A0A096NNL8_PAPAN Loading...

Purine nucleoside phosphorylase

Catalyzes the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate. Preferentially acts on 6-oxopurine nucleosides including inosine and guanosine. The purine nucleoside phosphorylases catalyze the phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate.

AlphaFold DB , UniProt , Accession A0A096NNL8, Species PAPAN (Papio anubis, Olive baboon), Gene PNP, Length 289 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
1M45.3Very low85.2Confident167 Ų16758.7 Ų58.782%0.82331%0.313SS*.  01020-61.4-175.2-147.100107.7N3 P150M1-N3 PolarHBondContact O-N 3.05Å; M1-P150 VanDerWaalsContact O-CD 3.25Å; M1-P150 WeakPolarHBondContact O-CD 3.44Å
2E50.9Low86.3Confident8 Ų860.8 Ų60.84%0.03732%0.324CS..  trans-63.1109.5162-64.1-175.4-176.300106.8G4 R101 P150E2-G4 PolarHBondContact O-N 3.5Å; E2-R101 VanDerWaalsContact CD-NH2 3.27Å; E2-R101 IonicContact OE1-NH2 3.53Å; E2-R101 PolarHBondContact OE1-NH2 3.09Å; E2-R101 IonicContact OE2-CZ 3.82Å; E2-R101 IonicContact OE2-NH1 3.72Å; E2-R101 PolarHBondContact OE2-NH1 3.44Å; E2-R101 IonicContact OE2-NH2 3.83Å; E2-R101 PolarHBondContact OE2-NH2 3.48Å; E2-P150 WeakPolarHBondContact CG-O 3.36Å; E2-P150 PolarHBondContact N-O 2.86Å
3N70.4Confident87.3Confident75 Ų7556.1 Ų56.140%0.40130%0.299SS..THydrogen-bonded Turntrans2.3112.8173.8-60.9-47000116.4M1 Y5 W94 R148M1-N3 PolarHBondContact O-N 3.05Å; N3-Y5 PolarHBondContact O-N 2.9Å; N3-W94 VanDerWaalsContact CB-CD1 3.44Å; N3-W94 HydrophobicContact CB-CG 4.17Å; N3-W94 PolarHBondContact O-NE1 3.25Å; N3-R148 PolarHBondContact ND2-O 3.38Å
4G85.6Confident88.1Confident58 Ų5852.2 Ų52.260%0.59828%0.279SS*.THydrogen-bonded Turntrans93.9-56.1166.700000115.8E2E2-G4 PolarHBondContact O-N 3.5Å
5Y95.9Very high88.8Confident28 Ų2855.1 Ų55.111%0.1129%0.29CS..  trans-107.2140.3-178.1-63.8-66000112.3N3 D9 N55 W94 K95 F98N3-Y5 PolarHBondContact O-N 2.9Å; Y5-D9 HydrophobicContact CD1-CB 3.87Å; Y5-D9 HydrophobicContact CG-CB 4.46Å; Y5-N55 HydrophobicContact CE1-CB 3.93Å; Y5-N55 PolarHBondContact OH-O 3.4Å; Y5-W94 AromaticContact CD2-CE3 3.4Å; Y5-W94 HydrophobicContact CD2-CE3 3.4Å; Y5-W94 AromaticContact CD2-CZ3 3.65Å; Y5-W94 HydrophobicContact CD2-CZ3 3.65Å; Y5-W94 AromaticContact CE2-CE3 3.43Å; Y5-W94 HydrophobicContact CE2-CE3 3.43Å; Y5-W94 VanDerWaalsContact CE2-CE3 3.43Å; Y5-W94 AromaticContact CE2-CZ3 3.41Å; Y5-W94 HydrophobicContact CE2-CZ3 3.41Å; Y5-W94 VanDerWaalsContact CE2-CZ3 3.41Å; Y5-W94 HydrophobicContact CG-CE3 4.4Å; Y5-W94 HydrophobicContact CG-CZ3 4.41Å; Y5-K95 HydrophobicContact CE2-CG 3.98Å; Y5-F98 HydrophobicContact CD1-CD2 4.08Å; Y5-F98 AromaticContact CD1-CE2 3.87Å; Y5-F98 HydrophobicContact CD1-CE2 3.87Å; Y5-F98 HydrophobicContact CD2-CB 4.47Å; Y5-F98 AromaticContact CD2-CD2 3.38Å; Y5-F98 HydrophobicContact CD2-CD2 3.38Å; Y5-F98 HydrophobicContact CD2-CE2 4.01Å; Y5-F98 HydrophobicContact CD2-CG 4.29Å; Y5-F98 HydrophobicContact CE1-CD2 4.08Å; Y5-F98 AromaticContact CE1-CE2 3.96Å; Y5-F98 HydrophobicContact CE1-CE2 3.96Å; Y5-F98 HydrophobicContact CE2-CB 4.01Å; Y5-F98 AromaticContact CE2-CD2 3.37Å; Y5-F98 HydrophobicContact CE2-CD2 3.37Å; Y5-F98 HydrophobicContact CE2-CE2 4.11Å; Y5-F98 AromaticContact CE2-CG 3.91Å; Y5-F98 HydrophobicContact CE2-CG 3.91Å; Y5-F98 AromaticContact CG-CD2 3.75Å; Y5-F98 HydrophobicContact CG-CD2 3.75Å; Y5-F98 AromaticContact CG-CE2 3.89Å; Y5-F98 HydrophobicContact CG-CE2 3.89Å; Y5-F98 AromaticContact CZ-CD2 3.74Å
6T97.1Very high89.5Confident44 Ų4455.6 Ų55.627%0.2729%0.287SS..  trans-89.3165.6169.363.80000110.4E8 D9 Y10T6-E8 PolarHBondContact O-N 3.17Å; T6-D9 PolarHBondContact N-OD2 2.88Å; T6-D9 WeakPolarHBondContact O-CB 3.33Å; T6-D9 PolarHBondContact O-N 3.04Å; T6-D9 VanDerWaalsContact O-N 3.16Å; T6-D9 VanDerWaalsContact OG1-CG 3.25Å; T6-D9 PolarHBondContact OG1-N 3.06Å; T6-D9 PolarHBondContact OG1-OD2 3.4Å; T6-Y10 WeakPolarHBondContact O-CD2 3.12Å; T6-Y10 PolarHBondContact O-N 2.99Å
7Y97.9Very high90Very high49 Ų4952.4 Ų52.419%0.19227%0.27CS..Hα-helixtrans-57.1-36.7171.5179.8-92.4000111.4D9 Y10 K11 L105 R154 F155Y7-D9 VanDerWaalsContact C-N 3.3Å; Y7-D9 PolarHBondContact O-N 3.2Å; Y7-Y10 PolarHBondContact O-N 2.79Å; Y7-K11 HydrophobicContact CD1-CB 4.41Å; Y7-K11 HydrophobicContact CE1-CB 4.22Å; Y7-K11 HydrophobicContact CE1-CD 4.05Å; Y7-K11 WeakPolarHBondContact O-CB 3.39Å; Y7-K11 PolarHBondContact O-N 2.8Å; Y7-L105 HydrophobicContact CE2-CD2 4.35Å; Y7-R154 HydrophobicContact CD2-CB 3.95Å; Y7-R154 HydrophobicContact CE2-CB 3.7Å; Y7-R154 HydrophobicContact CE2-CG 4.48Å; Y7-F155 HydrophobicContact CD2-CD2 4.32Å; Y7-F155 HydrophobicContact CD2-CE1 4.3Å; Y7-F155 AromaticContact CD2-CE2 3.65Å; Y7-F155 HydrophobicContact CD2-CE2 3.65Å; Y7-F155 AromaticContact CD2-CZ 3.63Å; Y7-F155 HydrophobicContact CD2-CZ 3.63Å; Y7-F155 HydrophobicContact CE2-CE1 4.17Å; Y7-F155 HydrophobicContact CE2-CE2 4.3Å; Y7-F155 AromaticContact CE2-CZ 3.94Å; Y7-F155 HydrophobicContact CE2-CZ 3.94Å
8E98.3Very high90.5Very high87 Ų8751.9 Ų51.941%0.40727%0.268SS..Hα-helixtrans-63.4-35.6179.5-66.464.4-141.800111.2T6 K11 N12 R154T6-E8 PolarHBondContact O-N 3.17Å; E8-K11 PolarHBondContact O-N 3.4Å; E8-N12 VanDerWaalsContact O-CB 3.23Å; E8-N12 WeakPolarHBondContact O-CB 3.44Å; E8-N12 PolarHBondContact O-N 3.35Å; E8-N12 PolarHBondContact O-ND2 3.01Å; E8-N12 VanDerWaalsContact O-ND2 3.16Å; E8-N12 PolarHBondContact O-OD1 3.04Å; E8-R154 IonicContact OE1-NH1 2.63Å; E8-R154 PolarHBondContact OE1-NH1 2.85Å
9D98.5Very high90.9Very high38 Ų3853.8 Ų53.820%0.20329%0.286CS..Hα-helixtrans-62.9-44.6174.5-62.9-51.4000112.1Y5 T6 Y7 T13 N55Y5-D9 HydrophobicContact CD1-CB 3.87Å; Y5-D9 HydrophobicContact CG-CB 4.46Å; T6-D9 PolarHBondContact N-OD2 2.88Å; T6-D9 WeakPolarHBondContact O-CB 3.33Å; T6-D9 PolarHBondContact O-N 3.04Å; T6-D9 VanDerWaalsContact O-N 3.16Å; T6-D9 VanDerWaalsContact OG1-CG 3.25Å; T6-D9 PolarHBondContact OG1-N 3.06Å; T6-D9 PolarHBondContact OG1-OD2 3.4Å; Y7-D9 VanDerWaalsContact C-N 3.3Å; Y7-D9 PolarHBondContact O-N 3.2Å; D9-T13 PolarHBondContact O-N 2.92Å; D9-T13 VanDerWaalsContact O-N 3.16Å; D9-T13 PolarHBondContact O-OG1 3.38Å; D9-T13 VanDerWaalsContact O-OG1 3.09Å; D9-N55 PolarHBondContact O-ND2 3.32Å
10Y98.6Very high91.3Very high3 Ų355.7 Ų55.71%0.01229%0.293CS..Hα-helixtrans-64.9-44.1175.6-62.2-74.3000111.6T6 Y7 T13 A14 F98 R101 V102 F155T6-Y10 WeakPolarHBondContact O-CD2 3.12Å; T6-Y10 PolarHBondContact O-N 2.99Å; Y7-Y10 PolarHBondContact O-N 2.79Å; Y10-T13 PolarHBondContact O-N 3.28Å; Y10-A14 WeakPolarHBondContact O-CB 3.42Å; Y10-A14 PolarHBondContact O-N 2.91Å; Y10-F98 AromaticContact CD1-CD2 3.55Å; Y10-F98 HydrophobicContact CD1-CD2 3.55Å; Y10-F98 AromaticContact CD1-CE2 3.4Å; Y10-F98 HydrophobicContact CD1-CE2 3.4Å; Y10-F98 VanDerWaalsContact CD1-CE2 3.4Å; Y10-F98 HydrophobicContact CD1-CG 4.37Å; Y10-F98 HydrophobicContact CD1-CZ 4.14Å; Y10-F98 HydrophobicContact CE1-CB 4.38Å; Y10-F98 AromaticContact CE1-CD2 3.14Å; Y10-F98 HydrophobicContact CE1-CD2 3.14Å; Y10-F98 AromaticContact CE1-CE2 3.51Å; Y10-F98 HydrophobicContact CE1-CE2 3.51Å; Y10-F98 AromaticContact CE1-CG 3.96Å; Y10-F98 HydrophobicContact CE1-CG 3.96Å; Y10-F98 HydrophobicContact CG-CE2 4.17Å; Y10-F98 AromaticContact CZ-CD2 3.94Å; Y10-R101 HydrophobicContact CD1-CB 3.43Å; Y10-R101 VanDerWaalsContact CD1-CB 3.43Å; Y10-R101 HydrophobicContact CD1-CG 4.42Å; Y10-R101 HydrophobicContact CE1-CB 3.58Å; Y10-R101 HydrophobicContact CE1-CG 4.2Å; Y10-R101 HydrophobicContact CG-CB 3.99Å; Y10-R101 VanDerWaalsContact CZ-CD 3.44Å; Y10-R101 PolarHBondContact OH-NH1 2.8Å; Y10-V102 HydrophobicContact CD1-CG2 4.28Å; Y10-F155 AromaticContact CD2-CE2 3.79Å; Y10-F155 HydrophobicContact CD2-CE2 3.79Å; Y10-F155 AromaticContact CD2-CZ 3.67Å; Y10-F155 HydrophobicContact CD2-CZ 3.67Å; Y10-F155 HydrophobicContact CE2-CE2 4.11Å; Y10-F155 HydrophobicContact CE2-CZ 4.34Å; Y10-F155 HydrophobicContact CG-CE2 4.47Å; Y10-F155 AromaticContact CG-CZ 3.91Å; Y10-F155 HydrophobicContact CG-CZ 3.91Å
11K98.7Very high91.6Very high89 Ų8953.4 Ų53.439%0.38728%0.281SS..Hα-helixtrans-62.8-47.2179.7-177.8179.2170.4-176.30111.3Y7 E8 T13 A14 E15 L105Y7-K11 HydrophobicContact CD1-CB 4.41Å; Y7-K11 HydrophobicContact CE1-CB 4.22Å; Y7-K11 HydrophobicContact CE1-CD 4.05Å; Y7-K11 WeakPolarHBondContact O-CB 3.39Å; Y7-K11 PolarHBondContact O-N 2.8Å; E8-K11 PolarHBondContact O-N 3.4Å; K11-T13 VanDerWaalsContact C-N 3.33Å; K11-T13 PolarHBondContact O-N 3.46Å; K11-A14 PolarHBondContact O-N 3.05Å; K11-E15 WeakPolarHBondContact CE-OE1 3.29Å; K11-E15 HydrophobicContact CG-CG 4.32Å; K11-E15 IonicContact NZ-OE1 3.71Å; K11-E15 WeakPolarHBondContact O-CB 3.37Å; K11-E15 WeakPolarHBondContact O-CG 3.48Å; K11-E15 PolarHBondContact O-N 3.47Å; K11-L105 HydrophobicContact CB-CD1 4.33Å
12N98.8Very high94.1Very high83 Ų8354.9 Ų54.944%0.44428%0.283SS..Hα-helixtrans-60.5-43.3179-69.7-17.9000111.3E8 W16E8-N12 VanDerWaalsContact O-CB 3.23Å; E8-N12 WeakPolarHBondContact O-CB 3.44Å; E8-N12 PolarHBondContact O-N 3.35Å; E8-N12 PolarHBondContact O-ND2 3.01Å; E8-N12 VanDerWaalsContact O-ND2 3.16Å; E8-N12 PolarHBondContact O-OD1 3.04Å; N12-W16 VanDerWaalsContact O-CB 3.3Å; N12-W16 WeakPolarHBondContact O-CB 3.37Å; N12-W16 PolarHBondContact O-N 3.33Å
13T98.8Very high96.4Very high0 Ų055.5 Ų55.50%029%0.286CS..Hα-helixtrans-64.4-43175.8-61.10000112D9 Y10 K11 W16 L17 I53 P54 N55 F56 F98 V102D9-T13 PolarHBondContact O-N 2.92Å; D9-T13 VanDerWaalsContact O-N 3.16Å; D9-T13 PolarHBondContact O-OG1 3.38Å; D9-T13 VanDerWaalsContact O-OG1 3.09Å; Y10-T13 PolarHBondContact O-N 3.28Å; K11-T13 VanDerWaalsContact C-N 3.33Å; K11-T13 PolarHBondContact O-N 3.46Å; T13-W16 PolarHBondContact O-N 3.34Å; T13-L17 HydrophobicContact CG2-CD1 4.3Å; T13-L17 WeakPolarHBondContact O-CG 3.37Å; T13-L17 PolarHBondContact O-N 3.43Å; T13-I53 HydrophobicContact CG2-CG2 3.59Å; T13-P54 VanDerWaalsContact CG2-O 3.31Å; T13-P54 WeakPolarHBondContact CG2-O 3.49Å; T13-P54 PolarHBondContact OG1-O 2.99Å; T13-N55 PolarHBondContact OG1-ND2 3.34Å; T13-F56 HydrophobicContact CG2-CD2 4.06Å; T13-F56 HydrophobicContact CG2-CE2 4.42Å; T13-F98 HydrophobicContact CG2-CE1 4.06Å; T13-F98 HydrophobicContact CG2-CZ 4.25Å; T13-V102 HydrophobicContact CG2-CG1 4.05Å; T13-V102 HydrophobicContact CG2-CG2 3.9Å
14A98.8Very high97.7Very high2 Ų258.1 Ų58.12%0.01729%0.29CS..Hα-helixtrans-64.5-44.8177.500000112.1Y10 K11 W16 L17 L18 V102 L105 L106Y10-A14 WeakPolarHBondContact O-CB 3.42Å; Y10-A14 PolarHBondContact O-N 2.91Å; K11-A14 PolarHBondContact O-N 3.05Å; A14-W16 VanDerWaalsContact C-N 3.35Å; A14-W16 PolarHBondContact O-N 3.04Å; A14-L17 PolarHBondContact O-N 3.43Å; A14-L18 WeakPolarHBondContact O-CB 3.42Å; A14-L18 VanDerWaalsContact O-CG 3.26Å; A14-L18 WeakPolarHBondContact O-CG 3.31Å; A14-L18 PolarHBondContact O-N 3.3Å; A14-V102 HydrophobicContact CB-CG1 4.27Å; A14-L105 HydrophobicContact CB-CB 3.6Å; A14-L105 HydrophobicContact CB-CD1 4.42Å; A14-L106 HydrophobicContact CB-CD2 4.1Å
15E98.8Very high98.3Very high96 Ų9655.5 Ų55.545%0.44926%0.263SS..Hα-helixtrans-64.8-37.6176.8-73.2178.7164.900112.4K11 L18 S19K11-E15 WeakPolarHBondContact CE-OE1 3.29Å; K11-E15 HydrophobicContact CG-CG 4.32Å; K11-E15 IonicContact NZ-OE1 3.71Å; K11-E15 WeakPolarHBondContact O-CB 3.37Å; K11-E15 WeakPolarHBondContact O-CG 3.48Å; K11-E15 PolarHBondContact O-N 3.47Å; E15-L18 PolarHBondContact O-N 3.09Å; E15-S19 WeakPolarHBondContact O-CB 3.5Å; E15-S19 PolarHBondContact O-N 3.05Å; E15-S19 PolarHBondContact O-OG 2.82Å
16W98.8Very high98.3Very high63 Ų6355.3 Ų55.324%0.23926%0.263CS..Hα-helixtrans-60-50.4171.3-173.592.9000110.4N12 T13 A14 L18 S19 H20 F48 I53 P54N12-W16 VanDerWaalsContact O-CB 3.3Å; N12-W16 WeakPolarHBondContact O-CB 3.37Å; N12-W16 PolarHBondContact O-N 3.33Å; T13-W16 PolarHBondContact O-N 3.34Å; A14-W16 VanDerWaalsContact C-N 3.35Å; A14-W16 PolarHBondContact O-N 3.04Å; W16-L18 PolarHBondContact O-N 3.01Å; W16-S19 PolarHBondContact O-N 3.21Å; W16-S19 PolarHBondContact O-OG 2.88Å; W16-H20 AromaticContact CD1-CE1 3.47Å; W16-H20 VanDerWaalsContact CD1-CE1 3.47Å; W16-H20 AromaticContact CD1-ND1 3.93Å; W16-H20 AromaticContact CD2-CE1 3.97Å; W16-H20 AromaticContact CD2-ND1 3.8Å; W16-H20 AromaticContact CE2-CD2 3.91Å; W16-H20 AromaticContact CE2-CE1 3.54Å; W16-H20 AromaticContact CE2-CG 3.97Å; W16-H20 AromaticContact CE2-ND1 3.74Å; W16-H20 AromaticContact CE2-NE2 3.65Å; W16-H20 AromaticContact CG-CE1 3.93Å; W16-H20 AromaticContact CG-ND1 3.93Å; W16-H20 AromaticContact CZ2-CD2 3.76Å; W16-H20 AromaticContact CZ2-NE2 3.86Å; W16-H20 AromaticContact NE1-CE1 3.21Å; W16-H20 PolarHBondContact NE1-CE1 3.43Å; W16-H20 AromaticContact NE1-ND1 3.82Å; W16-H20 AromaticContact NE1-NE2 3.47Å; W16-H20 PolarHBondContact NE1-NE2 3.12Å; W16-H20 PolarHBondContact O-N 2.79Å; W16-H20 PolarHBondContact O-ND1 2.92Å; W16-F48 AromaticContact CH2-CD1 3.86Å; W16-F48 HydrophobicContact CH2-CD1 3.86Å; W16-F48 HydrophobicContact CH2-CE1 4.09Å; W16-F48 AromaticContact CZ3-CD1 3.83Å; W16-F48 HydrophobicContact CZ3-CD1 3.83Å; W16-F48 HydrophobicContact CZ3-CE1 4.04Å; W16-I53 HydrophobicContact CE3-CG2 4.42Å; W16-I53 HydrophobicContact CZ3-CB 4.39Å; W16-I53 HydrophobicContact CZ3-CG1 3.99Å; W16-I53 HydrophobicContact CZ3-CG2 4.46Å; W16-P54 HydrophobicContact CB-CG 4.09Å; W16-P54 VanDerWaalsContact CD2-CD 3.46Å; W16-P54 HydrophobicContact CD2-CG 3.94Å; W16-P54 HydrophobicContact CG-CG 3.67Å
17L98.8Very high98.3Very high0 Ų053.2 Ų53.20%025%0.25CC..Hα-helixtrans-60.2-46.2177.3-73.4167.1000111.8T13 A14 S19 H20 T21 F48 I53 L68 F70 V102 L106T13-L17 HydrophobicContact CG2-CD1 4.3Å; T13-L17 WeakPolarHBondContact O-CG 3.37Å; T13-L17 PolarHBondContact O-N 3.43Å; A14-L17 PolarHBondContact O-N 3.43Å; L17-S19 VanDerWaalsContact C-N 3.25Å; L17-S19 PolarHBondContact O-N 3.49Å; L17-H20 CarbonylContact O-C 3.54Å; L17-H20 PolarHBondContact O-N 2.78Å; L17-H20 VanDerWaalsContact O-N 3.07Å; L17-T21 WeakPolarHBondContact O-CG2 3.48Å; L17-T21 PolarHBondContact O-N 2.71Å; L17-F48 HydrophobicContact CD2-CD2 4.47Å; L17-F48 HydrophobicContact CD2-CG 4.44Å; L17-I53 HydrophobicContact CD1-CG2 4.38Å; L17-I53 HydrophobicContact CD2-CD1 4.25Å; L17-I53 HydrophobicContact CD2-CG1 4.24Å; L17-I53 HydrophobicContact CD2-CG2 4.32Å; L17-I53 HydrophobicContact CG-CG2 4.34Å; L17-L68 HydrophobicContact CD1-CD2 3.98Å; L17-L68 HydrophobicContact CD2-CD2 4.15Å; L17-F70 HydrophobicContact CB-CZ 4.43Å; L17-F70 HydrophobicContact CD1-CZ 4.43Å; L17-F70 HydrophobicContact CD2-CE2 3.99Å; L17-F70 HydrophobicContact CD2-CZ 4.09Å; L17-V102 HydrophobicContact CD1-CG1 3.66Å; L17-L106 HydrophobicContact CB-CD2 3.95Å; L17-L106 HydrophobicContact CD1-CD1 4.13Å; L17-L106 HydrophobicContact CD1-CD2 4.48Å
18L98.6Very high98.4Very high45 Ų4550.9 Ų50.924%0.23624%0.241CC..Hα-helixtrans-63.7-27.2179.9-70.5169.4000113.9A14 E15 W16 T21 R24 L106A14-L18 WeakPolarHBondContact O-CB 3.42Å; A14-L18 VanDerWaalsContact O-CG 3.26Å; A14-L18 WeakPolarHBondContact O-CG 3.31Å; A14-L18 PolarHBondContact O-N 3.3Å; E15-L18 PolarHBondContact O-N 3.09Å; W16-L18 PolarHBondContact O-N 3.01Å; L18-T21 VanDerWaalsContact O-O 3.07Å; L18-R24 PolarHBondContact O-NH2 3.39Å; L18-L106 HydrophobicContact CD1-CD2 4.25Å; L18-L106 HydrophobicContact CD2-CD2 3.84Å; L18-L106 HydrophobicContact CG-CD2 3.61Å
19S98.6Very high98.3Very high88 Ų8846.8 Ų46.862%0.61522%0.222SC*.Hα-helixtrans-84-22.4174.7560000113E15 W16 L17E15-S19 WeakPolarHBondContact O-CB 3.5Å; E15-S19 PolarHBondContact O-N 3.05Å; E15-S19 PolarHBondContact O-OG 2.82Å; W16-S19 PolarHBondContact O-N 3.21Å; W16-S19 PolarHBondContact O-OG 2.88Å; L17-S19 VanDerWaalsContact C-N 3.25Å; L17-S19 PolarHBondContact O-N 3.49Å
20H98.6Very high98.2Very high91 Ų9145 Ų4542%0.42121%0.212SC..Hα-helixtrans-99.3-7.9-179.2-66.767.5000113.5W16 L17 Q46 F48W16-H20 AromaticContact CD1-CE1 3.47Å; W16-H20 VanDerWaalsContact CD1-CE1 3.47Å; W16-H20 AromaticContact CD1-ND1 3.93Å; W16-H20 AromaticContact CD2-CE1 3.97Å; W16-H20 AromaticContact CD2-ND1 3.8Å; W16-H20 AromaticContact CE2-CD2 3.91Å; W16-H20 AromaticContact CE2-CE1 3.54Å; W16-H20 AromaticContact CE2-CG 3.97Å; W16-H20 AromaticContact CE2-ND1 3.74Å; W16-H20 AromaticContact CE2-NE2 3.65Å; W16-H20 AromaticContact CG-CE1 3.93Å; W16-H20 AromaticContact CG-ND1 3.93Å; W16-H20 AromaticContact CZ2-CD2 3.76Å; W16-H20 AromaticContact CZ2-NE2 3.86Å; W16-H20 AromaticContact NE1-CE1 3.21Å; W16-H20 PolarHBondContact NE1-CE1 3.43Å; W16-H20 AromaticContact NE1-ND1 3.82Å; W16-H20 AromaticContact NE1-NE2 3.47Å; W16-H20 PolarHBondContact NE1-NE2 3.12Å; W16-H20 PolarHBondContact O-N 2.79Å; W16-H20 PolarHBondContact O-ND1 2.92Å; L17-H20 CarbonylContact O-C 3.54Å; L17-H20 PolarHBondContact O-N 2.78Å; L17-H20 VanDerWaalsContact O-N 3.07Å; H20-Q46 PolarHBondContact O-NE2 3.4Å; H20-F48 HydrophobicContact CB-CE1 3.8Å; H20-F48 HydrophobicContact CB-CZ 4.04Å
21T98.5Very high97.9Very high7 Ų745 Ų454%0.04321%0.212CC..  trans-132.4147.6172.2-173.40000113.3L17 L18 H23 R24 Q46 F70L17-T21 WeakPolarHBondContact O-CG2 3.48Å; L17-T21 PolarHBondContact O-N 2.71Å; L18-T21 VanDerWaalsContact O-O 3.07Å; T21-H23 PolarHBondContact OG1-CD2 2.71Å; T21-H23 PolarHBondContact OG1-N 2.93Å; T21-H23 VanDerWaalsContact OG1-N 3.08Å; T21-R24 PolarHBondContact O-NH1 2.76Å; T21-Q46 PolarHBondContact OG1-OE1 2.91Å; T21-F70 HydrophobicContact CG2-CD1 4.06Å; T21-F70 HydrophobicContact CG2-CE1 4.01Å; T21-F70 HydrophobicContact CG2-CG 4.37Å; T21-F70 HydrophobicContact CG2-CZ 4.3Å
22K98.2Very high97.3Very high199 Ų19940.9 Ų40.987%0.86520%0.196SC*.SBendtrans-83.5-15169.2-66.9-176.7-179.7177.50112.8
23H98.4Very high96.5Very high21 Ų2137.6 Ų37.610%0.09718%0.179CC..  trans-67.7143.7178.9-63.4-73.7000110.9T21 E44 F70 F72T21-H23 PolarHBondContact OG1-CD2 2.71Å; T21-H23 PolarHBondContact OG1-N 2.93Å; T21-H23 VanDerWaalsContact OG1-N 3.08Å; H23-E44 PolarHBondContact CE1-O 2.85Å; H23-E44 VanDerWaalsContact CE1-O 3.25Å; H23-E44 PolarHBondContact NE2-O 2.81Å; H23-F70 HydrophobicContact CB-CB 4Å; H23-F70 HydrophobicContact CB-CD1 4Å; H23-F70 HydrophobicContact CB-CG 4.41Å; H23-F72 AromaticContact CE1-CE2 3.69Å; H23-F72 AromaticContact ND1-CE2 3.65Å
24R97.9Very high95.4Very high130 Ų13038.8 Ų38.849%0.49119%0.191SC..  trans-126.386.6172.7-64.2-63.5177.2-95.99107.1L18 T21 Q26 A77L18-R24 PolarHBondContact O-NH2 3.39Å; T21-R24 PolarHBondContact O-NH1 2.76Å; R24-Q26 PolarHBondContact O-N 3.33Å; R24-A77 WeakPolarHBondContact O-CB 3.5Å
25P97.7Very high94.4Very high3 Ų339.2 Ų39.22%0.01919%0.193CC..  trans-68134.3-170.529.6-35.9000110.4F70 A77 V79 L106 V108P25-F70 HydrophobicContact CG-CD1 4.22Å; P25-F70 HydrophobicContact CG-CE1 3.95Å; P25-A77 WeakPolarHBondContact CA-O 3.42Å; P25-V79 HydrophobicContact CB-CB 3.84Å; P25-V79 HydrophobicContact CB-CG1 3.78Å; P25-V79 HydrophobicContact CG-CB 3.93Å; P25-V79 HydrophobicContact CG-CG1 3.79Å; P25-L106 HydrophobicContact CG-CB 4.33Å; P25-L106 HydrophobicContact CG-CD1 4.43Å; P25-V108 HydrophobicContact CB-CG2 4.14Å; P25-V108 HydrophobicContact CG-CG2 3.88Å; P25-V108 WeakPolarHBondContact O-CG2 3.39Å
26Q96.6Very high93.5Very high24 Ų2435.5 Ų35.511%0.11218%0.18CC..SBendtrans-87.9-31.8169.3-170.1-167.7-1.100110.5R24 A77 V108 D109 T110 P283 P285R24-Q26 PolarHBondContact O-N 3.33Å; Q26-A77 PolarHBondContact N-O 3.06Å; Q26-V108 WeakPolarHBondContact O-CG1 3.48Å; Q26-D109 VanDerWaalsContact CG-OD2 3.3Å; Q26-D109 WeakPolarHBondContact CG-OD2 3.46Å; Q26-D109 PolarHBondContact NE2-OD2 3.44Å; Q26-D109 PolarHBondContact O-N 3.24Å; Q26-T110 PolarHBondContact O-N 3.45Å; Q26-P283 PolarHBondContact NE2-O 2.84Å; Q26-P285 HydrophobicContact CG-CG 4.15Å; Q26-P285 VanDerWaalsContact NE2-CD 3.32Å; Q26-P285 VanDerWaalsContact NE2-N 3.19Å
27V97.4Very high92.7Very high0 Ų033.9 Ų33.90%018%0.183CC..EExtended strand (participates in β ladder)trans-121127.3-172.6-170.10000110.1I29 A77 C78 V79 T110 V112 M279 I282V27-I29 HydrophobicContact CG1-CG1 4.21Å; V27-A77 PolarHBondContact N-O 2.87Å; V27-C78 CarbonylContact O-C 3.51Å; V27-C78 VanDerWaalsContact O-CA 3.23Å; V27-C78 WeakPolarHBondContact O-CA 3.18Å; V27-V79 PolarHBondContact O-N 2.86Å; V27-T110 CarbonylContact C-O 3.55Å; V27-T110 WeakPolarHBondContact CA-O 3.39Å; V27-T110 HydrophobicContact CG1-CG2 4.43Å; V27-V112 HydrophobicContact CG1-CG2 3.97Å; V27-M279 HydrophobicContact CG1-CE 3.94Å; V27-I282 HydrophobicContact CB-CD1 4.26Å; V27-I282 HydrophobicContact CG1-CD1 3.7Å; V27-I282 HydrophobicContact CG2-CD1 3.49Å; V27-I282 VanDerWaalsContact CG2-CD1 3.49Å; V27-I282 HydrophobicContact CG2-CG2 4.17Å
28A98.3Very high91.9Very high0 Ų034.7 Ų34.70%019%0.188CC..EExtended strand (participates in β ladder)trans-97.7137.1166.300000109.8V79 F103 V108 T110 L111 V112A28-V79 CarbonylContact C-O 3.58Å; A28-V79 VanDerWaalsContact CA-O 3.25Å; A28-V79 WeakPolarHBondContact CA-O 3.42Å; A28-V79 HydrophobicContact CB-CG1 3.81Å; A28-F103 HydrophobicContact CB-CB 4.06Å; A28-F103 HydrophobicContact CB-CD1 4.38Å; A28-F103 HydrophobicContact CB-CD2 3.45Å; A28-F103 VanDerWaalsContact CB-CD2 3.45Å; A28-F103 HydrophobicContact CB-CE2 4Å; A28-F103 HydrophobicContact CB-CG 3.7Å; A28-V108 HydrophobicContact CB-CG1 3.71Å; A28-V108 HydrophobicContact CB-CG2 4.29Å; A28-V108 VanDerWaalsContact N-CG1 3.32Å; A28-T110 PolarHBondContact N-O 3.11Å; A28-L111 HydrophobicContact CB-CD1 3.67Å; A28-L111 CarbonylContact O-C 3.57Å; A28-L111 WeakPolarHBondContact O-CA 3.14Å; A28-V112 PolarHBondContact O-N 3.33Å
29I97.3Very high91.4Very high1 Ų133.1 Ų33.11%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-122.9127.7174.8-48.4178.9000108.7V27 L38 L73 V79 I80 M81 V112 T114 M279V27-I29 HydrophobicContact CG1-CG1 4.21Å; I29-L38 HydrophobicContact CD1-CD2 4.08Å; I29-L38 HydrophobicContact CG2-CD2 3.94Å; I29-L73 HydrophobicContact CD1-CD2 3.77Å; I29-V79 PolarHBondContact N-O 3.12Å; I29-I80 HydrophobicContact CB-CG1 4.08Å; I29-I80 HydrophobicContact CB-CG2 4.34Å; I29-I80 HydrophobicContact CD1-CD1 4.05Å; I29-I80 HydrophobicContact CD1-CG1 4.22Å; I29-I80 HydrophobicContact CG1-CG1 4.35Å; I29-I80 CarbonylContact O-C 3.55Å; I29-I80 VanDerWaalsContact O-CA 3.29Å; I29-I80 WeakPolarHBondContact O-CA 3.27Å; I29-M81 PolarHBondContact O-N 3.42Å; I29-V112 CarbonylContact C-O 3.53Å; I29-V112 WeakPolarHBondContact CA-O 3.34Å; I29-V112 HydrophobicContact CB-CB 4.45Å; I29-V112 HydrophobicContact CG1-CB 4.18Å; I29-V112 HydrophobicContact CG2-CB 4.2Å; I29-V112 HydrophobicContact CG2-CG1 4.26Å; I29-T114 HydrophobicContact CG2-CG2 4.36Å; I29-M279 HydrophobicContact CD1-CE 3.89Å
30I96.9Very high91Very high1 Ų134.9 Ų34.91%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-105.6108.3174.4-53.7-178.9000109M81 R84 V100 F103 L111 V112 V113 T114 E224I30-M81 HydrophobicContact CD1-SD 4.06Å; I30-M81 HydrophobicContact CG1-CB 4.42Å; I30-M81 HydrophobicContact CG1-CG 4.48Å; I30-M81 HydrophobicContact CG1-SD 3.93Å; I30-M81 HydrophobicContact CG2-CB 4.2Å; I30-M81 HydrophobicContact CG2-SD 4.3Å; I30-R84 HydrophobicContact CG2-CB 3.68Å; I30-R84 VanDerWaalsContact CG2-NH2 3.25Å; I30-R84 PolarHBondContact O-NH2 3.29Å; I30-V100 HydrophobicContact CD1-CG2 4.26Å; I30-F103 HydrophobicContact CG1-CE2 4.44Å; I30-L111 HydrophobicContact CD1-CD1 3.95Å; I30-L111 HydrophobicContact CD1-CD2 4.44Å; I30-L111 HydrophobicContact CG1-CD1 3.94Å; I30-V112 PolarHBondContact N-O 2.98Å; I30-V113 HydrophobicContact CD1-CG1 4.3Å; I30-T114 PolarHBondContact O-N 3Å; I30-T114 PolarHBondContact O-OG1 2.86Å; I30-T114 VanDerWaalsContact O-OG1 3.05Å; I30-E224 HydrophobicContact CD1-CB 4.09Å; I30-E224 HydrophobicContact CD1-CG 3.94Å
31C92.3Very high90.5Very high1 Ų135.2 Ų35.21%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-80.9123.9179.3-67.20000111.6L35 I80 M81 T114C31-L35 HydrophobicContact CB-CB 4.39Å; C31-L35 PolarHBondContact SG-O 2.87Å; C31-L35 VanDerWaalsContact SG-O 3.37Å; C31-I80 VanDerWaalsContact SG-CG2 3.51Å; C31-M81 WeakPolarHBondContact CB-O 3.41Å; C31-M81 PolarHBondContact N-O 2.9Å; C31-T114 WeakPolarHBondContact CA-OG1 3.37Å
32G85.6Confident90.2Very high4 Ų435.7 Ų35.74%0.04119%0.185CC..  trans-80.4-177.6169.400000115.1G34 L35 T114G32-G34 PolarHBondContact O-N 3.03Å; G32-L35 WeakPolarHBondContact O-CB 3.45Å; G32-L35 PolarHBondContact O-N 3.49Å; G32-T114 WeakPolarHBondContact CA-O 3.3Å; G32-T114 PolarHBondContact N-O 3.49Å; G32-T114 VanDerWaalsContact N-O 3.14Å; G32-T114 PolarHBondContact N-OG1 2.82Å
33S81.9Confident90.1Very high14 Ų1430.2 Ų30.210%0.09817%0.168CC..THydrogen-bonded Turntrans-55.5127.4-179.8-46.70000111.1L35 H64S33-L35 PolarHBondContact O-N 2.74Å; S33-H64 PolarHBondContact OG-NE2 2.75Å; S33-H64 VanDerWaalsContact OG-NE2 3.15Å
34G74.5Confident90Very high25 Ų2536.1 Ų36.126%0.25820%0.196SC..THydrogen-bonded Turntrans76.6-0-177.700000115.5G32G32-G34 PolarHBondContact O-N 3.03Å
35L79.3Confident90Very high11 Ų1132.5 Ų32.56%0.05819%0.193CC..  trans-1086.7-177.4-48.8176.3000112.6C31 G32 S33 G37 L38 T114 L240 L271C31-L35 HydrophobicContact CB-CB 4.39Å; C31-L35 PolarHBondContact SG-O 2.87Å; C31-L35 VanDerWaalsContact SG-O 3.37Å; G32-L35 WeakPolarHBondContact O-CB 3.45Å; G32-L35 PolarHBondContact O-N 3.49Å; S33-L35 PolarHBondContact O-N 2.74Å; L35-G37 VanDerWaalsContact C-N 3.29Å; L35-G37 PolarHBondContact O-N 3.25Å; L35-L38 PolarHBondContact O-N 3.23Å; L35-T114 WeakPolarHBondContact CD1-OG1 3.42Å; L35-L240 HydrophobicContact CD2-CB 4.44Å; L35-L240 HydrophobicContact CD2-CD2 4.02Å; L35-L271 HydrophobicContact CD2-CD1 3.15Å; L35-L271 HydrophobicContact CD2-CD2 3.95Å; L35-L271 HydrophobicContact CD2-CG 4.17Å
36G79.4Confident90.1Very high17 Ų1735.2 Ų35.218%0.17521%0.206CC..G310 helixtrans-66.8-23.5-176.900000114.5L38 T39 Q82G36-L38 PolarHBondContact O-N 3.35Å; G36-T39 PolarHBondContact O-N 3.35Å; G36-T39 PolarHBondContact O-OG1 2.94Å; G36-Q82 PolarHBondContact O-NE2 2.66Å
37G82Confident90.2Very high29 Ų2938.6 Ų38.630%0.29922%0.224SC..G310 helixtrans-64.5-9.9179.600000114.4L35 T39 D40L35-G37 VanDerWaalsContact C-N 3.29Å; L35-G37 PolarHBondContact O-N 3.25Å; G37-T39 PolarHBondContact O-N 3.07Å; G37-D40 WeakPolarHBondContact O-CB 3.05Å; G37-D40 PolarHBondContact O-N 3.49Å; G37-D40 VanDerWaalsContact O-N 3.1Å
38L82.6Confident90.2Very high18 Ų1839.1 Ų39.19%0.09423%0.226CC..G310 helixtrans-59.7-30.2175.9-174.161.4000112.9I29 L35 G36 D40 K41 L73 I80 V275I29-L38 HydrophobicContact CD1-CD2 4.08Å; I29-L38 HydrophobicContact CG2-CD2 3.94Å; L35-L38 PolarHBondContact O-N 3.23Å; G36-L38 PolarHBondContact O-N 3.35Å; L38-D40 PolarHBondContact O-N 2.93Å; L38-K41 PolarHBondContact O-N 3.26Å; L38-L73 HydrophobicContact CD1-CD2 4.3Å; L38-L73 HydrophobicContact CG-CD2 4.4Å; L38-I80 HydrophobicContact CD2-CD1 4.33Å; L38-I80 HydrophobicContact CG-CD1 4.26Å; L38-V275 HydrophobicContact CD1-CB 3.92Å; L38-V275 HydrophobicContact CD1-CG1 3.84Å; L38-V275 HydrophobicContact CD1-CG2 3.79Å; L38-V275 HydrophobicContact CD2-CG1 4.19Å; L38-V275 HydrophobicContact CD2-CG2 3.83Å; L38-V275 HydrophobicContact CG-CG2 4.47Å
39T88.5Confident90.2Very high11 Ų1141.6 Ų41.67%0.06724%0.239CC..G310 helixtrans-63.1-25.6177.952.90000113G36 G37 K41 L42 V69 I80 Q82G36-T39 PolarHBondContact O-N 3.35Å; G36-T39 PolarHBondContact O-OG1 2.94Å; G37-T39 PolarHBondContact O-N 3.07Å; T39-K41 PolarHBondContact O-N 2.9Å; T39-K41 VanDerWaalsContact O-N 3.11Å; T39-L42 WeakPolarHBondContact O-CB 3.37Å; T39-L42 PolarHBondContact O-N 2.77Å; T39-L42 VanDerWaalsContact O-N 3.07Å; T39-V69 HydrophobicContact CG2-CB 4.02Å; T39-V69 HydrophobicContact CG2-CG2 3.77Å; T39-I80 HydrophobicContact CG2-CB 4.06Å; T39-I80 HydrophobicContact CG2-CD1 4.45Å; T39-I80 HydrophobicContact CG2-CG2 3.71Å; T39-Q82 HydrophobicContact CG2-CB 3.98Å; T39-Q82 HydrophobicContact CG2-CG 3.96Å; T39-Q82 PolarHBondContact OG1-NE2 3.4Å
40D88.3Confident90.2Very high126 Ų12641.7 Ų41.767%0.67424%0.24SC*.G310 helixtrans-69.3-11.1-177.2-56.6-14000112G37 L38G37-D40 WeakPolarHBondContact O-CB 3.05Å; G37-D40 PolarHBondContact O-N 3.49Å; G37-D40 VanDerWaalsContact O-N 3.1Å; L38-D40 PolarHBondContact O-N 2.93Å
41K88.6Confident90.2Very high98 Ų9845.6 Ų45.643%0.42627%0.267SS..G310 helixtrans-96.3-5.6176.8-54.8-54.3-175.5170.70113.8L38 T39 T43 L73 E272L38-K41 PolarHBondContact O-N 3.26Å; T39-K41 PolarHBondContact O-N 2.9Å; T39-K41 VanDerWaalsContact O-N 3.11Å; K41-T43 PolarHBondContact O-N 2.82Å; K41-L73 HydrophobicContact CB-CD1 3.76Å; K41-E272 WeakPolarHBondContact CE-OE1 3.46Å; K41-E272 WeakPolarHBondContact CE-OE2 3.49Å; K41-E272 HydrophobicContact CG-CG 4.45Å; K41-E272 VanDerWaalsContact NZ-CD 3.28Å; K41-E272 IonicContact NZ-OE1 2.68Å; K41-E272 PolarHBondContact NZ-OE1 3.2Å; K41-E272 IonicContact NZ-OE2 3.34Å; K41-E272 PolarHBondContact NZ-OE2 3.42Å
42L92.6Very high90.4Very high16 Ų1650.8 Ų50.88%0.08429%0.291CS..  trans-69.3128.8176.3-72.4173.5000110T39 A45 V69 F72 L73 C78 I80T39-L42 WeakPolarHBondContact O-CB 3.37Å; T39-L42 PolarHBondContact O-N 2.77Å; T39-L42 VanDerWaalsContact O-N 3.07Å; L42-A45 HydrophobicContact CB-CB 4.06Å; L42-V69 HydrophobicContact CD1-CB 3.98Å; L42-V69 HydrophobicContact CD1-CG1 3.5Å; L42-V69 VanDerWaalsContact CD1-CG1 3.5Å; L42-F72 WeakPolarHBondContact CA-O 3.43Å; L42-L73 HydrophobicContact CD2-CB 3.83Å; L42-L73 HydrophobicContact CD2-CD1 4.45Å; L42-C78 HydrophobicContact CD2-CB 4.14Å; L42-I80 HydrophobicContact CD1-CD1 3.72Å; L42-I80 HydrophobicContact CD1-CG1 4Å; L42-I80 HydrophobicContact CD2-CD1 4.03Å; L42-I80 HydrophobicContact CG-CD1 3.94Å
43T95.8Very high91.1Very high85 Ų8550.9 Ų50.952%0.52129%0.291SS..EExtended strand (participates in β ladder)trans-88.7150165.759.10000109.7K41 A45 G71 F72K41-T43 PolarHBondContact O-N 2.82Å; T43-A45 PolarHBondContact O-N 3.46Å; T43-G71 WeakPolarHBondContact O-CA 2.97Å; T43-F72 PolarHBondContact N-O 3.15Å; T43-F72 PolarHBondContact O-N 3.2Å; T43-F72 WeakPolarHBondContact OG1-CB 3.49Å; T43-F72 PolarHBondContact OG1-O 3.24Å
44E97.3Very high91.8Very high144 Ų14452.4 Ų52.467%0.67330%0.3SS*.EExtended strand (participates in β ladder)trans53.142.4-174.2-56.4178.8-144.300111.8H23 Q46 F72H23-E44 PolarHBondContact CE1-O 2.85Å; H23-E44 VanDerWaalsContact CE1-O 3.25Å; H23-E44 PolarHBondContact NE2-O 2.81Å; E44-Q46 PolarHBondContact O-N 2.77Å; E44-F72 HydrophobicContact CB-CD2 4.13Å; E44-F72 HydrophobicContact CB-CE2 4.39Å; E44-F72 HydrophobicContact CG-CD2 4.44Å
45A97.8Very high92.9Very high54 Ų5454.2 Ų54.245%0.44630%0.304SS..EExtended strand (participates in β ladder)trans-66.6129.6-175.700000111.4L42 T43 V69 F70L42-A45 HydrophobicContact CB-CB 4.06Å; T43-A45 PolarHBondContact O-N 3.46Å; A45-V69 HydrophobicContact CB-CG1 4.16Å; A45-F70 CarbonylContact C-O 3.59Å; A45-F70 VanDerWaalsContact CA-O 3.23Å; A45-F70 WeakPolarHBondContact CA-O 3.47Å
46Q98.5Very high93.7Very high61 Ų6154.5 Ų54.529%0.28531%0.305SS..EExtended strand (participates in β ladder)trans-120.2122.1169.5-172.5179.51.500109.3H20 T21 E44 F48 V69 F70H20-Q46 PolarHBondContact O-NE2 3.4Å; T21-Q46 PolarHBondContact OG1-OE1 2.91Å; E44-Q46 PolarHBondContact O-N 2.77Å; Q46-F48 HydrophobicContact CG-CE2 3.83Å; Q46-F48 HydrophobicContact CG-CZ 4.14Å; Q46-F48 VanDerWaalsContact NE2-CZ 3.26Å; Q46-V69 WeakPolarHBondContact O-CA 3.49Å; Q46-F70 HydrophobicContact CB-CB 4.41Å; Q46-F70 PolarHBondContact N-O 3.12Å; Q46-F70 PolarHBondContact O-N 3.46Å
47I98.4Very high94.4Very high94 Ų9454.1 Ų54.148%0.48230%0.299SS..EExtended strand (participates in β ladder)trans-105.9139.1-171.7-60.1167.9000109.4R67 V69I47-R67 HydrophobicContact CG2-CB 4.29Å; I47-R67 HydrophobicContact CG2-CG 4.25Å; I47-V69 HydrophobicContact CG1-CG1 3.9Å; I47-V69 HydrophobicContact CG1-CG2 4.19Å
48F98.4Very high94.9Very high12 Ų1258.1 Ų58.15%0.05331%0.31CS..EExtended strand (participates in β ladder)trans-127.7125.5168.9-62.4-91.4000108.7W16 L17 H20 Q46 I53 R67 L68 F70W16-F48 AromaticContact CH2-CD1 3.86Å; W16-F48 HydrophobicContact CH2-CD1 3.86Å; W16-F48 HydrophobicContact CH2-CE1 4.09Å; W16-F48 AromaticContact CZ3-CD1 3.83Å; W16-F48 HydrophobicContact CZ3-CD1 3.83Å; W16-F48 HydrophobicContact CZ3-CE1 4.04Å; L17-F48 HydrophobicContact CD2-CD2 4.47Å; L17-F48 HydrophobicContact CD2-CG 4.44Å; H20-F48 HydrophobicContact CB-CE1 3.8Å; H20-F48 HydrophobicContact CB-CZ 4.04Å; Q46-F48 HydrophobicContact CG-CE2 3.83Å; Q46-F48 HydrophobicContact CG-CZ 4.14Å; Q46-F48 VanDerWaalsContact NE2-CZ 3.26Å; F48-I53 HydrophobicContact CB-CD1 3.87Å; F48-I53 HydrophobicContact CB-CG1 3.98Å; F48-R67 CarbonylContact O-C 3.5Å; F48-R67 WeakPolarHBondContact O-CA 3.19Å; F48-L68 HydrophobicContact CB-CB 4.45Å; F48-L68 PolarHBondContact N-O 3.44Å; F48-L68 PolarHBondContact O-N 3.14Å; F48-F70 AromaticContact CD2-CD2 3.69Å; F48-F70 HydrophobicContact CD2-CD2 3.69Å; F48-F70 AromaticContact CD2-CE2 3.74Å; F48-F70 HydrophobicContact CD2-CE2 3.74Å; F48-F70 AromaticContact CE2-CD2 3.64Å; F48-F70 HydrophobicContact CE2-CD2 3.64Å; F48-F70 AromaticContact CE2-CE2 3.81Å; F48-F70 HydrophobicContact CE2-CE2 3.81Å
49D97.9Very high95Very high51 Ų5158.5 Ų58.527%0.27332%0.315SS..EExtended strand (participates in β ladder)trans-70.5141.4170-73.6-37000108.8S51 E52 R67D49-S51 PolarHBondContact O-N 3.3Å; D49-S51 VanDerWaalsContact O-N 3.08Å; D49-E52 HydrophobicContact CB-CG 4.13Å; D49-E52 PolarHBondContact N-OE2 2.98Å; D49-E52 VanDerWaalsContact N-OE2 3.12Å; D49-E52 WeakPolarHBondContact O-CB 3.42Å; D49-E52 PolarHBondContact O-N 2.94Å; D49-R67 WeakPolarHBondContact OD1-CD 3.39Å; D49-R67 WeakPolarHBondContact OD1-CG 3.33Å; D49-R67 IonicContact OD1-CZ 3.62Å; D49-R67 IonicContact OD1-NE 2.71Å; D49-R67 PolarHBondContact OD1-NE 3.39Å; D49-R67 IonicContact OD1-NH2 3.7Å
50Y97.8Very high94.9Very high4 Ų462.4 Ų62.42%0.01634%0.338CS..G310 helixtrans-57.2-29.4-179.9-67.5-17.2000112.8E52 I53 F56 P57 G66 R67 L68 M81 G83 F85Y50-E52 PolarHBondContact O-N 3.01Å; Y50-I53 HydrophobicContact CD1-CD1 4.28Å; Y50-I53 PolarHBondContact O-N 2.92Å; Y50-F56 AromaticContact CD1-CD1 3.58Å; Y50-F56 HydrophobicContact CD1-CD1 3.58Å; Y50-F56 AromaticContact CD1-CE1 3.56Å; Y50-F56 HydrophobicContact CD1-CE1 3.56Å; Y50-F56 HydrophobicContact CD2-CD1 4.41Å; Y50-F56 HydrophobicContact CE1-CD1 4.11Å; Y50-F56 AromaticContact CE1-CE1 3.6Å; Y50-F56 HydrophobicContact CE1-CE1 3.6Å; Y50-F56 AromaticContact CG-CD1 3.76Å; Y50-F56 HydrophobicContact CG-CD1 3.76Å; Y50-F56 HydrophobicContact CG-CE1 4.12Å; Y50-P57 WeakPolarHBondContact CB-O 3.45Å; Y50-G66 WeakPolarHBondContact CB-O 3.44Å; Y50-G66 VanDerWaalsContact CD2-CA 3.41Å; Y50-G66 WeakPolarHBondContact CD2-O 3.25Å; Y50-G66 VanDerWaalsContact CE2-CA 3.46Å; Y50-G66 VanDerWaalsContact CG-C 3.45Å; Y50-G66 PolarHBondContact N-O 3.46Å; Y50-R67 VanDerWaalsContact CE1-O 3.26Å; Y50-R67 WeakPolarHBondContact CE1-O 3.46Å; Y50-R67 PolarHBondContact OH-O 3.46Å; Y50-L68 HydrophobicContact CD1-CB 4.3Å; Y50-L68 HydrophobicContact CE1-CB 3.94Å; Y50-L68 HydrophobicContact CE1-CD1 4.42Å; Y50-M81 WeakPolarHBondContact OH-CA 3.45Å; Y50-M81 VanDerWaalsContact OH-CB 3.28Å; Y50-M81 WeakPolarHBondContact OH-CB 3.5Å; Y50-M81 WeakPolarHBondContact OH-CE 3.33Å; Y50-G83 WeakPolarHBondContact CE2-O 3.46Å; Y50-G83 PolarHBondContact OH-O 2.8Å; Y50-F85 AromaticContact CD2-CE1 3.68Å; Y50-F85 HydrophobicContact CD2-CE1 3.68Å; Y50-F85 AromaticContact CD2-CZ 3.64Å; Y50-F85 HydrophobicContact CD2-CZ 3.64Å; Y50-F85 AromaticContact CE2-CE1 3.69Å; Y50-F85 HydrophobicContact CE2-CE1 3.69Å; Y50-F85 AromaticContact CE2-CZ 3.61Å; Y50-F85 HydrophobicContact CE2-CZ 3.61Å; Y50-F85 HydrophobicContact CG-CZ 4.41Å
51S96.9Very high94.6Very high83 Ų8357.2 Ų57.258%0.5831%0.311SS*.G310 helixtrans-64.9-20.3176.249.50000114.6D49D49-S51 PolarHBondContact O-N 3.3Å; D49-S51 VanDerWaalsContact O-N 3.08Å
52E97.1Very high93.8Very high109 Ų10957 Ų5751%0.50932%0.32SS..G310 helixtrans-92-20-179.2-57.3175.5139.300111.8D49 Y50D49-E52 HydrophobicContact CB-CG 4.13Å; D49-E52 PolarHBondContact N-OE2 2.98Å; D49-E52 VanDerWaalsContact N-OE2 3.12Å; D49-E52 WeakPolarHBondContact O-CB 3.42Å; D49-E52 PolarHBondContact O-N 2.94Å; Y50-E52 PolarHBondContact O-N 3.01Å
53I98.5Very high92.8Very high7 Ų758.8 Ų58.84%0.03634%0.342CS..SBendtrans-85.7125.4-175.6-55.7168.4000109T13 W16 L17 F48 Y50 N55 F56 L68T13-I53 HydrophobicContact CG2-CG2 3.59Å; W16-I53 HydrophobicContact CE3-CG2 4.42Å; W16-I53 HydrophobicContact CZ3-CB 4.39Å; W16-I53 HydrophobicContact CZ3-CG1 3.99Å; W16-I53 HydrophobicContact CZ3-CG2 4.46Å; L17-I53 HydrophobicContact CD1-CG2 4.38Å; L17-I53 HydrophobicContact CD2-CD1 4.25Å; L17-I53 HydrophobicContact CD2-CG1 4.24Å; L17-I53 HydrophobicContact CD2-CG2 4.32Å; L17-I53 HydrophobicContact CG-CG2 4.34Å; F48-I53 HydrophobicContact CB-CD1 3.87Å; F48-I53 HydrophobicContact CB-CG1 3.98Å; Y50-I53 HydrophobicContact CD1-CD1 4.28Å; Y50-I53 PolarHBondContact O-N 2.92Å; I53-N55 PolarHBondContact O-N 3.42Å; I53-F56 HydrophobicContact CB-CB 3.8Å; I53-F56 HydrophobicContact CB-CD2 4.08Å; I53-F56 HydrophobicContact CB-CG 4.02Å; I53-F56 HydrophobicContact CD1-CD1 4.42Å; I53-F56 HydrophobicContact CD1-CD2 4.41Å; I53-F56 HydrophobicContact CD1-CG 4.34Å; I53-F56 HydrophobicContact CG2-CB 3.97Å; I53-F56 HydrophobicContact CG2-CD2 3.44Å; I53-F56 VanDerWaalsContact CG2-CD2 3.44Å; I53-F56 HydrophobicContact CG2-CE2 4.12Å; I53-F56 HydrophobicContact CG2-CG 3.91Å; I53-F56 WeakPolarHBondContact O-CB 3.48Å; I53-F56 PolarHBondContact O-N 3.04Å; I53-L68 HydrophobicContact CD1-CB 3.77Å; I53-L68 HydrophobicContact CD1-CD2 3.91Å
54P97.6Very high92Very high46 Ų4655.4 Ų55.430%0.29932%0.321SS..THydrogen-bonded Turntrans-55139.2177.9-25.633.9000112.2T13 W16 F56T13-P54 VanDerWaalsContact CG2-O 3.31Å; T13-P54 WeakPolarHBondContact CG2-O 3.49Å; T13-P54 PolarHBondContact OG1-O 2.99Å; W16-P54 HydrophobicContact CB-CG 4.09Å; W16-P54 VanDerWaalsContact CD2-CD 3.46Å; W16-P54 HydrophobicContact CD2-CG 3.94Å; W16-P54 HydrophobicContact CG-CG 3.67Å; P54-F56 PolarHBondContact O-N 2.92Å
55N97.4Very high91.5Very high63 Ų6352.2 Ų52.234%0.33731%0.31SS..THydrogen-bonded Turntrans64.1-6.2177.2-52.4-42.2000116.2Y5 D9 T13 I53 F98Y5-N55 HydrophobicContact CE1-CB 3.93Å; Y5-N55 PolarHBondContact OH-O 3.4Å; D9-N55 PolarHBondContact O-ND2 3.32Å; T13-N55 PolarHBondContact OG1-ND2 3.34Å; I53-N55 PolarHBondContact O-N 3.42Å; N55-F98 HydrophobicContact CB-CE1 4.23Å; N55-F98 HydrophobicContact CB-CE2 4.15Å; N55-F98 HydrophobicContact CB-CZ 3.63Å
56F96.6Very high91.3Very high17 Ų1750.1 Ų50.18%0.07529%0.294CS..  trans-70.8136.8-172.5-128.3-102.7000111.4T13 Y50 I53 P54 L68 F85 F98 P99T13-F56 HydrophobicContact CG2-CD2 4.06Å; T13-F56 HydrophobicContact CG2-CE2 4.42Å; Y50-F56 AromaticContact CD1-CD1 3.58Å; Y50-F56 HydrophobicContact CD1-CD1 3.58Å; Y50-F56 AromaticContact CD1-CE1 3.56Å; Y50-F56 HydrophobicContact CD1-CE1 3.56Å; Y50-F56 HydrophobicContact CD2-CD1 4.41Å; Y50-F56 HydrophobicContact CE1-CD1 4.11Å; Y50-F56 AromaticContact CE1-CE1 3.6Å; Y50-F56 HydrophobicContact CE1-CE1 3.6Å; Y50-F56 AromaticContact CG-CD1 3.76Å; Y50-F56 HydrophobicContact CG-CD1 3.76Å; Y50-F56 HydrophobicContact CG-CE1 4.12Å; I53-F56 HydrophobicContact CB-CB 3.8Å; I53-F56 HydrophobicContact CB-CD2 4.08Å; I53-F56 HydrophobicContact CB-CG 4.02Å; I53-F56 HydrophobicContact CD1-CD1 4.42Å; I53-F56 HydrophobicContact CD1-CD2 4.41Å; I53-F56 HydrophobicContact CD1-CG 4.34Å; I53-F56 HydrophobicContact CG2-CB 3.97Å; I53-F56 HydrophobicContact CG2-CD2 3.44Å; I53-F56 VanDerWaalsContact CG2-CD2 3.44Å; I53-F56 HydrophobicContact CG2-CE2 4.12Å; I53-F56 HydrophobicContact CG2-CG 3.91Å; I53-F56 WeakPolarHBondContact O-CB 3.48Å; I53-F56 PolarHBondContact O-N 3.04Å; P54-F56 PolarHBondContact O-N 2.92Å; F56-L68 HydrophobicContact CZ-CD1 4.47Å; F56-L68 HydrophobicContact CZ-CD2 4.25Å; F56-F85 HydrophobicContact CD1-CZ 4.13Å; F56-F85 HydrophobicContact CE1-CE2 4.43Å; F56-F85 HydrophobicContact CE1-CZ 4.26Å; F56-F98 AromaticContact CD2-CD1 4Å; F56-F98 HydrophobicContact CD2-CD1 4Å; F56-F98 AromaticContact CD2-CE1 3.71Å; F56-F98 HydrophobicContact CD2-CE1 3.71Å; F56-F98 HydrophobicContact CE2-CD1 4.27Å; F56-F98 HydrophobicContact CE2-CE1 4.18Å; F56-P99 HydrophobicContact CE1-CB 4.29Å; F56-P99 HydrophobicContact CE1-CG 3.79Å; F56-P99 HydrophobicContact CE2-CB 4.28Å; F56-P99 HydrophobicContact CE2-CG 4.27Å; F56-P99 HydrophobicContact CZ-CB 3.65Å; F56-P99 HydrophobicContact CZ-CG 3.6Å
57P94.4Very high91.2Very high8 Ų851.5 Ų51.55%0.05230%0.297CS..  trans-67.2161.2172.4-13.727.2000111.9Y50 F85 K95 F98Y50-P57 WeakPolarHBondContact CB-O 3.45Å; P57-F85 HydrophobicContact CB-CD1 4.07Å; P57-F85 HydrophobicContact CB-CD2 3.99Å; P57-F85 HydrophobicContact CB-CE1 3.86Å; P57-F85 HydrophobicContact CB-CE2 3.74Å; P57-F85 HydrophobicContact CB-CG 4.15Å; P57-F85 HydrophobicContact CB-CZ 3.69Å; P57-F85 HydrophobicContact CG-CD2 3.92Å; P57-F85 HydrophobicContact CG-CE2 3.61Å; P57-F85 HydrophobicContact CG-CZ 4.02Å; P57-F85 WeakPolarHBondContact O-CE1 3.46Å; P57-F85 WeakPolarHBondContact O-CZ 3.39Å; P57-K95 HydrophobicContact CG-CB 4.24Å; P57-K95 WeakPolarHBondContact CG-O 3.19Å; P57-F98 HydrophobicContact CG-CB 4.41Å
58Q91.1Very high91.1Very high113 Ų11347 Ų4753%0.52827%0.274SS..  trans-105.3142.6176.5-64.4-172.9-12.600111Y91Q58-Y91 WeakPolarHBondContact O-CE2 3.13Å; Q58-Y91 VanDerWaalsContact O-CZ 3.26Å; Q58-Y91 PolarHBondContact O-OH 2.87Å
59S84.6Confident91.1Very high27 Ų2746.6 Ų46.619%0.18927%0.272CS..  trans-80.8134.8173.8-67.80000110.4R84S59-R84 PolarHBondContact OG-O 3.02Å
60T87.3Confident91.2Very high93 Ų9344.1 Ų44.157%0.57126%0.259SS*.  trans-116.1-7.6176.865.50000113.3E89T60-E89 PolarHBondContact N-OE1 2.93Å; T60-E89 PolarHBondContact OG1-OE1 2.96Å
61V81.1Confident91.2Very high17 Ų1744 Ų4410%0.10326%0.258CS..SBendtrans-81.7132.3-178.71770000112.1G63 H64 Y88 E89V61-G63 PolarHBondContact O-N 3.47Å; V61-H64 WeakPolarHBondContact O-CB 2.98Å; V61-H64 PolarHBondContact O-N 3.14Å; V61-H64 VanDerWaalsContact O-N 3.11Å; V61-Y88 HydrophobicContact CG2-CE2 3.56Å; V61-E89 VanDerWaalsContact CG2-CD 3.42Å; V61-E89 HydrophobicContact CG2-CG 3.53Å
62P73.4Confident91.1Very high93 Ų9342.8 Ų42.860%0.60424%0.243SC*.THydrogen-bonded Turntrans-53.5136.6171-26.835.5000112.7H64P62-H64 VanDerWaalsContact C-N 3.3Å
63G70.2Confident90.8Very high54 Ų5437.9 Ų37.956%0.55722%0.22SC*.THydrogen-bonded Turntrans85-4.8-17600000114.8V61V61-G63 PolarHBondContact O-N 3.47Å
64H79.9Confident90.4Very high14 Ų1442.4 Ų42.47%0.06525%0.245CC..  trans-99.7105169.9-71.4-128.9000108.7S33 V61 P62 G66 G83 R84 H86S33-H64 PolarHBondContact OG-NE2 2.75Å; S33-H64 VanDerWaalsContact OG-NE2 3.15Å; V61-H64 WeakPolarHBondContact O-CB 2.98Å; V61-H64 PolarHBondContact O-N 3.14Å; V61-H64 VanDerWaalsContact O-N 3.11Å; P62-H64 VanDerWaalsContact C-N 3.3Å; H64-G66 PolarHBondContact O-N 3.43Å; H64-G83 VanDerWaalsContact ND1-CA 3.31Å; H64-G83 WeakPolarHBondContact ND1-CA 3.41Å; H64-R84 PolarHBondContact CE1-N 2.84Å; H64-R84 PolarHBondContact ND1-N 2.82Å; H64-R84 PolarHBondContact ND1-O 2.98Å; H64-H86 AromaticContact CE1-CE1 3.28Å; H64-H86 PolarHBondContact CE1-CE1 2.94Å; H64-H86 AromaticContact CE1-NE2 3.91Å; H64-H86 AromaticContact ND1-CE1 3.85Å; H64-H86 AromaticContact NE2-CE1 3.82Å
65V86.1Confident90Very high76 Ų7643.4 Ų43.446%0.46126%0.263SS..  trans-64.8-32.8-174.9-172.50000111.4R67 Q82V65-R67 HydrophobicContact CG1-CG 3.96Å; V65-Q82 HydrophobicContact CB-CG 4.28Å; V65-Q82 HydrophobicContact CG2-CG 4.15Å; V65-Q82 PolarHBondContact N-O 2.93Å
66G93.1Very high89.8Confident10 Ų1042.3 Ų42.310%0.10326%0.255CS..  trans84.645.6176.400000112.8Y50 H64 Q82Y50-G66 WeakPolarHBondContact CB-O 3.44Å; Y50-G66 VanDerWaalsContact CD2-CA 3.41Å; Y50-G66 WeakPolarHBondContact CD2-O 3.25Å; Y50-G66 VanDerWaalsContact CE2-CA 3.46Å; Y50-G66 VanDerWaalsContact CG-C 3.45Å; Y50-G66 PolarHBondContact N-O 3.46Å; H64-G66 PolarHBondContact O-N 3.43Å; G66-Q82 PolarHBondContact N-O 3.2Å
67R96.3Very high89.8Confident90 Ų9042.4 Ų42.434%0.3426%0.259SS..EExtended strand (participates in β ladder)trans-133.5146.2-173.8-68.8179.1176.5164.21.3113I47 F48 D49 Y50 V65 V69 Q82I47-R67 HydrophobicContact CG2-CB 4.29Å; I47-R67 HydrophobicContact CG2-CG 4.25Å; F48-R67 CarbonylContact O-C 3.5Å; F48-R67 WeakPolarHBondContact O-CA 3.19Å; D49-R67 WeakPolarHBondContact OD1-CD 3.39Å; D49-R67 WeakPolarHBondContact OD1-CG 3.33Å; D49-R67 IonicContact OD1-CZ 3.62Å; D49-R67 IonicContact OD1-NE 2.71Å; D49-R67 PolarHBondContact OD1-NE 3.39Å; D49-R67 IonicContact OD1-NH2 3.7Å; Y50-R67 VanDerWaalsContact CE1-O 3.26Å; Y50-R67 WeakPolarHBondContact CE1-O 3.46Å; Y50-R67 PolarHBondContact OH-O 3.46Å; V65-R67 HydrophobicContact CG1-CG 3.96Å; R67-V69 HydrophobicContact CB-CG2 4.38Å; R67-Q82 HydrophobicContact CB-CB 4.32Å; R67-Q82 PolarHBondContact O-N 3.03Å
68L98.3Very high89.9Confident0 Ų042 Ų420%026%0.256CS..EExtended strand (participates in β ladder)trans-105.4119.2169.9-159.866.6000109L17 F48 Y50 I53 F56 F70 V79 I80 M81 F103L17-L68 HydrophobicContact CD1-CD2 3.98Å; L17-L68 HydrophobicContact CD2-CD2 4.15Å; F48-L68 HydrophobicContact CB-CB 4.45Å; F48-L68 PolarHBondContact N-O 3.44Å; F48-L68 PolarHBondContact O-N 3.14Å; Y50-L68 HydrophobicContact CD1-CB 4.3Å; Y50-L68 HydrophobicContact CE1-CB 3.94Å; Y50-L68 HydrophobicContact CE1-CD1 4.42Å; I53-L68 HydrophobicContact CD1-CB 3.77Å; I53-L68 HydrophobicContact CD1-CD2 3.91Å; F56-L68 HydrophobicContact CZ-CD1 4.47Å; F56-L68 HydrophobicContact CZ-CD2 4.25Å; L68-F70 HydrophobicContact CD2-CE2 3.71Å; L68-F70 HydrophobicContact CD2-CZ 3.98Å; L68-F70 HydrophobicContact CG-CE2 3.96Å; L68-V79 HydrophobicContact CD1-CG2 3.66Å; L68-V79 HydrophobicContact CD2-CG2 3.96Å; L68-V79 HydrophobicContact CG-CG2 3.6Å; L68-I80 WeakPolarHBondContact CA-O 3.38Å; L68-M81 HydrophobicContact CD1-CG 3.62Å; L68-F103 HydrophobicContact CD1-CE1 3.85Å; L68-F103 HydrophobicContact CD1-CZ 3.92Å; L68-F103 HydrophobicContact CD2-CE1 4.37Å
69V98.2Very high90.2Very high3 Ų336.6 Ų36.62%0.01823%0.231CC..EExtended strand (participates in β ladder)trans-116.8112.7-174.5-166.70000110.2T39 L42 A45 Q46 I47 R67 V79 I80T39-V69 HydrophobicContact CG2-CB 4.02Å; T39-V69 HydrophobicContact CG2-CG2 3.77Å; L42-V69 HydrophobicContact CD1-CB 3.98Å; L42-V69 HydrophobicContact CD1-CG1 3.5Å; L42-V69 VanDerWaalsContact CD1-CG1 3.5Å; A45-V69 HydrophobicContact CB-CG1 4.16Å; Q46-V69 WeakPolarHBondContact O-CA 3.49Å; I47-V69 HydrophobicContact CG1-CG1 3.9Å; I47-V69 HydrophobicContact CG1-CG2 4.19Å; R67-V69 HydrophobicContact CB-CG2 4.38Å; V69-V79 CarbonylContact O-C 3.6Å; V69-V79 WeakPolarHBondContact O-CA 3.5Å; V69-I80 PolarHBondContact N-O 2.89Å; V69-I80 PolarHBondContact O-N 3.03Å
70F98.7Very high90.8Very high0 Ų035.3 Ų35.30%022%0.222CC..EExtended strand (participates in β ladder)trans-87.7151.4171.5-66.6-103000109.7L17 T21 H23 P25 A45 Q46 F48 L68 C78 V79 L106L17-F70 HydrophobicContact CB-CZ 4.43Å; L17-F70 HydrophobicContact CD1-CZ 4.43Å; L17-F70 HydrophobicContact CD2-CE2 3.99Å; L17-F70 HydrophobicContact CD2-CZ 4.09Å; T21-F70 HydrophobicContact CG2-CD1 4.06Å; T21-F70 HydrophobicContact CG2-CE1 4.01Å; T21-F70 HydrophobicContact CG2-CG 4.37Å; T21-F70 HydrophobicContact CG2-CZ 4.3Å; H23-F70 HydrophobicContact CB-CB 4Å; H23-F70 HydrophobicContact CB-CD1 4Å; H23-F70 HydrophobicContact CB-CG 4.41Å; P25-F70 HydrophobicContact CG-CD1 4.22Å; P25-F70 HydrophobicContact CG-CE1 3.95Å; A45-F70 CarbonylContact C-O 3.59Å; A45-F70 VanDerWaalsContact CA-O 3.23Å; A45-F70 WeakPolarHBondContact CA-O 3.47Å; Q46-F70 HydrophobicContact CB-CB 4.41Å; Q46-F70 PolarHBondContact N-O 3.12Å; Q46-F70 PolarHBondContact O-N 3.46Å; F48-F70 AromaticContact CD2-CD2 3.69Å; F48-F70 HydrophobicContact CD2-CD2 3.69Å; F48-F70 AromaticContact CD2-CE2 3.74Å; F48-F70 HydrophobicContact CD2-CE2 3.74Å; F48-F70 AromaticContact CE2-CD2 3.64Å; F48-F70 HydrophobicContact CE2-CD2 3.64Å; F48-F70 AromaticContact CE2-CE2 3.81Å; F48-F70 HydrophobicContact CE2-CE2 3.81Å; L68-F70 HydrophobicContact CD2-CE2 3.71Å; L68-F70 HydrophobicContact CD2-CZ 3.98Å; L68-F70 HydrophobicContact CG-CE2 3.96Å; F70-C78 WeakPolarHBondContact CA-O 3.33Å; F70-V79 HydrophobicContact CD1-CB 3.99Å; F70-V79 HydrophobicContact CD1-CG2 4.02Å; F70-V79 HydrophobicContact CD2-CG2 4.16Å; F70-V79 HydrophobicContact CE1-CB 3.92Å; F70-V79 HydrophobicContact CE1-CG2 3.72Å; F70-V79 HydrophobicContact CE2-CG2 3.86Å; F70-V79 HydrophobicContact CG-CB 4.49Å; F70-V79 HydrophobicContact CG-CG2 4.24Å; F70-V79 HydrophobicContact CZ-CB 4.35Å; F70-V79 HydrophobicContact CZ-CG2 3.63Å; F70-L106 HydrophobicContact CE1-CD1 4.06Å; F70-L106 HydrophobicContact CZ-CD1 4.02Å
71G97.6Very high91.3Very high0 Ų031 Ų310%020%0.196CC..EExtended strand (participates in β ladder)trans166.8-160.9173.200000111.4T43 C78T43-G71 WeakPolarHBondContact O-CA 2.97Å; G71-C78 PolarHBondContact N-O 3.22Å; G71-C78 VanDerWaalsContact N-O 3.07Å; G71-C78 PolarHBondContact O-N 2.87Å
72F95.3Very high91.9Very high59 Ų5931.3 Ų31.326%0.25920%0.196SC..EExtended strand (participates in β ladder)trans-115.1133173.5-61.2-90000111.3H23 L42 T43 E44 K76 A77H23-F72 AromaticContact CE1-CE2 3.69Å; H23-F72 AromaticContact ND1-CE2 3.65Å; L42-F72 WeakPolarHBondContact CA-O 3.43Å; T43-F72 PolarHBondContact N-O 3.15Å; T43-F72 PolarHBondContact O-N 3.2Å; T43-F72 WeakPolarHBondContact OG1-CB 3.49Å; T43-F72 PolarHBondContact OG1-O 3.24Å; E44-F72 HydrophobicContact CB-CD2 4.13Å; E44-F72 HydrophobicContact CB-CE2 4.39Å; E44-F72 HydrophobicContact CG-CD2 4.44Å; F72-K76 CarbonylContact C-O 3.6Å; F72-K76 VanDerWaalsContact CA-O 3.24Å; F72-K76 WeakPolarHBondContact CA-O 3.49Å; F72-A77 HydrophobicContact CD1-CB 4.07Å; F72-A77 HydrophobicContact CE1-CB 3.83Å
73L92.1Very high92.7Very high6 Ų627 Ų273%0.03117%0.169CC..EExtended strand (participates in β ladder)trans-119.1113.4173.9-164.958.4000108.6I29 L38 K41 L42 G75 K76 C78 I80 V275 M279I29-L73 HydrophobicContact CD1-CD2 3.77Å; L38-L73 HydrophobicContact CD1-CD2 4.3Å; L38-L73 HydrophobicContact CG-CD2 4.4Å; K41-L73 HydrophobicContact CB-CD1 3.76Å; L42-L73 HydrophobicContact CD2-CB 3.83Å; L42-L73 HydrophobicContact CD2-CD1 4.45Å; L73-G75 PolarHBondContact O-N 3.39Å; L73-K76 PolarHBondContact N-O 3.38Å; L73-K76 WeakPolarHBondContact O-CB 3.34Å; L73-K76 PolarHBondContact O-N 3.29Å; L73-C78 HydrophobicContact CB-CB 4.47Å; L73-I80 HydrophobicContact CD2-CD1 4.48Å; L73-V275 HydrophobicContact CD2-CG1 3.32Å; L73-V275 HydrophobicContact CG-CG1 4.19Å; L73-M279 HydrophobicContact CB-CG 4.29Å; L73-M279 HydrophobicContact CB-SD 4.19Å; L73-M279 HydrophobicContact CD2-CG 4.18Å; L73-M279 HydrophobicContact CD2-SD 4.25Å; L73-M279 HydrophobicContact CG-CG 4.07Å; L73-M279 HydrophobicContact CG-SD 4.43Å
74N89.4Confident93.9Very high102 Ų10224.5 Ų24.555%0.54514%0.142SC..THydrogen-bonded Turntrans47.744.1-173.5-72.1-1.3000113.4K76 S276 M279N74-K76 VanDerWaalsContact C-N 3.25Å; N74-K76 PolarHBondContact O-N 3.42Å; N74-S276 WeakPolarHBondContact ND2-CA 3.43Å; N74-S276 VanDerWaalsContact ND2-CB 3.3Å; N74-S276 WeakPolarHBondContact ND2-CB 3.32Å; N74-S276 PolarHBondContact ND2-OG 2.8Å; N74-M279 HydrophobicContact CB-CB 4.02Å; N74-M279 HydrophobicContact CB-CG 4.41Å
75G89.6Confident94.7Very high66 Ų6623.9 Ų23.968%0.6814%0.14SC*.THydrogen-bonded Turntrans77.2-0.5179.200000115.5L73L73-G75 PolarHBondContact O-N 3.39Å
76K92.9Very high95.2Very high40 Ų4020.7 Ų20.717%0.17412%0.119CC..EExtended strand (participates in β ladder)trans-93.6132.2172.6-65-66-167.1163.20110.3F72 L73 N74 C78 M279 I282F72-K76 CarbonylContact C-O 3.6Å; F72-K76 VanDerWaalsContact CA-O 3.24Å; F72-K76 WeakPolarHBondContact CA-O 3.49Å; L73-K76 PolarHBondContact N-O 3.38Å; L73-K76 WeakPolarHBondContact O-CB 3.34Å; L73-K76 PolarHBondContact O-N 3.29Å; N74-K76 VanDerWaalsContact C-N 3.25Å; N74-K76 PolarHBondContact O-N 3.42Å; K76-C78 PolarHBondContact O-N 2.98Å; K76-C78 PolarHBondContact O-SG 3.32Å; K76-C78 VanDerWaalsContact O-SG 3.42Å; K76-M279 HydrophobicContact CB-SD 3.88Å; K76-M279 WeakPolarHBondContact CE-O 3.47Å; K76-M279 HydrophobicContact CG-CB 4.18Å; K76-M279 HydrophobicContact CG-SD 4.2Å; K76-I282 PolarHBondContact NZ-O 3.14Å
77A96Very high95.4Very high19 Ų1921.7 Ų21.716%0.15712%0.122CC..EExtended strand (participates in β ladder)trans-70.2120.9173.700000109.5R24 P25 Q26 V27 F72R24-A77 WeakPolarHBondContact O-CB 3.5Å; P25-A77 WeakPolarHBondContact CA-O 3.42Å; Q26-A77 PolarHBondContact N-O 3.06Å; V27-A77 PolarHBondContact N-O 2.87Å; F72-A77 HydrophobicContact CD1-CB 4.07Å; F72-A77 HydrophobicContact CE1-CB 3.83Å
78C96.8Very high95.5Very high0 Ų020.6 Ų20.60%012%0.118CC..EExtended strand (participates in β ladder)trans-124.3153.4-173.4-670000112V27 L42 F70 G71 L73 K76 I80 M279V27-C78 CarbonylContact O-C 3.51Å; V27-C78 VanDerWaalsContact O-CA 3.23Å; V27-C78 WeakPolarHBondContact O-CA 3.18Å; L42-C78 HydrophobicContact CD2-CB 4.14Å; F70-C78 WeakPolarHBondContact CA-O 3.33Å; G71-C78 PolarHBondContact N-O 3.22Å; G71-C78 VanDerWaalsContact N-O 3.07Å; G71-C78 PolarHBondContact O-N 2.87Å; L73-C78 HydrophobicContact CB-CB 4.47Å; K76-C78 PolarHBondContact O-N 2.98Å; K76-C78 PolarHBondContact O-SG 3.32Å; K76-C78 VanDerWaalsContact O-SG 3.42Å; C78-I80 HydrophobicContact CB-CG1 4.44Å; C78-M279 VanDerWaalsContact SG-SD 3.7Å
79V98.4Very high95.4Very high0 Ų022.1 Ų22.10%013%0.125CC..EExtended strand (participates in β ladder)trans-124125.3160.860.90000108.2P25 V27 A28 I29 L68 V69 F70 F103 V108P25-V79 HydrophobicContact CB-CB 3.84Å; P25-V79 HydrophobicContact CB-CG1 3.78Å; P25-V79 HydrophobicContact CG-CB 3.93Å; P25-V79 HydrophobicContact CG-CG1 3.79Å; V27-V79 PolarHBondContact O-N 2.86Å; A28-V79 CarbonylContact C-O 3.58Å; A28-V79 VanDerWaalsContact CA-O 3.25Å; A28-V79 WeakPolarHBondContact CA-O 3.42Å; A28-V79 HydrophobicContact CB-CG1 3.81Å; I29-V79 PolarHBondContact N-O 3.12Å; L68-V79 HydrophobicContact CD1-CG2 3.66Å; L68-V79 HydrophobicContact CD2-CG2 3.96Å; L68-V79 HydrophobicContact CG-CG2 3.6Å; V69-V79 CarbonylContact O-C 3.6Å; V69-V79 WeakPolarHBondContact O-CA 3.5Å; F70-V79 HydrophobicContact CD1-CB 3.99Å; F70-V79 HydrophobicContact CD1-CG2 4.02Å; F70-V79 HydrophobicContact CD2-CG2 4.16Å; F70-V79 HydrophobicContact CE1-CB 3.92Å; F70-V79 HydrophobicContact CE1-CG2 3.72Å; F70-V79 HydrophobicContact CE2-CG2 3.86Å; F70-V79 HydrophobicContact CG-CB 4.49Å; F70-V79 HydrophobicContact CG-CG2 4.24Å; F70-V79 HydrophobicContact CZ-CB 4.35Å; F70-V79 HydrophobicContact CZ-CG2 3.63Å; V79-F103 HydrophobicContact CG1-CD1 3.87Å; V79-F103 HydrophobicContact CG1-CE1 4.09Å; V79-F103 HydrophobicContact CG1-CG 4.43Å; V79-F103 HydrophobicContact CG2-CE1 4.12Å; V79-V108 HydrophobicContact CG1-CG2 4.07Å
80I97.1Very high95.3Very high0 Ų025.3 Ų25.30%016%0.159CC..EExtended strand (participates in β ladder)trans-116.4125-175.2-54.2-169.9000109.6I29 C31 L38 T39 L42 L68 V69 L73 C78 Q82I29-I80 HydrophobicContact CB-CG1 4.08Å; I29-I80 HydrophobicContact CB-CG2 4.34Å; I29-I80 HydrophobicContact CD1-CD1 4.05Å; I29-I80 HydrophobicContact CD1-CG1 4.22Å; I29-I80 HydrophobicContact CG1-CG1 4.35Å; I29-I80 CarbonylContact O-C 3.55Å; I29-I80 VanDerWaalsContact O-CA 3.29Å; I29-I80 WeakPolarHBondContact O-CA 3.27Å; C31-I80 VanDerWaalsContact SG-CG2 3.51Å; L38-I80 HydrophobicContact CD2-CD1 4.33Å; L38-I80 HydrophobicContact CG-CD1 4.26Å; T39-I80 HydrophobicContact CG2-CB 4.06Å; T39-I80 HydrophobicContact CG2-CD1 4.45Å; T39-I80 HydrophobicContact CG2-CG2 3.71Å; L42-I80 HydrophobicContact CD1-CD1 3.72Å; L42-I80 HydrophobicContact CD1-CG1 4Å; L42-I80 HydrophobicContact CD2-CD1 4.03Å; L42-I80 HydrophobicContact CG-CD1 3.94Å; L68-I80 WeakPolarHBondContact CA-O 3.38Å; V69-I80 PolarHBondContact N-O 2.89Å; V69-I80 PolarHBondContact O-N 3.03Å; L73-I80 HydrophobicContact CD2-CD1 4.48Å; C78-I80 HydrophobicContact CB-CG1 4.44Å; I80-Q82 PolarHBondContact O-N 3.28Å
81M97.5Very high95.2Very high2 Ų227.5 Ų27.51%0.0117%0.167CC..EExtended strand (participates in β ladder)trans-80.8107.5164.6-74.5-176.670.900109.6I29 I30 C31 Y50 L68 G83 F85 P99 F103I29-M81 PolarHBondContact O-N 3.42Å; I30-M81 HydrophobicContact CD1-SD 4.06Å; I30-M81 HydrophobicContact CG1-CB 4.42Å; I30-M81 HydrophobicContact CG1-CG 4.48Å; I30-M81 HydrophobicContact CG1-SD 3.93Å; I30-M81 HydrophobicContact CG2-CB 4.2Å; I30-M81 HydrophobicContact CG2-SD 4.3Å; C31-M81 WeakPolarHBondContact CB-O 3.41Å; C31-M81 PolarHBondContact N-O 2.9Å; Y50-M81 WeakPolarHBondContact OH-CA 3.45Å; Y50-M81 VanDerWaalsContact OH-CB 3.28Å; Y50-M81 WeakPolarHBondContact OH-CB 3.5Å; Y50-M81 WeakPolarHBondContact OH-CE 3.33Å; L68-M81 HydrophobicContact CD1-CG 3.62Å; M81-G83 VanDerWaalsContact C-N 3.32Å; M81-G83 PolarHBondContact O-N 3.45Å; M81-G83 VanDerWaalsContact O-N 3.12Å; M81-F85 HydrophobicContact CE-CD2 4.26Å; M81-F85 HydrophobicContact CE-CE2 3.76Å; M81-F85 HydrophobicContact CE-CZ 4.17Å; M81-P99 HydrophobicContact CE-CB 4Å; M81-P99 HydrophobicContact CE-CG 3.58Å; M81-P99 HydrophobicContact SD-CB 3.45Å; M81-P99 WeakPolarHBondContact SD-CB 3.27Å; M81-P99 HydrophobicContact SD-CG 3.76Å; M81-F103 HydrophobicContact CG-CE2 4.08Å; M81-F103 HydrophobicContact CG-CZ 3.53Å; M81-F103 HydrophobicContact SD-CE2 3.71Å; M81-F103 HydrophobicContact SD-CZ 3.58Å; M81-F103 VanDerWaalsContact SD-CZ 3.58Å
82Q93.6Very high95.2Very high24 Ų2429.3 Ų29.311%0.11218%0.18CC..EExtended strand (participates in β ladder)trans-86.578.3174.8-158.3-175.828.800109.9G36 T39 V65 G66 R67 I80G36-Q82 PolarHBondContact O-NE2 2.66Å; T39-Q82 HydrophobicContact CG2-CB 3.98Å; T39-Q82 HydrophobicContact CG2-CG 3.96Å; T39-Q82 PolarHBondContact OG1-NE2 3.4Å; V65-Q82 HydrophobicContact CB-CG 4.28Å; V65-Q82 HydrophobicContact CG2-CG 4.15Å; V65-Q82 PolarHBondContact N-O 2.93Å; G66-Q82 PolarHBondContact N-O 3.2Å; R67-Q82 HydrophobicContact CB-CB 4.32Å; R67-Q82 PolarHBondContact O-N 3.03Å; I80-Q82 PolarHBondContact O-N 3.28Å
83G89.9Confident95.3Very high3 Ų326.8 Ų26.83%0.03117%0.169CC..SBendtrans107.7127.5-171.400000111Y50 H64 M81Y50-G83 WeakPolarHBondContact CE2-O 3.46Å; Y50-G83 PolarHBondContact OH-O 2.8Å; H64-G83 VanDerWaalsContact ND1-CA 3.31Å; H64-G83 WeakPolarHBondContact ND1-CA 3.41Å; M81-G83 VanDerWaalsContact C-N 3.32Å; M81-G83 PolarHBondContact O-N 3.45Å; M81-G83 VanDerWaalsContact O-N 3.12Å
84R95Very high95.6Very high1 Ų129.4 Ų29.40%0.00418%0.179CC..  trans-100-175.9174.565.7157.255.676.39.5113I30 S59 H64 H86 T114 E224I30-R84 HydrophobicContact CG2-CB 3.68Å; I30-R84 VanDerWaalsContact CG2-NH2 3.25Å; I30-R84 PolarHBondContact O-NH2 3.29Å; S59-R84 PolarHBondContact OG-O 3.02Å; H64-R84 PolarHBondContact CE1-N 2.84Å; H64-R84 PolarHBondContact ND1-N 2.82Å; H64-R84 PolarHBondContact ND1-O 2.98Å; R84-H86 WeakPolarHBondContact CD-NE2 3.48Å; R84-T114 PolarHBondContact NH1-O 3.12Å; R84-T114 PolarHBondContact NH2-O 3.2Å; R84-E224 WeakPolarHBondContact CD-OE1 3.14Å; R84-E224 IonicContact CZ-OE1 2.96Å; R84-E224 IonicContact CZ-OE2 3.06Å; R84-E224 IonicContact NE-OE1 3.03Å; R84-E224 PolarHBondContact NE-OE1 2.86Å; R84-E224 IonicContact NE-OE2 2.87Å; R84-E224 PolarHBondContact NE-OE2 2.96Å; R84-E224 IonicContact NH2-OE2 3.26Å; R84-E224 PolarHBondContact NH2-OE2 3.03Å
85F96.6Very high96Very high1 Ų128 Ų280%0.00417%0.168CC..  trans-112.8153.7174.2-44-57.3000110.4Y50 F56 P57 M81 E89 Y91 V96 P99Y50-F85 AromaticContact CD2-CE1 3.68Å; Y50-F85 HydrophobicContact CD2-CE1 3.68Å; Y50-F85 AromaticContact CD2-CZ 3.64Å; Y50-F85 HydrophobicContact CD2-CZ 3.64Å; Y50-F85 AromaticContact CE2-CE1 3.69Å; Y50-F85 HydrophobicContact CE2-CE1 3.69Å; Y50-F85 AromaticContact CE2-CZ 3.61Å; Y50-F85 HydrophobicContact CE2-CZ 3.61Å; Y50-F85 HydrophobicContact CG-CZ 4.41Å; F56-F85 HydrophobicContact CD1-CZ 4.13Å; F56-F85 HydrophobicContact CE1-CE2 4.43Å; F56-F85 HydrophobicContact CE1-CZ 4.26Å; P57-F85 HydrophobicContact CB-CD1 4.07Å; P57-F85 HydrophobicContact CB-CD2 3.99Å; P57-F85 HydrophobicContact CB-CE1 3.86Å; P57-F85 HydrophobicContact CB-CE2 3.74Å; P57-F85 HydrophobicContact CB-CG 4.15Å; P57-F85 HydrophobicContact CB-CZ 3.69Å; P57-F85 HydrophobicContact CG-CD2 3.92Å; P57-F85 HydrophobicContact CG-CE2 3.61Å; P57-F85 HydrophobicContact CG-CZ 4.02Å; P57-F85 WeakPolarHBondContact O-CE1 3.46Å; P57-F85 WeakPolarHBondContact O-CZ 3.39Å; M81-F85 HydrophobicContact CE-CD2 4.26Å; M81-F85 HydrophobicContact CE-CE2 3.76Å; M81-F85 HydrophobicContact CE-CZ 4.17Å; F85-E89 VanDerWaalsContact CA-OE2 3.29Å; F85-E89 WeakPolarHBondContact CA-OE2 3.4Å; F85-Y91 HydrophobicContact CB-CD2 4.03Å; F85-Y91 HydrophobicContact CB-CE2 4.45Å; F85-Y91 HydrophobicContact CD1-CE2 4.37Å; F85-V96 HydrophobicContact CB-CB 4.45Å; F85-V96 HydrophobicContact CB-CG1 4.47Å; F85-V96 HydrophobicContact CB-CG2 4.2Å; F85-V96 WeakPolarHBondContact O-CG1 3.29Å; F85-P99 HydrophobicContact CD2-CG 4.3Å; F85-P99 HydrophobicContact CE2-CG 3.63Å
86H97.6Very high96.4Very high8 Ų825.1 Ų25.14%0.03714%0.137CC..  trans-135.8156.9-176.3-49.184000111.6H64 R84 Y88 E89H64-H86 AromaticContact CE1-CE1 3.28Å; H64-H86 PolarHBondContact CE1-CE1 2.94Å; H64-H86 AromaticContact CE1-NE2 3.91Å; H64-H86 AromaticContact ND1-CE1 3.85Å; H64-H86 AromaticContact NE2-CE1 3.82Å; R84-H86 WeakPolarHBondContact CD-NE2 3.48Å; H86-Y88 VanDerWaalsContact C-N 3.32Å; H86-Y88 HydrophobicContact CB-CD1 3.66Å; H86-Y88 HydrophobicContact CB-CD2 4.24Å; H86-Y88 HydrophobicContact CB-CE1 3.33Å; H86-Y88 HydrophobicContact CB-CE2 3.96Å; H86-Y88 HydrophobicContact CB-CG 4.1Å; H86-Y88 VanDerWaalsContact CB-CZ 3.5Å; H86-Y88 AromaticContact CD2-CE1 3.61Å; H86-Y88 AromaticContact CD2-CZ 3.74Å; H86-Y88 PolarHBondContact CD2-OH 3.36Å; H86-Y88 PolarHBondContact CE1-OH 3.05Å; H86-Y88 VanDerWaalsContact CE1-OH 3.28Å; H86-Y88 AromaticContact CG-CE1 3.48Å; H86-Y88 VanDerWaalsContact CG-CE1 3.48Å; H86-Y88 AromaticContact CG-CZ 3.39Å; H86-Y88 AromaticContact ND1-CZ 3.68Å; H86-Y88 PolarHBondContact ND1-OH 2.79Å; H86-Y88 PolarHBondContact NE2-OH 3.03Å; H86-Y88 PolarHBondContact O-N 3.37Å; H86-E89 HydrophobicContact CB-CG 4.37Å; H86-E89 IonicContact CE1-OE2 3.71Å; H86-E89 IonicContact CG-OE2 3.06Å; H86-E89 PolarHBondContact N-OE2 2.97Å; H86-E89 IonicContact ND1-OE2 3.29Å; H86-E89 PolarHBondContact ND1-OE2 3.34Å; H86-E89 WeakPolarHBondContact O-CB 3.28Å; H86-E89 PolarHBondContact O-N 3.3Å
87M97.4Very high96.6Very high31 Ų3123.3 Ų23.315%0.15313%0.129CC..G310 helixtrans-62.1-39.9175.7-70.1179.769.200112.3E89 G90 L93 P139 Q144 M194 A196M87-E89 PolarHBondContact O-N 3.35Å; M87-G90 PolarHBondContact O-N 3.13Å; M87-L93 HydrophobicContact CE-CD1 4.47Å; M87-L93 HydrophobicContact CE-CG 4.39Å; M87-L93 HydrophobicContact CG-CD2 3.32Å; M87-L93 HydrophobicContact CG-CG 4.08Å; M87-L93 HydrophobicContact SD-CD1 4.15Å; M87-L93 HydrophobicContact SD-CD2 3.57Å; M87-L93 VanDerWaalsContact SD-CD2 3.57Å; M87-L93 HydrophobicContact SD-CG 4.03Å; M87-P139 HydrophobicContact CE-CB 4.28Å; M87-P139 HydrophobicContact SD-CB 4.13Å; M87-P139 HydrophobicContact SD-CG 4.25Å; M87-Q144 HydrophobicContact CE-CB 3.87Å; M87-Q144 HydrophobicContact CE-CG 3.92Å; M87-M194 HydrophobicContact CG-CE 4.1Å; M87-M194 HydrophobicContact SD-CE 3.51Å; M87-M194 VanDerWaalsContact SD-CE 3.51Å; M87-A196 HydrophobicContact CE-CB 4.23Å; M87-A196 HydrophobicContact SD-CB 4.34Å
88Y96.9Very high96.8Very high67 Ų6722.4 Ų22.426%0.26312%0.122SC..G310 helixtrans-67.6-13.9-178.661.6-107.9000113.9V61 H86 G90 A196 P198 M219V61-Y88 HydrophobicContact CG2-CE2 3.56Å; H86-Y88 VanDerWaalsContact C-N 3.32Å; H86-Y88 HydrophobicContact CB-CD1 3.66Å; H86-Y88 HydrophobicContact CB-CD2 4.24Å; H86-Y88 HydrophobicContact CB-CE1 3.33Å; H86-Y88 HydrophobicContact CB-CE2 3.96Å; H86-Y88 HydrophobicContact CB-CG 4.1Å; H86-Y88 VanDerWaalsContact CB-CZ 3.5Å; H86-Y88 AromaticContact CD2-CE1 3.61Å; H86-Y88 AromaticContact CD2-CZ 3.74Å; H86-Y88 PolarHBondContact CD2-OH 3.36Å; H86-Y88 PolarHBondContact CE1-OH 3.05Å; H86-Y88 VanDerWaalsContact CE1-OH 3.28Å; H86-Y88 AromaticContact CG-CE1 3.48Å; H86-Y88 VanDerWaalsContact CG-CE1 3.48Å; H86-Y88 AromaticContact CG-CZ 3.39Å; H86-Y88 AromaticContact ND1-CZ 3.68Å; H86-Y88 PolarHBondContact ND1-OH 2.79Å; H86-Y88 PolarHBondContact NE2-OH 3.03Å; H86-Y88 PolarHBondContact O-N 3.37Å; Y88-G90 PolarHBondContact O-N 2.83Å; Y88-A196 WeakPolarHBondContact CB-O 3.36Å; Y88-A196 WeakPolarHBondContact CD1-O 3.44Å; Y88-P198 HydrophobicContact CD2-CB 4.33Å; Y88-P198 HydrophobicContact CG-CB 4.1Å; Y88-M219 HydrophobicContact CD1-CB 3.99Å; Y88-M219 HydrophobicContact CD1-SD 3.98Å; Y88-M219 HydrophobicContact CE1-CB 3.77Å; Y88-M219 HydrophobicContact CE1-SD 3.99Å
89E96.3Very high96.9Very high33 Ų3322.4 Ų22.415%0.15412%0.122CC..G310 helixtrans-73.6-3.3169.5-67173.690.300111.9T60 V61 F85 H86 M87 Y91T60-E89 PolarHBondContact N-OE1 2.93Å; T60-E89 PolarHBondContact OG1-OE1 2.96Å; V61-E89 VanDerWaalsContact CG2-CD 3.42Å; V61-E89 HydrophobicContact CG2-CG 3.53Å; F85-E89 VanDerWaalsContact CA-OE2 3.29Å; F85-E89 WeakPolarHBondContact CA-OE2 3.4Å; H86-E89 HydrophobicContact CB-CG 4.37Å; H86-E89 IonicContact CE1-OE2 3.71Å; H86-E89 IonicContact CG-OE2 3.06Å; H86-E89 PolarHBondContact N-OE2 2.97Å; H86-E89 IonicContact ND1-OE2 3.29Å; H86-E89 PolarHBondContact ND1-OE2 3.34Å; H86-E89 WeakPolarHBondContact O-CB 3.28Å; H86-E89 PolarHBondContact O-N 3.3Å; M87-E89 PolarHBondContact O-N 3.35Å; E89-Y91 HydrophobicContact CB-CD2 3.67Å; E89-Y91 HydrophobicContact CB-CE2 3.86Å
90G96.3Very high96.9Very high70 Ų7022.5 Ų22.572%0.72212%0.122SC*.THydrogen-bonded Turntrans88.85.2-175.900000113.5M87 Y88M87-G90 PolarHBondContact O-N 3.13Å; Y88-G90 PolarHBondContact O-N 2.83Å
91Y97.4Very high97Very high46 Ų4622.7 Ų22.718%0.1812%0.123CC..  trans-75.8135.9178.1-68-52.9000112.2Q58 F85 E89 K95Q58-Y91 WeakPolarHBondContact O-CE2 3.13Å; Q58-Y91 VanDerWaalsContact O-CZ 3.26Å; Q58-Y91 PolarHBondContact O-OH 2.87Å; F85-Y91 HydrophobicContact CB-CD2 4.03Å; F85-Y91 HydrophobicContact CB-CE2 4.45Å; F85-Y91 HydrophobicContact CD1-CE2 4.37Å; E89-Y91 HydrophobicContact CB-CD2 3.67Å; E89-Y91 HydrophobicContact CB-CE2 3.86Å; Y91-K95 HydrophobicContact CD1-CB 4.32Å; Y91-K95 HydrophobicContact CD1-CD 3.87Å; Y91-K95 HydrophobicContact CE1-CD 4.39Å
92S97.1Very high97Very high37 Ų3722.6 Ų22.626%0.25912%0.123SC..  trans-63149.816254.20000110.6W94 K95 V96S92-W94 VanDerWaalsContact C-N 3.25Å; S92-W94 VanDerWaalsContact CB-CE2 3.45Å; S92-W94 PolarHBondContact O-N 2.78Å; S92-W94 WeakPolarHBondContact OG-CZ2 3.37Å; S92-W94 PolarHBondContact OG-NE1 3.09Å; S92-K95 WeakPolarHBondContact O-CA 3.39Å; S92-K95 WeakPolarHBondContact O-CB 3.34Å; S92-K95 PolarHBondContact O-N 3.06Å; S92-K95 WeakPolarHBondContact OG-CG 3.49Å; S92-V96 PolarHBondContact O-N 2.88Å
93L97.9Very high97.3Very high7 Ų721.5 Ų21.54%0.03712%0.117CC..Hα-helixtrans-62.6-31.5-177.4-75.2-178.3000113.5M87 K95 V96 T97 Q144 P146 P223M87-L93 HydrophobicContact CE-CD1 4.47Å; M87-L93 HydrophobicContact CE-CG 4.39Å; M87-L93 HydrophobicContact CG-CD2 3.32Å; M87-L93 HydrophobicContact CG-CG 4.08Å; M87-L93 HydrophobicContact SD-CD1 4.15Å; M87-L93 HydrophobicContact SD-CD2 3.57Å; M87-L93 VanDerWaalsContact SD-CD2 3.57Å; M87-L93 HydrophobicContact SD-CG 4.03Å; L93-K95 VanDerWaalsContact C-N 3.27Å; L93-K95 PolarHBondContact O-N 2.92Å; L93-V96 HydrophobicContact CD2-CB 4.34Å; L93-V96 HydrophobicContact CD2-CG2 4.37Å; L93-V96 PolarHBondContact O-N 2.84Å; L93-T97 WeakPolarHBondContact O-CG2 3.41Å; L93-T97 PolarHBondContact O-N 3.47Å; L93-T97 PolarHBondContact O-OG1 2.86Å; L93-Q144 HydrophobicContact CD1-CB 3.99Å; L93-Q144 WeakPolarHBondContact CD1-O 3.43Å; L93-P146 HydrophobicContact CB-CB 4.09Å; L93-P223 HydrophobicContact CD2-CB 3.78Å; L93-P223 HydrophobicContact CD2-CG 3.54Å
94W97Very high97.7Very high60 Ų6024.1 Ų24.123%0.22713%0.129CC..Hα-helixtrans-66.8-25.8174.153.6-101.2000113.4N3 Y5 S92 F98N3-W94 VanDerWaalsContact CB-CD1 3.44Å; N3-W94 HydrophobicContact CB-CG 4.17Å; N3-W94 PolarHBondContact O-NE1 3.25Å; Y5-W94 AromaticContact CD2-CE3 3.4Å; Y5-W94 HydrophobicContact CD2-CE3 3.4Å; Y5-W94 AromaticContact CD2-CZ3 3.65Å; Y5-W94 HydrophobicContact CD2-CZ3 3.65Å; Y5-W94 AromaticContact CE2-CE3 3.43Å; Y5-W94 HydrophobicContact CE2-CE3 3.43Å; Y5-W94 VanDerWaalsContact CE2-CE3 3.43Å; Y5-W94 AromaticContact CE2-CZ3 3.41Å; Y5-W94 HydrophobicContact CE2-CZ3 3.41Å; Y5-W94 VanDerWaalsContact CE2-CZ3 3.41Å; Y5-W94 HydrophobicContact CG-CE3 4.4Å; Y5-W94 HydrophobicContact CG-CZ3 4.41Å; S92-W94 VanDerWaalsContact C-N 3.25Å; S92-W94 VanDerWaalsContact CB-CE2 3.45Å; S92-W94 PolarHBondContact O-N 2.78Å; S92-W94 WeakPolarHBondContact OG-CZ2 3.37Å; S92-W94 PolarHBondContact OG-NE1 3.09Å; W94-F98 PolarHBondContact O-N 2.86Å
95K97.8Very high97.9Very high73 Ų7326 Ų2632%0.31714%0.139SC..Hα-helixtrans-75.3-47.2167.1-75.4-166.6173.8-175.80110.9Y5 P57 Y91 S92 L93 T97 F98Y5-K95 HydrophobicContact CE2-CG 3.98Å; P57-K95 HydrophobicContact CG-CB 4.24Å; P57-K95 WeakPolarHBondContact CG-O 3.19Å; Y91-K95 HydrophobicContact CD1-CB 4.32Å; Y91-K95 HydrophobicContact CD1-CD 3.87Å; Y91-K95 HydrophobicContact CE1-CD 4.39Å; S92-K95 WeakPolarHBondContact O-CA 3.39Å; S92-K95 WeakPolarHBondContact O-CB 3.34Å; S92-K95 PolarHBondContact O-N 3.06Å; S92-K95 WeakPolarHBondContact OG-CG 3.49Å; L93-K95 VanDerWaalsContact C-N 3.27Å; L93-K95 PolarHBondContact O-N 2.92Å; K95-T97 PolarHBondContact O-N 3.49Å; K95-F98 VanDerWaalsContact O-CB 3.26Å; K95-F98 WeakPolarHBondContact O-CB 3.34Å; K95-F98 PolarHBondContact O-N 2.84Å
96V98.3Very high98Very high6 Ų626.4 Ų26.44%0.03614%0.141CC..Hα-helixtrans-52.9-43178.9170.80000111.1F85 S92 L93F85-V96 HydrophobicContact CB-CB 4.45Å; F85-V96 HydrophobicContact CB-CG1 4.47Å; F85-V96 HydrophobicContact CB-CG2 4.2Å; F85-V96 WeakPolarHBondContact O-CG1 3.29Å; S92-V96 PolarHBondContact O-N 2.88Å; L93-V96 HydrophobicContact CD2-CB 4.34Å; L93-V96 HydrophobicContact CD2-CG2 4.37Å; L93-V96 PolarHBondContact O-N 2.84Å
97T98.6Very high98Very high1 Ų128.6 Ų28.61%0.00617%0.166CC..THydrogen-bonded Turntrans-94.45.2-176.663.30000113.9L93 K95 P99 V100 P146 P223 V227L93-T97 WeakPolarHBondContact O-CG2 3.41Å; L93-T97 PolarHBondContact O-N 3.47Å; L93-T97 PolarHBondContact O-OG1 2.86Å; K95-T97 PolarHBondContact O-N 3.49Å; T97-P99 VanDerWaalsContact C-CD 3.43Å; T97-P99 VanDerWaalsContact C-N 3.34Å; T97-V100 PolarHBondContact O-N 2.79Å; T97-V100 VanDerWaalsContact O-N 3.15Å; T97-P146 HydrophobicContact CG2-CB 3.85Å; T97-P146 HydrophobicContact CG2-CG 4.27Å; T97-P223 HydrophobicContact CG2-CB 3.47Å; T97-P223 VanDerWaalsContact CG2-CB 3.47Å; T97-P223 VanDerWaalsContact CG2-O 3.26Å; T97-P223 WeakPolarHBondContact CG2-O 3.44Å; T97-V227 HydrophobicContact CG2-CB 4.49Å; T97-V227 HydrophobicContact CG2-CG2 3.86Å
98F98.7Very high98.1Very high0 Ų027.4 Ų27.40%016%0.16CC..Hα-helixtrans-52.3-46.6-179.1175.7-93.3000112.9Y5 Y10 T13 N55 F56 P57 W94 K95 V100 R101 V102Y5-F98 HydrophobicContact CD1-CD2 4.08Å; Y5-F98 AromaticContact CD1-CE2 3.87Å; Y5-F98 HydrophobicContact CD1-CE2 3.87Å; Y5-F98 HydrophobicContact CD2-CB 4.47Å; Y5-F98 AromaticContact CD2-CD2 3.38Å; Y5-F98 HydrophobicContact CD2-CD2 3.38Å; Y5-F98 HydrophobicContact CD2-CE2 4.01Å; Y5-F98 HydrophobicContact CD2-CG 4.29Å; Y5-F98 HydrophobicContact CE1-CD2 4.08Å; Y5-F98 AromaticContact CE1-CE2 3.96Å; Y5-F98 HydrophobicContact CE1-CE2 3.96Å; Y5-F98 HydrophobicContact CE2-CB 4.01Å; Y5-F98 AromaticContact CE2-CD2 3.37Å; Y5-F98 HydrophobicContact CE2-CD2 3.37Å; Y5-F98 HydrophobicContact CE2-CE2 4.11Å; Y5-F98 AromaticContact CE2-CG 3.91Å; Y5-F98 HydrophobicContact CE2-CG 3.91Å; Y5-F98 AromaticContact CG-CD2 3.75Å; Y5-F98 HydrophobicContact CG-CD2 3.75Å; Y5-F98 AromaticContact CG-CE2 3.89Å; Y5-F98 HydrophobicContact CG-CE2 3.89Å; Y5-F98 AromaticContact CZ-CD2 3.74Å; Y10-F98 AromaticContact CD1-CD2 3.55Å; Y10-F98 HydrophobicContact CD1-CD2 3.55Å; Y10-F98 AromaticContact CD1-CE2 3.4Å; Y10-F98 HydrophobicContact CD1-CE2 3.4Å; Y10-F98 VanDerWaalsContact CD1-CE2 3.4Å; Y10-F98 HydrophobicContact CD1-CG 4.37Å; Y10-F98 HydrophobicContact CD1-CZ 4.14Å; Y10-F98 HydrophobicContact CE1-CB 4.38Å; Y10-F98 AromaticContact CE1-CD2 3.14Å; Y10-F98 HydrophobicContact CE1-CD2 3.14Å; Y10-F98 AromaticContact CE1-CE2 3.51Å; Y10-F98 HydrophobicContact CE1-CE2 3.51Å; Y10-F98 AromaticContact CE1-CG 3.96Å; Y10-F98 HydrophobicContact CE1-CG 3.96Å; Y10-F98 HydrophobicContact CG-CE2 4.17Å; Y10-F98 AromaticContact CZ-CD2 3.94Å; T13-F98 HydrophobicContact CG2-CE1 4.06Å; T13-F98 HydrophobicContact CG2-CZ 4.25Å; N55-F98 HydrophobicContact CB-CE1 4.23Å; N55-F98 HydrophobicContact CB-CE2 4.15Å; N55-F98 HydrophobicContact CB-CZ 3.63Å; F56-F98 AromaticContact CD2-CD1 4Å; F56-F98 HydrophobicContact CD2-CD1 4Å; F56-F98 AromaticContact CD2-CE1 3.71Å; F56-F98 HydrophobicContact CD2-CE1 3.71Å; F56-F98 HydrophobicContact CE2-CD1 4.27Å; F56-F98 HydrophobicContact CE2-CE1 4.18Å; P57-F98 HydrophobicContact CG-CB 4.41Å; W94-F98 PolarHBondContact O-N 2.86Å; K95-F98 VanDerWaalsContact O-CB 3.26Å; K95-F98 WeakPolarHBondContact O-CB 3.34Å; K95-F98 PolarHBondContact O-N 2.84Å; F98-V100 PolarHBondContact O-N 3.31Å; F98-R101 PolarHBondContact O-N 3.32Å; F98-V102 HydrophobicContact CD1-CG2 4.09Å; F98-V102 HydrophobicContact CE1-CG2 3.56Å; F98-V102 HydrophobicContact CZ-CG2 3.8Å; F98-V102 PolarHBondContact O-N 3.11Å
99P98.7Very high98.1Very high1 Ų126.2 Ų26.21%0.00616%0.158CC..Hα-helixtrans-60.4-30.7-178.9-26.637.8000114.3F56 M81 F85 T97 R101 V102 F103F56-P99 HydrophobicContact CE1-CB 4.29Å; F56-P99 HydrophobicContact CE1-CG 3.79Å; F56-P99 HydrophobicContact CE2-CB 4.28Å; F56-P99 HydrophobicContact CE2-CG 4.27Å; F56-P99 HydrophobicContact CZ-CB 3.65Å; F56-P99 HydrophobicContact CZ-CG 3.6Å; M81-P99 HydrophobicContact CE-CB 4Å; M81-P99 HydrophobicContact CE-CG 3.58Å; M81-P99 HydrophobicContact SD-CB 3.45Å; M81-P99 WeakPolarHBondContact SD-CB 3.27Å; M81-P99 HydrophobicContact SD-CG 3.76Å; F85-P99 HydrophobicContact CD2-CG 4.3Å; F85-P99 HydrophobicContact CE2-CG 3.63Å; T97-P99 VanDerWaalsContact C-CD 3.43Å; T97-P99 VanDerWaalsContact C-N 3.34Å; P99-R101 VanDerWaalsContact C-N 3.34Å; P99-R101 PolarHBondContact O-N 2.77Å; P99-V102 CarbonylContact O-C 3.57Å; P99-V102 WeakPolarHBondContact O-CA 3.42Å; P99-V102 WeakPolarHBondContact O-CB 3.29Å; P99-V102 PolarHBondContact O-N 3.12Å; P99-V102 VanDerWaalsContact O-N 3.12Å; P99-F103 HydrophobicContact CB-CE1 4.29Å; P99-F103 HydrophobicContact CB-CE2 3.8Å; P99-F103 HydrophobicContact CB-CZ 3.61Å; P99-F103 WeakPolarHBondContact O-CD1 3.13Å; P99-F103 VanDerWaalsContact O-CD2 3.27Å; P99-F103 WeakPolarHBondContact O-CD2 3.38Å; P99-F103 WeakPolarHBondContact O-CG 3.23Å; P99-F103 PolarHBondContact O-N 3.44Å
100V98.9Very high98.2Very high1 Ų124.6 Ų24.61%0.00615%0.151CC..Hα-helixtrans-64.3-40.6-176.2-179.90000111.3I30 T97 F98 F103 H104 L111 E224 V227 A228 L233I30-V100 HydrophobicContact CD1-CG2 4.26Å; T97-V100 PolarHBondContact O-N 2.79Å; T97-V100 VanDerWaalsContact O-N 3.15Å; F98-V100 PolarHBondContact O-N 3.31Å; V100-F103 PolarHBondContact O-N 3.05Å; V100-H104 PolarHBondContact O-N 3.26Å; V100-L111 HydrophobicContact CG1-CD2 4.28Å; V100-L111 HydrophobicContact CG2-CD2 4.33Å; V100-E224 HydrophobicContact CG2-CB 3.99Å; V100-E224 HydrophobicContact CG2-CG 4.37Å; V100-V227 HydrophobicContact CB-CB 4.43Å; V100-V227 HydrophobicContact CB-CG1 4.04Å; V100-V227 HydrophobicContact CG1-CB 4.22Å; V100-V227 HydrophobicContact CG1-CG1 3.92Å; V100-A228 HydrophobicContact CG1-CB 3.72Å; V100-L233 HydrophobicContact CG1-CD1 4.44Å
101R98.8Very high98.3Very high5 Ų521.3 Ų21.32%0.01912%0.116CC..Hα-helixtrans-70-34.2173.8-79.8177.9171.4162.31.7112.6E2 Y10 F98 P99 F103 H104 L105 F155 V227E2-R101 VanDerWaalsContact CD-NH2 3.27Å; E2-R101 IonicContact OE1-NH2 3.53Å; E2-R101 PolarHBondContact OE1-NH2 3.09Å; E2-R101 IonicContact OE2-CZ 3.82Å; E2-R101 IonicContact OE2-NH1 3.72Å; E2-R101 PolarHBondContact OE2-NH1 3.44Å; E2-R101 IonicContact OE2-NH2 3.83Å; E2-R101 PolarHBondContact OE2-NH2 3.48Å; Y10-R101 HydrophobicContact CD1-CB 3.43Å; Y10-R101 VanDerWaalsContact CD1-CB 3.43Å; Y10-R101 HydrophobicContact CD1-CG 4.42Å; Y10-R101 HydrophobicContact CE1-CB 3.58Å; Y10-R101 HydrophobicContact CE1-CG 4.2Å; Y10-R101 HydrophobicContact CG-CB 3.99Å; Y10-R101 VanDerWaalsContact CZ-CD 3.44Å; Y10-R101 PolarHBondContact OH-NH1 2.8Å; F98-R101 PolarHBondContact O-N 3.32Å; P99-R101 VanDerWaalsContact C-N 3.34Å; P99-R101 PolarHBondContact O-N 2.77Å; R101-F103 VanDerWaalsContact C-N 3.35Å; R101-H104 WeakPolarHBondContact O-CB 3.35Å; R101-H104 PolarHBondContact O-N 3.3Å; R101-L105 WeakPolarHBondContact O-CG 3.19Å; R101-L105 PolarHBondContact O-N 2.94Å; R101-L105 VanDerWaalsContact O-N 3.12Å; R101-F155 HydrophobicContact CB-CE1 3.92Å; R101-F155 HydrophobicContact CB-CZ 4.06Å; R101-F155 HydrophobicContact CG-CD1 4.04Å; R101-F155 HydrophobicContact CG-CE1 3.86Å; R101-F155 HydrophobicContact CG-CE2 4.39Å; R101-F155 HydrophobicContact CG-CG 4.4Å; R101-F155 HydrophobicContact CG-CZ 4.05Å; R101-V227 HydrophobicContact CG-CG1 3.76Å
102V98.9Very high98.3Very high0 Ų019.2 Ų19.20%011%0.108CC..Hα-helixtrans-61.7-46.4171.4177.10000109.6Y10 T13 A14 L17 F98 P99 H104 L105 L106Y10-V102 HydrophobicContact CD1-CG2 4.28Å; T13-V102 HydrophobicContact CG2-CG1 4.05Å; T13-V102 HydrophobicContact CG2-CG2 3.9Å; A14-V102 HydrophobicContact CB-CG1 4.27Å; L17-V102 HydrophobicContact CD1-CG1 3.66Å; F98-V102 HydrophobicContact CD1-CG2 4.09Å; F98-V102 HydrophobicContact CE1-CG2 3.56Å; F98-V102 HydrophobicContact CZ-CG2 3.8Å; F98-V102 PolarHBondContact O-N 3.11Å; P99-V102 CarbonylContact O-C 3.57Å; P99-V102 WeakPolarHBondContact O-CA 3.42Å; P99-V102 WeakPolarHBondContact O-CB 3.29Å; P99-V102 PolarHBondContact O-N 3.12Å; P99-V102 VanDerWaalsContact O-N 3.12Å; V102-H104 VanDerWaalsContact C-N 3.34Å; V102-H104 PolarHBondContact O-N 2.95Å; V102-L105 CarbonylContact O-C 3.58Å; V102-L105 PolarHBondContact O-N 2.97Å; V102-L106 HydrophobicContact CG1-CD1 4.29Å; V102-L106 HydrophobicContact CG1-CG 4.29Å; V102-L106 WeakPolarHBondContact O-CG 3.41Å; V102-L106 PolarHBondContact O-N 2.97Å
103F98.9Very high98.3Very high0 Ų017.4 Ų17.40%010%0.096CC..Hα-helixtrans-58-44.7177.3-58.3-27.7000112.7A28 I30 L68 V79 M81 P99 V100 R101 L105 L106 G107 V108 L111A28-F103 HydrophobicContact CB-CB 4.06Å; A28-F103 HydrophobicContact CB-CD1 4.38Å; A28-F103 HydrophobicContact CB-CD2 3.45Å; A28-F103 VanDerWaalsContact CB-CD2 3.45Å; A28-F103 HydrophobicContact CB-CE2 4Å; A28-F103 HydrophobicContact CB-CG 3.7Å; I30-F103 HydrophobicContact CG1-CE2 4.44Å; L68-F103 HydrophobicContact CD1-CE1 3.85Å; L68-F103 HydrophobicContact CD1-CZ 3.92Å; L68-F103 HydrophobicContact CD2-CE1 4.37Å; V79-F103 HydrophobicContact CG1-CD1 3.87Å; V79-F103 HydrophobicContact CG1-CE1 4.09Å; V79-F103 HydrophobicContact CG1-CG 4.43Å; V79-F103 HydrophobicContact CG2-CE1 4.12Å; M81-F103 HydrophobicContact CG-CE2 4.08Å; M81-F103 HydrophobicContact CG-CZ 3.53Å; M81-F103 HydrophobicContact SD-CE2 3.71Å; M81-F103 HydrophobicContact SD-CZ 3.58Å; M81-F103 VanDerWaalsContact SD-CZ 3.58Å; P99-F103 HydrophobicContact CB-CE1 4.29Å; P99-F103 HydrophobicContact CB-CE2 3.8Å; P99-F103 HydrophobicContact CB-CZ 3.61Å; P99-F103 WeakPolarHBondContact O-CD1 3.13Å; P99-F103 VanDerWaalsContact O-CD2 3.27Å; P99-F103 WeakPolarHBondContact O-CD2 3.38Å; P99-F103 WeakPolarHBondContact O-CG 3.23Å; P99-F103 PolarHBondContact O-N 3.44Å; V100-F103 PolarHBondContact O-N 3.05Å; R101-F103 VanDerWaalsContact C-N 3.35Å; F103-L105 VanDerWaalsContact C-N 3.31Å; F103-L105 PolarHBondContact O-N 3.4Å; F103-L106 HydrophobicContact CD1-CD1 4.22Å; F103-L106 WeakPolarHBondContact O-CB 3.46Å; F103-L106 PolarHBondContact O-N 3.42Å; F103-L106 VanDerWaalsContact O-N 3.1Å; F103-G107 PolarHBondContact O-N 3.47Å; F103-V108 HydrophobicContact CB-CB 4.01Å; F103-V108 HydrophobicContact CB-CG1 4.4Å; F103-V108 HydrophobicContact CB-CG2 3.92Å; F103-V108 VanDerWaalsContact O-CB 3.23Å; F103-V108 WeakPolarHBondContact O-CB 3.34Å; F103-V108 WeakPolarHBondContact O-CG2 3.46Å; F103-V108 PolarHBondContact O-N 3.21Å; F103-L111 HydrophobicContact CD2-CD1 4.31Å
104H98.8Very high98.2Very high59 Ų5917.2 Ų17.227%0.27310%0.095SC..Hα-helixtrans-52.5-49.6172.1175.476.8000111.8V100 R101 V102 L106 G107 C231 L233V100-H104 PolarHBondContact O-N 3.26Å; R101-H104 WeakPolarHBondContact O-CB 3.35Å; R101-H104 PolarHBondContact O-N 3.3Å; V102-H104 VanDerWaalsContact C-N 3.34Å; V102-H104 PolarHBondContact O-N 2.95Å; H104-L106 VanDerWaalsContact C-N 3.29Å; H104-L106 PolarHBondContact O-N 3.48Å; H104-G107 PolarHBondContact O-N 2.9Å; H104-C231 HydrophobicContact CB-CB 4.4Å; H104-C231 PolarHBondContact CE1-O 2.95Å; H104-C231 VanDerWaalsContact CE1-O 3.31Å; H104-C231 PolarHBondContact ND1-O 3.32Å; H104-C231 VanDerWaalsContact ND1-O 3.11Å; H104-L233 HydrophobicContact CB-CD1 4.14Å
105L98.8Very high98.2Very high40 Ų4014.4 Ų14.421%0.2099%0.085CC..Hα-helixtrans-71-20179.6-64.1179000114Y7 K11 A14 R101 V102 F103 G107 F155Y7-L105 HydrophobicContact CE2-CD2 4.35Å; K11-L105 HydrophobicContact CB-CD1 4.33Å; A14-L105 HydrophobicContact CB-CB 3.6Å; A14-L105 HydrophobicContact CB-CD1 4.42Å; R101-L105 WeakPolarHBondContact O-CG 3.19Å; R101-L105 PolarHBondContact O-N 2.94Å; R101-L105 VanDerWaalsContact O-N 3.12Å; V102-L105 CarbonylContact O-C 3.58Å; V102-L105 PolarHBondContact O-N 2.97Å; F103-L105 VanDerWaalsContact C-N 3.31Å; F103-L105 PolarHBondContact O-N 3.4Å; L105-G107 PolarHBondContact O-N 3.16Å; L105-F155 HydrophobicContact CD1-CE1 4.27Å; L105-F155 HydrophobicContact CD1-CZ 4.4Å; L105-F155 HydrophobicContact CD2-CE1 4.32Å; L105-F155 HydrophobicContact CG-CE1 4.22Å
106L98.8Very high98Very high9 Ų911.8 Ų11.85%0.0478%0.076CC..THydrogen-bonded Turntrans-74.9-8.5169-64.7179.4000113.1A14 L17 L18 P25 F70 V102 F103 H104A14-L106 HydrophobicContact CB-CD2 4.1Å; L17-L106 HydrophobicContact CB-CD2 3.95Å; L17-L106 HydrophobicContact CD1-CD1 4.13Å; L17-L106 HydrophobicContact CD1-CD2 4.48Å; L18-L106 HydrophobicContact CD1-CD2 4.25Å; L18-L106 HydrophobicContact CD2-CD2 3.84Å; L18-L106 HydrophobicContact CG-CD2 3.61Å; P25-L106 HydrophobicContact CG-CB 4.33Å; P25-L106 HydrophobicContact CG-CD1 4.43Å; F70-L106 HydrophobicContact CE1-CD1 4.06Å; F70-L106 HydrophobicContact CZ-CD1 4.02Å; V102-L106 HydrophobicContact CG1-CD1 4.29Å; V102-L106 HydrophobicContact CG1-CG 4.29Å; V102-L106 WeakPolarHBondContact O-CG 3.41Å; V102-L106 PolarHBondContact O-N 2.97Å; F103-L106 HydrophobicContact CD1-CD1 4.22Å; F103-L106 WeakPolarHBondContact O-CB 3.46Å; F103-L106 PolarHBondContact O-N 3.42Å; F103-L106 VanDerWaalsContact O-N 3.1Å; H104-L106 VanDerWaalsContact C-N 3.29Å; H104-L106 PolarHBondContact O-N 3.48Å
107G98.2Very high98Very high55 Ų5511.6 Ų11.657%0.5678%0.076SC*.THydrogen-bonded Turntrans91.114.8-177.200000114.4F103 H104 L105 D109F103-G107 PolarHBondContact O-N 3.47Å; H104-G107 PolarHBondContact O-N 2.9Å; L105-G107 PolarHBondContact O-N 3.16Å; G107-D109 PolarHBondContact O-N 2.91Å
108V98.6Very high98Very high5 Ų511.8 Ų11.83%0.038%0.078CC..  trans-67130.9174.6175.90000109.5P25 Q26 A28 V79 F103 T110 L233P25-V108 HydrophobicContact CB-CG2 4.14Å; P25-V108 HydrophobicContact CG-CG2 3.88Å; P25-V108 WeakPolarHBondContact O-CG2 3.39Å; Q26-V108 WeakPolarHBondContact O-CG1 3.48Å; A28-V108 HydrophobicContact CB-CG1 3.71Å; A28-V108 HydrophobicContact CB-CG2 4.29Å; A28-V108 VanDerWaalsContact N-CG1 3.32Å; V79-V108 HydrophobicContact CG1-CG2 4.07Å; F103-V108 HydrophobicContact CB-CB 4.01Å; F103-V108 HydrophobicContact CB-CG1 4.4Å; F103-V108 HydrophobicContact CB-CG2 3.92Å; F103-V108 VanDerWaalsContact O-CB 3.23Å; F103-V108 WeakPolarHBondContact O-CB 3.34Å; F103-V108 WeakPolarHBondContact O-CG2 3.46Å; F103-V108 PolarHBondContact O-N 3.21Å; V108-T110 VanDerWaalsContact CG1-O 3.23Å; V108-T110 WeakPolarHBondContact CG1-O 3.45Å; V108-L233 HydrophobicContact CB-CD2 4.16Å; V108-L233 HydrophobicContact CG1-CD2 3.65Å; V108-L233 WeakPolarHBondContact O-CD2 3.26Å
109D97.7Very high98Very high42 Ų4212 Ų1223%0.2258%0.079CC..  trans-104.9-17.1177.669.929.4000113.2Q26 G107 R234Q26-D109 VanDerWaalsContact CG-OD2 3.3Å; Q26-D109 WeakPolarHBondContact CG-OD2 3.46Å; Q26-D109 PolarHBondContact NE2-OD2 3.44Å; Q26-D109 PolarHBondContact O-N 3.24Å; G107-D109 PolarHBondContact O-N 2.91Å; D109-R234 WeakPolarHBondContact O-CB 3.36Å; D109-R234 PolarHBondContact O-N 3.42Å; D109-R234 IonicContact OD1-NH1 3.95Å
110T98.2Very high97.9Very high0 Ų011.9 Ų11.90%08%0.079CC..EExtended strand (participates in β ladder)trans-133.5125.1-174.5-580000110.7Q26 V27 A28 V108 M170 R234 I282Q26-T110 PolarHBondContact O-N 3.45Å; V27-T110 CarbonylContact C-O 3.55Å; V27-T110 WeakPolarHBondContact CA-O 3.39Å; V27-T110 HydrophobicContact CG1-CG2 4.43Å; A28-T110 PolarHBondContact N-O 3.11Å; V108-T110 VanDerWaalsContact CG1-O 3.23Å; V108-T110 WeakPolarHBondContact CG1-O 3.45Å; T110-M170 HydrophobicContact CG2-CE 4.12Å; T110-M170 HydrophobicContact CG2-SD 4.03Å; T110-R234 CarbonylContact C-O 3.6Å; T110-R234 WeakPolarHBondContact CA-O 3.45Å; T110-R234 HydrophobicContact CG2-CB 4.44Å; T110-R234 PolarHBondContact OG1-NH1 3.45Å; T110-I282 HydrophobicContact CG2-CD1 3.92Å; T110-I282 HydrophobicContact CG2-CG1 4.25Å
111L98.5Very high97.9Very high0 Ų013.5 Ų13.50%09%0.088CC..EExtended strand (participates in β ladder)trans-105.5128.4171.5-176.967.7000110.5A28 I30 V100 F103 V113 A228 L233 R234 V235 F236A28-L111 HydrophobicContact CB-CD1 3.67Å; A28-L111 CarbonylContact O-C 3.57Å; A28-L111 WeakPolarHBondContact O-CA 3.14Å; I30-L111 HydrophobicContact CD1-CD1 3.95Å; I30-L111 HydrophobicContact CD1-CD2 4.44Å; I30-L111 HydrophobicContact CG1-CD1 3.94Å; V100-L111 HydrophobicContact CG1-CD2 4.28Å; V100-L111 HydrophobicContact CG2-CD2 4.33Å; F103-L111 HydrophobicContact CD2-CD1 4.31Å; L111-V113 HydrophobicContact CD2-CG1 3.76Å; L111-V113 HydrophobicContact CG-CG1 3.9Å; L111-A228 HydrophobicContact CB-CB 4.33Å; L111-A228 HydrophobicContact CD2-CB 3.5Å; L111-L233 HydrophobicContact CB-CD2 4.26Å; L111-R234 PolarHBondContact N-O 2.87Å; L111-V235 HydrophobicContact CB-CG2 4.41Å; L111-V235 WeakPolarHBondContact O-CA 3.31Å; L111-F236 PolarHBondContact O-N 3.34Å
112V97.6Very high97.8Very high2 Ų217.7 Ų17.71%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-108.6117.5170.3-178.40000108.6V27 A28 I29 I30 T114 F236 F238 L278V27-V112 HydrophobicContact CG1-CG2 3.97Å; A28-V112 PolarHBondContact O-N 3.33Å; I29-V112 CarbonylContact C-O 3.53Å; I29-V112 WeakPolarHBondContact CA-O 3.34Å; I29-V112 HydrophobicContact CB-CB 4.45Å; I29-V112 HydrophobicContact CG1-CB 4.18Å; I29-V112 HydrophobicContact CG2-CB 4.2Å; I29-V112 HydrophobicContact CG2-CG1 4.26Å; I30-V112 PolarHBondContact N-O 2.98Å; V112-T114 HydrophobicContact CG1-CG2 4.17Å; V112-F236 CarbonylContact C-O 3.57Å; V112-F236 VanDerWaalsContact CA-O 3.27Å; V112-F236 WeakPolarHBondContact CA-O 3.16Å; V112-F236 HydrophobicContact CG1-CD1 4.31Å; V112-F238 HydrophobicContact CG1-CE1 4.4Å; V112-L278 HydrophobicContact CG1-CD1 3.77Å; V112-L278 HydrophobicContact CG2-CD1 4.06Å; V112-L278 HydrophobicContact CG2-CD2 3.47Å; V112-L278 VanDerWaalsContact CG2-CD2 3.47Å; V112-L278 HydrophobicContact CG2-CG 4.42Å
113V97.7Very high97.7Very high0 Ų025.2 Ų25.20%015%0.148CC..EExtended strand (participates in β ladder)trans-106.8128.8177.5-68.20000110.7I30 L111 T221 E224 V225 V235 F236 G237 F238I30-V113 HydrophobicContact CD1-CG1 4.3Å; L111-V113 HydrophobicContact CD2-CG1 3.76Å; L111-V113 HydrophobicContact CG-CG1 3.9Å; V113-T221 HydrophobicContact CB-CG2 3.91Å; V113-T221 HydrophobicContact CG2-CG2 3.53Å; V113-E224 HydrophobicContact CG1-CB 4.29Å; V113-V225 HydrophobicContact CG1-CG2 4.43Å; V113-V225 HydrophobicContact CG2-CG2 3.85Å; V113-V235 HydrophobicContact CG2-CG1 4.4Å; V113-F236 PolarHBondContact N-O 3.07Å; V113-G237 WeakPolarHBondContact O-CA 3.49Å; V113-F238 PolarHBondContact O-N 3.36Å; V113-F238 VanDerWaalsContact O-N 3.12Å
114T95.9Very high97.6Very high3 Ų325.5 Ų25.52%0.01815%0.149CC..EExtended strand (participates in β ladder)trans-123.8139.6179.379.90000110.1I29 I30 C31 G32 L35 R84 V112 F238I29-T114 HydrophobicContact CG2-CG2 4.36Å; I30-T114 PolarHBondContact O-N 3Å; I30-T114 PolarHBondContact O-OG1 2.86Å; I30-T114 VanDerWaalsContact O-OG1 3.05Å; C31-T114 WeakPolarHBondContact CA-OG1 3.37Å; G32-T114 WeakPolarHBondContact CA-O 3.3Å; G32-T114 PolarHBondContact N-O 3.49Å; G32-T114 VanDerWaalsContact N-O 3.14Å; G32-T114 PolarHBondContact N-OG1 2.82Å; L35-T114 WeakPolarHBondContact CD1-OG1 3.42Å; R84-T114 PolarHBondContact NH1-O 3.12Å; R84-T114 PolarHBondContact NH2-O 3.2Å; V112-T114 HydrophobicContact CG1-CG2 4.17Å; T114-F238 WeakPolarHBondContact CA-O 3.38Å; T114-F238 HydrophobicContact CG2-CD1 4.12Å; T114-F238 HydrophobicContact CG2-CE1 3.36Å; T114-F238 HydrophobicContact CG2-CE2 3.98Å; T114-F238 HydrophobicContact CG2-CZ 3.28Å
115N95.9Very high97.5Very high1 Ų126.5 Ų26.51%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-144.1160.4177.262.969.2000111.9Y192 T221 F238 S239 L240N115-Y192 WeakPolarHBondContact OD1-CE2 3.4Å; N115-T221 PolarHBondContact ND2-OG1 3.38Å; N115-F238 PolarHBondContact N-O 2.93Å; N115-S239 PolarHBondContact ND2-OG 3.42Å; N115-S239 CarbonylContact O-C 3.54Å; N115-S239 WeakPolarHBondContact O-CA 3.39Å; N115-S239 VanDerWaalsContact OD1-CB 3.29Å; N115-S239 WeakPolarHBondContact OD1-CB 3.24Å; N115-S239 PolarHBondContact OD1-OG 2.89Å; N115-L240 PolarHBondContact O-N 2.79Å
116A94.5Very high97.2Very high17 Ų1728 Ų2814%0.1417%0.165CC..EExtended strand (participates in β ladder)trans-85.6143.115900000108.8L240 T242 V260A116-L240 WeakPolarHBondContact CA-O 3.2Å; A116-T242 HydrophobicContact CB-CG2 3.62Å; A116-V260 HydrophobicContact CB-CG1 3.55Å
117A97.7Very high96.9Very high3 Ų328.5 Ų28.53%0.02517%0.172CC..EExtended strand (participates in β ladder)trans-144.8149.8-179.500000111.8Y192 A216 V217 L240 I241 T242A117-Y192 HydrophobicContact CB-CD2 4.41Å; A117-Y192 HydrophobicContact CB-CE2 4.06Å; A117-A216 HydrophobicContact CB-CB 3.86Å; A117-V217 CarbonylContact C-O 3.5Å; A117-V217 VanDerWaalsContact CA-O 3.26Å; A117-V217 WeakPolarHBondContact CA-O 3.41Å; A117-V217 WeakPolarHBondContact CB-O 3.44Å; A117-L240 PolarHBondContact N-O 2.66Å; A117-I241 WeakPolarHBondContact O-CA 3.39Å; A117-T242 PolarHBondContact O-N 3.5Å; A117-T242 PolarHBondContact O-OG1 3.07Å
118G98Very high96.8Very high5 Ų526.2 Ų26.25%0.05215%0.147CC..EExtended strand (participates in β ladder)trans-78.7132.1166.600000110.4L120 A216 V217G118-L120 PolarHBondContact O-N 3.39Å; G118-A216 CarbonylContact O-C 3.54Å; G118-A216 VanDerWaalsContact O-CA 3.25Å; G118-A216 WeakPolarHBondContact O-CA 3.23Å; G118-V217 PolarHBondContact N-O 3.38Å; G118-V217 PolarHBondContact O-N 3.04Å
119G98.3Very high96.6Very high3 Ų326.3 Ų26.33%0.03115%0.147CC..EExtended strand (participates in β ladder)trans-77.1118.6175.900000111.9N243 V245G119-N243 PolarHBondContact N-O 3.27Å; G119-V245 WeakPolarHBondContact O-CB 3.29Å; G119-V245 PolarHBondContact O-N 3.22Å
120L98.5Very high96.6Very high0 Ų024.3 Ų24.30%014%0.136CC..  trans-94.7-28171.7-67.4168000111.6G118 V193 L209 Q210 A214 D215 V217 V245 M247G118-L120 PolarHBondContact O-N 3.39Å; L120-V193 HydrophobicContact CD1-CG1 4.13Å; L120-L209 HydrophobicContact CD1-CB 3.58Å; L120-L209 HydrophobicContact CD1-CD1 4.3Å; L120-L209 HydrophobicContact CD2-CB 4.29Å; L120-Q210 PolarHBondContact O-NE2 2.98Å; L120-A214 HydrophobicContact CD1-CB 3.72Å; L120-D215 PolarHBondContact N-O 3.26Å; L120-V217 HydrophobicContact CD1-CB 3.97Å; L120-V217 HydrophobicContact CD1-CG1 4.22Å; L120-V217 HydrophobicContact CD2-CG1 4.35Å; L120-V217 HydrophobicContact CG-CB 4.4Å; L120-V217 HydrophobicContact CG-CG1 4.12Å; L120-V245 HydrophobicContact CD2-CB 3.95Å; L120-V245 HydrophobicContact CD2-CG1 3.96Å; L120-V245 HydrophobicContact CD2-CG2 3.99Å; L120-V245 HydrophobicContact CG-CG2 4.34Å; L120-M247 WeakPolarHBondContact O-CE 3.48Å
121N98.1Very high96.6Very high35 Ų3524.3 Ų24.319%0.18714%0.136CC..SBendtrans-74.9120.2175.2-170.2-38.7000109.8K123 F124 D215N121-K123 PolarHBondContact O-N 2.99Å; N121-K123 WeakPolarHBondContact OD1-CB 3.48Å; N121-K123 PolarHBondContact OD1-N 3.47Å; N121-F124 HydrophobicContact CB-CD1 4.13Å; N121-F124 HydrophobicContact CB-CD2 3.83Å; N121-F124 HydrophobicContact CB-CE1 4.09Å; N121-F124 HydrophobicContact CB-CE2 3.8Å; N121-F124 HydrophobicContact CB-CG 3.99Å; N121-F124 HydrophobicContact CB-CZ 3.94Å; N121-F124 WeakPolarHBondContact O-CB 3.35Å; N121-F124 PolarHBondContact O-N 3.18Å; N121-D215 HydrophobicContact CB-CB 4.13Å; N121-D215 PolarHBondContact N-O 2.89Å; N121-D215 PolarHBondContact ND2-OD1 2.87Å
122P96.1Very high96.6Very high92 Ų9224.3 Ų24.360%0.59714%0.136SC*.THydrogen-bonded Turntrans-66.6-12.7-174.927.8-36.1000113.8F124P122-F124 VanDerWaalsContact C-N 3.34Å
123K97.3Very high96.7Very high159 Ų15929.6 Ų29.669%0.69116%0.156SC*.THydrogen-bonded Turntrans-79.4-18175.1-60.6-176.9-179.2178.90113.1N121 R185N121-K123 PolarHBondContact O-N 2.99Å; N121-K123 WeakPolarHBondContact OD1-CB 3.48Å; N121-K123 PolarHBondContact OD1-N 3.47Å; K123-R185 PolarHBondContact O-NH2 3.05Å
124F97.5Very high96.7Very high5 Ų533 Ų332%0.02217%0.174CC..  trans-79.3144.9-179.7-63.8-6.5000110.7N121 P122 D128 M130 Q188 D215 I241 K244N121-F124 HydrophobicContact CB-CD1 4.13Å; N121-F124 HydrophobicContact CB-CD2 3.83Å; N121-F124 HydrophobicContact CB-CE1 4.09Å; N121-F124 HydrophobicContact CB-CE2 3.8Å; N121-F124 HydrophobicContact CB-CG 3.99Å; N121-F124 HydrophobicContact CB-CZ 3.94Å; N121-F124 WeakPolarHBondContact O-CB 3.35Å; N121-F124 PolarHBondContact O-N 3.18Å; P122-F124 VanDerWaalsContact C-N 3.34Å; F124-D128 WeakPolarHBondContact CA-OD2 3.23Å; F124-M130 HydrophobicContact CE2-CB 4.25Å; F124-M130 HydrophobicContact CE2-CG 3.85Å; F124-M130 HydrophobicContact CE2-SD 3.42Å; F124-M130 WeakPolarHBondContact CE2-SD 3.5Å; F124-M130 HydrophobicContact CZ-CG 3.88Å; F124-M130 HydrophobicContact CZ-SD 3.82Å; F124-Q188 HydrophobicContact CD1-CB 4.04Å; F124-Q188 HydrophobicContact CD1-CG 3.71Å; F124-Q188 HydrophobicContact CE1-CB 3.56Å; F124-Q188 HydrophobicContact CE1-CG 3.76Å; F124-Q188 HydrophobicContact CG-CG 4.46Å; F124-Q188 HydrophobicContact CZ-CB 3.92Å; F124-D215 HydrophobicContact CE2-CB 3.71Å; F124-D215 HydrophobicContact CZ-CB 3.93Å; F124-I241 HydrophobicContact CB-CG1 4.29Å; F124-I241 HydrophobicContact CB-CG2 4.43Å; F124-I241 HydrophobicContact CD2-CD1 3.85Å; F124-I241 HydrophobicContact CD2-CG1 3.99Å; F124-I241 HydrophobicContact CE2-CD1 4.39Å; F124-I241 HydrophobicContact CG-CG1 4.43Å; F124-K244 WeakPolarHBondContact O-CE 3.43Å; F124-K244 PolarHBondContact O-NZ 2.78Å
125E95.1Very high96.9Very high80 Ų8034 Ų3437%0.37418%0.179SC..  trans-114.6155.2176.1-65.1-59.314800110.3G127 D128 I241 K244E125-G127 PolarHBondContact O-N 2.87Å; E125-D128 PolarHBondContact N-OD2 3.17Å; E125-D128 VanDerWaalsContact O-CB 3.23Å; E125-D128 WeakPolarHBondContact O-CB 3.43Å; E125-D128 PolarHBondContact O-N 3.46Å; E125-I241 WeakPolarHBondContact O-CG2 3.42Å; E125-K244 IonicContact OE1-NZ 2.76Å; E125-K244 PolarHBondContact OE1-NZ 3.26Å; E125-K244 WeakPolarHBondContact OE2-CE 3.34Å; E125-K244 IonicContact OE2-NZ 3.64Å; E125-K244 PolarHBondContact OE2-NZ 3.1Å
126V93.7Very high97Very high73 Ų7335.4 Ų35.444%0.44219%0.186SC..THydrogen-bonded Turntrans-61.3131.5171.3178.40000109I241 T242 K244 A263V126-I241 CarbonylContact C-O 3.45Å; V126-I241 WeakPolarHBondContact CA-O 3.4Å; V126-T242 WeakPolarHBondContact CG1-O 3.43Å; V126-K244 HydrophobicContact CG2-CG 4.34Å; V126-A263 HydrophobicContact CG1-CB 4.14Å
127G92.2Very high97.2Very high19 Ų1935.5 Ų35.520%0.19618%0.184CC..THydrogen-bonded Turntrans90.3-3.2-173.300000114.5E125 I241E125-G127 PolarHBondContact O-N 2.87Å; G127-I241 PolarHBondContact N-O 3.07Å
128D94.9Very high97.3Very high6 Ų637.7 Ų37.73%0.03220%0.195CC..  trans-66.6145.3169.3-79.4-11.9000110.9F124 E125 R185 Q188 I241F124-D128 WeakPolarHBondContact CA-OD2 3.23Å; E125-D128 PolarHBondContact N-OD2 3.17Å; E125-D128 VanDerWaalsContact O-CB 3.23Å; E125-D128 WeakPolarHBondContact O-CB 3.43Å; E125-D128 PolarHBondContact O-N 3.46Å; D128-R185 WeakPolarHBondContact OD1-CG 3.26Å; D128-R185 IonicContact OD1-CZ 3.45Å; D128-R185 IonicContact OD1-NE 3.33Å; D128-R185 PolarHBondContact OD1-NE 3.27Å; D128-R185 IonicContact OD1-NH2 3.66Å; D128-R185 IonicContact OD2-CZ 3.93Å; D128-R185 IonicContact OD2-NE 2.89Å; D128-R185 PolarHBondContact OD2-NE 2.9Å; D128-R185 IonicContact OD2-NH2 2.71Å; D128-R185 PolarHBondContact OD2-NH2 3.04Å; D128-Q188 HydrophobicContact CB-CG 4Å; D128-I241 HydrophobicContact CB-CB 4.24Å; D128-I241 HydrophobicContact CB-CG1 4.05Å; D128-I241 PolarHBondContact O-N 3.28Å
129I95.3Very high97.3Very high7 Ų737.9 Ų37.94%0.03620%0.196CC..EExtended strand (participates in β ladder)trans-104.1122.4167.8-59.7164.7000108.2W178 L187 Q188 F238 S239 L240 K270 L271 L274I129-W178 HydrophobicContact CD1-CH2 4.28Å; I129-L187 HydrophobicContact CB-CD1 3.78Å; I129-L187 HydrophobicContact CG2-CD1 3.84Å; I129-Q188 PolarHBondContact O-N 3.21Å; I129-F238 HydrophobicContact CG2-CB 3.95Å; I129-F238 HydrophobicContact CG2-CD2 3.7Å; I129-F238 HydrophobicContact CG2-CG 4.06Å; I129-S239 WeakPolarHBondContact CA-O 3.49Å; I129-L240 HydrophobicContact CG1-CD1 4.28Å; I129-K270 HydrophobicContact CD1-CB 4.12Å; I129-L271 HydrophobicContact CD1-CD2 4.05Å; I129-L271 HydrophobicContact CD1-CG 4.5Å; I129-L271 HydrophobicContact CG1-CD2 4.38Å; I129-L274 HydrophobicContact CD1-CD2 4.23Å; I129-L274 HydrophobicContact CG2-CD2 3.73Å
130M97.9Very high97.3Very high0 Ų038.6 Ų38.60%020%0.203CC..EExtended strand (participates in β ladder)trans-104.5116.7175.5-173.8-162.87400110.1F124 I132 Q188 D215 A216 F238 S239 I241F124-M130 HydrophobicContact CE2-CB 4.25Å; F124-M130 HydrophobicContact CE2-CG 3.85Å; F124-M130 HydrophobicContact CE2-SD 3.42Å; F124-M130 WeakPolarHBondContact CE2-SD 3.5Å; F124-M130 HydrophobicContact CZ-CG 3.88Å; F124-M130 HydrophobicContact CZ-SD 3.82Å; M130-I132 HydrophobicContact CE-CG1 4.23Å; M130-I132 PolarHBondContact O-N 3.36Å; M130-Q188 CarbonylContact C-O 3.6Å; M130-Q188 WeakPolarHBondContact CA-O 3.49Å; M130-Q188 HydrophobicContact CB-CB 4.07Å; M130-Q188 HydrophobicContact CG-CB 4.18Å; M130-D215 HydrophobicContact SD-CB 3.81Å; M130-A216 HydrophobicContact CE-CB 3.63Å; M130-A216 HydrophobicContact SD-CB 3.84Å; M130-F238 CarbonylContact O-C 3.58Å; M130-F238 WeakPolarHBondContact O-CA 3.34Å; M130-F238 WeakPolarHBondContact O-CB 3.29Å; M130-S239 PolarHBondContact N-O 2.87Å; M130-S239 PolarHBondContact O-N 3.17Å; M130-I241 HydrophobicContact CB-CD1 4.32Å
131L97.9Very high97.3Very high0 Ų046.6 Ų46.60%024%0.238CC..EExtended strand (participates in β ladder)trans-63.3131.5164.7-62.4-167.7000110R133 R171 A174 L175 L187 Q188 E189 G190 F236 F238L131-R133 PolarHBondContact O-N 2.93Å; L131-R171 HydrophobicContact CD1-CB 4.44Å; L131-A174 HydrophobicContact CD1-CB 3.93Å; L131-L175 HydrophobicContact CD1-CD2 4.15Å; L131-L175 HydrophobicContact CD1-CG 3.92Å; L131-L187 HydrophobicContact CD1-CD2 3.62Å; L131-L187 HydrophobicContact CD1-CG 4.41Å; L131-L187 HydrophobicContact CD2-CD2 3.76Å; L131-L187 HydrophobicContact CD2-CG 4.26Å; L131-L187 HydrophobicContact CG-CD2 3.57Å; L131-L187 HydrophobicContact CG-CG 3.93Å; L131-Q188 PolarHBondContact N-O 3.24Å; L131-E189 HydrophobicContact CB-CB 4.38Å; L131-E189 HydrophobicContact CB-CG 4.28Å; L131-E189 WeakPolarHBondContact O-CA 3.32Å; L131-G190 PolarHBondContact O-N 3.04Å; L131-F236 HydrophobicContact CD1-CE2 4.43Å; L131-F236 HydrophobicContact CD1-CZ 4.43Å; L131-F236 HydrophobicContact CD2-CE1 4.1Å; L131-F236 HydrophobicContact CD2-CE2 4.11Å; L131-F236 HydrophobicContact CD2-CZ 3.4Å; L131-F236 VanDerWaalsContact CD2-CZ 3.4Å; L131-F238 HydrophobicContact CD2-CB 4.04Å
132I98.8Very high97.3Very high0 Ų049.5 Ų49.50%026%0.261CS..EExtended strand (participates in β ladder)trans-80.9105.7175.6-55.1172.1000107.2M130 D134 Y166 Y192 T221 G237M130-I132 HydrophobicContact CE-CG1 4.23Å; M130-I132 PolarHBondContact O-N 3.36Å; I132-D134 WeakPolarHBondContact CG2-O 3.34Å; I132-Y166 HydrophobicContact CB-CD1 4.07Å; I132-Y166 HydrophobicContact CB-CE1 3.83Å; I132-Y166 HydrophobicContact CD1-CE1 4.48Å; I132-Y166 HydrophobicContact CG2-CD1 3.95Å; I132-Y166 HydrophobicContact CG2-CD2 4.19Å; I132-Y166 HydrophobicContact CG2-CE1 3.45Å; I132-Y166 VanDerWaalsContact CG2-CE1 3.45Å; I132-Y166 HydrophobicContact CG2-CE2 3.72Å; I132-Y166 HydrophobicContact CG2-CG 4.29Å; I132-Y166 WeakPolarHBondContact O-CB 3.48Å; I132-Y166 WeakPolarHBondContact O-CD1 3.43Å; I132-Y192 HydrophobicContact CD1-CG 4.47Å; I132-T221 HydrophobicContact CD1-CG2 4.11Å; I132-G237 PolarHBondContact N-O 2.83Å
133R98.8Very high97.4Very high114 Ų11446.5 Ų46.543%0.4325%0.247SC..EExtended strand (participates in β ladder)trans-78.8-37.7173.2-177.4-178.269.4-148.9-5.5111.2L131 E189 G190L131-R133 PolarHBondContact O-N 2.93Å; R133-E189 HydrophobicContact CB-CG 3.72Å; R133-E189 HydrophobicContact CG-CG 4.42Å; R133-G190 PolarHBondContact N-O 3.46Å
134D98.9Very high97.5Very high71 Ų7143 Ų4338%0.3823%0.233SC..EExtended strand (participates in β ladder)trans-156.2171.5-176.5-156.3-1.2000110.7I132 T191 Y192I132-D134 WeakPolarHBondContact CG2-O 3.34Å; D134-T191 HydrophobicContact CB-CG2 4.36Å; D134-T191 WeakPolarHBondContact O-CA 3.34Å; D134-Y192 PolarHBondContact O-N 3.1Å
135H98.9Very high97.5Very high24 Ų2445.3 Ų45.311%0.11125%0.245CC..EExtended strand (participates in β ladder)trans-134.4158.5173.267.7-119.4000114.8Y166 Y192 V222H135-Y166 HydrophobicContact CB-CE2 4.12Å; H135-Y166 AromaticContact ND1-CE2 3.34Å; H135-Y166 VanDerWaalsContact ND1-CE2 3.34Å; H135-Y166 WeakPolarHBondContact ND1-CE2 3.48Å; H135-Y166 AromaticContact ND1-CZ 3.52Å; H135-Y166 PolarHBondContact ND1-OH 2.85Å; H135-Y192 CarbonylContact C-O 3.5Å; H135-Y192 WeakPolarHBondContact CA-O 3.41Å; H135-Y192 VanDerWaalsContact CB-O 3.27Å; H135-Y192 WeakPolarHBondContact CB-O 3.37Å; H135-V222 HydrophobicContact CB-CG2 3.7Å
136I98.9Very high97.7Very high31 Ų3141.7 Ų41.716%0.15923%0.229CC..EExtended strand (participates in β ladder)trans-112.3117.5165.1-60.7170.4000108.1L138 F141 T191 Y192 V193 M194 L212 A214I136-L138 HydrophobicContact CG2-CD2 3.91Å; I136-L138 HydrophobicContact CG2-CG 4.03Å; I136-L138 PolarHBondContact O-N 2.82Å; I136-F141 HydrophobicContact CG2-CE2 4.31Å; I136-T191 HydrophobicContact CD1-CG2 4.18Å; I136-T191 HydrophobicContact CG1-CG2 3.91Å; I136-Y192 PolarHBondContact N-O 2.81Å; I136-V193 HydrophobicContact CB-CB 4.08Å; I136-V193 HydrophobicContact CB-CG2 3.82Å; I136-V193 HydrophobicContact CG2-CG2 3.96Å; I136-M194 PolarHBondContact O-N 3Å; I136-L212 HydrophobicContact CD1-CB 4.34Å; I136-A214 HydrophobicContact CD1-CB 4.4Å
137N98.8Very high97.9Very high18 Ų1839.1 Ų39.110%0.09621%0.212CC..EExtended strand (participates in β ladder)trans-94.577.6179.3-172.46.4000111.4G140 F141 V222 I226N137-G140 WeakPolarHBondContact ND2-CA 3.5Å; N137-G140 WeakPolarHBondContact O-CA 3.41Å; N137-G140 PolarHBondContact O-N 2.97Å; N137-G140 PolarHBondContact OD1-N 3.04Å; N137-F141 PolarHBondContact O-N 3.16Å; N137-V222 HydrophobicContact CB-CG1 3.61Å; N137-I226 WeakPolarHBondContact ND2-CD1 2.81Å
138L98.7Very high98.2Very high49 Ų4945.7 Ų45.726%0.25723%0.231SC..Hα-helixtrans-60.1-42.6179.4-67.6178000113.3I136 G140 F141 V193 L195 L209 L212I136-L138 HydrophobicContact CG2-CD2 3.91Å; I136-L138 HydrophobicContact CG2-CG 4.03Å; I136-L138 PolarHBondContact O-N 2.82Å; L138-G140 VanDerWaalsContact C-N 3.25Å; L138-G140 PolarHBondContact O-N 3.34Å; L138-F141 HydrophobicContact CD2-CD2 4Å; L138-F141 HydrophobicContact CD2-CE2 4.17Å; L138-F141 PolarHBondContact O-N 3.46Å; L138-V193 HydrophobicContact CD1-CG2 3.61Å; L138-V193 HydrophobicContact CG-CG2 3.78Å; L138-L195 HydrophobicContact CD1-CD2 3.59Å; L138-L209 HydrophobicContact CD1-CD2 3.6Å; L138-L212 HydrophobicContact CD2-CD1 4.48Å
139P98.8Very high98.2Very high10 Ų1046.2 Ų46.27%0.06524%0.239CC..Hα-helixtrans-58.9-37.4171.8-25.435.3000112.6M87 F141 S142 G143 Q144 M194M87-P139 HydrophobicContact CE-CB 4.28Å; M87-P139 HydrophobicContact SD-CB 4.13Å; M87-P139 HydrophobicContact SD-CG 4.25Å; P139-F141 VanDerWaalsContact C-N 3.31Å; P139-F141 PolarHBondContact O-N 2.93Å; P139-S142 PolarHBondContact O-N 3.02Å; P139-S142 VanDerWaalsContact O-N 3.13Å; P139-S142 PolarHBondContact O-OG 2.86Å; P139-G143 PolarHBondContact O-N 3.33Å; P139-Q144 CarbonylContact C-O 3.59Å; P139-Q144 HydrophobicContact CB-CB 3.75Å; P139-Q144 WeakPolarHBondContact O-CA 3.27Å; P139-Q144 WeakPolarHBondContact O-CB 3.35Å; P139-Q144 PolarHBondContact O-N 2.87Å; P139-M194 VanDerWaalsContact CD-O 3.3Å; P139-M194 WeakPolarHBondContact CD-O 3.26Å; P139-M194 HydrophobicContact CG-CE 4.32Å; P139-M194 HydrophobicContact CG-CG 4.25Å; P139-M194 HydrophobicContact CG-SD 4.06Å
140G98.6Very high98.3Very high18 Ų1849.7 Ų49.719%0.18626%0.261CS..Hα-helixtrans-58.7-38.9177.200000113.6N137 L138 S142 G143 Q144N137-G140 WeakPolarHBondContact ND2-CA 3.5Å; N137-G140 WeakPolarHBondContact O-CA 3.41Å; N137-G140 PolarHBondContact O-N 2.97Å; N137-G140 PolarHBondContact OD1-N 3.04Å; L138-G140 VanDerWaalsContact C-N 3.25Å; L138-G140 PolarHBondContact O-N 3.34Å; G140-S142 PolarHBondContact O-N 3.49Å; G140-G143 PolarHBondContact O-N 3.33Å; G140-Q144 WeakPolarHBondContact CA-O 3.41Å; G140-Q144 PolarHBondContact N-O 3.38Å
141F98.7Very high98.4Very high168 Ų16851.2 Ų51.274%0.73727%0.27SS*.Hα-helixtrans-62.9-28.4177.6-66.1-22000113.3I136 N137 L138 P139 G143I136-F141 HydrophobicContact CG2-CE2 4.31Å; N137-F141 PolarHBondContact O-N 3.16Å; L138-F141 HydrophobicContact CD2-CD2 4Å; L138-F141 HydrophobicContact CD2-CE2 4.17Å; L138-F141 PolarHBondContact O-N 3.46Å; P139-F141 VanDerWaalsContact C-N 3.31Å; P139-F141 PolarHBondContact O-N 2.93Å; F141-G143 VanDerWaalsContact C-N 3.35Å
142S98.2Very high98.4Very high95 Ų9552.9 Ų52.966%0.66428%0.279SS*.THydrogen-bonded Turntrans-92.78.1175.164.50000113.7P139 G140P139-S142 PolarHBondContact O-N 3.02Å; P139-S142 VanDerWaalsContact O-N 3.13Å; P139-S142 PolarHBondContact O-OG 2.86Å; G140-S142 PolarHBondContact O-N 3.49Å
143G97.7Very high98.3Very high29 Ų2959 Ų5930%0.29931%0.307SS..THydrogen-bonded Turntrans89.45.117800000114.8P139 G140 F141 N145 R148P139-G143 PolarHBondContact O-N 3.33Å; G140-G143 PolarHBondContact O-N 3.33Å; F141-G143 VanDerWaalsContact C-N 3.35Å; G143-N145 VanDerWaalsContact C-N 3.25Å; G143-N145 PolarHBondContact O-N 2.9Å; G143-R148 WeakPolarHBondContact O-CD 3.19Å
144Q98.3Very high98.3Very high87 Ų8759.5 Ų59.541%0.40731%0.309SS..  trans-80.378.5167.2-62.1-67.8-4.300109M87 L93 P139 G140M87-Q144 HydrophobicContact CE-CB 3.87Å; M87-Q144 HydrophobicContact CE-CG 3.92Å; L93-Q144 HydrophobicContact CD1-CB 3.99Å; L93-Q144 WeakPolarHBondContact CD1-O 3.43Å; P139-Q144 CarbonylContact C-O 3.59Å; P139-Q144 HydrophobicContact CB-CB 3.75Å; P139-Q144 WeakPolarHBondContact O-CA 3.27Å; P139-Q144 WeakPolarHBondContact O-CB 3.35Å; P139-Q144 PolarHBondContact O-N 2.87Å; G140-Q144 WeakPolarHBondContact CA-O 3.41Å; G140-Q144 PolarHBondContact N-O 3.38Å
145N98.6Very high98.3Very high52 Ų5256.7 Ų56.728%0.27829%0.293SS..  trans-122.6134.7176.8-171.5-58.3000109.3G143 L147 R148G143-N145 VanDerWaalsContact C-N 3.25Å; G143-N145 PolarHBondContact O-N 2.9Å; N145-L147 PolarHBondContact O-N 3.31Å; N145-L147 WeakPolarHBondContact OD1-CB 3.33Å; N145-L147 PolarHBondContact OD1-N 3.11Å; N145-R148 WeakPolarHBondContact O-CB 3.43Å; N145-R148 PolarHBondContact O-N 2.85Å
146P98.3Very high98.2Very high5 Ų556.1 Ų56.13%0.03229%0.294CS..THydrogen-bonded Turntrans-63.4-21.4-179.227.5-36.3000113.6L93 T97 R148 P223 I226 V227L93-P146 HydrophobicContact CB-CB 4.09Å; T97-P146 HydrophobicContact CG2-CB 3.85Å; T97-P146 HydrophobicContact CG2-CG 4.27Å; P146-R148 VanDerWaalsContact C-N 3.29Å; P146-R148 PolarHBondContact O-N 2.89Å; P146-P223 HydrophobicContact CG-CB 4.22Å; P146-I226 HydrophobicContact CG-CB 4.04Å; P146-I226 HydrophobicContact CG-CG2 3.7Å; P146-V227 HydrophobicContact CB-CG2 3.56Å; P146-V227 HydrophobicContact CG-CG2 3.65Å
147L98.4Very high98.2Very high18 Ų1858.7 Ų58.79%0.09431%0.311CS..THydrogen-bonded Turntrans-87.65.9177.8-50-179.7000113.2N145 G149 P160 I226 V227 H230N145-L147 PolarHBondContact O-N 3.31Å; N145-L147 WeakPolarHBondContact OD1-CB 3.33Å; N145-L147 PolarHBondContact OD1-N 3.11Å; L147-G149 PolarHBondContact O-N 3.35Å; L147-P160 HydrophobicContact CD1-CG 3.47Å; L147-P160 VanDerWaalsContact CD1-CG 3.47Å; L147-I226 HydrophobicContact CD1-CG2 3.63Å; L147-I226 HydrophobicContact CD2-CG2 4.43Å; L147-I226 HydrophobicContact CG-CG2 3.72Å; L147-V227 HydrophobicContact CD2-CG2 4.09Å; L147-H230 HydrophobicContact CD1-CB 4.02Å; L147-H230 HydrophobicContact CD2-CB 3.86Å
148R97.9Very high98.2Very high157 Ų15762.3 Ų62.359%0.59232%0.323SS*.  trans-66.9128.2176.7179.8179.9173.6-173.8-0.8110.1N3 G143 N145 P146N3-R148 PolarHBondContact ND2-O 3.38Å; G143-R148 WeakPolarHBondContact O-CD 3.19Å; N145-R148 WeakPolarHBondContact O-CB 3.43Å; N145-R148 PolarHBondContact O-N 2.85Å; P146-R148 VanDerWaalsContact C-N 3.29Å; P146-R148 PolarHBondContact O-N 2.89Å
149G96.9Very high98.2Very high18 Ų1868.5 Ų68.519%0.18635%0.348CS..SBendtrans125.2-173.6-178.500000111L147 R158L147-G149 PolarHBondContact O-N 3.35Å; G149-R158 PolarHBondContact O-NH1 3.18Å; G149-R158 PolarHBondContact O-NH2 3.06Å
150P97.1Very high98.2Very high79 Ų7969.6 Ų69.651%0.51336%0.355SS..SBendtrans-62.4126.2169-1826.8000111.9M1 E2M1-P150 VanDerWaalsContact O-CD 3.25Å; M1-P150 WeakPolarHBondContact O-CD 3.44Å; E2-P150 WeakPolarHBondContact CG-O 3.36Å; E2-P150 PolarHBondContact N-O 2.86Å
151N98.4Very high98.2Very high33 Ų3371.8 Ų71.818%0.17637%0.372CS..  trans-70.4145.7178.5-174.365.4000112.3E153 G156 R158 H230N151-E153 PolarHBondContact ND2-OE1 3.45Å; N151-G156 PolarHBondContact ND2-O 3.16Å; N151-G156 PolarHBondContact OD1-O 3.44Å; N151-R158 HydrophobicContact CB-CB 4.34Å; N151-R158 PolarHBondContact ND2-N 3.28Å; N151-H230 PolarHBondContact OD1-CE1 3.05Å; N151-H230 PolarHBondContact OD1-NE2 2.94Å
152D97.9Very high98.2Very high35 Ų3565.8 Ų65.819%0.18735%0.347CS..  trans-107.2106.8168-162.5-35.3000109.9R154 F155 G156D152-R154 PolarHBondContact O-N 3.22Å; D152-R154 VanDerWaalsContact OD1-CB 3.25Å; D152-R154 WeakPolarHBondContact OD1-CB 3.37Å; D152-R154 WeakPolarHBondContact OD1-CG 3.26Å; D152-R154 IonicContact OD1-CZ 3.97Å; D152-R154 PolarHBondContact OD1-N 2.91Å; D152-R154 VanDerWaalsContact OD1-N 3.09Å; D152-R154 IonicContact OD1-NE 3.8Å; D152-R154 PolarHBondContact OD1-NE 3.46Å; D152-R154 IonicContact OD1-NH2 2.83Å; D152-R154 IonicContact OD2-CZ 3.35Å; D152-R154 IonicContact OD2-NE 2.68Å; D152-R154 PolarHBondContact OD2-NE 3.37Å; D152-R154 IonicContact OD2-NH2 3.39Å; D152-R154 PolarHBondContact OD2-NH2 3.25Å; D152-F155 HydrophobicContact CB-CD2 4.2Å; D152-F155 PolarHBondContact O-N 2.99Å; D152-G156 PolarHBondContact O-N 3.42Å
153E98Very high98.2Very high127 Ų12767.1 Ų67.159%0.59336%0.356SS*.THydrogen-bonded Turntrans-62.6-14.1-177.9-59.6-63.3146.900112.9N151 F155N151-E153 PolarHBondContact ND2-OE1 3.45Å; E153-F155 PolarHBondContact O-N 3Å
154R98.4Very high98.2Very high125 Ų12569.9 Ų69.947%0.47236%0.364SS..THydrogen-bonded Turntrans-67.4-25.8172.3-64.5173.9-76.5-173.4-5.1112.6Y7 E8 D152Y7-R154 HydrophobicContact CD2-CB 3.95Å; Y7-R154 HydrophobicContact CE2-CB 3.7Å; Y7-R154 HydrophobicContact CE2-CG 4.48Å; E8-R154 IonicContact OE1-NH1 2.63Å; E8-R154 PolarHBondContact OE1-NH1 2.85Å; D152-R154 PolarHBondContact O-N 3.22Å; D152-R154 VanDerWaalsContact OD1-CB 3.25Å; D152-R154 WeakPolarHBondContact OD1-CB 3.37Å; D152-R154 WeakPolarHBondContact OD1-CG 3.26Å; D152-R154 IonicContact OD1-CZ 3.97Å; D152-R154 PolarHBondContact OD1-N 2.91Å; D152-R154 VanDerWaalsContact OD1-N 3.09Å; D152-R154 IonicContact OD1-NE 3.8Å; D152-R154 PolarHBondContact OD1-NE 3.46Å; D152-R154 IonicContact OD1-NH2 2.83Å; D152-R154 IonicContact OD2-CZ 3.35Å; D152-R154 IonicContact OD2-NE 2.68Å; D152-R154 PolarHBondContact OD2-NE 3.37Å; D152-R154 IonicContact OD2-NH2 3.39Å; D152-R154 PolarHBondContact OD2-NH2 3.25Å
155F98.4Very high98.2Very high12 Ų1265.9 Ų65.95%0.05335%0.346CS..THydrogen-bonded Turntrans-91.9-47173.6-72.6-59.5000111.6Y7 Y10 R101 L105 D152 E153 C231Y7-F155 HydrophobicContact CD2-CD2 4.32Å; Y7-F155 HydrophobicContact CD2-CE1 4.3Å; Y7-F155 AromaticContact CD2-CE2 3.65Å; Y7-F155 HydrophobicContact CD2-CE2 3.65Å; Y7-F155 AromaticContact CD2-CZ 3.63Å; Y7-F155 HydrophobicContact CD2-CZ 3.63Å; Y7-F155 HydrophobicContact CE2-CE1 4.17Å; Y7-F155 HydrophobicContact CE2-CE2 4.3Å; Y7-F155 AromaticContact CE2-CZ 3.94Å; Y7-F155 HydrophobicContact CE2-CZ 3.94Å; Y10-F155 AromaticContact CD2-CE2 3.79Å; Y10-F155 HydrophobicContact CD2-CE2 3.79Å; Y10-F155 AromaticContact CD2-CZ 3.67Å; Y10-F155 HydrophobicContact CD2-CZ 3.67Å; Y10-F155 HydrophobicContact CE2-CE2 4.11Å; Y10-F155 HydrophobicContact CE2-CZ 4.34Å; Y10-F155 HydrophobicContact CG-CE2 4.47Å; Y10-F155 AromaticContact CG-CZ 3.91Å; Y10-F155 HydrophobicContact CG-CZ 3.91Å; R101-F155 HydrophobicContact CB-CE1 3.92Å; R101-F155 HydrophobicContact CB-CZ 4.06Å; R101-F155 HydrophobicContact CG-CD1 4.04Å; R101-F155 HydrophobicContact CG-CE1 3.86Å; R101-F155 HydrophobicContact CG-CE2 4.39Å; R101-F155 HydrophobicContact CG-CG 4.4Å; R101-F155 HydrophobicContact CG-CZ 4.05Å; L105-F155 HydrophobicContact CD1-CE1 4.27Å; L105-F155 HydrophobicContact CD1-CZ 4.4Å; L105-F155 HydrophobicContact CD2-CE1 4.32Å; L105-F155 HydrophobicContact CG-CE1 4.22Å; D152-F155 HydrophobicContact CB-CD2 4.2Å; D152-F155 PolarHBondContact O-N 2.99Å; E153-F155 PolarHBondContact O-N 3Å; F155-C231 HydrophobicContact CB-CB 4.3Å; F155-C231 HydrophobicContact CD1-CB 4.4Å; F155-C231 VanDerWaalsContact O-CA 3.24Å; F155-C231 WeakPolarHBondContact O-CA 3.46Å; F155-C231 WeakPolarHBondContact O-CB 3.16Å
156G98.1Very high98.2Very high12 Ų1263.7 Ų63.712%0.12433%0.334CS..  trans178.8178.4-176.200000113.7N151 D152 H230N151-G156 PolarHBondContact ND2-O 3.16Å; N151-G156 PolarHBondContact OD1-O 3.44Å; D152-G156 PolarHBondContact O-N 3.42Å; G156-H230 VanDerWaalsContact C-NE2 3.34Å; G156-H230 WeakPolarHBondContact CA-O 3.48Å; G156-H230 PolarHBondContact O-NE2 3.09Å
157V98.4Very high98.2Very high85 Ų8565.2 Ų65.252%0.51534%0.341SS..  trans-67.8155.1-176.3-61.20000112.5F159 P160 H230V157-F159 VanDerWaalsContact C-N 3.29Å; V157-F159 PolarHBondContact O-N 3.44Å; V157-P160 HydrophobicContact CG2-CB 4.2Å; V157-H230 PolarHBondContact O-CD2 3.29Å; V157-H230 PolarHBondContact O-NE2 3.4Å; V157-H230 VanDerWaalsContact O-NE2 3.16Å
158R98.3Very high98.1Very high95 Ų9572.4 Ų72.436%0.35837%0.367SS..SBendtrans-57.9-37.1178.317858-170.8170.6-9.5114.7G149 N151G149-R158 PolarHBondContact O-NH1 3.18Å; G149-R158 PolarHBondContact O-NH2 3.06Å; N151-R158 HydrophobicContact CB-CB 4.34Å; N151-R158 PolarHBondContact ND2-N 3.28Å
159F98.5Very high97.9Very high178 Ų17868.2 Ų68.278%0.78136%0.359SS*.SBendtrans-126.577.4-174.2-57.3-69.3000110.1V157V157-F159 VanDerWaalsContact C-N 3.29Å; V157-F159 PolarHBondContact O-N 3.44Å
160P98.4Very high97.8Very high33 Ų3367.6 Ų67.621%0.21435%0.352CS..  trans-72.8138179.530.7-34.3000110.7L147 V157 M162 H230L147-P160 HydrophobicContact CD1-CG 3.47Å; L147-P160 VanDerWaalsContact CD1-CG 3.47Å; V157-P160 HydrophobicContact CG2-CB 4.2Å; P160-M162 HydrophobicContact CB-CE 4.02Å; P160-M162 HydrophobicContact CG-CE 3.86Å; P160-H230 HydrophobicContact CG-CB 4.29Å
161A98.5Very high97.7Very high65 Ų6565.6 Ų65.654%0.53733%0.334SS..  trans-73.8148.3170.400000110.5
162M98.8Very high97.5Very high41 Ų4168.6 Ų68.620%0.20235%0.347CS..  trans-121.6-0.1176.8-65.1-66.7155.500113P160 D164 A165 I226 R229P160-M162 HydrophobicContact CB-CE 4.02Å; P160-M162 HydrophobicContact CG-CE 3.86Å; M162-D164 PolarHBondContact O-N 2.98Å; M162-D164 VanDerWaalsContact O-N 3.09Å; M162-A165 HydrophobicContact CB-CB 4.39Å; M162-A165 WeakPolarHBondContact O-CB 3.44Å; M162-A165 PolarHBondContact O-N 3.38Å; M162-A165 HydrophobicContact SD-CB 4.3Å; M162-I226 HydrophobicContact CE-CB 4.21Å; M162-I226 HydrophobicContact CE-CG1 4.3Å; M162-I226 HydrophobicContact CE-CG2 3.98Å; M162-I226 WeakPolarHBondContact CE-O 3.4Å; M162-I226 HydrophobicContact SD-CG1 4.17Å; M162-R229 HydrophobicContact CE-CB 3.84Å; M162-R229 HydrophobicContact SD-CB 3.78Å; M162-R229 HydrophobicContact SD-CG 4.12Å
163S98.6Very high97.2Very high123 Ų12372 Ų7286%0.8636%0.357SS*.THydrogen-bonded Turntrans-63.3-15178.651.60000113.7
164D98.2Very high96.9Very high88 Ų8866 Ų6647%0.47133%0.329SS..THydrogen-bonded Turntrans-118.320.6176.972.4-20.5000112M162 Y166 R229M162-D164 PolarHBondContact O-N 2.98Å; M162-D164 VanDerWaalsContact O-N 3.09Å; D164-Y166 VanDerWaalsContact C-N 3.28Å; D164-Y166 PolarHBondContact O-N 3.15Å; D164-R229 IonicContact OD1-NE 2.98Å; D164-R229 IonicContact OD1-NH2 2.75Å; D164-R229 PolarHBondContact OD1-NH2 3.06Å; D164-R229 IonicContact OD2-NH2 2.74Å; D164-R229 PolarHBondContact OD2-NH2 3.35Å
165A98.7Very high96.6Very high2 Ų262.8 Ų62.82%0.01732%0.321CS..  trans-58.9-36.6-170.200000113.5M162 V225 R229 V235M162-A165 HydrophobicContact CB-CB 4.39Å; M162-A165 WeakPolarHBondContact O-CB 3.44Å; M162-A165 PolarHBondContact O-N 3.38Å; M162-A165 HydrophobicContact SD-CB 4.3Å; A165-V225 HydrophobicContact CB-CG1 4Å; A165-R229 HydrophobicContact CB-CG 4.01Å; A165-R229 WeakPolarHBondContact O-CD 3.22Å; A165-V235 WeakPolarHBondContact O-CB 3.3Å
166Y98.7Very high96.3Very high7 Ų765.4 Ų65.43%0.02734%0.341CS..SBendtrans-105.6113.9-179.1-59.2-85.7000111I132 H135 D164 R168 R171 V225 V235I132-Y166 HydrophobicContact CB-CD1 4.07Å; I132-Y166 HydrophobicContact CB-CE1 3.83Å; I132-Y166 HydrophobicContact CD1-CE1 4.48Å; I132-Y166 HydrophobicContact CG2-CD1 3.95Å; I132-Y166 HydrophobicContact CG2-CD2 4.19Å; I132-Y166 HydrophobicContact CG2-CE1 3.45Å; I132-Y166 VanDerWaalsContact CG2-CE1 3.45Å; I132-Y166 HydrophobicContact CG2-CE2 3.72Å; I132-Y166 HydrophobicContact CG2-CG 4.29Å; I132-Y166 WeakPolarHBondContact O-CB 3.48Å; I132-Y166 WeakPolarHBondContact O-CD1 3.43Å; H135-Y166 HydrophobicContact CB-CE2 4.12Å; H135-Y166 AromaticContact ND1-CE2 3.34Å; H135-Y166 VanDerWaalsContact ND1-CE2 3.34Å; H135-Y166 WeakPolarHBondContact ND1-CE2 3.48Å; H135-Y166 AromaticContact ND1-CZ 3.52Å; H135-Y166 PolarHBondContact ND1-OH 2.85Å; D164-Y166 VanDerWaalsContact C-N 3.28Å; D164-Y166 PolarHBondContact O-N 3.15Å; Y166-R168 PolarHBondContact O-N 3.44Å; Y166-R168 VanDerWaalsContact O-N 3.14Å; Y166-R171 PolarHBondContact O-NE 3Å; Y166-V225 HydrophobicContact CE1-CG1 4.26Å; Y166-V225 HydrophobicContact CE1-CG2 3.98Å; Y166-V225 HydrophobicContact CE2-CG1 4.48Å; Y166-V235 HydrophobicContact CD1-CG1 4.28Å; Y166-V235 HydrophobicContact CE1-CG1 4.4Å
167D97.8Very high95.8Very high37 Ų3767.3 Ų67.320%0.19835%0.347CS..  trans-56.2117.3-169.2-175.5-80.8000112T169 M170 R171 R234 V235D167-T169 VanDerWaalsContact C-N 3.31Å; D167-T169 PolarHBondContact O-N 2.94Å; D167-T169 WeakPolarHBondContact OD1-CA 3.47Å; D167-T169 VanDerWaalsContact OD1-CB 3.27Å; D167-T169 WeakPolarHBondContact OD1-CB 3.34Å; D167-T169 PolarHBondContact OD1-N 3.44Å; D167-M170 HydrophobicContact CB-CB 4.21Å; D167-M170 HydrophobicContact CB-CG 4.19Å; D167-M170 HydrophobicContact CB-SD 4.36Å; D167-M170 PolarHBondContact O-N 3.29Å; D167-M170 WeakPolarHBondContact OD1-CG 3.43Å; D167-M170 PolarHBondContact OD1-N 2.63Å; D167-R171 WeakPolarHBondContact O-CG 3.47Å; D167-R171 PolarHBondContact O-N 3.32Å; D167-R171 VanDerWaalsContact O-N 3.12Å; D167-R234 HydrophobicContact CB-CG 3.71Å; D167-R234 WeakPolarHBondContact OD2-CG 3.3Å; D167-R234 IonicContact OD2-NE 3.32Å; D167-V235 WeakPolarHBondContact CB-O 3.32Å; D167-V235 PolarHBondContact N-O 2.79Å
168R96.8Very high95.4Very high168 Ų16864 Ų6463%0.63433%0.325SS*.Hα-helixtrans-61.5-39.3-177.3-177.5-179.1-178.61733112.2Y166 R171 Q172Y166-R168 PolarHBondContact O-N 3.44Å; Y166-R168 VanDerWaalsContact O-N 3.14Å; R168-R171 PolarHBondContact O-N 2.94Å; R168-Q172 HydrophobicContact CG-CG 4.49Å; R168-Q172 WeakPolarHBondContact O-CB 3.27Å; R168-Q172 VanDerWaalsContact O-CG 3.31Å; R168-Q172 WeakPolarHBondContact O-CG 3.42Å; R168-Q172 PolarHBondContact O-N 3.25Å
169T94.2Very high95Very high70 Ų7067.6 Ų67.643%0.42934%0.344SS..Hα-helixtrans-67.6-45.3-176.4-560000110.4D167 Q172 R173D167-T169 VanDerWaalsContact C-N 3.31Å; D167-T169 PolarHBondContact O-N 2.94Å; D167-T169 WeakPolarHBondContact OD1-CA 3.47Å; D167-T169 VanDerWaalsContact OD1-CB 3.27Å; D167-T169 WeakPolarHBondContact OD1-CB 3.34Å; D167-T169 PolarHBondContact OD1-N 3.44Å; T169-Q172 PolarHBondContact O-N 3.01Å; T169-R173 WeakPolarHBondContact O-CB 3.23Å; T169-R173 WeakPolarHBondContact O-CG 3.36Å; T169-R173 PolarHBondContact O-N 3.16Å
170M93.8Very high94.5Very high4 Ų466.7 Ų66.72%0.0234%0.342CS..Hα-helixtrans-63.4-42177-68.5-172.869.700111.6T110 D167 R173 A174 R234 F236 L278 I282T110-M170 HydrophobicContact CG2-CE 4.12Å; T110-M170 HydrophobicContact CG2-SD 4.03Å; D167-M170 HydrophobicContact CB-CB 4.21Å; D167-M170 HydrophobicContact CB-CG 4.19Å; D167-M170 HydrophobicContact CB-SD 4.36Å; D167-M170 PolarHBondContact O-N 3.29Å; D167-M170 WeakPolarHBondContact OD1-CG 3.43Å; D167-M170 PolarHBondContact OD1-N 2.63Å; M170-R173 PolarHBondContact O-N 3.18Å; M170-A174 WeakPolarHBondContact O-CB 3.48Å; M170-A174 PolarHBondContact O-N 3.25Å; M170-R234 WeakPolarHBondContact SD-CD 3.4Å; M170-R234 HydrophobicContact SD-CG 3.92Å; M170-F236 HydrophobicContact CB-CB 4.35Å; M170-F236 HydrophobicContact CB-CD2 3.57Å; M170-F236 HydrophobicContact CB-CE2 4.26Å; M170-F236 HydrophobicContact CB-CG 4.33Å; M170-F236 HydrophobicContact CE-CB 3.53Å; M170-F236 HydrophobicContact CE-CD2 4.31Å; M170-F236 HydrophobicContact CE-CG 4Å; M170-F236 HydrophobicContact SD-CB 3.88Å; M170-L278 HydrophobicContact CE-CD2 4.07Å; M170-L278 HydrophobicContact CE-CG 4.13Å; M170-I282 HydrophobicContact CE-CD1 4.18Å; M170-I282 HydrophobicContact CE-CG1 3.61Å
171R95.1Very high93.7Very high37 Ų3769 Ų6914%0.1435%0.35CS..Hα-helixtrans-60.5-48.2174.8-71.5-175.7-63.5108.9-5.9112.6L131 Y166 D167 R168 R173 A174 L175 E189 F236L131-R171 HydrophobicContact CD1-CB 4.44Å; Y166-R171 PolarHBondContact O-NE 3Å; D167-R171 WeakPolarHBondContact O-CG 3.47Å; D167-R171 PolarHBondContact O-N 3.32Å; D167-R171 VanDerWaalsContact O-N 3.12Å; R168-R171 PolarHBondContact O-N 2.94Å; R171-R173 VanDerWaalsContact C-N 3.34Å; R171-R173 PolarHBondContact O-N 3.14Å; R171-A174 PolarHBondContact O-N 3.42Å; R171-L175 WeakPolarHBondContact O-CG 3.24Å; R171-L175 PolarHBondContact O-N 2.68Å; R171-E189 IonicContact CZ-OE1 3.75Å; R171-E189 IonicContact NH1-OE1 2.71Å; R171-E189 PolarHBondContact NH1-OE1 3.32Å; R171-F236 HydrophobicContact CG-CD2 4.27Å; R171-F236 HydrophobicContact CG-CE2 4.18Å
172Q94.3Very high92.9Very high97 Ų9768.7 Ų68.745%0.45335%0.354SS..Hα-helixtrans-61.4-40.6178.2-73.8178.5-20.200112.7R168 T169 S176R168-Q172 HydrophobicContact CG-CG 4.49Å; R168-Q172 WeakPolarHBondContact O-CB 3.27Å; R168-Q172 VanDerWaalsContact O-CG 3.31Å; R168-Q172 WeakPolarHBondContact O-CG 3.42Å; R168-Q172 PolarHBondContact O-N 3.25Å; T169-Q172 PolarHBondContact O-N 3.01Å; Q172-S176 WeakPolarHBondContact O-CB 3.34Å; Q172-S176 PolarHBondContact O-N 3.05Å; Q172-S176 PolarHBondContact O-OG 2.92Å
173R91.9Very high92Very high107 Ų10769.6 Ų69.640%0.40436%0.358SS..Hα-helixtrans-65.2-45.8175.5-72.9178.5-179.5-168.7-4.2111.8T169 M170 R171 L175 S176 M177 S281T169-R173 WeakPolarHBondContact O-CB 3.23Å; T169-R173 WeakPolarHBondContact O-CG 3.36Å; T169-R173 PolarHBondContact O-N 3.16Å; M170-R173 PolarHBondContact O-N 3.18Å; R171-R173 VanDerWaalsContact C-N 3.34Å; R171-R173 PolarHBondContact O-N 3.14Å; R173-L175 PolarHBondContact O-N 2.74Å; R173-S176 PolarHBondContact O-N 2.95Å; R173-M177 WeakPolarHBondContact O-CB 3.49Å; R173-M177 WeakPolarHBondContact O-CG 3.4Å; R173-M177 PolarHBondContact O-N 2.9Å; R173-S281 WeakPolarHBondContact CB-OG 3.35Å; R173-S281 PolarHBondContact NH1-O 2.78Å
174A91.8Very high91.3Very high1 Ų173.3 Ų73.31%0.00836%0.362CS..Hα-helixtrans-58-47.3177.700000111.9L131 M170 R171 S176 M177 W178 L187 F236L131-A174 HydrophobicContact CD1-CB 3.93Å; M170-A174 WeakPolarHBondContact O-CB 3.48Å; M170-A174 PolarHBondContact O-N 3.25Å; R171-A174 PolarHBondContact O-N 3.42Å; A174-S176 PolarHBondContact O-N 3.47Å; A174-M177 PolarHBondContact O-N 3.21Å; A174-W178 VanDerWaalsContact O-CB 3.28Å; A174-W178 WeakPolarHBondContact O-CB 3.48Å; A174-W178 PolarHBondContact O-N 3.2Å; A174-L187 HydrophobicContact CB-CD2 4.41Å; A174-F236 HydrophobicContact CB-CE2 3.87Å; A174-F236 HydrophobicContact CB-CZ 3.8Å
175L92.2Very high90.8Very high57 Ų5773.5 Ų73.530%0.29836%0.356SS..Hα-helixtrans-59.7-45175.5-70.7167.1000112.3L131 R171 R173 K179 L187L131-L175 HydrophobicContact CD1-CD2 4.15Å; L131-L175 HydrophobicContact CD1-CG 3.92Å; R171-L175 WeakPolarHBondContact O-CG 3.24Å; R171-L175 PolarHBondContact O-N 2.68Å; R173-L175 PolarHBondContact O-N 2.74Å; L175-K179 PolarHBondContact O-N 3.16Å; L175-K179 VanDerWaalsContact O-N 3.14Å; L175-L187 HydrophobicContact CD2-CB 4.23Å; L175-L187 HydrophobicContact CD2-CD2 4.25Å
176S91.3Very high90.5Very high66 Ų6680.5 Ų80.546%0.46239%0.388SS..Hα-helixtrans-65.2-45.1-178.7-58.30000112Q172 R173 A174 K179 Q180Q172-S176 WeakPolarHBondContact O-CB 3.34Å; Q172-S176 PolarHBondContact O-N 3.05Å; Q172-S176 PolarHBondContact O-OG 2.92Å; R173-S176 PolarHBondContact O-N 2.95Å; A174-S176 PolarHBondContact O-N 3.47Å; S176-K179 PolarHBondContact O-N 2.72Å; S176-Q180 WeakPolarHBondContact O-CG 3.47Å; S176-Q180 PolarHBondContact O-N 3.44Å; S176-Q180 VanDerWaalsContact O-N 3.14Å
177M88.4Confident90.3Very high52 Ų5280.9 Ų80.926%0.25639%0.391SS..Hα-helixtrans-71-38.1-179.3-69.8179.467.100111.9R173 A174 K179 Q180 M181 I277 A280 S281R173-M177 WeakPolarHBondContact O-CB 3.49Å; R173-M177 WeakPolarHBondContact O-CG 3.4Å; R173-M177 PolarHBondContact O-N 2.9Å; A174-M177 PolarHBondContact O-N 3.21Å; M177-K179 VanDerWaalsContact C-N 3.31Å; M177-K179 PolarHBondContact O-N 3.35Å; M177-Q180 WeakPolarHBondContact O-CB 3.24Å; M177-Q180 PolarHBondContact O-N 2.89Å; M177-Q180 VanDerWaalsContact O-N 3.15Å; M177-M181 WeakPolarHBondContact O-CG 3.23Å; M177-M181 PolarHBondContact O-N 3.45Å; M177-M181 VanDerWaalsContact O-N 3.12Å; M177-I277 HydrophobicContact CB-CB 4.31Å; M177-I277 HydrophobicContact CB-CD1 4.29Å; M177-I277 HydrophobicContact CB-CG1 3.98Å; M177-I277 HydrophobicContact CB-CG2 3.49Å; M177-I277 VanDerWaalsContact CB-CG2 3.49Å; M177-I277 HydrophobicContact CE-CB 4.01Å; M177-I277 HydrophobicContact CE-CG1 4.07Å; M177-I277 HydrophobicContact CE-CG2 3.88Å; M177-I277 HydrophobicContact CG-CG2 4.16Å; M177-I277 HydrophobicContact SD-CG2 3.72Å; M177-A280 HydrophobicContact CE-CB 4.09Å; M177-S281 PolarHBondContact SD-OG 2.88Å
178W89.5Confident90.3Very high15 Ų1580.7 Ų80.76%0.05739%0.389CS..Hα-helixtrans-58.1-44.8173.1-171.1-89.9000111.7I129 A174 Q180 M181 E183 R185 L187 K270 L274 I277I129-W178 HydrophobicContact CD1-CH2 4.28Å; A174-W178 VanDerWaalsContact O-CB 3.28Å; A174-W178 WeakPolarHBondContact O-CB 3.48Å; A174-W178 PolarHBondContact O-N 3.2Å; W178-Q180 VanDerWaalsContact C-N 3.31Å; W178-Q180 PolarHBondContact O-N 3.33Å; W178-M181 PolarHBondContact O-N 3.27Å; W178-E183 HydrophobicContact CD2-CG 4.45Å; W178-E183 HydrophobicContact CH2-CG 4.25Å; W178-E183 HydrophobicContact CZ2-CB 3.91Å; W178-E183 HydrophobicContact CZ2-CG 3.82Å; W178-R185 PolarHBondContact NE1-O 3.39Å; W178-L187 HydrophobicContact CB-CB 4.27Å; W178-L187 HydrophobicContact CB-CD2 4.21Å; W178-L187 HydrophobicContact CD2-CB 4.12Å; W178-L187 HydrophobicContact CD2-CD1 4.02Å; W178-L187 HydrophobicContact CD2-CG 4.49Å; W178-L187 HydrophobicContact CE3-CD1 4.1Å; W178-L187 HydrophobicContact CG-CB 3.77Å; W178-L187 HydrophobicContact CG-CD1 4.49Å; W178-L187 HydrophobicContact CG-CD2 4.35Å; W178-L187 HydrophobicContact CG-CG 4.46Å; W178-L187 HydrophobicContact CZ3-CD1 4.42Å; W178-K270 HydrophobicContact CH2-CB 4.4Å; W178-L274 HydrophobicContact CE3-CD1 4.14Å; W178-L274 HydrophobicContact CZ3-CB 4.22Å; W178-L274 HydrophobicContact CZ3-CD1 4.42Å; W178-I277 HydrophobicContact CE3-CD1 4.03Å
179K89.1Confident90.3Very high172 Ų17275.7 Ų75.775%0.74837%0.372SS*.Hα-helixtrans-62-37.3176.1-172.3173-177.2172.40112.6L175 S176 M177 M181 G182L175-K179 PolarHBondContact O-N 3.16Å; L175-K179 VanDerWaalsContact O-N 3.14Å; S176-K179 PolarHBondContact O-N 2.72Å; M177-K179 VanDerWaalsContact C-N 3.31Å; M177-K179 PolarHBondContact O-N 3.35Å; K179-M181 VanDerWaalsContact C-N 3.29Å; K179-M181 PolarHBondContact O-N 3.05Å; K179-G182 PolarHBondContact O-N 3.39Å
180Q87.6Confident90.6Very high158 Ų15872.3 Ų72.374%0.73835%0.352SS*.Hα-helixtrans-68.5-27.2178-72.3171.16.600113.1S176 M177 W178 G182S176-Q180 WeakPolarHBondContact O-CG 3.47Å; S176-Q180 PolarHBondContact O-N 3.44Å; S176-Q180 VanDerWaalsContact O-N 3.14Å; M177-Q180 WeakPolarHBondContact O-CB 3.24Å; M177-Q180 PolarHBondContact O-N 2.89Å; M177-Q180 VanDerWaalsContact O-N 3.15Å; W178-Q180 VanDerWaalsContact C-N 3.31Å; W178-Q180 PolarHBondContact O-N 3.33Å; Q180-G182 PolarHBondContact O-N 3.5Å
181M83.4Confident90.8Very high81 Ų8172.8 Ų72.840%0.39936%0.355SS..Hα-helixtrans-72.3-14.7176.3-70-176.258.700113.4M177 W178 K179 E183 Q273 I277M177-M181 WeakPolarHBondContact O-CG 3.23Å; M177-M181 PolarHBondContact O-N 3.45Å; M177-M181 VanDerWaalsContact O-N 3.12Å; W178-M181 PolarHBondContact O-N 3.27Å; K179-M181 VanDerWaalsContact C-N 3.29Å; K179-M181 PolarHBondContact O-N 3.05Å; M181-E183 VanDerWaalsContact C-N 3.32Å; M181-E183 HydrophobicContact CB-CG 4.37Å; M181-E183 PolarHBondContact O-N 3.42Å; M181-Q273 HydrophobicContact CE-CB 3.77Å; M181-Q273 HydrophobicContact CE-CG 3.77Å; M181-I277 HydrophobicContact CG-CD1 4.43Å; M181-I277 HydrophobicContact SD-CD1 3.23Å; M181-I277 WeakPolarHBondContact SD-CD1 3.32Å; M181-I277 HydrophobicContact SD-CG1 3.67Å
182G81.4Confident91Very high60 Ų6071 Ų7162%0.61935%0.348SS*.THydrogen-bonded Turntrans72.723.1177.100000114.2K179 Q180K179-G182 PolarHBondContact O-N 3.39Å; Q180-G182 PolarHBondContact O-N 3.5Å
183E80.4Confident91.2Very high60 Ų6066.4 Ų66.428%0.2833%0.327SS..  trans-60.4135.4175.9-72.2-63.8152.400111W178 M181 R185 Q273W178-E183 HydrophobicContact CD2-CG 4.45Å; W178-E183 HydrophobicContact CH2-CG 4.25Å; W178-E183 HydrophobicContact CZ2-CB 3.91Å; W178-E183 HydrophobicContact CZ2-CG 3.82Å; M181-E183 VanDerWaalsContact C-N 3.32Å; M181-E183 HydrophobicContact CB-CG 4.37Å; M181-E183 PolarHBondContact O-N 3.42Å; E183-R185 VanDerWaalsContact C-N 3.32Å; E183-R185 PolarHBondContact O-N 3.42Å; E183-Q273 PolarHBondContact OE1-NE2 3.05Å; E183-Q273 PolarHBondContact OE1-OE1 3.07Å
184Q82.3Confident91.5Very high200 Ų20061.5 Ų61.594%0.93531%0.308SS*.SBendtrans-67.1-34.3-176.3-67.9-173.9-900112.7
185R89.3Confident91.9Very high93 Ų9363.3 Ų63.335%0.35132%0.317SS..SBendtrans-96.5121.7177.9-169.867177.1169.87.4108.7K123 D128 W178 E183K123-R185 PolarHBondContact O-NH2 3.05Å; D128-R185 WeakPolarHBondContact OD1-CG 3.26Å; D128-R185 IonicContact OD1-CZ 3.45Å; D128-R185 IonicContact OD1-NE 3.33Å; D128-R185 PolarHBondContact OD1-NE 3.27Å; D128-R185 IonicContact OD1-NH2 3.66Å; D128-R185 IonicContact OD2-CZ 3.93Å; D128-R185 IonicContact OD2-NE 2.89Å; D128-R185 PolarHBondContact OD2-NE 2.9Å; D128-R185 IonicContact OD2-NH2 2.71Å; D128-R185 PolarHBondContact OD2-NH2 3.04Å; W178-R185 PolarHBondContact NE1-O 3.39Å; E183-R185 VanDerWaalsContact C-N 3.32Å; E183-R185 PolarHBondContact O-N 3.42Å
186E92Very high92.2Very high149 Ų14962.4 Ų62.470%0.69632%0.319SS*.PPolyproline II helixtrans-65.6148.7176.9-64.7-167.6155.100111.4Q188E186-Q188 PolarHBondContact O-N 3.45Å; E186-Q188 PolarHBondContact O-NE2 3.02Å
187L93.4Very high92.4Very high15 Ų1560.7 Ų60.78%0.07931%0.311CS..PPolyproline II helixtrans-68126.8170.5-161.167.6000108.7I129 L131 A174 L175 W178 L274I129-L187 HydrophobicContact CB-CD1 3.78Å; I129-L187 HydrophobicContact CG2-CD1 3.84Å; L131-L187 HydrophobicContact CD1-CD2 3.62Å; L131-L187 HydrophobicContact CD1-CG 4.41Å; L131-L187 HydrophobicContact CD2-CD2 3.76Å; L131-L187 HydrophobicContact CD2-CG 4.26Å; L131-L187 HydrophobicContact CG-CD2 3.57Å; L131-L187 HydrophobicContact CG-CG 3.93Å; A174-L187 HydrophobicContact CB-CD2 4.41Å; L175-L187 HydrophobicContact CD2-CB 4.23Å; L175-L187 HydrophobicContact CD2-CD2 4.25Å; W178-L187 HydrophobicContact CB-CB 4.27Å; W178-L187 HydrophobicContact CB-CD2 4.21Å; W178-L187 HydrophobicContact CD2-CB 4.12Å; W178-L187 HydrophobicContact CD2-CD1 4.02Å; W178-L187 HydrophobicContact CD2-CG 4.49Å; W178-L187 HydrophobicContact CE3-CD1 4.1Å; W178-L187 HydrophobicContact CG-CB 3.77Å; W178-L187 HydrophobicContact CG-CD1 4.49Å; W178-L187 HydrophobicContact CG-CD2 4.35Å; W178-L187 HydrophobicContact CG-CG 4.46Å; W178-L187 HydrophobicContact CZ3-CD1 4.42Å; L187-L274 HydrophobicContact CD1-CD1 4.33Å; L187-L274 HydrophobicContact CD2-CD1 4.22Å
188Q97.5Very high92.7Very high33 Ų3362.8 Ų62.815%0.15433%0.329CS..EExtended strand (participates in β ladder)trans-80.9160178.9-52.7-56.9-50.100109.8F124 D128 I129 M130 L131 E186F124-Q188 HydrophobicContact CD1-CB 4.04Å; F124-Q188 HydrophobicContact CD1-CG 3.71Å; F124-Q188 HydrophobicContact CE1-CB 3.56Å; F124-Q188 HydrophobicContact CE1-CG 3.76Å; F124-Q188 HydrophobicContact CG-CG 4.46Å; F124-Q188 HydrophobicContact CZ-CB 3.92Å; D128-Q188 HydrophobicContact CB-CG 4Å; I129-Q188 PolarHBondContact O-N 3.21Å; M130-Q188 CarbonylContact C-O 3.6Å; M130-Q188 WeakPolarHBondContact CA-O 3.49Å; M130-Q188 HydrophobicContact CB-CB 4.07Å; M130-Q188 HydrophobicContact CG-CB 4.18Å; L131-Q188 PolarHBondContact N-O 3.24Å; E186-Q188 PolarHBondContact O-N 3.45Å; E186-Q188 PolarHBondContact O-NE2 3.02Å
189E98.4Very high93.1Very high62 Ų6266.6 Ų66.629%0.2936%0.357SS..EExtended strand (participates in β ladder)trans-142.8133.4172.9-176.3177.6-134.600109.2L131 R133 R171L131-E189 HydrophobicContact CB-CB 4.38Å; L131-E189 HydrophobicContact CB-CG 4.28Å; L131-E189 WeakPolarHBondContact O-CA 3.32Å; R133-E189 HydrophobicContact CB-CG 3.72Å; R133-E189 HydrophobicContact CG-CG 4.42Å; R171-E189 IonicContact CZ-OE1 3.75Å; R171-E189 IonicContact NH1-OE1 2.71Å; R171-E189 PolarHBondContact NH1-OE1 3.32Å
190G98.8Very high93.5Very high0 Ų062 Ų620%034%0.338CS..EExtended strand (participates in β ladder)trans-168.4-174.3-17400000115.1L131 R133 D215L131-G190 PolarHBondContact O-N 3.04Å; R133-G190 PolarHBondContact N-O 3.46Å; G190-D215 WeakPolarHBondContact CA-OD2 3.35Å
191T98.9Very high94Very high14 Ų1456 Ų569%0.08631%0.31CS..EExtended strand (participates in β ladder)trans-98124.5179.3-51.30000110.5D134 I136 D215 A216D134-T191 HydrophobicContact CB-CG2 4.36Å; D134-T191 WeakPolarHBondContact O-CA 3.34Å; I136-T191 HydrophobicContact CD1-CG2 4.18Å; I136-T191 HydrophobicContact CG1-CG2 3.91Å; T191-D215 PolarHBondContact N-OD2 3.12Å; T191-D215 PolarHBondContact O-N 2.97Å; T191-A216 PolarHBondContact O-N 2.7Å
192Y98.9Very high94.7Very high0 Ų055.8 Ų55.80%031%0.313CS..EExtended strand (participates in β ladder)trans-91.4126.5175.7177.5-92.7000111.1N115 A117 I132 D134 H135 I136 M194 A216 G218 M219 S220 V222 S239N115-Y192 WeakPolarHBondContact OD1-CE2 3.4Å; A117-Y192 HydrophobicContact CB-CD2 4.41Å; A117-Y192 HydrophobicContact CB-CE2 4.06Å; I132-Y192 HydrophobicContact CD1-CG 4.47Å; D134-Y192 PolarHBondContact O-N 3.1Å; H135-Y192 CarbonylContact C-O 3.5Å; H135-Y192 WeakPolarHBondContact CA-O 3.41Å; H135-Y192 VanDerWaalsContact CB-O 3.27Å; H135-Y192 WeakPolarHBondContact CB-O 3.37Å; I136-Y192 PolarHBondContact N-O 2.81Å; Y192-M194 HydrophobicContact CE1-CB 4.15Å; Y192-A216 CarbonylContact C-O 3.53Å; Y192-A216 WeakPolarHBondContact CA-O 3.5Å; Y192-A216 HydrophobicContact CD2-CB 4.48Å; Y192-G218 WeakPolarHBondContact OH-CA 3.43Å; Y192-M219 PolarHBondContact OH-N 3.45Å; Y192-S220 WeakPolarHBondContact CE1-O 3.15Å; Y192-S220 PolarHBondContact OH-N 3.28Å; Y192-S220 PolarHBondContact OH-O 3.07Å; Y192-V222 HydrophobicContact CD1-CG2 3.82Å; Y192-V222 HydrophobicContact CE1-CG2 3.97Å; Y192-S239 WeakPolarHBondContact CD2-OG 3.48Å
193V98.9Very high95.5Very high0 Ų053.9 Ų53.90%029%0.289CS..EExtended strand (participates in β ladder)trans-102.7130.4171.364.40000111L120 I136 L138 L209 A214 A216 V217 G218L120-V193 HydrophobicContact CD1-CG1 4.13Å; I136-V193 HydrophobicContact CB-CB 4.08Å; I136-V193 HydrophobicContact CB-CG2 3.82Å; I136-V193 HydrophobicContact CG2-CG2 3.96Å; L138-V193 HydrophobicContact CD1-CG2 3.61Å; L138-V193 HydrophobicContact CG-CG2 3.78Å; V193-L209 HydrophobicContact CG1-CB 4.37Å; V193-L209 HydrophobicContact CG1-CD1 4.11Å; V193-L209 HydrophobicContact CG1-CD2 4.08Å; V193-L209 HydrophobicContact CG1-CG 4.42Å; V193-L209 HydrophobicContact CG2-CD2 4.03Å; V193-A214 HydrophobicContact CB-CB 3.69Å; V193-A214 HydrophobicContact CG1-CB 3.41Å; V193-A214 VanDerWaalsContact CG1-CB 3.41Å; V193-A216 PolarHBondContact N-O 3.28Å; V193-V217 HydrophobicContact CG1-CB 3.75Å; V193-V217 HydrophobicContact CG1-CG2 3.89Å; V193-V217 WeakPolarHBondContact O-CA 3.44Å; V193-G218 PolarHBondContact O-N 2.83Å
194M98.8Very high96.4Very high3 Ų353.7 Ų53.72%0.01530%0.298CS..EExtended strand (participates in β ladder)trans-90.1130.3173.3-178.1-171-179.600110.5M87 I136 P139 Y192 G218 V222 P223M87-M194 HydrophobicContact CG-CE 4.1Å; M87-M194 HydrophobicContact SD-CE 3.51Å; M87-M194 VanDerWaalsContact SD-CE 3.51Å; I136-M194 PolarHBondContact O-N 3Å; P139-M194 VanDerWaalsContact CD-O 3.3Å; P139-M194 WeakPolarHBondContact CD-O 3.26Å; P139-M194 HydrophobicContact CG-CE 4.32Å; P139-M194 HydrophobicContact CG-CG 4.25Å; P139-M194 HydrophobicContact CG-SD 4.06Å; Y192-M194 HydrophobicContact CE1-CB 4.15Å; M194-G218 CarbonylContact C-O 3.56Å; M194-G218 WeakPolarHBondContact CA-O 3.38Å; M194-V222 HydrophobicContact CB-CB 4.01Å; M194-V222 HydrophobicContact CB-CG2 3.73Å; M194-V222 HydrophobicContact SD-CB 3.92Å; M194-P223 HydrophobicContact CE-CG 3.75Å; M194-P223 VanDerWaalsContact SD-CD 3.5Å; M194-P223 HydrophobicContact SD-CG 3.7Å
195L98.8Very high97.1Very high39 Ų3948.5 Ų48.520%0.20427%0.274CS..  trans-106.1164.2158.5-61.7-176000110.7L138 E201 L209 V217 G218 M219L138-L195 HydrophobicContact CD1-CD2 3.59Å; L195-E201 HydrophobicContact CD1-CG 3.66Å; L195-E201 WeakPolarHBondContact CD1-OE1 3.38Å; L195-L209 HydrophobicContact CD1-CD1 4.13Å; L195-L209 HydrophobicContact CD2-CD2 4.36Å; L195-V217 HydrophobicContact CD1-CG2 3.79Å; L195-V217 HydrophobicContact CG-CG2 3.8Å; L195-G218 PolarHBondContact N-O 3.45Å; L195-M219 VanDerWaalsContact O-CA 3.3Å; L195-M219 WeakPolarHBondContact O-CA 3.25Å
196A98.1Very high97.6Very high39 Ų3944.1 Ų44.132%0.32226%0.257SS..  trans-82.1-29.8176.400000113.2M87 Y88M87-A196 HydrophobicContact CE-CB 4.23Å; M87-A196 HydrophobicContact SD-CB 4.34Å; Y88-A196 WeakPolarHBondContact CB-O 3.36Å; Y88-A196 WeakPolarHBondContact CD1-O 3.44Å
197G96.6Very high97.9Very high30 Ų3041.4 Ų41.431%0.30924%0.24SC..  trans74-167.3-174.900000114
198P95.6Very high98.1Very high96 Ų9645.4 Ų45.462%0.62326%0.261SS*.SBendcis-89.7-13.24.932.8-33.6000115.1Y88Y88-P198 HydrophobicContact CD2-CB 4.33Å; Y88-P198 HydrophobicContact CG-CB 4.1Å
199S97.3Very high98.2Very high94 Ų9444.1 Ų44.166%0.65726%0.255SS*.SBendtrans-66.5140.6178.152.60000110.7M219S199-M219 WeakPolarHBondContact O-CE 3.45Å
200F96.7Very high98.2Very high77 Ų7744.8 Ų44.834%0.33826%0.259SS..PPolyproline II helixtrans-65.4165.4166.5-68.5-70.5000111.3M219 A255F200-M219 HydrophobicContact CD1-CE 4.25Å; F200-A255 HydrophobicContact CB-CB 4.09Å; F200-A255 HydrophobicContact CD1-CB 3.99Å; F200-A255 HydrophobicContact CD2-CB 3.8Å; F200-A255 HydrophobicContact CE1-CB 4.35Å; F200-A255 HydrophobicContact CE2-CB 4.19Å; F200-A255 HydrophobicContact CG-CB 3.69Å; F200-A255 HydrophobicContact CZ-CB 4.45Å
201E98.2Very high98.2Very high31 Ų3153.2 Ų53.215%0.14530%0.295CS..PPolyproline II helixtrans-70.5141.6-175.5-54.175-159.700111.8L195 E205 S206 L209 V217L195-E201 HydrophobicContact CD1-CG 3.66Å; L195-E201 WeakPolarHBondContact CD1-OE1 3.38Å; E201-E205 HydrophobicContact CB-CB 4.17Å; E201-S206 WeakPolarHBondContact CB-OG 3.46Å; E201-L209 HydrophobicContact CG-CD1 4.1Å; E201-V217 HydrophobicContact CG-CG2 4.43Å; E201-V217 WeakPolarHBondContact OE1-CG2 3.23Å
202T98.3Very high98.1Very high76 Ų7656.8 Ų56.847%0.46631%0.313SS..PPolyproline II helixtrans-73.1159.616164.20000110.6A204 E205 S206T202-A204 PolarHBondContact O-N 3.28Å; T202-A204 VanDerWaalsContact O-N 3.12Å; T202-E205 WeakPolarHBondContact CB-OE2 2.96Å; T202-E205 WeakPolarHBondContact CG2-OE2 3.39Å; T202-E205 PolarHBondContact N-OE2 2.88Å; T202-E205 PolarHBondContact O-N 3.43Å; T202-E205 VanDerWaalsContact OG1-CD 3.24Å; T202-E205 VanDerWaalsContact OG1-CG 3.32Å; T202-E205 WeakPolarHBondContact OG1-CG 3.25Å; T202-E205 PolarHBondContact OG1-N 3.15Å; T202-E205 PolarHBondContact OG1-OE2 3.23Å; T202-S206 PolarHBondContact O-N 3.01Å; T202-S206 PolarHBondContact O-OG 3.45Å
203V98.2Very high98.1Very high21 Ų2158.8 Ų58.813%0.12733%0.334CS..Hα-helixtrans-53.4-37.5176.3172.50000112.6R207 I246 Y249V203-R207 WeakPolarHBondContact O-CB 3.43Å; V203-R207 VanDerWaalsContact O-CG 3.29Å; V203-R207 WeakPolarHBondContact O-CG 3.5Å; V203-R207 PolarHBondContact O-N 3.16Å; V203-I246 HydrophobicContact CG2-CG2 4.11Å; V203-Y249 HydrophobicContact CB-CD1 3.89Å; V203-Y249 HydrophobicContact CB-CE1 3.57Å; V203-Y249 HydrophobicContact CG1-CD1 3.89Å; V203-Y249 HydrophobicContact CG1-CD2 4.33Å; V203-Y249 HydrophobicContact CG1-CE1 3.59Å; V203-Y249 HydrophobicContact CG1-CE2 4.07Å; V203-Y249 HydrophobicContact CG1-CG 4.24Å; V203-Y249 HydrophobicContact CG2-CD1 4.06Å; V203-Y249 HydrophobicContact CG2-CE1 4.24Å
204A98.6Very high98.1Very high55 Ų5559 Ų5946%0.45534%0.335SS..Hα-helixtrans-68-42.5179.100000111.9T202 R207 L208T202-A204 PolarHBondContact O-N 3.28Å; T202-A204 VanDerWaalsContact O-N 3.12Å; A204-R207 PolarHBondContact O-N 3.43Å; A204-L208 WeakPolarHBondContact O-CB 3.34Å; A204-L208 PolarHBondContact O-N 3.31Å
205E98.8Very high98.1Very high92 Ų9260 Ų6043%0.4334%0.341SS..Hα-helixtrans-64.6-46175.2-70.9160.6155.800110.6E201 T202 R207 L208 L209E201-E205 HydrophobicContact CB-CB 4.17Å; T202-E205 WeakPolarHBondContact CB-OE2 2.96Å; T202-E205 WeakPolarHBondContact CG2-OE2 3.39Å; T202-E205 PolarHBondContact N-OE2 2.88Å; T202-E205 PolarHBondContact O-N 3.43Å; T202-E205 VanDerWaalsContact OG1-CD 3.24Å; T202-E205 VanDerWaalsContact OG1-CG 3.32Å; T202-E205 WeakPolarHBondContact OG1-CG 3.25Å; T202-E205 PolarHBondContact OG1-N 3.15Å; T202-E205 PolarHBondContact OG1-OE2 3.23Å; E205-R207 VanDerWaalsContact C-N 3.33Å; E205-R207 PolarHBondContact O-N 3.16Å; E205-L208 WeakPolarHBondContact O-CA 3.42Å; E205-L208 WeakPolarHBondContact O-CB 3.48Å; E205-L208 PolarHBondContact O-N 3.19Å; E205-L209 WeakPolarHBondContact O-CG 3.47Å; E205-L209 PolarHBondContact O-N 3.49Å
206S98.4Very high98.1Very high0 Ų058.1 Ų58.10%033%0.331CS..Hα-helixtrans-53.9-48.3175.4-51.10000112.2E201 T202 L208 L209 Q210 V245 I246E201-S206 WeakPolarHBondContact CB-OG 3.46Å; T202-S206 PolarHBondContact O-N 3.01Å; T202-S206 PolarHBondContact O-OG 3.45Å; S206-L208 VanDerWaalsContact C-N 3.33Å; S206-L208 PolarHBondContact O-N 3.29Å; S206-L209 PolarHBondContact O-N 2.95Å; S206-Q210 PolarHBondContact O-N 3.31Å; S206-V245 VanDerWaalsContact CB-CG1 3.43Å; S206-V245 WeakPolarHBondContact OG-CG1 3.42Å; S206-I246 WeakPolarHBondContact CB-O 3.44Å; S206-I246 PolarHBondContact OG-O 3.29Å
207R98.5Very high98.1Very high92 Ų9256.4 Ų56.435%0.34732%0.317SS..Hα-helixtrans-64.2-37177-73.2172.6179.2-174.50.1112.2V203 A204 E205 K211 M247 Y249V203-R207 WeakPolarHBondContact O-CB 3.43Å; V203-R207 VanDerWaalsContact O-CG 3.29Å; V203-R207 WeakPolarHBondContact O-CG 3.5Å; V203-R207 PolarHBondContact O-N 3.16Å; A204-R207 PolarHBondContact O-N 3.43Å; E205-R207 VanDerWaalsContact C-N 3.33Å; E205-R207 PolarHBondContact O-N 3.16Å; R207-K211 WeakPolarHBondContact O-CG 3.21Å; R207-K211 PolarHBondContact O-N 3.19Å; R207-M247 VanDerWaalsContact CZ-O 3.26Å; R207-M247 PolarHBondContact NE-O 2.93Å; R207-M247 PolarHBondContact NH2-O 3.42Å; R207-Y249 VanDerWaalsContact NH1-CE2 3.26Å
208L98.7Very high98.2Very high99 Ų9955.4 Ų55.452%0.51831%0.306SS..Hα-helixtrans-63.4-48.7174.6174.663.7000110.8A204 E205 S206 Q210 K211 L212A204-L208 WeakPolarHBondContact O-CB 3.34Å; A204-L208 PolarHBondContact O-N 3.31Å; E205-L208 WeakPolarHBondContact O-CA 3.42Å; E205-L208 WeakPolarHBondContact O-CB 3.48Å; E205-L208 PolarHBondContact O-N 3.19Å; S206-L208 VanDerWaalsContact C-N 3.33Å; S206-L208 PolarHBondContact O-N 3.29Å; L208-Q210 VanDerWaalsContact C-N 3.31Å; L208-Q210 PolarHBondContact O-N 3.45Å; L208-K211 CarbonylContact O-C 3.56Å; L208-K211 WeakPolarHBondContact O-CB 3.3Å; L208-K211 PolarHBondContact O-N 3.01Å; L208-K211 VanDerWaalsContact O-N 3.09Å; L208-L212 HydrophobicContact CD1-CG 4.38Å; L208-L212 HydrophobicContact CG-CD1 4.27Å; L208-L212 WeakPolarHBondContact O-CG 3.48Å; L208-L212 PolarHBondContact O-N 3.48Å
209L98.8Very high98.4Very high6 Ų652.1 Ų52.13%0.03128%0.283CS..Hα-helixtrans-61.4-40.3179.8-62.9177.1000112L120 L138 V193 L195 E201 E205 S206 K211 L212 G213 A214 V217L120-L209 HydrophobicContact CD1-CB 3.58Å; L120-L209 HydrophobicContact CD1-CD1 4.3Å; L120-L209 HydrophobicContact CD2-CB 4.29Å; L138-L209 HydrophobicContact CD1-CD2 3.6Å; V193-L209 HydrophobicContact CG1-CB 4.37Å; V193-L209 HydrophobicContact CG1-CD1 4.11Å; V193-L209 HydrophobicContact CG1-CD2 4.08Å; V193-L209 HydrophobicContact CG1-CG 4.42Å; V193-L209 HydrophobicContact CG2-CD2 4.03Å; L195-L209 HydrophobicContact CD1-CD1 4.13Å; L195-L209 HydrophobicContact CD2-CD2 4.36Å; E201-L209 HydrophobicContact CG-CD1 4.1Å; E205-L209 WeakPolarHBondContact O-CG 3.47Å; E205-L209 PolarHBondContact O-N 3.49Å; S206-L209 PolarHBondContact O-N 2.95Å; L209-K211 PolarHBondContact O-N 3.37Å; L209-L212 HydrophobicContact CD2-CD1 4.39Å; L209-L212 WeakPolarHBondContact O-CB 3.44Å; L209-L212 PolarHBondContact O-N 3.01Å; L209-G213 PolarHBondContact O-N 3.25Å; L209-A214 WeakPolarHBondContact O-CB 3.36Å; L209-A214 PolarHBondContact O-N 3.06Å; L209-V217 HydrophobicContact CD1-CB 4.1Å; L209-V217 HydrophobicContact CD1-CG2 3.75Å
210Q97.8Very high98.4Very high76 Ų7648 Ų4836%0.35525%0.254SS..Hα-helixtrans-61.5-43.4173.2-172-177.370.600111.5L120 S206 L208 L212 G213 M247L120-Q210 PolarHBondContact O-NE2 2.98Å; S206-Q210 PolarHBondContact O-N 3.31Å; L208-Q210 VanDerWaalsContact C-N 3.31Å; L208-Q210 PolarHBondContact O-N 3.45Å; Q210-L212 VanDerWaalsContact C-N 3.27Å; Q210-L212 PolarHBondContact O-N 3.04Å; Q210-G213 PolarHBondContact O-N 2.87Å; Q210-M247 PolarHBondContact NE2-SD 3.22Å
211K98.6Very high98.5Very high178 Ų17844.3 Ų44.377%0.77424%0.238SC*.Hα-helixtrans-64.9-28.9175.6-76178179.2-175.20113.4R207 L208 L209 G213R207-K211 WeakPolarHBondContact O-CG 3.21Å; R207-K211 PolarHBondContact O-N 3.19Å; L208-K211 CarbonylContact O-C 3.56Å; L208-K211 WeakPolarHBondContact O-CB 3.3Å; L208-K211 PolarHBondContact O-N 3.01Å; L208-K211 VanDerWaalsContact O-N 3.09Å; L209-K211 PolarHBondContact O-N 3.37Å; K211-G213 PolarHBondContact O-N 2.93Å
212L98.5Very high98.5Very high88 Ų8842.9 Ų42.946%0.46123%0.231SC..THydrogen-bonded Turntrans-73.3-5.9173-68174.9000112.9I136 L138 L208 L209 Q210I136-L212 HydrophobicContact CD1-CB 4.34Å; L138-L212 HydrophobicContact CD2-CD1 4.48Å; L208-L212 HydrophobicContact CD1-CG 4.38Å; L208-L212 HydrophobicContact CG-CD1 4.27Å; L208-L212 WeakPolarHBondContact O-CG 3.48Å; L208-L212 PolarHBondContact O-N 3.48Å; L209-L212 HydrophobicContact CD2-CD1 4.39Å; L209-L212 WeakPolarHBondContact O-CB 3.44Å; L209-L212 PolarHBondContact O-N 3.01Å; Q210-L212 VanDerWaalsContact C-N 3.27Å; Q210-L212 PolarHBondContact O-N 3.04Å
213G98.5Very high98.6Very high42 Ų4239.3 Ų39.343%0.43321%0.21SC..THydrogen-bonded Turntrans86.219.1178.300000114.1L209 Q210 K211L209-G213 PolarHBondContact O-N 3.25Å; Q210-G213 PolarHBondContact O-N 2.87Å; K211-G213 PolarHBondContact O-N 2.93Å
214A98.8Very high98.6Very high4 Ų438.4 Ų38.43%0.03320%0.204CC..  trans-79.5138.5171.600000111.2L120 I136 V193 L209L120-A214 HydrophobicContact CD1-CB 3.72Å; I136-A214 HydrophobicContact CD1-CB 4.4Å; V193-A214 HydrophobicContact CB-CB 3.69Å; V193-A214 HydrophobicContact CG1-CB 3.41Å; V193-A214 VanDerWaalsContact CG1-CB 3.41Å; L209-A214 WeakPolarHBondContact O-CB 3.36Å; L209-A214 PolarHBondContact O-N 3.06Å
215D98.9Very high98.6Very high25 Ų2535.8 Ų35.813%0.13418%0.182CC..SBendtrans-99.4-30.2178.3-65.7-72.4000112L120 N121 F124 M130 G190 T191L120-D215 PolarHBondContact N-O 3.26Å; N121-D215 HydrophobicContact CB-CB 4.13Å; N121-D215 PolarHBondContact N-O 2.89Å; N121-D215 PolarHBondContact ND2-OD1 2.87Å; F124-D215 HydrophobicContact CE2-CB 3.71Å; F124-D215 HydrophobicContact CZ-CB 3.93Å; M130-D215 HydrophobicContact SD-CB 3.81Å; G190-D215 WeakPolarHBondContact CA-OD2 3.35Å; T191-D215 PolarHBondContact N-OD2 3.12Å; T191-D215 PolarHBondContact O-N 2.97Å
216A98.8Very high98.6Very high0 Ų031.7 Ų31.70%016%0.163CC..EExtended strand (participates in β ladder)trans-140.3147.4175.100000111A117 G118 M130 T191 Y192 V193 I241A117-A216 HydrophobicContact CB-CB 3.86Å; G118-A216 CarbonylContact O-C 3.54Å; G118-A216 VanDerWaalsContact O-CA 3.25Å; G118-A216 WeakPolarHBondContact O-CA 3.23Å; M130-A216 HydrophobicContact CE-CB 3.63Å; M130-A216 HydrophobicContact SD-CB 3.84Å; T191-A216 PolarHBondContact O-N 2.7Å; Y192-A216 CarbonylContact C-O 3.53Å; Y192-A216 WeakPolarHBondContact CA-O 3.5Å; Y192-A216 HydrophobicContact CD2-CB 4.48Å; V193-A216 PolarHBondContact N-O 3.28Å; A216-I241 HydrophobicContact CB-CD1 3.9Å
217V98.8Very high98.7Very high3 Ų331.7 Ų31.72%0.01816%0.163CC..EExtended strand (participates in β ladder)trans-118.8140.9176.958.50000110.9A117 G118 L120 V193 L195 E201 L209 V245A117-V217 CarbonylContact C-O 3.5Å; A117-V217 VanDerWaalsContact CA-O 3.26Å; A117-V217 WeakPolarHBondContact CA-O 3.41Å; A117-V217 WeakPolarHBondContact CB-O 3.44Å; G118-V217 PolarHBondContact N-O 3.38Å; G118-V217 PolarHBondContact O-N 3.04Å; L120-V217 HydrophobicContact CD1-CB 3.97Å; L120-V217 HydrophobicContact CD1-CG1 4.22Å; L120-V217 HydrophobicContact CD2-CG1 4.35Å; L120-V217 HydrophobicContact CG-CB 4.4Å; L120-V217 HydrophobicContact CG-CG1 4.12Å; V193-V217 HydrophobicContact CG1-CB 3.75Å; V193-V217 HydrophobicContact CG1-CG2 3.89Å; V193-V217 WeakPolarHBondContact O-CA 3.44Å; L195-V217 HydrophobicContact CD1-CG2 3.79Å; L195-V217 HydrophobicContact CG-CG2 3.8Å; E201-V217 HydrophobicContact CG-CG2 4.43Å; E201-V217 WeakPolarHBondContact OE1-CG2 3.23Å; L209-V217 HydrophobicContact CD1-CB 4.1Å; L209-V217 HydrophobicContact CD1-CG2 3.75Å; V217-V245 HydrophobicContact CG1-CG2 3.74Å
218G98.4Very high98.7Very high8 Ų827.3 Ų27.38%0.08215%0.147CC..EExtended strand (participates in β ladder)trans-160.7-166.9167.900000112.1Y192 V193 M194 L195Y192-G218 WeakPolarHBondContact OH-CA 3.43Å; V193-G218 PolarHBondContact O-N 2.83Å; M194-G218 CarbonylContact C-O 3.56Å; M194-G218 WeakPolarHBondContact CA-O 3.38Å; L195-G218 PolarHBondContact N-O 3.45Å
219M98.2Very high98.7Very high27 Ų2725.1 Ų25.113%0.13313%0.131CC..SBendtrans-122.724.2-165.6-56.1177-172.700114.1Y88 Y192 L195 S199 F200Y88-M219 HydrophobicContact CD1-CB 3.99Å; Y88-M219 HydrophobicContact CD1-SD 3.98Å; Y88-M219 HydrophobicContact CE1-CB 3.77Å; Y88-M219 HydrophobicContact CE1-SD 3.99Å; Y192-M219 PolarHBondContact OH-N 3.45Å; L195-M219 VanDerWaalsContact O-CA 3.3Å; L195-M219 WeakPolarHBondContact O-CA 3.25Å; S199-M219 WeakPolarHBondContact O-CE 3.45Å; F200-M219 HydrophobicContact CD1-CE 4.25Å
220S98.3Very high98.7Very high8 Ų825.2 Ų25.26%0.05613%0.132CC..SBendtrans-151.1-159.6-172.770.80000112.7Y192 V222Y192-S220 WeakPolarHBondContact CE1-O 3.15Å; Y192-S220 PolarHBondContact OH-N 3.28Å; Y192-S220 PolarHBondContact OH-O 3.07Å; S220-V222 PolarHBondContact O-N 3.1Å
221T98.8Very high98.7Very high0 Ų022 Ų220%012%0.117CC..SBendtrans72.9-60.2164.2-58.10000114.7V113 N115 I132 P223 E224 V225V113-T221 HydrophobicContact CB-CG2 3.91Å; V113-T221 HydrophobicContact CG2-CG2 3.53Å; N115-T221 PolarHBondContact ND2-OG1 3.38Å; I132-T221 HydrophobicContact CD1-CG2 4.11Å; T221-P223 VanDerWaalsContact C-CD 3.41Å; T221-P223 VanDerWaalsContact C-N 3.35Å; T221-E224 WeakPolarHBondContact CA-OE2 3.41Å; T221-E224 WeakPolarHBondContact O-CA 3.27Å; T221-E224 WeakPolarHBondContact O-CB 3.42Å; T221-E224 PolarHBondContact O-N 3.33Å; T221-V225 HydrophobicContact CG2-CG2 3.99Å; T221-V225 WeakPolarHBondContact O-CG2 3.25Å; T221-V225 PolarHBondContact O-N 2.68Å
222V98.9Very high98.7Very high0 Ų016.2 Ų16.20%011%0.108CC..Hα-helixtrans-53.8-41-173.8174.20000113.8H135 N137 Y192 M194 S220 E224 V225 I226H135-V222 HydrophobicContact CB-CG2 3.7Å; N137-V222 HydrophobicContact CB-CG1 3.61Å; Y192-V222 HydrophobicContact CD1-CG2 3.82Å; Y192-V222 HydrophobicContact CE1-CG2 3.97Å; M194-V222 HydrophobicContact CB-CB 4.01Å; M194-V222 HydrophobicContact CB-CG2 3.73Å; M194-V222 HydrophobicContact SD-CB 3.92Å; S220-V222 PolarHBondContact O-N 3.1Å; V222-E224 PolarHBondContact O-N 2.82Å; V222-V225 PolarHBondContact O-N 3.12Å; V222-I226 HydrophobicContact CG1-CD1 3.8Å; V222-I226 HydrophobicContact CG1-CG1 4.44Å; V222-I226 VanDerWaalsContact O-CG1 3.29Å; V222-I226 WeakPolarHBondContact O-CG1 3.11Å; V222-I226 PolarHBondContact O-N 3.41Å
223P98.9Very high98.7Very high2 Ų212.1 Ų12.11%0.0139%0.087CC..Hα-helixtrans-64.9-40.5177-20.935.1000112L93 T97 P146 M194 T221 V225 I226 V227L93-P223 HydrophobicContact CD2-CB 3.78Å; L93-P223 HydrophobicContact CD2-CG 3.54Å; T97-P223 HydrophobicContact CG2-CB 3.47Å; T97-P223 VanDerWaalsContact CG2-CB 3.47Å; T97-P223 VanDerWaalsContact CG2-O 3.26Å; T97-P223 WeakPolarHBondContact CG2-O 3.44Å; P146-P223 HydrophobicContact CG-CB 4.22Å; M194-P223 HydrophobicContact CE-CG 3.75Å; M194-P223 VanDerWaalsContact SD-CD 3.5Å; M194-P223 HydrophobicContact SD-CG 3.7Å; T221-P223 VanDerWaalsContact C-CD 3.41Å; T221-P223 VanDerWaalsContact C-N 3.35Å; P223-V225 VanDerWaalsContact C-N 3.33Å; P223-V225 PolarHBondContact O-N 3.4Å; P223-I226 PolarHBondContact O-N 3.33Å; P223-V227 PolarHBondContact O-N 3.19Å; P223-V227 VanDerWaalsContact O-N 3.11Å
224E98.9Very high98.7Very high2 Ų212.8 Ų12.81%0.0098%0.076CC..Hα-helixtrans-62.3-44.2178.5-58.9155.5178.800109.9I30 R84 V100 V113 T221 V222 V227 A228I30-E224 HydrophobicContact CD1-CB 4.09Å; I30-E224 HydrophobicContact CD1-CG 3.94Å; R84-E224 WeakPolarHBondContact CD-OE1 3.14Å; R84-E224 IonicContact CZ-OE1 2.96Å; R84-E224 IonicContact CZ-OE2 3.06Å; R84-E224 IonicContact NE-OE1 3.03Å; R84-E224 PolarHBondContact NE-OE1 2.86Å; R84-E224 IonicContact NE-OE2 2.87Å; R84-E224 PolarHBondContact NE-OE2 2.96Å; R84-E224 IonicContact NH2-OE2 3.26Å; R84-E224 PolarHBondContact NH2-OE2 3.03Å; V100-E224 HydrophobicContact CG2-CB 3.99Å; V100-E224 HydrophobicContact CG2-CG 4.37Å; V113-E224 HydrophobicContact CG1-CB 4.29Å; T221-E224 WeakPolarHBondContact CA-OE2 3.41Å; T221-E224 WeakPolarHBondContact O-CA 3.27Å; T221-E224 WeakPolarHBondContact O-CB 3.42Å; T221-E224 PolarHBondContact O-N 3.33Å; V222-E224 PolarHBondContact O-N 2.82Å; E224-V227 PolarHBondContact O-N 3.15Å; E224-A228 VanDerWaalsContact O-CB 3.24Å; E224-A228 WeakPolarHBondContact O-CB 3.07Å; E224-A228 PolarHBondContact O-N 3.12Å
225V98.9Very high98.7Very high0 Ų012.6 Ų12.60%08%0.075CC..Hα-helixtrans-61.5-46176.3174.60000111.6V113 A165 Y166 T221 V222 P223 V227 A228 R229 V235V113-V225 HydrophobicContact CG1-CG2 4.43Å; V113-V225 HydrophobicContact CG2-CG2 3.85Å; A165-V225 HydrophobicContact CB-CG1 4Å; Y166-V225 HydrophobicContact CE1-CG1 4.26Å; Y166-V225 HydrophobicContact CE1-CG2 3.98Å; Y166-V225 HydrophobicContact CE2-CG1 4.48Å; T221-V225 HydrophobicContact CG2-CG2 3.99Å; T221-V225 WeakPolarHBondContact O-CG2 3.25Å; T221-V225 PolarHBondContact O-N 2.68Å; V222-V225 PolarHBondContact O-N 3.12Å; P223-V225 VanDerWaalsContact C-N 3.33Å; P223-V225 PolarHBondContact O-N 3.4Å; V225-V227 PolarHBondContact O-N 2.99Å; V225-A228 PolarHBondContact O-N 2.83Å; V225-R229 HydrophobicContact CG1-CG 4.32Å; V225-R229 WeakPolarHBondContact O-CG 3.45Å; V225-R229 PolarHBondContact O-N 3.37Å; V225-V235 HydrophobicContact CG1-CG1 4.17Å; V225-V235 HydrophobicContact CG2-CG1 3.97Å
226I98.9Very high98.6Very high5 Ų511.5 Ų11.53%0.0267%0.069CC..Hα-helixtrans-59.5-46.6-179.9-73.8166.1000111N137 P146 L147 M162 V222 P223 H230N137-I226 WeakPolarHBondContact ND2-CD1 2.81Å; P146-I226 HydrophobicContact CG-CB 4.04Å; P146-I226 HydrophobicContact CG-CG2 3.7Å; L147-I226 HydrophobicContact CD1-CG2 3.63Å; L147-I226 HydrophobicContact CD2-CG2 4.43Å; L147-I226 HydrophobicContact CG-CG2 3.72Å; M162-I226 HydrophobicContact CE-CB 4.21Å; M162-I226 HydrophobicContact CE-CG1 4.3Å; M162-I226 HydrophobicContact CE-CG2 3.98Å; M162-I226 WeakPolarHBondContact CE-O 3.4Å; M162-I226 HydrophobicContact SD-CG1 4.17Å; V222-I226 HydrophobicContact CG1-CD1 3.8Å; V222-I226 HydrophobicContact CG1-CG1 4.44Å; V222-I226 VanDerWaalsContact O-CG1 3.29Å; V222-I226 WeakPolarHBondContact O-CG1 3.11Å; V222-I226 PolarHBondContact O-N 3.41Å; P223-I226 PolarHBondContact O-N 3.33Å; I226-H230 WeakPolarHBondContact O-CB 3.36Å; I226-H230 PolarHBondContact O-N 3.39Å
227V98.9Very high98.5Very high0 Ų011.6 Ų11.60%07%0.07CC..Hα-helixtrans-69-38.1178.5175.10000111.3T97 V100 R101 P146 L147 P223 E224 V225 R229 H230 C231T97-V227 HydrophobicContact CG2-CB 4.49Å; T97-V227 HydrophobicContact CG2-CG2 3.86Å; V100-V227 HydrophobicContact CB-CB 4.43Å; V100-V227 HydrophobicContact CB-CG1 4.04Å; V100-V227 HydrophobicContact CG1-CB 4.22Å; V100-V227 HydrophobicContact CG1-CG1 3.92Å; R101-V227 HydrophobicContact CG-CG1 3.76Å; P146-V227 HydrophobicContact CB-CG2 3.56Å; P146-V227 HydrophobicContact CG-CG2 3.65Å; L147-V227 HydrophobicContact CD2-CG2 4.09Å; P223-V227 PolarHBondContact O-N 3.19Å; P223-V227 VanDerWaalsContact O-N 3.11Å; E224-V227 PolarHBondContact O-N 3.15Å; V225-V227 PolarHBondContact O-N 2.99Å; V227-R229 PolarHBondContact O-N 3.49Å; V227-H230 WeakPolarHBondContact O-CB 3.28Å; V227-H230 PolarHBondContact O-N 3.46Å; V227-C231 PolarHBondContact O-N 2.6Å; V227-C231 PolarHBondContact O-SG 3.11Å
228A98.9Very high98.5Very high0 Ų011.6 Ų11.60%07%0.069CC..Hα-helixtrans-62-45.4178.100000111.8V100 L111 E224 V225 C231 G232 L233 V235V100-A228 HydrophobicContact CG1-CB 3.72Å; L111-A228 HydrophobicContact CB-CB 4.33Å; L111-A228 HydrophobicContact CD2-CB 3.5Å; E224-A228 VanDerWaalsContact O-CB 3.24Å; E224-A228 WeakPolarHBondContact O-CB 3.07Å; E224-A228 PolarHBondContact O-N 3.12Å; V225-A228 PolarHBondContact O-N 2.83Å; A228-C231 CarbonylContact O-C 3.41Å; A228-C231 PolarHBondContact O-N 2.97Å; A228-G232 PolarHBondContact O-N 3.46Å; A228-G232 VanDerWaalsContact O-N 3.12Å; A228-L233 HydrophobicContact CB-CB 4.12Å; A228-L233 HydrophobicContact CB-CD1 4.15Å; A228-L233 WeakPolarHBondContact O-CB 3.39Å; A228-L233 WeakPolarHBondContact O-CD1 3.49Å; A228-L233 PolarHBondContact O-N 3.48Å; A228-V235 HydrophobicContact CB-CG2 3.63Å
229R98.8Very high98.4Very high53 Ų5311.2 Ų11.220%0.27%0.066CC..Hα-helixtrans-67.7-36.9175.6-66.6-56.6-63.1140.9-1.4112.3M162 D164 A165 V225 V227 C231 G232 L233 V235M162-R229 HydrophobicContact CE-CB 3.84Å; M162-R229 HydrophobicContact SD-CB 3.78Å; M162-R229 HydrophobicContact SD-CG 4.12Å; D164-R229 IonicContact OD1-NE 2.98Å; D164-R229 IonicContact OD1-NH2 2.75Å; D164-R229 PolarHBondContact OD1-NH2 3.06Å; D164-R229 IonicContact OD2-NH2 2.74Å; D164-R229 PolarHBondContact OD2-NH2 3.35Å; A165-R229 HydrophobicContact CB-CG 4.01Å; A165-R229 WeakPolarHBondContact O-CD 3.22Å; V225-R229 HydrophobicContact CG1-CG 4.32Å; V225-R229 WeakPolarHBondContact O-CG 3.45Å; V225-R229 PolarHBondContact O-N 3.37Å; V227-R229 PolarHBondContact O-N 3.49Å; R229-C231 VanDerWaalsContact C-N 3.33Å; R229-C231 PolarHBondContact O-N 3.33Å; R229-G232 PolarHBondContact O-N 3.04Å; R229-G232 VanDerWaalsContact O-N 3.11Å; R229-L233 PolarHBondContact NH1-O 3.35Å; R229-V235 HydrophobicContact CG-CG2 4.09Å
230H98.8Very high98.3Very high8 Ų89.9 Ų9.94%0.0376%0.059CC..Hα-helixtrans-56.3-46173.9175.1-119.4000111.9L147 N151 G156 V157 P160 I226 V227 G232L147-H230 HydrophobicContact CD1-CB 4.02Å; L147-H230 HydrophobicContact CD2-CB 3.86Å; N151-H230 PolarHBondContact OD1-CE1 3.05Å; N151-H230 PolarHBondContact OD1-NE2 2.94Å; G156-H230 VanDerWaalsContact C-NE2 3.34Å; G156-H230 WeakPolarHBondContact CA-O 3.48Å; G156-H230 PolarHBondContact O-NE2 3.09Å; V157-H230 PolarHBondContact O-CD2 3.29Å; V157-H230 PolarHBondContact O-NE2 3.4Å; V157-H230 VanDerWaalsContact O-NE2 3.16Å; P160-H230 HydrophobicContact CG-CB 4.29Å; I226-H230 WeakPolarHBondContact O-CB 3.36Å; I226-H230 PolarHBondContact O-N 3.39Å; V227-H230 WeakPolarHBondContact O-CB 3.28Å; V227-H230 PolarHBondContact O-N 3.46Å; H230-G232 VanDerWaalsContact C-N 3.32Å; H230-G232 PolarHBondContact O-N 2.89Å
231C98.5Very high98.2Very high8 Ų89.5 Ų9.55%0.0546%0.057CC..THydrogen-bonded Turntrans-92.721.9175.760.50000115.3H104 F155 V227 A228 R229 L233H104-C231 HydrophobicContact CB-CB 4.4Å; H104-C231 PolarHBondContact CE1-O 2.95Å; H104-C231 VanDerWaalsContact CE1-O 3.31Å; H104-C231 PolarHBondContact ND1-O 3.32Å; H104-C231 VanDerWaalsContact ND1-O 3.11Å; F155-C231 HydrophobicContact CB-CB 4.3Å; F155-C231 HydrophobicContact CD1-CB 4.4Å; F155-C231 VanDerWaalsContact O-CA 3.24Å; F155-C231 WeakPolarHBondContact O-CA 3.46Å; F155-C231 WeakPolarHBondContact O-CB 3.16Å; V227-C231 PolarHBondContact O-N 2.6Å; V227-C231 PolarHBondContact O-SG 3.11Å; A228-C231 CarbonylContact O-C 3.41Å; A228-C231 PolarHBondContact O-N 2.97Å; R229-C231 VanDerWaalsContact C-N 3.33Å; R229-C231 PolarHBondContact O-N 3.33Å; C231-L233 VanDerWaalsContact C-N 3.35Å; C231-L233 PolarHBondContact O-N 3.41Å; C231-L233 WeakPolarHBondContact SG-CD1 3.26Å
232G98.3Very high98Very high57 Ų579.7 Ų9.759%0.5886%0.058SC*.THydrogen-bonded Turntrans77.39.3166.100000116.2A228 R229 H230A228-G232 PolarHBondContact O-N 3.46Å; A228-G232 VanDerWaalsContact O-N 3.12Å; R229-G232 PolarHBondContact O-N 3.04Å; R229-G232 VanDerWaalsContact O-N 3.11Å; H230-G232 VanDerWaalsContact C-N 3.32Å; H230-G232 PolarHBondContact O-N 2.89Å
233L98.6Very high97.8Very high2 Ų210.4 Ų10.41%0.016%0.061CC..  trans-65.6142.7173-67.8104.6000110.8V100 H104 V108 L111 A228 R229 C231V100-L233 HydrophobicContact CG1-CD1 4.44Å; H104-L233 HydrophobicContact CB-CD1 4.14Å; V108-L233 HydrophobicContact CB-CD2 4.16Å; V108-L233 HydrophobicContact CG1-CD2 3.65Å; V108-L233 WeakPolarHBondContact O-CD2 3.26Å; L111-L233 HydrophobicContact CB-CD2 4.26Å; A228-L233 HydrophobicContact CB-CB 4.12Å; A228-L233 HydrophobicContact CB-CD1 4.15Å; A228-L233 WeakPolarHBondContact O-CB 3.39Å; A228-L233 WeakPolarHBondContact O-CD1 3.49Å; A228-L233 PolarHBondContact O-N 3.48Å; R229-L233 PolarHBondContact NH1-O 3.35Å; C231-L233 VanDerWaalsContact C-N 3.35Å; C231-L233 PolarHBondContact O-N 3.41Å; C231-L233 WeakPolarHBondContact SG-CD1 3.26Å
234R98.3Very high97.7Very high56 Ų5614.3 Ų14.321%0.2118%0.078CC..EExtended strand (participates in β ladder)trans-67.9136.4162-172.2-177.3-60.9112.5-0.4108.4D109 T110 L111 D167 M170D109-R234 WeakPolarHBondContact O-CB 3.36Å; D109-R234 PolarHBondContact O-N 3.42Å; D109-R234 IonicContact OD1-NH1 3.95Å; T110-R234 CarbonylContact C-O 3.6Å; T110-R234 WeakPolarHBondContact CA-O 3.45Å; T110-R234 HydrophobicContact CG2-CB 4.44Å; T110-R234 PolarHBondContact OG1-NH1 3.45Å; L111-R234 PolarHBondContact N-O 2.87Å; D167-R234 HydrophobicContact CB-CG 3.71Å; D167-R234 WeakPolarHBondContact OD2-CG 3.3Å; D167-R234 IonicContact OD2-NE 3.32Å; M170-R234 WeakPolarHBondContact SD-CD 3.4Å; M170-R234 HydrophobicContact SD-CG 3.92Å
235V98.5Very high97.5Very high1 Ų114.7 Ų14.71%0.0068%0.081CC..EExtended strand (participates in β ladder)trans-122.9134.1-179.41790000110.8L111 V113 A165 Y166 D167 V225 A228 R229L111-V235 HydrophobicContact CB-CG2 4.41Å; L111-V235 WeakPolarHBondContact O-CA 3.31Å; V113-V235 HydrophobicContact CG2-CG1 4.4Å; A165-V235 WeakPolarHBondContact O-CB 3.3Å; Y166-V235 HydrophobicContact CD1-CG1 4.28Å; Y166-V235 HydrophobicContact CE1-CG1 4.4Å; D167-V235 WeakPolarHBondContact CB-O 3.32Å; D167-V235 PolarHBondContact N-O 2.79Å; V225-V235 HydrophobicContact CG1-CG1 4.17Å; V225-V235 HydrophobicContact CG2-CG1 3.97Å; A228-V235 HydrophobicContact CB-CG2 3.63Å; R229-V235 HydrophobicContact CG-CG2 4.09Å
236F97.7Very high97.3Very high2 Ų216.6 Ų16.61%0.0099%0.09CC..EExtended strand (participates in β ladder)trans-125.9143.6164.4179.5-87.7000109L111 V112 V113 L131 M170 R171 A174 F238 L278L111-F236 PolarHBondContact O-N 3.34Å; V112-F236 CarbonylContact C-O 3.57Å; V112-F236 VanDerWaalsContact CA-O 3.27Å; V112-F236 WeakPolarHBondContact CA-O 3.16Å; V112-F236 HydrophobicContact CG1-CD1 4.31Å; V113-F236 PolarHBondContact N-O 3.07Å; L131-F236 HydrophobicContact CD1-CE2 4.43Å; L131-F236 HydrophobicContact CD1-CZ 4.43Å; L131-F236 HydrophobicContact CD2-CE1 4.1Å; L131-F236 HydrophobicContact CD2-CE2 4.11Å; L131-F236 HydrophobicContact CD2-CZ 3.4Å; L131-F236 VanDerWaalsContact CD2-CZ 3.4Å; M170-F236 HydrophobicContact CB-CB 4.35Å; M170-F236 HydrophobicContact CB-CD2 3.57Å; M170-F236 HydrophobicContact CB-CE2 4.26Å; M170-F236 HydrophobicContact CB-CG 4.33Å; M170-F236 HydrophobicContact CE-CB 3.53Å; M170-F236 HydrophobicContact CE-CD2 4.31Å; M170-F236 HydrophobicContact CE-CG 4Å; M170-F236 HydrophobicContact SD-CB 3.88Å; R171-F236 HydrophobicContact CG-CD2 4.27Å; R171-F236 HydrophobicContact CG-CE2 4.18Å; A174-F236 HydrophobicContact CB-CE2 3.87Å; A174-F236 HydrophobicContact CB-CZ 3.8Å; F236-F238 HydrophobicContact CD1-CD1 4.4Å; F236-F238 AromaticContact CE1-CD1 3.85Å; F236-F238 HydrophobicContact CE1-CD1 3.85Å; F236-L278 HydrophobicContact CD1-CD1 3.2Å; F236-L278 HydrophobicContact CD1-CG 4.29Å; F236-L278 HydrophobicContact CE1-CD1 3.22Å; F236-L278 HydrophobicContact CE1-CG 4.35Å; F236-L278 HydrophobicContact CG-CD1 4.03Å; F236-L278 HydrophobicContact CZ-CD1 4.07Å
237G96.9Very high97.1Very high1 Ų118.4 Ų18.41%0.0110%0.099CC..EExtended strand (participates in β ladder)trans-146.2150.5179.500000112.9V113 I132V113-G237 WeakPolarHBondContact O-CA 3.49Å; I132-G237 PolarHBondContact N-O 2.83Å
238F97.3Very high96.8Very high3 Ų322.3 Ų22.31%0.01312%0.12CC..EExtended strand (participates in β ladder)trans-145.6152.2171.867.1-93000111.4V112 V113 T114 N115 I129 M130 L131 F236 L271 L274V112-F238 HydrophobicContact CG1-CE1 4.4Å; V113-F238 PolarHBondContact O-N 3.36Å; V113-F238 VanDerWaalsContact O-N 3.12Å; T114-F238 WeakPolarHBondContact CA-O 3.38Å; T114-F238 HydrophobicContact CG2-CD1 4.12Å; T114-F238 HydrophobicContact CG2-CE1 3.36Å; T114-F238 HydrophobicContact CG2-CE2 3.98Å; T114-F238 HydrophobicContact CG2-CZ 3.28Å; N115-F238 PolarHBondContact N-O 2.93Å; I129-F238 HydrophobicContact CG2-CB 3.95Å; I129-F238 HydrophobicContact CG2-CD2 3.7Å; I129-F238 HydrophobicContact CG2-CG 4.06Å; M130-F238 CarbonylContact O-C 3.58Å; M130-F238 WeakPolarHBondContact O-CA 3.34Å; M130-F238 WeakPolarHBondContact O-CB 3.29Å; L131-F238 HydrophobicContact CD2-CB 4.04Å; F236-F238 HydrophobicContact CD1-CD1 4.4Å; F236-F238 AromaticContact CE1-CD1 3.85Å; F236-F238 HydrophobicContact CE1-CD1 3.85Å; F238-L271 HydrophobicContact CD2-CD2 4.35Å; F238-L271 HydrophobicContact CE2-CD2 3.38Å; F238-L271 HydrophobicContact CZ-CD2 3.94Å; F238-L274 HydrophobicContact CD1-CD2 3.82Å; F238-L274 HydrophobicContact CD2-CD2 4.11Å; F238-L274 HydrophobicContact CE1-CD2 3.91Å; F238-L274 HydrophobicContact CE2-CD2 4.24Å; F238-L274 HydrophobicContact CG-CD2 3.88Å; F238-L274 HydrophobicContact CZ-CD2 4.11Å
239S97.3Very high96.7Very high0 Ų029.2 Ų29.20%015%0.147CC..EExtended strand (participates in β ladder)trans-110133.8173.7-65.50000109.5N115 I129 M130 Y192N115-S239 PolarHBondContact ND2-OG 3.42Å; N115-S239 CarbonylContact O-C 3.54Å; N115-S239 WeakPolarHBondContact O-CA 3.39Å; N115-S239 VanDerWaalsContact OD1-CB 3.29Å; N115-S239 WeakPolarHBondContact OD1-CB 3.24Å; N115-S239 PolarHBondContact OD1-OG 2.89Å; I129-S239 WeakPolarHBondContact CA-O 3.49Å; M130-S239 PolarHBondContact N-O 2.87Å; M130-S239 PolarHBondContact O-N 3.17Å; Y192-S239 WeakPolarHBondContact CD2-OG 3.48Å
240L96Very high96.5Very high0 Ų033.2 Ų33.20%017%0.168CC..EExtended strand (participates in β ladder)trans-83.4122.2160.5177.465.9000108L35 N115 A116 A117 I129 T242 A267L35-L240 HydrophobicContact CD2-CB 4.44Å; L35-L240 HydrophobicContact CD2-CD2 4.02Å; N115-L240 PolarHBondContact O-N 2.79Å; A116-L240 WeakPolarHBondContact CA-O 3.2Å; A117-L240 PolarHBondContact N-O 2.66Å; I129-L240 HydrophobicContact CG1-CD1 4.28Å; L240-T242 HydrophobicContact CB-CG2 4.39Å; L240-T242 HydrophobicContact CD2-CG2 3.81Å; L240-T242 HydrophobicContact CG-CG2 3.85Å; L240-T242 PolarHBondContact O-N 3.11Å; L240-T242 VanDerWaalsContact O-N 3.17Å; L240-A267 HydrophobicContact CD1-CB 3.48Å; L240-A267 VanDerWaalsContact CD1-CB 3.48Å; L240-A267 HydrophobicContact CD2-CB 3.54Å; L240-A267 HydrophobicContact CG-CB 4.18Å
241I96.9Very high96.2Very high0 Ų035 Ų350%018%0.181CC..EExtended strand (participates in β ladder)trans-74.8105.3173.6-55.4-54.6000107.9A117 F124 E125 V126 G127 D128 M130 A216A117-I241 WeakPolarHBondContact O-CA 3.39Å; F124-I241 HydrophobicContact CB-CG1 4.29Å; F124-I241 HydrophobicContact CB-CG2 4.43Å; F124-I241 HydrophobicContact CD2-CD1 3.85Å; F124-I241 HydrophobicContact CD2-CG1 3.99Å; F124-I241 HydrophobicContact CE2-CD1 4.39Å; F124-I241 HydrophobicContact CG-CG1 4.43Å; E125-I241 WeakPolarHBondContact O-CG2 3.42Å; V126-I241 CarbonylContact C-O 3.45Å; V126-I241 WeakPolarHBondContact CA-O 3.4Å; G127-I241 PolarHBondContact N-O 3.07Å; D128-I241 HydrophobicContact CB-CB 4.24Å; D128-I241 HydrophobicContact CB-CG1 4.05Å; D128-I241 PolarHBondContact O-N 3.28Å; M130-I241 HydrophobicContact CB-CD1 4.32Å; A216-I241 HydrophobicContact CB-CD1 3.9Å
242T94.8Very high95.8Very high4 Ų442.5 Ų42.53%0.02522%0.22CC..EExtended strand (participates in β ladder)trans-97.7-17.8-173.148.10000113.6A116 A117 V126 L240 V260 A263A116-T242 HydrophobicContact CB-CG2 3.62Å; A117-T242 PolarHBondContact O-N 3.5Å; A117-T242 PolarHBondContact O-OG1 3.07Å; V126-T242 WeakPolarHBondContact CG1-O 3.43Å; L240-T242 HydrophobicContact CB-CG2 4.39Å; L240-T242 HydrophobicContact CD2-CG2 3.81Å; L240-T242 HydrophobicContact CG-CG2 3.85Å; L240-T242 PolarHBondContact O-N 3.11Å; L240-T242 VanDerWaalsContact O-N 3.17Å; T242-V260 HydrophobicContact CG2-CG1 4.05Å; T242-A263 HydrophobicContact CG2-CB 3.84Å
243N94.7Very high95.4Very high14 Ų1446.6 Ų46.68%0.07522%0.224CC..EExtended strand (participates in β ladder)trans-154.7157.2175.462.8-69.4000108.9G119G119-N243 PolarHBondContact N-O 3.27Å
244K96.1Very high94.9Very high85 Ų8554.6 Ų54.637%0.3726%0.258SS..EExtended strand (participates in β ladder)trans-85.8131.9163.6-65.5-172.2-176.5-166.50108.1F124 E125 V126F124-K244 WeakPolarHBondContact O-CE 3.43Å; F124-K244 PolarHBondContact O-NZ 2.78Å; E125-K244 IonicContact OE1-NZ 2.76Å; E125-K244 PolarHBondContact OE1-NZ 3.26Å; E125-K244 WeakPolarHBondContact OE2-CE 3.34Å; E125-K244 IonicContact OE2-NZ 3.64Å; E125-K244 PolarHBondContact OE2-NZ 3.1Å; V126-K244 HydrophobicContact CG2-CG 4.34Å
245V95.1Very high94.3Very high10 Ų1053.4 Ų53.46%0.06126%0.261CS..PPolyproline II helixtrans-70.6135177.7179.20000108.9G119 L120 S206 V217 M247G119-V245 WeakPolarHBondContact O-CB 3.29Å; G119-V245 PolarHBondContact O-N 3.22Å; L120-V245 HydrophobicContact CD2-CB 3.95Å; L120-V245 HydrophobicContact CD2-CG1 3.96Å; L120-V245 HydrophobicContact CD2-CG2 3.99Å; L120-V245 HydrophobicContact CG-CG2 4.34Å; S206-V245 VanDerWaalsContact CB-CG1 3.43Å; S206-V245 WeakPolarHBondContact OG-CG1 3.42Å; V217-V245 HydrophobicContact CG1-CG2 3.74Å; V245-M247 PolarHBondContact O-N 3.36Å
246I94.8Very high93.8Very high40 Ų4055.6 Ų55.621%0.20527%0.272CS..PPolyproline II helixtrans-71122.5179.4-52.2-55.1000109.5V203 S206 D248 E253V203-I246 HydrophobicContact CG2-CG2 4.11Å; S206-I246 WeakPolarHBondContact CB-O 3.44Å; S206-I246 PolarHBondContact OG-O 3.29Å; I246-D248 WeakPolarHBondContact CG2-O 3.43Å; I246-E253 HydrophobicContact CD1-CB 3.89Å
247M93.7Very high93Very high43 Ų4358.1 Ų58.121%0.21228%0.284CS..  trans-123.35.5-177.7-69.8-172.3-80.100113.3L120 R207 Q210 V245L120-M247 WeakPolarHBondContact O-CE 3.48Å; R207-M247 VanDerWaalsContact CZ-O 3.26Å; R207-M247 PolarHBondContact NE-O 2.93Å; R207-M247 PolarHBondContact NH2-O 3.42Å; Q210-M247 PolarHBondContact NE2-SD 3.22Å; V245-M247 PolarHBondContact O-N 3.36Å
248D94Very high92.4Very high81 Ų8164.6 Ų64.643%0.43331%0.314SS..  trans-126136.6-176.9-172.961.8000109.5I246 E250I246-D248 WeakPolarHBondContact CG2-O 3.43Å; D248-E250 PolarHBondContact O-N 3.16Å; D248-E250 WeakPolarHBondContact OD2-CB 3.35Å; D248-E250 PolarHBondContact OD2-N 3.42Å
249Y95.4Very high91.7Very high145 Ų14569 Ų6957%0.56934%0.335SS*.THydrogen-bonded Turntrans-78.6-13.7-173.3-68.2-70.5000112.5V203 R207V203-Y249 HydrophobicContact CB-CD1 3.89Å; V203-Y249 HydrophobicContact CB-CE1 3.57Å; V203-Y249 HydrophobicContact CG1-CD1 3.89Å; V203-Y249 HydrophobicContact CG1-CD2 4.33Å; V203-Y249 HydrophobicContact CG1-CE1 3.59Å; V203-Y249 HydrophobicContact CG1-CE2 4.07Å; V203-Y249 HydrophobicContact CG1-CG 4.24Å; V203-Y249 HydrophobicContact CG2-CD1 4.06Å; V203-Y249 HydrophobicContact CG2-CE1 4.24Å; R207-Y249 VanDerWaalsContact NH1-CE2 3.26Å
250E95.7Very high91Very high138 Ų13869.5 Ų69.565%0.64534%0.338SS*.THydrogen-bonded Turntrans-95.6-11.9-174-64.969.5-178.300111.1D248 L252D248-E250 PolarHBondContact O-N 3.16Å; D248-E250 WeakPolarHBondContact OD2-CB 3.35Å; D248-E250 PolarHBondContact OD2-N 3.42Å; E250-L252 PolarHBondContact O-N 3.16Å
251S91.8Very high90.3Very high44 Ų4472.3 Ų72.331%0.30835%0.352SS..  trans-61.1134.9171.5-175.60000111.5E253S251-E253 PolarHBondContact OG-N 2.81Å
252L90.3Very high89.7Confident167 Ų16774.6 Ų74.687%0.87437%0.371SS*.  trans-94.9-9173.7-59.5178.6000112.5E250E250-L252 PolarHBondContact O-N 3.16Å
253E90.1Very high89.3Confident143 Ų14374.7 Ų74.767%0.66837%0.372SS*.  trans-70.8148.7178.6-65.8-177.817800111.1I246 S251I246-E253 HydrophobicContact CD1-CB 3.89Å; S251-E253 PolarHBondContact OG-N 2.81Å
254K87.4Confident88.7Confident169 Ų16974 Ų7474%0.73537%0.369SS*.  trans-135.2127.3179.9-65.4-179.5-177.7177.50109.7N256K254-N256 PolarHBondContact O-N 3.36Å; K254-N256 PolarHBondContact O-ND2 3.29Å; K254-N256 VanDerWaalsContact O-ND2 3.1Å
255A85.2Confident87.9Confident32 Ų3278 Ų7826%0.26439%0.386SS..  trans-57131.9171.800000110.2F200F200-A255 HydrophobicContact CB-CB 4.09Å; F200-A255 HydrophobicContact CD1-CB 3.99Å; F200-A255 HydrophobicContact CD2-CB 3.8Å; F200-A255 HydrophobicContact CE1-CB 4.35Å; F200-A255 HydrophobicContact CE2-CB 4.19Å; F200-A255 HydrophobicContact CG-CB 3.69Å; F200-A255 HydrophobicContact CZ-CB 4.45Å
256N87.8Confident87.2Confident46 Ų4685.2 Ų85.225%0.24642%0.419CS..  trans-143.7158.3177.362.678.5000110.6K254 E258 E259K254-N256 PolarHBondContact O-N 3.36Å; K254-N256 PolarHBondContact O-ND2 3.29Å; K254-N256 VanDerWaalsContact O-ND2 3.1Å; N256-E258 PolarHBondContact OD1-N 3.24Å; N256-E259 PolarHBondContact ND2-OE1 2.91Å; N256-E259 WeakPolarHBondContact OD1-CB 3.23Å; N256-E259 VanDerWaalsContact OD1-CG 3.32Å; N256-E259 WeakPolarHBondContact OD1-CG 3.4Å; N256-E259 PolarHBondContact OD1-N 2.96Å
257H81.7Confident86.6Confident56 Ų5683.5 Ų83.526%0.25941%0.411SS..Hα-helixtrans-77-28.1-173.2-172.464.7000112.2E259 V260 L261H257-E259 PolarHBondContact O-N 3.43Å; H257-V260 WeakPolarHBondContact O-CB 3.48Å; H257-V260 PolarHBondContact O-N 3.49Å; H257-V260 VanDerWaalsContact O-N 3.16Å; H257-L261 PolarHBondContact O-N 3.16Å; H257-L261 VanDerWaalsContact O-N 3.16Å
258E84.2Confident85.8Confident136 Ų13683.8 Ų83.864%0.63642%0.415SS*.Hα-helixtrans-62.4-43178.8-66.176.3-170.800111.6N256 V260 L261 A262N256-E258 PolarHBondContact OD1-N 3.24Å; E258-V260 VanDerWaalsContact C-N 3.3Å; E258-V260 PolarHBondContact O-N 3.09Å; E258-L261 PolarHBondContact O-N 3.18Å; E258-A262 PolarHBondContact O-N 2.83Å
259E83.8Confident84.9Confident97 Ų9786.6 Ų86.645%0.45343%0.426SS..Hα-helixtrans-60.6-38.5173-81171.2-157.100112.3N256 H257 L261 A262 A263N256-E259 PolarHBondContact ND2-OE1 2.91Å; N256-E259 WeakPolarHBondContact OD1-CB 3.23Å; N256-E259 VanDerWaalsContact OD1-CG 3.32Å; N256-E259 WeakPolarHBondContact OD1-CG 3.4Å; N256-E259 PolarHBondContact OD1-N 2.96Å; H257-E259 PolarHBondContact O-N 3.43Å; E259-L261 VanDerWaalsContact C-N 3.34Å; E259-L261 PolarHBondContact O-N 3.44Å; E259-A262 PolarHBondContact O-N 2.84Å; E259-A263 WeakPolarHBondContact O-CB 3.49Å; E259-A263 PolarHBondContact O-N 2.88Å
260V82.4Confident84.3Confident9 Ų983.3 Ų83.36%0.05542%0.415CS..Hα-helixtrans-60.2-45.9177.3175.80000111A116 T242 H257 E258 G264A116-V260 HydrophobicContact CB-CG1 3.55Å; T242-V260 HydrophobicContact CG2-CG1 4.05Å; H257-V260 WeakPolarHBondContact O-CB 3.48Å; H257-V260 PolarHBondContact O-N 3.49Å; H257-V260 VanDerWaalsContact O-N 3.16Å; E258-V260 VanDerWaalsContact C-N 3.3Å; E258-V260 PolarHBondContact O-N 3.09Å; V260-G264 PolarHBondContact O-N 3.01Å
261L80.9Confident83.5Confident59 Ų5977.4 Ų77.431%0.30939%0.387SS..Hα-helixtrans-66.5-38.6177.5-63.1178000111.9H257 E258 E259 G264 K265H257-L261 PolarHBondContact O-N 3.16Å; H257-L261 VanDerWaalsContact O-N 3.16Å; E258-L261 PolarHBondContact O-N 3.18Å; E259-L261 VanDerWaalsContact C-N 3.34Å; E259-L261 PolarHBondContact O-N 3.44Å; L261-G264 PolarHBondContact O-N 2.74Å; L261-K265 PolarHBondContact O-N 3.35Å
262A84.4Confident82.7Confident48 Ų4878.1 Ų78.140%0.39739%0.386SS..Hα-helixtrans-64.4-45.2177.400000112.1E258 E259 G264 K265 Q266E258-A262 PolarHBondContact O-N 2.83Å; E259-A262 PolarHBondContact O-N 2.84Å; A262-G264 VanDerWaalsContact C-N 3.35Å; A262-G264 PolarHBondContact O-N 2.74Å; A262-K265 PolarHBondContact O-N 2.99Å; A262-Q266 WeakPolarHBondContact O-CG 3.26Å; A262-Q266 PolarHBondContact O-N 3.21Å
263A85.1Confident82Confident6 Ų672.6 Ų72.65%0.0536%0.355CS..Hα-helixtrans-62.5-41.4175.900000111.7V126 T242 E259 K265 Q266 A267V126-A263 HydrophobicContact CG1-CB 4.14Å; T242-A263 HydrophobicContact CG2-CB 3.84Å; E259-A263 WeakPolarHBondContact O-CB 3.49Å; E259-A263 PolarHBondContact O-N 2.88Å; A263-K265 PolarHBondContact O-N 3.39Å; A263-Q266 PolarHBondContact O-N 2.93Å; A263-A267 WeakPolarHBondContact O-CB 3.21Å; A263-A267 PolarHBondContact O-N 3.35Å
264G82.1Confident81.6Confident0 Ų065.8 Ų65.80%032%0.323CS..Hα-helixtrans-55.8-48.3172.800000112.6V260 L261 A262 Q266 A267 T268V260-G264 PolarHBondContact O-N 3.01Å; L261-G264 PolarHBondContact O-N 2.74Å; A262-G264 VanDerWaalsContact C-N 3.35Å; A262-G264 PolarHBondContact O-N 2.74Å; G264-Q266 PolarHBondContact O-N 2.78Å; G264-A267 PolarHBondContact O-N 3.02Å; G264-A267 VanDerWaalsContact O-N 3.16Å; G264-T268 PolarHBondContact O-N 3.08Å; G264-T268 PolarHBondContact O-OG1 3.25Å
265K80Confident81.2Confident169 Ų16958 Ų5874%0.73529%0.29SS*.Hα-helixtrans-60.7-42.8177.8-171.1175.3179.7179.70112.3L261 A262 A263 A267 T268L261-K265 PolarHBondContact O-N 3.35Å; A262-K265 PolarHBondContact O-N 2.99Å; A263-K265 PolarHBondContact O-N 3.39Å; K265-A267 VanDerWaalsContact C-N 3.3Å; K265-A267 PolarHBondContact O-N 2.84Å; K265-T268 WeakPolarHBondContact O-CB 3.44Å; K265-T268 PolarHBondContact O-N 3.03Å; K265-T268 PolarHBondContact O-OG1 2.56Å
266Q81.2Confident80.6Confident162 Ų16259 Ų5976%0.75730%0.296SS*.Hα-helixtrans-67.1-31.3177.3-68.4175.711.500112.7A262 A263 G264 T268A262-Q266 WeakPolarHBondContact O-CG 3.26Å; A262-Q266 PolarHBondContact O-N 3.21Å; A263-Q266 PolarHBondContact O-N 2.93Å; G264-Q266 PolarHBondContact O-N 2.78Å; Q266-T268 VanDerWaalsContact C-N 3.33Å
267A82.4Confident80.1Confident3 Ų357.1 Ų57.13%0.02529%0.285CS..Hα-helixtrans-80.7-9.5-179.400000114.2L240 A263 G264 K265 Q269 K270 L271L240-A267 HydrophobicContact CD1-CB 3.48Å; L240-A267 VanDerWaalsContact CD1-CB 3.48Å; L240-A267 HydrophobicContact CD2-CB 3.54Å; L240-A267 HydrophobicContact CG-CB 4.18Å; A263-A267 WeakPolarHBondContact O-CB 3.21Å; A263-A267 PolarHBondContact O-N 3.35Å; G264-A267 PolarHBondContact O-N 3.02Å; G264-A267 VanDerWaalsContact O-N 3.16Å; K265-A267 VanDerWaalsContact C-N 3.3Å; K265-A267 PolarHBondContact O-N 2.84Å; A267-Q269 VanDerWaalsContact C-N 3.32Å; A267-Q269 PolarHBondContact O-N 3.21Å; A267-Q269 VanDerWaalsContact O-N 3.16Å; A267-K270 PolarHBondContact O-N 3.34Å; A267-L271 HydrophobicContact CB-CD1 3.74Å; A267-L271 HydrophobicContact CB-CG 4.15Å; A267-L271 WeakPolarHBondContact O-CD1 3.26Å; A267-L271 VanDerWaalsContact O-CG 3.26Å; A267-L271 WeakPolarHBondContact O-CG 3.33Å; A267-L271 PolarHBondContact O-N 2.92Å
268T74.9Confident80Confident49 Ų4954.6 Ų54.630%0.30127%0.274SS..Hα-helixtrans-46.4-50.5-173.2-53.60000113G264 K265 Q266 K270 L271 E272G264-T268 PolarHBondContact O-N 3.08Å; G264-T268 PolarHBondContact O-OG1 3.25Å; K265-T268 WeakPolarHBondContact O-CB 3.44Å; K265-T268 PolarHBondContact O-N 3.03Å; K265-T268 PolarHBondContact O-OG1 2.56Å; Q266-T268 VanDerWaalsContact C-N 3.33Å; T268-K270 PolarHBondContact O-N 3.39Å; T268-L271 WeakPolarHBondContact O-CB 3.38Å; T268-L271 PolarHBondContact O-N 3.45Å; T268-E272 WeakPolarHBondContact O-CG 3.49Å; T268-E272 PolarHBondContact O-N 3.49Å
269Q76.3Confident80.1Confident141 Ų14148.2 Ų48.266%0.65924%0.244SC*.Hα-helixtrans-63.9-41.6-178.3-170.7178.9600112.8A267 L271 E272 Q273A267-Q269 VanDerWaalsContact C-N 3.32Å; A267-Q269 PolarHBondContact O-N 3.21Å; A267-Q269 VanDerWaalsContact O-N 3.16Å; Q269-L271 VanDerWaalsContact C-N 3.33Å; Q269-E272 PolarHBondContact O-N 2.84Å; Q269-Q273 WeakPolarHBondContact O-CG 3.38Å; Q269-Q273 PolarHBondContact O-N 2.86Å; Q269-Q273 VanDerWaalsContact O-N 3.16Å
270K81.5Confident79.8Confident76 Ų7647.1 Ų47.133%0.3325%0.252SS..Hα-helixtrans-66.6-37177.1-70.4-179176.9178.40111.9I129 W178 A267 T268 Q273 L274I129-K270 HydrophobicContact CD1-CB 4.12Å; W178-K270 HydrophobicContact CH2-CB 4.4Å; A267-K270 PolarHBondContact O-N 3.34Å; T268-K270 PolarHBondContact O-N 3.39Å; K270-Q273 WeakPolarHBondContact O-CB 2.8Å; K270-Q273 PolarHBondContact O-N 3.41Å; K270-L274 PolarHBondContact O-N 3.27Å
271L79.4Confident79.5Confident14 Ų1447 Ų477%0.07325%0.251CS..Hα-helixtrans-67.8-42.2177.6-67.4161000111.4L35 I129 F238 A267 T268 Q269 Q273 L274 V275L35-L271 HydrophobicContact CD2-CD1 3.15Å; L35-L271 HydrophobicContact CD2-CD2 3.95Å; L35-L271 HydrophobicContact CD2-CG 4.17Å; I129-L271 HydrophobicContact CD1-CD2 4.05Å; I129-L271 HydrophobicContact CD1-CG 4.5Å; I129-L271 HydrophobicContact CG1-CD2 4.38Å; F238-L271 HydrophobicContact CD2-CD2 4.35Å; F238-L271 HydrophobicContact CE2-CD2 3.38Å; F238-L271 HydrophobicContact CZ-CD2 3.94Å; A267-L271 HydrophobicContact CB-CD1 3.74Å; A267-L271 HydrophobicContact CB-CG 4.15Å; A267-L271 WeakPolarHBondContact O-CD1 3.26Å; A267-L271 VanDerWaalsContact O-CG 3.26Å; A267-L271 WeakPolarHBondContact O-CG 3.33Å; A267-L271 PolarHBondContact O-N 2.92Å; T268-L271 WeakPolarHBondContact O-CB 3.38Å; T268-L271 PolarHBondContact O-N 3.45Å; Q269-L271 VanDerWaalsContact C-N 3.33Å; L271-Q273 VanDerWaalsContact C-N 3.31Å; L271-Q273 PolarHBondContact O-N 3.45Å; L271-L274 PolarHBondContact O-N 2.94Å; L271-V275 WeakPolarHBondContact O-CB 3.44Å; L271-V275 VanDerWaalsContact O-CG2 3.26Å; L271-V275 WeakPolarHBondContact O-CG2 3.23Å; L271-V275 PolarHBondContact O-N 3.24Å
272E74.8Confident79.6Confident59 Ų5944.3 Ų44.328%0.27624%0.237SC..Hα-helixtrans-57.9-44.8173.9-72.4174.4-167.200111.5K41 T268 Q269 V275 S276K41-E272 WeakPolarHBondContact CE-OE1 3.46Å; K41-E272 WeakPolarHBondContact CE-OE2 3.49Å; K41-E272 HydrophobicContact CG-CG 4.45Å; K41-E272 VanDerWaalsContact NZ-CD 3.28Å; K41-E272 IonicContact NZ-OE1 2.68Å; K41-E272 PolarHBondContact NZ-OE1 3.2Å; K41-E272 IonicContact NZ-OE2 3.34Å; K41-E272 PolarHBondContact NZ-OE2 3.42Å; T268-E272 WeakPolarHBondContact O-CG 3.49Å; T268-E272 PolarHBondContact O-N 3.49Å; Q269-E272 PolarHBondContact O-N 2.84Å; E272-V275 PolarHBondContact O-N 3Å; E272-S276 WeakPolarHBondContact O-CB 3.48Å; E272-S276 PolarHBondContact O-N 2.81Å
273Q76.5Confident79.2Confident50 Ų5043.8 Ų43.823%0.23423%0.229CC..Hα-helixtrans-60.6-47.1175.4-72.9172.9-29.300111.9M181 E183 Q269 K270 L271 V275 S276 I277M181-Q273 HydrophobicContact CE-CB 3.77Å; M181-Q273 HydrophobicContact CE-CG 3.77Å; E183-Q273 PolarHBondContact OE1-NE2 3.05Å; E183-Q273 PolarHBondContact OE1-OE1 3.07Å; Q269-Q273 WeakPolarHBondContact O-CG 3.38Å; Q269-Q273 PolarHBondContact O-N 2.86Å; Q269-Q273 VanDerWaalsContact O-N 3.16Å; K270-Q273 WeakPolarHBondContact O-CB 2.8Å; K270-Q273 PolarHBondContact O-N 3.41Å; L271-Q273 VanDerWaalsContact C-N 3.31Å; L271-Q273 PolarHBondContact O-N 3.45Å; Q273-V275 VanDerWaalsContact C-N 3.34Å; Q273-V275 PolarHBondContact O-N 2.82Å; Q273-S276 WeakPolarHBondContact O-CB 3.3Å; Q273-S276 PolarHBondContact O-N 3.2Å; Q273-I277 WeakPolarHBondContact O-CG1 3.31Å; Q273-I277 PolarHBondContact O-N 2.97Å
274L82.4Confident78.6Confident0 Ų048 Ų480%026%0.256CS..Hα-helixtrans-63.2-41.2177.8-176.868.6000111.9I129 W178 L187 F238 K270 L271 S276 I277 L278I129-L274 HydrophobicContact CD1-CD2 4.23Å; I129-L274 HydrophobicContact CG2-CD2 3.73Å; W178-L274 HydrophobicContact CE3-CD1 4.14Å; W178-L274 HydrophobicContact CZ3-CB 4.22Å; W178-L274 HydrophobicContact CZ3-CD1 4.42Å; L187-L274 HydrophobicContact CD1-CD1 4.33Å; L187-L274 HydrophobicContact CD2-CD1 4.22Å; F238-L274 HydrophobicContact CD1-CD2 3.82Å; F238-L274 HydrophobicContact CD2-CD2 4.11Å; F238-L274 HydrophobicContact CE1-CD2 3.91Å; F238-L274 HydrophobicContact CE2-CD2 4.24Å; F238-L274 HydrophobicContact CG-CD2 3.88Å; F238-L274 HydrophobicContact CZ-CD2 4.11Å; K270-L274 PolarHBondContact O-N 3.27Å; L271-L274 PolarHBondContact O-N 2.94Å; L274-S276 VanDerWaalsContact C-N 3.27Å; L274-S276 PolarHBondContact O-N 2.7Å; L274-I277 WeakPolarHBondContact O-CB 3.46Å; L274-I277 PolarHBondContact O-N 3.3Å; L274-L278 VanDerWaalsContact O-CB 3.27Å; L274-L278 WeakPolarHBondContact O-CB 3.39Å; L274-L278 PolarHBondContact O-N 3.08Å
275V78.8Confident78.1Confident5 Ų551.4 Ų51.43%0.0328%0.278CS..Hα-helixtrans-66.7-35.3178.11760000110.6L38 L73 L271 E272 Q273 L278 M279L38-V275 HydrophobicContact CD1-CB 3.92Å; L38-V275 HydrophobicContact CD1-CG1 3.84Å; L38-V275 HydrophobicContact CD1-CG2 3.79Å; L38-V275 HydrophobicContact CD2-CG1 4.19Å; L38-V275 HydrophobicContact CD2-CG2 3.83Å; L38-V275 HydrophobicContact CG-CG2 4.47Å; L73-V275 HydrophobicContact CD2-CG1 3.32Å; L73-V275 HydrophobicContact CG-CG1 4.19Å; L271-V275 WeakPolarHBondContact O-CB 3.44Å; L271-V275 VanDerWaalsContact O-CG2 3.26Å; L271-V275 WeakPolarHBondContact O-CG2 3.23Å; L271-V275 PolarHBondContact O-N 3.24Å; E272-V275 PolarHBondContact O-N 3Å; Q273-V275 VanDerWaalsContact C-N 3.34Å; Q273-V275 PolarHBondContact O-N 2.82Å; V275-L278 WeakPolarHBondContact O-CB 3.46Å; V275-L278 PolarHBondContact O-N 3.29Å; V275-M279 HydrophobicContact CG1-CE 4.45Å; V275-M279 HydrophobicContact CG1-CG 4.25Å; V275-M279 WeakPolarHBondContact O-CG 3.15Å; V275-M279 PolarHBondContact O-N 2.92Å
276S72.4Confident77.3Confident55 Ų5550.1 Ų50.139%0.38528%0.28SS..Hα-helixtrans-60.2-47.6172.5-177.20000112.3N74 E272 Q273 L274 L278 A280N74-S276 WeakPolarHBondContact ND2-CA 3.43Å; N74-S276 VanDerWaalsContact ND2-CB 3.3Å; N74-S276 WeakPolarHBondContact ND2-CB 3.32Å; N74-S276 PolarHBondContact ND2-OG 2.8Å; E272-S276 WeakPolarHBondContact O-CB 3.48Å; E272-S276 PolarHBondContact O-N 2.81Å; Q273-S276 WeakPolarHBondContact O-CB 3.3Å; Q273-S276 PolarHBondContact O-N 3.2Å; L274-S276 VanDerWaalsContact C-N 3.27Å; L274-S276 PolarHBondContact O-N 2.7Å; S276-L278 VanDerWaalsContact C-N 3.26Å; S276-L278 PolarHBondContact O-N 2.86Å; S276-A280 PolarHBondContact O-N 2.94Å
277I76Confident75.4Confident6 Ų651.8 Ų51.83%0.03128%0.284CS..Hα-helixtrans-55-45172.1-73.4164.1000111.2M177 W178 M181 Q273 L274 A280 S281M177-I277 HydrophobicContact CB-CB 4.31Å; M177-I277 HydrophobicContact CB-CD1 4.29Å; M177-I277 HydrophobicContact CB-CG1 3.98Å; M177-I277 HydrophobicContact CB-CG2 3.49Å; M177-I277 VanDerWaalsContact CB-CG2 3.49Å; M177-I277 HydrophobicContact CE-CB 4.01Å; M177-I277 HydrophobicContact CE-CG1 4.07Å; M177-I277 HydrophobicContact CE-CG2 3.88Å; M177-I277 HydrophobicContact CG-CG2 4.16Å; M177-I277 HydrophobicContact SD-CG2 3.72Å; W178-I277 HydrophobicContact CE3-CD1 4.03Å; M181-I277 HydrophobicContact CG-CD1 4.43Å; M181-I277 HydrophobicContact SD-CD1 3.23Å; M181-I277 WeakPolarHBondContact SD-CD1 3.32Å; M181-I277 HydrophobicContact SD-CG1 3.67Å; Q273-I277 WeakPolarHBondContact O-CG1 3.31Å; Q273-I277 PolarHBondContact O-N 2.97Å; L274-I277 WeakPolarHBondContact O-CB 3.46Å; L274-I277 PolarHBondContact O-N 3.3Å; I277-A280 PolarHBondContact O-N 3.43Å; I277-S281 WeakPolarHBondContact O-CB 3.1Å; I277-S281 PolarHBondContact O-N 3.31Å; I277-S281 VanDerWaalsContact O-N 3.09Å; I277-S281 PolarHBondContact O-OG 2.97Å
278L81.3Confident73.2Confident3 Ų356.7 Ų56.72%0.01633%0.325CS..Hα-helixtrans-67.2-47.3-174.2-169.8154.7000111.5V112 M170 F236 L274 V275 S276 A280 S281 I282V112-L278 HydrophobicContact CG1-CD1 3.77Å; V112-L278 HydrophobicContact CG2-CD1 4.06Å; V112-L278 HydrophobicContact CG2-CD2 3.47Å; V112-L278 VanDerWaalsContact CG2-CD2 3.47Å; V112-L278 HydrophobicContact CG2-CG 4.42Å; M170-L278 HydrophobicContact CE-CD2 4.07Å; M170-L278 HydrophobicContact CE-CG 4.13Å; F236-L278 HydrophobicContact CD1-CD1 3.2Å; F236-L278 HydrophobicContact CD1-CG 4.29Å; F236-L278 HydrophobicContact CE1-CD1 3.22Å; F236-L278 HydrophobicContact CE1-CG 4.35Å; F236-L278 HydrophobicContact CG-CD1 4.03Å; F236-L278 HydrophobicContact CZ-CD1 4.07Å; L274-L278 VanDerWaalsContact O-CB 3.27Å; L274-L278 WeakPolarHBondContact O-CB 3.39Å; L274-L278 PolarHBondContact O-N 3.08Å; V275-L278 WeakPolarHBondContact O-CB 3.46Å; V275-L278 PolarHBondContact O-N 3.29Å; S276-L278 VanDerWaalsContact C-N 3.26Å; S276-L278 PolarHBondContact O-N 2.86Å; L278-A280 VanDerWaalsContact C-N 3.27Å; L278-A280 PolarHBondContact O-N 2.71Å; L278-S281 WeakPolarHBondContact O-CA 3.46Å; L278-S281 WeakPolarHBondContact O-CB 3.38Å; L278-S281 PolarHBondContact O-N 3.12Å; L278-I282 HydrophobicContact CD2-CD1 3.61Å; L278-I282 HydrophobicContact CD2-CG1 4.15Å; L278-I282 WeakPolarHBondContact O-CG1 3.4Å; L278-I282 PolarHBondContact O-N 2.72Å; L278-I282 VanDerWaalsContact O-N 3.16Å
279M85.9Confident71.1Confident2 Ų263.3 Ų63.31%0.0137%0.373CS..Hα-helixtrans-59.7-38.7179-68.5-62.7108.600111.8V27 I29 L73 N74 K76 C78 V275 S281 I282V27-M279 HydrophobicContact CG1-CE 3.94Å; I29-M279 HydrophobicContact CD1-CE 3.89Å; L73-M279 HydrophobicContact CB-CG 4.29Å; L73-M279 HydrophobicContact CB-SD 4.19Å; L73-M279 HydrophobicContact CD2-CG 4.18Å; L73-M279 HydrophobicContact CD2-SD 4.25Å; L73-M279 HydrophobicContact CG-CG 4.07Å; L73-M279 HydrophobicContact CG-SD 4.43Å; N74-M279 HydrophobicContact CB-CB 4.02Å; N74-M279 HydrophobicContact CB-CG 4.41Å; K76-M279 HydrophobicContact CB-SD 3.88Å; K76-M279 WeakPolarHBondContact CE-O 3.47Å; K76-M279 HydrophobicContact CG-CB 4.18Å; K76-M279 HydrophobicContact CG-SD 4.2Å; C78-M279 VanDerWaalsContact SG-SD 3.7Å; V275-M279 HydrophobicContact CG1-CE 4.45Å; V275-M279 HydrophobicContact CG1-CG 4.25Å; V275-M279 WeakPolarHBondContact O-CG 3.15Å; V275-M279 PolarHBondContact O-N 2.92Å; M279-S281 VanDerWaalsContact C-N 3.28Å; M279-S281 PolarHBondContact O-N 2.62Å; M279-I282 HydrophobicContact CE-CD1 3.84Å; M279-I282 PolarHBondContact O-N 3.07Å
280A76.1Confident70.8Confident74 Ų7459.5 Ų59.561%0.61236%0.359SS*.Hα-helixtrans-68.6-26.717400000113M177 S276 I277 L278M177-A280 HydrophobicContact CE-CB 4.09Å; S276-A280 PolarHBondContact O-N 2.94Å; I277-A280 PolarHBondContact O-N 3.43Å; L278-A280 VanDerWaalsContact C-N 3.27Å; L278-A280 PolarHBondContact O-N 2.71Å
281S76.2Confident70.2Confident5 Ų558.6 Ų58.64%0.03536%0.36CS..Hα-helixtrans-80.9-18.6179.7-63.80000114R173 M177 I277 L278 M279R173-S281 WeakPolarHBondContact CB-OG 3.35Å; R173-S281 PolarHBondContact NH1-O 2.78Å; M177-S281 PolarHBondContact SD-OG 2.88Å; I277-S281 WeakPolarHBondContact O-CB 3.1Å; I277-S281 PolarHBondContact O-N 3.31Å; I277-S281 VanDerWaalsContact O-N 3.09Å; I277-S281 PolarHBondContact O-OG 2.97Å; L278-S281 WeakPolarHBondContact O-CA 3.46Å; L278-S281 WeakPolarHBondContact O-CB 3.38Å; L278-S281 PolarHBondContact O-N 3.12Å; M279-S281 VanDerWaalsContact C-N 3.28Å; M279-S281 PolarHBondContact O-N 2.62Å
282I83.1Confident69.7Low4 Ų461.1 Ų61.12%0.02138%0.376CS..SBendtrans-76.1118.9179.9-66.2172.9000109.5V27 K76 T110 M170 L278 M279V27-I282 HydrophobicContact CB-CD1 4.26Å; V27-I282 HydrophobicContact CG1-CD1 3.7Å; V27-I282 HydrophobicContact CG2-CD1 3.49Å; V27-I282 VanDerWaalsContact CG2-CD1 3.49Å; V27-I282 HydrophobicContact CG2-CG2 4.17Å; K76-I282 PolarHBondContact NZ-O 3.14Å; T110-I282 HydrophobicContact CG2-CD1 3.92Å; T110-I282 HydrophobicContact CG2-CG1 4.25Å; M170-I282 HydrophobicContact CE-CD1 4.18Å; M170-I282 HydrophobicContact CE-CG1 3.61Å; L278-I282 HydrophobicContact CD2-CD1 3.61Å; L278-I282 HydrophobicContact CD2-CG1 4.15Å; L278-I282 WeakPolarHBondContact O-CG1 3.4Å; L278-I282 PolarHBondContact O-N 2.72Å; L278-I282 VanDerWaalsContact O-N 3.16Å; M279-I282 HydrophobicContact CE-CD1 3.84Å; M279-I282 PolarHBondContact O-N 3.07Å
283P77.5Confident69.4Low37 Ų3761.2 Ų61.224%0.2438%0.382CS..PPolyproline II helixtrans-60.7154.4177.727.9-33.6000110.6Q26Q26-P283 PolarHBondContact NE2-O 2.84Å
284P72.5Confident69Low94 Ų9461.9 Ų61.961%0.6139%0.391SS*.PPolyproline II helixtrans-55.7155.8164.427.4-33000109.5D286P284-D286 PolarHBondContact O-N 3.24Å
285P70.4Confident68.1Low72 Ų7266 Ų6647%0.46842%0.418SS..PPolyproline II helixtrans-55.1137.6175-1121.2000108.1Q26 K287Q26-P285 HydrophobicContact CG-CG 4.15Å; Q26-P285 VanDerWaalsContact NE2-CD 3.32Å; Q26-P285 VanDerWaalsContact NE2-N 3.19Å; P285-K287 PolarHBondContact O-N 3.21Å
286D63.4Low67.3Low142 Ų14270.4 Ų70.476%0.75945%0.445SS*.PPolyproline II helixtrans-57.5117.3171-70.2-38.6000106.6P284 A288P284-D286 PolarHBondContact O-N 3.24Å; D286-A288 PolarHBondContact O-N 2.8Å
287K41.4Very low67Low197 Ų19771.5 Ų71.586%0.85745%0.45SS*.  trans-58.5114.6168.9-74.4-174.8179-178.10104.7P285 S289P285-K287 PolarHBondContact O-N 3.21Å; K287-S289 VanDerWaalsContact C-N 3.34Å; K287-S289 PolarHBondContact O-N 3.47Å
288A36.1Very low66.2Low106 Ų10677 Ų7788%0.87649%0.485SS*.  trans-50.3107.3168.100000106.8D286D286-A288 PolarHBondContact O-N 2.8Å
289S30.6Very low64.8Low188 Ų18883.7 Ų83.7100%1.31553%0.527SS*.  trans-73.50171.556.30000109.2K287K287-S289 VanDerWaalsContact C-N 3.34Å; K287-S289 PolarHBondContact O-N 3.47Å

Retrieved 289 of 289 residues in 341.5 ms (Link to these results)

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