakPolarHBondContact O-CE2 3.31Å
25R92.3Very high93.6Very high217 Ų21742 Ų4282%0.81923%0.228SC*.  trans-58.2132.2174.8-65.4-178.4-178.4177.82.6109.2A27 S28 F29R25-A27 PolarHBondContact O-N 3.14Å; R25-A27 VanDerWaalsContact O-N 3.09Å; R25-S28 WeakPolarHBondContact O-CB 3.29Å; R25-S28 PolarHBondContact O-N 2.82Å; R25-S28 PolarHBondContact O-OG 2.8Å; R25-F29 WeakPolarHBondContact O-CD2 3.48Å
26L92.9Very high93.3Very high34 Ų3444.7 Ų44.718%0.17824%0.242CC..G310 helixtrans-51.5-39.7179.8-68-179.9000111.8N24 S28 F29 W31 F69 I72 F73 E76N24-L26 PolarHBondContact O-N 2.79Å; L26-S28 PolarHBondContact O-N 3.12Å; L26-F29 HydrophobicContact CD2-CD2 4.49Å; L26-F29 HydrophobicContact CD2-CE2 4.16Å; L26-F29 WeakPolarHBondContact O-CB 3.26Å; L26-F29 WeakPolarHBondContact O-CD2 3.48Å; L26-F29 PolarHBondContact O-N 3.27Å; L26-F29 VanDerWaalsContact O-N 3.07Å; L26-W31 HydrophobicContact CD2-CZ2 4.26Å; L26-W31 PolarHBondContact O-NE1 3.16Å; L26-F69 HydrophobicContact CD2-CE2 4.18Å; L26-F69 HydrophobicContact CD2-CZ 4.34Å; L26-I72 HydrophobicContact CD1-CB 4.12Å; L26-I72 HydrophobicContact CD1-CD1 3.86Å; L26-I72 HydrophobicContact CD1-CG1 3.89Å; L26-I72 HydrophobicContact CG-CD1 4.29Å; L26-F73 HydrophobicContact CD2-CB 4.18Å; L26-F73 HydrophobicContact CD2-CD2 3.85Å; L26-E76 HydrophobicContact CD1-CB 4.38Å
27A91.5Very high92.7Very high99 Ų9947 Ų4782%0.81825%0.253SS*.G310 helixtrans-58.6-17.8178.200000115.4R25R25-A27 PolarHBondContact O-N 3.14Å; R25-A27 VanDerWaalsContact O-N 3.09Å
28S91Very high92.1Very high68 Ų6844.4 Ų44.448%0.47624%0.244SC..G310 helixtrans-88.5-8.1179.267.90000114.4R25 L26R25-S28 WeakPolarHBondContact O-CB 3.29Å; R25-S28 PolarHBondContact O-N 2.82Å; R25-S28 PolarHBondContact O-OG 2.8Å; L26-S28 PolarHBondContact O-N 3.12Å
29F94.2Very high91.4Very high9 Ų950.7 Ų50.74%0.03927%0.27CS..SBendtrans-71.8154.6179.6-76.5-111.7000111F16 S19 F20 N24 R25 L26 W31 F69 F73F16-F29 AromaticContact CD1-CD1 3.41Å; F16-F29 HydrophobicContact CD1-CD1 3.41Å; F16-F29 VanDerWaalsContact CD1-CD1 3.41Å; F16-F29 HydrophobicContact CD1-CE1 4Å; F16-F29 HydrophobicContact CD1-CG 4.47Å; F16-F29 HydrophobicContact CE1-CB 4.11Å; F16-F29 AromaticContact CE1-CD1 3.64Å; F16-F29 HydrophobicContact CE1-CD1 3.64Å; F16-F29 HydrophobicContact CE1-CG 4.33Å; F16-F29 HydrophobicContact CG-CD1 4.25Å; S19-F29 VanDerWaalsContact C-CZ 3.45Å; S19-F29 VanDerWaalsContact CB-CZ 3.47Å; F20-F29 HydrophobicContact CB-CE1 4.27Å; F20-F29 HydrophobicContact CB-CZ 4.41Å; N24-F29 HydrophobicContact CB-CE2 4.25Å; R25-F29 WeakPolarHBondContact O-CD2 3.48Å; L26-F29 HydrophobicContact CD2-CD2 4.49Å; L26-F29 HydrophobicContact CD2-CE2 4.16Å; L26-F29 WeakPolarHBondContact O-CB 3.26Å; L26-F29 WeakPolarHBondContact O-CD2 3.48Å; L26-F29 PolarHBondContact O-N 3.27Å; L26-F29 VanDerWaalsContact O-N 3.07Å; F29-W31 HydrophobicContact CB-CD2 4.05Å; F29-W31 HydrophobicContact CB-CG 4.29Å; F29-W31 HydrophobicContact CB-CZ2 3.82Å; F29-W31 HydrophobicContact CD1-CZ2 4.44Å; F29-W31 HydrophobicContact CG-CZ2 4.03Å; F29-W31 PolarHBondContact O-N 3.4Å; F29-F69 HydrophobicContact CE2-CZ 4.31Å; F29-F69 HydrophobicContact CZ-CZ 4.03Å; F29-F73 HydrophobicContact CD1-CE2 4.08Å; F29-F73 HydrophobicContact CE1-CD2 4.17Å; F29-F73 AromaticContact CE1-CE2 3.62Å; F29-F73 HydrophobicContact CE1-CE2 3.62Å; F29-F73 HydrophobicContact CZ-CD2 4.3Å; F29-F73 HydrophobicContact CZ-CE2 4.21Å
30P92.1Very high90.4Very high22 Ų2252.1 Ų52.114%0.14328%0.279CS..  trans-7755.1-179.132-33.8000112.1I12 D15 F16 T32 F33I12-P30 HydrophobicContact CD1-CB 4.29Å; I12-P30 HydrophobicContact CG2-CB 4.27Å; I12-P30 HydrophobicContact CG2-CG 3.86Å; D15-P30 HydrophobicContact CB-CG 4.06Å; F16-P30 HydrophobicContact CD2-CG 3.72Å; F16-P30 HydrophobicContact CE2-CG 3.54Å; F16-P30 HydrophobicContact CG-CG 4.48Å; F16-P30 HydrophobicContact CZ-CG 4.15Å; P30-T32 VanDerWaalsContact C-N 3.29Å; P30-T32 PolarHBondContact O-N 3.25Å; P30-F33 PolarHBondContact O-N 3.39Å
31W92.6Very high88.8Confident15 Ų1560.5 Ų60.56%0.05733%0.325CS..Hα-helixtrans-62-33.2-176.7-67.1123.5000114F16 L26 F29 F33 L34 D35 F73 E76 L77F16-W31 HydrophobicContact CE1-CD2 4.45Å; F16-W31 AromaticContact CE1-CE3 3.82Å; F16-W31 HydrophobicContact CE1-CE3 3.82Å; F16-W31 AromaticContact CE1-CH2 3.79Å; F16-W31 HydrophobicContact CE1-CH2 3.79Å; F16-W31 HydrophobicContact CE1-CZ2 4.41Å; F16-W31 AromaticContact CE1-CZ3 3.46Å; F16-W31 HydrophobicContact CE1-CZ3 3.46Å; F16-W31 VanDerWaalsContact CE1-CZ3 3.46Å; F16-W31 HydrophobicContact CZ-CD2 4.42Å; F16-W31 AromaticContact CZ-CE3 3.76Å; F16-W31 HydrophobicContact CZ-CE3 3.76Å; F16-W31 AromaticContact CZ-CZ3 3.85Å; F16-W31 HydrophobicContact CZ-CZ3 3.85Å; L26-W31 HydrophobicContact CD2-CZ2 4.26Å; L26-W31 PolarHBondContact O-NE1 3.16Å; F29-W31 HydrophobicContact CB-CD2 4.05Å; F29-W31 HydrophobicContact CB-CG 4.29Å; F29-W31 HydrophobicContact CB-CZ2 3.82Å; F29-W31 HydrophobicContact CD1-CZ2 4.44Å; F29-W31 HydrophobicContact CG-CZ2 4.03Å; F29-W31 PolarHBondContact O-N 3.4Å; W31-F33 PolarHBondContact O-N 2.88Å; W31-L34 HydrophobicContact CE3-CD2 3.79Å; W31-L34 HydrophobicContact CZ3-CD2 3.83Å; W31-L34 CarbonylContact O-C 3.55Å; W31-L34 WeakPolarHBondContact O-CA 3.37Å; W31-L34 WeakPolarHBondContact O-CB 3.35Å; W31-L34 PolarHBondContact O-N 2.88Å; W31-D35 PolarHBondContact O-N 2.79Å; W31-F73 HydrophobicContact CH2-CD2 4.24Å; W31-F73 AromaticContact CH2-CE2 3.95Å; W31-F73 HydrophobicContact CH2-CE2 3.95Å; W31-E76 HydrophobicContact CH2-CG 4.07Å; W31-E76 HydrophobicContact CZ2-CG 3.93Å; W31-L77 HydrophobicContact CH2-CD2 4.27Å; W31-L77 HydrophobicContact CZ3-CD2 3.76Å; W31-L77 HydrophobicContact CZ3-CG 4.47Å
32T91Very high87.1Confident104 Ų10467.4 Ų67.464%0.63835%0.354SS*.Hα-helixtrans-60.4-35.1179.750.20000112.2P30 N36P30-T32 VanDerWaalsContact C-N 3.29Å; P30-T32 PolarHBondContact O-N 3.25Å; T32-N36 PolarHBondContact O-N 3.03Å; T32-N36 PolarHBondContact O-ND2 3.31Å
33F89.2Confident85.9Confident38 Ų3868.1 Ų68.117%0.16736%0.359CS..Hα-helixtrans-66.3-46.7173.3-174.6-86000110.6P9 I12 P30 W31 D35 N36 E37 F46P9-F33 HydrophobicContact CB-CE1 4.49Å; P9-F33 HydrophobicContact CB-CZ 4.3Å; P9-F33 HydrophobicContact CG-CZ 4.1Å; I12-F33 HydrophobicContact CB-CD1 4.04Å; I12-F33 HydrophobicContact CB-CE1 4.23Å; I12-F33 HydrophobicContact CB-CG 4.36Å; I12-F33 HydrophobicContact CD1-CB 4.18Å; I12-F33 HydrophobicContact CD1-CD2 4.07Å; I12-F33 HydrophobicContact CD1-CG 4.01Å; I12-F33 HydrophobicContact CG1-CB 4.36Å; I12-F33 HydrophobicContact CG1-CD1 3.83Å; I12-F33 HydrophobicContact CG1-CD2 3.8Å; I12-F33 HydrophobicContact CG1-CE1 4.01Å; I12-F33 HydrophobicContact CG1-CE2 3.99Å; I12-F33 HydrophobicContact CG1-CG 3.71Å; I12-F33 HydrophobicContact CG1-CZ 4.1Å; I12-F33 HydrophobicContact CG2-CB 4.19Å; I12-F33 HydrophobicContact CG2-CD1 3.65Å; I12-F33 HydrophobicContact CG2-CE1 4.27Å; I12-F33 HydrophobicContact CG2-CG 4.01Å; P30-F33 PolarHBondContact O-N 3.39Å; W31-F33 PolarHBondContact O-N 2.88Å; F33-D35 VanDerWaalsContact C-N 3.35Å; F33-D35 PolarHBondContact O-N 3.25Å; F33-N36 PolarHBondContact O-N 3.37Å; F33-E37 HydrophobicContact CD1-CG 3.87Å; F33-E37 HydrophobicContact CE1-CG 3.45Å; F33-E37 VanDerWaalsContact CE1-CG 3.45Å; F33-E37 HydrophobicContact CZ-CG 4.02Å; F33-E37 PolarHBondContact O-N 3.37Å; F33-F46 HydrophobicContact CD1-CE2 4.48Å; F33-F46 HydrophobicContact CD1-CZ 4.06Å; F33-F46 AromaticContact CE1-CE2 3.89Å; F33-F46 HydrophobicContact CE1-CE2 3.89Å; F33-F46 AromaticContact CE1-CZ 3.93Å; F33-F46 HydrophobicContact CE1-CZ 3.93Å
34L88.4Confident85.2Confident1 Ų169.4 Ų69.41%0.00537%0.372CS..Hα-helixtrans-59.8-46178178.365000111.4F16 W31 N36 E37 L38 F46 I47 L77F16-L34 HydrophobicContact CZ-CB 4.33Å; F16-L34 HydrophobicContact CZ-CD2 4.48Å; W31-L34 HydrophobicContact CE3-CD2 3.79Å; W31-L34 HydrophobicContact CZ3-CD2 3.83Å; W31-L34 CarbonylContact O-C 3.55Å; W31-L34 WeakPolarHBondContact O-CA 3.37Å; W31-L34 WeakPolarHBondContact O-CB 3.35Å; W31-L34 PolarHBondContact O-N 2.88Å; L34-N36 VanDerWaalsContact C-N 3.26Å; L34-N36 PolarHBondContact O-N 2.9Å; L34-E37 PolarHBondContact O-N 2.95Å; L34-E37 VanDerWaalsContact O-N 3.14Å; L34-L38 HydrophobicContact CD1-CD2 4.44Å; L34-L38 HydrophobicContact CD1-CG 4.17Å; L34-L38 HydrophobicContact CG-CD1 4.12Å; L34-L38 HydrophobicContact CG-CG 4.21Å; L34-L38 WeakPolarHBondContact O-CB 3.47Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.5Å; L34-L38 PolarHBondContact O-N 3.36Å; L34-F46 HydrophobicContact CD1-CD1 3.53Å; L34-F46 HydrophobicContact CD1-CE1 3.59Å; L34-I47 HydrophobicContact CD1-CD1 3.49Å; L34-I47 VanDerWaalsContact CD1-CD1 3.49Å; L34-I47 HydrophobicContact CD1-CG1 4.33Å; L34-I47 HydrophobicContact CD2-CD1 4.11Å; L34-I47 HydrophobicContact CG-CD1 4.35Å; L34-L77 HydrophobicContact CD2-CD2 3.76Å
35D89.4Confident84.9Confident51 Ų5174.8 Ų74.827%0.27340%0.396SS..Hα-helixtrans-60.2-37.4-179.8-63.5-24000111.7W31 F33 Q39 R80W31-D35 PolarHBondContact O-N 2.79Å; F33-D35 VanDerWaalsContact C-N 3.35Å; F33-D35 PolarHBondContact O-N 3.25Å; D35-Q39 WeakPolarHBondContact O-CG 3.42Å; D35-Q39 PolarHBondContact O-N 3.13Å; D35-R80 IonicContact OD1-CZ 3.22Å; D35-R80 IonicContact OD1-NH1 3.85Å; D35-R80 PolarHBondContact OD1-NH1 3.29Å; D35-R80 IonicContact OD2-CZ 3.83Å; D35-R80 IonicContact OD2-NH1 3.5Å; D35-R80 PolarHBondContact OD2-NH1 3Å
36N87.3Confident84.8Confident103 Ų10365.2 Ų65.255%0.55136%0.361SS*.Hα-helixtrans-69-42.2174.9-67.9-20.1000112.1T32 F33 L34 L38 Q39 S40T32-N36 PolarHBondContact O-N 3.03Å; T32-N36 PolarHBondContact O-ND2 3.31Å; F33-N36 PolarHBondContact O-N 3.37Å; L34-N36 VanDerWaalsContact C-N 3.26Å; L34-N36 PolarHBondContact O-N 2.9Å; N36-L38 VanDerWaalsContact C-N 3.31Å; N36-L38 PolarHBondContact O-N 3.14Å; N36-Q39 PolarHBondContact O-N 3.11Å; N36-S40 PolarHBondContact O-N 3.21Å
37E85Confident84.7Confident49 Ų4963.6 Ų63.623%0.22935%0.352CS..Hα-helixtrans-64.3-36.7175.5-72.9-64.5129.500111.7F33 L34 Q39 S40F33-E37 HydrophobicContact CD1-CG 3.87Å; F33-E37 HydrophobicContact CE1-CG 3.45Å; F33-E37 VanDerWaalsContact CE1-CG 3.45Å; F33-E37 HydrophobicContact CZ-CG 4.02Å; F33-E37 PolarHBondContact O-N 3.37Å; L34-E37 PolarHBondContact O-N 2.95Å; L34-E37 VanDerWaalsContact O-N 3.14Å; E37-Q39 VanDerWaalsContact C-N 3.26Å; E37-Q39 PolarHBondContact O-N 2.98Å; E37-S40 WeakPolarHBondContact O-CA 3.45Å; E37-S40 WeakPolarHBondContact O-CB 3.22Å; E37-S40 PolarHBondContact O-N 3.42Å; E37-S40 PolarHBondContact O-OG 3.47Å
38L84.8Confident84.8Confident7 Ų759.8 Ų59.84%0.03732%0.319CS..Hα-helixtrans-63.9-30.2176.4-72.1179.2000112.8L34 N36 S40 I47 R80 Q81 A84L34-L38 HydrophobicContact CD1-CD2 4.44Å; L34-L38 HydrophobicContact CD1-CG 4.17Å; L34-L38 HydrophobicContact CG-CD1 4.12Å; L34-L38 HydrophobicContact CG-CG 4.21Å; L34-L38 WeakPolarHBondContact O-CB 3.47Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.5Å; L34-L38 PolarHBondContact O-N 3.36Å; N36-L38 VanDerWaalsContact C-N 3.31Å; N36-L38 PolarHBondContact O-N 3.14Å; L38-S40 PolarHBondContact O-N 3.02Å; L38-I47 HydrophobicContact CD2-CD1 4.22Å; L38-I47 HydrophobicContact CD2-CG1 4.05Å; L38-R80 HydrophobicContact CD1-CB 4.12Å; L38-Q81 HydrophobicContact CD1-CG 4.27Å; L38-Q81 HydrophobicContact CD2-CG 3.73Å; L38-A84 HydrophobicContact CB-CB 3.89Å; L38-A84 HydrophobicContact CD1-CB 4.32Å
39Q80.3Confident84.9Confident155 Ų15559.6 Ų59.672%0.72431%0.311SS*.THydrogen-bonded Turntrans-76.8-11.6173.7-68.4174.79.800112.9D35 N36 E37D35-Q39 WeakPolarHBondContact O-CG 3.42Å; D35-Q39 PolarHBondContact O-N 3.13Å; N36-Q39 PolarHBondContact O-N 3.11Å; E37-Q39 VanDerWaalsContact C-N 3.26Å; E37-Q39 PolarHBondContact O-N 2.98Å
40S75.2Confident85Confident42 Ų4259.1 Ų59.129%0.29431%0.309SS..THydrogen-bonded Turntrans-95.3153.1176.687.30000111N36 E37 L38 K42 S43N36-S40 PolarHBondContact O-N 3.21Å; E37-S40 WeakPolarHBondContact O-CA 3.45Å; E37-S40 WeakPolarHBondContact O-CB 3.22Å; E37-S40 PolarHBondContact O-N 3.42Å; E37-S40 PolarHBondContact O-OG 3.47Å; L38-S40 PolarHBondContact O-N 3.02Å; S40-K42 PolarHBondContact O-N 2.8Å; S40-S43 PolarHBondContact O-N 3.08Å
41N63.6Low85.2Confident177 Ų17758.1 Ų58.195%0.94730%0.302SS*.THydrogen-bonded Turntrans-65.915179.1-75.7-15.6000115.1
42K63.2Low85.4Confident144 Ų14462.3 Ų62.363%0.62632%0.321SS*.THydrogen-bonded Turntrans-118.716.3-179.5-65.2-172.8178-176.30113.8S40 S44S40-K42 PolarHBondContact O-N 2.8Å; K42-S44 PolarHBondContact O-N 2.64Å
43S71.6Confident85.6Confident21 Ų2159.1 Ų59.115%0.14730%0.299CS..Hα-helixtrans-59.6-38.7-172.157.80000115.2S40 I47S40-S43 PolarHBondContact O-N 3.08Å; S43-I47 VanDerWaalsContact O-CG1 3.3Å; S43-I47 WeakPolarHBondContact O-CG1 3.33Å; S43-I47 PolarHBondContact O-N 2.85Å
44S80.5Confident86Confident66 Ų6657.3 Ų57.346%0.46229%0.291SS..Hα-helixtrans-71.2-41.1-174.9530000113.9K42 I47 S48K42-S44 PolarHBondContact O-N 2.64Å; S44-I47 PolarHBondContact O-N 3.14Å; S44-S48 PolarHBondContact O-N 3.3Å
45E87.3Confident86.4Confident149 Ų14958.1 Ų58.170%0.69630%0.296SS*.Hα-helixtrans-64.8-42.9-179.8-174.1175.9-163.800111.1S48 E49E45-S48 PolarHBondContact O-N 2.96Å; E45-E49 PolarHBondContact O-N 3.44Å
46F89.7Confident86.8Confident16 Ų1659.5 Ų59.57%0.0730%0.303CS..Hα-helixtrans-64.7-42.2178.4-174.9-94.6000112.3P9 I12 L13 F33 L34 E49 L50P9-F46 HydrophobicContact CB-CD2 4.39Å; P9-F46 HydrophobicContact CB-CE2 4.08Å; I12-F46 HydrophobicContact CG2-CZ 4.06Å; L13-F46 HydrophobicContact CD1-CE2 4.31Å; L13-F46 HydrophobicContact CD2-CD2 4.48Å; L13-F46 HydrophobicContact CD2-CE2 3.93Å; L13-F46 HydrophobicContact CD2-CZ 3.97Å; L13-F46 HydrophobicContact CG-CE2 3.83Å; L13-F46 HydrophobicContact CG-CZ 4.16Å; F33-F46 HydrophobicContact CD1-CE2 4.48Å; F33-F46 HydrophobicContact CD1-CZ 4.06Å; F33-F46 AromaticContact CE1-CE2 3.89Å; F33-F46 HydrophobicContact CE1-CE2 3.89Å; F33-F46 AromaticContact CE1-CZ 3.93Å; F33-F46 HydrophobicContact CE1-CZ 3.93Å; L34-F46 HydrophobicContact CD1-CD1 3.53Å; L34-F46 HydrophobicContact CD1-CE1 3.59Å; F46-E49 PolarHBondContact O-N 3.47Å; F46-L50 HydrophobicContact CE1-CD1 3.98Å; F46-L50 WeakPolarHBondContact O-CB 3.26Å; F46-L50 PolarHBondContact O-N 3.28Å
47I91.4Very high87.3Confident0 Ų056.4 Ų56.40%029%0.286CS..Hα-helixtrans-64.5-43.7177.3-68.3-73.1000111.3L34 L38 S43 S44 E49 L50 L51 L77 Q81 L89 L92L34-I47 HydrophobicContact CD1-CD1 3.49Å; L34-I47 VanDerWaalsContact CD1-CD1 3.49Å; L34-I47 HydrophobicContact CD1-CG1 4.33Å; L34-I47 HydrophobicContact CD2-CD1 4.11Å; L34-I47 HydrophobicContact CG-CD1 4.35Å; L38-I47 HydrophobicContact CD2-CD1 4.22Å; L38-I47 HydrophobicContact CD2-CG1 4.05Å; S43-I47 VanDerWaalsContact O-CG1 3.3Å; S43-I47 WeakPolarHBondContact O-CG1 3.33Å; S43-I47 PolarHBondContact O-N 2.85Å; S44-I47 PolarHBondContact O-N 3.14Å; I47-E49 VanDerWaalsContact C-N 3.3Å; I47-E49 PolarHBondContact O-N 2.96Å; I47-L50 WeakPolarHBondContact O-CB 3.26Å; I47-L50 PolarHBondContact O-N 3.17Å; I47-L51 PolarHBondContact O-N 3.49Å; I47-L77 HydrophobicContact CD1-CD2 4.25Å; I47-Q81 HydrophobicContact CD1-CG 4.37Å; I47-Q81 HydrophobicContact CG1-CG 4.39Å; I47-L89 HydrophobicContact CB-CD1 4.06Å; I47-L89 HydrophobicContact CG2-CD1 3.69Å; I47-L89 HydrophobicContact CG2-CG 4.28Å; I47-L92 HydrophobicContact CG2-CD1 3.72Å; I47-L92 HydrophobicContact CG2-CG 4.29Å
48S92.3Very high87.8Confident18 Ų1859.2 Ų59.213%0.12631%0.308CS..Hα-helixtrans-61.1-41.6177.2-173.20000111S44 E45 L51 K52 E91S44-S48 PolarHBondContact O-N 3.3Å; E45-S48 PolarHBondContact O-N 2.96Å; S48-L51 PolarHBondContact O-N 2.95Å; S48-K52 WeakPolarHBondContact O-CG 3.19Å; S48-K52 PolarHBondContact O-N 3.23Å; S48-K52 VanDerWaalsContact O-N 3.13Å; S48-E91 PolarHBondContact OG-OE2 3.21Å
49E94.4Very high88.4Confident64 Ų6460.2 Ų60.230%0.29931%0.313SS..Hα-helixtrans-67-41.2174.9-171.155.5-14700112.2L13 E45 F46 I47 L51 K52 Q53L13-E49 HydrophobicContact CD1-CB 4.32Å; L13-E49 HydrophobicContact CD1-CG 3.55Å; L13-E49 HydrophobicContact CD2-CB 4.44Å; L13-E49 HydrophobicContact CD2-CG 4.25Å; E45-E49 PolarHBondContact O-N 3.44Å; F46-E49 PolarHBondContact O-N 3.47Å; I47-E49 VanDerWaalsContact C-N 3.3Å; I47-E49 PolarHBondContact O-N 2.96Å; E49-L51 VanDerWaalsContact C-N 3.27Å; E49-L51 PolarHBondContact O-N 3.27Å; E49-K52 WeakPolarHBondContact O-CB 3.47Å; E49-K52 PolarHBondContact O-N 3.14Å; E49-K52 VanDerWaalsContact O-N 3.13Å; E49-Q53 VanDerWaalsContact O-CG 3.31Å; E49-Q53 WeakPolarHBondContact O-CG 3.49Å; E49-Q53 PolarHBondContact O-N 3.04Å; E49-Q53 PolarHBondContact OE1-NE2 2.7Å
50L95.6Very high89.2Confident0 Ų053 Ų530%028%0.28CS..Hα-helixtrans-58.1-40174.9-177156.7000111.6L13 F16 F46 I47 Q53 T54 F73 L77L13-L50 HydrophobicContact CD2-CB 3.77Å; L13-L50 HydrophobicContact CD2-CG 4.46Å; F16-L50 HydrophobicContact CB-CG 4.5Å; F16-L50 HydrophobicContact CD1-CD1 3.75Å; F16-L50 HydrophobicContact CD1-CG 4.27Å; F16-L50 HydrophobicContact CD2-CD1 3.84Å; F16-L50 HydrophobicContact CE1-CD1 3.87Å; F16-L50 HydrophobicContact CE2-CD1 3.9Å; F16-L50 HydrophobicContact CG-CD1 3.79Å; F16-L50 HydrophobicContact CG-CG 4.24Å; F16-L50 HydrophobicContact CZ-CD1 3.95Å; F46-L50 HydrophobicContact CE1-CD1 3.98Å; F46-L50 WeakPolarHBondContact O-CB 3.26Å; F46-L50 PolarHBondContact O-N 3.28Å; I47-L50 WeakPolarHBondContact O-CB 3.26Å; I47-L50 PolarHBondContact O-N 3.17Å; L50-Q53 PolarHBondContact O-N 3.48Å; L50-T54 WeakPolarHBondContact O-CB 3.42Å; L50-T54 WeakPolarHBondContact O-CG2 3.47Å; L50-T54 PolarHBondContact O-N 2.93Å; L50-T54 VanDerWaalsContact O-N 3.15Å; L50-T54 PolarHBondContact O-OG1 3.36Å; L50-F73 HydrophobicContact CD2-CE1 4.23Å; L50-F73 HydrophobicContact CD2-CZ 3.88Å; L50-L77 HydrophobicContact CD1-CD2 4.25Å; L50-L77 HydrophobicContact CD2-CD1 3.6Å; L50-L77 HydrophobicContact CD2-CD2 3.86Å; L50-L77 HydrophobicContact CD2-CG 4.4Å
51L96Very high90.2Very high0 Ų054.4 Ų54.40%030%0.301CS..Hα-helixtrans-63.9-43.6174.7-82.1173.8000112.9I47 S48 E49 Q53 T54 C55 L56 L74 L77 E91 L92I47-L51 PolarHBondContact O-N 3.49Å; S48-L51 PolarHBondContact O-N 2.95Å; E49-L51 VanDerWaalsContact C-N 3.27Å; E49-L51 PolarHBondContact O-N 3.27Å; L51-Q53 PolarHBondContact O-N 2.97Å; L51-T54 CarbonylContact O-C 3.57Å; L51-T54 PolarHBondContact O-N 3.46Å; L51-T54 PolarHBondContact O-OG1 3.17Å; L51-C55 HydrophobicContact CD2-CB 4.39Å; L51-C55 PolarHBondContact O-N 3.35Å; L51-L56 HydrophobicContact CB-CD1 4.03Å; L51-L56 HydrophobicContact CB-CG 4.3Å; L51-L56 WeakPolarHBondContact O-CB 3.49Å; L51-L56 PolarHBondContact O-N 3.22Å; L51-L74 HydrophobicContact CD2-CD2 3.64Å; L51-L77 HydrophobicContact CD2-CD1 4.49Å; L51-E91 HydrophobicContact CD1-CB 4.2Å; L51-L92 HydrophobicContact CD1-CB 4.44Å; L51-L92 HydrophobicContact CD1-CD2 3.46Å; L51-L92 VanDerWaalsContact CD1-CD2 3.46Å; L51-L92 HydrophobicContact CD1-CG 3.53Å; L51-L92 HydrophobicContact CD2-CD2 3.42Å; L51-L92 VanDerWaalsContact CD2-CD2 3.42Å; L51-L92 HydrophobicContact CD2-CG 4.42Å; L51-L92 HydrophobicContact CG-CD2 3.66Å; L51-L92 HydrophobicContact CG-CG 4.28Å
52K96.6Very high91.7Very high104 Ų10453 Ų5345%0.45229%0.286SS..Hα-helixtrans-61.3-31.2174.7-69.1169.7-168.3163.20112.4S48 E49 T54 H57S48-K52 WeakPolarHBondContact O-CG 3.19Å; S48-K52 PolarHBondContact O-N 3.23Å; S48-K52 VanDerWaalsContact O-N 3.13Å; E49-K52 WeakPolarHBondContact O-CB 3.47Å; E49-K52 PolarHBondContact O-N 3.14Å; E49-K52 VanDerWaalsContact O-N 3.13Å; K52-T54 VanDerWaalsContact C-N 3.35Å; K52-H57 VanDerWaalsContact O-CA 3.26Å; K52-H57 WeakPolarHBondContact O-CA 3.26Å; K52-H57 VanDerWaalsContact O-CB 3.28Å; K52-H57 WeakPolarHBondContact O-CB 3.47Å; K52-H57 PolarHBondContact O-N 3.19Å
53Q96.8Very high93.3Very high36 Ų3647.3 Ų47.317%0.16826%0.262CS..THydrogen-bonded Turntrans-83-7.3175.7-62.2-58.8-36.600113.7L13 R17 E49 L50 L51L13-Q53 HydrophobicContact CB-CG 4.34Å; L13-Q53 HydrophobicContact CD2-CG 4.5Å; R17-Q53 HydrophobicContact CB-CB 4.32Å; R17-Q53 WeakPolarHBondContact CB-O 3.32Å; R17-Q53 WeakPolarHBondContact CG-O 3.37Å; E49-Q53 VanDerWaalsContact O-CG 3.31Å; E49-Q53 WeakPolarHBondContact O-CG 3.49Å; E49-Q53 PolarHBondContact O-N 3.04Å; E49-Q53 PolarHBondContact OE1-NE2 2.7Å; L50-Q53 PolarHBondContact O-N 3.48Å; L51-Q53 PolarHBondContact O-N 2.97Å
54T97.4Very high94.5Very high0 Ų048 Ų480%027%0.266CS..THydrogen-bonded Turntrans-129.2-100.6-175.256.90000112.6F20 L50 L51 K52 L56 H57 C60 F73F20-T54 HydrophobicContact CB-CG2 3.78Å; F20-T54 HydrophobicContact CD1-CG2 4.18Å; F20-T54 HydrophobicContact CD2-CG2 4.28Å; F20-T54 HydrophobicContact CG-CG2 3.83Å; L50-T54 WeakPolarHBondContact O-CB 3.42Å; L50-T54 WeakPolarHBondContact O-CG2 3.47Å; L50-T54 PolarHBondContact O-N 2.93Å; L50-T54 VanDerWaalsContact O-N 3.15Å; L50-T54 PolarHBondContact O-OG1 3.36Å; L51-T54 CarbonylContact O-C 3.57Å; L51-T54 PolarHBondContact O-N 3.46Å; L51-T54 PolarHBondContact O-OG1 3.17Å; K52-T54 VanDerWaalsContact C-N 3.35Å; T54-L56 VanDerWaalsContact C-N 3.31Å; T54-L56 PolarHBondContact O-N 2.94Å; T54-H57 WeakPolarHBondContact O-CB 3.34Å; T54-H57 PolarHBondContact O-N 3.22Å; T54-H57 VanDerWaalsContact O-N 3.13Å; T54-C60 WeakPolarHBondContact O-CB 3.37Å; T54-F73 HydrophobicContact CG2-CE1 4.17Å; T54-F73 HydrophobicContact CG2-CZ 3.95Å
55C96.8Very high95.4Very high18 Ų1845 Ų4512%0.12224%0.244CC..THydrogen-bonded Turntrans-62.4-34.5-173.8-71.60000113.3F20 L51 L74F20-C55 VanDerWaalsContact CE2-SG 3.54Å; F20-C55 HydrophobicContact CZ-CB 4.41Å; F20-C55 WeakPolarHBondContact CZ-SG 3.17Å; L51-C55 HydrophobicContact CD2-CB 4.39Å; L51-C55 PolarHBondContact O-N 3.35Å; C55-L74 HydrophobicContact CB-CD2 4.22Å
56L96.6Very high95.8Very high81 Ų8138.5 Ų38.542%0.42422%0.216SC..THydrogen-bonded Turntrans-92.51.4179.6-55.3-177.5000112.8L51 T54 A95L51-L56 HydrophobicContact CB-CD1 4.03Å; L51-L56 HydrophobicContact CB-CG 4.3Å; L51-L56 WeakPolarHBondContact O-CB 3.49Å; L51-L56 PolarHBondContact O-N 3.22Å; T54-L56 VanDerWaalsContact C-N 3.31Å; T54-L56 PolarHBondContact O-N 2.94Å; L56-A95 HydrophobicContact CD2-CB 4.3Å
57H97.4Very high96.1Very high38 Ų3838.5 Ų38.518%0.17622%0.217CC..SBendtrans-68.3139.3178.7-172.1-86.7000110.4F21 K52 T54 L59 C60 G61F21-H57 HydrophobicContact CE2-CB 4.1Å; F21-H57 HydrophobicContact CZ-CB 3.91Å; F21-H57 AromaticContact CZ-ND1 3.78Å; K52-H57 VanDerWaalsContact O-CA 3.26Å; K52-H57 WeakPolarHBondContact O-CA 3.26Å; K52-H57 VanDerWaalsContact O-CB 3.28Å; K52-H57 WeakPolarHBondContact O-CB 3.47Å; K52-H57 PolarHBondContact O-N 3.19Å; T54-H57 WeakPolarHBondContact O-CB 3.34Å; T54-H57 PolarHBondContact O-N 3.22Å; T54-H57 VanDerWaalsContact O-N 3.13Å; H57-L59 WeakPolarHBondContact ND1-CB 3.34Å; H57-L59 PolarHBondContact ND1-N 3.29Å; H57-L59 PolarHBondContact O-N 2.88Å; H57-C60 WeakPolarHBondContact O-CA 3.39Å; H57-C60 VanDerWaalsContact O-CB 3.29Å; H57-C60 WeakPolarHBondContact O-CB 3.38Å; H57-C60 PolarHBondContact O-N 2.86Å; H57-G61 PolarHBondContact O-N 3.37Å
58P97.2Very high96.3Very high108 Ų10846 Ų4670%0.70125%0.245SC*.Hα-helixtrans-55.1-33.7-178.5-28.435.1000114.3C60 G61 K62P58-C60 VanDerWaalsContact C-N 3.28Å; P58-C60 PolarHBondContact O-N 3.18Å; P58-G61 PolarHBondContact O-N 3.06Å; P58-K62 PolarHBondContact O-N 3.01Å
59L97.1Very high96.5Very high27 Ų2745.8 Ų45.814%0.14124%0.242CC..Hα-helixtrans-61.7-34.6174.5-166.471000112.4F21 H57 G61 K62 F63 F113 A119F21-L59 HydrophobicContact CD1-CD2 3.91Å; F21-L59 HydrophobicContact CD1-CG 4.34Å; F21-L59 HydrophobicContact CD2-CD2 4.49Å; F21-L59 HydrophobicContact CE1-CB 3.85Å; F21-L59 HydrophobicContact CE1-CD2 3.84Å; F21-L59 HydrophobicContact CE1-CG 3.88Å; F21-L59 HydrophobicContact CE2-CD2 4.44Å; F21-L59 HydrophobicContact CG-CD2 4.25Å; F21-L59 HydrophobicContact CZ-CB 3.77Å; F21-L59 HydrophobicContact CZ-CD2 4.12Å; F21-L59 HydrophobicContact CZ-CG 4.25Å; H57-L59 WeakPolarHBondContact ND1-CB 3.34Å; H57-L59 PolarHBondContact ND1-N 3.29Å; H57-L59 PolarHBondContact O-N 2.88Å; L59-G61 VanDerWaalsContact C-N 3.34Å; L59-K62 PolarHBondContact O-N 3.25Å; L59-F63 HydrophobicContact CD1-CD2 3.69Å; L59-F63 HydrophobicContact CD1-CE2 4.35Å; L59-F63 CarbonylContact O-C 3.54Å; L59-F63 WeakPolarHBondContact O-CA 3.41Å; L59-F63 PolarHBondContact O-N 3.1Å; L59-F113 HydrophobicContact CD2-CE1 4.11Å; L59-F113 HydrophobicContact CD2-CZ 3.74Å; L59-A119 HydrophobicContact CD1-CB 4.25Å; L59-A119 HydrophobicContact CD2-CB 3.72Å
60C97.3Very high96.7Very high4 Ų444.3 Ų44.33%0.02723%0.234CC..Hα-helixtrans-68.9-34.8177.4-174.40000111.1F20 F21 T54 H57 P58 K62 P64F20-C60 HydrophobicContact CE1-CB 4.49Å; F21-C60 HydrophobicContact CE1-CB 3.88Å; F21-C60 HydrophobicContact CZ-CB 3.8Å; T54-C60 WeakPolarHBondContact O-CB 3.37Å; H57-C60 WeakPolarHBondContact O-CA 3.39Å; H57-C60 VanDerWaalsContact O-CB 3.29Å; H57-C60 WeakPolarHBondContact O-CB 3.38Å; H57-C60 PolarHBondContact O-N 2.86Å; P58-C60 VanDerWaalsContact C-N 3.28Å; P58-C60 PolarHBondContact O-N 3.18Å; C60-K62 VanDerWaalsContact C-N 3.32Å; C60-K62 PolarHBondContact O-N 3.43Å; C60-P64 WeakPolarHBondContact O-CA 3.28Å; C60-P64 WeakPolarHBondContact O-CB 3.46Å; C60-P64 WeakPolarHBondContact O-CD 3.45Å
61G94.8Very high96.7Very high71 Ų7148.6 Ų48.673%0.73225%0.25SC*.Hα-helixtrans-64.3-35.7172.900000113.2H57 P58 L59H57-G61 PolarHBondContact O-N 3.37Å; P58-G61 PolarHBondContact O-N 3.06Å; L59-G61 VanDerWaalsContact C-N 3.34Å
62K96.2Very high96.8Very high148 Ų14852.1 Ų52.164%0.64327%0.268SS*.Hα-helixtrans-87.4-42.6-178.3-169.2178.5179.7-172.20113.6P58 L59 C60P58-K62 PolarHBondContact O-N 3.01Å; L59-K62 PolarHBondContact O-N 3.25Å; C60-K62 VanDerWaalsContact C-N 3.32Å; C60-K62 PolarHBondContact O-N 3.43Å
63F97.3Very high96.8Very high25 Ų2547.1 Ų47.111%0.1125%0.246CC..SBendtrans-133.169.9-174.3-56.9-56000109.3L59 H109 S121 L203L59-F63 HydrophobicContact CD1-CD2 3.69Å; L59-F63 HydrophobicContact CD1-CE2 4.35Å; L59-F63 CarbonylContact O-C 3.54Å; L59-F63 WeakPolarHBondContact O-CA 3.41Å; L59-F63 PolarHBondContact O-N 3.1Å; F63-H109 HydrophobicContact CB-CB 3.75Å; F63-H109 AromaticContact CD1-CD2 3.61Å; F63-H109 AromaticContact CD1-NE2 3.72Å; F63-S121 WeakPolarHBondContact CD2-OG 3.45Å; F63-L203 HydrophobicContact CD1-CD1 4.19Å; F63-L203 HydrophobicContact CD1-CD2 4.29Å; F63-L203 HydrophobicContact CE1-CD1 3.65Å; F63-L203 HydrophobicContact CE1-CD2 3.57Å; F63-L203 HydrophobicContact CE1-CG 3.63Å; F63-L203 HydrophobicContact CE2-CD2 4.2Å; F63-L203 HydrophobicContact CZ-CD1 4.39Å; F63-L203 HydrophobicContact CZ-CD2 3.5Å; F63-L203 VanDerWaalsContact CZ-CD2 3.5Å; F63-L203 HydrophobicContact CZ-CG 3.87Å
64P96.9Very high96.9Very high36 Ų3645.4 Ų45.423%0.23424%0.238CC..PPolyproline II helixtrans-68.6137.2-17423.9-32.3000112.1C60 H109C60-P64 WeakPolarHBondContact O-CA 3.28Å; C60-P64 WeakPolarHBondContact O-CB 3.46Å; C60-P64 WeakPolarHBondContact O-CD 3.45Å; P64-H109 PolarHBondContact O-N 3.29Å; P64-H109 VanDerWaalsContact O-N 3.08Å
65P97.5Very high96.9Very high1 Ų147.9 Ų47.91%0.00626%0.255CS..PPolyproline II helixtrans-55162.6157.2-25.736.5000111.9F20 F21 M23 V67 F69 R70 H109F20-P65 HydrophobicContact CD1-CG 4.16Å; F20-P65 HydrophobicContact CE1-CG 3.73Å; F20-P65 HydrophobicContact CZ-CG 4.11Å; F21-P65 HydrophobicContact CD1-CG 4.25Å; M23-P65 HydrophobicContact CG-CB 3.79Å; M23-P65 HydrophobicContact SD-CB 4.02Å; P65-V67 PolarHBondContact O-N 3.14Å; P65-F69 HydrophobicContact CB-CD1 4.01Å; P65-R70 HydrophobicContact CB-CG 4.09Å; P65-R70 PolarHBondContact O-NE 2.95Å; P65-H109 WeakPolarHBondContact CA-O 3.5Å
66S96.6Very high96.9Very high14 Ų1449 Ų4910%0.09826%0.258CS..PPolyproline II helixtrans-55.8144-176.279.30000112.1M23 R68 F69 R70M23-S66 VanDerWaalsContact CE-OG 3.26Å; M23-S66 WeakPolarHBondContact CE-OG 3.5Å; S66-R68 VanDerWaalsContact C-N 3.25Å; S66-R68 PolarHBondContact O-N 3.41Å; S66-F69 PolarHBondContact O-N 2.88Å; S66-F69 VanDerWaalsContact OG-CB 3.24Å; S66-F69 WeakPolarHBondContact OG-CB 3.28Å; S66-F69 PolarHBondContact OG-N 3.39Å; S66-R70 PolarHBondContact O-N 2.94Å
67V96.4Very high96.8Very high15 Ų1545.1 Ų45.19%0.09124%0.238CC..Hα-helixtrans-53-47.4179.21730000110.4P65 F69 R70 R71 V99 V102 E104P65-V67 PolarHBondContact O-N 3.14Å; V67-F69 VanDerWaalsContact C-N 3.33Å; V67-F69 PolarHBondContact O-N 2.94Å; V67-R70 PolarHBondContact O-N 2.78Å; V67-R71 WeakPolarHBondContact O-CB 3.32Å; V67-R71 PolarHBondContact O-N 2.82Å; V67-V99 HydrophobicContact CG1-CG1 4Å; V67-V99 WeakPolarHBondContact O-CG1 3.41Å; V67-V102 HydrophobicContact CG1-CB 4.44Å; V67-V102 HydrophobicContact CG2-CB 3.99Å; V67-V102 HydrophobicContact CG2-CG1 3.62Å; V67-E104 HydrophobicContact CB-CG 4.06Å; V67-E104 HydrophobicContact CG1-CG 3.98Å
68R95.4Very high96.6Very high158 Ų15843.8 Ų43.860%0.59623%0.233SC*.Hα-helixtrans-56.6-44.7176.5179.1174.4176.9156.5-0.1112.4S66 I72S66-R68 VanDerWaalsContact C-N 3.25Å; S66-R68 PolarHBondContact O-N 3.41Å; R68-I72 WeakPolarHBondContact O-CG1 3.36Å; R68-I72 PolarHBondContact O-N 3.49Å; R68-I72 VanDerWaalsContact O-N 3.13Å
69F96.8Very high96.5Very high14 Ų1444.7 Ų44.76%0.06123%0.225CC..Hα-helixtrans-66.5-46.1-179.5-179.5-98.2000112.1F20 M23 N24 L26 F29 P65 S66 V67 R71 I72 F73F20-F69 AromaticContact CD2-CE1 3.78Å; F20-F69 HydrophobicContact CD2-CE1 3.78Å; F20-F69 HydrophobicContact CE2-CD1 4.5Å; F20-F69 HydrophobicContact CE2-CE1 4.19Å; F20-F69 HydrophobicContact CG-CE1 4.37Å; F20-F69 WeakPolarHBondContact O-CE1 3.28Å; M23-F69 HydrophobicContact CB-CD1 4.41Å; M23-F69 HydrophobicContact CB-CD2 4.34Å; M23-F69 HydrophobicContact CB-CE1 4.48Å; M23-F69 HydrophobicContact CB-CE2 4.42Å; M23-F69 HydrophobicContact CB-CG 4.34Å; M23-F69 HydrophobicContact CB-CZ 4.48Å; M23-F69 HydrophobicContact CE-CB 3.87Å; M23-F69 HydrophobicContact CE-CG 4.25Å; M23-F69 HydrophobicContact CG-CD1 3.9Å; M23-F69 HydrophobicContact CG-CE1 4.25Å; M23-F69 HydrophobicContact CG-CG 4.07Å; N24-F69 VanDerWaalsContact O-CE2 3.24Å; N24-F69 WeakPolarHBondContact O-CE2 3.31Å; L26-F69 HydrophobicContact CD2-CE2 4.18Å; L26-F69 HydrophobicContact CD2-CZ 4.34Å; F29-F69 HydrophobicContact CE2-CZ 4.31Å; F29-F69 HydrophobicContact CZ-CZ 4.03Å; P65-F69 HydrophobicContact CB-CD1 4.01Å; S66-F69 PolarHBondContact O-N 2.88Å; S66-F69 VanDerWaalsContact OG-CB 3.24Å; S66-F69 WeakPolarHBondContact OG-CB 3.28Å; S66-F69 PolarHBondContact OG-N 3.39Å; V67-F69 VanDerWaalsContact C-N 3.33Å; V67-F69 PolarHBondContact O-N 2.94Å; F69-R71 VanDerWaalsContact C-N 3.3Å; F69-R71 PolarHBondContact O-N 2.79Å; F69-I72 HydrophobicContact CD2-CD1 4.19Å; F69-I72 HydrophobicContact CD2-CG1 4.5Å; F69-I72 WeakPolarHBondContact O-CG1 3.39Å; F69-I72 PolarHBondContact O-N 3.36Å; F69-F73 WeakPolarHBondContact O-CB 3.39Å; F69-F73 PolarHBondContact O-N 3.49Å
70R97.5Very high96.3Very high33 Ų3345.8 Ų45.813%0.12523%0.228CC..Hα-helixtrans-59.5-42.2176.9-68.4-172.4-77143.40.5111.6F20 P65 S66 V67 F73 L74 V99F20-R70 HydrophobicContact CE2-CG 4.21Å; F20-R70 HydrophobicContact CZ-CG 3.87Å; P65-R70 HydrophobicContact CB-CG 4.09Å; P65-R70 PolarHBondContact O-NE 2.95Å; S66-R70 PolarHBondContact O-N 2.94Å; V67-R70 PolarHBondContact O-N 2.78Å; R70-F73 PolarHBondContact O-N 2.85Å; R70-L74 WeakPolarHBondContact O-CB 3.29Å; R70-L74 WeakPolarHBondContact O-CG 3.45Å; R70-L74 PolarHBondContact O-N 3.44Å; R70-V99 HydrophobicContact CB-CG1 3.97Å; R70-V99 HydrophobicContact CB-CG2 4.04Å
71R97Very high96Very high90 Ų9045.8 Ų45.834%0.3423%0.227SC..Hα-helixtrans-59-52.5176.1-178176.457.4-155.6-14111.8V67 F69 F73 L74 S75 L96 V99 E104V67-R71 WeakPolarHBondContact O-CB 3.32Å; V67-R71 PolarHBondContact O-N 2.82Å; F69-R71 VanDerWaalsContact C-N 3.3Å; F69-R71 PolarHBondContact O-N 2.79Å; R71-F73 VanDerWaalsContact C-N 3.3Å; R71-F73 PolarHBondContact O-N 2.91Å; R71-L74 PolarHBondContact O-N 2.89Å; R71-S75 WeakPolarHBondContact O-CB 3.31Å; R71-S75 PolarHBondContact O-N 3.42Å; R71-S75 PolarHBondContact O-OG 2.91Å; R71-L96 HydrophobicContact CG-CD1 3.98Å; R71-V99 HydrophobicContact CB-CG1 4.07Å; R71-E104 IonicContact CZ-OE1 2.64Å; R71-E104 IonicContact NH1-OE1 2.77Å; R71-E104 IonicContact NH2-OE1 3.52Å; R71-E104 PolarHBondContact NH2-OE1 2.82Å
72I96.9Very high95.9Very high73 Ų7347.4 Ų47.437%0.37422%0.216SC..Hα-helixtrans-65.9-33.4-179.162.4173.4000112.5L26 R68 F69 E76L26-I72 HydrophobicContact CD1-CB 4.12Å; L26-I72 HydrophobicContact CD1-CD1 3.86Å; L26-I72 HydrophobicContact CD1-CG1 3.89Å; L26-I72 HydrophobicContact CG-CD1 4.29Å; R68-I72 WeakPolarHBondContact O-CG1 3.36Å; R68-I72 PolarHBondContact O-N 3.49Å; R68-I72 VanDerWaalsContact O-N 3.13Å; F69-I72 HydrophobicContact CD2-CD1 4.19Å; F69-I72 HydrophobicContact CD2-CG1 4.5Å; F69-I72 WeakPolarHBondContact O-CG1 3.39Å; F69-I72 PolarHBondContact O-N 3.36Å; I72-E76 WeakPolarHBondContact O-CB 3.48Å; I72-E76 PolarHBondContact O-N 3.2Å
73F98Very high95.6Very high0 Ų044.6 Ų44.60%022%0.22CC..Hα-helixtrans-65.9-49177.1177-99.9000111.5F16 F20 L26 F29 W31 L50 T54 F69 R70 R71 E76 L77F16-F73 HydrophobicContact CD1-CE2 4.16Å; F16-F73 HydrophobicContact CD1-CZ 4.24Å; F16-F73 HydrophobicContact CE1-CE2 4.46Å; F20-F73 HydrophobicContact CD2-CB 4.46Å; F20-F73 AromaticContact CD2-CD1 3.62Å; F20-F73 HydrophobicContact CD2-CD1 3.62Å; F20-F73 HydrophobicContact CD2-CD2 4.07Å; F20-F73 AromaticContact CD2-CE1 3.75Å; F20-F73 HydrophobicContact CD2-CE1 3.75Å; F20-F73 HydrophobicContact CD2-CE2 4.2Å; F20-F73 AromaticContact CD2-CG 3.78Å; F20-F73 HydrophobicContact CD2-CG 3.78Å; F20-F73 HydrophobicContact CD2-CZ 4.04Å; F20-F73 HydrophobicContact CE2-CB 4.35Å; F20-F73 AromaticContact CE2-CD1 3.56Å; F20-F73 HydrophobicContact CE2-CD1 3.56Å; F20-F73 AromaticContact CE2-CE1 3.96Å; F20-F73 HydrophobicContact CE2-CE1 3.96Å; F20-F73 AromaticContact CE2-CG 3.95Å; F20-F73 HydrophobicContact CE2-CG 3.95Å; L26-F73 HydrophobicContact CD2-CB 4.18Å; L26-F73 HydrophobicContact CD2-CD2 3.85Å; F29-F73 HydrophobicContact CD1-CE2 4.08Å; F29-F73 HydrophobicContact CE1-CD2 4.17Å; F29-F73 AromaticContact CE1-CE2 3.62Å; F29-F73 HydrophobicContact CE1-CE2 3.62Å; F29-F73 HydrophobicContact CZ-CD2 4.3Å; F29-F73 HydrophobicContact CZ-CE2 4.21Å; W31-F73 HydrophobicContact CH2-CD2 4.24Å; W31-F73 AromaticContact CH2-CE2 3.95Å; W31-F73 HydrophobicContact CH2-CE2 3.95Å; L50-F73 HydrophobicContact CD2-CE1 4.23Å; L50-F73 HydrophobicContact CD2-CZ 3.88Å; T54-F73 HydrophobicContact CG2-CE1 4.17Å; T54-F73 HydrophobicContact CG2-CZ 3.95Å; F69-F73 WeakPolarHBondContact O-CB 3.39Å; F69-F73 PolarHBondContact O-N 3.49Å; R70-F73 PolarHBondContact O-N 2.85Å; R71-F73 VanDerWaalsContact C-N 3.3Å; R71-F73 PolarHBondContact O-N 2.91Å; F73-E76 PolarHBondContact O-N 3.44Å; F73-L77 HydrophobicContact CD1-CD1 4.04Å; F73-L77 HydrophobicContact CE1-CD1 3.53Å; F73-L77 HydrophobicContact CE1-CG 4.43Å; F73-L77 HydrophobicContact CZ-CD1 3.9Å; F73-L77 HydrophobicContact CZ-CG 4.48Å; F73-L77 PolarHBondContact O-N 2.87Å; F73-L77 VanDerWaalsContact O-N 3.11Å
74L97.7Very high95.3Very high0 Ų045.4 Ų45.40%023%0.232CC..Hα-helixtrans-63.7-43.7177.3-71.6167.6000111.8L51 C55 R70 R71 E76 L77 I78 L92 A95 L96 V99L51-L74 HydrophobicContact CD2-CD2 3.64Å; C55-L74 HydrophobicContact CB-CD2 4.22Å; R70-L74 WeakPolarHBondContact O-CB 3.29Å; R70-L74 WeakPolarHBondContact O-CG 3.45Å; R70-L74 PolarHBondContact O-N 3.44Å; R71-L74 PolarHBondContact O-N 2.89Å; L74-E76 VanDerWaalsContact C-N 3.29Å; L74-E76 PolarHBondContact O-N 2.77Å; L74-L77 PolarHBondContact O-N 3.19Å; L74-I78 WeakPolarHBondContact O-CG1 3.3Å; L74-I78 PolarHBondContact O-N 3.01Å; L74-L92 HydrophobicContact CD2-CD2 3.98Å; L74-A95 HydrophobicContact CD1-CB 4.13Å; L74-A95 HydrophobicContact CD2-CB 4.12Å; L74-L96 HydrophobicContact CB-CB 4.33Å; L74-L96 HydrophobicContact CB-CD1 4.09Å; L74-L96 HydrophobicContact CD1-CB 4.27Å; L74-L96 HydrophobicContact CD1-CD1 4.46Å; L74-V99 HydrophobicContact CD1-CG2 3.99Å
75S96.8Very high94.8Very high51 Ų5147.1 Ų47.136%0.35726%0.255SS..Hα-helixtrans-61.6-36.1175.6-60.80000112.7R71 I78 K79R71-S75 WeakPolarHBondContact O-CB 3.31Å; R71-S75 PolarHBondContact O-N 3.42Å; R71-S75 PolarHBondContact O-OG 2.91Å; S75-I78 PolarHBondContact O-N 3.16Å; S75-K79 VanDerWaalsContact O-CB 3.29Å; S75-K79 WeakPolarHBondContact O-CB 3.35Å; S75-K79 PolarHBondContact O-N 3.28Å
76E96.6Very high94.3Very high41 Ų4148.5 Ų48.519%0.19227%0.265CS..Hα-helixtrans-68.2-38.2176.3-177.164.3-169.400111.8L26 W31 I72 F73 L74 R80L26-E76 HydrophobicContact CD1-CB 4.38Å; W31-E76 HydrophobicContact CH2-CG 4.07Å; W31-E76 HydrophobicContact CZ2-CG 3.93Å; I72-E76 WeakPolarHBondContact O-CB 3.48Å; I72-E76 PolarHBondContact O-N 3.2Å; F73-E76 PolarHBondContact O-N 3.44Å; L74-E76 VanDerWaalsContact C-N 3.29Å; L74-E76 PolarHBondContact O-N 2.77Å; E76-R80 WeakPolarHBondContact O-CB 3.28Å; E76-R80 VanDerWaalsContact O-CG 3.29Å; E76-R80 WeakPolarHBondContact O-CG 3.46Å; E76-R80 PolarHBondContact O-N 3.22Å; E76-R80 IonicContact OE1-CZ 2.72Å; E76-R80 IonicContact OE1-NE 3.55Å; E76-R80 PolarHBondContact OE1-NE 2.89Å; E76-R80 IonicContact OE1-NH2 2.76Å; E76-R80 PolarHBondContact OE1-NH2 3.48Å; E76-R80 VanDerWaalsContact OE1-NH2 3.14Å
77L95Very high93.8Very high0 Ų055.2 Ų55.20%030%0.299CS..Hα-helixtrans-63.3-43.3173.8-72.7170.5000112.4W31 L34 I47 L50 L51 F73 L74 R80 Q81 L92W31-L77 HydrophobicContact CH2-CD2 4.27Å; W31-L77 HydrophobicContact CZ3-CD2 3.76Å; W31-L77 HydrophobicContact CZ3-CG 4.47Å; L34-L77 HydrophobicContact CD2-CD2 3.76Å; I47-L77 HydrophobicContact CD1-CD2 4.25Å; L50-L77 HydrophobicContact CD1-CD2 4.25Å; L50-L77 HydrophobicContact CD2-CD1 3.6Å; L50-L77 HydrophobicContact CD2-CD2 3.86Å; L50-L77 HydrophobicContact CD2-CG 4.4Å; L51-L77 HydrophobicContact CD2-CD1 4.49Å; F73-L77 HydrophobicContact CD1-CD1 4.04Å; F73-L77 HydrophobicContact CE1-CD1 3.53Å; F73-L77 HydrophobicContact CE1-CG 4.43Å; F73-L77 HydrophobicContact CZ-CD1 3.9Å; F73-L77 HydrophobicContact CZ-CG 4.48Å; F73-L77 PolarHBondContact O-N 2.87Å; F73-L77 VanDerWaalsContact O-N 3.11Å; L74-L77 PolarHBondContact O-N 3.19Å; L77-R80 PolarHBondContact O-N 3.27Å; L77-Q81 PolarHBondContact O-N 3.47Å; L77-Q81 PolarHBondContact O-NE2 3.43Å; L77-L92 HydrophobicContact CB-CD2 4.13Å; L77-L92 HydrophobicContact CD1-CD2 4Å
78I94.7Very high93.5Very high11 Ų1155.3 Ų55.36%0.05630%0.301CS..Hα-helixtrans-61.2-53.5176.5-70.6165.1000109.7L74 S75 R80 Q81 E82 P88 L92 Y93 L96L74-I78 WeakPolarHBondContact O-CG1 3.3Å; L74-I78 PolarHBondContact O-N 3.01Å; S75-I78 PolarHBondContact O-N 3.16Å; I78-R80 PolarHBondContact O-N 3.32Å; I78-Q81 PolarHBondContact O-N 3.49Å; I78-Q81 VanDerWaalsContact O-N 3.11Å; I78-E82 HydrophobicContact CG2-CG 4.36Å; I78-E82 WeakPolarHBondContact CG2-OE1 3.39Å; I78-E82 WeakPolarHBondContact O-CG 3.43Å; I78-E82 PolarHBondContact O-N 3Å; I78-P88 HydrophobicContact CG1-CB 4.45Å; I78-P88 HydrophobicContact CG2-CB 4.36Å; I78-P88 HydrophobicContact CG2-CG 4.04Å; I78-L92 HydrophobicContact CD1-CB 4.42Å; I78-L92 HydrophobicContact CG1-CB 4.1Å; I78-L92 HydrophobicContact CG1-CD1 4.36Å; I78-Y93 HydrophobicContact CD1-CD1 3.98Å; I78-Y93 HydrophobicContact CD1-CE1 3.92Å; I78-Y93 HydrophobicContact CG1-CE1 4.48Å; I78-Y93 HydrophobicContact CG2-CE1 4.11Å; I78-L96 HydrophobicContact CD1-CD2 3.7Å
79K94.5Very high93.2Very high126 Ų12649.6 Ų49.655%0.54828%0.281SS..Hα-helixtrans-55.2-38.6179.9-179.9-173.6171.2-165.70112.6S75 A83S75-K79 VanDerWaalsContact O-CB 3.29Å; S75-K79 WeakPolarHBondContact O-CB 3.35Å; S75-K79 PolarHBondContact O-N 3.28Å; K79-A83 VanDerWaalsContact O-CB 3.27Å; K79-A83 WeakPolarHBondContact O-CB 3.17Å; K79-A83 PolarHBondContact O-N 3.13Å
80R92.4Very high93Very high51 Ų5155 Ų5519%0.19231%0.311CS..Hα-helixtrans-70.1-39.6179.4-76.6176.2176.2-86.4-3.4112.9D35 L38 E76 L77 I78 A83 A84D35-R80 IonicContact OD1-CZ 3.22Å; D35-R80 IonicContact OD1-NH1 3.85Å; D35-R80 PolarHBondContact OD1-NH1 3.29Å; D35-R80 IonicContact OD2-CZ 3.83Å; D35-R80 IonicContact OD2-NH1 3.5Å; D35-R80 PolarHBondContact OD2-NH1 3Å; L38-R80 HydrophobicContact CD1-CB 4.12Å; E76-R80 WeakPolarHBondContact O-CB 3.28Å; E76-R80 VanDerWaalsContact O-CG 3.29Å; E76-R80 WeakPolarHBondContact O-CG 3.46Å; E76-R80 PolarHBondContact O-N 3.22Å; E76-R80 IonicContact OE1-CZ 2.72Å; E76-R80 IonicContact OE1-NE 3.55Å; E76-R80 PolarHBondContact OE1-NE 2.89Å; E76-R80 IonicContact OE1-NH2 2.76Å; E76-R80 PolarHBondContact OE1-NH2 3.48Å; E76-R80 VanDerWaalsContact OE1-NH2 3.14Å; L77-R80 PolarHBondContact O-N 3.27Å; I78-R80 PolarHBondContact O-N 3.32Å; R80-A83 PolarHBondContact O-N 2.88Å; R80-A84 WeakPolarHBondContact O-CB 3.38Å; R80-A84 PolarHBondContact O-N 2.94Å; R80-A84 VanDerWaalsContact O-N 3.07Å
81Q91.2Very high92.8Very high4 Ų457.8 Ų57.82%0.01933%0.325CS..Hα-helixtrans-64.4-46.3173.2-78.7163.8102.700111.5L38 I47 L77 I78 A83 A84 G85 C86 P88L38-Q81 HydrophobicContact CD1-CG 4.27Å; L38-Q81 HydrophobicContact CD2-CG 3.73Å; I47-Q81 HydrophobicContact CD1-CG 4.37Å; I47-Q81 HydrophobicContact CG1-CG 4.39Å; L77-Q81 PolarHBondContact O-N 3.47Å; L77-Q81 PolarHBondContact O-NE2 3.43Å; I78-Q81 PolarHBondContact O-N 3.49Å; I78-Q81 VanDerWaalsContact O-N 3.11Å; Q81-A83 VanDerWaalsContact C-N 3.31Å; Q81-A83 PolarHBondContact O-N 3.15Å; Q81-A84 CarbonylContact O-C 3.56Å; Q81-A84 WeakPolarHBondContact O-CA 3.34Å; Q81-A84 PolarHBondContact O-N 2.65Å; Q81-G85 PolarHBondContact O-N 3.36Å; Q81-C86 CarbonylContact C-O 3.5Å; Q81-C86 HydrophobicContact CB-CB 4.22Å; Q81-C86 PolarHBondContact O-N 2.81Å; Q81-P88 HydrophobicContact CB-CB 4.41Å; Q81-P88 HydrophobicContact CB-CG 4.15Å
82E91.8Very high92.7Very high105 Ų10553.5 Ų53.549%0.49131%0.309SS..Hα-helixtrans-58.7-43.3176.4-68.1172.9163.800111.3I78 A84 G85 P88 Y93I78-E82 HydrophobicContact CG2-CG 4.36Å; I78-E82 WeakPolarHBondContact CG2-OE1 3.39Å; I78-E82 WeakPolarHBondContact O-CG 3.43Å; I78-E82 PolarHBondContact O-N 3Å; E82-A84 VanDerWaalsContact C-N 3.26Å; E82-A84 PolarHBondContact O-N 3.09Å; E82-G85 PolarHBondContact O-N 3Å; E82-P88 HydrophobicContact CG-CG 3.69Å; E82-Y93 PolarHBondContact OE1-OH 3.39Å
83A91.2Very high92.6Very high88 Ų8854.4 Ų54.473%0.72731%0.309SS*.Hα-helixtrans-65.7-27.6177.200000113.4K79 R80 Q81 G85K79-A83 VanDerWaalsContact O-CB 3.27Å; K79-A83 WeakPolarHBondContact O-CB 3.17Å; K79-A83 PolarHBondContact O-N 3.13Å; R80-A83 PolarHBondContact O-N 2.88Å; Q81-A83 VanDerWaalsContact C-N 3.31Å; Q81-A83 PolarHBondContact O-N 3.15Å; A83-G85 VanDerWaalsContact C-N 3.26Å
84A89.5Confident92.4Very high43 Ų4359.4 Ų59.436%0.35534%0.336SS..THydrogen-bonded Turntrans-82.3-0.9172.900000113.1L38 R80 Q81 E82 C86L38-A84 HydrophobicContact CB-CB 3.89Å; L38-A84 HydrophobicContact CD1-CB 4.32Å; R80-A84 WeakPolarHBondContact O-CB 3.38Å; R80-A84 PolarHBondContact O-N 2.94Å; R80-A84 VanDerWaalsContact O-N 3.07Å; Q81-A84 CarbonylContact O-C 3.56Å; Q81-A84 WeakPolarHBondContact O-CA 3.34Å; Q81-A84 PolarHBondContact O-N 2.65Å; E82-A84 VanDerWaalsContact C-N 3.26Å; E82-A84 PolarHBondContact O-N 3.09Å; A84-C86 VanDerWaalsContact C-N 3.26Å; A84-C86 PolarHBondContact O-N 2.97Å
85G87.1Confident92.3Very high71 Ų7159.6 Ų59.673%0.73234%0.337SS*.THydrogen-bonded Turntrans72.618.6-175.700000113.8Q81 E82 A83Q81-G85 PolarHBondContact O-N 3.36Å; E82-G85 PolarHBondContact O-N 3Å; A83-G85 VanDerWaalsContact C-N 3.26Å
86C86.8Confident92.3Very high30 Ų3058.6 Ų58.620%0.20333%0.328CS..PPolyproline II helixtrans-92.6142.8173.2-65.20000110.2Q81 A84 P88Q81-C86 CarbonylContact C-O 3.5Å; Q81-C86 HydrophobicContact CB-CB 4.22Å; Q81-C86 PolarHBondContact O-N 2.81Å; A84-C86 VanDerWaalsContact C-N 3.26Å; A84-C86 PolarHBondContact O-N 2.97Å; C86-P88 WeakPolarHBondContact O-CD 3.32Å
87D87.4Confident92.2Very high155 Ų15559.7 Ų59.783%0.82934%0.344SS*.PPolyproline II helixtrans-72.9122.4167.3-65.4-36.8000108.9
88P88.7Confident92.2Very high18 Ų1866.4 Ų66.412%0.11738%0.375CS..PPolyproline II helixtrans-64143.9179.2-2133.5000111.8I78 Q81 E82 C86 L92 Y93I78-P88 HydrophobicContact CG1-CB 4.45Å; I78-P88 HydrophobicContact CG2-CB 4.36Å; I78-P88 HydrophobicContact CG2-CG 4.04Å; Q81-P88 HydrophobicContact CB-CB 4.41Å; Q81-P88 HydrophobicContact CB-CG 4.15Å; E82-P88 HydrophobicContact CG-CG 3.69Å; C86-P88 WeakPolarHBondContact O-CD 3.32Å; P88-L92 HydrophobicContact CB-CD1 4.47Å; P88-Y93 HydrophobicContact CB-CE2 3.73Å; P88-Y93 HydrophobicContact CG-CE2 4.22Å
89L89.4Confident92.2Very high37 Ų3766.2 Ų66.219%0.19437%0.374CS..PPolyproline II helixtrans-58.9138.5177.9-62-179.6000112.3I47 E91 L92I47-L89 HydrophobicContact CB-CD1 4.06Å; I47-L89 HydrophobicContact CG2-CD1 3.69Å; I47-L89 HydrophobicContact CG2-CG 4.28Å; L89-E91 PolarHBondContact O-N 2.91Å; L89-L92 HydrophobicContact CB-CD1 4.31Å; L89-L92 HydrophobicContact CB-CG 4.44Å; L89-L92 VanDerWaalsContact O-CB 3.31Å; L89-L92 WeakPolarHBondContact O-CB 3.48Å; L89-L92 PolarHBondContact O-N 3.27Å
90D92.8Very high92.1Very high129 Ų12964.6 Ų64.669%0.6938%0.375SS*.Hα-helixtrans-53.9-39.1173.5-67.2-24.9000111.7L92 Y93 D94D90-L92 PolarHBondContact O-N 3.03Å; D90-L92 VanDerWaalsContact O-N 3.11Å; D90-Y93 PolarHBondContact O-N 3.13Å; D90-D94 PolarHBondContact O-N 3.34Å
91E94Very high92Very high90 Ų9065.5 Ų65.542%0.42140%0.4SS..Hα-helixtrans-54.8-30.5176.5-61.6171.7165.600113.1S48 L51 L89 A95S48-E91 PolarHBondContact OG-OE2 3.21Å; L51-E91 HydrophobicContact CD1-CB 4.2Å; L89-E91 PolarHBondContact O-N 2.91Å; E91-A95 WeakPolarHBondContact O-CB 3.31Å; E91-A95 PolarHBondContact O-N 3.21Å; E91-A95 VanDerWaalsContact O-N 3.09Å
92L93.4Very high92Very high0 Ų068.5 Ų68.50%042%0.418CS..Hα-helixtrans-73.3-42.2175.5-77.4165.1000112.2I47 L51 L74 L77 I78 P88 L89 D90 D94 A95 L96I47-L92 HydrophobicContact CG2-CD1 3.72Å; I47-L92 HydrophobicContact CG2-CG 4.29Å; L51-L92 HydrophobicContact CD1-CB 4.44Å; L51-L92 HydrophobicContact CD1-CD2 3.46Å; L51-L92 VanDerWaalsContact CD1-CD2 3.46Å; L51-L92 HydrophobicContact CD1-CG 3.53Å; L51-L92 HydrophobicContact CD2-CD2 3.42Å; L51-L92 VanDerWaalsContact CD2-CD2 3.42Å; L51-L92 HydrophobicContact CD2-CG 4.42Å; L51-L92 HydrophobicContact CG-CD2 3.66Å; L51-L92 HydrophobicContact CG-CG 4.28Å; L74-L92 HydrophobicContact CD2-CD2 3.98Å; L77-L92 HydrophobicContact CB-CD2 4.13Å; L77-L92 HydrophobicContact CD1-CD2 4Å; I78-L92 HydrophobicContact CD1-CB 4.42Å; I78-L92 HydrophobicContact CG1-CB 4.1Å; I78-L92 HydrophobicContact CG1-CD1 4.36Å; P88-L92 HydrophobicContact CB-CD1 4.47Å; L89-L92 HydrophobicContact CB-CD1 4.31Å; L89-L92 HydrophobicContact CB-CG 4.44Å; L89-L92 VanDerWaalsContact O-CB 3.31Å; L89-L92 WeakPolarHBondContact O-CB 3.48Å; L89-L92 PolarHBondContact O-N 3.27Å; D90-L92 PolarHBondContact O-N 3.03Å; D90-L92 VanDerWaalsContact O-N 3.11Å; L92-D94 VanDerWaalsContact C-N 3.35Å; L92-A95 PolarHBondContact O-N 2.81Å; L92-L96 WeakPolarHBondContact O-CB 3.49Å; L92-L96 PolarHBondContact O-N 3.1Å
93Y94.7Very high92Very high93 Ų9371.4 Ų71.437%0.36543%0.432SS..Hα-helixtrans-67.7-40178.3-72.7-68.5000110.7I78 E82 P88 D90 L96 A97I78-Y93 HydrophobicContact CD1-CD1 3.98Å; I78-Y93 HydrophobicContact CD1-CE1 3.92Å; I78-Y93 HydrophobicContact CG1-CE1 4.48Å; I78-Y93 HydrophobicContact CG2-CE1 4.11Å; E82-Y93 PolarHBondContact OE1-OH 3.39Å; P88-Y93 HydrophobicContact CB-CE2 3.73Å; P88-Y93 HydrophobicContact CG-CE2 4.22Å; D90-Y93 PolarHBondContact O-N 3.13Å; Y93-L96 PolarHBondContact O-N 2.87Å; Y93-A97 WeakPolarHBondContact O-CB 3.45Å; Y93-A97 PolarHBondContact O-N 2.9Å
94D95.3Very high92Very high105 Ų10571.9 Ų71.956%0.56142%0.419SS*.Hα-helixtrans-59.3-51.2173.4-70.5-20.9000110.8D90 L92 L96 A97 E98D90-D94 PolarHBondContact O-N 3.34Å; L92-D94 VanDerWaalsContact C-N 3.35Å; D94-L96 VanDerWaalsContact C-N 3.28Å; D94-L96 PolarHBondContact O-N 2.77Å; D94-A97 PolarHBondContact O-N 3.5Å; D94-E98 WeakPolarHBondContact O-CG 3.2Å; D94-E98 PolarHBondContact O-N 2.96Å
95A95.2Very high92.1Very high4 Ų473.8 Ų73.83%0.03343%0.426CS..Hα-helixtrans-60-37.417700000112.6L56 L74 E91 L92 V99L56-A95 HydrophobicContact CD2-CB 4.3Å; L74-A95 HydrophobicContact CD1-CB 4.13Å; L74-A95 HydrophobicContact CD2-CB 4.12Å; E91-A95 WeakPolarHBondContact O-CB 3.31Å; E91-A95 PolarHBondContact O-N 3.21Å; E91-A95 VanDerWaalsContact O-N 3.09Å; L92-A95 PolarHBondContact O-N 2.81Å; A95-V99 VanDerWaalsContact O-CG2 3.29Å; A95-V99 WeakPolarHBondContact O-CG2 3.27Å; A95-V99 PolarHBondContact O-N 3.02Å
96L96.7Very high92.2Very high30 Ų3074.6 Ų74.616%0.15742%0.419CS..Hα-helixtrans-69.5-43.6177.2178.961.6000111.4R71 L74 I78 L92 Y93 D94 E98 V99 V100R71-L96 HydrophobicContact CG-CD1 3.98Å; L74-L96 HydrophobicContact CB-CB 4.33Å; L74-L96 HydrophobicContact CB-CD1 4.09Å; L74-L96 HydrophobicContact CD1-CB 4.27Å; L74-L96 HydrophobicContact CD1-CD1 4.46Å; I78-L96 HydrophobicContact CD1-CD2 3.7Å; L92-L96 WeakPolarHBondContact O-CB 3.49Å; L92-L96 PolarHBondContact O-N 3.1Å; Y93-L96 PolarHBondContact O-N 2.87Å; D94-L96 VanDerWaalsContact C-N 3.28Å; D94-L96 PolarHBondContact O-N 2.77Å; L96-E98 VanDerWaalsContact C-N 3.32Å; L96-E98 PolarHBondContact O-N 3.38Å; L96-V99 PolarHBondContact O-N 2.81Å; L96-V100 HydrophobicContact CD1-CG2 4.2Å; L96-V100 HydrophobicContact CG-CG2 4.39Å; L96-V100 VanDerWaalsContact O-CG2 3.27Å; L96-V100 WeakPolarHBondContact O-CG2 3.48Å; L96-V100 PolarHBondContact O-N 3.08Å
97A95.6Very high92.5Very high64 Ų6476.5 Ų76.553%0.52942%0.424SS..Hα-helixtrans-61-42.817800000111.3Y93 D94 V99 V100 G101Y93-A97 WeakPolarHBondContact O-CB 3.45Å; Y93-A97 PolarHBondContact O-N 2.9Å; D94-A97 PolarHBondContact O-N 3.5Å; A97-V99 PolarHBondContact O-N 3.16Å; A97-V100 PolarHBondContact O-N 3.41Å; A97-G101 PolarHBondContact O-N 3.23Å; A97-G101 VanDerWaalsContact O-N 3.16Å
98E94.3Very high92.9Very high141 Ų14169.4 Ų69.466%0.65939%0.387SS*.Hα-helixtrans-56.6-48.5173.1-74.3-176.117700111.5D94 L96 V100 G101 V102D94-E98 WeakPolarHBondContact O-CG 3.2Å; D94-E98 PolarHBondContact O-N 2.96Å; L96-E98 VanDerWaalsContact C-N 3.32Å; L96-E98 PolarHBondContact O-N 3.38Å; E98-V100 PolarHBondContact O-N 3.27Å; E98-G101 PolarHBondContact O-N 3.44Å; E98-V102 WeakPolarHBondContact O-CG2 3.39Å
99V94.2Very high93.3Very high6 Ų670.1 Ų70.14%0.03639%0.389CS..Hα-helixtrans-65.2-39-179.6173.90000112V67 R70 R71 L74 A95 L96 A97 G101 V102V67-V99 HydrophobicContact CG1-CG1 4Å; V67-V99 WeakPolarHBondContact O-CG1 3.41Å; R70-V99 HydrophobicContact CB-CG1 3.97Å; R70-V99 HydrophobicContact CB-CG2 4.04Å; R71-V99 HydrophobicContact CB-CG1 4.07Å; L74-V99 HydrophobicContact CD1-CG2 3.99Å; A95-V99 VanDerWaalsContact O-CG2 3.29Å; A95-V99 WeakPolarHBondContact O-CG2 3.27Å; A95-V99 PolarHBondContact O-N 3.02Å; L96-V99 PolarHBondContact O-N 2.81Å; A97-V99 PolarHBondContact O-N 3.16Å; V99-G101 PolarHBondContact O-N 3.26Å; V99-V102 PolarHBondContact O-N 2.72Å; V99-V102 VanDerWaalsContact O-N 3.13Å
100V92.3Very high93.7Very high93 Ų9370.1 Ų70.156%0.56439%0.387SS*.Hα-helixtrans-64.3-29178.6169.60000111.7L96 A97 E98 V102L96-V100 HydrophobicContact CD1-CG2 4.2Å; L96-V100 HydrophobicContact CG-CG2 4.39Å; L96-V100 VanDerWaalsContact O-CG2 3.27Å; L96-V100 WeakPolarHBondContact O-CG2 3.48Å; L96-V100 PolarHBondContact O-N 3.08Å; A97-V100 PolarHBondContact O-N 3.41Å; E98-V100 PolarHBondContact O-N 3.27Å; V100-V102 VanDerWaalsContact C-N 3.28Å; V100-V102 PolarHBondContact O-N 3.23Å
101G89.8Confident94Very high69 Ų6964 Ų6471%0.71136%0.355SS*.THydrogen-bonded Turntrans-74.8-9.1175.100000115.2A97 E98 V99A97-G101 PolarHBondContact O-N 3.23Å; A97-G101 VanDerWaalsContact O-N 3.16Å; E98-G101 PolarHBondContact O-N 3.44Å; V99-G101 PolarHBondContact O-N 3.26Å
102V92Very high94.2Very high68 Ų6860 Ų6041%0.41234%0.336SS..SBendtrans-92134.8-176.4-174.20000111.4V67 E98 V99 V100V67-V102 HydrophobicContact CG1-CB 4.44Å; V67-V102 HydrophobicContact CG2-CB 3.99Å; V67-V102 HydrophobicContact CG2-CG1 3.62Å; E98-V102 WeakPolarHBondContact O-CG2 3.39Å; V99-V102 PolarHBondContact O-N 2.72Å; V99-V102 VanDerWaalsContact O-N 3.13Å; V100-V102 VanDerWaalsContact C-N 3.28Å; V100-V102 PolarHBondContact O-N 3.23Å
103E91.4Very high94.3Very high166 Ų16661.7 Ų61.778%0.77634%0.343SS*.PPolyproline II helixtrans-67.2133.6173.8-169.8175.6-175.400111.8
104E91.3Very high94.4Very high98 Ų9857.6 Ų57.646%0.45833%0.328SS..PPolyproline II helixtrans-73.1131.6174.5-63.5-165.7-173.300110.2V67 R71V67-E104 HydrophobicContact CB-CG 4.06Å; V67-E104 HydrophobicContact CG1-CG 3.98Å; R71-E104 IonicContact CZ-OE1 2.64Å; R71-E104 IonicContact NH1-OE1 2.77Å; R71-E104 IonicContact NH2-OE1 3.52Å; R71-E104 PolarHBondContact NH2-OE1 2.82Å
105T91Very high94.3Very high83 Ų8357.1 Ų57.151%0.50933%0.33SS..  trans-117.9158.4176.279.30000110.2H107T105-H107 PolarHBondContact O-N 3.15Å; T105-H107 VanDerWaalsContact O-N 3.14Å; T105-H107 PolarHBondContact OG1-N 2.91Å; T105-H107 PolarHBondContact OG1-O 2.79Å
106P89.8Confident94.1Very high88 Ų8861 Ų6157%0.57136%0.357SS*.SBendtrans-70.4-4.3178.227.7-33.9000113.6N125 V126P106-N125 WeakPolarHBondContact O-CA 3.45Å; P106-V126 PolarHBondContact O-N 2.87Å
107H93.1Very high93.7Very high69 Ų6962.3 Ų62.332%0.31938%0.378SS..EExtended strand (participates in β ladder)trans-118.3151.2-178.4-52.9105.2000110.9T105 L123 E124 N125T105-H107 PolarHBondContact O-N 3.15Å; T105-H107 VanDerWaalsContact O-N 3.14Å; T105-H107 PolarHBondContact OG1-N 2.91Å; T105-H107 PolarHBondContact OG1-O 2.79Å; H107-L123 HydrophobicContact CB-CD1 3.87Å; H107-E124 CarbonylContact C-O 3.48Å; H107-E124 WeakPolarHBondContact CA-O 3.32Å; H107-N125 PolarHBondContact CD2-OD1 2.99Å; H107-N125 PolarHBondContact NE2-OD1 2.73Å
108C95.5Very high93.6Very high7 Ų763.4 Ų63.45%0.04738%0.375CS..EExtended strand (participates in β ladder)trans-150.7171.6172.5650000110E124 V126C108-E124 PolarHBondContact N-O 2.76Å; C108-E124 PolarHBondContact O-N 3.47Å; C108-V126 HydrophobicContact CB-CG2 4.23Å
109H97.6Very high93.7Very high33 Ų3357.6 Ų57.615%0.15335%0.351CS..EExtended strand (participates in β ladder)trans-102.2136.6171.2-63.184.1000110.6F63 P64 P65 L122F63-H109 HydrophobicContact CB-CB 3.75Å; F63-H109 AromaticContact CD1-CD2 3.61Å; F63-H109 AromaticContact CD1-NE2 3.72Å; P64-H109 PolarHBondContact O-N 3.29Å; P64-H109 VanDerWaalsContact O-N 3.08Å; P65-H109 WeakPolarHBondContact CA-O 3.5Å; H109-L122 VanDerWaalsContact CA-O 3.24Å; H109-L122 WeakPolarHBondContact CA-O 3.48Å
110K98.1Very high93.8Very high36 Ų3657.3 Ų57.316%0.15735%0.35CS..EExtended strand (participates in β ladder)trans-107.6143.4157.5-67.5-174-169148.60109F21 S22 M23 Y112 S121 L122 E124F21-K110 CarbonylContact O-C 3.59Å; F21-K110 VanDerWaalsContact O-CA 3.28Å; F21-K110 WeakPolarHBondContact O-CA 3.47Å; S22-K110 WeakPolarHBondContact O-CD 3.48Å; M23-K110 HydrophobicContact CB-CG 4.47Å; M23-K110 HydrophobicContact CG-CG 4.24Å; M23-K110 HydrophobicContact SD-CG 4Å; K110-Y112 HydrophobicContact CB-CE2 3.91Å; K110-Y112 WeakPolarHBondContact CD-OH 3.42Å; K110-S121 CarbonylContact O-C 3.53Å; K110-S121 WeakPolarHBondContact O-CA 3.43Å; K110-L122 PolarHBondContact N-O 3.08Å; K110-L122 PolarHBondContact O-N 2.94Å; K110-E124 WeakPolarHBondContact CD-OE2 3.35Å; K110-E124 WeakPolarHBondContact CE-OE2 3.13Å; K110-E124 IonicContact NZ-OE2 3.73Å; K110-E124 PolarHBondContact NZ-OE2 2.98Å
111S98.2Very high94.1Very high1 Ų153 Ų531%0.00732%0.323CS..EExtended strand (participates in β ladder)trans-127.3139.7177.3-54.10000111.9F21 I120 S121F21-S111 CarbonylContact C-O 3.25Å; F21-S111 WeakPolarHBondContact CB-O 3.46Å; F21-S111 PolarHBondContact O-N 2.81Å; S111-I120 CarbonylContact C-O 3.56Å; S111-I120 WeakPolarHBondContact CA-O 3.32Å; S111-S121 WeakPolarHBondContact OG-CB 3.4Å; S111-S121 PolarHBondContact OG-OG 2.9Å
112Y97.9Very high94.5Very high7 Ų749.7 Ų49.73%0.02729%0.29CS..EExtended strand (participates in β ladder)trans-124.3122.5-175.2-58.1-84.5000109K110 A119 I120 L122 T138 L143 L170 F305K110-Y112 HydrophobicContact CB-CE2 3.91Å; K110-Y112 WeakPolarHBondContact CD-OH 3.42Å; Y112-A119 CarbonylContact O-C 3.4Å; Y112-A119 WeakPolarHBondContact O-CA 3.46Å; Y112-I120 PolarHBondContact N-O 2.81Å; Y112-I120 PolarHBondContact O-N 2.99Å; Y112-L122 HydrophobicContact CD2-CD1 4.36Å; Y112-L122 HydrophobicContact CE2-CD1 4.02Å; Y112-T138 WeakPolarHBondContact OH-CB 3.4Å; Y112-L143 HydrophobicContact CD1-CD2 3.52Å; Y112-L143 HydrophobicContact CE1-CD1 4.4Å; Y112-L143 HydrophobicContact CE1-CD2 3.33Å; Y112-L143 HydrophobicContact CE1-CG 4.44Å; Y112-L143 HydrophobicContact CG-CD2 4.41Å; Y112-L170 HydrophobicContact CD2-CD1 3.58Å; Y112-L170 HydrophobicContact CE2-CD1 4.06Å; Y112-L170 HydrophobicContact CG-CD1 3.94Å; Y112-F305 HydrophobicContact CD1-CD1 4.3Å
113F96.7Very high94.8Very high34 Ų3447.5 Ų47.515%0.14928%0.275CS..EExtended strand (participates in β ladder)trans-84.4130.2-176.5-67.4-90.4000110.8R17 F21 L59 A119 F305R17-F113 HydrophobicContact CG-CE2 3.73Å; R17-F113 HydrophobicContact CG-CZ 3.69Å; F21-F113 HydrophobicContact CB-CE2 3.95Å; F21-F113 AromaticContact CD2-CE2 3.63Å; F21-F113 HydrophobicContact CD2-CE2 3.63Å; F21-F113 AromaticContact CD2-CZ 3.71Å; F21-F113 HydrophobicContact CD2-CZ 3.71Å; F21-F113 HydrophobicContact CE2-CE2 4.47Å; F21-F113 HydrophobicContact CE2-CZ 4.12Å; F21-F113 AromaticContact CG-CE2 3.99Å; F21-F113 HydrophobicContact CG-CE2 3.99Å; F21-F113 HydrophobicContact CG-CZ 4.26Å; L59-F113 HydrophobicContact CD2-CE1 4.11Å; L59-F113 HydrophobicContact CD2-CZ 3.74Å; F113-A119 HydrophobicContact CD1-CB 4.16Å; F113-A119 HydrophobicContact CE1-CB 4.21Å; F113-F305 WeakPolarHBondContact O-CE1 3.48Å
114L95.8Very high95Very high8 Ų839.6 Ų39.64%0.04224%0.238CC..  trans-84.7157.8174-65.3174.8000110.6S116 G117 D118 I120 L150 T174 R177 F305L114-S116 PolarHBondContact O-N 2.81Å; L114-S116 VanDerWaalsContact O-N 3.08Å; L114-G117 PolarHBondContact O-N 3.48Å; L114-D118 HydrophobicContact CD1-CB 4.44Å; L114-D118 PolarHBondContact N-O 3.35Å; L114-I120 HydrophobicContact CD1-CD1 4.07Å; L114-I120 HydrophobicContact CD1-CG1 4.04Å; L114-I120 HydrophobicContact CD2-CD1 3.79Å; L114-I120 HydrophobicContact CD2-CG1 4.43Å; L114-I120 HydrophobicContact CG-CD1 4.11Å; L114-I120 HydrophobicContact CG-CG1 4.22Å; L114-L150 HydrophobicContact CD2-CD1 4.46Å; L114-L150 HydrophobicContact CD2-CD2 4.47Å; L114-T174 HydrophobicContact CD2-CG2 3.98Å; L114-R177 HydrophobicContact CD1-CB 4.22Å; L114-F305 HydrophobicContact CD2-CE1 4.44Å; L114-F305 HydrophobicContact CD2-CZ 4.04Å
115P92.9Very high95Very high94 Ų9435.4 Ų35.461%0.6122%0.219SC*.THydrogen-bonded Turntrans-57.9-22.9174.1-2635.7000114.2G117 L150 V304P115-G117 PolarHBondContact O-N 3.39Å; P115-L150 HydrophobicContact CG-CD1 4.18Å; P115-V304 HydrophobicContact CG-CG1 4.07Å; P115-V304 HydrophobicContact CG-CG2 4.15Å
116S90.9Very high94.8Very high85 Ų8535 Ų3559%0.59422%0.216SC*.THydrogen-bonded Turntrans-70.5-11.817560.50000114.1L114 D118L114-S116 PolarHBondContact O-N 2.81Å; L114-S116 VanDerWaalsContact O-N 3.08Å; S116-D118 VanDerWaalsContact C-N 3.35Å
117G89.6Confident94.3Very high59 Ų5933.3 Ų33.361%0.60821%0.21SC*.SBendtrans93.1-13.3-173.600000114.1L114 P115L114-G117 PolarHBondContact O-N 3.48Å; P115-G117 PolarHBondContact O-N 3.39Å
118D92.4Very high93.3Very high86 Ų8633.8 Ų33.846%0.4622%0.218SC..  trans-71.3158.5172.7-75.2-26.2000112L114 S116 R177L114-D118 HydrophobicContact CD1-CB 4.44Å; L114-D118 PolarHBondContact N-O 3.35Å; S116-D118 VanDerWaalsContact C-N 3.35Å; D118-R177 IonicContact OD2-NH2 3.43Å; D118-R177 PolarHBondContact OD2-NH2 3.1Å
119A96.5Very high92.4Very high20 Ų2039.5 Ų39.517%0.16525%0.246CC..EExtended strand (participates in β ladder)trans-111.8143.7171.300000112.1L59 Y112 F113 R177L59-A119 HydrophobicContact CD1-CB 4.25Å; L59-A119 HydrophobicContact CD2-CB 3.72Å; Y112-A119 CarbonylContact O-C 3.4Å; Y112-A119 WeakPolarHBondContact O-CA 3.46Å; F113-A119 HydrophobicContact CD1-CB 4.16Å; F113-A119 HydrophobicContact CE1-CB 4.21Å; A119-R177 PolarHBondContact O-NH1 3.43Å
120I97.8Very high91Very high0 Ų038.9 Ų38.90%025%0.246CC..EExtended strand (participates in β ladder)trans-94.7119.3161.7-65.8170.5000107.1S111 Y112 L114 L122 L170 I173 T174 N204S111-I120 CarbonylContact C-O 3.56Å; S111-I120 WeakPolarHBondContact CA-O 3.32Å; Y112-I120 PolarHBondContact N-O 2.81Å; Y112-I120 PolarHBondContact O-N 2.99Å; L114-I120 HydrophobicContact CD1-CD1 4.07Å; L114-I120 HydrophobicContact CD1-CG1 4.04Å; L114-I120 HydrophobicContact CD2-CD1 3.79Å; L114-I120 HydrophobicContact CD2-CG1 4.43Å; L114-I120 HydrophobicContact CG-CD1 4.11Å; L114-I120 HydrophobicContact CG-CG1 4.22Å; I120-L122 HydrophobicContact CG2-CD2 3.98Å; I120-L122 HydrophobicContact CG2-CG 4.16Å; I120-L170 HydrophobicContact CG2-CD1 4.24Å; I120-I173 HydrophobicContact CD1-CG2 4.04Å; I120-I173 HydrophobicContact CG1-CG2 4.03Å; I120-I173 HydrophobicContact CG2-CB 4.39Å; I120-I173 HydrophobicContact CG2-CG2 3.77Å; I120-T174 HydrophobicContact CD1-CG2 4.44Å; I120-T174 WeakPolarHBondContact CD1-OG1 3.46Å; I120-N204 WeakPolarHBondContact CA-OD1 3.33Å
121S98.2Very high89.6Confident2 Ų243.2 Ų43.21%0.01427%0.266CS..EExtended strand (participates in β ladder)trans-109.2134.9177.4-62.70000109.4F63 K110 S111 L203 N204F63-S121 WeakPolarHBondContact CD2-OG 3.45Å; K110-S121 CarbonylContact O-C 3.53Å; K110-S121 WeakPolarHBondContact O-CA 3.43Å; S111-S121 WeakPolarHBondContact OG-CB 3.4Å; S111-S121 PolarHBondContact OG-OG 2.9Å; S121-L203 VanDerWaalsContact O-CD2 3.28Å; S121-L203 WeakPolarHBondContact O-CD2 3.43Å; S121-N204 PolarHBondContact N-OD1 2.92Å; S121-N204 PolarHBondContact O-ND2 3.31Å
122L98.3Very high88.3Confident0 Ų046.7 Ų46.70%030%0.303CS..EExtended strand (participates in β ladder)trans-126.9128.9-177.6-58176.5000109.1H109 K110 Y112 I120 E124 V168 L170 I173 N200H109-L122 VanDerWaalsContact CA-O 3.24Å; H109-L122 WeakPolarHBondContact CA-O 3.48Å; K110-L122 PolarHBondContact N-O 3.08Å; K110-L122 PolarHBondContact O-N 2.94Å; Y112-L122 HydrophobicContact CD2-CD1 4.36Å; Y112-L122 HydrophobicContact CE2-CD1 4.02Å; I120-L122 HydrophobicContact CG2-CD2 3.98Å; I120-L122 HydrophobicContact CG2-CG 4.16Å; L122-E124 HydrophobicContact CB-CG 4.2Å; L122-E124 PolarHBondContact O-N 2.86Å; L122-V168 HydrophobicContact CD1-CG2 4.02Å; L122-L170 HydrophobicContact CD1-CB 3.69Å; L122-L170 HydrophobicContact CD1-CD1 3.92Å; L122-L170 HydrophobicContact CD1-CG 4.37Å; L122-I173 HydrophobicContact CD2-CD1 3.65Å; L122-N200 HydrophobicContact CD2-CB 3.92Å
123L97.5Very high87.4Confident21 Ų2147 Ų4711%0.1131%0.305CS..EExtended strand (participates in β ladder)trans-72.2119.1163.4-17468000108.3H107 E199 N200H107-L123 HydrophobicContact CB-CD1 3.87Å; L123-E199 WeakPolarHBondContact CD2-OE2 3.19Å; L123-N200 WeakPolarHBondContact CB-OD1 3.41Å; L123-N200 PolarHBondContact N-OD1 3.03Å; L123-N200 PolarHBondContact O-ND2 2.65Å
124E95.8Very high86.6Confident0 Ų047.3 Ų47.30%031%0.31CS..EExtended strand (participates in β ladder)trans-127.4155-178.8-65.8-169-160.100111H107 C108 K110 L122 L136 V137 T138 V168H107-E124 CarbonylContact C-O 3.48Å; H107-E124 WeakPolarHBondContact CA-O 3.32Å; C108-E124 PolarHBondContact N-O 2.76Å; C108-E124 PolarHBondContact O-N 3.47Å; K110-E124 WeakPolarHBondContact CD-OE2 3.35Å; K110-E124 WeakPolarHBondContact CE-OE2 3.13Å; K110-E124 IonicContact NZ-OE2 3.73Å; K110-E124 PolarHBondContact NZ-OE2 2.98Å; L122-E124 HydrophobicContact CB-CG 4.2Å; L122-E124 PolarHBondContact O-N 2.86Å; E124-L136 WeakPolarHBondContact CA-O 3.46Å; E124-V137 WeakPolarHBondContact OE2-CA 3.35Å; E124-T138 VanDerWaalsContact OE1-CB 3.24Å; E124-T138 WeakPolarHBondContact OE1-CB 3.15Å; E124-T138 PolarHBondContact OE1-OG1 3.48Å; E124-T138 PolarHBondContact OE2-N 3.3Å; E124-T138 VanDerWaalsContact OE2-N 3.09Å; E124-V168 HydrophobicContact CG-CG1 4.29Å; E124-V168 HydrophobicContact CG-CG2 4.44Å
125N91.8Very high85.9Confident10 Ų1047.4 Ų47.45%0.05331%0.313CS..EExtended strand (participates in β ladder)trans-74144.9167.7-75.929.7000109.9P106 H107 A127 S130 L136 V137 K196P106-N125 WeakPolarHBondContact O-CA 3.45Å; H107-N125 PolarHBondContact CD2-OD1 2.99Å; H107-N125 PolarHBondContact NE2-OD1 2.73Å; N125-A127 VanDerWaalsContact C-N 3.3Å; N125-S130 WeakPolarHBondContact ND2-CB 3.49Å; N125-S130 PolarHBondContact ND2-OG 2.81Å; N125-L136 HydrophobicContact CB-CB 4.06Å; N125-L136 PolarHBondContact N-O 2.86Å; N125-L136 WeakPolarHBondContact ND2-CD1 3.4Å; N125-V137 VanDerWaalsContact O-CG1 3.31Å; N125-V137 WeakPolarHBondContact O-CG1 3.4Å; N125-K196 WeakPolarHBondContact OD1-CE 3.25Å; N125-K196 PolarHBondContact OD1-NZ 2.68Å
126V85.6Confident85.6Confident74 Ų7443 Ų4345%0.44828%0.284SS..SBendtrans-69.7-34.2173.6177.50000110.6P106 C108P106-V126 PolarHBondContact O-N 2.87Å; C108-V126 HydrophobicContact CB-CG2 4.23Å
127A79.6Confident85.7Confident54 Ų5439.5 Ų39.545%0.44626%0.259SS..SBendtrans-87.4130.5176.700000111.6N125 I129 S130N125-A127 VanDerWaalsContact C-N 3.3Å; A127-I129 PolarHBondContact O-N 2.89Å; A127-S130 PolarHBondContact O-OG 3.14Å
128V73.2Confident85.9Confident79 Ų7937.6 Ų37.648%0.47924%0.236SC..SBendtrans-62.8-40.2-178.8177.20000112.5V137 W139V128-V137 HydrophobicContact CG1-CG2 4.3Å; V128-W139 HydrophobicContact CG1-CH2 3.57Å; V128-W139 HydrophobicContact CG1-CZ2 3.69Å
129I75.9Confident86Confident127 Ų12736.9 Ų36.965%0.65123%0.227SC*.SBendtrans-110.8118.5172.9-57.6173.3000106.8A127 T134A127-I129 PolarHBondContact O-N 2.89Å; I129-T134 HydrophobicContact CG1-CG2 4.17Å
130S67.9Low85.9Confident20 Ų2038.6 Ų38.614%0.1423%0.231CC..BIsolated β-bridgetrans-150148.6177.446.60000109.5N125 A127 G132 T133N125-S130 WeakPolarHBondContact ND2-CB 3.49Å; N125-S130 PolarHBondContact ND2-OG 2.81Å; A127-S130 PolarHBondContact O-OG 3.14Å; S130-G132 PolarHBondContact O-N 3.47Å; S130-T133 PolarHBondContact N-O 2.95Å; S130-T133 WeakPolarHBondContact O-CG2 3.44Å; S130-T133 PolarHBondContact O-N 2.91Å
131E69.4Low85.8Confident126 Ų12638.6 Ų38.659%0.58923%0.231SC*.THydrogen-bonded Turntrans55.628.4177.9-56.5172-126.800113.7T133 L136 A192E131-T133 VanDerWaalsContact C-N 3.27Å; E131-T133 PolarHBondContact O-N 2.91Å; E131-L136 HydrophobicContact CB-CD1 4.31Å; E131-L136 HydrophobicContact CG-CD1 4.41Å; E131-A192 VanDerWaalsContact OE2-CB 3.28Å; E131-A192 WeakPolarHBondContact OE2-CB 3.45Å
132G70.8Confident85.8Confident75 Ų7539.1 Ų39.177%0.77324%0.236SC*.THydrogen-bonded Turntrans73.911.3-179.200000115S130S130-G132 PolarHBondContact O-N 3.47Å
133T79Confident85.7Confident12 Ų1239.7 Ų39.77%0.07424%0.239CC..BIsolated β-bridgetrans-133.1160.4-178-176.50000112.2S130 E131 G135 L136 V193S130-T133 PolarHBondContact N-O 2.95Å; S130-T133 WeakPolarHBondContact O-CG2 3.44Å; S130-T133 PolarHBondContact O-N 2.91Å; E131-T133 VanDerWaalsContact C-N 3.27Å; E131-T133 PolarHBondContact O-N 2.91Å; T133-G135 PolarHBondContact OG1-N 3.28Å; T133-G135 VanDerWaalsContact OG1-N 3.13Å; T133-L136 HydrophobicContact CG2-CD1 3.88Å; T133-L136 HydrophobicContact CG2-CG 3.84Å; T133-V193 HydrophobicContact CG2-CG2 3.89Å
134T80.3Confident85.8Confident42 Ų4240.1 Ų40.126%0.25824%0.239SC..SBendtrans-103.8-2.7171.949.60000112.5I129 L136 W139I129-T134 HydrophobicContact CG1-CG2 4.17Å; T134-L136 VanDerWaalsContact C-N 3.27Å; T134-L136 PolarHBondContact O-N 3.21Å; T134-W139 HydrophobicContact CG2-CZ2 4.04Å; T134-W139 PolarHBondContact O-NE1 2.88Å
135G79.6Confident85.9Confident10 Ų1040.1 Ų40.110%0.10324%0.239CC..THydrogen-bonded Turntrans-79.73.3-173.500000115.5T133 G167 V168T133-G135 PolarHBondContact OG1-N 3.28Å; T133-G135 VanDerWaalsContact OG1-N 3.13Å; G135-G167 CarbonylContact O-C 3.59Å; G135-G167 VanDerWaalsContact O-C 3.25Å; G135-G167 WeakPolarHBondContact O-CA 3.36Å; G135-V168 PolarHBondContact O-N 3.09Å
136L87.4Confident86.2Confident1 Ų139.7 Ų39.71%0.00524%0.237CC..THydrogen-bonded Turntrans-97.27.9-176.4-55.8176.5000113.5E124 N125 E131 T133 T134 V193 K196E124-L136 WeakPolarHBondContact CA-O 3.46Å; N125-L136 HydrophobicContact CB-CB 4.06Å; N125-L136 PolarHBondContact N-O 2.86Å; N125-L136 WeakPolarHBondContact ND2-CD1 3.4Å; E131-L136 HydrophobicContact CB-CD1 4.31Å; E131-L136 HydrophobicContact CG-CD1 4.41Å; T133-L136 HydrophobicContact CG2-CD1 3.88Å; T133-L136 HydrophobicContact CG2-CG 3.84Å; T134-L136 VanDerWaalsContact C-N 3.27Å; T134-L136 PolarHBondContact O-N 3.21Å; L136-V193 HydrophobicContact CD2-CB 4.33Å; L136-V193 HydrophobicContact CD2-CG2 3.79Å; L136-V193 HydrophobicContact CG-CG2 4.35Å; L136-K196 HydrophobicContact CB-CD 4.48Å; L136-K196 HydrophobicContact CD2-CB 4.29Å; L136-K196 HydrophobicContact CD2-CD 3.9Å
137V92.4Very high86.7Confident11 Ų1136.1 Ų36.17%0.06722%0.215CC..SBendtrans-136.1157.8175.3-59.40000110.6E124 N125 V128 W139E124-V137 WeakPolarHBondContact OE2-CA 3.35Å; N125-V137 VanDerWaalsContact O-CG1 3.31Å; N125-V137 WeakPolarHBondContact O-CG1 3.4Å; V128-V137 HydrophobicContact CG1-CG2 4.3Å; V137-W139 HydrophobicContact CG2-CZ2 4.24Å
138T94.1Very high87.6Confident19 Ų1934.4 Ų34.412%0.11720%0.197CC..  trans-78.5135.2173.1-66.50000111.5Y112 E124 L143 V168 L170Y112-T138 WeakPolarHBondContact OH-CB 3.4Å; E124-T138 VanDerWaalsContact OE1-CB 3.24Å; E124-T138 WeakPolarHBondContact OE1-CB 3.15Å; E124-T138 PolarHBondContact OE1-OG1 3.48Å; E124-T138 PolarHBondContact OE2-N 3.3Å; E124-T138 VanDerWaalsContact OE2-N 3.09Å; T138-L143 HydrophobicContact CG2-CD1 4.16Å; T138-L143 HydrophobicContact CG2-CD2 4.3Å; T138-L143 HydrophobicContact CG2-CG 3.94Å; T138-V168 WeakPolarHBondContact OG1-CG2 3.48Å; T138-L170 HydrophobicContact CG2-CB 4.39Å; T138-L170 HydrophobicContact CG2-CD2 3.44Å; T138-L170 VanDerWaalsContact CG2-CD2 3.44Å; T138-L170 HydrophobicContact CG2-CG 4.5Å
139W94.4Very high88.8Confident72 Ų7230.7 Ų30.727%0.27318%0.175SC..  trans-107.3157.1176.6-67.694.6000112.9V128 T134 V137 A141 A142 L143 D241V128-W139 HydrophobicContact CG1-CH2 3.57Å; V128-W139 HydrophobicContact CG1-CZ2 3.69Å; T134-W139 HydrophobicContact CG2-CZ2 4.04Å; T134-W139 PolarHBondContact O-NE1 2.88Å; V137-W139 HydrophobicContact CG2-CZ2 4.24Å; W139-A141 PolarHBondContact O-N 2.99Å; W139-A142 VanDerWaalsContact O-CB 3.31Å; W139-A142 WeakPolarHBondContact O-CB 3.28Å; W139-A142 PolarHBondContact O-N 3.45Å; W139-L143 PolarHBondContact O-N 3.32Å; W139-D241 HydrophobicContact CB-CB 4.02Å; W139-D241 WeakPolarHBondContact CB-OD2 3.21Å; W139-D241 HydrophobicContact CG-CB 4.47Å
140E94.3Very high89.8Confident55 Ų5526.3 Ų26.326%0.25715%0.153SC..Hα-helixtrans-61.5-39.5-173.8-64.3179.5139.600113.3A142 L143 Y144 D308 I313E140-A142 PolarHBondContact O-N 2.91Å; E140-L143 WeakPolarHBondContact O-CB 3.31Å; E140-L143 PolarHBondContact O-N 3.11Å; E140-L143 VanDerWaalsContact O-N 3.14Å; E140-Y144 PolarHBondContact O-N 3.43Å; E140-D308 WeakPolarHBondContact OE1-CB 3.3Å; E140-I313 HydrophobicContact CB-CD1 4.06Å
141A96.4Very high91.2Very high0 Ų028.1 Ų28.10%016%0.159CC..Hα-helixtrans-62.6-27.7176.300000112.5W139 L145 D241 C271 T273W139-A141 PolarHBondContact O-N 2.99Å; A141-L145 VanDerWaalsContact O-CB 3.24Å; A141-L145 WeakPolarHBondContact O-CB 3.43Å; A141-L145 PolarHBondContact O-N 2.92Å; A141-D241 HydrophobicContact CB-CB 3.85Å; A141-C271 HydrophobicContact CB-CB 4.35Å; A141-T273 PolarHBondContact N-OG1 3.03Å
142A97.7Very high92.5Very high13 Ų1323.9 Ų23.911%0.10714%0.14CC..Hα-helixtrans-71.2-4117500000111.3W139 E140 L145 A146 L170 T171 A240W139-A142 VanDerWaalsContact O-CB 3.31Å; W139-A142 WeakPolarHBondContact O-CB 3.28Å; W139-A142 PolarHBondContact O-N 3.45Å; E140-A142 PolarHBondContact O-N 2.91Å; A142-L145 PolarHBondContact O-N 3.29Å; A142-A146 WeakPolarHBondContact O-CB 3.36Å; A142-A146 PolarHBondContact O-N 3.44Å; A142-L170 HydrophobicContact CB-CD2 4.39Å; A142-T171 PolarHBondContact O-OG1 2.79Å; A142-A240 HydrophobicContact CB-CB 3.9Å
143L97.5Very high93.7Very high12 Ų1222.5 Ų22.56%0.06312%0.117CC..Hα-helixtrans-62.8-45.2173.8-68160000110.9Y112 T138 W139 E140 A146 E147 L170 F305 Y307Y112-L143 HydrophobicContact CD1-CD2 3.52Å; Y112-L143 HydrophobicContact CE1-CD1 4.4Å; Y112-L143 HydrophobicContact CE1-CD2 3.33Å; Y112-L143 HydrophobicContact CE1-CG 4.44Å; Y112-L143 HydrophobicContact CG-CD2 4.41Å; T138-L143 HydrophobicContact CG2-CD1 4.16Å; T138-L143 HydrophobicContact CG2-CD2 4.3Å; T138-L143 HydrophobicContact CG2-CG 3.94Å; W139-L143 PolarHBondContact O-N 3.32Å; E140-L143 WeakPolarHBondContact O-CB 3.31Å; E140-L143 PolarHBondContact O-N 3.11Å; E140-L143 VanDerWaalsContact O-N 3.14Å; L143-A146 PolarHBondContact O-N 3.06Å; L143-E147 WeakPolarHBondContact O-CB 3.47Å; L143-E147 PolarHBondContact O-N 3.46Å; L143-L170 HydrophobicContact CB-CD2 4.47Å; L143-L170 HydrophobicContact CD2-CD2 3.32Å; L143-L170 HydrophobicContact CG-CD2 3.71Å; L143-F305 HydrophobicContact CB-CB 4.31Å; L143-F305 HydrophobicContact CD2-CB 3.73Å; L143-F305 HydrophobicContact CD2-CD2 4.39Å; L143-F305 HydrophobicContact CD2-CG 4.02Å; L143-Y307 HydrophobicContact CB-CD1 3.62Å; L143-Y307 HydrophobicContact CB-CE1 4.07Å; L143-Y307 HydrophobicContact CB-CG 4.17Å; L143-Y307 HydrophobicContact CD1-CD1 4.48Å
144Y97.7Very high94.6Very high31 Ų3127.1 Ų27.112%0.12214%0.138CC..Hα-helixtrans-61.2-48.5176.7-175.1-76.1000112.2E140 E147 W148 C271 G299 P300 Y307 I313 L315E140-Y144 PolarHBondContact O-N 3.43Å; Y144-E147 PolarHBondContact O-N 3.19Å; Y144-W148 WeakPolarHBondContact O-CB 3.37Å; Y144-W148 PolarHBondContact O-N 3.33Å; Y144-C271 VanDerWaalsContact CD1-SG 3.52Å; Y144-G299 WeakPolarHBondContact OH-CA 3.29Å; Y144-P300 HydrophobicContact CD1-CG 4.26Å; Y144-P300 HydrophobicContact CD2-CG 4.18Å; Y144-P300 HydrophobicContact CE1-CG 4.25Å; Y144-P300 HydrophobicContact CE2-CG 4.2Å; Y144-P300 HydrophobicContact CG-CG 4.24Å; Y144-Y307 HydrophobicContact CD2-CE2 4.04Å; Y144-Y307 VanDerWaalsContact CD2-OH 3.29Å; Y144-Y307 WeakPolarHBondContact CD2-OH 3.29Å; Y144-I313 HydrophobicContact CD1-CG2 3.88Å; Y144-I313 HydrophobicContact CD2-CB 3.88Å; Y144-I313 HydrophobicContact CD2-CD1 3.89Å; Y144-I313 HydrophobicContact CD2-CG1 4.49Å; Y144-I313 HydrophobicContact CD2-CG2 3.63Å; Y144-I313 HydrophobicContact CE1-CG2 4.16Å; Y144-I313 HydrophobicContact CE2-CB 3.99Å; Y144-I313 HydrophobicContact CE2-CG2 3.91Å; Y144-I313 HydrophobicContact CG-CB 4.35Å; Y144-I313 HydrophobicContact CG-CD1 4.29Å; Y144-I313 HydrophobicContact CG-CG2 3.59Å; Y144-L315 HydrophobicContact CE1-CB 4.02Å
145L98.1Very high95.4Very high0 Ų025.7 Ų25.70%013%0.129CC..Hα-helixtrans-68.1-36.7-179.4-175.554.4000112A141 A142 E147 W148 A149 T171 I238 A240 C271 L315A141-L145 VanDerWaalsContact O-CB 3.24Å; A141-L145 WeakPolarHBondContact O-CB 3.43Å; A141-L145 PolarHBondContact O-N 2.92Å; A142-L145 PolarHBondContact O-N 3.29Å; L145-E147 VanDerWaalsContact C-N 3.34Å; L145-W148 HydrophobicContact CD1-CE3 4.36Å; L145-W148 PolarHBondContact O-N 3.46Å; L145-A149 WeakPolarHBondContact O-CB 3.47Å; L145-A149 PolarHBondContact O-N 2.94Å; L145-T171 HydrophobicContact CB-CG2 4.07Å; L145-T171 HydrophobicContact CD2-CG2 4.01Å; L145-T171 HydrophobicContact CG-CG2 3.75Å; L145-I238 HydrophobicContact CD2-CB 4.1Å; L145-A240 HydrophobicContact CD2-CB 4.1Å; L145-C271 HydrophobicContact CB-CB 3.93Å; L145-C271 HydrophobicContact CD1-CB 4.4Å; L145-C271 HydrophobicContact CD2-CB 3.98Å; L145-C271 HydrophobicContact CG-CB 4.33Å; L145-L315 HydrophobicContact CD1-CD1 3.85Å; L145-L315 HydrophobicContact CD1-CD2 4.46Å
146A98.1Very high96.3Very high0 Ų025.2 Ų25.20%012%0.124CC..Hα-helixtrans-61.8-43.7174.100000111A142 L143 A149 L150 T171 T174 F305A142-A146 WeakPolarHBondContact O-CB 3.36Å; A142-A146 PolarHBondContact O-N 3.44Å; L143-A146 PolarHBondContact O-N 3.06Å; A146-A149 WeakPolarHBondContact O-CB 3.3Å; A146-A149 PolarHBondContact O-N 3.47Å; A146-L150 WeakPolarHBondContact O-CG 3.4Å; A146-L150 PolarHBondContact O-N 2.78Å; A146-L150 VanDerWaalsContact O-N 3.12Å; A146-T171 HydrophobicContact CB-CG2 4.36Å; A146-T174 HydrophobicContact CB-CG2 4.08Å; A146-F305 HydrophobicContact CB-CD2 4.22Å; A146-F305 HydrophobicContact CB-CE2 3.62Å
147E97.1Very high96.8Very high0 Ų028.8 Ų28.80%015%0.146CC..Hα-helixtrans-65.9-43.7176.4-166.7172.884.400112.3L143 Y144 L145 A149 L150 E151 P300 V304 F305 Y307 R309L143-E147 WeakPolarHBondContact O-CB 3.47Å; L143-E147 PolarHBondContact O-N 3.46Å; Y144-E147 PolarHBondContact O-N 3.19Å; L145-E147 VanDerWaalsContact C-N 3.34Å; E147-A149 PolarHBondContact O-N 3.08Å; E147-L150 WeakPolarHBondContact O-CB 3.36Å; E147-L150 PolarHBondContact O-N 3.29Å; E147-L150 VanDerWaalsContact O-N 3.12Å; E147-E151 PolarHBondContact O-N 3.48Å; E147-P300 HydrophobicContact CB-CB 4.14Å; E147-P300 HydrophobicContact CB-CG 4.18Å; E147-P300 HydrophobicContact CG-CB 3.83Å; E147-P300 HydrophobicContact CG-CG 4.25Å; E147-P300 WeakPolarHBondContact OE1-CG 3.24Å; E147-V304 HydrophobicContact CG-CB 4.14Å; E147-V304 HydrophobicContact CG-CG2 4.1Å; E147-V304 WeakPolarHBondContact OE2-CA 3.46Å; E147-V304 PolarHBondContact OE2-N 2.98Å; E147-F305 HydrophobicContact CB-CD2 4.12Å; E147-F305 PolarHBondContact OE2-N 3.49Å; E147-Y307 PolarHBondContact OE1-OH 3.23Å; E147-R309 IonicContact OE1-CZ 2.8Å; E147-R309 IonicContact OE1-NH1 3.84Å; E147-R309 PolarHBondContact OE1-NH1 3.12Å; E147-R309 IonicContact OE1-NH2 3.42Å; E147-R309 PolarHBondContact OE1-NH2 3.06Å; E147-R309 IonicContact OE2-CZ 3.77Å; E147-R309 IonicContact OE2-NH1 2.63Å; E147-R309 IonicContact OE2-NH2 3.16Å; E147-R309 PolarHBondContact OE2-NH2 2.86Å
148W97.9Very high97Very high18 Ų1830.8 Ų30.87%0.06817%0.169CC..Hα-helixtrans-58.7-38.2173.5-17492.2000111.9Y144 L145 L150 E151 N152 V155 F156 L269 L297 T298 P300 L315Y144-W148 WeakPolarHBondContact O-CB 3.37Å; Y144-W148 PolarHBondContact O-N 3.33Å; L145-W148 HydrophobicContact CD1-CE3 4.36Å; L145-W148 PolarHBondContact O-N 3.46Å; W148-L150 VanDerWaalsContact C-N 3.35Å; W148-L150 PolarHBondContact O-N 3Å; W148-E151 PolarHBondContact O-N 3.24Å; W148-N152 HydrophobicContact CD2-CB 4.31Å; W148-N152 VanDerWaalsContact CE2-ND2 3.33Å; W148-N152 HydrophobicContact CE3-CB 4.07Å; W148-N152 HydrophobicContact CH2-CB 3.85Å; W148-N152 HydrophobicContact CZ2-CB 4.07Å; W148-N152 HydrophobicContact CZ3-CB 3.83Å; W148-N152 PolarHBondContact NE1-ND2 3.46Å; W148-N152 WeakPolarHBondContact O-CB 3.49Å; W148-N152 PolarHBondContact O-N 2.82Å; W148-N152 PolarHBondContact O-ND2 3.07Å; W148-V155 HydrophobicContact CH2-CG1 4.48Å; W148-V155 HydrophobicContact CH2-CG2 3.94Å; W148-V155 HydrophobicContact CZ3-CB 4.46Å; W148-V155 HydrophobicContact CZ3-CG1 4.42Å; W148-V155 HydrophobicContact CZ3-CG2 4.31Å; W148-F156 HydrophobicContact CZ3-CE2 4.23Å; W148-F156 HydrophobicContact CZ3-CZ 4.32Å; W148-L269 HydrophobicContact CE3-CD1 4.35Å; W148-L269 HydrophobicContact CH2-CD1 3.7Å; W148-L269 HydrophobicContact CZ3-CD1 3.46Å; W148-L269 VanDerWaalsContact CZ3-CD1 3.46Å; W148-L297 HydrophobicContact CH2-CD1 4.46Å; W148-L297 HydrophobicContact CZ2-CD1 3.95Å; W148-T298 PolarHBondContact NE1-O 3.47Å; W148-T298 VanDerWaalsContact NE1-O 3.07Å; W148-P300 HydrophobicContact CB-CB 4.32Å; W148-P300 HydrophobicContact CB-CG 4.37Å; W148-L315 HydrophobicContact CB-CD2 4.37Å; W148-L315 HydrophobicContact CD2-CD2 3.56Å; W148-L315 HydrophobicContact CE3-CD2 4.26Å; W148-L315 HydrophobicContact CG-CD2 3.58Å; W148-L315 HydrophobicContact CZ2-CD2 4.21Å
149A98Very high97.2Very high0 Ų033.4 Ų33.40%018%0.177CC..Hα-helixtrans-67.1-33.9177.300000113.2L145 A146 E147 E151 N152 F156 V175 C179L145-A149 WeakPolarHBondContact O-CB 3.47Å; L145-A149 PolarHBondContact O-N 2.94Å; A146-A149 WeakPolarHBondContact O-CB 3.3Å; A146-A149 PolarHBondContact O-N 3.47Å; E147-A149 PolarHBondContact O-N 3.08Å; A149-E151 VanDerWaalsContact C-N 3.28Å; A149-E151 PolarHBondContact O-N 3.23Å; A149-N152 CarbonylContact O-C 3.55Å; A149-N152 PolarHBondContact O-N 3.09Å; A149-F156 HydrophobicContact CB-CD2 4.23Å; A149-F156 HydrophobicContact CB-CE2 3.44Å; A149-F156 VanDerWaalsContact CB-CE2 3.44Å; A149-F156 HydrophobicContact CB-CZ 3.81Å; A149-V175 HydrophobicContact CB-CG2 3.81Å; A149-C179 PolarHBondContact O-SG 3.43Å
150L97.4Very high97.3Very high36 Ų3630.6 Ų30.619%0.18817%0.168CC..Hα-helixtrans-65-32.6173.5-66.9174.2000112L114 P115 A146 E147 W148 T174 V304 F305L114-L150 HydrophobicContact CD2-CD1 4.46Å; L114-L150 HydrophobicContact CD2-CD2 4.47Å; P115-L150 HydrophobicContact CG-CD1 4.18Å; A146-L150 WeakPolarHBondContact O-CG 3.4Å; A146-L150 PolarHBondContact O-N 2.78Å; A146-L150 VanDerWaalsContact O-N 3.12Å; E147-L150 WeakPolarHBondContact O-CB 3.36Å; E147-L150 PolarHBondContact O-N 3.29Å; E147-L150 VanDerWaalsContact O-N 3.12Å; W148-L150 VanDerWaalsContact C-N 3.35Å; W148-L150 PolarHBondContact O-N 3Å; L150-T174 HydrophobicContact CD1-CG2 4.26Å; L150-T174 HydrophobicContact CD2-CG2 3.79Å; L150-T174 HydrophobicContact CG-CG2 3.94Å; L150-V304 HydrophobicContact CD1-CB 4.41Å; L150-V304 HydrophobicContact CD1-CG1 3.96Å; L150-V304 HydrophobicContact CD1-CG2 4.28Å; L150-F305 HydrophobicContact CD1-CE2 4.06Å; L150-F305 HydrophobicContact CD1-CZ 4.07Å
151E96.8Very high97.5Very high58 Ų5828 Ų2827%0.27116%0.155SC..Hα-helixtrans-81.8-21.5175.7-65.1-174.3173.400113.5E147 W148 A149 P153 P300 V301 S302E147-E151 PolarHBondContact O-N 3.48Å; W148-E151 PolarHBondContact O-N 3.24Å; A149-E151 VanDerWaalsContact C-N 3.28Å; A149-E151 PolarHBondContact O-N 3.23Å; E151-P153 WeakPolarHBondContact O-CD 3.45Å; E151-P300 VanDerWaalsContact OE2-CA 3.25Å; E151-P300 WeakPolarHBondContact OE2-CA 3.31Å; E151-V301 PolarHBondContact OE1-N 3.12Å; E151-V301 PolarHBondContact OE2-N 3.21Å; E151-S302 WeakPolarHBondContact OE1-CA 3.49Å; E151-S302 WeakPolarHBondContact OE1-CB 3.34Å; E151-S302 PolarHBondContact OE1-N 3.5Å; E151-S302 PolarHBondContact OE1-OG 3.12Å
152N97.4Very high97.6Very high37 Ų3728 Ų2820%0.19816%0.155CC..  trans-123.450.9-175.4-63.8-84.6000112.8W148 A149 Q154 V155W148-N152 HydrophobicContact CD2-CB 4.31Å; W148-N152 VanDerWaalsContact CE2-ND2 3.33Å; W148-N152 HydrophobicContact CE3-CB 4.07Å; W148-N152 HydrophobicContact CH2-CB 3.85Å; W148-N152 HydrophobicContact CZ2-CB 4.07Å; W148-N152 HydrophobicContact CZ3-CB 3.83Å; W148-N152 PolarHBondContact NE1-ND2 3.46Å; W148-N152 WeakPolarHBondContact O-CB 3.49Å; W148-N152 PolarHBondContact O-N 2.82Å; W148-N152 PolarHBondContact O-ND2 3.07Å; A149-N152 CarbonylContact O-C 3.55Å; A149-N152 PolarHBondContact O-N 3.09Å; N152-Q154 PolarHBondContact O-N 3Å; N152-Q154 VanDerWaalsContact O-N 3.1Å; N152-Q154 PolarHBondContact OD1-NE2 3.31Å; N152-V155 HydrophobicContact CB-CG2 4.14Å; N152-V155 WeakPolarHBondContact O-CB 3.42Å; N152-V155 PolarHBondContact O-N 3.29Å; N152-V155 VanDerWaalsContact O-N 3.08Å
153P97.1Very high97.7Very high45 Ų4527.5 Ų27.529%0.29215%0.151SC..G310 helixtrans-61.9-24.5-174.627.3-36000113.2E151 V155 F156 T157 C179E151-P153 WeakPolarHBondContact O-CD 3.45Å; P153-V155 PolarHBondContact O-N 2.89Å; P153-V155 VanDerWaalsContact O-N 3.16Å; P153-F156 PolarHBondContact O-N 3.41Å; P153-T157 PolarHBondContact O-N 3.14Å; P153-T157 PolarHBondContact O-OG1 3.49Å; P153-C179 HydrophobicContact CB-CB 4.18Å
154Q97Very high97.7Very high110 Ų11026.9 Ų26.951%0.51415%0.148SC..G310 helixtrans-60.3-22176.670.1-75.3-6.800113.8N152 F156N152-Q154 PolarHBondContact O-N 3Å; N152-Q154 VanDerWaalsContact O-N 3.1Å; N152-Q154 PolarHBondContact OD1-NE2 3.31Å; Q154-F156 PolarHBondContact O-N 2.85Å
155V97.1Very high97.7Very high11 Ų1126.2 Ų26.27%0.06715%0.15CC..G310 helixtrans-76.2-13.7177.6-179.20000111.9W148 N152 P153 R159 T236 L269W148-V155 HydrophobicContact CH2-CG1 4.48Å; W148-V155 HydrophobicContact CH2-CG2 3.94Å; W148-V155 HydrophobicContact CZ3-CB 4.46Å; W148-V155 HydrophobicContact CZ3-CG1 4.42Å; W148-V155 HydrophobicContact CZ3-CG2 4.31Å; N152-V155 HydrophobicContact CB-CG2 4.14Å; N152-V155 WeakPolarHBondContact O-CB 3.42Å; N152-V155 PolarHBondContact O-N 3.29Å; N152-V155 VanDerWaalsContact O-N 3.08Å; P153-V155 PolarHBondContact O-N 2.89Å; P153-V155 VanDerWaalsContact O-N 3.16Å; V155-R159 VanDerWaalsContact O-CD 3.31Å; V155-R159 WeakPolarHBondContact O-CD 3.41Å; V155-T236 HydrophobicContact CG1-CG2 4.01Å; V155-T236 PolarHBondContact O-OG1 3.31Å; V155-L269 HydrophobicContact CG1-CD1 4.04Å
156F98.3Very high97.7Very high1 Ų126.6 Ų26.60%0.00415%0.153CC..THydrogen-bonded Turntrans-123-25.7-176.6-52.3-79.8000113W148 A149 P153 Q154 G158 R159 V161 V175 C179 P181 T236 I238W148-F156 HydrophobicContact CZ3-CE2 4.23Å; W148-F156 HydrophobicContact CZ3-CZ 4.32Å; A149-F156 HydrophobicContact CB-CD2 4.23Å; A149-F156 HydrophobicContact CB-CE2 3.44Å; A149-F156 VanDerWaalsContact CB-CE2 3.44Å; A149-F156 HydrophobicContact CB-CZ 3.81Å; P153-F156 PolarHBondContact O-N 3.41Å; Q154-F156 PolarHBondContact O-N 2.85Å; F156-G158 PolarHBondContact O-N 2.89Å; F156-R159 WeakPolarHBondContact O-CB 3.32Å; F156-R159 PolarHBondContact O-N 2.81Å; F156-V161 HydrophobicContact CB-CG2 4.5Å; F156-V161 HydrophobicContact CD1-CG1 4.19Å; F156-V161 HydrophobicContact CD1-CG2 3.97Å; F156-V161 HydrophobicContact CE1-CG1 4.4Å; F156-V175 HydrophobicContact CB-CG1 3.8Å; F156-V175 HydrophobicContact CD1-CG1 3.56Å; F156-V175 HydrophobicContact CD1-CG2 4.23Å; F156-V175 HydrophobicContact CD2-CG1 4.39Å; F156-V175 HydrophobicContact CE1-CG1 4.22Å; F156-V175 HydrophobicContact CE1-CG2 4.08Å; F156-V175 HydrophobicContact CE2-CG2 4.5Å; F156-V175 HydrophobicContact CG-CG1 3.64Å; F156-V175 HydrophobicContact CG-CG2 4.47Å; F156-V175 HydrophobicContact CZ-CG2 4.23Å; F156-C179 HydrophobicContact CB-CB 3.7Å; F156-C179 HydrophobicContact CD2-CB 4Å; F156-C179 HydrophobicContact CG-CB 4.13Å; F156-P181 VanDerWaalsContact O-CA 3.28Å; F156-P181 WeakPolarHBondContact O-CA 3.5Å; F156-T236 HydrophobicContact CD1-CG2 4.16Å; F156-T236 HydrophobicContact CE1-CG2 3.9Å; F156-I238 HydrophobicContact CE1-CD1 4.5Å; F156-I238 HydrophobicContact CE1-CG2 3.72Å; F156-I238 HydrophobicContact CZ-CG2 4.16Å
157T97.9Very high97.7Very high76 Ų7627 Ų2747%0.46616%0.158SC..THydrogen-bonded Turntrans-57.9121.3-174.6-62.60000111P153 R159 C179 S180P153-T157 PolarHBondContact O-N 3.14Å; P153-T157 PolarHBondContact O-OG1 3.49Å; T157-R159 PolarHBondContact O-N 2.89Å; T157-C179 VanDerWaalsContact CA-O 3.28Å; T157-C179 WeakPolarHBondContact CA-O 3.44Å; T157-C179 PolarHBondContact N-O 3.35Å; T157-C179 PolarHBondContact OG1-O 3.46Å; T157-S180 WeakPolarHBondContact CA-O 3.44Å
158G96.9Very high97.7Very high52 Ų5227.2 Ų27.254%0.53616%0.159SC..THydrogen-bonded Turntrans65.616.3179.400000114.8F156 S180 V182F156-G158 PolarHBondContact O-N 2.89Å; G158-S180 PolarHBondContact N-O 3.49Å; G158-V182 VanDerWaalsContact C-CG1 3.49Å; G158-V182 VanDerWaalsContact O-CG1 3.3Å; G158-V182 WeakPolarHBondContact O-CG1 3.28Å
159R97.5Very high97.7Very high75 Ų7526.4 Ų26.428%0.28316%0.156SC..  trans-105.7156.1179.5-69.6-166.9-175.5-178.31113.8V155 F156 T157 P181 V182 R183 D235 T236 E267V155-R159 VanDerWaalsContact O-CD 3.31Å; V155-R159 WeakPolarHBondContact O-CD 3.41Å; F156-R159 WeakPolarHBondContact O-CB 3.32Å; F156-R159 PolarHBondContact O-N 2.81Å; T157-R159 PolarHBondContact O-N 2.89Å; R159-P181 WeakPolarHBondContact O-CB 3.4Å; R159-V182 VanDerWaalsContact O-CG1 3.26Å; R159-V182 WeakPolarHBondContact O-CG1 3.47Å; R159-V182 PolarHBondContact O-N 3.39Å; R159-R183 PolarHBondContact O-N 2.79Å; R159-D235 HydrophobicContact CB-CB 3.99Å; R159-D235 HydrophobicContact CG-CB 4.08Å; R159-T236 VanDerWaalsContact CD-OG1 3.29Å; R159-T236 WeakPolarHBondContact CD-OG1 3.39Å; R159-T236 PolarHBondContact NH1-OG1 2.91Å; R159-E267 IonicContact CZ-OE2 3.8Å; R159-E267 IonicContact NH1-OE2 2.86Å; R159-E267 PolarHBondContact NH1-OE2 2.87Å; R159-E267 IonicContact NH2-OE2 3.98Å
160S97.4Very high97.7Very high12 Ų1226.5 Ų26.58%0.08416%0.156CC..EExtended strand (participates in β ladder)trans-84117.5166-173.30000109.3R183 I232 D235 T236S160-R183 WeakPolarHBondContact CA-O 3.46Å; S160-I232 PolarHBondContact OG-O 3.27Å; S160-D235 WeakPolarHBondContact CB-OD2 3.39Å; S160-D235 PolarHBondContact N-OD2 2.88Å; S160-D235 PolarHBondContact O-N 3.49Å; S160-T236 PolarHBondContact O-N 3.2Å; S160-T236 VanDerWaalsContact O-N 3.14Å
161V98.6Very high97.8Very high0 Ų024.9 Ų24.90%015%0.148CC..EExtended strand (participates in β ladder)trans-112.3135.2-174.2-170.20000110.4F156 P181 R183 F184 V185 T236 I238F156-V161 HydrophobicContact CB-CG2 4.5Å; F156-V161 HydrophobicContact CD1-CG1 4.19Å; F156-V161 HydrophobicContact CD1-CG2 3.97Å; F156-V161 HydrophobicContact CE1-CG1 4.4Å; V161-P181 HydrophobicContact CG2-CB 3.95Å; V161-R183 PolarHBondContact N-O 3.37Å; V161-F184 HydrophobicContact CB-CD2 3.61Å; V161-F184 HydrophobicContact CB-CE2 3.8Å; V161-F184 HydrophobicContact CB-CG 4.34Å; V161-F184 HydrophobicContact CG1-CD2 3.85Å; V161-F184 HydrophobicContact CG1-CE2 3.46Å; V161-F184 VanDerWaalsContact CG1-CE2 3.46Å; V161-F184 HydrophobicContact CG1-CZ 4.1Å; V161-F184 HydrophobicContact CG2-CD2 4.26Å; V161-F184 CarbonylContact O-C 3.53Å; V161-F184 WeakPolarHBondContact O-CA 3.31Å; V161-V185 PolarHBondContact O-N 3.46Å; V161-T236 CarbonylContact C-O 3.58Å; V161-T236 VanDerWaalsContact CA-O 3.3Å; V161-T236 WeakPolarHBondContact CA-O 3.12Å; V161-I238 HydrophobicContact CG1-CD1 4.45Å; V161-I238 HydrophobicContact CG1-CG1 4.37Å
162L98.6Very high97.8Very high0 Ų022.1 Ų22.10%014%0.135CC..EExtended strand (participates in β ladder)trans-115.6125.7169.9171.563.6000109.5L164 V185 I232 P234 T236 V237 I238 I259L162-L164 HydrophobicContact CD1-CD2 4.45Å; L162-L164 HydrophobicContact CD2-CD2 3.8Å; L162-L164 HydrophobicContact CG-CD2 3.97Å; L162-V185 WeakPolarHBondContact CA-O 3.11Å; L162-V185 HydrophobicContact CD1-CB 3.95Å; L162-V185 HydrophobicContact CD1-CG1 3.84Å; L162-I232 HydrophobicContact CB-CG2 4.15Å; L162-I232 HydrophobicContact CD1-CD1 4.32Å; L162-I232 HydrophobicContact CD1-CG2 4.42Å; L162-I232 HydrophobicContact CD2-CD1 4.43Å; L162-I232 HydrophobicContact CD2-CG2 4.29Å; L162-P234 HydrophobicContact CB-CB 3.76Å; L162-P234 HydrophobicContact CB-CG 4.24Å; L162-P234 HydrophobicContact CD2-CG 4.26Å; L162-T236 PolarHBondContact N-O 2.75Å; L162-V237 HydrophobicContact CB-CG2 4.35Å; L162-V237 CarbonylContact O-C 3.39Å; L162-V237 VanDerWaalsContact O-CA 3.27Å; L162-V237 WeakPolarHBondContact O-CA 3.41Å; L162-I238 PolarHBondContact O-N 2.85Å; L162-I259 HydrophobicContact CD2-CD1 4.37Å
163E98.8Very high97.9Very high3 Ų320.3 Ų20.31%0.01413%0.125CC..EExtended strand (participates in β ladder)trans-101.3121.5169.9-177.3173.2-156.600110S166 T171 G172 F184 V185 F186 S187 I238E163-S166 WeakPolarHBondContact CB-OG 3.14Å; E163-S166 VanDerWaalsContact CG-OG 3.32Å; E163-S166 WeakPolarHBondContact CG-OG 3.29Å; E163-S166 PolarHBondContact O-OG 3.25Å; E163-S166 PolarHBondContact OE2-OG 3.2Å; E163-T171 VanDerWaalsContact OE1-CB 3.28Å; E163-T171 WeakPolarHBondContact OE1-CB 3.47Å; E163-G172 WeakPolarHBondContact OE2-CA 3.21Å; E163-G172 PolarHBondContact OE2-N 3.47Å; E163-F184 HydrophobicContact CB-CE1 3.76Å; E163-F184 HydrophobicContact CB-CZ 3.76Å; E163-V185 PolarHBondContact N-O 3Å; E163-F186 WeakPolarHBondContact OE2-CD1 3.24Å; E163-S187 WeakPolarHBondContact O-CB 3.35Å; E163-S187 PolarHBondContact O-N 3.41Å; E163-S187 VanDerWaalsContact O-N 3.08Å; E163-S187 PolarHBondContact O-OG 2.59Å; E163-I238 CarbonylContact C-O 3.55Å; E163-I238 VanDerWaalsContact CA-O 3.31Å; E163-I238 WeakPolarHBondContact CA-O 3.43Å; E163-I238 HydrophobicContact CB-CD1 4.29Å; E163-I238 HydrophobicContact CB-CG1 3.83Å; E163-I238 HydrophobicContact CG-CD1 4.31Å; E163-I238 HydrophobicContact CG-CG1 3.97Å
164L98.5Very high97.9Very high0 Ų018.2 Ų18.20%011%0.111CC..EExtended strand (participates in β ladder)trans-91.4127.6175.7-56.4177.4000109.7L162 L219 W221 V237 I238 A239 V242 L252 L255 L256 I259L162-L164 HydrophobicContact CD1-CD2 4.45Å; L162-L164 HydrophobicContact CD2-CD2 3.8Å; L162-L164 HydrophobicContact CG-CD2 3.97Å; L164-L219 HydrophobicContact CD2-CD2 3.33Å; L164-W221 HydrophobicContact CB-CZ2 4.39Å; L164-V237 HydrophobicContact CD1-CG1 3.71Å; L164-V237 HydrophobicContact CG-CG1 3.77Å; L164-I238 PolarHBondContact N-O 2.92Å; L164-A239 HydrophobicContact CB-CB 4.01Å; L164-V242 WeakPolarHBondContact O-CG1 3.47Å; L164-L252 HydrophobicContact CD1-CD1 4.02Å; L164-L255 HydrophobicContact CD1-CD2 4.19Å; L164-L255 HydrophobicContact CD2-CD2 4.03Å; L164-L256 HydrophobicContact CD1-CD2 3.8Å; L164-I259 HydrophobicContact CD1-CD1 4.4Å
165G97.6Very high98Very high16 Ų1613 Ų1317%0.1659%0.087CC..SBendtrans64.752.1-179.900000111.5G167 S187G165-G167 PolarHBondContact O-N 3.49Å; G165-G167 VanDerWaalsContact O-N 3.16Å; G165-S187 WeakPolarHBondContact CA-O 3.49Å; G165-S187 PolarHBondContact N-O 2.68Å
166S98.1Very high98Very high8 Ų812.8 Ų12.86%0.0569%0.086CC..  trans-62.5-21.3-172.9-59.30000114.2E163 V168 G169 F186 S187E163-S166 WeakPolarHBondContact CB-OG 3.14Å; E163-S166 VanDerWaalsContact CG-OG 3.32Å; E163-S166 WeakPolarHBondContact CG-OG 3.29Å; E163-S166 PolarHBondContact O-OG 3.25Å; E163-S166 PolarHBondContact OE2-OG 3.2Å; S166-V168 PolarHBondContact O-N 2.6Å; S166-G169 WeakPolarHBondContact O-CA 3.35Å; S166-G169 PolarHBondContact O-N 3.03Å; S166-F186 WeakPolarHBondContact OG-CA 3.26Å; S166-S187 PolarHBondContact N-O 2.96Å; S166-S187 PolarHBondContact OG-N 3.21Å; S166-S187 PolarHBondContact OG-O 2.91Å
167G97.5Very high97.9Very high10 Ų1016.7 Ų16.710%0.10310%0.101CC..THydrogen-bonded Turntrans55.1-127.8-175.600000111.5G135 G165 G169 D188 V193G135-G167 CarbonylContact O-C 3.59Å; G135-G167 VanDerWaalsContact O-C 3.25Å; G135-G167 WeakPolarHBondContact O-CA 3.36Å; G165-G167 PolarHBondContact O-N 3.49Å; G165-G167 VanDerWaalsContact O-N 3.16Å; G167-G169 VanDerWaalsContact C-N 3.27Å; G167-G169 PolarHBondContact O-N 3.25Å; G167-D188 PolarHBondContact N-OD2 2.77Å; G167-V193 WeakPolarHBondContact O-CG1 3.5Å
168V97Very high97.8Very high4 Ų415.1 Ų15.12%0.0249%0.093CC..THydrogen-bonded Turntrans-76.8-7.9176.6-66.70000114.6L122 E124 G135 T138 S166 K196 N200L122-V168 HydrophobicContact CD1-CG2 4.02Å; E124-V168 HydrophobicContact CG-CG1 4.29Å; E124-V168 HydrophobicContact CG-CG2 4.44Å; G135-V168 PolarHBondContact O-N 3.09Å; T138-V168 WeakPolarHBondContact OG1-CG2 3.48Å; S166-V168 PolarHBondContact O-N 2.6Å; V168-K196 HydrophobicContact CG1-CD 4.43Å; V168-N200 WeakPolarHBondContact O-CB 3.26Å; V168-N200 PolarHBondContact O-ND2 3.29Å
169G98Very high97.8Very high0 Ų012.7 Ų12.70%07%0.068CC..  trans93.213.7167.400000116.7S166 G167 T171 G172 I173 L197S166-G169 WeakPolarHBondContact O-CA 3.35Å; S166-G169 PolarHBondContact O-N 3.03Å; G167-G169 VanDerWaalsContact C-N 3.27Å; G167-G169 PolarHBondContact O-N 3.25Å; G169-T171 PolarHBondContact O-N 3.37Å; G169-G172 PolarHBondContact O-N 3.33Å; G169-I173 WeakPolarHBondContact O-CB 3.41Å; G169-I173 WeakPolarHBondContact O-CD1 3.28Å; G169-I173 WeakPolarHBondContact O-CG1 3.43Å; G169-I173 PolarHBondContact O-N 3.13Å; G169-L197 VanDerWaalsContact CA-CD1 3.41Å
170L98.4Very high97.7Very high3 Ų312.9 Ų12.92%0.0168%0.081CC..Hα-helixtrans-50.6-54.2-177176.766.3000112.8Y112 I120 L122 T138 A142 L143 I173 T174Y112-L170 HydrophobicContact CD2-CD1 3.58Å; Y112-L170 HydrophobicContact CE2-CD1 4.06Å; Y112-L170 HydrophobicContact CG-CD1 3.94Å; I120-L170 HydrophobicContact CG2-CD1 4.24Å; L122-L170 HydrophobicContact CD1-CB 3.69Å; L122-L170 HydrophobicContact CD1-CD1 3.92Å; L122-L170 HydrophobicContact CD1-CG 4.37Å; T138-L170 HydrophobicContact CG2-CB 4.39Å; T138-L170 HydrophobicContact CG2-CD2 3.44Å; T138-L170 VanDerWaalsContact CG2-CD2 3.44Å; T138-L170 HydrophobicContact CG2-CG 4.5Å; A142-L170 HydrophobicContact CB-CD2 4.39Å; L143-L170 HydrophobicContact CB-CD2 4.47Å; L143-L170 HydrophobicContact CD2-CD2 3.32Å; L143-L170 HydrophobicContact CG-CD2 3.71Å; L170-I173 PolarHBondContact O-N 3.16Å; L170-T174 WeakPolarHBondContact O-CB 3.15Å; L170-T174 PolarHBondContact O-N 3.31Å; L170-T174 PolarHBondContact O-OG1 2.84Å
171T98.4Very high97.7Very high1 Ų112.4 Ų12.41%0.0068%0.077CC..Hα-helixtrans-63.5-52.3-173.7-41.90000110.4A142 L145 A146 E163 G169 I173 T174 V175 I238A142-T171 PolarHBondContact O-OG1 2.79Å; L145-T171 HydrophobicContact CB-CG2 4.07Å; L145-T171 HydrophobicContact CD2-CG2 4.01Å; L145-T171 HydrophobicContact CG-CG2 3.75Å; A146-T171 HydrophobicContact CB-CG2 4.36Å; E163-T171 VanDerWaalsContact OE1-CB 3.28Å; E163-T171 WeakPolarHBondContact OE1-CB 3.47Å; G169-T171 PolarHBondContact O-N 3.37Å; T171-I173 PolarHBondContact O-N 3.35Å; T171-T174 WeakPolarHBondContact O-CB 3.24Å; T171-T174 PolarHBondContact O-N 3.03Å; T171-T174 VanDerWaalsContact O-N 3.15Å; T171-V175 WeakPolarHBondContact O-CG2 3.18Å; T171-V175 PolarHBondContact O-N 2.88Å; T171-I238 HydrophobicContact CG2-CD1 3.84Å
172G98.3Very high97.6Very high0 Ų016 Ų160%010%0.099CC..Hα-helixtrans-64.7-36.3-179.100000114.2E163 G169 T174 V175 C176 F186E163-G172 WeakPolarHBondContact OE2-CA 3.21Å; E163-G172 PolarHBondContact OE2-N 3.47Å; G169-G172 PolarHBondContact O-N 3.33Å; G172-T174 VanDerWaalsContact C-N 3.32Å; G172-T174 PolarHBondContact O-N 2.94Å; G172-V175 PolarHBondContact O-N 3.44Å; G172-C176 WeakPolarHBondContact O-CB 3.44Å; G172-C176 PolarHBondContact O-N 2.72Å; G172-C176 PolarHBondContact O-SG 3.5Å; G172-F186 VanDerWaalsContact C-CZ 3.41Å; G172-F186 VanDerWaalsContact CA-CE1 3.47Å
173I98.4Very high97.5Very high0 Ų019.2 Ų19.20%011%0.111CC..Hα-helixtrans-64.8-40.2174.4-67.4165.2000110I120 L122 G169 L170 T171 C176 R177 F186 N200 N204 L206I120-I173 HydrophobicContact CD1-CG2 4.04Å; I120-I173 HydrophobicContact CG1-CG2 4.03Å; I120-I173 HydrophobicContact CG2-CB 4.39Å; I120-I173 HydrophobicContact CG2-CG2 3.77Å; L122-I173 HydrophobicContact CD2-CD1 3.65Å; G169-I173 WeakPolarHBondContact O-CB 3.41Å; G169-I173 WeakPolarHBondContact O-CD1 3.28Å; G169-I173 WeakPolarHBondContact O-CG1 3.43Å; G169-I173 PolarHBondContact O-N 3.13Å; L170-I173 PolarHBondContact O-N 3.16Å; T171-I173 PolarHBondContact O-N 3.35Å; I173-C176 PolarHBondContact O-N 3.23Å; I173-R177 WeakPolarHBondContact O-CG 3.38Å; I173-R177 PolarHBondContact O-N 3.38Å; I173-F186 HydrophobicContact CG1-CE1 4.18Å; I173-F186 HydrophobicContact CG1-CZ 3.95Å; I173-N200 HydrophobicContact CD1-CB 4.1Å; I173-N204 HydrophobicContact CG2-CB 3.67Å; I173-L206 HydrophobicContact CB-CD1 4.34Å; I173-L206 HydrophobicContact CG1-CD1 4.03Å; I173-L206 HydrophobicContact CG2-CD1 4.2Å
174T98.2Very high97.5Very high0 Ų019.1 Ų19.10%011%0.111CC..Hα-helixtrans-59.9-50.6174.2-56.50000111.2L114 I120 A146 L150 L170 T171 G172 C176 R177 S178 F305L114-T174 HydrophobicContact CD2-CG2 3.98Å; I120-T174 HydrophobicContact CD1-CG2 4.44Å; I120-T174 WeakPolarHBondContact CD1-OG1 3.46Å; A146-T174 HydrophobicContact CB-CG2 4.08Å; L150-T174 HydrophobicContact CD1-CG2 4.26Å; L150-T174 HydrophobicContact CD2-CG2 3.79Å; L150-T174 HydrophobicContact CG-CG2 3.94Å; L170-T174 WeakPolarHBondContact O-CB 3.15Å; L170-T174 PolarHBondContact O-N 3.31Å; L170-T174 PolarHBondContact O-OG1 2.84Å; T171-T174 WeakPolarHBondContact O-CB 3.24Å; T171-T174 PolarHBondContact O-N 3.03Å; T171-T174 VanDerWaalsContact O-N 3.15Å; G172-T174 VanDerWaalsContact C-N 3.32Å; G172-T174 PolarHBondContact O-N 2.94Å; T174-C176 VanDerWaalsContact C-N 3.33Å; T174-C176 PolarHBondContact O-N 3.19Å; T174-R177 PolarHBondContact O-N 3.2Å; T174-S178 WeakPolarHBondContact O-CB 3.4Å; T174-S178 PolarHBondContact O-N 2.76Å; T174-F305 HydrophobicContact CG2-CE2 4.47Å; T174-F305 HydrophobicContact CG2-CZ 4.27Å
175V98.3Very high97.5Very high0 Ų019.1 Ų19.10%011%0.111CC..Hα-helixtrans-58.5-44.8177.9172.50000111.3A149 F156 T171 G172 R177 S178 C179 P181 F184 I238A149-V175 HydrophobicContact CB-CG2 3.81Å; F156-V175 HydrophobicContact CB-CG1 3.8Å; F156-V175 HydrophobicContact CD1-CG1 3.56Å; F156-V175 HydrophobicContact CD1-CG2 4.23Å; F156-V175 HydrophobicContact CD2-CG1 4.39Å; F156-V175 HydrophobicContact CE1-CG1 4.22Å; F156-V175 HydrophobicContact CE1-CG2 4.08Å; F156-V175 HydrophobicContact CE2-CG2 4.5Å; F156-V175 HydrophobicContact CG-CG1 3.64Å; F156-V175 HydrophobicContact CG-CG2 4.47Å; F156-V175 HydrophobicContact CZ-CG2 4.23Å; T171-V175 WeakPolarHBondContact O-CG2 3.18Å; T171-V175 PolarHBondContact O-N 2.88Å; G172-V175 PolarHBondContact O-N 3.44Å; V175-R177 VanDerWaalsContact C-N 3.3Å; V175-R177 PolarHBondContact O-N 3.19Å; V175-S178 PolarHBondContact O-N 3.27Å; V175-C179 HydrophobicContact CG1-CB 4.13Å; V175-C179 WeakPolarHBondContact O-CA 3.27Å; V175-C179 WeakPolarHBondContact O-CB 3.25Å; V175-C179 PolarHBondContact O-N 3.05Å; V175-P181 HydrophobicContact CG1-CG 4.2Å; V175-P181 WeakPolarHBondContact O-CD 3.24Å; V175-F184 HydrophobicContact CB-CD2 4.41Å; V175-F184 HydrophobicContact CB-CE2 3.86Å; V175-F184 HydrophobicContact CG1-CD2 4.01Å; V175-F184 HydrophobicContact CG1-CE2 3.75Å; V175-F184 HydrophobicContact CG2-CE2 4.49Å; V175-I238 HydrophobicContact CG2-CD1 4.4Å
176C97.3Very high97.5Very high8 Ų818.3 Ų18.35%0.05410%0.103CC..Hα-helixtrans-61.4-37.7179.1-72.20000112.8G172 I173 T174 F184 L206 P212G172-C176 WeakPolarHBondContact O-CB 3.44Å; G172-C176 PolarHBondContact O-N 2.72Å; G172-C176 PolarHBondContact O-SG 3.5Å; I173-C176 PolarHBondContact O-N 3.23Å; T174-C176 VanDerWaalsContact C-N 3.33Å; T174-C176 PolarHBondContact O-N 3.19Å; C176-F184 WeakPolarHBondContact SG-CB 3.42Å; C176-F184 WeakPolarHBondContact SG-CG 3.41Å; C176-L206 HydrophobicContact CB-CD1 3.66Å; C176-L206 HydrophobicContact CB-CD2 3.86Å; C176-L206 HydrophobicContact CB-CG 4.45Å; C176-P212 HydrophobicContact CB-CG 3.85Å
177R95.7Very high97.5Very high82 Ų8218 Ų1831%0.30910%0.1SC..Hα-helixtrans-84.8-25.8-176.3-70.4-170.869.41732.9114L114 D118 A119 I173 T174 V175L114-R177 HydrophobicContact CD1-CB 4.22Å; D118-R177 IonicContact OD2-NH2 3.43Å; D118-R177 PolarHBondContact OD2-NH2 3.1Å; A119-R177 PolarHBondContact O-NH1 3.43Å; I173-R177 WeakPolarHBondContact O-CG 3.38Å; I173-R177 PolarHBondContact O-N 3.38Å; T174-R177 PolarHBondContact O-N 3.2Å; V175-R177 VanDerWaalsContact C-N 3.3Å; V175-R177 PolarHBondContact O-N 3.19Å
178S96.1Very high97.6Very high44 Ų4418.1 Ų18.131%0.30810%0.099SC..Hα-helixtrans-122.5-18.4-168.4-60.70000114.7T174 V175T174-S178 WeakPolarHBondContact O-CB 3.4Å; T174-S178 PolarHBondContact O-N 2.76Å; V175-S178 PolarHBondContact O-N 3.27Å
179C97.1Very high97.5Very high1 Ų120.3 Ų20.31%0.00711%0.114CC..SBendtrans-118.27.8-171.5-46.30000114A149 P153 F156 T157 V175 P181A149-C179 PolarHBondContact O-SG 3.43Å; P153-C179 HydrophobicContact CB-CB 4.18Å; F156-C179 HydrophobicContact CB-CB 3.7Å; F156-C179 HydrophobicContact CD2-CB 4Å; F156-C179 HydrophobicContact CG-CB 4.13Å; T157-C179 VanDerWaalsContact CA-O 3.28Å; T157-C179 WeakPolarHBondContact CA-O 3.44Å; T157-C179 PolarHBondContact N-O 3.35Å; T157-C179 PolarHBondContact OG1-O 3.46Å; V175-C179 HydrophobicContact CG1-CB 4.13Å; V175-C179 WeakPolarHBondContact O-CA 3.27Å; V175-C179 WeakPolarHBondContact O-CB 3.25Å; V175-C179 PolarHBondContact O-N 3.05Å; C179-P181 VanDerWaalsContact C-CD 3.49Å
180S96.1Very high97.3Very high79 Ų7923.6 Ų23.655%0.55213%0.129SC*.  trans4851.2171.8-55.90000116.2T157 G158T157-S180 WeakPolarHBondContact CA-O 3.44Å; G158-S180 PolarHBondContact N-O 3.49Å
181P97.4Very high97.1Very high1 Ų127 Ų271%0.00616%0.158CC..  trans-65.2162.7170.429.7-33.3000111.3F156 R159 V161 V175 C179 F184 P212F156-P181 VanDerWaalsContact O-CA 3.28Å; F156-P181 WeakPolarHBondContact O-CA 3.5Å; R159-P181 WeakPolarHBondContact O-CB 3.4Å; V161-P181 HydrophobicContact CG2-CB 3.95Å; V175-P181 HydrophobicContact CG1-CG 4.2Å; V175-P181 WeakPolarHBondContact O-CD 3.24Å; C179-P181 VanDerWaalsContact C-CD 3.49Å; P181-F184 HydrophobicContact CG-CD2 4.39Å; P181-P212 HydrophobicContact CB-CB 4.5Å; P181-P212 HydrophobicContact CG-CB 3.9Å; P181-P212 HydrophobicContact CG-CG 3.96Å; P181-P212 WeakPolarHBondContact O-CB 3.3Å
182V96.4Very high96.9Very high76 Ų7628.4 Ų28.446%0.46117%0.169SC..SBendtrans-86.5-37.1170.647.90000110.9G158 R159 S213G158-V182 VanDerWaalsContact C-CG1 3.49Å; G158-V182 VanDerWaalsContact O-CG1 3.3Å; G158-V182 WeakPolarHBondContact O-CG1 3.28Å; R159-V182 VanDerWaalsContact O-CG1 3.26Å; R159-V182 WeakPolarHBondContact O-CG1 3.47Å; R159-V182 PolarHBondContact O-N 3.39Å; V182-S213 PolarHBondContact O-N 2.92Å
183R96.8Very high96.8Very high68 Ų6828.5 Ų28.526%0.25717%0.17SC..EExtended strand (participates in β ladder)trans-141.5140.4179.3-177.6-179.6-179.4-174.50.4109.8R159 S160 V161 V185 S213 R231R159-R183 PolarHBondContact O-N 2.79Å; S160-R183 WeakPolarHBondContact CA-O 3.46Å; V161-R183 PolarHBondContact N-O 3.37Å; R183-V185 HydrophobicContact CG-CG2 4.41Å; R183-S213 CarbonylContact C-O 3.59Å; R183-S213 VanDerWaalsContact CA-O 3.29Å; R183-S213 WeakPolarHBondContact CA-O 3.48Å; R183-R231 PolarHBondContact NH1-O 3.36Å
184F98.1Very high96.8Very high0 Ų028.7 Ų28.70%017%0.171CC..EExtended strand (participates in β ladder)trans-132.4125.7173-159.2-75.2000110V161 E163 V175 C176 P181 F186 S213 V214 T215 I238V161-F184 HydrophobicContact CB-CD2 3.61Å; V161-F184 HydrophobicContact CB-CE2 3.8Å; V161-F184 HydrophobicContact CB-CG 4.34Å; V161-F184 HydrophobicContact CG1-CD2 3.85Å; V161-F184 HydrophobicContact CG1-CE2 3.46Å; V161-F184 VanDerWaalsContact CG1-CE2 3.46Å; V161-F184 HydrophobicContact CG1-CZ 4.1Å; V161-F184 HydrophobicContact CG2-CD2 4.26Å; V161-F184 CarbonylContact O-C 3.53Å; V161-F184 WeakPolarHBondContact O-CA 3.31Å; E163-F184 HydrophobicContact CB-CE1 3.76Å; E163-F184 HydrophobicContact CB-CZ 3.76Å; V175-F184 HydrophobicContact CB-CD2 4.41Å; V175-F184 HydrophobicContact CB-CE2 3.86Å; V175-F184 HydrophobicContact CG1-CD2 4.01Å; V175-F184 HydrophobicContact CG1-CE2 3.75Å; V175-F184 HydrophobicContact CG2-CE2 4.49Å; C176-F184 WeakPolarHBondContact SG-CB 3.42Å; C176-F184 WeakPolarHBondContact SG-CG 3.41Å; P181-F184 HydrophobicContact CG-CD2 4.39Å; F184-F186 HydrophobicContact CD1-CD1 4.19Å; F184-F186 AromaticContact CD1-CD2 3.5Å; F184-F186 HydrophobicContact CD1-CD2 3.5Å; F184-F186 HydrophobicContact CD1-CE1 4.1Å; F184-F186 AromaticContact CD1-CE2 3.34Å; F184-F186 HydrophobicContact CD1-CE2 3.34Å; F184-F186 AromaticContact CD1-CG 3.93Å; F184-F186 HydrophobicContact CD1-CG 3.93Å; F184-F186 AromaticContact CD1-CZ 3.68Å; F184-F186 HydrophobicContact CD1-CZ 3.68Å; F184-F186 AromaticContact CE1-CD1 3.69Å; F184-F186 HydrophobicContact CE1-CD1 3.69Å; F184-F186 AromaticContact CE1-CD2 3.89Å; F184-F186 HydrophobicContact CE1-CD2 3.89Å; F184-F186 AromaticContact CE1-CE1 3.64Å; F184-F186 HydrophobicContact CE1-CE1 3.64Å; F184-F186 AromaticContact CE1-CE2 3.79Å; F184-F186 HydrophobicContact CE1-CE2 3.79Å; F184-F186 AromaticContact CE1-CG 3.83Å; F184-F186 HydrophobicContact CE1-CG 3.83Å; F184-F186 AromaticContact CE1-CZ 3.68Å; F184-F186 HydrophobicContact CE1-CZ 3.68Å; F184-F186 HydrophobicContact CG-CE2 4.2Å; F184-F186 HydrophobicContact CZ-CE1 4.44Å; F184-S213 PolarHBondContact N-O 3.2Å; F184-V214 HydrophobicContact CB-CG2 4.28Å; F184-V214 WeakPolarHBondContact O-CA 3.14Å; F184-T215 PolarHBondContact O-N 2.99Å; F184-I238 HydrophobicContact CE2-CD1 4.33Å; F184-I238 HydrophobicContact CZ-CD1 4.06Å
185V98.1Very high96.7Very high0 Ų035.2 Ų35.20%020%0.201CC..EExtended strand (participates in β ladder)trans-111.7110175.2-176.20000107.9V161 L162 E163 R183 D217 I232V161-V185 PolarHBondContact O-N 3.46Å; L162-V185 WeakPolarHBondContact CA-O 3.11Å; L162-V185 HydrophobicContact CD1-CB 3.95Å; L162-V185 HydrophobicContact CD1-CG1 3.84Å; E163-V185 PolarHBondContact N-O 3Å; R183-V185 HydrophobicContact CG-CG2 4.41Å; V185-D217 HydrophobicContact CG1-CB 4.23Å; V185-I232 HydrophobicContact CB-CG2 4.42Å; V185-I232 HydrophobicContact CG1-CD1 4.49Å; V185-I232 HydrophobicContact CG2-CG2 4.05Å
186F98.6Very high96.6Very high0 Ų035.9 Ų35.90%020%0.204CC..EExtended strand (participates in β ladder)trans-79.7138.6167.3-66.6-91.8000109E163 S166 G172 I173 F184 L197 V201 V214 T215 V216 D217E163-F186 WeakPolarHBondContact OE2-CD1 3.24Å; S166-F186 WeakPolarHBondContact OG-CA 3.26Å; G172-F186 VanDerWaalsContact C-CZ 3.41Å; G172-F186 VanDerWaalsContact CA-CE1 3.47Å; I173-F186 HydrophobicContact CG1-CE1 4.18Å; I173-F186 HydrophobicContact CG1-CZ 3.95Å; F184-F186 HydrophobicContact CD1-CD1 4.19Å; F184-F186 AromaticContact CD1-CD2 3.5Å; F184-F186 HydrophobicContact CD1-CD2 3.5Å; F184-F186 HydrophobicContact CD1-CE1 4.1Å; F184-F186 AromaticContact CD1-CE2 3.34Å; F184-F186 HydrophobicContact CD1-CE2 3.34Å; F184-F186 AromaticContact CD1-CG 3.93Å; F184-F186 HydrophobicContact CD1-CG 3.93Å; F184-F186 AromaticContact CD1-CZ 3.68Å; F184-F186 HydrophobicContact CD1-CZ 3.68Å; F184-F186 AromaticContact CE1-CD1 3.69Å; F184-F186 HydrophobicContact CE1-CD1 3.69Å; F184-F186 AromaticContact CE1-CD2 3.89Å; F184-F186 HydrophobicContact CE1-CD2 3.89Å; F184-F186 AromaticContact CE1-CE1 3.64Å; F184-F186 HydrophobicContact CE1-CE1 3.64Å; F184-F186 AromaticContact CE1-CE2 3.79Å; F184-F186 HydrophobicContact CE1-CE2 3.79Å; F184-F186 AromaticContact CE1-CG 3.83Å; F184-F186 HydrophobicContact CE1-CG 3.83Å; F184-F186 AromaticContact CE1-CZ 3.68Å; F184-F186 HydrophobicContact CE1-CZ 3.68Å; F184-F186 HydrophobicContact CG-CE2 4.2Å; F184-F186 HydrophobicContact CZ-CE1 4.44Å; F186-L197 HydrophobicContact CB-CD2 3.85Å; F186-L197 HydrophobicContact CB-CG 4.37Å; F186-L197 HydrophobicContact CD1-CD1 3.94Å; F186-L197 HydrophobicContact CD1-CD2 4.48Å; F186-L197 HydrophobicContact CE1-CD1 4.44Å; F186-L197 HydrophobicContact CG-CD1 4.42Å; F186-V201 HydrophobicContact CD2-CG2 4.02Å; F186-V201 HydrophobicContact CE1-CG2 4.44Å; F186-V201 HydrophobicContact CE2-CG2 3.87Å; F186-V201 HydrophobicContact CG-CG2 4.4Å; F186-V201 HydrophobicContact CZ-CG2 4.08Å; F186-V214 HydrophobicContact CD2-CG1 3.75Å; F186-V214 HydrophobicContact CE2-CG1 3.52Å; F186-T215 PolarHBondContact N-O 3.25Å; F186-V216 HydrophobicContact CB-CG2 4.09Å; F186-V216 HydrophobicContact CD2-CG2 4.39Å; F186-V216 WeakPolarHBondContact O-CA 3.11Å; F186-D217 PolarHBondContact O-N 2.64Å
187S98.3Very high96.7Very high1 Ų135.5 Ų35.51%0.00720%0.202CC..EExtended strand (participates in β ladder)trans-144.914217976.10000114.5E163 G165 S166 D217E163-S187 WeakPolarHBondContact O-CB 3.35Å; E163-S187 PolarHBondContact O-N 3.41Å; E163-S187 VanDerWaalsContact O-N 3.08Å; E163-S187 PolarHBondContact O-OG 2.59Å; G165-S187 WeakPolarHBondContact CA-O 3.49Å; G165-S187 PolarHBondContact N-O 2.68Å; S166-S187 PolarHBondContact N-O 2.96Å; S166-S187 PolarHBondContact OG-N 3.21Å; S166-S187 PolarHBondContact OG-O 2.91Å; S187-D217 VanDerWaalsContact CA-O 3.26Å; S187-D217 WeakPolarHBondContact CA-O 3.46Å
188D97.9Very high96.8Very high13 Ų1336.6 Ų36.67%0.0721%0.206CC..EExtended strand (participates in β ladder)trans-151.6166.4174.2-155.1-77.8000109.1G167 H190 V193 L194 Q218 L219G167-D188 PolarHBondContact N-OD2 2.77Å; D188-H190 IonicContact OD1-CG 3.71Å; D188-H190 PolarHBondContact OD1-N 3.49Å; D188-H190 IonicContact OD1-ND1 3.63Å; D188-H190 PolarHBondContact OD1-ND1 2.92Å; D188-V193 HydrophobicContact CB-CB 4.47Å; D188-V193 HydrophobicContact CB-CG1 4.02Å; D188-L194 HydrophobicContact CB-CD2 3.79Å; D188-L194 HydrophobicContact CB-CG 4.14Å; D188-Q218 WeakPolarHBondContact O-CA 3.31Å; D188-L219 PolarHBondContact O-N 2.92Å
189C95.1Very high96.8Very high50 Ų5038.2 Ų38.234%0.33821%0.209SC..SBendtrans-96.4-23.6176.765.50000113Q218 D220C189-Q218 PolarHBondContact O-NE2 3.33Å; C189-D220 HydrophobicContact CB-CB 4.15Å
190H94.9Very high96.8Very high68 Ų6838.2 Ų38.232%0.31521%0.208SC..  trans-88.9126.2-174.1-64.488.6000112.3D188 A192 V193 L194D188-H190 IonicContact OD1-CG 3.71Å; D188-H190 PolarHBondContact OD1-N 3.49Å; D188-H190 IonicContact OD1-ND1 3.63Å; D188-H190 PolarHBondContact OD1-ND1 2.92Å; H190-A192 PolarHBondContact O-N 3.13Å; H190-V193 HydrophobicContact CB-CB 4.02Å; H190-V193 HydrophobicContact CB-CG2 3.69Å; H190-V193 PolarHBondContact O-N 3.4Å; H190-V193 VanDerWaalsContact O-N 3.17Å; H190-L194 WeakPolarHBondContact O-CG 3.42Å; H190-L194 PolarHBondContact O-N 3.33Å
191A94.8Very high96.9Very high76 Ų7634.8 Ų34.863%0.62818%0.184SC*.Hα-helixtrans-58.2-43.9-178.800000113.4V193 L194 E195A191-V193 VanDerWaalsContact C-N 3.34Å; A191-V193 PolarHBondContact O-N 2.96Å; A191-L194 PolarHBondContact O-N 3.46Å; A191-E195 PolarHBondContact O-N 3.31Å
192A93.9Very high96.8Very high30 Ų3042.4 Ų42.425%0.24821%0.213CC..Hα-helixtrans-63.6-37.8178.100000112.6E131 H190 E195 K196E131-A192 VanDerWaalsContact OE2-CB 3.28Å; E131-A192 WeakPolarHBondContact OE2-CB 3.45Å; H190-A192 PolarHBondContact O-N 3.13Å; A192-E195 PolarHBondContact O-N 3.02Å; A192-K196 PolarHBondContact O-N 2.76Å; A192-K196 VanDerWaalsContact O-N 3.17Å
193V96.1Very high96.8Very high1 Ų141 Ų411%0.00620%0.202CC..Hα-helixtrans-65.6-46.9174.7178.70000109.9T133 L136 G167 D188 H190 A191 E195 K196 L197T133-V193 HydrophobicContact CG2-CG2 3.89Å; L136-V193 HydrophobicContact CD2-CB 4.33Å; L136-V193 HydrophobicContact CD2-CG2 3.79Å; L136-V193 HydrophobicContact CG-CG2 4.35Å; G167-V193 WeakPolarHBondContact O-CG1 3.5Å; D188-V193 HydrophobicContact CB-CB 4.47Å; D188-V193 HydrophobicContact CB-CG1 4.02Å; H190-V193 HydrophobicContact CB-CB 4.02Å; H190-V193 HydrophobicContact CB-CG2 3.69Å; H190-V193 PolarHBondContact O-N 3.4Å; H190-V193 VanDerWaalsContact O-N 3.17Å; A191-V193 VanDerWaalsContact C-N 3.34Å; A191-V193 PolarHBondContact O-N 2.96Å; V193-E195 VanDerWaalsContact C-N 3.31Å; V193-E195 PolarHBondContact O-N 3.15Å; V193-K196 PolarHBondContact O-N 3.23Å; V193-L197 WeakPolarHBondContact O-CB 3.05Å; V193-L197 PolarHBondContact O-N 3.3Å
194L97.6Very high96.8Very high4 Ų438.5 Ų38.52%0.02119%0.194CC..Hα-helixtrans-61.9-36.4178.8-67.6169.8000112.8D188 H190 A191 R198 V216 D217 Q218D188-L194 HydrophobicContact CB-CD2 3.79Å; D188-L194 HydrophobicContact CB-CG 4.14Å; H190-L194 WeakPolarHBondContact O-CG 3.42Å; H190-L194 PolarHBondContact O-N 3.33Å; A191-L194 PolarHBondContact O-N 3.46Å; L194-R198 VanDerWaalsContact O-CG 3.28Å; L194-R198 WeakPolarHBondContact O-CG 3.43Å; L194-R198 PolarHBondContact O-N 3.49Å; L194-R198 PolarHBondContact O-NH1 3.05Å; L194-V216 HydrophobicContact CD2-CG1 3.78Å; L194-D217 WeakPolarHBondContact CD2-O 3.47Å; L194-Q218 HydrophobicContact CD1-CB 3.69Å; L194-Q218 HydrophobicContact CD1-CG 3.91Å
195E96.6Very high96.5Very high137 Ų13740.8 Ų40.864%0.6422%0.217SC*.Hα-helixtrans-63.2-51.9174.6-175.9172.5-173.400111.4A191 A192 V193 L197 R198 E199A191-E195 PolarHBondContact O-N 3.31Å; A192-E195 PolarHBondContact O-N 3.02Å; V193-E195 VanDerWaalsContact C-N 3.31Å; V193-E195 PolarHBondContact O-N 3.15Å; E195-L197 VanDerWaalsContact C-N 3.32Å; E195-L197 PolarHBondContact O-N 3.06Å; E195-R198 WeakPolarHBondContact O-CB 3.44Å; E195-R198 PolarHBondContact O-N 2.74Å; E195-E199 PolarHBondContact O-N 3.43Å; E195-E199 VanDerWaalsContact O-N 3.14Å
196K96.3Very high96.3Very high15 Ų1541.7 Ų41.77%0.06522%0.222CC..Hα-helixtrans-61.2-40.9177.4-170.4157.2-69.91390112.3N125 L136 V168 A192 V193 R198 E199 N200N125-K196 WeakPolarHBondContact OD1-CE 3.25Å; N125-K196 PolarHBondContact OD1-NZ 2.68Å; L136-K196 HydrophobicContact CB-CD 4.48Å; L136-K196 HydrophobicContact CD2-CB 4.29Å; L136-K196 HydrophobicContact CD2-CD 3.9Å; V168-K196 HydrophobicContact CG1-CD 4.43Å; A192-K196 PolarHBondContact O-N 2.76Å; A192-K196 VanDerWaalsContact O-N 3.17Å; V193-K196 PolarHBondContact O-N 3.23Å; K196-R198 PolarHBondContact O-N 3.33Å; K196-E199 WeakPolarHBondContact O-CB 3.46Å; K196-E199 PolarHBondContact O-N 3.33Å; K196-E199 VanDerWaalsContact O-N 3.13Å; K196-N200 PolarHBondContact O-N 2.99Å
197L98Very high95.3Very high0 Ų044.2 Ų44.20%025%0.248CC..Hα-helixtrans-61.6-42.8176.3-17953.2000112G169 F186 V193 E195 E199 N200 V201 V216G169-L197 VanDerWaalsContact CA-CD1 3.41Å; F186-L197 HydrophobicContact CB-CD2 3.85Å; F186-L197 HydrophobicContact CB-CG 4.37Å; F186-L197 HydrophobicContact CD1-CD1 3.94Å; F186-L197 HydrophobicContact CD1-CD2 4.48Å; F186-L197 HydrophobicContact CE1-CD1 4.44Å; F186-L197 HydrophobicContact CG-CD1 4.42Å; V193-L197 WeakPolarHBondContact O-CB 3.05Å; V193-L197 PolarHBondContact O-N 3.3Å; E195-L197 VanDerWaalsContact C-N 3.32Å; E195-L197 PolarHBondContact O-N 3.06Å; L197-E199 VanDerWaalsContact C-N 3.26Å; L197-E199 PolarHBondContact O-N 2.9Å; L197-N200 PolarHBondContact O-N 3.07Å; L197-V201 HydrophobicContact CD1-CG2 4.18Å; L197-V201 WeakPolarHBondContact O-CB 3.18Å; L197-V201 VanDerWaalsContact O-CG2 3.26Å; L197-V201 WeakPolarHBondContact O-CG2 3.49Å; L197-V201 PolarHBondContact O-N 3.09Å; L197-V216 HydrophobicContact CB-CG1 4.43Å; L197-V216 HydrophobicContact CD2-CG1 3.93Å; L197-V216 HydrophobicContact CG-CG1 4.05Å; L197-V216 HydrophobicContact CG-CG2 4.34Å
198R97.8Very high93.8Very high104 Ų10449.1 Ų49.139%0.39228%0.281SS..Hα-helixtrans-61.9-35174-75.3178.4-165.5104.63112.2L194 E195 K196 R202 V216L194-R198 VanDerWaalsContact O-CG 3.28Å; L194-R198 WeakPolarHBondContact O-CG 3.43Å; L194-R198 PolarHBondContact O-N 3.49Å; L194-R198 PolarHBondContact O-NH1 3.05Å; E195-R198 WeakPolarHBondContact O-CB 3.44Å; E195-R198 PolarHBondContact O-N 2.74Å; K196-R198 PolarHBondContact O-N 3.33Å; R198-R202 WeakPolarHBondContact O-CG 3.42Å; R198-R202 PolarHBondContact O-N 3.44Å; R198-R202 PolarHBondContact O-NE 2.96Å; R198-V216 HydrophobicContact CG-CB 3.7Å; R198-V216 HydrophobicContact CG-CG1 3.78Å; R198-V216 HydrophobicContact CG-CG2 3.89Å; R198-V216 PolarHBondContact NH2-O 2.91Å
199E96.8Very high92.2Very high79 Ų7952.5 Ų52.537%0.36932%0.32SS..Hα-helixtrans-66.3-49.7173.3-173.3171.9-174.300111.4L123 E195 K196 L197 V201 R202 L203L123-E199 WeakPolarHBondContact CD2-OE2 3.19Å; E195-E199 PolarHBondContact O-N 3.43Å; E195-E199 VanDerWaalsContact O-N 3.14Å; K196-E199 WeakPolarHBondContact O-CB 3.46Å; K196-E199 PolarHBondContact O-N 3.33Å; K196-E199 VanDerWaalsContact O-N 3.13Å; L197-E199 VanDerWaalsContact C-N 3.26Å; L197-E199 PolarHBondContact O-N 2.9Å; E199-V201 PolarHBondContact O-N 3.45Å; E199-R202 PolarHBondContact O-N 2.94Å; E199-R202 VanDerWaalsContact O-N 3.16Å; E199-L203 VanDerWaalsContact O-CB 3.26Å; E199-L203 WeakPolarHBondContact O-CB 3.28Å; E199-L203 PolarHBondContact O-N 3.48Å
200N98.1Very high91.2Very high0 Ų057.7 Ų57.70%034%0.337CS..Hα-helixtrans-61.2-40.6178.8-75.5-21000113.1L122 L123 V168 I173 K196 L197 L203 N204L122-N200 HydrophobicContact CD2-CB 3.92Å; L123-N200 WeakPolarHBondContact CB-OD1 3.41Å; L123-N200 PolarHBondContact N-OD1 3.03Å; L123-N200 PolarHBondContact O-ND2 2.65Å; V168-N200 WeakPolarHBondContact O-CB 3.26Å; V168-N200 PolarHBondContact O-ND2 3.29Å; I173-N200 HydrophobicContact CD1-CB 4.1Å; K196-N200 PolarHBondContact O-N 2.99Å; L197-N200 PolarHBondContact O-N 3.07Å; N200-L203 PolarHBondContact O-N 3.21Å; N200-N204 PolarHBondContact O-N 2.83Å; N200-N204 VanDerWaalsContact O-N 3.1Å; N200-N204 PolarHBondContact O-ND2 3.27Å
201V97.4Very high90.5Very high7 Ų759.5 Ų59.54%0.04236%0.357CS..Hα-helixtrans-58.6-49.4174.11670000110.5F186 L197 E199 N204 L206 V214 V216F186-V201 HydrophobicContact CD2-CG2 4.02Å; F186-V201 HydrophobicContact CE1-CG2 4.44Å; F186-V201 HydrophobicContact CE2-CG2 3.87Å; F186-V201 HydrophobicContact CG-CG2 4.4Å; F186-V201 HydrophobicContact CZ-CG2 4.08Å; L197-V201 HydrophobicContact CD1-CG2 4.18Å; L197-V201 WeakPolarHBondContact O-CB 3.18Å; L197-V201 VanDerWaalsContact O-CG2 3.26Å; L197-V201 WeakPolarHBondContact O-CG2 3.49Å; L197-V201 PolarHBondContact O-N 3.09Å; E199-V201 PolarHBondContact O-N 3.45Å; V201-N204 PolarHBondContact O-N 3.49Å; V201-L206 HydrophobicContact CG1-CB 3.7Å; V201-L206 WeakPolarHBondContact O-CB 3.46Å; V201-L206 PolarHBondContact O-N 3Å; V201-L206 VanDerWaalsContact O-N 3.07Å; V201-V214 HydrophobicContact CG1-CG1 3.63Å; V201-V216 HydrophobicContact CG2-CG2 4.02Å
202R96Very high90.4Very high161 Ų16156.3 Ų56.361%0.60833%0.33SS*.Hα-helixtrans-65.1-42.2178.4-75.2178.1-71.8130.4-6.9112.4R198 E199 N204 G205R198-R202 WeakPolarHBondContact O-CG 3.42Å; R198-R202 PolarHBondContact O-N 3.44Å; R198-R202 PolarHBondContact O-NE 2.96Å; E199-R202 PolarHBondContact O-N 2.94Å; E199-R202 VanDerWaalsContact O-N 3.16Å; R202-N204 PolarHBondContact O-N 2.88Å; R202-G205 PolarHBondContact O-N 2.83Å
203L95.4Very high90.4Very high46 Ų4658 Ų5824%0.24134%0.34CS..Hα-helixtrans-58.9-34.8179.9-174.2158.4000111.3F63 S121 E199 N200 G205F63-L203 HydrophobicContact CD1-CD1 4.19Å; F63-L203 HydrophobicContact CD1-CD2 4.29Å; F63-L203 HydrophobicContact CE1-CD1 3.65Å; F63-L203 HydrophobicContact CE1-CD2 3.57Å; F63-L203 HydrophobicContact CE1-CG 3.63Å; F63-L203 HydrophobicContact CE2-CD2 4.2Å; F63-L203 HydrophobicContact CZ-CD1 4.39Å; F63-L203 HydrophobicContact CZ-CD2 3.5Å; F63-L203 VanDerWaalsContact CZ-CD2 3.5Å; F63-L203 HydrophobicContact CZ-CG 3.87Å; S121-L203 VanDerWaalsContact O-CD2 3.28Å; S121-L203 WeakPolarHBondContact O-CD2 3.43Å; E199-L203 VanDerWaalsContact O-CB 3.26Å; E199-L203 WeakPolarHBondContact O-CB 3.28Å; E199-L203 PolarHBondContact O-N 3.48Å; N200-L203 PolarHBondContact O-N 3.21Å; L203-G205 VanDerWaalsContact C-N 3.28Å; L203-G205 PolarHBondContact O-N 3.38Å
204N96.1Very high90.5Very high17 Ų1759 Ų599%0.09135%0.346CS..THydrogen-bonded Turntrans-88.715.5176.4-71.1-81.8000114I120 S121 I173 N200 V201 R202 L206I120-N204 WeakPolarHBondContact CA-OD1 3.33Å; S121-N204 PolarHBondContact N-OD1 2.92Å; S121-N204 PolarHBondContact O-ND2 3.31Å; I173-N204 HydrophobicContact CG2-CB 3.67Å; N200-N204 PolarHBondContact O-N 2.83Å; N200-N204 VanDerWaalsContact O-N 3.1Å; N200-N204 PolarHBondContact O-ND2 3.27Å; V201-N204 PolarHBondContact O-N 3.49Å; R202-N204 PolarHBondContact O-N 2.88Å; N204-L206 VanDerWaalsContact C-N 3.29Å; N204-L206 PolarHBondContact O-N 3.34Å
205G93.7Very high90.4Very high47 Ų4760.9 Ų60.949%0.48536%0.357SS..THydrogen-bonded Turntrans73.616.4173.400000114.8R202 L203R202-G205 PolarHBondContact O-N 2.83Å; L203-G205 VanDerWaalsContact C-N 3.28Å; L203-G205 PolarHBondContact O-N 3.38Å
206L93.3Very high90.5Very high19 Ų1955.2 Ų55.210%0.09933%0.332CS..  trans-93147.1175.8-58175.7000110.2I173 C176 V201 N204 V214I173-L206 HydrophobicContact CB-CD1 4.34Å; I173-L206 HydrophobicContact CG1-CD1 4.03Å; I173-L206 HydrophobicContact CG2-CD1 4.2Å; C176-L206 HydrophobicContact CB-CD1 3.66Å; C176-L206 HydrophobicContact CB-CD2 3.86Å; C176-L206 HydrophobicContact CB-CG 4.45Å; V201-L206 HydrophobicContact CG1-CB 3.7Å; V201-L206 WeakPolarHBondContact O-CB 3.46Å; V201-L206 PolarHBondContact O-N 3Å; V201-L206 VanDerWaalsContact O-N 3.07Å; N204-L206 VanDerWaalsContact C-N 3.29Å; N204-L206 PolarHBondContact O-N 3.34Å; L206-V214 HydrophobicContact CB-CG1 4.49Å; L206-V214 HydrophobicContact CB-CG2 4.27Å
207G76.4Confident90.5Very high53 Ų5356.4 Ų56.455%0.54634%0.339SS..SBendtrans103.9-0.5176.300000116.9G209G207-G209 PolarHBondContact O-N 2.96Å
208C67.5Low90.4Very high104 Ų10462.2 Ų62.270%0.70337%0.366SS*.SBendtrans-96.140.3-178-62.10000114.5K210C208-K210 PolarHBondContact O-N 3.12Å; C208-K210 VanDerWaalsContact O-N 3.14Å
209G64.9Low90.4Very high85 Ų8557.3 Ų57.388%0.87635%0.348SS*.SBendtrans66.514.3178.300000115.3G207G207-G209 PolarHBondContact O-N 2.96Å
210K72.6Confident90.3Very high159 Ų15956.1 Ų56.169%0.69134%0.344SS*.PPolyproline II helixtrans-88.1160.1171-64.6-178.8179.9178.70109.8C208 P212C208-K210 PolarHBondContact O-N 3.12Å; C208-K210 VanDerWaalsContact O-N 3.14Å; K210-P212 CarbonylContact O-C 3.22Å; K210-P212 VanDerWaalsContact O-C 3.22Å
211S80.5Confident90.2Very high105 Ų10557.5 Ų57.573%0.73435%0.349SS*.SBendtrans-75.3136.4168.1-1670000109.7
212P92.6Very high89.9Confident10 Ų1061.5 Ų61.57%0.06537%0.374CS..SBendcis-72.1153.8-3.426.7-32.8000114.2C176 P181 K210 V214C176-P212 HydrophobicContact CB-CG 3.85Å; P181-P212 HydrophobicContact CB-CB 4.5Å; P181-P212 HydrophobicContact CG-CB 3.9Å; P181-P212 HydrophobicContact CG-CG 3.96Å; P181-P212 WeakPolarHBondContact O-CB 3.3Å; K210-P212 CarbonylContact O-C 3.22Å; K210-P212 VanDerWaalsContact O-C 3.22Å; P212-V214 HydrophobicContact CB-CG2 4.4Å; P212-V214 HydrophobicContact CG-CG2 3.93Å; P212-V214 PolarHBondContact O-N 3.41Å
213S95.3Very high89.8Confident66 Ų6658.5 Ų58.546%0.46237%0.373SS..EExtended strand (participates in β ladder)trans-65.3113.3163.8175.50000109.5V182 R183 F184V182-S213 PolarHBondContact O-N 2.92Å; R183-S213 CarbonylContact C-O 3.59Å; R183-S213 VanDerWaalsContact CA-O 3.29Å; R183-S213 WeakPolarHBondContact CA-O 3.48Å; F184-S213 PolarHBondContact N-O 3.2Å
214V96.8Very high89.7Confident21 Ų2156.4 Ų56.413%0.12736%0.363CS..EExtended strand (participates in β ladder)trans-110.3131.8-175.9171.60000111.2F184 F186 V201 L206 P212F184-V214 HydrophobicContact CB-CG2 4.28Å; F184-V214 WeakPolarHBondContact O-CA 3.14Å; F186-V214 HydrophobicContact CD2-CG1 3.75Å; F186-V214 HydrophobicContact CE2-CG1 3.52Å; V201-V214 HydrophobicContact CG1-CG1 3.63Å; L206-V214 HydrophobicContact CB-CG1 4.49Å; L206-V214 HydrophobicContact CB-CG2 4.27Å; P212-V214 HydrophobicContact CB-CG2 4.4Å; P212-V214 HydrophobicContact CG-CG2 3.93Å; P212-V214 PolarHBondContact O-N 3.41Å
215T96.8Very high89.5Confident44 Ų4459 Ų5927%0.2738%0.38SS..EExtended strand (participates in β ladder)trans-131.8153.1171.961.80000111.7F184 F186F184-T215 PolarHBondContact O-N 2.99Å; F186-T215 PolarHBondContact N-O 3.25Å
216V97.6Very high89.5Confident18 Ų1860.9 Ų60.911%0.10938%0.377CS..EExtended strand (participates in β ladder)trans-122105.5175-179.50000108.4F186 L194 L197 R198 V201F186-V216 HydrophobicContact CB-CG2 4.09Å; F186-V216 HydrophobicContact CD2-CG2 4.39Å; F186-V216 WeakPolarHBondContact O-CA 3.11Å; L194-V216 HydrophobicContact CD2-CG1 3.78Å; L197-V216 HydrophobicContact CB-CG1 4.43Å; L197-V216 HydrophobicContact CD2-CG1 3.93Å; L197-V216 HydrophobicContact CG-CG1 4.05Å; L197-V216 HydrophobicContact CG-CG2 4.34Å; R198-V216 HydrophobicContact CG-CB 3.7Å; R198-V216 HydrophobicContact CG-CG1 3.78Å; R198-V216 HydrophobicContact CG-CG2 3.89Å; R198-V216 PolarHBondContact NH2-O 2.91Å; V201-V216 HydrophobicContact CG2-CG2 4.02Å
217D96.4Very high89.5Confident40 Ų4065.8 Ų65.821%0.21440%0.399CS..EExtended strand (participates in β ladder)trans-115.6146.1-171-74.32.6000111.2V185 F186 S187 L194V185-D217 HydrophobicContact CG1-CB 4.23Å; F186-D217 PolarHBondContact O-N 2.64Å; S187-D217 VanDerWaalsContact CA-O 3.26Å; S187-D217 WeakPolarHBondContact CA-O 3.46Å; L194-D217 WeakPolarHBondContact CD2-O 3.47Å
218Q97.3Very high90.4Very high121 Ų12164.5 Ų64.557%0.56538%0.379SS*.EExtended strand (participates in β ladder)trans-75.2128.9169-172178.60.200109.6D188 C189 L194 Q228D188-Q218 WeakPolarHBondContact O-CA 3.31Å; C189-Q218 PolarHBondContact O-NE2 3.33Å; L194-Q218 HydrophobicContact CD1-CB 3.69Å; L194-Q218 HydrophobicContact CD1-CG 3.91Å; Q218-Q228 PolarHBondContact O-NE2 3.47Å
219L97.1Very high91.7Very high1 Ų159.6 Ų59.61%0.00535%0.346CS..  trans-140.5101.8175.5-170.290.3000109.5L164 D188 A224 Q228 I229 L255L164-L219 HydrophobicContact CD2-CD2 3.33Å; D188-L219 PolarHBondContact O-N 2.92Å; L219-A224 HydrophobicContact CD1-CB 3.93Å; L219-A224 HydrophobicContact CG-CB 4.33Å; L219-Q228 HydrophobicContact CD1-CG 4.23Å; L219-I229 HydrophobicContact CD1-CD1 4.03Å; L219-L255 HydrophobicContact CD2-CD2 4Å
220D95.4Very high93.1Very high54 Ų5461.8 Ų61.829%0.28933%0.328SS..  trans-88.8120.9170.1175.9-6.8000109.3C189 T222 T223 A224C189-D220 HydrophobicContact CB-CB 4.15Å; D220-T222 PolarHBondContact O-N 3.39Å; D220-T222 WeakPolarHBondContact OD1-CB 3.49Å; D220-T222 PolarHBondContact OD1-N 3.31Å; D220-T222 PolarHBondContact OD1-OG1 3.36Å; D220-T222 PolarHBondContact OD2-OG1 2.96Å; D220-T223 WeakPolarHBondContact CB-OG1 3.29Å; D220-T223 VanDerWaalsContact CG-OG1 3.31Å; D220-T223 PolarHBondContact O-N 2.98Å; D220-T223 PolarHBondContact OD2-OG1 3.13Å; D220-T223 VanDerWaalsContact OD2-OG1 3.12Å; D220-A224 WeakPolarHBondContact O-CA 3.49Å; D220-A224 VanDerWaalsContact O-CB 3.22Å; D220-A224 WeakPolarHBondContact O-CB 2.92Å; D220-A224 PolarHBondContact O-N 2.98Å
221W94.9Very high94.1Very high30 Ų3060.9 Ų60.911%0.11432%0.32CS..THydrogen-bonded Turntrans-64.1-26.6-174.3-50.9-17.6000112.6L164 V242 V248 L252 L255L164-W221 HydrophobicContact CB-CZ2 4.39Å; W221-V242 HydrophobicContact CH2-CB 3.54Å; W221-V242 HydrophobicContact CH2-CG1 3.63Å; W221-V242 HydrophobicContact CZ2-CB 4.36Å; W221-V242 HydrophobicContact CZ2-CG1 4.02Å; W221-V242 HydrophobicContact CZ3-CB 4.16Å; W221-V248 HydrophobicContact CE3-CG1 3.49Å; W221-V248 VanDerWaalsContact CE3-CG1 3.49Å; W221-V248 HydrophobicContact CH2-CG1 4.27Å; W221-V248 HydrophobicContact CZ3-CG1 3.17Å; W221-L252 HydrophobicContact CD2-CD1 4.28Å; W221-L252 HydrophobicContact CE3-CB 3.9Å; W221-L252 HydrophobicContact CE3-CD1 4.05Å; W221-L252 HydrophobicContact CE3-CG 4.45Å; W221-L252 HydrophobicContact CZ3-CB 4.25Å; W221-L252 HydrophobicContact CZ3-CD1 4.25Å; W221-L252 HydrophobicContact CZ3-CD2 4.42Å; W221-L255 HydrophobicContact CB-CB 4.44Å; W221-L255 HydrophobicContact CB-CD2 3.89Å; W221-L255 HydrophobicContact CG-CD2 3.68Å
222T92.3Very high94.8Very high90 Ų9056 Ų5655%0.55229%0.285SS*.THydrogen-bonded Turntrans-76.2-31.9-179.868.20000112.6D220D220-T222 PolarHBondContact O-N 3.39Å; D220-T222 WeakPolarHBondContact OD1-CB 3.49Å; D220-T222 PolarHBondContact OD1-N 3.31Å; D220-T222 PolarHBondContact OD1-OG1 3.36Å; D220-T222 PolarHBondContact OD2-OG1 2.96Å
223T92.9Very high94.8Very high98 Ų9864.1 Ų64.160%0.60132%0.315SS*.THydrogen-bonded Turntrans-120.1-2.6-17054.70000114.2D220 P225D220-T223 WeakPolarHBondContact CB-OG1 3.29Å; D220-T223 VanDerWaalsContact CG-OG1 3.31Å; D220-T223 PolarHBondContact O-N 2.98Å; D220-T223 PolarHBondContact OD2-OG1 3.13Å; D220-T223 VanDerWaalsContact OD2-OG1 3.12Å; T223-P225 VanDerWaalsContact O-CD 3.3Å; T223-P225 WeakPolarHBondContact O-CD 3.33Å; T223-P225 VanDerWaalsContact O-N 3.12Å
224A93.1Very high94.9Very high3 Ų361 Ų613%0.02529%0.293CS..  trans-54.9115.4-177.400000112.3L219 D220 L255 K258L219-A224 HydrophobicContact CD1-CB 3.93Å; L219-A224 HydrophobicContact CG-CB 4.33Å; D220-A224 WeakPolarHBondContact O-CA 3.49Å; D220-A224 VanDerWaalsContact O-CB 3.22Å; D220-A224 WeakPolarHBondContact O-CB 2.92Å; D220-A224 PolarHBondContact O-N 2.98Å; A224-L255 HydrophobicContact CB-CD1 4.08Å; A224-K258 PolarHBondContact O-NZ 3.09Å
225P92.9Very high94.9Very high70 Ų7063.2 Ų63.246%0.45530%0.304SS..  trans-73.8147.5179.629.3-33.5000111.1T223 E227 Q228 I229T223-P225 VanDerWaalsContact O-CD 3.3Å; T223-P225 WeakPolarHBondContact O-CD 3.33Å; T223-P225 VanDerWaalsContact O-N 3.12Å; P225-E227 PolarHBondContact O-N 2.76Å; P225-E227 VanDerWaalsContact O-N 3.15Å; P225-Q228 HydrophobicContact CG-CB 3.87Å; P225-Q228 WeakPolarHBondContact O-CB 3.29Å; P225-Q228 PolarHBondContact O-N 2.84Å; P225-I229 PolarHBondContact O-N 2.96Å
226E93.1Very high95Very high88 Ų8861.1 Ų61.141%0.41129%0.291SS..Hα-helixtrans-55.8-33.9177.2-70-170.7175.900112.8Q228 I229 R230 K258E226-Q228 VanDerWaalsContact C-N 3.32Å; E226-Q228 PolarHBondContact O-N 3.49Å; E226-I229 PolarHBondContact O-N 2.85Å; E226-I229 VanDerWaalsContact O-N 3.15Å; E226-R230 WeakPolarHBondContact O-CG 3.36Å; E226-R230 PolarHBondContact O-N 2.81Å; E226-R230 IonicContact OE2-CZ 3.51Å; E226-R230 IonicContact OE2-NH1 3.8Å; E226-R230 IonicContact OE2-NH2 2.74Å; E226-R230 PolarHBondContact OE2-NH2 2.77Å; E226-K258 HydrophobicContact CG-CD 3.98Å; E226-K258 HydrophobicContact CG-CG 3.98Å
227E94.1Very high95.1Very high121 Ų12160.2 Ų60.257%0.56529%0.286SS*.Hα-helixtrans-62.6-38.1179-17255-148.800112.4P225 I229 R230 R231P225-E227 PolarHBondContact O-N 2.76Å; P225-E227 VanDerWaalsContact O-N 3.15Å; E227-I229 VanDerWaalsContact C-N 3.33Å; E227-I229 PolarHBondContact O-N 3.48Å; E227-R230 PolarHBondContact O-N 3.12Å; E227-R231 WeakPolarHBondContact O-CB 3.49Å; E227-R231 PolarHBondContact O-N 2.97Å
228Q94.3Very high95.2Very high27 Ų2758.3 Ų58.313%0.12628%0.276CS..Hα-helixtrans-63.3-42.8174.6-179.3174.813.800110.6Q218 L219 P225 E226 R231 I232Q218-Q228 PolarHBondContact O-NE2 3.47Å; L219-Q228 HydrophobicContact CD1-CG 4.23Å; P225-Q228 HydrophobicContact CG-CB 3.87Å; P225-Q228 WeakPolarHBondContact O-CB 3.29Å; P225-Q228 PolarHBondContact O-N 2.84Å; E226-Q228 VanDerWaalsContact C-N 3.32Å; E226-Q228 PolarHBondContact O-N 3.49Å; Q228-R231 PolarHBondContact O-N 3.13Å; Q228-I232 HydrophobicContact CG-CD1 4.08Å; Q228-I232 VanDerWaalsContact O-CG1 3.32Å; Q228-I232 WeakPolarHBondContact O-CG1 3.24Å; Q228-I232 PolarHBondContact O-N 2.92Å
229I94.8Very high95.2Very high0 Ų052.6 Ų52.60%025%0.249CC..Hα-helixtrans-65.4-43.8178.6-53.7-54.9000111.3L219 P225 E226 E227 R231 I232 R233 L255 K258 I259 C262L219-I229 HydrophobicContact CD1-CD1 4.03Å; P225-I229 PolarHBondContact O-N 2.96Å; E226-I229 PolarHBondContact O-N 2.85Å; E226-I229 VanDerWaalsContact O-N 3.15Å; E227-I229 VanDerWaalsContact C-N 3.33Å; E227-I229 PolarHBondContact O-N 3.48Å; I229-R231 VanDerWaalsContact C-N 3.3Å; I229-R231 PolarHBondContact O-N 3.13Å; I229-I232 PolarHBondContact O-N 3.32Å; I229-R233 PolarHBondContact O-N 2.95Å; I229-L255 HydrophobicContact CD1-CD1 3.89Å; I229-L255 HydrophobicContact CG1-CD1 4.47Å; I229-K258 HydrophobicContact CG1-CD 4.26Å; I229-I259 HydrophobicContact CD1-CG1 4.38Å; I229-I259 HydrophobicContact CG2-CB 4.37Å; I229-I259 HydrophobicContact CG2-CG1 3.79Å; I229-C262 HydrophobicContact CG2-CB 4Å
230R94.3Very high95.3Very high132 Ų13253.2 Ų53.250%0.49825%0.254SS..Hα-helixtrans-62.6-34.9175.8-72.9-178.8-175.4134.111.5112.7E226 E227 C262E226-R230 WeakPolarHBondContact O-CG 3.36Å; E226-R230 PolarHBondContact O-N 2.81Å; E226-R230 IonicContact OE2-CZ 3.51Å; E226-R230 IonicContact OE2-NH1 3.8Å; E226-R230 IonicContact OE2-NH2 2.74Å; E226-R230 PolarHBondContact OE2-NH2 2.77Å; E227-R230 PolarHBondContact O-N 3.12Å; R230-C262 HydrophobicContact CG-CB 4.17Å
231R94.4Very high95.2Very high140 Ų14051.2 Ų51.253%0.52824%0.244SC..Hα-helixtrans-70.9-35.9175.6-174.6-177.968.6-144.33.4112.8R183 E227 Q228 I229R183-R231 PolarHBondContact NH1-O 3.36Å; E227-R231 WeakPolarHBondContact O-CB 3.49Å; E227-R231 PolarHBondContact O-N 2.97Å; Q228-R231 PolarHBondContact O-N 3.13Å; I229-R231 VanDerWaalsContact C-N 3.3Å; I229-R231 PolarHBondContact O-N 3.13Å
232I93.9Very high95.2Very high2 Ų250.1 Ų50.11%0.0124%0.24CC..Hα-helixtrans-70.6-45.4175.6-65.3163.9000109.7S160 L162 V185 Q228 I229 P234S160-I232 PolarHBondContact OG-O 3.27Å; L162-I232 HydrophobicContact CB-CG2 4.15Å; L162-I232 HydrophobicContact CD1-CD1 4.32Å; L162-I232 HydrophobicContact CD1-CG2 4.42Å; L162-I232 HydrophobicContact CD2-CD1 4.43Å; L162-I232 HydrophobicContact CD2-CG2 4.29Å; V185-I232 HydrophobicContact CB-CG2 4.42Å; V185-I232 HydrophobicContact CG1-CD1 4.49Å; V185-I232 HydrophobicContact CG2-CG2 4.05Å; Q228-I232 HydrophobicContact CG-CD1 4.08Å; Q228-I232 VanDerWaalsContact O-CG1 3.32Å; Q228-I232 WeakPolarHBondContact O-CG1 3.24Å; Q228-I232 PolarHBondContact O-N 2.92Å; I229-I232 PolarHBondContact O-N 3.32Å; I232-P234 HydrophobicContact CG2-CB 4.24Å; I232-P234 HydrophobicContact CG2-CG 4.29Å
233R94.2Very high95.2Very high180 Ų18046.3 Ų46.368%0.67922%0.216SC*.  trans43.462.9-178.2-167.5-179.8174.4172.8-1.4111.5I229I229-R233 PolarHBondContact O-N 2.95Å
234P96.6Very high95Very high1 Ų147.1 Ų47.11%0.00621%0.209CC..  trans-72.9136.2-176.830.9-31.9000110.5L162 I232 V237 I259 A266L162-P234 HydrophobicContact CB-CB 3.76Å; L162-P234 HydrophobicContact CB-CG 4.24Å; L162-P234 HydrophobicContact CD2-CG 4.26Å; I232-P234 HydrophobicContact CG2-CB 4.24Å; I232-P234 HydrophobicContact CG2-CG 4.29Å; P234-V237 HydrophobicContact CB-CG2 3.84Å; P234-V237 HydrophobicContact CG-CG2 3.67Å; P234-I259 HydrophobicContact CG-CG2 4.22Å; P234-A266 WeakPolarHBondContact O-CB 3.33Å
235D97.8Very high94.7Very high67 Ų6749.6 Ų49.636%0.35822%0.222SC..SBendtrans-83.4-30.9167.1-54.1-59000110.4R159 S160 A266 E267R159-D235 HydrophobicContact CB-CB 3.99Å; R159-D235 HydrophobicContact CG-CB 4.08Å; S160-D235 WeakPolarHBondContact CB-OD2 3.39Å; S160-D235 PolarHBondContact N-OD2 2.88Å; S160-D235 PolarHBondContact O-N 3.49Å; D235-A266 CarbonylContact O-C 3.53Å; D235-A266 WeakPolarHBondContact O-CA 3.5Å; D235-E267 PolarHBondContact O-N 3.41Å
236T98.4Very high94.4Very high0 Ų050 Ų500%023%0.225CC..EExtended strand (participates in β ladder)trans-130.6133.9176.9-57.60000109.3V155 F156 R159 S160 V161 L162 I238 E267V155-T236 HydrophobicContact CG1-CG2 4.01Å; V155-T236 PolarHBondContact O-OG1 3.31Å; F156-T236 HydrophobicContact CD1-CG2 4.16Å; F156-T236 HydrophobicContact CE1-CG2 3.9Å; R159-T236 VanDerWaalsContact CD-OG1 3.29Å; R159-T236 WeakPolarHBondContact CD-OG1 3.39Å; R159-T236 PolarHBondContact NH1-OG1 2.91Å; S160-T236 PolarHBondContact O-N 3.2Å; S160-T236 VanDerWaalsContact O-N 3.14Å; V161-T236 CarbonylContact C-O 3.58Å; V161-T236 VanDerWaalsContact CA-O 3.3Å; V161-T236 WeakPolarHBondContact CA-O 3.12Å; L162-T236 PolarHBondContact N-O 2.75Å; T236-I238 HydrophobicContact CG2-CG2 4.11Å; T236-E267 CarbonylContact C-O 3.59Å; T236-E267 VanDerWaalsContact CA-O 3.31Å; T236-E267 WeakPolarHBondContact CA-O 3.48Å
237V98.8Very high94Very high0 Ų053.6 Ų53.60%024%0.242CC..EExtended strand (participates in β ladder)trans-118.6131.5171.8-176.30000108.8L162 L164 P234 I259 E267 I268 L269L162-V237 HydrophobicContact CB-CG2 4.35Å; L162-V237 CarbonylContact O-C 3.39Å; L162-V237 VanDerWaalsContact O-CA 3.27Å; L162-V237 WeakPolarHBondContact O-CA 3.41Å; L164-V237 HydrophobicContact CD1-CG1 3.71Å; L164-V237 HydrophobicContact CG-CG1 3.77Å; P234-V237 HydrophobicContact CB-CG2 3.84Å; P234-V237 HydrophobicContact CG-CG2 3.67Å; V237-I259 HydrophobicContact CG1-CD1 4.44Å; V237-I259 HydrophobicContact CG2-CD1 4.41Å; V237-I259 HydrophobicContact CG2-CG2 3.96Å; V237-E267 PolarHBondContact N-O 3.08Å; V237-I268 HydrophobicContact CB-CB 4.46Å; V237-I268 HydrophobicContact CB-CG1 4.09Å; V237-I268 HydrophobicContact CB-CG2 4.35Å; V237-I268 HydrophobicContact CG2-CG1 4.32Å; V237-I268 CarbonylContact O-C 3.48Å; V237-I268 WeakPolarHBondContact O-CA 3.27Å; V237-L269 PolarHBondContact O-N 3.22Å
238I98.8Very high93.6Very high0 Ų049.4 Ų49.40%022%0.224CC..EExtended strand (participates in β ladder)trans-123.8149176.162.5173.6000110.6L145 F156 V161 L162 E163 L164 T171 V175 F184 T236 L269L145-I238 HydrophobicContact CD2-CB 4.1Å; F156-I238 HydrophobicContact CE1-CD1 4.5Å; F156-I238 HydrophobicContact CE1-CG2 3.72Å; F156-I238 HydrophobicContact CZ-CG2 4.16Å; V161-I238 HydrophobicContact CG1-CD1 4.45Å; V161-I238 HydrophobicContact CG1-CG1 4.37Å; L162-I238 PolarHBondContact O-N 2.85Å; E163-I238 CarbonylContact C-O 3.55Å; E163-I238 VanDerWaalsContact CA-O 3.31Å; E163-I238 WeakPolarHBondContact CA-O 3.43Å; E163-I238 HydrophobicContact CB-CD1 4.29Å; E163-I238 HydrophobicContact CB-CG1 3.83Å; E163-I238 HydrophobicContact CG-CD1 4.31Å; E163-I238 HydrophobicContact CG-CG1 3.97Å; L164-I238 PolarHBondContact N-O 2.92Å; T171-I238 HydrophobicContact CG2-CD1 3.84Å; V175-I238 HydrophobicContact CG2-CD1 4.4Å; F184-I238 HydrophobicContact CE2-CD1 4.33Å; F184-I238 HydrophobicContact CZ-CD1 4.06Å; T236-I238 HydrophobicContact CG2-CG2 4.11Å; I238-L269 CarbonylContact C-O 3.58Å; I238-L269 VanDerWaalsContact CA-O 3.31Å; I238-L269 WeakPolarHBondContact CA-O 3.23Å; I238-L269 HydrophobicContact CG2-CB 4.28Å; I238-L269 HydrophobicContact CG2-CD1 4.36Å
239A98.4Very high93.4Very high0 Ų048.2 Ų48.20%022%0.219CC..EExtended strand (participates in β ladder)trans-148.4136.6170.200000109.8L164 V242 L269 I270 C271L164-A239 HydrophobicContact CB-CB 4.01Å; A239-V242 HydrophobicContact CB-CB 4.38Å; A239-V242 HydrophobicContact CB-CG1 3.96Å; A239-V242 HydrophobicContact CB-CG2 3.51Å; A239-L269 PolarHBondContact N-O 3.43Å; A239-I270 HydrophobicContact CB-CD1 3.6Å; A239-C271 PolarHBondContact O-N 3.37Å
240A97.8Very high93.2Very high14 Ų1449.1 Ų49.112%0.11623%0.228CC..EExtended strand (participates in β ladder)trans-122.3124.6179.800000110.6A142 L145 V242 C271A142-A240 HydrophobicContact CB-CB 3.9Å; L145-A240 HydrophobicContact CD2-CB 4.1Å; A240-V242 VanDerWaalsContact C-N 3.28Å; A240-V242 PolarHBondContact O-N 3.43Å; A240-C271 CarbonylContact C-O 3.53Å; A240-C271 WeakPolarHBondContact CA-O 3.47Å
241D94Very high93.3Very high13 Ų1344.3 Ų44.37%0.0722%0.215CC..SBendtrans5832.2176.9-134.516.2000115.5W139 A141 C271 T273 R275W139-D241 HydrophobicContact CB-CB 4.02Å; W139-D241 WeakPolarHBondContact CB-OD2 3.21Å; W139-D241 HydrophobicContact CG-CB 4.47Å; A141-D241 HydrophobicContact CB-CB 3.85Å; D241-C271 PolarHBondContact N-O 2.91Å; D241-T273 PolarHBondContact OD1-N 3.37Å; D241-R275 IonicContact OD1-CZ 2.68Å; D241-R275 IonicContact OD1-NH1 3.83Å; D241-R275 PolarHBondContact OD1-NH1 3.29Å; D241-R275 IonicContact OD1-NH2 3.25Å; D241-R275 IonicContact OD2-CZ 3.41Å; D241-R275 VanDerWaalsContact OD2-CZ 3.22Å; D241-R275 IonicContact OD2-NH1 2.87Å; D241-R275 PolarHBondContact OD2-NH1 2.63Å; D241-R275 IonicContact OD2-NH2 3.23Å; D241-R275 PolarHBondContact OD2-NH2 3.39Å
242V93.7Very high93.3Very high6 Ų637.6 Ų37.64%0.03619%0.19CC..  trans-86.3-3.2-178.8-67.50000114.6L164 W221 A239 A240 L252 I270L164-V242 WeakPolarHBondContact O-CG1 3.47Å; W221-V242 HydrophobicContact CH2-CB 3.54Å; W221-V242 HydrophobicContact CH2-CG1 3.63Å; W221-V242 HydrophobicContact CZ2-CB 4.36Å; W221-V242 HydrophobicContact CZ2-CG1 4.02Å; W221-V242 HydrophobicContact CZ3-CB 4.16Å; A239-V242 HydrophobicContact CB-CB 4.38Å; A239-V242 HydrophobicContact CB-CG1 3.96Å; A239-V242 HydrophobicContact CB-CG2 3.51Å; A240-V242 VanDerWaalsContact C-N 3.28Å; A240-V242 PolarHBondContact O-N 3.43Å; V242-L252 HydrophobicContact CB-CD2 4.41Å; V242-L252 HydrophobicContact CG2-CD2 3.69Å; V242-I270 HydrophobicContact CG2-CG2 4.14Å
243V93.3Very high93.4Very high10 Ų1037.6 Ų37.66%0.06119%0.19CC..  trans-107.278.6-177.2-171.90000109.5L252 I270 Y280 F283V243-L252 HydrophobicContact CG2-CD2 4.21Å; V243-I270 HydrophobicContact CG2-CG2 4.24Å; V243-Y280 HydrophobicContact CB-CD2 4.41Å; V243-Y280 HydrophobicContact CG1-CD2 4.02Å; V243-F283 HydrophobicContact CB-CD1 4.48Å; V243-F283 HydrophobicContact CG1-CB 3.54Å; V243-F283 HydrophobicContact CG1-CD1 3.94Å; V243-F283 HydrophobicContact CG1-CD2 4.49Å; V243-F283 HydrophobicContact CG1-CG 3.75Å; V243-F283 HydrophobicContact CG2-CD1 3.71Å; V243-F283 HydrophobicContact CG2-CD2 4.35Å; V243-F283 HydrophobicContact CG2-CE1 3.78Å; V243-F283 HydrophobicContact CG2-CE2 4.42Å; V243-F283 HydrophobicContact CG2-CG 4Å; V243-F283 HydrophobicContact CG2-CZ 4.14Å
244Y87.7Confident93.5Very high115 Ų11533.8 Ų33.845%0.45118%0.183SC..  trans-126.3-19.3-177.760.8-94.1000113.9
245D86.9Confident93.5Very high55 Ų5533.8 Ų33.829%0.29418%0.183SC..  trans-128.2125.4-179-173-26.5000110E247 V248 A249D245-E247 PolarHBondContact O-N 2.88Å; D245-E247 WeakPolarHBondContact OD1-CB 3.46Å; D245-E247 PolarHBondContact OD1-N 3.12Å; D245-V248 HydrophobicContact CB-CB 4.1Å; D245-V248 HydrophobicContact CB-CG2 3.86Å; D245-V248 PolarHBondContact O-N 3.49Å; D245-V248 VanDerWaalsContact O-N 3.12Å; D245-A249 PolarHBondContact O-N 3.05Å
246P86.6Confident93.4Very high79 Ų7930.6 Ų30.651%0.51317%0.166SC..Hα-helixtrans-54.2-31.6175.1-25.734.6000115T279P246-T279 HydrophobicContact CG-CG2 4.14Å
247E84.7Confident93.3Very high163 Ų16331.9 Ų31.976%0.76217%0.172SC*.Hα-helixtrans-68.6-38.8178.1-63.3-170.6176.100111.2D245D245-E247 PolarHBondContact O-N 2.88Å; D245-E247 WeakPolarHBondContact OD1-CB 3.46Å; D245-E247 PolarHBondContact OD1-N 3.12Å
248V86.6Confident93.2Very high33 Ų3334.1 Ų34.120%0.218%0.182CC..Hα-helixtrans-72.8-33.5178.9176.60000111.4W221 D245 G250 S251 L252W221-V248 HydrophobicContact CE3-CG1 3.49Å; W221-V248 VanDerWaalsContact CE3-CG1 3.49Å; W221-V248 HydrophobicContact CH2-CG1 4.27Å; W221-V248 HydrophobicContact CZ3-CG1 3.17Å; D245-V248 HydrophobicContact CB-CB 4.1Å; D245-V248 HydrophobicContact CB-CG2 3.86Å; D245-V248 PolarHBondContact O-N 3.49Å; D245-V248 VanDerWaalsContact O-N 3.12Å; V248-G250 VanDerWaalsContact C-N 3.3Å; V248-G250 PolarHBondContact O-N 3.3Å; V248-S251 PolarHBondContact O-N 3.2Å; V248-L252 WeakPolarHBondContact O-CB 3.09Å; V248-L252 PolarHBondContact O-N 2.93Å
249A89.8Confident93.1Very high3 Ų334.1 Ų34.13%0.02518%0.182CC..Hα-helixtrans-57.5-38.5-178.200000113.6D245 A253 F283D245-A249 PolarHBondContact O-N 3.05Å; A249-A253 PolarHBondContact O-N 2.95Å; A249-A253 VanDerWaalsContact O-N 3.09Å; A249-F283 HydrophobicContact CB-CB 4.05Å; A249-F283 HydrophobicContact CB-CD2 4.06Å
250G91.6Very high93Very high18 Ų1834.6 Ų34.619%0.18619%0.185CC..Hα-helixtrans-66.3-49.5176.400000112.1V248 L252 A253 D254V248-G250 VanDerWaalsContact C-N 3.3Å; V248-G250 PolarHBondContact O-N 3.3Å; G250-L252 VanDerWaalsContact C-N 3.27Å; G250-L252 PolarHBondContact O-N 2.98Å; G250-A253 PolarHBondContact O-N 2.84Å; G250-A253 VanDerWaalsContact O-N 3.13Å; G250-D254 PolarHBondContact O-N 3.44Å
251S94.4Very high92.8Very high31 Ų3139.8 Ų39.822%0.21721%0.205CC..Hα-helixtrans-60.9-37.3178.7-54.50000112.2V248 L255V248-S251 PolarHBondContact O-N 3.2Å; S251-L255 WeakPolarHBondContact O-CB 3.47Å; S251-L255 PolarHBondContact O-N 2.81Å
252L96.3Very high92.7Very high0 Ų040.9 Ų40.90%021%0.213CC..Hα-helixtrans-63-50.4173.1-178.759.1000111L164 W221 V242 V243 V248 G250 D254 L255 L256 F283L164-L252 HydrophobicContact CD1-CD1 4.02Å; W221-L252 HydrophobicContact CD2-CD1 4.28Å; W221-L252 HydrophobicContact CE3-CB 3.9Å; W221-L252 HydrophobicContact CE3-CD1 4.05Å; W221-L252 HydrophobicContact CE3-CG 4.45Å; W221-L252 HydrophobicContact CZ3-CB 4.25Å; W221-L252 HydrophobicContact CZ3-CD1 4.25Å; W221-L252 HydrophobicContact CZ3-CD2 4.42Å; V242-L252 HydrophobicContact CB-CD2 4.41Å; V242-L252 HydrophobicContact CG2-CD2 3.69Å; V243-L252 HydrophobicContact CG2-CD2 4.21Å; V248-L252 WeakPolarHBondContact O-CB 3.09Å; V248-L252 PolarHBondContact O-N 2.93Å; G250-L252 VanDerWaalsContact C-N 3.27Å; G250-L252 PolarHBondContact O-N 2.98Å; L252-D254 VanDerWaalsContact C-N 3.32Å; L252-D254 PolarHBondContact O-N 3.11Å; L252-L255 WeakPolarHBondContact O-CB 3.48Å; L252-L255 PolarHBondContact O-N 2.93Å; L252-L255 VanDerWaalsContact O-N 3.14Å; L252-L256 HydrophobicContact CD1-CD2 4.17Å; L252-L256 HydrophobicContact CD1-CG 4.25Å; L252-L256 HydrophobicContact CG-CD1 4.47Å; L252-L256 HydrophobicContact CG-CG 4.41Å; L252-L256 VanDerWaalsContact O-CG 3.32Å; L252-L256 WeakPolarHBondContact O-CG 3.5Å; L252-L256 PolarHBondContact O-N 3.38Å; L252-F283 HydrophobicContact CB-CE2 4.48Å; L252-F283 HydrophobicContact CD2-CE2 3.74Å; L252-F283 HydrophobicContact CD2-CZ 4.01Å; L252-F283 HydrophobicContact CG-CE2 4.09Å
253A95.8Very high92.6Very high2 Ų241.4 Ų41.42%0.01722%0.217CC..Hα-helixtrans-57.8-43.2179.300000112.4A249 G250 L255 L256 L257 R286 L287A249-A253 PolarHBondContact O-N 2.95Å; A249-A253 VanDerWaalsContact O-N 3.09Å; G250-A253 PolarHBondContact O-N 2.84Å; G250-A253 VanDerWaalsContact O-N 3.13Å; A253-L255 PolarHBondContact O-N 3.35Å; A253-L256 PolarHBondContact O-N 3.42Å; A253-L257 PolarHBondContact O-N 3.11Å; A253-R286 HydrophobicContact CB-CB 4.22Å; A253-L287 HydrophobicContact CB-CD2 4Å
254D95Very high92.4Very high100 Ų10045.3 Ų45.354%0.53525%0.25SS..Hα-helixtrans-63.2-40.6176.4-73.5-23000112.1G250 L252 L257 K258G250-D254 PolarHBondContact O-N 3.44Å; L252-D254 VanDerWaalsContact C-N 3.32Å; L252-D254 PolarHBondContact O-N 3.11Å; D254-L257 PolarHBondContact O-N 3.28Å; D254-K258 WeakPolarHBondContact O-CB 3.39Å; D254-K258 PolarHBondContact O-N 2.66Å
255L96.6Very high92.6Very high1 Ų144.5 Ų44.51%0.00527%0.267CS..Hα-helixtrans-64.3-44.4174.5177.664.5000111.7L164 L219 W221 A224 I229 S251 L252 A253 L257 K258 I259L164-L255 HydrophobicContact CD1-CD2 4.19Å; L164-L255 HydrophobicContact CD2-CD2 4.03Å; L219-L255 HydrophobicContact CD2-CD2 4Å; W221-L255 HydrophobicContact CB-CB 4.44Å; W221-L255 HydrophobicContact CB-CD2 3.89Å; W221-L255 HydrophobicContact CG-CD2 3.68Å; A224-L255 HydrophobicContact CB-CD1 4.08Å; I229-L255 HydrophobicContact CD1-CD1 3.89Å; I229-L255 HydrophobicContact CG1-CD1 4.47Å; S251-L255 WeakPolarHBondContact O-CB 3.47Å; S251-L255 PolarHBondContact O-N 2.81Å; L252-L255 WeakPolarHBondContact O-CB 3.48Å; L252-L255 PolarHBondContact O-N 2.93Å; L252-L255 VanDerWaalsContact O-N 3.14Å; A253-L255 PolarHBondContact O-N 3.35Å; L255-L257 VanDerWaalsContact C-N 3.32Å; L255-L257 PolarHBondContact O-N 2.82Å; L255-K258 WeakPolarHBondContact O-CB 3.41Å; L255-K258 PolarHBondContact O-N 3.05Å; L255-K258 VanDerWaalsContact O-N 3.14Å; L255-I259 HydrophobicContact CD1-CD1 4.29Å; L255-I259 HydrophobicContact CD1-CG1 4.37Å; L255-I259 HydrophobicContact CG-CD1 4Å; L255-I259 HydrophobicContact CG-CG1 4.5Å; L255-I259 WeakPolarHBondContact O-CG1 3.39Å; L255-I259 PolarHBondContact O-N 3.23Å
256L97.2Very high93Very high0 Ų042.3 Ų42.30%026%0.257CS..Hα-helixtrans-61.1-42.4177.9-62.9-172000111.3L164 L252 A253 K258 I259 L260 I268 I270 L287 L292 V318L164-L256 HydrophobicContact CD1-CD2 3.8Å; L252-L256 HydrophobicContact CD1-CD2 4.17Å; L252-L256 HydrophobicContact CD1-CG 4.25Å; L252-L256 HydrophobicContact CG-CD1 4.47Å; L252-L256 HydrophobicContact CG-CG 4.41Å; L252-L256 VanDerWaalsContact O-CG 3.32Å; L252-L256 WeakPolarHBondContact O-CG 3.5Å; L252-L256 PolarHBondContact O-N 3.38Å; A253-L256 PolarHBondContact O-N 3.42Å; L256-K258 VanDerWaalsContact C-N 3.34Å; L256-K258 PolarHBondContact O-N 2.87Å; L256-I259 HydrophobicContact CD2-CD1 4.48Å; L256-I259 PolarHBondContact O-N 3.31Å; L256-L260 WeakPolarHBondContact O-CG 3.46Å; L256-L260 PolarHBondContact O-N 3.14Å; L256-I268 HydrophobicContact CB-CD1 4.35Å; L256-I268 HydrophobicContact CD1-CG2 4.19Å; L256-I268 HydrophobicContact CD2-CD1 4.27Å; L256-I268 HydrophobicContact CD2-CG2 3.8Å; L256-I270 HydrophobicContact CD1-CD1 4.2Å; L256-I270 HydrophobicContact CD1-CG1 4.27Å; L256-I270 HydrophobicContact CD2-CD1 4.39Å; L256-L287 HydrophobicContact CD1-CD2 4.01Å; L256-L292 HydrophobicContact CB-CD1 4.07Å; L256-V318 HydrophobicContact CD1-CG1 4.33Å; L256-V318 HydrophobicContact CD1-CG2 4.23Å
257L96Very high93.5Very high26 Ų2640.2 Ų40.214%0.13624%0.24CC..Hα-helixtrans-61.4-43173.8178.863.1000111.5A253 D254 L255 I259 L260 K261 A290 L292A253-L257 PolarHBondContact O-N 3.11Å; D254-L257 PolarHBondContact O-N 3.28Å; L255-L257 VanDerWaalsContact C-N 3.32Å; L255-L257 PolarHBondContact O-N 2.82Å; L257-I259 VanDerWaalsContact C-N 3.35Å; L257-L260 PolarHBondContact O-N 3.35Å; L257-K261 HydrophobicContact CG-CD 4.36Å; L257-K261 WeakPolarHBondContact O-CG 3.28Å; L257-K261 PolarHBondContact O-N 3.21Å; L257-A290 HydrophobicContact CD2-CB 4.46Å; L257-L292 HydrophobicContact CB-CD1 4.16Å; L257-L292 HydrophobicContact CB-CD2 4.46Å; L257-L292 HydrophobicContact CD1-CD2 3.9Å; L257-L292 HydrophobicContact CD1-CG 4.48Å
258K95.7Very high94.1Very high48 Ų4832.5 Ų32.521%0.20920%0.204CC..Hα-helixtrans-61.8-41.7176.7-173.5-174.5-67.7164.60111.7A224 E226 I229 D254 L255 L256 K261 C262A224-K258 PolarHBondContact O-NZ 3.09Å; E226-K258 HydrophobicContact CG-CD 3.98Å; E226-K258 HydrophobicContact CG-CG 3.98Å; I229-K258 HydrophobicContact CG1-CD 4.26Å; D254-K258 WeakPolarHBondContact O-CB 3.39Å; D254-K258 PolarHBondContact O-N 2.66Å; L255-K258 WeakPolarHBondContact O-CB 3.41Å; L255-K258 PolarHBondContact O-N 3.05Å; L255-K258 VanDerWaalsContact O-N 3.14Å; L256-K258 VanDerWaalsContact C-N 3.34Å; L256-K258 PolarHBondContact O-N 2.87Å; K258-K261 PolarHBondContact O-N 2.89Å; K258-C262 PolarHBondContact O-N 2.96Å; K258-C262 VanDerWaalsContact O-N 3.11Å; K258-C262 PolarHBondContact O-SG 3.01Å
259I96.8Very high94.7Very high0 Ų030.9 Ų30.90%019%0.194CC..Hα-helixtrans-60.5-50.8174.5-70.4167.1000110.4L162 L164 I229 P234 V237 L255 L256 L257 K261 C262 S263 A266 I268L162-I259 HydrophobicContact CD2-CD1 4.37Å; L164-I259 HydrophobicContact CD1-CD1 4.4Å; I229-I259 HydrophobicContact CD1-CG1 4.38Å; I229-I259 HydrophobicContact CG2-CB 4.37Å; I229-I259 HydrophobicContact CG2-CG1 3.79Å; P234-I259 HydrophobicContact CG-CG2 4.22Å; V237-I259 HydrophobicContact CG1-CD1 4.44Å; V237-I259 HydrophobicContact CG2-CD1 4.41Å; V237-I259 HydrophobicContact CG2-CG2 3.96Å; L255-I259 HydrophobicContact CD1-CD1 4.29Å; L255-I259 HydrophobicContact CD1-CG1 4.37Å; L255-I259 HydrophobicContact CG-CD1 4Å; L255-I259 HydrophobicContact CG-CG1 4.5Å; L255-I259 WeakPolarHBondContact O-CG1 3.39Å; L255-I259 PolarHBondContact O-N 3.23Å; L256-I259 HydrophobicContact CD2-CD1 4.48Å; L256-I259 PolarHBondContact O-N 3.31Å; L257-I259 VanDerWaalsContact C-N 3.35Å; I259-K261 VanDerWaalsContact C-N 3.27Å; I259-K261 PolarHBondContact O-N 3.01Å; I259-C262 CarbonylContact O-C 3.5Å; I259-C262 PolarHBondContact O-N 3.4Å; I259-S263 PolarHBondContact O-N 3.03Å; I259-A266 HydrophobicContact CG2-CB 4.3Å; I259-I268 HydrophobicContact CB-CD1 4.46Å; I259-I268 HydrophobicContact CG2-CD1 4.07Å
260L96.2Very high95.1Very high10 Ų1030.8 Ų30.85%0.05219%0.193CC..Hα-helixtrans-65.1-28.3180-70.7169.5000113L256 L257 S263 A264 A266 I268 L292 R320L256-L260 WeakPolarHBondContact O-CG 3.46Å; L256-L260 PolarHBondContact O-N 3.14Å; L257-L260 PolarHBondContact O-N 3.35Å; L260-S263 CarbonylContact O-C 3.57Å; L260-A264 WeakPolarHBondContact O-CA 3.44Å; L260-A264 PolarHBondContact O-N 3.42Å; L260-A266 HydrophobicContact CD2-CB 4.5Å; L260-I268 HydrophobicContact CD1-CD1 3.99Å; L260-I268 HydrophobicContact CD2-CD1 3.81Å; L260-I268 HydrophobicContact CD2-CG1 4.27Å; L260-I268 HydrophobicContact CG-CD1 3.6Å; L260-L292 HydrophobicContact CD1-CD2 3.57Å; L260-R320 HydrophobicContact CD1-CB 4.4Å
261K93.9Very high95.4Very high123 Ų12329.9 Ų29.954%0.53518%0.184SC..Hα-helixtrans-69.1-36.4170.8-75.4173.3179.8173.50112.5L257 K258 I259L257-K261 HydrophobicContact CG-CD 4.36Å; L257-K261 WeakPolarHBondContact O-CG 3.28Å; L257-K261 PolarHBondContact O-N 3.21Å; K258-K261 PolarHBondContact O-N 2.89Å; I259-K261 VanDerWaalsContact C-N 3.27Å; I259-K261 PolarHBondContact O-N 3.01Å
262C92.5Very high95.5Very high36 Ų3628.5 Ų28.524%0.24317%0.174CC..Hα-helixtrans-81.7-32.3179.4-64.20000112.7I229 R230 K258 I259I229-C262 HydrophobicContact CG2-CB 4Å; R230-C262 HydrophobicContact CG-CB 4.17Å; K258-C262 PolarHBondContact O-N 2.96Å; K258-C262 VanDerWaalsContact O-N 3.11Å; K258-C262 PolarHBondContact O-SG 3.01Å; I259-C262 CarbonylContact O-C 3.5Å; I259-C262 PolarHBondContact O-N 3.4Å
263S91.4Very high95.5Very high16 Ų1628.9 Ų28.911%0.11218%0.177CC..  trans-138.582.8-177.1-59.50000109.1I259 L260 A265 A266I259-S263 PolarHBondContact O-N 3.03Å; L260-S263 CarbonylContact O-C 3.57Å; S263-A265 PolarHBondContact O-N 3.15Å; S263-A265 VanDerWaalsContact O-N 3.12Å; S263-A266 WeakPolarHBondContact O-CB 3.31Å; S263-A266 PolarHBondContact O-N 3.34Å
264A89.1Confident95.4Very high92 Ų9230.3 Ų30.376%0.7618%0.184SC*.THydrogen-bonded Turntrans-61.7-22.3-174.600000114.3L260L260-A264 WeakPolarHBondContact O-CA 3.44Å; L260-A264 PolarHBondContact O-N 3.42Å
265A90.9Very high95.3Very high98 Ų9831.9 Ų31.981%0.8118%0.182SC*.THydrogen-bonded Turntrans-91.92176.700000113.5S263 E267S263-A265 PolarHBondContact O-N 3.15Å; S263-A265 VanDerWaalsContact O-N 3.12Å; A265-E267 PolarHBondContact O-N 2.99Å
266A95.4Very high95.1Very high9 Ų935.5 Ų35.57%0.07420%0.202CC..  trans-65.2131.8-17800000111.1P234 D235 I259 L260 S263P234-A266 WeakPolarHBondContact O-CB 3.33Å; D235-A266 CarbonylContact O-C 3.53Å; D235-A266 WeakPolarHBondContact O-CA 3.5Å; I259-A266 HydrophobicContact CG2-CB 4.3Å; L260-A266 HydrophobicContact CD2-CB 4.5Å; S263-A266 WeakPolarHBondContact O-CB 3.31Å; S263-A266 PolarHBondContact O-N 3.34Å
267E96.6Very high94.9Very high36 Ų3642.2 Ų42.217%0.16824%0.237CC..EExtended strand (participates in β ladder)trans-93.1113.9175.8-178.5155.1-147.300109.7R159 D235 T236 V237 A265 L269 K317R159-E267 IonicContact CZ-OE2 3.8Å; R159-E267 IonicContact NH1-OE2 2.86Å; R159-E267 PolarHBondContact NH1-OE2 2.87Å; R159-E267 IonicContact NH2-OE2 3.98Å; D235-E267 PolarHBondContact O-N 3.41Å; T236-E267 CarbonylContact C-O 3.59Å; T236-E267 VanDerWaalsContact CA-O 3.31Å; T236-E267 WeakPolarHBondContact CA-O 3.48Å; V237-E267 PolarHBondContact N-O 3.08Å; A265-E267 PolarHBondContact O-N 2.99Å; E267-L269 HydrophobicContact CG-CD2 4.41Å; E267-K317 WeakPolarHBondContact OE1-CE 3.38Å; E267-K317 IonicContact OE1-NZ 2.76Å; E267-K317 PolarHBondContact OE1-NZ 3.15Å
268I98.4Very high94.8Very high0 Ų048.8 Ų48.80%027%0.267CS..EExtended strand (participates in β ladder)trans-107.8121.8-174.3-55.6-174000109.9V237 L256 I259 L260 I270 K317 V318V237-I268 HydrophobicContact CB-CB 4.46Å; V237-I268 HydrophobicContact CB-CG1 4.09Å; V237-I268 HydrophobicContact CB-CG2 4.35Å; V237-I268 HydrophobicContact CG2-CG1 4.32Å; V237-I268 CarbonylContact O-C 3.48Å; V237-I268 WeakPolarHBondContact O-CA 3.27Å; L256-I268 HydrophobicContact CB-CD1 4.35Å; L256-I268 HydrophobicContact CD1-CG2 4.19Å; L256-I268 HydrophobicContact CD2-CD1 4.27Å; L256-I268 HydrophobicContact CD2-CG2 3.8Å; I259-I268 HydrophobicContact CB-CD1 4.46Å; I259-I268 HydrophobicContact CG2-CD1 4.07Å; L260-I268 HydrophobicContact CD1-CD1 3.99Å; L260-I268 HydrophobicContact CD2-CD1 3.81Å; L260-I268 HydrophobicContact CD2-CG1 4.27Å; L260-I268 HydrophobicContact CG-CD1 3.6Å; I268-I270 HydrophobicContact CG2-CD1 4.05Å; I268-I270 HydrophobicContact CG2-CG1 4.3Å; I268-K317 CarbonylContact O-C 3.5Å; I268-K317 VanDerWaalsContact O-CA 3.3Å; I268-K317 WeakPolarHBondContact O-CA 3.4Å; I268-V318 HydrophobicContact CB-CB 4.16Å; I268-V318 HydrophobicContact CG2-CB 4.1Å; I268-V318 HydrophobicContact CG2-CG2 4.45Å; I268-V318 PolarHBondContact O-N 2.94Å
269L98.6Very high94.6Very high0 Ų047.6 Ų47.60%026%0.264CS..EExtended strand (participates in β ladder)trans-120.4122.4-179-56177.8000110.5W148 V155 V237 I238 A239 E267 L297 L315 I316 K317W148-L269 HydrophobicContact CE3-CD1 4.35Å; W148-L269 HydrophobicContact CH2-CD1 3.7Å; W148-L269 HydrophobicContact CZ3-CD1 3.46Å; W148-L269 VanDerWaalsContact CZ3-CD1 3.46Å; V155-L269 HydrophobicContact CG1-CD1 4.04Å; V237-L269 PolarHBondContact O-N 3.22Å; I238-L269 CarbonylContact C-O 3.58Å; I238-L269 VanDerWaalsContact CA-O 3.31Å; I238-L269 WeakPolarHBondContact CA-O 3.23Å; I238-L269 HydrophobicContact CG2-CB 4.28Å; I238-L269 HydrophobicContact CG2-CD1 4.36Å; A239-L269 PolarHBondContact N-O 3.43Å; E267-L269 HydrophobicContact CG-CD2 4.41Å; L269-L297 HydrophobicContact CD2-CD1 3.66Å; L269-L315 HydrophobicContact CB-CD1 4.21Å; L269-I316 WeakPolarHBondContact CA-O 3.31Å; L269-K317 HydrophobicContact CD2-CB 4.11Å; L269-K317 HydrophobicContact CD2-CG 4.34Å
270I98.3Very high94.6Very high0 Ų048.1 Ų48.10%027%0.266CS..EExtended strand (participates in β ladder)trans-119.9121178.8-49.6-63.9000108.3A239 V242 V243 L256 I268 F283 L315 I316 V318A239-I270 HydrophobicContact CB-CD1 3.6Å; V242-I270 HydrophobicContact CG2-CG2 4.14Å; V243-I270 HydrophobicContact CG2-CG2 4.24Å; L256-I270 HydrophobicContact CD1-CD1 4.2Å; L256-I270 HydrophobicContact CD1-CG1 4.27Å; L256-I270 HydrophobicContact CD2-CD1 4.39Å; I268-I270 HydrophobicContact CG2-CD1 4.05Å; I268-I270 HydrophobicContact CG2-CG1 4.3Å; I270-F283 HydrophobicContact CG2-CE1 4.33Å; I270-F283 HydrophobicContact CG2-CZ 4.47Å; I270-L315 WeakPolarHBondContact O-CA 3.5Å; I270-I316 HydrophobicContact CB-CD1 4.36Å; I270-I316 HydrophobicContact CB-CG1 3.87Å; I270-I316 PolarHBondContact N-O 3.06Å; I270-I316 PolarHBondContact O-N 3.36Å; I270-V318 HydrophobicContact CG1-CG2 4.13Å
271C98.1Very high94.5Very high0 Ų049 Ų490%028%0.277CS..EExtended strand (participates in β ladder)trans-108.9129.3175.9-166.20000109.8A141 Y144 L145 A239 A240 D241 I313 E314 L315A141-C271 HydrophobicContact CB-CB 4.35Å; Y144-C271 VanDerWaalsContact CD1-SG 3.52Å; L145-C271 HydrophobicContact CB-CB 3.93Å; L145-C271 HydrophobicContact CD1-CB 4.4Å; L145-C271 HydrophobicContact CD2-CB 3.98Å; L145-C271 HydrophobicContact CG-CB 4.33Å; A239-C271 PolarHBondContact O-N 3.37Å; A240-C271 CarbonylContact C-O 3.53Å; A240-C271 WeakPolarHBondContact CA-O 3.47Å; D241-C271 PolarHBondContact N-O 2.91Å; C271-I313 VanDerWaalsContact SG-CG2 3.52Å; C271-E314 WeakPolarHBondContact CA-O 3.34Å; C271-L315 HydrophobicContact CB-CD1 3.94Å
272S97Very high94.6Very high1 Ų144.6 Ų44.61%0.00727%0.266CS..EExtended strand (participates in β ladder)trans-134.9133.3-177.7-61.20000111.4Y280 I313 E314S272-Y280 VanDerWaalsContact CB-CE2 3.49Å; S272-I313 WeakPolarHBondContact O-CA 3.48Å; S272-E314 PolarHBondContact N-O 3.37Å; S272-E314 PolarHBondContact O-N 3.31Å
273T96.1Very high94.8Very high9 Ų942.9 Ų42.96%0.05526%0.255CS..EExtended strand (participates in β ladder)trans-80.7114.9162.5-57.60000108A141 D241 R275 A311 I313A141-T273 PolarHBondContact N-OG1 3.03Å; D241-T273 PolarHBondContact OD1-N 3.37Å; T273-R275 HydrophobicContact CG2-CG 4.28Å; T273-R275 PolarHBondContact O-N 3.05Å; T273-A311 HydrophobicContact CG2-CB 4.42Å; T273-I313 HydrophobicContact CG2-CG1 4.31Å
274I94.3Very high95Very high31 Ų3144 Ų4416%0.15926%0.257CS..  trans-78.489.2-173.9-54.5175.1000109.8L277 Y280 P312 E314I274-L277 HydrophobicContact CG2-CD2 3.76Å; I274-L277 HydrophobicContact CG2-CG 4.44Å; I274-Y280 HydrophobicContact CD1-CD1 3.71Å; I274-Y280 HydrophobicContact CD1-CE1 3.61Å; I274-Y280 HydrophobicContact CG1-CD1 3.81Å; I274-Y280 HydrophobicContact CG1-CE1 3.93Å; I274-Y280 HydrophobicContact CG1-CG 4.14Å; I274-Y280 HydrophobicContact CG2-CD1 4.29Å; I274-Y280 HydrophobicContact CG2-CG 4.41Å; I274-P312 HydrophobicContact CB-CB 4.24Å; I274-P312 HydrophobicContact CB-CG 4.22Å; I274-P312 WeakPolarHBondContact CB-O 3.43Å; I274-P312 WeakPolarHBondContact CG1-O 3.36Å; I274-P312 PolarHBondContact N-O 3.44Å; I274-P312 VanDerWaalsContact O-CG 3.26Å; I274-P312 WeakPolarHBondContact O-CG 3.44Å; I274-E314 HydrophobicContact CD1-CB 3.87Å; I274-E314 HydrophobicContact CG1-CB 4.48Å
275R91.4Very high95.4Very high133 Ų13344.9 Ų44.950%0.50225%0.249SC..SBendtrans-87.3-30.6177-61.7-178.6-173.284.23113.2D241 T273D241-R275 IonicContact OD1-CZ 2.68Å; D241-R275 IonicContact OD1-NH1 3.83Å; D241-R275 PolarHBondContact OD1-NH1 3.29Å; D241-R275 IonicContact OD1-NH2 3.25Å; D241-R275 IonicContact OD2-CZ 3.41Å; D241-R275 VanDerWaalsContact OD2-CZ 3.22Å; D241-R275 IonicContact OD2-NH1 2.87Å; D241-R275 PolarHBondContact OD2-NH1 2.63Å; D241-R275 IonicContact OD2-NH2 3.23Å; D241-R275 PolarHBondContact OD2-NH2 3.39Å; T273-R275 HydrophobicContact CG2-CG 4.28Å; T273-R275 PolarHBondContact O-N 3.05Å
276N93Very high95.6Very high78 Ų7847.4 Ų47.442%0.41724%0.238SC..  trans-135.8118.3177.7-176.7-53.2000109.1E278 T279 Y280N276-E278 VanDerWaalsContact C-N 3.33Å; N276-E278 PolarHBondContact O-N 2.8Å; N276-E278 WeakPolarHBondContact OD1-CA 3.49Å; N276-E278 VanDerWaalsContact OD1-CB 3.28Å; N276-E278 WeakPolarHBondContact OD1-CB 3.43Å; N276-E278 PolarHBondContact OD1-N 2.97Å; N276-T279 PolarHBondContact OD1-N 3.4Å; N276-T279 PolarHBondContact OD1-OG1 2.97Å; N276-Y280 WeakPolarHBondContact O-CB 3.32Å; N276-Y280 PolarHBondContact O-N 3.42Å; N276-Y280 VanDerWaalsContact O-N 3.12Å
277L93.2Very high95.7Very high141 Ų14147 Ų4774%0.73823%0.234SC*.Hα-helixtrans-66.7-33.2-177.8-72.5169.7000112.8I274 G281I274-L277 HydrophobicContact CG2-CD2 3.76Å; I274-L277 HydrophobicContact CG2-CG 4.44Å; L277-G281 PolarHBondContact O-N 3.21Å
278E93.8Very high95.7Very high164 Ų16450.3 Ų50.377%0.76625%0.25SC*.Hα-helixtrans-70.2-46178.7-174.9-179.9-173.600110.9N276 Y280 G281 G282N276-E278 VanDerWaalsContact C-N 3.33Å; N276-E278 PolarHBondContact O-N 2.8Å; N276-E278 WeakPolarHBondContact OD1-CA 3.49Å; N276-E278 VanDerWaalsContact OD1-CB 3.28Å; N276-E278 WeakPolarHBondContact OD1-CB 3.43Å; N276-E278 PolarHBondContact OD1-N 2.97Å; E278-Y280 PolarHBondContact O-N 3.48Å; E278-G281 PolarHBondContact O-N 3.46Å; E278-G282 PolarHBondContact O-N 3.04Å
279T92.6Very high95.5Very high22 Ų2254.5 Ų54.514%0.13528%0.284CS..Hα-helixtrans-59.7-47.3175.6-53.30000111.1P246 N276 G282 F283P246-T279 HydrophobicContact CG-CG2 4.14Å; N276-T279 PolarHBondContact OD1-N 3.4Å; N276-T279 PolarHBondContact OD1-OG1 2.97Å; T279-G282 PolarHBondContact O-N 2.67Å; T279-F283 PolarHBondContact O-N 2.99Å
280Y95.3Very high95.3Very high12 Ų1255.8 Ų55.85%0.04730%0.295CS..Hα-helixtrans-69.7-42-178.6-169.4-116.7000112.6V243 S272 I274 N276 E278 G282 F283 K284 E314V243-Y280 HydrophobicContact CB-CD2 4.41Å; V243-Y280 HydrophobicContact CG1-CD2 4.02Å; S272-Y280 VanDerWaalsContact CB-CE2 3.49Å; I274-Y280 HydrophobicContact CD1-CD1 3.71Å; I274-Y280 HydrophobicContact CD1-CE1 3.61Å; I274-Y280 HydrophobicContact CG1-CD1 3.81Å; I274-Y280 HydrophobicContact CG1-CE1 3.93Å; I274-Y280 HydrophobicContact CG1-CG 4.14Å; I274-Y280 HydrophobicContact CG2-CD1 4.29Å; I274-Y280 HydrophobicContact CG2-CG 4.41Å; N276-Y280 WeakPolarHBondContact O-CB 3.32Å; N276-Y280 PolarHBondContact O-N 3.42Å; N276-Y280 VanDerWaalsContact O-N 3.12Å; E278-Y280 PolarHBondContact O-N 3.48Å; Y280-G282 VanDerWaalsContact C-N 3.32Å; Y280-G282 PolarHBondContact O-N 3.07Å; Y280-F283 HydrophobicContact CE2-CD1 4.39Å; Y280-F283 WeakPolarHBondContact O-CB 3.27Å; Y280-F283 PolarHBondContact O-N 2.9Å; Y280-K284 HydrophobicContact CE1-CD 4.32Å; Y280-K284 PolarHBondContact O-N 3.31Å; Y280-E314 HydrophobicContact CE1-CB 4.33Å; Y280-E314 PolarHBondContact OH-OE1 3.21Å
281G95.3Very high95.2Very high28 Ų2858 Ų5829%0.28932%0.318SS..Hα-helixtrans-61.9-40.6172.800000112.1L277 E278 F283 K284 L285L277-G281 PolarHBondContact O-N 3.21Å; E278-G281 PolarHBondContact O-N 3.46Å; G281-F283 VanDerWaalsContact C-N 3.33Å; G281-F283 PolarHBondContact O-N 3.36Å; G281-K284 PolarHBondContact O-N 3.04Å; G281-L285 WeakPolarHBondContact O-CG 3.34Å; G281-L285 PolarHBondContact O-N 3.27Å
282G95.4Very high95.1Very high30 Ų3058.2 Ų58.231%0.30932%0.319SS..Hα-helixtrans-58.8-41.717400000112.5E278 T279 Y280 L285 R286E278-G282 PolarHBondContact O-N 3.04Å; T279-G282 PolarHBondContact O-N 2.67Å; Y280-G282 VanDerWaalsContact C-N 3.32Å; Y280-G282 PolarHBondContact O-N 3.07Å; G282-L285 PolarHBondContact O-N 3.33Å; G282-R286 VanDerWaalsContact O-CG 3.28Å; G282-R286 WeakPolarHBondContact O-CG 3.26Å; G282-R286 PolarHBondContact O-N 2.78Å
283F96.6Very high95.1Very high0 Ų059.2 Ų59.20%033%0.33CS..Hα-helixtrans-60.7-45.6173.7170.1-116.2000112.5V243 A249 L252 I270 T279 Y280 G281 L285 R286 L287 I316V243-F283 HydrophobicContact CB-CD1 4.48Å; V243-F283 HydrophobicContact CG1-CB 3.54Å; V243-F283 HydrophobicContact CG1-CD1 3.94Å; V243-F283 HydrophobicContact CG1-CD2 4.49Å; V243-F283 HydrophobicContact CG1-CG 3.75Å; V243-F283 HydrophobicContact CG2-CD1 3.71Å; V243-F283 HydrophobicContact CG2-CD2 4.35Å; V243-F283 HydrophobicContact CG2-CE1 3.78Å; V243-F283 HydrophobicContact CG2-CE2 4.42Å; V243-F283 HydrophobicContact CG2-CG 4Å; V243-F283 HydrophobicContact CG2-CZ 4.14Å; A249-F283 HydrophobicContact CB-CB 4.05Å; A249-F283 HydrophobicContact CB-CD2 4.06Å; L252-F283 HydrophobicContact CB-CE2 4.48Å; L252-F283 HydrophobicContact CD2-CE2 3.74Å; L252-F283 HydrophobicContact CD2-CZ 4.01Å; L252-F283 HydrophobicContact CG-CE2 4.09Å; I270-F283 HydrophobicContact CG2-CE1 4.33Å; I270-F283 HydrophobicContact CG2-CZ 4.47Å; T279-F283 PolarHBondContact O-N 2.99Å; Y280-F283 HydrophobicContact CE2-CD1 4.39Å; Y280-F283 WeakPolarHBondContact O-CB 3.27Å; Y280-F283 PolarHBondContact O-N 2.9Å; G281-F283 VanDerWaalsContact C-N 3.33Å; G281-F283 PolarHBondContact O-N 3.36Å; F283-L285 VanDerWaalsContact C-N 3.35Å; F283-L285 PolarHBondContact O-N 3.42Å; F283-R286 WeakPolarHBondContact O-CB 3.42Å; F283-R286 PolarHBondContact O-N 2.81Å; F283-R286 VanDerWaalsContact O-N 3.1Å; F283-L287 HydrophobicContact CD1-CD1 4.4Å; F283-L287 HydrophobicContact CD2-CG 4.47Å; F283-L287 HydrophobicContact CE1-CD1 3.82Å; F283-L287 HydrophobicContact CE1-CG 4.39Å; F283-L287 HydrophobicContact CE2-CD1 4.31Å; F283-L287 HydrophobicContact CE2-CD2 3.89Å; F283-L287 HydrophobicContact CE2-CG 4.03Å; F283-L287 HydrophobicContact CZ-CD1 3.77Å; F283-L287 HydrophobicContact CZ-CD2 3.94Å; F283-L287 HydrophobicContact CZ-CG 4Å; F283-L287 PolarHBondContact O-N 3.07Å; F283-I316 HydrophobicContact CE1-CD1 3.98Å
284K96.6Very high95.2Very high39 Ų3961 Ų6117%0.1734%0.337CS..Hα-helixtrans-60.1-43.2176.4-70.4178.5170.4-177.60112.2Y280 G281 R286 L287 E288 H294 E314Y280-K284 HydrophobicContact CE1-CD 4.32Å; Y280-K284 PolarHBondContact O-N 3.31Å; G281-K284 PolarHBondContact O-N 3.04Å; K284-R286 VanDerWaalsContact C-N 3.29Å; K284-R286 PolarHBondContact O-N 3.29Å; K284-L287 WeakPolarHBondContact O-CB 3.41Å; K284-L287 PolarHBondContact O-N 3.46Å; K284-E288 WeakPolarHBondContact O-CG 3.44Å; K284-E288 PolarHBondContact O-N 3.18Å; K284-H294 WeakPolarHBondContact CD-NE2 3.49Å; K284-E314 WeakPolarHBondContact CE-OE1 3.41Å; K284-E314 IonicContact NZ-OE1 3.98Å; K284-E314 PolarHBondContact NZ-OE1 3.24Å; K284-E314 IonicContact NZ-OE2 3.37Å; K284-E314 PolarHBondContact NZ-OE2 3Å
285L96.2Very high95.3Very high112 Ų11265 Ų6559%0.58636%0.355SS*.Hα-helixtrans-62.2-35.3174.7-69172.9000112.4G281 G282 F283 E288 A289G281-L285 WeakPolarHBondContact O-CG 3.34Å; G281-L285 PolarHBondContact O-N 3.27Å; G282-L285 PolarHBondContact O-N 3.33Å; F283-L285 VanDerWaalsContact C-N 3.35Å; F283-L285 PolarHBondContact O-N 3.42Å; L285-E288 PolarHBondContact O-N 2.69Å; L285-A289 WeakPolarHBondContact O-CB 3.48Å; L285-A289 PolarHBondContact O-N 2.71Å
286R95.9Very high95.6Very high150 Ų15062.4 Ų62.457%0.56635%0.354SS*.Hα-helixtrans-67.8-39.4174.8-68.9-69.5-173.3179.22.1112.2A253 G282 F283 K284 A289 A290A253-R286 HydrophobicContact CB-CB 4.22Å; G282-R286 VanDerWaalsContact O-CG 3.28Å; G282-R286 WeakPolarHBondContact O-CG 3.26Å; G282-R286 PolarHBondContact O-N 2.78Å; F283-R286 WeakPolarHBondContact O-CB 3.42Å; F283-R286 PolarHBondContact O-N 2.81Å; F283-R286 VanDerWaalsContact O-N 3.1Å; K284-R286 VanDerWaalsContact C-N 3.29Å; K284-R286 PolarHBondContact O-N 3.29Å; R286-A289 PolarHBondContact O-N 2.99Å; R286-A290 WeakPolarHBondContact O-CB 3.48Å; R286-A290 PolarHBondContact O-N 3.11Å
287L97Very high95.8Very high0 Ų060.5 Ų60.50%034%0.344CS..Hα-helixtrans-58.1-50.6172.4-65.9177.4000110.5A253 L256 F283 K284 A289 A290 G291 L292 H294 I316 V318A253-L287 HydrophobicContact CB-CD2 4Å; L256-L287 HydrophobicContact CD1-CD2 4.01Å; F283-L287 HydrophobicContact CD1-CD1 4.4Å; F283-L287 HydrophobicContact CD2-CG 4.47Å; F283-L287 HydrophobicContact CE1-CD1 3.82Å; F283-L287 HydrophobicContact CE1-CG 4.39Å; F283-L287 HydrophobicContact CE2-CD1 4.31Å; F283-L287 HydrophobicContact CE2-CD2 3.89Å; F283-L287 HydrophobicContact CE2-CG 4.03Å; F283-L287 HydrophobicContact CZ-CD1 3.77Å; F283-L287 HydrophobicContact CZ-CD2 3.94Å; F283-L287 HydrophobicContact CZ-CG 4Å; F283-L287 PolarHBondContact O-N 3.07Å; K284-L287 WeakPolarHBondContact O-CB 3.41Å; K284-L287 PolarHBondContact O-N 3.46Å; L287-A289 PolarHBondContact O-N 2.82Å; L287-A290 CarbonylContact O-C 3.36Å; L287-A290 WeakPolarHBondContact O-CB 3.5Å; L287-A290 PolarHBondContact O-N 3.14Å; L287-A290 VanDerWaalsContact O-N 3.11Å; L287-G291 PolarHBondContact O-N 3.09Å; L287-L292 CarbonylContact C-O 3.56Å; L287-L292 HydrophobicContact CB-CB 4.19Å; L287-L292 HydrophobicContact CD2-CD1 3.92Å; L287-L292 WeakPolarHBondContact O-CA 3.35Å; L287-L292 WeakPolarHBondContact O-CB 3.44Å; L287-L292 PolarHBondContact O-N 2.7Å; L287-H294 HydrophobicContact CD1-CB 4.28Å; L287-I316 HydrophobicContact CD1-CD1 4.08Å; L287-V318 HydrophobicContact CD1-CG2 4.08Å; L287-V318 HydrophobicContact CD2-CG1 4.32Å
288E96.4Very high95.8Very high107 Ų10759.6 Ų59.650%0.534%0.344SS..Hα-helixtrans-60.7-44179.6-69.8173-173.900112.2K284 L285 A290 G291 H294K284-E288 WeakPolarHBondContact O-CG 3.44Å; K284-E288 PolarHBondContact O-N 3.18Å; L285-E288 PolarHBondContact O-N 2.69Å; E288-A290 PolarHBondContact O-N 2.81Å; E288-G291 WeakPolarHBondContact O-CA 3.32Å; E288-G291 PolarHBondContact O-N 3.02Å; E288-H294 IonicContact OE1-CE1 2.73Å; E288-H294 PolarHBondContact OE1-CE1 2.99Å
289A94.9Very high95.6Very high87 Ų8752.7 Ų52.772%0.71932%0.317SS*.Hα-helixtrans-63.2-29.9176.600000113L285 R286 L287 G291L285-A289 WeakPolarHBondContact O-CB 3.48Å; L285-A289 PolarHBondContact O-N 2.71Å; R286-A289 PolarHBondContact O-N 2.99Å; L287-A289 PolarHBondContact O-N 2.82Å; A289-G291 PolarHBondContact O-N 2.91Å
290A94.5Very high95.4Very high27 Ų2752.5 Ų52.522%0.22332%0.316CS..THydrogen-bonded Turntrans-79.3-0.8172.800000113.2L257 R286 L287 E288 L292L257-A290 HydrophobicContact CD2-CB 4.46Å; R286-A290 WeakPolarHBondContact O-CB 3.48Å; R286-A290 PolarHBondContact O-N 3.11Å; L287-A290 CarbonylContact O-C 3.36Å; L287-A290 WeakPolarHBondContact O-CB 3.5Å; L287-A290 PolarHBondContact O-N 3.14Å; L287-A290 VanDerWaalsContact O-N 3.11Å; E288-A290 PolarHBondContact O-N 2.81Å; A290-L292 HydrophobicContact CB-CD1 4.48Å; A290-L292 HydrophobicContact CB-CG 4.38Å
291G94.9Very high95Very high48 Ų4858.1 Ų58.150%0.49535%0.351SS..THydrogen-bonded Turntrans75.627.7-176.200000113.4L287 E288 A289L287-G291 PolarHBondContact O-N 3.09Å; E288-G291 WeakPolarHBondContact O-CA 3.32Å; E288-G291 PolarHBondContact O-N 3.02Å; A289-G291 PolarHBondContact O-N 2.91Å
292L97.1Very high94.6Very high4 Ų459.3 Ų59.32%0.02136%0.355CS..  trans-104.4129.6176-59.6176.9000110.3L256 L257 L260 L287 A290 V318 F319 R320L256-L292 HydrophobicContact CB-CD1 4.07Å; L257-L292 HydrophobicContact CB-CD1 4.16Å; L257-L292 HydrophobicContact CB-CD2 4.46Å; L257-L292 HydrophobicContact CD1-CD2 3.9Å; L257-L292 HydrophobicContact CD1-CG 4.48Å; L260-L292 HydrophobicContact CD1-CD2 3.57Å; L287-L292 CarbonylContact C-O 3.56Å; L287-L292 HydrophobicContact CB-CB 4.19Å; L287-L292 HydrophobicContact CD2-CD1 3.92Å; L287-L292 WeakPolarHBondContact O-CA 3.35Å; L287-L292 WeakPolarHBondContact O-CB 3.44Å; L287-L292 PolarHBondContact O-N 2.7Å; A290-L292 HydrophobicContact CB-CD1 4.48Å; A290-L292 HydrophobicContact CB-CG 4.38Å; L292-V318 HydrophobicContact CB-CG1 4.06Å; L292-V318 HydrophobicContact CD1-CG1 4.1Å; L292-F319 CarbonylContact C-O 3.58Å; L292-F319 WeakPolarHBondContact CA-O 3.49Å; L292-R320 HydrophobicContact CD2-CB 4.43Å
293G97.1Very high94.2Very high22 Ų2262.1 Ų62.123%0.22738%0.376CS..EExtended strand (participates in β ladder)trans-83.7157.216800000111.4V318 F319G293-V318 WeakPolarHBondContact O-CA 3.42Å; G293-F319 PolarHBondContact N-O 3.42Å; G293-F319 PolarHBondContact O-N 2.97Å
294H97.3Very high94Very high46 Ų4664 Ų6421%0.21339%0.387CS..EExtended strand (participates in β ladder)trans-140148.217365.2-69.4000111.2K284 L287 E288 I316 K317K284-H294 WeakPolarHBondContact CD-NE2 3.49Å; L287-H294 HydrophobicContact CD1-CB 4.28Å; E288-H294 IonicContact OE1-CE1 2.73Å; E288-H294 PolarHBondContact OE1-CE1 2.99Å; H294-I316 HydrophobicContact CB-CD1 4.18Å; H294-K317 CarbonylContact C-O 3.58Å; H294-K317 VanDerWaalsContact CA-O 3.25Å; H294-K317 WeakPolarHBondContact CA-O 3.49Å
295Q97.4Very high93.9Very high114 Ų11462.3 Ų62.353%0.53338%0.38SS..EExtended strand (participates in β ladder)trans-131.6128.9177.4177-179.322.200109.4L297 I316 K317 F319Q295-L297 PolarHBondContact O-N 3.48Å; Q295-I316 CarbonylContact O-C 3.42Å; Q295-I316 VanDerWaalsContact O-CA 3.27Å; Q295-I316 WeakPolarHBondContact O-CA 3.27Å; Q295-K317 PolarHBondContact N-O 2.95Å; Q295-K317 PolarHBondContact O-N 3.37Å; Q295-F319 HydrophobicContact CB-CE1 3.95Å
296V97.6Very high93.6Very high80 Ų8058.2 Ų58.249%0.48536%0.36SS..EExtended strand (participates in β ladder)trans-69.9128.7171.5-175.60000109.5E314 I316V296-E314 HydrophobicContact CG1-CG 3.81Å; V296-E314 HydrophobicContact CG2-CG 4.18Å; V296-E314 WeakPolarHBondContact CG2-OE1 3.43Å; V296-I316 HydrophobicContact CG2-CG2 4.2Å
297L96.7Very high93.3Very high38 Ų3852.3 Ų52.320%0.19934%0.338CS..PPolyproline II helixtrans-95.7156.6175.9-60.6-173.3000110.9W148 L269 Q295 L315 K317W148-L297 HydrophobicContact CH2-CD1 4.46Å; W148-L297 HydrophobicContact CZ2-CD1 3.95Å; L269-L297 HydrophobicContact CD2-CD1 3.66Å; Q295-L297 PolarHBondContact O-N 3.48Å; L297-L315 HydrophobicContact CB-CD2 4.2Å; L297-L315 HydrophobicContact CB-CG 4.17Å; L297-L315 HydrophobicContact CD1-CD2 4.16Å; L297-L315 HydrophobicContact CD1-CG 4.2Å; L297-L315 PolarHBondContact N-O 3.22Å; L297-K317 HydrophobicContact CD1-CB 4.12Å; L297-K317 HydrophobicContact CD2-CB 4.08Å; L297-K317 HydrophobicContact CG-CB 4.14Å
298T93.7Very high93Very high121 Ų12156.3 Ų56.374%0.74236%0.359SS*.PPolyproline II helixtrans-67.8133.8169.9-48.40000109.8W148W148-T298 PolarHBondContact NE1-O 3.47Å; W148-T298 VanDerWaalsContact NE1-O 3.07Å
299G89.6Confident92.5Very high19 Ų1956.2 Ų56.220%0.19635%0.354CS..PPolyproline II helixtrans-68.7170.917600000114.5Y144Y144-G299 WeakPolarHBondContact OH-CA 3.29Å
300P88.3Confident92.2Very high18 Ų1859.6 Ų59.612%0.11736%0.36CS..PPolyproline II helixtrans-65.1147.9171.929.5-31.3000111Y144 E147 W148 E151Y144-P300 HydrophobicContact CD1-CG 4.26Å; Y144-P300 HydrophobicContact CD2-CG 4.18Å; Y144-P300 HydrophobicContact CE1-CG 4.25Å; Y144-P300 HydrophobicContact CE2-CG 4.2Å; Y144-P300 HydrophobicContact CG-CG 4.24Å; E147-P300 HydrophobicContact CB-CB 4.14Å; E147-P300 HydrophobicContact CB-CG 4.18Å; E147-P300 HydrophobicContact CG-CB 3.83Å; E147-P300 HydrophobicContact CG-CG 4.25Å; E147-P300 WeakPolarHBondContact OE1-CG 3.24Å; W148-P300 HydrophobicContact CB-CB 4.32Å; W148-P300 HydrophobicContact CB-CG 4.37Å; E151-P300 VanDerWaalsContact OE2-CA 3.25Å; E151-P300 WeakPolarHBondContact OE2-CA 3.31Å
301V87.3Confident92Very high130 Ų13059.1 Ų59.179%0.78836%0.356SS*.  trans-103-27.3178.6-177.30000111.4E151E151-V301 PolarHBondContact OE1-N 3.12Å; E151-V301 PolarHBondContact OE2-N 3.21Å
302S85.4Confident92Very high53 Ų5360.5 Ų60.537%0.37136%0.356SS..  trans-66159177.4-56.40000110.5E151 R309E151-S302 WeakPolarHBondContact OE1-CA 3.49Å; E151-S302 WeakPolarHBondContact OE1-CB 3.34Å; E151-S302 PolarHBondContact OE1-N 3.5Å; E151-S302 PolarHBondContact OE1-OG 3.12Å; S302-R309 PolarHBondContact O-NH1 3.37Å
303A87.9Confident91.9Very high90 Ų9061.4 Ų61.474%0.74436%0.36SS*.  trans-122.764.7174.100000109.1
304V91.9Very high91.9Very high39 Ų3962 Ų6224%0.23636%0.357CS..  trans-78-48.8-177.6-177.60000110.1P115 E147 L150P115-V304 HydrophobicContact CG-CG1 4.07Å; P115-V304 HydrophobicContact CG-CG2 4.15Å; E147-V304 HydrophobicContact CG-CB 4.14Å; E147-V304 HydrophobicContact CG-CG2 4.1Å; E147-V304 WeakPolarHBondContact OE2-CA 3.46Å; E147-V304 PolarHBondContact OE2-N 2.98Å; L150-V304 HydrophobicContact CD1-CB 4.41Å; L150-V304 HydrophobicContact CD1-CG1 3.96Å; L150-V304 HydrophobicContact CD1-CG2 4.28Å
305F94.2Very high92Very high4 Ų459.9 Ų59.92%0.01835%0.347CS..SBendtrans-104.9142.7-175.4-59-52.7000112.6Y112 F113 L114 L143 A146 E147 L150 T174 Y307 R309Y112-F305 HydrophobicContact CD1-CD1 4.3Å; F113-F305 WeakPolarHBondContact O-CE1 3.48Å; L114-F305 HydrophobicContact CD2-CE1 4.44Å; L114-F305 HydrophobicContact CD2-CZ 4.04Å; L143-F305 HydrophobicContact CB-CB 4.31Å; L143-F305 HydrophobicContact CD2-CB 3.73Å; L143-F305 HydrophobicContact CD2-CD2 4.39Å; L143-F305 HydrophobicContact CD2-CG 4.02Å; A146-F305 HydrophobicContact CB-CD2 4.22Å; A146-F305 HydrophobicContact CB-CE2 3.62Å; E147-F305 HydrophobicContact CB-CD2 4.12Å; E147-F305 PolarHBondContact OE2-N 3.49Å; L150-F305 HydrophobicContact CD1-CE2 4.06Å; L150-F305 HydrophobicContact CD1-CZ 4.07Å; T174-F305 HydrophobicContact CG2-CE2 4.47Å; T174-F305 HydrophobicContact CG2-CZ 4.27Å; F305-Y307 HydrophobicContact CB-CD1 4.24Å; F305-Y307 HydrophobicContact CB-CE1 4.46Å; F305-Y307 VanDerWaalsContact O-CD1 3.31Å; F305-Y307 WeakPolarHBondContact O-CD1 3.34Å; F305-Y307 PolarHBondContact O-N 3.14Å; F305-R309 PolarHBondContact O-NH2 2.84Å
306P90.5Very high92Very high26 Ų2654.4 Ų54.417%0.16932%0.322CS..  trans-81.9109.8178.833.7-35.3000110.8S22S22-P306 WeakPolarHBondContact OG-CG 3.35Å
307Y90.6Very high92.1Very high26 Ų2653.6 Ų53.610%0.10231%0.312CS..SBendtrans-150.7168171.260.9-89.1000110.6L143 Y144 E147 F305 R309 I313L143-Y307 HydrophobicContact CB-CD1 3.62Å; L143-Y307 HydrophobicContact CB-CE1 4.07Å; L143-Y307 HydrophobicContact CB-CG 4.17Å; L143-Y307 HydrophobicContact CD1-CD1 4.48Å; Y144-Y307 HydrophobicContact CD2-CE2 4.04Å; Y144-Y307 VanDerWaalsContact CD2-OH 3.29Å; Y144-Y307 WeakPolarHBondContact CD2-OH 3.29Å; E147-Y307 PolarHBondContact OE1-OH 3.23Å; F305-Y307 HydrophobicContact CB-CD1 4.24Å; F305-Y307 HydrophobicContact CB-CE1 4.46Å; F305-Y307 VanDerWaalsContact O-CD1 3.31Å; F305-Y307 WeakPolarHBondContact O-CD1 3.34Å; F305-Y307 PolarHBondContact O-N 3.14Å; Y307-R309 VanDerWaalsContact CZ-NH1 3.27Å; Y307-R309 PolarHBondContact O-N 3.45Å; Y307-R309 VanDerWaalsContact O-N 3.14Å; Y307-R309 PolarHBondContact OH-NH1 3Å; Y307-I313 HydrophobicContact CD2-CD1 4.24Å; Y307-I313 HydrophobicContact CE2-CD1 4.03Å
308D88.9Confident92.1Very high84 Ų8451.9 Ų51.945%0.44930%0.303SS..  trans-69.4109.7179.2-172.5-0.3000110.8E140 L310 A311E140-D308 WeakPolarHBondContact OE1-CB 3.3Å; D308-L310 PolarHBondContact O-N 3.27Å; D308-L310 WeakPolarHBondContact OD1-CB 3.5Å; D308-L310 PolarHBondContact OD1-N 2.95Å; D308-A311 HydrophobicContact CB-CB 4.29Å; D308-A311 VanDerWaalsContact O-CB 3.27Å; D308-A311 WeakPolarHBondContact O-CB 3.28Å; D308-A311 PolarHBondContact O-N 3.26Å
309R86.9Confident92.1Very high105 Ų10550.1 Ų50.140%0.39629%0.285SS..THydrogen-bonded Turntrans-74.7-10.9179.4-57.7-60.8177.3149.2-10.5113.1E147 S302 F305 Y307E147-R309 IonicContact OE1-CZ 2.8Å; E147-R309 IonicContact OE1-NH1 3.84Å; E147-R309 PolarHBondContact OE1-NH1 3.12Å; E147-R309 IonicContact OE1-NH2 3.42Å; E147-R309 PolarHBondContact OE1-NH2 3.06Å; E147-R309 IonicContact OE2-CZ 3.77Å; E147-R309 IonicContact OE2-NH1 2.63Å; E147-R309 IonicContact OE2-NH2 3.16Å; E147-R309 PolarHBondContact OE2-NH2 2.86Å; S302-R309 PolarHBondContact O-NH1 3.37Å; F305-R309 PolarHBondContact O-NH2 2.84Å; Y307-R309 VanDerWaalsContact CZ-NH1 3.27Å; Y307-R309 PolarHBondContact O-N 3.45Å; Y307-R309 VanDerWaalsContact O-N 3.14Å; Y307-R309 PolarHBondContact OH-NH1 3Å
310L89.1Confident92.1Very high158 Ų15859.1 Ų59.183%0.82731%0.313SS*.THydrogen-bonded Turntrans-87.8-11172.9-57.6178.5000112.2D308D308-L310 PolarHBondContact O-N 3.27Å; D308-L310 WeakPolarHBondContact OD1-CB 3.5Å; D308-L310 PolarHBondContact OD1-N 2.95Å
311A89.6Confident92.3Very high17 Ų1761.2 Ų61.214%0.1432%0.323CS..SBendtrans-60.8131175.500000109.7T273 D308 I313T273-A311 HydrophobicContact CG2-CB 4.42Å; D308-A311 HydrophobicContact CB-CB 4.29Å; D308-A311 VanDerWaalsContact O-CB 3.27Å; D308-A311 WeakPolarHBondContact O-CB 3.28Å; D308-A311 PolarHBondContact O-N 3.26Å; A311-I313 HydrophobicContact CB-CD1 4.24Å; A311-I313 HydrophobicContact CB-CG1 4.14Å; A311-I313 PolarHBondContact O-N 3.48Å
312P94.3Very high92.5Very high77 Ų7757.6 Ų57.650%0.530%0.299SS..  trans-72.791.617930.4-35.4000109.3I274I274-P312 HydrophobicContact CB-CB 4.24Å; I274-P312 HydrophobicContact CB-CG 4.22Å; I274-P312 WeakPolarHBondContact CB-O 3.43Å; I274-P312 WeakPolarHBondContact CG1-O 3.36Å; I274-P312 PolarHBondContact N-O 3.44Å; I274-P312 VanDerWaalsContact O-CG 3.26Å; I274-P312 WeakPolarHBondContact O-CG 3.44Å
313I96.6Very high92.9Very high22 Ų2257.8 Ų57.811%0.11330%0.295CS..EExtended strand (participates in β ladder)trans-107.3129.4179.5-58.5173000109.2E140 Y144 C271 S272 T273 Y307 A311E140-I313 HydrophobicContact CB-CD1 4.06Å; Y144-I313 HydrophobicContact CD1-CG2 3.88Å; Y144-I313 HydrophobicContact CD2-CB 3.88Å; Y144-I313 HydrophobicContact CD2-CD1 3.89Å; Y144-I313 HydrophobicContact CD2-CG1 4.49Å; Y144-I313 HydrophobicContact CD2-CG2 3.63Å; Y144-I313 HydrophobicContact CE1-CG2 4.16Å; Y144-I313 HydrophobicContact CE2-CB 3.99Å; Y144-I313 HydrophobicContact CE2-CG2 3.91Å; Y144-I313 HydrophobicContact CG-CB 4.35Å; Y144-I313 HydrophobicContact CG-CD1 4.29Å; Y144-I313 HydrophobicContact CG-CG2 3.59Å; C271-I313 VanDerWaalsContact SG-CG2 3.52Å; S272-I313 WeakPolarHBondContact O-CA 3.48Å; T273-I313 HydrophobicContact CG2-CG1 4.31Å; Y307-I313 HydrophobicContact CD2-CD1 4.24Å; Y307-I313 HydrophobicContact CE2-CD1 4.03Å; A311-I313 HydrophobicContact CB-CD1 4.24Å; A311-I313 HydrophobicContact CB-CG1 4.14Å; A311-I313 PolarHBondContact O-N 3.48Å
314E97.3Very high93.2Very high35 Ų3555.9 Ų55.916%0.16427%0.268CS..EExtended strand (participates in β ladder)trans-121.8129.7177.1-167.5-178.1109.200110.5C271 S272 I274 Y280 K284 V296 I316C271-E314 WeakPolarHBondContact CA-O 3.34Å; S272-E314 PolarHBondContact N-O 3.37Å; S272-E314 PolarHBondContact O-N 3.31Å; I274-E314 HydrophobicContact CD1-CB 3.87Å; I274-E314 HydrophobicContact CG1-CB 4.48Å; Y280-E314 HydrophobicContact CE1-CB 4.33Å; Y280-E314 PolarHBondContact OH-OE1 3.21Å; K284-E314 WeakPolarHBondContact CE-OE1 3.41Å; K284-E314 IonicContact NZ-OE1 3.98Å; K284-E314 PolarHBondContact NZ-OE1 3.24Å; K284-E314 IonicContact NZ-OE2 3.37Å; K284-E314 PolarHBondContact NZ-OE2 3Å; V296-E314 HydrophobicContact CG1-CG 3.81Å; V296-E314 HydrophobicContact CG2-CG 4.18Å; V296-E314 WeakPolarHBondContact CG2-OE1 3.43Å; E314-I316 HydrophobicContact CG-CG2 4.04Å; E314-I316 WeakPolarHBondContact OE1-CG2 3.38Å
315L98.1Very high93.3Very high1 Ų157 Ų571%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-104.8122.6171176.162.5000108.7Y144 L145 W148 L269 I270 C271 L297Y144-L315 HydrophobicContact CE1-CB 4.02Å; L145-L315 HydrophobicContact CD1-CD1 3.85Å; L145-L315 HydrophobicContact CD1-CD2 4.46Å; W148-L315 HydrophobicContact CB-CD2 4.37Å; W148-L315 HydrophobicContact CD2-CD2 3.56Å; W148-L315 HydrophobicContact CE3-CD2 4.26Å; W148-L315 HydrophobicContact CG-CD2 3.58Å; W148-L315 HydrophobicContact CZ2-CD2 4.21Å; L269-L315 HydrophobicContact CB-CD1 4.21Å; I270-L315 WeakPolarHBondContact O-CA 3.5Å; C271-L315 HydrophobicContact CB-CD1 3.94Å; L297-L315 HydrophobicContact CB-CD2 4.2Å; L297-L315 HydrophobicContact CB-CG 4.17Å; L297-L315 HydrophobicContact CD1-CD2 4.16Å; L297-L315 HydrophobicContact CD1-CG 4.2Å; L297-L315 PolarHBondContact N-O 3.22Å
316I98.2Very high93.3Very high0 Ų060.5 Ų60.50%029%0.287CS..EExtended strand (participates in β ladder)trans-117.1145.4176.765172.3000111.5L269 I270 F283 L287 H294 Q295 V296 E314 V318L269-I316 WeakPolarHBondContact CA-O 3.31Å; I270-I316 HydrophobicContact CB-CD1 4.36Å; I270-I316 HydrophobicContact CB-CG1 3.87Å; I270-I316 PolarHBondContact N-O 3.06Å; I270-I316 PolarHBondContact O-N 3.36Å; F283-I316 HydrophobicContact CE1-CD1 3.98Å; L287-I316 HydrophobicContact CD1-CD1 4.08Å; H294-I316 HydrophobicContact CB-CD1 4.18Å; Q295-I316 CarbonylContact O-C 3.42Å; Q295-I316 VanDerWaalsContact O-CA 3.27Å; Q295-I316 WeakPolarHBondContact O-CA 3.27Å; V296-I316 HydrophobicContact CG2-CG2 4.2Å; E314-I316 HydrophobicContact CG-CG2 4.04Å; E314-I316 WeakPolarHBondContact OE1-CG2 3.38Å; I316-V318 HydrophobicContact CD1-CG2 4.06Å; I316-V318 HydrophobicContact CG1-CG2 4.31Å
317K98.1Very high93.5Very high62 Ų6263 Ų6327%0.2730%0.295SS..EExtended strand (participates in β ladder)trans-95.3128.4162.7-179.1169.6179.2162.70109.4E267 I268 L269 H294 Q295 L297E267-K317 WeakPolarHBondContact OE1-CE 3.38Å; E267-K317 IonicContact OE1-NZ 2.76Å; E267-K317 PolarHBondContact OE1-NZ 3.15Å; I268-K317 CarbonylContact O-C 3.5Å; I268-K317 VanDerWaalsContact O-CA 3.3Å; I268-K317 WeakPolarHBondContact O-CA 3.4Å; L269-K317 HydrophobicContact CD2-CB 4.11Å; L269-K317 HydrophobicContact CD2-CG 4.34Å; H294-K317 CarbonylContact C-O 3.58Å; H294-K317 VanDerWaalsContact CA-O 3.25Å; H294-K317 WeakPolarHBondContact CA-O 3.49Å; Q295-K317 PolarHBondContact N-O 2.95Å; Q295-K317 PolarHBondContact O-N 3.37Å; L297-K317 HydrophobicContact CD1-CB 4.12Å; L297-K317 HydrophobicContact CD2-CB 4.08Å; L297-K317 HydrophobicContact CG-CB 4.14Å
318V97.8Very high93.7Very high2 Ų265.8 Ų65.81%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-102.3136.5176.7-1770000109.6L256 I268 I270 L287 L292 G293 I316L256-V318 HydrophobicContact CD1-CG1 4.33Å; L256-V318 HydrophobicContact CD1-CG2 4.23Å; I268-V318 HydrophobicContact CB-CB 4.16Å; I268-V318 HydrophobicContact CG2-CB 4.1Å; I268-V318 HydrophobicContact CG2-CG2 4.45Å; I268-V318 PolarHBondContact O-N 2.94Å; I270-V318 HydrophobicContact CG1-CG2 4.13Å; L287-V318 HydrophobicContact CD1-CG2 4.08Å; L287-V318 HydrophobicContact CD2-CG1 4.32Å; L292-V318 HydrophobicContact CB-CG1 4.06Å; L292-V318 HydrophobicContact CD1-CG1 4.1Å; G293-V318 WeakPolarHBondContact O-CA 3.42Å; I316-V318 HydrophobicContact CD1-CG2 4.06Å; I316-V318 HydrophobicContact CG1-CG2 4.31Å
319F94.4Very high94.1Very high85 Ų8564.3 Ų64.337%0.37330%0.299SS..EExtended strand (participates in β ladder)trans-145.4167.9-178.956.8-89.4000111.1L292 G293 Q295L292-F319 CarbonylContact C-O 3.58Å; L292-F319 WeakPolarHBondContact CA-O 3.49Å; G293-F319 PolarHBondContact N-O 3.42Å; G293-F319 PolarHBondContact O-N 2.97Å; Q295-F319 HydrophobicContact CB-CE1 3.95Å
320R88.7Confident94.7Very high208 Ų20860.6 Ų60.679%0.78529%0.29SS*.  trans-103.90175.3-171.5177.9-176.9-169.6-1.7110.7L260 L292L260-R320 HydrophobicContact CD1-CB 4.4Å; L292-R320 HydrophobicContact CD2-CB 4.43Å

Retrieved 320 of 320 residues in 234.7 ms (Link to these results)

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