A0A096NW31_PAPAN Loading...

Katanin p60 ATPase-containing subunit A1

Catalytic subunit of a complex which severs microtubules in an ATP-dependent manner. Microtubule severing may promote rapid reorganization of cellular microtubule arrays and the release of microtubules from the centrosome following nucleation. Microtubule release from the mitotic spindle poles may allow depolymerization of the microtubule end proximal to the spindle pole, leading to poleward microtubule flux and poleward motion of chromosome. Microtubule release within the cell body of neurons may be required for their transport into neuronal processes by microtubule-dependent motor proteins. This transport is required for axonal growth.

AlphaFold DB (Q4R407), UniProt , Accession A0A096NW31, Species PAPAN (Papio anubis, Olive baboon), Gene KATNA1, Length 491 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
1M56.5Low83.1Confident136 Ų13679.7 Ų79.767%0.6741%0.411SS*.  0112.90-97.6179.6-93.900107.5L3 K38M1-L3 PolarHBondContact O-N 2.73Å; M1-K38 HydrophobicContact CE-CB 3.44Å; M1-K38 VanDerWaalsContact CE-CB 3.44Å; M1-K38 HydrophobicContact SD-CB 3.98Å
2S67.5Low83.8Confident52 Ų5277.9 Ų77.936%0.36440%0.402SS..  trans-75.9126178.174.80000108.4L4 M5S2-L4 PolarHBondContact O-N 3.36Å; S2-M5 PolarHBondContact O-N 3.06Å; S2-M5 VanDerWaalsContact O-N 3.13Å; S2-M5 WeakPolarHBondContact OG-CB 3.28Å; S2-M5 VanDerWaalsContact OG-CG 3.23Å; S2-M5 WeakPolarHBondContact OG-CG 3.39Å; S2-M5 PolarHBondContact OG-N 2.74Å
3L78.9Confident84.6Confident90 Ų9071.9 Ų71.947%0.47137%0.371SS..Hα-helixtrans-57.4-27.6174.3-126.3123000111.4M1 I6 S7 Y39 W52M1-L3 PolarHBondContact O-N 2.73Å; L3-I6 PolarHBondContact O-N 3.25Å; L3-S7 PolarHBondContact O-N 3.19Å; L3-Y39 HydrophobicContact CD1-CE2 4.24Å; L3-W52 HydrophobicContact CD1-CZ2 4.09Å; L3-W52 HydrophobicContact CD2-CH2 3.79Å; L3-W52 HydrophobicContact CD2-CZ2 3.76Å; L3-W52 HydrophobicContact CG-CH2 4.07Å; L3-W52 HydrophobicContact CG-CZ2 4.05Å
4L82.9Confident85.3Confident117 Ų11774.6 Ų74.661%0.61337%0.374SS*.Hα-helixtrans-58.1-48.5173.1-90.2151.4000112.6S2 I6 S7 E8S2-L4 PolarHBondContact O-N 3.36Å; L4-I6 VanDerWaalsContact C-N 3.3Å; L4-I6 PolarHBondContact O-N 3.02Å; L4-S7 PolarHBondContact O-N 3.3Å; L4-S7 PolarHBondContact O-OG 3.45Å; L4-E8 PolarHBondContact O-N 3.07Å
5M84Confident85.9Confident112 Ų11276.9 Ų76.955%0.55238%0.384SS*.Hα-helixtrans-60.8-38.9179.5-83.7175.3167.300112.2S2 S7 E8 N9S2-M5 PolarHBondContact O-N 3.06Å; S2-M5 VanDerWaalsContact O-N 3.13Å; S2-M5 WeakPolarHBondContact OG-CB 3.28Å; S2-M5 VanDerWaalsContact OG-CG 3.23Å; S2-M5 WeakPolarHBondContact OG-CG 3.39Å; S2-M5 PolarHBondContact OG-N 2.74Å; M5-S7 VanDerWaalsContact C-N 3.32Å; M5-S7 PolarHBondContact O-N 3.12Å; M5-E8 PolarHBondContact O-N 3.32Å; M5-N9 VanDerWaalsContact O-CB 3.3Å; M5-N9 WeakPolarHBondContact O-CB 3.48Å; M5-N9 PolarHBondContact O-N 3.35Å; M5-N9 PolarHBondContact O-ND2 3.13Å; M5-N9 VanDerWaalsContact O-ND2 3.08Å
6I87.2Confident86.4Confident10 Ų1076.5 Ų76.55%0.05138%0.377CS..Hα-helixtrans-62.4-44.5176.2-61.2177.2000109.6L3 L4 N9 V10 V32 Q35 M36L3-I6 PolarHBondContact O-N 3.25Å; L4-I6 VanDerWaalsContact C-N 3.3Å; L4-I6 PolarHBondContact O-N 3.02Å; I6-N9 PolarHBondContact O-N 2.72Å; I6-V10 VanDerWaalsContact O-CG2 3.26Å; I6-V10 WeakPolarHBondContact O-CG2 3.3Å; I6-V10 PolarHBondContact O-N 3.4Å; I6-V32 HydrophobicContact CG2-CG1 4.26Å; I6-Q35 HydrophobicContact CD1-CB 4.4Å; I6-Q35 HydrophobicContact CG1-CB 4.19Å; I6-M36 HydrophobicContact CD1-CG 4.42Å; I6-M36 HydrophobicContact CG2-CG 3.9Å; I6-M36 HydrophobicContact CG2-SD 4.44Å
7S89.1Confident86.8Confident54 Ų5473.2 Ų73.238%0.37836%0.364SS..Hα-helixtrans-66.9-38.4-179.783.40000113.4L3 L4 M5 K11L3-S7 PolarHBondContact O-N 3.19Å; L4-S7 PolarHBondContact O-N 3.3Å; L4-S7 PolarHBondContact O-OG 3.45Å; M5-S7 VanDerWaalsContact C-N 3.32Å; M5-S7 PolarHBondContact O-N 3.12Å; S7-K11 PolarHBondContact O-N 3.1Å; S7-K11 VanDerWaalsContact O-N 3.11Å
8E90.8Very high87.1Confident105 Ų10577.7 Ų77.749%0.49139%0.389SS..Hα-helixtrans-68.1-45.1177.5-75173.8168.500110.7L4 M5 V10 K11 L12L4-E8 PolarHBondContact O-N 3.07Å; M5-E8 PolarHBondContact O-N 3.32Å; E8-V10 VanDerWaalsContact C-N 3.31Å; E8-V10 PolarHBondContact O-N 2.96Å; E8-K11 WeakPolarHBondContact O-CB 3.33Å; E8-K11 PolarHBondContact O-N 3.16Å; E8-K11 VanDerWaalsContact O-N 3.13Å; E8-L12 WeakPolarHBondContact O-CG 3.45Å; E8-L12 PolarHBondContact O-N 3.06Å
9N91Very high87.4Confident35 Ų3580.4 Ų80.419%0.18740%0.404CS..Hα-helixtrans-63.3-36.3177.4-70.6-27.8000112.2M5 I6 A13 V32 Q35M5-N9 VanDerWaalsContact O-CB 3.3Å; M5-N9 WeakPolarHBondContact O-CB 3.48Å; M5-N9 PolarHBondContact O-N 3.35Å; M5-N9 PolarHBondContact O-ND2 3.13Å; M5-N9 VanDerWaalsContact O-ND2 3.08Å; I6-N9 PolarHBondContact O-N 2.72Å; N9-A13 VanDerWaalsContact O-CB 3.31Å; N9-A13 WeakPolarHBondContact O-CB 3.15Å; N9-A13 PolarHBondContact O-N 3.25Å; N9-V32 HydrophobicContact CB-CG2 3.42Å; N9-V32 VanDerWaalsContact CB-CG2 3.42Å; N9-Q35 PolarHBondContact ND2-OE1 3.35Å
10V92.8Very high87.5Confident16 Ų1678.3 Ų78.310%0.09740%0.403CS..Hα-helixtrans-64.9-42.1173.3171.30000111.4I6 E8 A13 R14 V32 I59I6-V10 VanDerWaalsContact O-CG2 3.26Å; I6-V10 WeakPolarHBondContact O-CG2 3.3Å; I6-V10 PolarHBondContact O-N 3.4Å; E8-V10 VanDerWaalsContact C-N 3.31Å; E8-V10 PolarHBondContact O-N 2.96Å; V10-A13 PolarHBondContact O-N 3.46Å; V10-R14 WeakPolarHBondContact O-CG 3.42Å; V10-R14 PolarHBondContact O-N 2.98Å; V10-R14 VanDerWaalsContact O-N 3.11Å; V10-V32 HydrophobicContact CG2-CB 4.3Å; V10-V32 HydrophobicContact CG2-CG1 3.48Å; V10-V32 VanDerWaalsContact CG2-CG1 3.48Å; V10-V32 HydrophobicContact CG2-CG2 3.84Å; V10-I59 HydrophobicContact CG2-CD1 3.8Å
11K93.2Very high87.7Confident150 Ų15077.7 Ų77.765%0.65240%0.401SS*.Hα-helixtrans-61.9-48.2176.2-78.2-179.8178.5179.30111.3S7 E8 A13 R14 E15S7-K11 PolarHBondContact O-N 3.1Å; S7-K11 VanDerWaalsContact O-N 3.11Å; E8-K11 WeakPolarHBondContact O-CB 3.33Å; E8-K11 PolarHBondContact O-N 3.16Å; E8-K11 VanDerWaalsContact O-N 3.13Å; K11-A13 PolarHBondContact O-N 3.14Å; K11-R14 PolarHBondContact O-N 3.26Å; K11-E15 WeakPolarHBondContact O-CB 3.4Å; K11-E15 PolarHBondContact O-N 3.25Å
12L92.4Very high89.4Confident58 Ų5874 Ų7430%0.30438%0.38SS..Hα-helixtrans-59.8-44.6176.7-72.3170.7000111.5E8 R14 E15 Y16 Y28E8-L12 WeakPolarHBondContact O-CG 3.45Å; E8-L12 PolarHBondContact O-N 3.06Å; L12-R14 VanDerWaalsContact C-N 3.31Å; L12-R14 PolarHBondContact O-N 3.16Å; L12-E15 PolarHBondContact O-N 3.23Å; L12-Y16 HydrophobicContact CB-CD2 4.38Å; L12-Y16 HydrophobicContact CB-CE2 4.23Å; L12-Y16 HydrophobicContact CD2-CE2 4.39Å; L12-Y16 WeakPolarHBondContact O-CD2 3.46Å; L12-Y16 PolarHBondContact O-N 2.98Å; L12-Y28 HydrophobicContact CB-CD1 4.31Å; L12-Y28 HydrophobicContact CB-CE1 4.35Å; L12-Y28 HydrophobicContact CD1-CE1 3.98Å
13A93.2Very high90.6Very high0 Ų076.9 Ų76.90%039%0.392CS..Hα-helixtrans-57.1-43.6177.500000112.3N9 V10 K11 A17 Y29N9-A13 VanDerWaalsContact O-CB 3.31Å; N9-A13 WeakPolarHBondContact O-CB 3.15Å; N9-A13 PolarHBondContact O-N 3.25Å; V10-A13 PolarHBondContact O-N 3.46Å; K11-A13 PolarHBondContact O-N 3.14Å; A13-A17 WeakPolarHBondContact O-CB 3.46Å; A13-A17 PolarHBondContact O-N 3.47Å; A13-A17 VanDerWaalsContact O-N 3.13Å; A13-Y29 HydrophobicContact CB-CD1 3.91Å; A13-Y29 HydrophobicContact CB-CD2 3.88Å; A13-Y29 HydrophobicContact CB-CE1 3.84Å; A13-Y29 HydrophobicContact CB-CE2 3.78Å; A13-Y29 HydrophobicContact CB-CG 3.92Å
14R95.3Very high91.2Very high109 Ų10974.5 Ų74.541%0.41138%0.382SS..Hα-helixtrans-69.1-39.9177.1-72.4173.5173.5170.7-2.3112.2V10 K11 L12 A17 L18 Y29 E62V10-R14 WeakPolarHBondContact O-CG 3.42Å; V10-R14 PolarHBondContact O-N 2.98Å; V10-R14 VanDerWaalsContact O-N 3.11Å; K11-R14 PolarHBondContact O-N 3.26Å; L12-R14 VanDerWaalsContact C-N 3.31Å; L12-R14 PolarHBondContact O-N 3.16Å; R14-A17 PolarHBondContact O-N 3.39Å; R14-L18 WeakPolarHBondContact O-CG 3.44Å; R14-L18 PolarHBondContact O-N 3.1Å; R14-Y29 VanDerWaalsContact CG-OH 3.3Å; R14-Y29 WeakPolarHBondContact CG-OH 3.42Å; R14-E62 IonicContact CZ-OE1 2.82Å; R14-E62 IonicContact CZ-OE2 3.99Å; R14-E62 IonicContact NE-OE1 3.9Å; R14-E62 IonicContact NE-OE2 2.73Å; R14-E62 PolarHBondContact NE-OE2 2.97Å; R14-E62 IonicContact NH2-OE1 3.34Å; R14-E62 PolarHBondContact NH2-OE1 3.5Å; R14-E62 IonicContact NH2-OE2 3.63Å; R14-E62 PolarHBondContact NH2-OE2 3.21Å
15E94.1Very high91.7Very high110 Ų11069 Ų6951%0.51435%0.353SS..Hα-helixtrans-65-46178-168.2173-172.800111.8K11 L12 A17 L18 L19K11-E15 WeakPolarHBondContact O-CB 3.4Å; K11-E15 PolarHBondContact O-N 3.25Å; L12-E15 PolarHBondContact O-N 3.23Å; E15-A17 VanDerWaalsContact C-N 3.3Å; E15-A17 PolarHBondContact O-N 3.14Å; E15-L18 PolarHBondContact O-N 3.46Å; E15-L18 VanDerWaalsContact O-N 3.15Å; E15-L19 HydrophobicContact CG-CD1 4.21Å; E15-L19 WeakPolarHBondContact O-CG 3.46Å; E15-L19 PolarHBondContact O-N 2.92Å
16Y93.8Very high92.2Very high70 Ų7064.9 Ų64.928%0.27533%0.333SS..Hα-helixtrans-62-36.8174.5-75.7-60.4000112.8L12 L19 G20 N21 Y28L12-Y16 HydrophobicContact CB-CD2 4.38Å; L12-Y16 HydrophobicContact CB-CE2 4.23Å; L12-Y16 HydrophobicContact CD2-CE2 4.39Å; L12-Y16 WeakPolarHBondContact O-CD2 3.46Å; L12-Y16 PolarHBondContact O-N 2.98Å; Y16-L19 PolarHBondContact O-N 2.86Å; Y16-G20 PolarHBondContact O-N 3.31Å; Y16-N21 HydrophobicContact CD1-CB 4.36Å; Y16-N21 PolarHBondContact O-N 2.89Å; Y16-Y28 AromaticContact CD2-CD2 3.58Å; Y16-Y28 HydrophobicContact CD2-CD2 3.58Å; Y16-Y28 AromaticContact CD2-CE2 3.56Å; Y16-Y28 HydrophobicContact CD2-CE2 3.56Å; Y16-Y28 AromaticContact CE2-CD2 3.7Å; Y16-Y28 HydrophobicContact CE2-CD2 3.7Å; Y16-Y28 AromaticContact CE2-CE2 3.14Å; Y16-Y28 HydrophobicContact CE2-CE2 3.14Å; Y16-Y28 AromaticContact CE2-CZ 3.81Å
17A92.3Very high92.5Very high20 Ų2069.2 Ų69.217%0.16536%0.36CS..Hα-helixtrans-64.7-39.6174.900000111.9A13 R14 E15 G20 A25 V66A13-A17 WeakPolarHBondContact O-CB 3.46Å; A13-A17 PolarHBondContact O-N 3.47Å; A13-A17 VanDerWaalsContact O-N 3.13Å; R14-A17 PolarHBondContact O-N 3.39Å; E15-A17 VanDerWaalsContact C-N 3.3Å; E15-A17 PolarHBondContact O-N 3.14Å; A17-G20 PolarHBondContact O-N 3.19Å; A17-A25 HydrophobicContact CB-CB 4.06Å; A17-V66 HydrophobicContact CB-CG2 4.09Å
18L92.8Very high92.7Very high155 Ų15570.2 Ų70.281%0.81236%0.356SS*.Hα-helixtrans-69.6-33.4176.3-72.1170.8000112.9R14 E15 G20R14-L18 WeakPolarHBondContact O-CG 3.44Å; R14-L18 PolarHBondContact O-N 3.1Å; E15-L18 PolarHBondContact O-N 3.46Å; E15-L18 VanDerWaalsContact O-N 3.15Å; L18-G20 PolarHBondContact O-N 3.44Å
19L92.4Very high92.9Very high128 Ų12865.5 Ų65.567%0.6733%0.334SS*.THydrogen-bonded Turntrans-76.8-2.3177-68.5171.6000113.6E15 Y16 N21E15-L19 HydrophobicContact CG-CD1 4.21Å; E15-L19 WeakPolarHBondContact O-CG 3.46Å; E15-L19 PolarHBondContact O-N 2.92Å; Y16-L19 PolarHBondContact O-N 2.86Å; L19-N21 VanDerWaalsContact C-N 3.29Å; L19-N21 PolarHBondContact O-N 3.06Å
20G90.2Very high93Very high38 Ų3869.2 Ų69.239%0.39235%0.35SS..THydrogen-bonded Turntrans77.510-179.200000114.6Y16 A17 L18 Y22Y16-G20 PolarHBondContact O-N 3.31Å; A17-G20 PolarHBondContact O-N 3.19Å; L18-G20 PolarHBondContact O-N 3.44Å; G20-Y22 WeakPolarHBondContact O-CD2 3.49Å; G20-Y22 PolarHBondContact O-N 3.3Å
21N91.3Very high92.9Very high67 Ų6769.9 Ų69.936%0.35836%0.36SS..  trans-9373.1175.6-170.8-14000110Y16 L19 D23 S24 A25Y16-N21 HydrophobicContact CD1-CB 4.36Å; Y16-N21 PolarHBondContact O-N 2.89Å; L19-N21 VanDerWaalsContact C-N 3.29Å; L19-N21 PolarHBondContact O-N 3.06Å; N21-D23 PolarHBondContact O-N 3.21Å; N21-S24 VanDerWaalsContact CG-OG 3.29Å; N21-S24 PolarHBondContact ND2-OG 3.44Å; N21-S24 VanDerWaalsContact ND2-OG 3.14Å; N21-S24 PolarHBondContact O-N 2.69Å; N21-S24 WeakPolarHBondContact OD1-CB 3.39Å; N21-S24 PolarHBondContact OD1-N 2.97Å; N21-S24 PolarHBondContact OD1-OG 3.32Å; N21-A25 PolarHBondContact O-N 3.16Å; N21-A25 VanDerWaalsContact O-N 3.08Å
22Y93.1Very high92.9Very high59 Ų5962.7 Ų62.723%0.23133%0.329CS..Hα-helixtrans-67.3-32.6-172.5-56.2-67.7000113.6G20 A25 M26 V66 I69 M70 L73G20-Y22 WeakPolarHBondContact O-CD2 3.49Å; G20-Y22 PolarHBondContact O-N 3.3Å; Y22-A25 PolarHBondContact O-N 3.28Å; Y22-M26 WeakPolarHBondContact O-CB 3.47Å; Y22-M26 PolarHBondContact O-N 2.94Å; Y22-V66 HydrophobicContact CD1-CG1 4.08Å; Y22-I69 HydrophobicContact CD1-CG2 4.23Å; Y22-I69 HydrophobicContact CD2-CG2 4.1Å; Y22-I69 HydrophobicContact CE1-CB 4.48Å; Y22-I69 HydrophobicContact CE1-CD1 4.16Å; Y22-I69 HydrophobicContact CE1-CG2 3.83Å; Y22-I69 HydrophobicContact CE2-CG2 3.7Å; Y22-I69 HydrophobicContact CG-CG2 4.34Å; Y22-M70 HydrophobicContact CG-CG 4.39Å; Y22-L73 HydrophobicContact CD2-CD1 3.51Å; Y22-L73 HydrophobicContact CE2-CD1 3.55Å
23D91Very high92.9Very high112 Ų11260.9 Ų60.960%0.59932%0.319SS*.Hα-helixtrans-60-48.1176.7-66.1-64000111.2N21 M26 V27 M70N21-D23 PolarHBondContact O-N 3.21Å; D23-M26 PolarHBondContact O-N 3.01Å; D23-V27 PolarHBondContact O-N 2.97Å; D23-M70 WeakPolarHBondContact OD1-CE 3.32Å
24S92.8Very high92.8Very high40 Ų4064.6 Ų64.628%0.2834%0.339SS..Hα-helixtrans-68-44.1178.5-54.80000110.9N21 M26 V27 Y28N21-S24 VanDerWaalsContact CG-OG 3.29Å; N21-S24 PolarHBondContact ND2-OG 3.44Å; N21-S24 VanDerWaalsContact ND2-OG 3.14Å; N21-S24 PolarHBondContact O-N 2.69Å; N21-S24 WeakPolarHBondContact OD1-CB 3.39Å; N21-S24 PolarHBondContact OD1-N 2.97Å; N21-S24 PolarHBondContact OD1-OG 3.32Å; S24-M26 VanDerWaalsContact C-N 3.26Å; S24-M26 PolarHBondContact O-N 3.1Å; S24-V27 PolarHBondContact O-N 3.3Å; S24-Y28 VanDerWaalsContact O-CD2 3.23Å; S24-Y28 WeakPolarHBondContact O-CD2 3.31Å; S24-Y28 PolarHBondContact O-N 2.91Å
25A94Very high92.4Very high0 Ų062 Ų620%033%0.332CS..Hα-helixtrans-54.7-43.4176.600000111.7A17 N21 Y22 V27 Y28 Y29 V66A17-A25 HydrophobicContact CB-CB 4.06Å; N21-A25 PolarHBondContact O-N 3.16Å; N21-A25 VanDerWaalsContact O-N 3.08Å; Y22-A25 PolarHBondContact O-N 3.28Å; A25-V27 PolarHBondContact O-N 3.44Å; A25-Y28 PolarHBondContact O-N 3.27Å; A25-Y29 HydrophobicContact CB-CD2 4.44Å; A25-Y29 HydrophobicContact CB-CE2 4.35Å; A25-Y29 WeakPolarHBondContact O-CD2 3.36Å; A25-Y29 PolarHBondContact O-N 3.24Å; A25-V66 HydrophobicContact CB-CG1 4.38Å
26M92.7Very high92.2Very high27 Ų2756.8 Ų56.813%0.13331%0.307CS..Hα-helixtrans-63.5-38.5-179-168.363.2-170.200112.7Y22 D23 S24 Y29 Q30 K67 M70Y22-M26 WeakPolarHBondContact O-CB 3.47Å; Y22-M26 PolarHBondContact O-N 2.94Å; D23-M26 PolarHBondContact O-N 3.01Å; S24-M26 VanDerWaalsContact C-N 3.26Å; S24-M26 PolarHBondContact O-N 3.1Å; M26-Y29 PolarHBondContact O-N 3.12Å; M26-Q30 HydrophobicContact CE-CG 4.04Å; M26-Q30 WeakPolarHBondContact O-CB 3.45Å; M26-Q30 WeakPolarHBondContact O-CG 3.27Å; M26-Q30 PolarHBondContact O-N 2.68Å; M26-K67 HydrophobicContact CE-CB 4.4Å; M26-K67 HydrophobicContact CE-CD 4.18Å; M26-K67 HydrophobicContact SD-CB 4.42Å; M26-M70 HydrophobicContact CB-SD 4.11Å; M26-M70 HydrophobicContact CG-SD 4.44Å
27V93.5Very high91.9Very high100 Ų10056.3 Ų56.361%0.60631%0.31SS*.Hα-helixtrans-63.5-44.7176.21760000110.8D23 S24 A25 Q30 G31D23-V27 PolarHBondContact O-N 2.97Å; S24-V27 PolarHBondContact O-N 3.3Å; A25-V27 PolarHBondContact O-N 3.44Å; V27-Q30 PolarHBondContact O-N 3.48Å; V27-G31 PolarHBondContact O-N 3.22Å
28Y93.8Very high91.6Very high75 Ų7560.6 Ų60.629%0.29432%0.324SS..Hα-helixtrans-65.2-43.9176.8-75.5-77.9000112.1L12 Y16 S24 A25 Q30 G31 V32L12-Y28 HydrophobicContact CB-CD1 4.31Å; L12-Y28 HydrophobicContact CB-CE1 4.35Å; L12-Y28 HydrophobicContact CD1-CE1 3.98Å; Y16-Y28 AromaticContact CD2-CD2 3.58Å; Y16-Y28 HydrophobicContact CD2-CD2 3.58Å; Y16-Y28 AromaticContact CD2-CE2 3.56Å; Y16-Y28 HydrophobicContact CD2-CE2 3.56Å; Y16-Y28 AromaticContact CE2-CD2 3.7Å; Y16-Y28 HydrophobicContact CE2-CD2 3.7Å; Y16-Y28 AromaticContact CE2-CE2 3.14Å; Y16-Y28 HydrophobicContact CE2-CE2 3.14Å; Y16-Y28 AromaticContact CE2-CZ 3.81Å; S24-Y28 VanDerWaalsContact O-CD2 3.23Å; S24-Y28 WeakPolarHBondContact O-CD2 3.31Å; S24-Y28 PolarHBondContact O-N 2.91Å; A25-Y28 PolarHBondContact O-N 3.27Å; Y28-Q30 PolarHBondContact O-N 2.96Å; Y28-G31 PolarHBondContact O-N 3.39Å; Y28-V32 VanDerWaalsContact O-CG2 3.32Å; Y28-V32 WeakPolarHBondContact O-CG2 2.99Å; Y28-V32 PolarHBondContact O-N 3.48Å
29Y94.9Very high91.3Very high7 Ų755.4 Ų55.43%0.02729%0.294CS..Hα-helixtrans-59-45.7175.2-81.2-63.5000112.1A13 R14 A25 M26 G31 V32 L33 I59 E62 A63 V66A13-Y29 HydrophobicContact CB-CD1 3.91Å; A13-Y29 HydrophobicContact CB-CD2 3.88Å; A13-Y29 HydrophobicContact CB-CE1 3.84Å; A13-Y29 HydrophobicContact CB-CE2 3.78Å; A13-Y29 HydrophobicContact CB-CG 3.92Å; R14-Y29 VanDerWaalsContact CG-OH 3.3Å; R14-Y29 WeakPolarHBondContact CG-OH 3.42Å; A25-Y29 HydrophobicContact CB-CD2 4.44Å; A25-Y29 HydrophobicContact CB-CE2 4.35Å; A25-Y29 WeakPolarHBondContact O-CD2 3.36Å; A25-Y29 PolarHBondContact O-N 3.24Å; M26-Y29 PolarHBondContact O-N 3.12Å; Y29-G31 PolarHBondContact O-N 3.27Å; Y29-V32 PolarHBondContact O-N 3.41Å; Y29-L33 VanDerWaalsContact O-CG 3.29Å; Y29-L33 WeakPolarHBondContact O-CG 3.21Å; Y29-L33 PolarHBondContact O-N 3.2Å; Y29-I59 HydrophobicContact CD1-CG2 3.92Å; Y29-I59 HydrophobicContact CE1-CG2 4.31Å; Y29-E62 HydrophobicContact CE1-CB 4.03Å; Y29-E62 PolarHBondContact OH-OE2 3.2Å; Y29-A63 HydrophobicContact CD1-CB 4.21Å; Y29-A63 HydrophobicContact CG-CB 3.98Å; Y29-V66 HydrophobicContact CD2-CG2 4.35Å; Y29-V66 HydrophobicContact CE2-CG2 3.84Å
30Q93.1Very high90.9Very high112 Ų11249.9 Ų49.952%0.52327%0.265SS..Hα-helixtrans-61.8-43.1176.3-76.1-177.3-6.100112M26 V27 Y28 L33 D34M26-Q30 HydrophobicContact CE-CG 4.04Å; M26-Q30 WeakPolarHBondContact O-CB 3.45Å; M26-Q30 WeakPolarHBondContact O-CG 3.27Å; M26-Q30 PolarHBondContact O-N 2.68Å; V27-Q30 PolarHBondContact O-N 3.48Å; Y28-Q30 PolarHBondContact O-N 2.96Å; Q30-L33 PolarHBondContact O-N 3.05Å; Q30-D34 PolarHBondContact O-N 2.88Å; Q30-D34 VanDerWaalsContact O-N 3.08Å
31G91.8Very high90.5Very high30 Ų3058.4 Ų58.431%0.30929%0.287SS..Hα-helixtrans-60.7-43.9176.500000112.9V27 Y28 Y29 D34 Q35V27-G31 PolarHBondContact O-N 3.22Å; Y28-G31 PolarHBondContact O-N 3.39Å; Y29-G31 PolarHBondContact O-N 3.27Å; G31-D34 PolarHBondContact O-N 3.01Å; G31-Q35 WeakPolarHBondContact O-CB 3.37Å; G31-Q35 VanDerWaalsContact O-CG 3.25Å; G31-Q35 WeakPolarHBondContact O-CG 3.31Å; G31-Q35 PolarHBondContact O-N 3.46Å
32V92.9Very high90Very high0 Ų058.8 Ų58.80%030%0.295CS..Hα-helixtrans-61.8-48.1175.8168.50000111.2I6 N9 V10 Y28 Y29 D34 Q35 M36 I59I6-V32 HydrophobicContact CG2-CG1 4.26Å; N9-V32 HydrophobicContact CB-CG2 3.42Å; N9-V32 VanDerWaalsContact CB-CG2 3.42Å; V10-V32 HydrophobicContact CG2-CB 4.3Å; V10-V32 HydrophobicContact CG2-CG1 3.48Å; V10-V32 VanDerWaalsContact CG2-CG1 3.48Å; V10-V32 HydrophobicContact CG2-CG2 3.84Å; Y28-V32 VanDerWaalsContact O-CG2 3.32Å; Y28-V32 WeakPolarHBondContact O-CG2 2.99Å; Y28-V32 PolarHBondContact O-N 3.48Å; Y29-V32 PolarHBondContact O-N 3.41Å; V32-D34 VanDerWaalsContact C-N 3.29Å; V32-D34 PolarHBondContact O-N 3.14Å; V32-Q35 PolarHBondContact O-N 3.46Å; V32-M36 HydrophobicContact CG1-CG 4.23Å; V32-M36 HydrophobicContact CG1-SD 3.77Å; V32-M36 WeakPolarHBondContact O-CB 3.22Å; V32-M36 WeakPolarHBondContact O-CG 3.42Å; V32-M36 PolarHBondContact O-N 3.17Å; V32-I59 HydrophobicContact CG1-CD1 4.17Å; V32-I59 HydrophobicContact CG1-CG2 4.18Å
33L92.3Very high89.3Confident19 Ų1957 Ų5710%0.09929%0.291CS..Hα-helixtrans-61.7-37.9-178.2-71.1170.7000111.8Y29 Q30 N37 W56 I59 N60 A63Y29-L33 VanDerWaalsContact O-CG 3.29Å; Y29-L33 WeakPolarHBondContact O-CG 3.21Å; Y29-L33 PolarHBondContact O-N 3.2Å; Q30-L33 PolarHBondContact O-N 3.05Å; L33-N37 WeakPolarHBondContact O-CB 3.47Å; L33-N37 PolarHBondContact O-N 3.35Å; L33-N37 PolarHBondContact O-ND2 3.46Å; L33-W56 HydrophobicContact CD2-CD2 4.17Å; L33-W56 HydrophobicContact CD2-CG 4.21Å; L33-W56 HydrophobicContact CD2-CZ2 4.23Å; L33-W56 PolarHBondContact O-NE1 3.36Å; L33-I59 HydrophobicContact CD2-CB 4.35Å; L33-I59 HydrophobicContact CD2-CG2 3.98Å; L33-I59 HydrophobicContact CG-CG2 4.35Å; L33-N60 HydrophobicContact CD1-CB 4.47Å; L33-N60 HydrophobicContact CD2-CB 3.96Å; L33-A63 HydrophobicContact CD1-CB 4.24Å
34D90.5Very high88.8Confident79 Ų7961.5 Ų61.542%0.42231%0.305SS..Hα-helixtrans-70.9-41.7175.8-171.147000112.2Q30 G31 V32 M36 N37 K38Q30-D34 PolarHBondContact O-N 2.88Å; Q30-D34 VanDerWaalsContact O-N 3.08Å; G31-D34 PolarHBondContact O-N 3.01Å; V32-D34 VanDerWaalsContact C-N 3.29Å; V32-D34 PolarHBondContact O-N 3.14Å; D34-M36 PolarHBondContact O-N 3.37Å; D34-N37 PolarHBondContact O-N 2.99Å; D34-K38 WeakPolarHBondContact O-CG 3.29Å; D34-K38 PolarHBondContact O-N 3.23Å; D34-K38 VanDerWaalsContact OD2-CE 3.31Å; D34-K38 WeakPolarHBondContact OD2-CE 3.49Å; D34-K38 IonicContact OD2-NZ 2.68Å; D34-K38 PolarHBondContact OD2-NZ 3.36Å
35Q88.2Confident88.4Confident54 Ų5463.6 Ų63.625%0.25231%0.313SS..Hα-helixtrans-61.5-43174.4-73.7173.813.100112I6 N9 G31 V32 K38 Y39I6-Q35 HydrophobicContact CD1-CB 4.4Å; I6-Q35 HydrophobicContact CG1-CB 4.19Å; N9-Q35 PolarHBondContact ND2-OE1 3.35Å; G31-Q35 WeakPolarHBondContact O-CB 3.37Å; G31-Q35 VanDerWaalsContact O-CG 3.25Å; G31-Q35 WeakPolarHBondContact O-CG 3.31Å; G31-Q35 PolarHBondContact O-N 3.46Å; V32-Q35 PolarHBondContact O-N 3.46Å; Q35-K38 PolarHBondContact O-N 3.31Å; Q35-Y39 PolarHBondContact O-N 3.15Å
36M88.9Confident87.9Confident1 Ų168 Ų681%0.00534%0.34CS..Hα-helixtrans-65.8-40.3176.8-73179.281.300112I6 V32 D34 K38 Y39 L40 W52 V55 W56 I59I6-M36 HydrophobicContact CD1-CG 4.42Å; I6-M36 HydrophobicContact CG2-CG 3.9Å; I6-M36 HydrophobicContact CG2-SD 4.44Å; V32-M36 HydrophobicContact CG1-CG 4.23Å; V32-M36 HydrophobicContact CG1-SD 3.77Å; V32-M36 WeakPolarHBondContact O-CB 3.22Å; V32-M36 WeakPolarHBondContact O-CG 3.42Å; V32-M36 PolarHBondContact O-N 3.17Å; D34-M36 PolarHBondContact O-N 3.37Å; M36-K38 PolarHBondContact O-N 3.21Å; M36-Y39 PolarHBondContact O-N 3.49Å; M36-L40 WeakPolarHBondContact O-CB 3.4Å; M36-L40 WeakPolarHBondContact O-CG 3.49Å; M36-L40 PolarHBondContact O-N 3.43Å; M36-W52 HydrophobicContact CE-CE3 3.63Å; M36-W52 HydrophobicContact CE-CZ3 3.86Å; M36-V55 HydrophobicContact CE-CB 4Å; M36-V55 HydrophobicContact CE-CG1 3.72Å; M36-W56 HydrophobicContact CE-CB 3.98Å; M36-I59 HydrophobicContact CE-CD1 4.1Å; M36-I59 HydrophobicContact SD-CD1 3.6Å
37N87.7Confident87.6Confident60 Ų6073.4 Ų73.432%0.32136%0.36SS..Hα-helixtrans-61.2-44.3174.3-83.4-29.7000111.6L33 D34 Y39 L40 Y41 W56L33-N37 WeakPolarHBondContact O-CB 3.47Å; L33-N37 PolarHBondContact O-N 3.35Å; L33-N37 PolarHBondContact O-ND2 3.46Å; D34-N37 PolarHBondContact O-N 2.99Å; N37-Y39 VanDerWaalsContact C-N 3.29Å; N37-Y39 PolarHBondContact O-N 3.03Å; N37-L40 WeakPolarHBondContact O-CB 3.42Å; N37-L40 PolarHBondContact O-N 3.07Å; N37-Y41 WeakPolarHBondContact O-CD2 3.38Å; N37-Y41 PolarHBondContact O-N 3.38Å; N37-W56 PolarHBondContact ND2-NE1 3.41Å; N37-W56 PolarHBondContact OD1-NE1 2.98Å
38K86.5Confident87.2Confident110 Ų11071.8 Ų71.848%0.47835%0.347SS..Hα-helixtrans-62.5-37.1174.7-69.9167.6174.6158.80112M1 D34 Q35 M36M1-K38 HydrophobicContact CE-CB 3.44Å; M1-K38 VanDerWaalsContact CE-CB 3.44Å; M1-K38 HydrophobicContact SD-CB 3.98Å; D34-K38 WeakPolarHBondContact O-CG 3.29Å; D34-K38 PolarHBondContact O-N 3.23Å; D34-K38 VanDerWaalsContact OD2-CE 3.31Å; D34-K38 WeakPolarHBondContact OD2-CE 3.49Å; D34-K38 IonicContact OD2-NZ 2.68Å; D34-K38 PolarHBondContact OD2-NZ 3.36Å; Q35-K38 PolarHBondContact O-N 3.31Å; M36-K38 PolarHBondContact O-N 3.21Å
39Y85.2Confident86.8Confident46 Ų4671.7 Ų71.718%0.1835%0.35CS..Hα-helixtrans-67.5-42.2175.3-171.5-102.2000112L3 Q35 M36 N37 Y41 S42 V43 W52L3-Y39 HydrophobicContact CD1-CE2 4.24Å; Q35-Y39 PolarHBondContact O-N 3.15Å; M36-Y39 PolarHBondContact O-N 3.49Å; N37-Y39 VanDerWaalsContact C-N 3.29Å; N37-Y39 PolarHBondContact O-N 3.03Å; Y39-Y41 VanDerWaalsContact C-N 3.26Å; Y39-Y41 PolarHBondContact O-N 3.36Å; Y39-S42 WeakPolarHBondContact O-CB 3.02Å; Y39-S42 PolarHBondContact O-N 2.97Å; Y39-S42 PolarHBondContact O-OG 3.15Å; Y39-V43 HydrophobicContact CD1-CG2 3.81Å; Y39-V43 HydrophobicContact CE1-CG2 3.43Å; Y39-V43 VanDerWaalsContact CE1-CG2 3.43Å; Y39-V43 HydrophobicContact CG-CG2 4.5Å; Y39-V43 WeakPolarHBondContact O-CG2 3.4Å; Y39-V43 PolarHBondContact O-N 2.86Å; Y39-W52 HydrophobicContact CD1-CD2 4.14Å; Y39-W52 HydrophobicContact CD1-CG 4.44Å; Y39-W52 HydrophobicContact CD1-CZ2 4.32Å; Y39-W52 HydrophobicContact CE1-CD2 4.16Å; Y39-W52 AromaticContact CE1-CE2 3.59Å; Y39-W52 HydrophobicContact CE1-CG 4.42Å; Y39-W52 AromaticContact CE1-CZ2 3.88Å; Y39-W52 HydrophobicContact CE1-CZ2 3.88Å; Y39-W52 AromaticContact CE1-NE1 3.54Å
40L84.4Confident86.6Confident11 Ų1177.6 Ų77.66%0.05838%0.378CS..Hα-helixtrans-57-35.6176.4-85157.6000112.8M36 N37 S42 Q49 W52M36-L40 WeakPolarHBondContact O-CB 3.4Å; M36-L40 WeakPolarHBondContact O-CG 3.49Å; M36-L40 PolarHBondContact O-N 3.43Å; N37-L40 WeakPolarHBondContact O-CB 3.42Å; N37-L40 PolarHBondContact O-N 3.07Å; L40-S42 VanDerWaalsContact C-N 3.29Å; L40-S42 PolarHBondContact O-N 3.34Å; L40-Q49 HydrophobicContact CD2-CG 3.67Å; L40-Q49 WeakPolarHBondContact CD2-O 3.49Å; L40-W52 HydrophobicContact CD2-CB 3.71Å; L40-W52 HydrophobicContact CG-CB 4.2Å
41Y81.5Confident86.4Confident217 Ų21777.2 Ų77.285%0.85137%0.374SS*.Hα-helixtrans-69.8-22.3174-81.1-73.4000114.1N37 Y39N37-Y41 WeakPolarHBondContact O-CD2 3.38Å; N37-Y41 PolarHBondContact O-N 3.38Å; Y39-Y41 VanDerWaalsContact C-N 3.26Å; Y39-Y41 PolarHBondContact O-N 3.36Å
42S82.1Confident86.3Confident76 Ų7677.9 Ų77.953%0.53137%0.367SS..Hα-helixtrans-88.9-19.8-178.574.80000113.9Y39 L40Y39-S42 WeakPolarHBondContact O-CB 3.02Å; Y39-S42 PolarHBondContact O-N 2.97Å; Y39-S42 PolarHBondContact O-OG 3.15Å; L40-S42 VanDerWaalsContact C-N 3.29Å; L40-S42 PolarHBondContact O-N 3.34Å
43V78.7Confident86.1Confident22 Ų2282.2 Ų82.213%0.13339%0.387CS..  trans-83.4117.7-174.7174.60000109.9Y39 D45 L48Y39-V43 HydrophobicContact CD1-CG2 3.81Å; Y39-V43 HydrophobicContact CE1-CG2 3.43Å; Y39-V43 VanDerWaalsContact CE1-CG2 3.43Å; Y39-V43 HydrophobicContact CG-CG2 4.5Å; Y39-V43 WeakPolarHBondContact O-CG2 3.4Å; Y39-V43 PolarHBondContact O-N 2.86Å; V43-D45 HydrophobicContact CG1-CB 4.39Å; V43-L48 HydrophobicContact CG1-CB 3.93Å; V43-L48 HydrophobicContact CG1-CD2 4.32Å
44K78.8Confident86.1Confident205 Ų20586.9 Ų86.989%0.89141%0.409SS*.  trans-83.1-21176.9-65-175.7179.2-178.80113.8
45D84.7Confident86.2Confident84 Ų8486 Ų8645%0.44941%0.406SS..  trans-82.2116.3-177-177.30.2000110.9V43 Y47 L48 Q49V43-D45 HydrophobicContact CG1-CB 4.39Å; D45-Y47 VanDerWaalsContact C-N 3.3Å; D45-Y47 PolarHBondContact O-N 2.7Å; D45-Y47 PolarHBondContact OD1-N 2.84Å; D45-Y47 VanDerWaalsContact OD1-N 3.15Å; D45-L48 HydrophobicContact CB-CB 4.09Å; D45-L48 PolarHBondContact O-N 3.5Å; D45-Q49 WeakPolarHBondContact O-CB 3.45Å; D45-Q49 PolarHBondContact O-N 3.31Å
46T84.8Confident86.4Confident94 Ų9486 Ų8658%0.57740%0.404SS*.Hα-helixtrans-63-34.5-176-35.90000112.5Q49 Q50T46-Q49 PolarHBondContact O-N 3.49Å; T46-Q50 PolarHBondContact O-N 3.32Å; T46-Q50 VanDerWaalsContact O-N 3.15Å
47Y84.9Confident86.6Confident140 Ų14091.3 Ų91.355%0.54943%0.429SS..Hα-helixtrans-72.4-42.3-179.9178.6-110.8000111.5D45 Q49 Q50 K51D45-Y47 VanDerWaalsContact C-N 3.3Å; D45-Y47 PolarHBondContact O-N 2.7Å; D45-Y47 PolarHBondContact OD1-N 2.84Å; D45-Y47 VanDerWaalsContact OD1-N 3.15Å; Y47-Q49 VanDerWaalsContact C-N 3.3Å; Y47-Q49 PolarHBondContact O-N 3.19Å; Y47-Q50 PolarHBondContact O-N 3.33Å; Y47-K51 HydrophobicContact CE1-CD 4.16Å; Y47-K51 VanDerWaalsContact CZ-CE 3.42Å; Y47-K51 PolarHBondContact O-N 2.93Å; Y47-K51 WeakPolarHBondContact OH-CE 3.46Å; Y47-K51 PolarHBondContact OH-NZ 3.25Å
48L85.2Confident86.9Confident65 Ų6593.5 Ų93.534%0.3444%0.437SS..Hα-helixtrans-63.8-40.4174.8-130.295.1000110.6V43 D45 Q50 K51 W52V43-L48 HydrophobicContact CG1-CB 3.93Å; V43-L48 HydrophobicContact CG1-CD2 4.32Å; D45-L48 HydrophobicContact CB-CB 4.09Å; D45-L48 PolarHBondContact O-N 3.5Å; L48-Q50 VanDerWaalsContact C-N 3.34Å; L48-Q50 PolarHBondContact O-N 3.04Å; L48-K51 PolarHBondContact O-N 3.47Å; L48-W52 PolarHBondContact O-N 3.42Å
49Q87Confident87.2Confident73 Ų7388.7 Ų88.734%0.34142%0.416SS..Hα-helixtrans-58.3-44.7177.5-163.5179.917.300111.7L40 D45 T46 Y47 K51 W52 Q53L40-Q49 HydrophobicContact CD2-CG 3.67Å; L40-Q49 WeakPolarHBondContact CD2-O 3.49Å; D45-Q49 WeakPolarHBondContact O-CB 3.45Å; D45-Q49 PolarHBondContact O-N 3.31Å; T46-Q49 PolarHBondContact O-N 3.49Å; Y47-Q49 VanDerWaalsContact C-N 3.3Å; Y47-Q49 PolarHBondContact O-N 3.19Å; Q49-K51 PolarHBondContact O-N 3.08Å; Q49-W52 PolarHBondContact O-N 3.36Å; Q49-Q53 WeakPolarHBondContact O-CB 3.4Å; Q49-Q53 PolarHBondContact O-N 2.98Å
50Q89.1Confident87.7Confident132 Ų13288.6 Ų88.662%0.61742%0.419SS*.Hα-helixtrans-61.8-43.3176-75.1-178.1-7.100112.9T46 Y47 L48 Q53 Q54T46-Q50 PolarHBondContact O-N 3.32Å; T46-Q50 VanDerWaalsContact O-N 3.15Å; Y47-Q50 PolarHBondContact O-N 3.33Å; L48-Q50 VanDerWaalsContact C-N 3.34Å; L48-Q50 PolarHBondContact O-N 3.04Å; Q50-Q53 WeakPolarHBondContact O-CB 3.44Å; Q50-Q53 PolarHBondContact O-N 3.3Å; Q50-Q54 PolarHBondContact O-N 3.36Å
51K89.8Confident88.2Confident104 Ų10491.5 Ų91.545%0.45244%0.437SS..Hα-helixtrans-61.6-45.2175.8-77.6-172.1171.2-178.10112.1Y47 L48 Q49 Q53 Q54 V55Y47-K51 HydrophobicContact CE1-CD 4.16Å; Y47-K51 VanDerWaalsContact CZ-CE 3.42Å; Y47-K51 PolarHBondContact O-N 2.93Å; Y47-K51 WeakPolarHBondContact OH-CE 3.46Å; Y47-K51 PolarHBondContact OH-NZ 3.25Å; L48-K51 PolarHBondContact O-N 3.47Å; Q49-K51 PolarHBondContact O-N 3.08Å; K51-Q53 VanDerWaalsContact C-N 3.29Å; K51-Q53 PolarHBondContact O-N 2.99Å; K51-Q54 WeakPolarHBondContact O-CB 3.39Å; K51-Q54 PolarHBondContact O-N 3.41Å; K51-V55 WeakPolarHBondContact O-CG2 3.26Å; K51-V55 PolarHBondContact O-N 2.91Å; K51-V55 VanDerWaalsContact O-N 3.08Å
52W88.8Confident88.7Confident44 Ų4483.7 Ų83.717%0.16741%0.408CS..Hα-helixtrans-64.7-35.1176.5-81.6105.5000112.3L3 M36 Y39 L40 L48 Q49 Q54 V55 W56L3-W52 HydrophobicContact CD1-CZ2 4.09Å; L3-W52 HydrophobicContact CD2-CH2 3.79Å; L3-W52 HydrophobicContact CD2-CZ2 3.76Å; L3-W52 HydrophobicContact CG-CH2 4.07Å; L3-W52 HydrophobicContact CG-CZ2 4.05Å; M36-W52 HydrophobicContact CE-CE3 3.63Å; M36-W52 HydrophobicContact CE-CZ3 3.86Å; Y39-W52 HydrophobicContact CD1-CD2 4.14Å; Y39-W52 HydrophobicContact CD1-CG 4.44Å; Y39-W52 HydrophobicContact CD1-CZ2 4.32Å; Y39-W52 HydrophobicContact CE1-CD2 4.16Å; Y39-W52 AromaticContact CE1-CE2 3.59Å; Y39-W52 HydrophobicContact CE1-CG 4.42Å; Y39-W52 AromaticContact CE1-CZ2 3.88Å; Y39-W52 HydrophobicContact CE1-CZ2 3.88Å; Y39-W52 AromaticContact CE1-NE1 3.54Å; L40-W52 HydrophobicContact CD2-CB 3.71Å; L40-W52 HydrophobicContact CG-CB 4.2Å; L48-W52 PolarHBondContact O-N 3.42Å; Q49-W52 PolarHBondContact O-N 3.36Å; W52-Q54 VanDerWaalsContact C-N 3.32Å; W52-Q54 PolarHBondContact O-N 2.93Å; W52-V55 PolarHBondContact O-N 3.48Å; W52-W56 VanDerWaalsContact O-CB 3.3Å; W52-W56 WeakPolarHBondContact O-CB 3.35Å; W52-W56 PolarHBondContact O-N 2.99Å
53Q90.1Very high89.3Confident90 Ų9080.2 Ų80.242%0.42138%0.384SS..Hα-helixtrans-61.9-40.4173.5-155.597.112.600111.4Q49 Q50 K51 W56 Q57Q49-Q53 WeakPolarHBondContact O-CB 3.4Å; Q49-Q53 PolarHBondContact O-N 2.98Å; Q50-Q53 WeakPolarHBondContact O-CB 3.44Å; Q50-Q53 PolarHBondContact O-N 3.3Å; K51-Q53 VanDerWaalsContact C-N 3.29Å; K51-Q53 PolarHBondContact O-N 2.99Å; Q53-W56 PolarHBondContact O-N 2.9Å; Q53-Q57 WeakPolarHBondContact O-CG 3.49Å; Q53-Q57 PolarHBondContact O-N 3.23Å
54Q92.1Very high90Very high117 Ų11785.1 Ų85.155%0.54740%0.404SS..Hα-helixtrans-66.4-47.3177.8-170.4173.95.600111.6Q50 K51 W52 W56 Q57 E58Q50-Q54 PolarHBondContact O-N 3.36Å; K51-Q54 WeakPolarHBondContact O-CB 3.39Å; K51-Q54 PolarHBondContact O-N 3.41Å; W52-Q54 VanDerWaalsContact C-N 3.32Å; W52-Q54 PolarHBondContact O-N 2.93Å; Q54-W56 VanDerWaalsContact C-N 3.27Å; Q54-W56 PolarHBondContact O-N 3.31Å; Q54-Q57 WeakPolarHBondContact O-CB 3.49Å; Q54-Q57 PolarHBondContact O-N 3.38Å; Q54-Q57 VanDerWaalsContact O-N 3.12Å; Q54-E58 PolarHBondContact O-N 3.46Å
55V91.3Very high90.7Very high60 Ų6080.7 Ų80.736%0.36439%0.386SS..Hα-helixtrans-61.7-37.9175.9-179.40000111.1M36 K51 W52 Q57 E58 I59M36-V55 HydrophobicContact CE-CB 4Å; M36-V55 HydrophobicContact CE-CG1 3.72Å; K51-V55 WeakPolarHBondContact O-CG2 3.26Å; K51-V55 PolarHBondContact O-N 2.91Å; K51-V55 VanDerWaalsContact O-N 3.08Å; W52-V55 PolarHBondContact O-N 3.48Å; V55-Q57 VanDerWaalsContact C-N 3.33Å; V55-Q57 PolarHBondContact O-N 2.85Å; V55-E58 PolarHBondContact O-N 2.92Å; V55-I59 HydrophobicContact CG1-CD1 3.94Å; V55-I59 WeakPolarHBondContact O-CG1 3.44Å; V55-I59 PolarHBondContact O-N 3.41Å
56W92.8Very high91.1Very high55 Ų5577 Ų7721%0.20837%0.367CS..Hα-helixtrans-62.3-41.1175.7-175.796000111.6L33 M36 N37 W52 Q53 Q54 N60L33-W56 HydrophobicContact CD2-CD2 4.17Å; L33-W56 HydrophobicContact CD2-CG 4.21Å; L33-W56 HydrophobicContact CD2-CZ2 4.23Å; L33-W56 PolarHBondContact O-NE1 3.36Å; M36-W56 HydrophobicContact CE-CB 3.98Å; N37-W56 PolarHBondContact ND2-NE1 3.41Å; N37-W56 PolarHBondContact OD1-NE1 2.98Å; W52-W56 VanDerWaalsContact O-CB 3.3Å; W52-W56 WeakPolarHBondContact O-CB 3.35Å; W52-W56 PolarHBondContact O-N 2.99Å; Q53-W56 PolarHBondContact O-N 2.9Å; Q54-W56 VanDerWaalsContact C-N 3.27Å; Q54-W56 PolarHBondContact O-N 3.31Å; W56-N60 HydrophobicContact CE3-CB 4.28Å; W56-N60 HydrophobicContact CH2-CB 4.29Å; W56-N60 HydrophobicContact CZ3-CB 4.09Å; W56-N60 VanDerWaalsContact O-CB 3.24Å; W56-N60 WeakPolarHBondContact O-CB 3.48Å; W56-N60 PolarHBondContact O-N 2.98Å
57Q93.2Very high91.5Very high113 Ų11377.6 Ų77.653%0.52836%0.361SS..Hα-helixtrans-63.8-42.6176.1-75.1177.6-9.100111.9Q53 Q54 V55 N60 V61Q53-Q57 WeakPolarHBondContact O-CG 3.49Å; Q53-Q57 PolarHBondContact O-N 3.23Å; Q54-Q57 WeakPolarHBondContact O-CB 3.49Å; Q54-Q57 PolarHBondContact O-N 3.38Å; Q54-Q57 VanDerWaalsContact O-N 3.12Å; V55-Q57 VanDerWaalsContact C-N 3.33Å; V55-Q57 PolarHBondContact O-N 2.85Å; Q57-N60 PolarHBondContact O-N 3.23Å; Q57-V61 WeakPolarHBondContact O-CG2 3.49Å; Q57-V61 PolarHBondContact O-N 2.76Å
58E94Very high91.9Very high106 Ų10674.9 Ų74.950%0.49536%0.356SS..Hα-helixtrans-60.4-48.7177.1-70.3175.3-172.700111.7Q54 V55 N60 V61 E62Q54-E58 PolarHBondContact O-N 3.46Å; V55-E58 PolarHBondContact O-N 2.92Å; E58-N60 VanDerWaalsContact C-N 3.31Å; E58-N60 PolarHBondContact O-N 2.87Å; E58-V61 WeakPolarHBondContact O-CB 3.48Å; E58-V61 PolarHBondContact O-N 3.36Å; E58-E62 PolarHBondContact O-N 3.21Å; E58-E62 VanDerWaalsContact O-N 3.15Å
59I93.3Very high92.3Very high8 Ų875 Ų754%0.04136%0.357CS..Hα-helixtrans-65.1-36.1178.1-66.3168.8000111.3V10 Y29 V32 L33 M36 V55 V61 E62 A63V10-I59 HydrophobicContact CG2-CD1 3.8Å; Y29-I59 HydrophobicContact CD1-CG2 3.92Å; Y29-I59 HydrophobicContact CE1-CG2 4.31Å; V32-I59 HydrophobicContact CG1-CD1 4.17Å; V32-I59 HydrophobicContact CG1-CG2 4.18Å; L33-I59 HydrophobicContact CD2-CB 4.35Å; L33-I59 HydrophobicContact CD2-CG2 3.98Å; L33-I59 HydrophobicContact CG-CG2 4.35Å; M36-I59 HydrophobicContact CE-CD1 4.1Å; M36-I59 HydrophobicContact SD-CD1 3.6Å; V55-I59 HydrophobicContact CG1-CD1 3.94Å; V55-I59 WeakPolarHBondContact O-CG1 3.44Å; V55-I59 PolarHBondContact O-N 3.41Å; I59-V61 VanDerWaalsContact C-N 3.31Å; I59-V61 PolarHBondContact O-N 2.95Å; I59-E62 PolarHBondContact O-N 3.31Å; I59-A63 PolarHBondContact O-N 3.39Å
60N94.7Very high92.5Very high44 Ų4473.1 Ų73.124%0.23535%0.348CS..Hα-helixtrans-68.3-30.7177.4-171.341000112.5L33 W56 Q57 E58 K64L33-N60 HydrophobicContact CD1-CB 4.47Å; L33-N60 HydrophobicContact CD2-CB 3.96Å; W56-N60 HydrophobicContact CE3-CB 4.28Å; W56-N60 HydrophobicContact CH2-CB 4.29Å; W56-N60 HydrophobicContact CZ3-CB 4.09Å; W56-N60 VanDerWaalsContact O-CB 3.24Å; W56-N60 WeakPolarHBondContact O-CB 3.48Å; W56-N60 PolarHBondContact O-N 2.98Å; Q57-N60 PolarHBondContact O-N 3.23Å; E58-N60 VanDerWaalsContact C-N 3.31Å; E58-N60 PolarHBondContact O-N 2.87Å; N60-K64 PolarHBondContact O-N 3.46Å; N60-K64 VanDerWaalsContact O-N 3.09Å
61V95.2Very high92.6Very high73 Ų7372.4 Ų72.444%0.44234%0.343SS..Hα-helixtrans-67.4-44.6171.6170.90000110.5Q57 E58 I59 A63 K64 H65Q57-V61 WeakPolarHBondContact O-CG2 3.49Å; Q57-V61 PolarHBondContact O-N 2.76Å; E58-V61 WeakPolarHBondContact O-CB 3.48Å; E58-V61 PolarHBondContact O-N 3.36Å; I59-V61 VanDerWaalsContact C-N 3.31Å; I59-V61 PolarHBondContact O-N 2.95Å; V61-A63 PolarHBondContact O-N 3.26Å; V61-K64 WeakPolarHBondContact O-CB 3.46Å; V61-K64 PolarHBondContact O-N 3Å; V61-H65 PolarHBondContact O-N 3.46Å; V61-H65 VanDerWaalsContact O-N 3.1Å
62E93Very high92.7Very high52 Ų5270.9 Ų70.924%0.24334%0.343CS..Hα-helixtrans-58.3-45.6174.4-69.4176.7-155.900111.9R14 Y29 E58 I59 K64 H65 V66R14-E62 IonicContact CZ-OE1 2.82Å; R14-E62 IonicContact CZ-OE2 3.99Å; R14-E62 IonicContact NE-OE1 3.9Å; R14-E62 IonicContact NE-OE2 2.73Å; R14-E62 PolarHBondContact NE-OE2 2.97Å; R14-E62 IonicContact NH2-OE1 3.34Å; R14-E62 PolarHBondContact NH2-OE1 3.5Å; R14-E62 IonicContact NH2-OE2 3.63Å; R14-E62 PolarHBondContact NH2-OE2 3.21Å; Y29-E62 HydrophobicContact CE1-CB 4.03Å; Y29-E62 PolarHBondContact OH-OE2 3.2Å; E58-E62 PolarHBondContact O-N 3.21Å; E58-E62 VanDerWaalsContact O-N 3.15Å; I59-E62 PolarHBondContact O-N 3.31Å; E62-K64 VanDerWaalsContact C-N 3.31Å; E62-K64 PolarHBondContact O-N 3.43Å; E62-H65 PolarHBondContact O-N 2.6Å; E62-V66 PolarHBondContact O-N 3.49Å; E62-V66 VanDerWaalsContact O-N 3.13Å
63A93.3Very high92.7Very high4 Ų472.7 Ų72.73%0.03336%0.355CS..Hα-helixtrans-62.2-35.9177.500000112.8Y29 L33 I59 V61 V66 K67Y29-A63 HydrophobicContact CD1-CB 4.21Å; Y29-A63 HydrophobicContact CG-CB 3.98Å; L33-A63 HydrophobicContact CD1-CB 4.24Å; I59-A63 PolarHBondContact O-N 3.39Å; V61-A63 PolarHBondContact O-N 3.26Å; A63-V66 PolarHBondContact O-N 3.23Å; A63-K67 WeakPolarHBondContact O-CB 3.41Å; A63-K67 PolarHBondContact O-N 3.08Å
64K94.3Very high92.6Very high125 Ų12573.6 Ų73.654%0.54336%0.359SS..Hα-helixtrans-64.8-43.2173.7-82.7-177.2178.3179.30112N60 V61 E62 V66 K67 D68N60-K64 PolarHBondContact O-N 3.46Å; N60-K64 VanDerWaalsContact O-N 3.09Å; V61-K64 WeakPolarHBondContact O-CB 3.46Å; V61-K64 PolarHBondContact O-N 3Å; E62-K64 VanDerWaalsContact C-N 3.31Å; E62-K64 PolarHBondContact O-N 3.43Å; K64-V66 VanDerWaalsContact C-N 3.33Å; K64-V66 PolarHBondContact O-N 3.45Å; K64-K67 WeakPolarHBondContact O-CB 3.3Å; K64-K67 PolarHBondContact O-N 3.31Å; K64-K67 VanDerWaalsContact O-N 3.14Å; K64-D68 PolarHBondContact O-N 3.07Å
65H93.3Very high92.4Very high111 Ų11170.6 Ų70.651%0.51435%0.351SS..Hα-helixtrans-59.7-43.8176.7-63.8157.8000111.9V61 E62 K67 D68 I69V61-H65 PolarHBondContact O-N 3.46Å; V61-H65 VanDerWaalsContact O-N 3.1Å; E62-H65 PolarHBondContact O-N 2.6Å; H65-K67 VanDerWaalsContact C-N 3.32Å; H65-K67 PolarHBondContact O-N 3.08Å; H65-D68 PolarHBondContact O-N 3.24Å; H65-I69 WeakPolarHBondContact O-CG1 3.32Å; H65-I69 PolarHBondContact O-N 3.25Å
66V93Very high92.1Very high8 Ų874.6 Ų74.65%0.04836%0.364CS..Hα-helixtrans-60.2-43.4175.2173.80000111.1A17 Y22 A25 Y29 E62 A63 K64 D68 I69 M70A17-V66 HydrophobicContact CB-CG2 4.09Å; Y22-V66 HydrophobicContact CD1-CG1 4.08Å; A25-V66 HydrophobicContact CB-CG1 4.38Å; Y29-V66 HydrophobicContact CD2-CG2 4.35Å; Y29-V66 HydrophobicContact CE2-CG2 3.84Å; E62-V66 PolarHBondContact O-N 3.49Å; E62-V66 VanDerWaalsContact O-N 3.13Å; A63-V66 PolarHBondContact O-N 3.23Å; K64-V66 VanDerWaalsContact C-N 3.33Å; K64-V66 PolarHBondContact O-N 3.45Å; V66-D68 VanDerWaalsContact C-N 3.34Å; V66-D68 PolarHBondContact O-N 3.49Å; V66-I69 PolarHBondContact O-N 3.02Å; V66-M70 WeakPolarHBondContact O-CG 2.98Å; V66-M70 PolarHBondContact O-N 3.46Å
67K93.7Very high91.4Very high105 Ų10579.6 Ų79.646%0.45739%0.387SS..Hα-helixtrans-63.8-36.4177.6-168.9173.9-174.7173.10113M26 A63 K64 H65 M70 K71M26-K67 HydrophobicContact CE-CB 4.4Å; M26-K67 HydrophobicContact CE-CD 4.18Å; M26-K67 HydrophobicContact SD-CB 4.42Å; A63-K67 WeakPolarHBondContact O-CB 3.41Å; A63-K67 PolarHBondContact O-N 3.08Å; K64-K67 WeakPolarHBondContact O-CB 3.3Å; K64-K67 PolarHBondContact O-N 3.31Å; K64-K67 VanDerWaalsContact O-N 3.14Å; H65-K67 VanDerWaalsContact C-N 3.32Å; H65-K67 PolarHBondContact O-N 3.08Å; K67-M70 PolarHBondContact O-N 3.36Å; K67-K71 WeakPolarHBondContact O-CG 3.41Å; K67-K71 PolarHBondContact O-N 3.2Å
68D93.7Very high90.2Very high84 Ų8480.5 Ų80.545%0.44940%0.395SS..Hα-helixtrans-71-36.4176.6-68.2-23.2000111.5K64 H65 V66 K71 T72K64-D68 PolarHBondContact O-N 3.07Å; H65-D68 PolarHBondContact O-N 3.24Å; V66-D68 VanDerWaalsContact C-N 3.34Å; V66-D68 PolarHBondContact O-N 3.49Å; D68-K71 PolarHBondContact O-N 3.12Å; D68-T72 PolarHBondContact O-N 3.01Å; D68-T72 PolarHBondContact O-OG1 2.91Å
69I92.1Very high88.3Confident67 Ų6782.1 Ų82.134%0.34441%0.407SS..Hα-helixtrans-62.3-45.3171.3-65.6164.9000110.5Y22 H65 V66 K71 T72 L73Y22-I69 HydrophobicContact CD1-CG2 4.23Å; Y22-I69 HydrophobicContact CD2-CG2 4.1Å; Y22-I69 HydrophobicContact CE1-CB 4.48Å; Y22-I69 HydrophobicContact CE1-CD1 4.16Å; Y22-I69 HydrophobicContact CE1-CG2 3.83Å; Y22-I69 HydrophobicContact CE2-CG2 3.7Å; Y22-I69 HydrophobicContact CG-CG2 4.34Å; H65-I69 WeakPolarHBondContact O-CG1 3.32Å; H65-I69 PolarHBondContact O-N 3.25Å; V66-I69 PolarHBondContact O-N 3.02Å; I69-K71 PolarHBondContact O-N 3.49Å; I69-T72 WeakPolarHBondContact O-CB 3.17Å; I69-T72 PolarHBondContact O-N 3.31Å; I69-T72 VanDerWaalsContact O-N 3.15Å; I69-L73 HydrophobicContact CG2-CD1 4.03Å; I69-L73 HydrophobicContact CG2-CG 4.42Å; I69-L73 WeakPolarHBondContact O-CG 3.38Å; I69-L73 PolarHBondContact O-N 2.95Å
70M91.4Very high86.3Confident33 Ų3386.1 Ų86.116%0.16344%0.436CS..Hα-helixtrans-58.1-47.1176.7-71.3-179.970.400112.2Y22 D23 M26 V66 K67 T72 L73 E74Y22-M70 HydrophobicContact CG-CG 4.39Å; D23-M70 WeakPolarHBondContact OD1-CE 3.32Å; M26-M70 HydrophobicContact CB-SD 4.11Å; M26-M70 HydrophobicContact CG-SD 4.44Å; V66-M70 WeakPolarHBondContact O-CG 2.98Å; V66-M70 PolarHBondContact O-N 3.46Å; K67-M70 PolarHBondContact O-N 3.36Å; M70-T72 VanDerWaalsContact C-N 3.27Å; M70-T72 PolarHBondContact O-N 3.47Å; M70-L73 PolarHBondContact O-N 3.09Å; M70-E74 WeakPolarHBondContact O-CG 3.36Å; M70-E74 PolarHBondContact O-N 3.06Å
71K91.9Very high83.6Confident117 Ų11789.2 Ų89.251%0.50946%0.457SS..Hα-helixtrans-60.3-38.5176-75.9178.8178.9176.60112.5K67 D68 I69 E74 S75K67-K71 WeakPolarHBondContact O-CG 3.41Å; K67-K71 PolarHBondContact O-N 3.2Å; D68-K71 PolarHBondContact O-N 3.12Å; I69-K71 PolarHBondContact O-N 3.49Å; K71-E74 PolarHBondContact O-N 3.43Å; K71-S75 PolarHBondContact O-N 3.03Å
72T91.1Very high81Confident73 Ų7391.6 Ų91.645%0.44847%0.473SS..Hα-helixtrans-66.6-43.2178.2-48.30000110.2D68 I69 M70 E74 S75 F76D68-T72 PolarHBondContact O-N 3.01Å; D68-T72 PolarHBondContact O-OG1 2.91Å; I69-T72 WeakPolarHBondContact O-CB 3.17Å; I69-T72 PolarHBondContact O-N 3.31Å; I69-T72 VanDerWaalsContact O-N 3.15Å; M70-T72 VanDerWaalsContact C-N 3.27Å; M70-T72 PolarHBondContact O-N 3.47Å; T72-E74 VanDerWaalsContact C-N 3.33Å; T72-E74 PolarHBondContact O-N 2.95Å; T72-S75 PolarHBondContact O-N 3.37Å; T72-S75 PolarHBondContact O-OG 3.45Å; T72-F76 HydrophobicContact CG2-CD2 4.41Å; T72-F76 HydrophobicContact CG2-CE2 3.77Å; T72-F76 WeakPolarHBondContact O-CD2 3.33Å; T72-F76 PolarHBondContact O-N 3.42Å
73L88.5Confident78.4Confident81 Ų8197.4 Ų97.442%0.42451%0.505SS..Hα-helixtrans-62.7-36.3173.9-71170.3000113Y22 I69 M70 F76 K77Y22-L73 HydrophobicContact CD2-CD1 3.51Å; Y22-L73 HydrophobicContact CE2-CD1 3.55Å; I69-L73 HydrophobicContact CG2-CD1 4.03Å; I69-L73 HydrophobicContact CG2-CG 4.42Å; I69-L73 WeakPolarHBondContact O-CG 3.38Å; I69-L73 PolarHBondContact O-N 2.95Å; M70-L73 PolarHBondContact O-N 3.09Å; L73-F76 PolarHBondContact O-N 2.94Å; L73-K77 PolarHBondContact O-N 3.4Å
74E88.6Confident75.7Confident110 Ų110106.9 Ų106.951%0.51455%0.546SS..Hα-helixtrans-66.5-38.6174-75.1173.9177.900112.1M70 K71 T72 F76 K77 L78M70-E74 WeakPolarHBondContact O-CG 3.36Å; M70-E74 PolarHBondContact O-N 3.06Å; K71-E74 PolarHBondContact O-N 3.43Å; T72-E74 VanDerWaalsContact C-N 3.33Å; T72-E74 PolarHBondContact O-N 2.95Å; E74-F76 VanDerWaalsContact C-N 3.3Å; E74-F76 PolarHBondContact O-N 3.48Å; E74-K77 WeakPolarHBondContact O-CB 3.28Å; E74-K77 PolarHBondContact O-N 3.48Å; E74-K77 VanDerWaalsContact O-N 3.08Å; E74-L78 PolarHBondContact O-N 2.85Å
75S88.3Confident72.7Confident54 Ų54105.7 Ų105.738%0.37856%0.559SS.*Hα-helixtrans-61.3-38175.971.30000112.5K71 T72 K77 L78 D79K71-S75 PolarHBondContact O-N 3.03Å; T72-S75 PolarHBondContact O-N 3.37Å; T72-S75 PolarHBondContact O-OG 3.45Å; S75-K77 VanDerWaalsContact C-N 3.29Å; S75-K77 PolarHBondContact O-N 2.99Å; S75-L78 PolarHBondContact O-N 3.23Å; S75-D79 PolarHBondContact O-N 3.18Å
76F85.3Confident70.1Confident143 Ų143105.1 Ų105.163%0.62757%0.573SS**Hα-helixtrans-67.3-26.8174.9-70.4-62.6000113.6T72 L73 E74T72-F76 HydrophobicContact CG2-CD2 4.41Å; T72-F76 HydrophobicContact CG2-CE2 3.77Å; T72-F76 WeakPolarHBondContact O-CD2 3.33Å; T72-F76 PolarHBondContact O-N 3.42Å; L73-F76 PolarHBondContact O-N 2.94Å; E74-F76 VanDerWaalsContact C-N 3.3Å; E74-F76 PolarHBondContact O-N 3.48Å
77K77.3Confident67.2Low160 Ų160113.7 Ų113.770%0.69661%0.613SS**Hα-helixtrans-73-36174.3-71-179.5-179.9175.40111.5L73 E74 S75 S80L73-K77 PolarHBondContact O-N 3.4Å; E74-K77 WeakPolarHBondContact O-CB 3.28Å; E74-K77 PolarHBondContact O-N 3.48Å; E74-K77 VanDerWaalsContact O-N 3.08Å; S75-K77 VanDerWaalsContact C-N 3.29Å; S75-K77 PolarHBondContact O-N 2.99Å; K77-S80 PolarHBondContact O-OG 3.37Å
78L67.6Low64.6Low133 Ų133117.1 Ų117.170%0.69663%0.63SS**Hα-helixtrans-71.7-37.5-179.1-72.8164.9000112.8E74 S75 S80 T81E74-L78 PolarHBondContact O-N 2.85Å; S75-L78 PolarHBondContact O-N 3.23Å; L78-S80 PolarHBondContact O-N 3.47Å; L78-S80 VanDerWaalsContact O-N 3.17Å; L78-T81 PolarHBondContact O-OG1 3.38Å
79D54.9Low61.9Low140 Ų140119.5 Ų119.575%0.74964%0.643SS**THydrogen-bonded Turntrans-72.9-5.3-179.9-85.1-13.8000114.2S75 T81S75-D79 PolarHBondContact O-N 3.18Å; D79-T81 VanDerWaalsContact C-N 3.27Å; D79-T81 PolarHBondContact O-N 3.13Å
80S50.3Low59.3Low91 Ų91124.3 Ų124.364%0.63667%0.668SS**THydrogen-bonded Turntrans-82.57.8179.665.10000115.1K77 L78 P82K77-S80 PolarHBondContact O-OG 3.37Å; L78-S80 PolarHBondContact O-N 3.47Å; L78-S80 VanDerWaalsContact O-N 3.17Å; S80-P82 WeakPolarHBondContact O-CD 3.4Å
81T39.3Very low56.5Low110 Ų110128.1 Ų128.168%0.67570%0.696SS**SBendtrans-69.7123.6164.926.70000111.1L78 D79 L83L78-T81 PolarHBondContact O-OG1 3.38Å; D79-T81 VanDerWaalsContact C-N 3.27Å; D79-T81 PolarHBondContact O-N 3.13Å; T81-L83 PolarHBondContact O-N 2.9Å; T81-L83 VanDerWaalsContact O-N 3.15Å
82P39.8Very low53.7Low122 Ų122127.4 Ų127.479%0.79271%0.711SS**  trans-61.2121.2174.3-16.528.5000109.8S80 K84S80-P82 WeakPolarHBondContact O-CD 3.4Å; P82-K84 PolarHBondContact O-N 2.94Å
83L39.1Very low51.2Low174 Ų174129.1 Ų129.191%0.91173%0.727SS**  trans-50.3109.9168.3-76.2157.4000109.2T81 A85T81-L83 PolarHBondContact O-N 2.9Å; T81-L83 VanDerWaalsContact O-N 3.15Å; L83-A85 PolarHBondContact O-N 3.25Å; L83-A85 VanDerWaalsContact O-N 3.16Å
84K36.2Very low48.6Very low204 Ų204134.5 Ų134.589%0.88775%0.749SS**  trans-60.9114.5159.8-98.1-178.7174.6177.50107.2P82 A86P82-K84 PolarHBondContact O-N 2.94Å; K84-A86 PolarHBondContact O-N 3.45Å; K84-A86 VanDerWaalsContact O-N 3.07Å
85A31.8Very low46.2Very low100 Ų100132.9 Ų132.983%0.82676%0.762SS**  trans-53109.5170.400000110.4L83L83-A85 PolarHBondContact O-N 3.25Å; L83-A85 VanDerWaalsContact O-N 3.16Å
86A38.1Very low43.8Very low98 Ų98138.7 Ų138.781%0.8178%0.784SS**  trans-97.4113.9158.700000107K84 H88K84-A86 PolarHBondContact O-N 3.45Å; K84-A86 VanDerWaalsContact O-N 3.07Å; A86-H88 PolarHBondContact O-N 3.37Å
87Q31.9Very low41.7Very low188 Ų188138 Ų13888%0.87979%0.791SS**  trans-62.3122.9174.7-67.2166-39.800109.7
88H39.5Very low40.1Very low177 Ų177141.5 Ų141.582%0.81980%0.8SS**  trans-153.8137.9145.9-118.1-64.2000110.3A86A86-H88 PolarHBondContact O-N 3.37Å
89D36.5Very low39.2Very low134 Ų134139.8 Ų139.872%0.71780%0.799SS**  trans-48.1143.8-169.6-53.8-79000116.3
90L37.4Very low38.7Very low168 Ų168141.7 Ų141.788%0.8881%0.806SS**  175.1150.5123.4-86.8157.8000110.5
91P33.6Very low38.4Very low113 Ų113143.2 Ų143.273%0.73481%0.813SS**  trans-98.8147.4-14836.7-34.6000116.5
92A32.7Very low39Very low102 Ų102144.2 Ų144.284%0.84382%0.819SS**  trans42.2107142.500000120.5
93S38.1Very low39.5Very low110 Ų110144.3 Ų144.377%0.76982%0.819SS**  -164.8119.1128.4-155.30000111.7
94E34.3Very low39.9Very low193 Ų193142.5 Ų142.590%0.90282%0.815SS**  trans36.2121.9148.4-57.8-172.216200121.7
95G38.4Very low40Very low76 Ų76141.5 Ų141.578%0.78481%0.814SS**  trans15696.1154.600000116.5
96E38.2Very low40.5Very low177 Ų177148.6 Ų148.683%0.82782%0.819SS**  trans64.893.7154.9-66.9-173.2155.100120.6W98E96-W98 PolarHBondContact O-N 3.37Å
97V39.8Very low40.6Very low129 Ų129155 Ų15578%0.78282%0.823SS**  trans-75.6110.81631740000110S99V97-S99 WeakPolarHBondContact CG1-OG 3.32Å
98W45.3Very low40.9Very low232 Ų232152.1 Ų152.188%0.87982%0.82SS**  trans-88.895.7163.3-79.884.4000110E96E96-W98 PolarHBondContact O-N 3.37Å
99S47.9Very low41.1Very low97 Ų97149.1 Ų149.168%0.67882%0.819SS**PPolyproline II helixtrans-84.2117.2170.4-51.20000110.2V97V97-S99 WeakPolarHBondContact CG1-OG 3.32Å
100M43.8Very low41.4Very low181 Ų181148.9 Ų148.989%0.89283%0.825SS**PPolyproline II helixtrans-60.2141.7169.1-91.8166.159.300111.1
101P44.6Very low41.4Very low123 Ų123144.2 Ų144.280%0.79982%0.818SS**PPolyproline II helixtrans-78.9131.9-172.15.210.5000112
102V53.1Low41.9Very low130 Ų130145.3 Ų145.379%0.78882%0.824SS**PPolyproline II helixtrans-67.7136168-126.60000109.8V104V102-V104 PolarHBondContact O-N 2.88Å
103P49.4Very low42.1Very low124 Ų124152.7 Ų152.781%0.80583%0.83SS**PPolyproline II helixtrans-64.3118.6175.9-19.931.9000111.4E105P103-E105 PolarHBondContact O-N 3.06Å
104V46.6Very low41.8Very low136 Ų136157.1 Ų157.182%0.82484%0.836SS**PPolyproline II helixtrans-66.6124.6175171.60000110.4V102 R106V102-V104 PolarHBondContact O-N 2.88Å; V104-R106 PolarHBondContact O-N 3.46Å
105E39.7Very low41.8Very low184 Ų184158.4 Ų158.486%0.8683%0.833SS**PPolyproline II helixtrans-54.9122.3169.5-72.4180145.600111.5P103 R107P103-E105 PolarHBondContact O-N 3.06Å; E105-R107 PolarHBondContact O-N 3.36Å
106R40.9Very low41.6Very low248 Ų248162.2 Ų162.294%0.93683%0.83SS**  trans-76.7110.8171.1-74.4-169.9177.3-135.32.1110V104V104-R106 PolarHBondContact O-N 3.46Å
107R40.6Very low41.3Very low233 Ų233158.8 Ų158.888%0.87983%0.825SS**PPolyproline II helixtrans-57.6146.1165.1-76.5-176.1-177.8-178.71.3111.5E105E105-R107 PolarHBondContact O-N 3.36Å
108P38.7Very low40.9Very low127 Ų127157.5 Ų157.583%0.82582%0.822SS**PPolyproline II helixtrans-77.7131.6175.430.4-30.4000111.2
109S44.6Very low40.4Very low114 Ų114154 Ų15480%0.79782%0.816SS**PPolyproline II helixtrans-71.6143.8173.4-59.70000111.6
110P42.2Very low39.9Very low130 Ų130159.2 Ų159.284%0.84482%0.822SS**PPolyproline II helixtrans-81.6133.1179.115.9-2.8000111.8
111G38Very low39.5Very low70 Ų70154.5 Ų154.572%0.72281%0.807SS**PPolyproline II helixtrans-76.5163.617900000114.7
112P43.3Very low39.1Very low135 Ų135155.7 Ų155.788%0.87781%0.806SS**PPolyproline II helixtrans-86.5137.517432.7-28.5000111.9
113R37.3Very low38.4Very low257 Ų257153.6 Ų153.697%0.9780%0.798SS**PPolyproline II helixtrans-65.8139.7-177.7-73.6172.8166.6179.4-4.6113.3
114K31.6Very low37.8Very low204 Ų204157.1 Ų157.189%0.88780%0.8SS**PPolyproline II helixtrans-87.1144.2157.8-92.6-178.9174.6176.50110.8
115R33.1Very low37.4Very low220 Ų220155.1 Ų155.183%0.8379%0.792SS**  trans154.7143.3147.8-91.1-179.1174.8-175.1-1.4107.8
116Q35.6Very low37.5Very low155 Ų155155.9 Ų155.972%0.72480%0.795SS**  cis-166.2161.11.1-124.1162.5-0.500107.6
117S30.5Very low37.4Very low105 Ų105147.3 Ų147.373%0.73479%0.785SS**  trans-58.9147.517649.30000116.3
118S32.4Very low37.3Very low103 Ų103144.3 Ų144.372%0.7279%0.786SS**  158.3126.5108.962.10000115
119Q34.6Very low37Very low159 Ų159149.4 Ų149.474%0.74379%0.789SS**  trans73.3144.8134.8-66.7-178.2-8.600124.6
120Y37.8Very low36.9Very low206 Ų206149.6 Ų149.681%0.80879%0.787SS**  trans81.6139.1164.4-68.7-85.2000118.1
121S34.2Very low36.4Very low81 Ų81146.7 Ų146.757%0.56678%0.781SS**  cis-177.6160.8-28.547.90000106.2
122D37.9Very low36.4Very low149 Ų149150 Ų15080%0.79779%0.788SS**  trans75.3140.6157.9-67.4-28000119.8
123S36.5Very low35.9Very low86 Ų86150 Ų15060%0.60179%0.785SS**  cis-174.3157.2-11.447.20000110.2
124K38.4Very low36.2Very low197 Ų197144.2 Ų144.286%0.85778%0.778SS**  trans69.2144.6150.5-73.2166-178.6175.50118.6
125S38.5Very low36.1Very low94 Ų94146 Ų14666%0.65778%0.779SS**  cis-177.7135.45.444.20000106.8
126H41.4Very low36.5Very low200 Ų200141.3 Ų141.393%0.92678%0.775SS**  124.7138.392.9-109.3-35.3000110.8
127G37.4Very low36.6Very low69 Ų69142.3 Ų142.371%0.71178%0.779SS**  trans130.475.1140.800000120.8
128N39.4Very low36.5Very low170 Ų170148.7 Ų148.791%0.90979%0.787SS**  trans45.6121.1138.2-78.2-4000125.7
129R32.8Very low36.6Very low234 Ų234148.6 Ų148.688%0.88379%0.787SS**  trans-35.7-177.6140-97.2-179.6174.5177.2-1.4117.6
130P41.3Very low36.4Very low117 Ų117146.6 Ų146.676%0.7679%0.79SS**  cis-140.9170.5-20.331.8-10.6000116.5
131G32.3Very low36.4Very low70 Ų70141 Ų14172%0.72279%0.786SS**  trans90.9122.4136.500000120.1
132T38Very low36.5Very low140 Ų140145.9 Ų145.986%0.85980%0.8SS**  trans-159123.6140.1-26.80000112
133T33.8Very low36.1Very low134 Ų134145.9 Ų145.982%0.82280%0.8SS**  trans-85.8141.9164.944.40000110.4
134V41.9Very low36.1Very low136 Ų136149.8 Ų149.882%0.82481%0.813SS**  trans-137.2130.2158.5-179.80000110.2V136V134-V136 HydrophobicContact CG1-CG2 4.46Å
135R30.7Very low35.9Very low240 Ų240148 Ų14891%0.90681%0.808SS**  trans-130.8126.1-177.7-179.6-168.3-165.5-174.36.1106.7
136V41.3Very low35.8Very low122 Ų122150.6 Ų150.674%0.73982%0.815SS**  trans-160.7137.3170.6172.40000106.6V134V134-V136 HydrophobicContact CG1-CG2 4.46Å
137H36.7Very low35.6Very low177 Ų177147.2 Ų147.282%0.81980%0.803SS**  cis-161.8159.6-14.8-117.5-97000106.1
138R28.5Very low35.6Very low238 Ų238155 Ų15590%0.89881%0.811SS**  trans-120.2133-174.6-167-169.7-158.5-1765.7108.7
139S34.9Very low35.4Very low102 Ų102150.4 Ų150.471%0.71380%0.803SS**  trans167108.4163.1460000109.2
140S30.9Very low35.6Very low117 Ų117149.8 Ų149.882%0.81881%0.807SS**  94.7144.278.164.90000114
141A36.8Very low35.2Very low88 Ų88148.5 Ų148.573%0.72781%0.806SS**  trans10610217000000114.1
142Q36.3Very low35.4Very low184 Ų184152.6 Ų152.686%0.8682%0.817SS**  76.9113.280.9-79179.9-21.900113.8
143N29.6Very low35Very low149 Ų149156.7 Ų156.780%0.79782%0.817SS**  trans26.7125.5146.4-68.5-15.2000119.2
144L38.1Very low34.8Very low167 Ų167156.6 Ų156.687%0.87482%0.82SS**  178.2111.8122.9-93.9146.3000112.3
145H32.7Very low34.4Very low160 Ų160161.2 Ų161.274%0.74182%0.823SS**  30.6118.3129.6-128-22.8000121.5
146N37.5Very low34.4Very low149 Ų149159.3 Ų159.380%0.79782%0.824SS**  176.8106.1128.6-108.1-9.6000107.7
147D37Very low34Very low128 Ų128162.9 Ų162.968%0.68483%0.829SS**  75.1137.971.5-157.622.4000114.9
148R37Very low33.9Very low234 Ų234164.5 Ų164.588%0.88383%0.834SS**  trans86.6113.3-178.2-57.5178.9170.8-179.5-3.1115.7
149G35.6Very low34.1Very low72 Ų72162.4 Ų162.474%0.74284%0.835SS**  cis127.111411.700000110
150K36.3Very low34.1Very low222 Ų222167 Ų16797%0.96584%0.844SS**  trans-173.1119.8140.4-107.8170.4-178178.70110.3
151A32.5Very low34Very low90 Ų90168.8 Ų168.874%0.74485%0.845SS**  trans-104.9151.1-174.300000111.2
152V37.9Very low34Very low155 Ų155174.6 Ų174.694%0.93985%0.854SS**  trans-138.6124.3150.5-1790000107.8
153R28Very low33.8Very low227 Ų227169 Ų16986%0.85785%0.846SS**  trans-121.3141.9-170.8-116.5-178.3175.7179.4-0.8108.5
154C31.2Very low33.8Very low131 Ų131173.1 Ų173.189%0.88585%0.85SS**  trans-159.3102.9147.2-94.20000108.1
155R32.9Very low33.6Very low234 Ų234173.7 Ų173.788%0.88385%0.848SS**  77.893.876.9-107.1-176.2176.1167.9-0.9114.4
156E30.2Very low33.5Very low200 Ų200175 Ų17594%0.93586%0.855SS**  trans-79.5136.6156.2-70177.2145.800110.2
157K34.4Very low33.4Very low197 Ų197178 Ų17886%0.85786%0.861SS**  trans-104.7132.9176.3-86.6179.9173.8177.30109.9
158K33.1Very low33.1Very low211 Ų211179.7 Ų179.792%0.91787%0.87SS**  trans-66.9131158.2-83.8176.6169.7177.20109.7
159E32.4Very low33Very low194 Ų194178 Ų17891%0.90787%0.869SS**  trans-86.6130.7165.8-76.1-175.6146.700110.9
160Q36.2Very low33Very low197 Ų197179.6 Ų179.692%0.92187%0.868SS**  trans-109.1132.8163.6-97.6-179.2-1000108.5
161N28.7Very low32.9Very low156 Ų156175.5 Ų175.583%0.83487%0.865SS**  trans-66.8135.4-177-160.70.3000112.8
162K36Very low33Very low210 Ų210175.9 Ų175.991%0.91387%0.868SS**  trans-175.7106.3149.2-107.5173.5-176.6-178.10113.1
163G31.7Very low32.8Very low67 Ų67172.7 Ų172.769%0.69186%0.858SS**  90.6113.5122.500000120.6
164R31.3Very low33Very low234 Ų234168.9 Ų168.988%0.88386%0.86SS**  trans66.3133144.4-73179.1176.4177.2-3.1116.3
165E33.8Very low33Very low179 Ų179168.5 Ų168.584%0.83685%0.853SS**  cis-166.5151.139.7-121.5153.5-144.700109.5
166E29.8Very low32.9Very low187 Ų187165.3 Ų165.387%0.87485%0.848SS**  trans-71.7142.6179.6-65170.9141.500113.2
167K35.5Very low33.1Very low213 Ų213161.5 Ų161.593%0.92684%0.841SS**  trans-165.6119.3139.8-110.3168.7-173.6176.50112.7
168N30.1Very low33.1Very low163 Ų163160.7 Ų160.787%0.87284%0.84SS**  trans-50.2140.1175-74.7-33.9000115.4
169K35.5Very low33.9Very low199 Ų199155.7 Ų155.787%0.86583%0.827SS**  trans-166.9109.8137.9-114.8174-178.7-179.60113.7
170S35.9Very low35.2Very low105 Ų105152.6 Ų152.673%0.73482%0.817SS**  trans56136.5143.847.60000121.9
171P33Very low36.5Very low137 Ų137151 Ų15189%0.8981%0.807SS**  trans-84.1133.5-173.635.2-31.9000111.8
172A35.3Very low38.4Very low97 Ų97144.7 Ų144.780%0.80277%0.772SS**  trans-115.7127.117600000110.8
173A34Very low39.9Very low89 Ų89139.6 Ų139.674%0.73676%0.755SS**  trans50.3111.4152.300000118.9T175A173-T175 PolarHBondContact O-N 3.16Å
174V32.2Very low41.5Very low147 Ų147138.4 Ų138.489%0.89174%0.736SS**  trans-63.9109.3159.1178.30000108.1
175T31.7Very low43Very low122 Ų122132.5 Ų132.575%0.74873%0.726SS**PPolyproline II helixtrans-82.2118.7167.9-38.40000107.8A173A173-T175 PolarHBondContact O-N 3.16Å
176E29.4Very low44.7Very low168 Ų168127.8 Ų127.879%0.78573%0.726SS**PPolyproline II helixtrans-57.8142.6169.4-67.9-170.6160.600109.8E178E176-E178 PolarHBondContact O-N 3.16Å
177P34.4Very low46.7Very low119 Ų119121.1 Ų121.177%0.77369%0.693SS**PPolyproline II helixtrans-66.1123.4-175.227.9-32000109.4T179P177-T179 PolarHBondContact O-N 2.89Å
178E34.6Very low48.7Very low180 Ų180115.1 Ų115.184%0.84167%0.671SS**  trans-53.9113.8172-66.2-169.9161.100109.1E176 N180E176-E178 PolarHBondContact O-N 3.16Å; E178-N180 PolarHBondContact O-N 3.35Å; E178-N180 VanDerWaalsContact O-N 3.14Å
179T50.8Low51.1Low106 Ų106113.4 Ų113.465%0.6566%0.656SS**  trans-63.9114.7173.453.20000108P177 K181P177-T179 PolarHBondContact O-N 2.89Å; T179-K181 PolarHBondContact O-N 3.12Å
180N58.8Low53.2Low130 Ų130109.9 Ų109.970%0.69565%0.646SS**  trans-53.2101.7174.1-73.4-19.3000109.6E178 F299E178-N180 PolarHBondContact O-N 3.35Å; E178-N180 VanDerWaalsContact O-N 3.14Å; N180-F299 HydrophobicContact CB-CE1 4.26Å; N180-F299 HydrophobicContact CB-CZ 4.22Å
181K63.4Low55.2Low164 Ų164105.4 Ų105.471%0.71361%0.614SS**  trans-82.1138.9174.8-69.1-172.3177.7-174.20109.4T179 D183 F299T179-K181 PolarHBondContact O-N 3.12Å; K181-D183 PolarHBondContact O-N 2.91Å; K181-F299 WeakPolarHBondContact O-CZ 3.34Å
182F68.4Low57.5Low22 Ų2299.1 Ų99.110%0.09657%0.573CS.*  trans-58.9130175.3-177.7-101.7000110.5S184 V192 L292 E295 M296 F299 Y300F182-S184 PolarHBondContact O-N 3.45Å; F182-V192 HydrophobicContact CD1-CG1 3.91Å; F182-L292 HydrophobicContact CD1-CD1 4.39Å; F182-L292 HydrophobicContact CE1-CD1 3.52Å; F182-L292 HydrophobicContact CZ-CD1 3.94Å; F182-E295 HydrophobicContact CE2-CB 4.28Å; F182-E295 HydrophobicContact CZ-CB 4.02Å; F182-M296 HydrophobicContact CD1-CG 4.07Å; F182-M296 HydrophobicContact CD2-CB 4.47Å; F182-M296 HydrophobicContact CD2-CG 3.95Å; F182-M296 HydrophobicContact CE1-CG 4.08Å; F182-M296 HydrophobicContact CE2-CB 4.48Å; F182-M296 HydrophobicContact CE2-CG 3.97Å; F182-M296 HydrophobicContact CG-CG 4.01Å; F182-M296 HydrophobicContact CZ-CG 4.03Å; F182-F299 HydrophobicContact CB-CD1 4.17Å; F182-F299 HydrophobicContact CB-CE1 4.25Å; F182-F299 HydrophobicContact CD2-CB 3.59Å; F182-F299 AromaticContact CD2-CD1 3.88Å; F182-F299 HydrophobicContact CD2-CD1 3.88Å; F182-F299 HydrophobicContact CD2-CD2 4.14Å; F182-F299 AromaticContact CD2-CG 3.61Å; F182-F299 HydrophobicContact CD2-CG 3.61Å; F182-F299 HydrophobicContact CE2-CB 3.88Å; F182-F299 HydrophobicContact CE2-CG 4.29Å; F182-Y300 HydrophobicContact CB-CE2 4.33Å
183D68.3Low59.8Low103 Ų10399.2 Ų99.255%0.55156%0.557SS**  trans-68.9113.4175.1-166.81.7000109K181 T185K181-D183 PolarHBondContact O-N 2.91Å; D183-T185 PolarHBondContact O-N 3.34Å; D183-T185 WeakPolarHBondContact OD1-CG2 3.19Å
184S66.1Low61.9Low43 Ų4396 Ų9630%0.30153%0.531SS..  trans-826.5-172.817.90000112.9F182 G186 Y187F182-S184 PolarHBondContact O-N 3.45Å; S184-G186 PolarHBondContact O-N 3.37Å; S184-Y187 PolarHBondContact O-N 3.04Å; S184-Y187 VanDerWaalsContact O-N 3.14Å
185T62.6Low64.3Low109 Ų10989.2 Ų89.267%0.66949%0.489SS*.THydrogen-bonded Turntrans-58.8107.1-178.350.80000111.9D183D183-T185 PolarHBondContact O-N 3.34Å; D183-T185 WeakPolarHBondContact OD1-CG2 3.19Å
186G69.1Low66.7Low80 Ų8086 Ų8683%0.82547%0.466SS*.THydrogen-bonded Turntrans112.9-9.1176.300000115.3S184S184-G186 PolarHBondContact O-N 3.37Å
187Y72.5Confident69.2Low47 Ų4788.2 Ų88.218%0.18447%0.467CS..SBendtrans-122.6153.8176.9-62.6-87.1000110.8S184 K189 L292 E295S184-Y187 PolarHBondContact O-N 3.04Å; S184-Y187 VanDerWaalsContact O-N 3.14Å; Y187-K189 PolarHBondContact O-N 3.04Å; Y187-L292 HydrophobicContact CD1-CB 3.93Å; Y187-L292 HydrophobicContact CD1-CD1 4.08Å; Y187-L292 HydrophobicContact CD1-CD2 4.03Å; Y187-L292 HydrophobicContact CD1-CG 4.23Å; Y187-L292 HydrophobicContact CD2-CD1 3.79Å; Y187-L292 HydrophobicContact CE1-CB 3.78Å; Y187-L292 HydrophobicContact CE1-CD1 4.34Å; Y187-L292 HydrophobicContact CE1-CG 4.49Å; Y187-L292 HydrophobicContact CE2-CD1 4.08Å; Y187-L292 HydrophobicContact CG-CD1 3.79Å; Y187-L292 HydrophobicContact CG-CD2 4.17Å; Y187-L292 HydrophobicContact CG-CG 4.37Å; Y187-E295 WeakPolarHBondContact CE2-OE2 3.45Å; Y187-E295 PolarHBondContact OH-OE1 2.97Å; Y187-E295 PolarHBondContact OH-OE2 3.02Å
188D76.7Confident71.1Confident87 Ų8785.4 Ų85.447%0.46545%0.445SS..  trans-64.9123172-62.6-52.6000108.8D190 L191 V192D188-D190 PolarHBondContact O-N 2.76Å; D188-D190 VanDerWaalsContact O-N 3.15Å; D188-L191 HydrophobicContact CB-CB 4.42Å; D188-L191 HydrophobicContact CB-CD1 3.9Å; D188-L191 HydrophobicContact CB-CG 3.89Å; D188-L191 WeakPolarHBondContact O-CA 3.45Å; D188-L191 VanDerWaalsContact O-CB 3.32Å; D188-L191 WeakPolarHBondContact O-CB 3.4Å; D188-L191 PolarHBondContact O-N 3.23Å; D188-V192 PolarHBondContact O-N 3Å
189K80.5Confident73.1Confident127 Ų12776.9 Ų76.955%0.55241%0.406SS*.Hα-helixtrans-55.1-35.9-176.5-174.7-179.6170.4-163.80111.9Y187 L191 V192 E193Y187-K189 PolarHBondContact O-N 3.04Å; K189-L191 VanDerWaalsContact C-N 3.3Å; K189-L191 PolarHBondContact O-N 3.19Å; K189-V192 PolarHBondContact O-N 3.16Å; K189-E193 WeakPolarHBondContact CE-OE1 3.3Å; K189-E193 IonicContact NZ-OE1 3.5Å; K189-E193 PolarHBondContact O-N 3.14Å
190D79.4Confident74.5Confident125 Ų12573.1 Ų73.167%0.66838%0.381SS*.Hα-helixtrans-64-35.2177.6-59.9-20.2000112.1D188 A194D188-D190 PolarHBondContact O-N 2.76Å; D188-D190 VanDerWaalsContact O-N 3.15Å; D190-A194 VanDerWaalsContact O-CB 3.22Å; D190-A194 WeakPolarHBondContact O-CB 3.48Å; D190-A194 PolarHBondContact O-N 3.16Å
191L77.4Confident75.2Confident11 Ų1169.3 Ų69.36%0.05837%0.365CS..Hα-helixtrans-67.1-42.9174.8-65.1177.4000111D188 K189 A194 L195 Y282 L292D188-L191 HydrophobicContact CB-CB 4.42Å; D188-L191 HydrophobicContact CB-CD1 3.9Å; D188-L191 HydrophobicContact CB-CG 3.89Å; D188-L191 WeakPolarHBondContact O-CA 3.45Å; D188-L191 VanDerWaalsContact O-CB 3.32Å; D188-L191 WeakPolarHBondContact O-CB 3.4Å; D188-L191 PolarHBondContact O-N 3.23Å; K189-L191 VanDerWaalsContact C-N 3.3Å; K189-L191 PolarHBondContact O-N 3.19Å; L191-A194 PolarHBondContact O-N 3.39Å; L191-L195 WeakPolarHBondContact O-CB 3.5Å; L191-L195 WeakPolarHBondContact O-CG 3.34Å; L191-L195 PolarHBondContact O-N 2.86Å; L191-Y282 HydrophobicContact CD2-CD1 3.26Å; L191-Y282 HydrophobicContact CD2-CD2 4.21Å; L191-Y282 HydrophobicContact CD2-CE1 3.1Å; L191-Y282 HydrophobicContact CD2-CE2 4.05Å; L191-Y282 HydrophobicContact CD2-CG 3.83Å; L191-L292 HydrophobicContact CB-CD2 4.31Å
192V81.9Confident75.2Confident6 Ų668.7 Ų68.74%0.03636%0.364CS..Hα-helixtrans-62.3-50.6177.8-176.30000110F182 D188 K189 A194 L195 E196 L292 M296F182-V192 HydrophobicContact CD1-CG1 3.91Å; D188-V192 PolarHBondContact O-N 3Å; K189-V192 PolarHBondContact O-N 3.16Å; V192-A194 VanDerWaalsContact C-N 3.32Å; V192-A194 PolarHBondContact O-N 3.42Å; V192-L195 WeakPolarHBondContact O-CB 3.36Å; V192-L195 PolarHBondContact O-N 3.46Å; V192-E196 HydrophobicContact CG1-CG 4.42Å; V192-E196 WeakPolarHBondContact O-CG 3.49Å; V192-E196 PolarHBondContact O-N 3.25Å; V192-L292 HydrophobicContact CG2-CD1 4.07Å; V192-L292 HydrophobicContact CG2-CD2 3.84Å; V192-M296 HydrophobicContact CG1-CE 4.3Å; V192-M296 HydrophobicContact CG1-SD 4.34Å
193E83.3Confident75.2Confident98 Ų9872 Ų7246%0.45838%0.383SS..Hα-helixtrans-63-38.2-179.9-71.2-174.7178.300112.1K189 E196 R197K189-E193 WeakPolarHBondContact CE-OE1 3.3Å; K189-E193 IonicContact NZ-OE1 3.5Å; K189-E193 PolarHBondContact O-N 3.14Å; E193-E196 PolarHBondContact O-N 2.92Å; E193-R197 WeakPolarHBondContact O-CB 3.29Å; E193-R197 PolarHBondContact O-N 2.9Å
194A79.6Confident75.3Confident22 Ų2268.3 Ų68.318%0.18237%0.365CS..Hα-helixtrans-65.1-40.9174.800000112.2D190 L191 V192 R197 D198 Y282D190-A194 VanDerWaalsContact O-CB 3.22Å; D190-A194 WeakPolarHBondContact O-CB 3.48Å; D190-A194 PolarHBondContact O-N 3.16Å; L191-A194 PolarHBondContact O-N 3.39Å; V192-A194 VanDerWaalsContact C-N 3.32Å; V192-A194 PolarHBondContact O-N 3.42Å; A194-R197 PolarHBondContact O-N 3.44Å; A194-D198 VanDerWaalsContact O-CB 3.29Å; A194-D198 WeakPolarHBondContact O-CB 3.46Å; A194-D198 PolarHBondContact O-N 3.34Å; A194-Y282 WeakPolarHBondContact CB-OH 3.24Å
195L80.7Confident76.1Confident5 Ų572.3 Ų72.33%0.02638%0.383CS..Hα-helixtrans-65.6-44.1174.6-77.4-175.9000112.2L191 V192 R197 D198 I199 L289 L292 M296L191-L195 WeakPolarHBondContact O-CB 3.5Å; L191-L195 WeakPolarHBondContact O-CG 3.34Å; L191-L195 PolarHBondContact O-N 2.86Å; V192-L195 WeakPolarHBondContact O-CB 3.36Å; V192-L195 PolarHBondContact O-N 3.46Å; L195-R197 VanDerWaalsContact C-N 3.27Å; L195-R197 PolarHBondContact O-N 3.33Å; L195-D198 PolarHBondContact O-N 3.15Å; L195-I199 HydrophobicContact CD2-CD1 3.36Å; L195-I199 HydrophobicContact CD2-CG1 4Å; L195-I199 VanDerWaalsContact O-CB 3.26Å; L195-I199 WeakPolarHBondContact O-CB 3.49Å; L195-I199 PolarHBondContact O-N 3.42Å; L195-L289 HydrophobicContact CD1-CD1 3.72Å; L195-L289 HydrophobicContact CD1-CG 4.27Å; L195-L289 HydrophobicContact CD2-CD1 3.58Å; L195-L289 HydrophobicContact CD2-CD2 4.35Å; L195-L289 HydrophobicContact CD2-CG 3.93Å; L195-L289 HydrophobicContact CG-CD1 3.71Å; L195-L289 HydrophobicContact CG-CG 4.47Å; L195-L292 HydrophobicContact CD1-CB 4.16Å; L195-L292 HydrophobicContact CD1-CD2 3.49Å; L195-L292 VanDerWaalsContact CD1-CD2 3.49Å; L195-L292 HydrophobicContact CD1-CG 3.63Å; L195-M296 HydrophobicContact CB-CE 4.33Å; L195-M296 HydrophobicContact CB-SD 4.07Å; L195-M296 HydrophobicContact CD1-SD 3.96Å
196E83.5Confident77.3Confident54 Ų5468 Ų6825%0.25236%0.357SS..Hα-helixtrans-58.9-42.1176.9-72.6-169.2155.500111.1V192 E193 I200 M296 Y300V192-E196 HydrophobicContact CG1-CG 4.42Å; V192-E196 WeakPolarHBondContact O-CG 3.49Å; V192-E196 PolarHBondContact O-N 3.25Å; E193-E196 PolarHBondContact O-N 2.92Å; E196-I200 HydrophobicContact CB-CD1 4.15Å; E196-I200 HydrophobicContact CG-CD1 3.85Å; E196-I200 WeakPolarHBondContact O-CB 3.45Å; E196-I200 PolarHBondContact O-N 3.33Å; E196-M296 HydrophobicContact CB-CE 4.4Å; E196-M296 HydrophobicContact CG-CE 3.26Å; E196-Y300 PolarHBondContact OE1-OH 2.73Å
197R80.7Confident78.2Confident214 Ų21471.4 Ų71.481%0.80834%0.344SS*.Hα-helixtrans-71.6-44.6179.2179.5-176.2151.6-178-4.4113.4E193 A194 L195E193-R197 WeakPolarHBondContact O-CB 3.29Å; E193-R197 PolarHBondContact O-N 2.9Å; A194-R197 PolarHBondContact O-N 3.44Å; L195-R197 VanDerWaalsContact C-N 3.27Å; L195-R197 PolarHBondContact O-N 3.33Å
198D75.2Confident78.9Confident60 Ų6069.7 Ų69.732%0.32134%0.338SS..Hα-helixtrans-84.7-31.2-170.8-73.3-14.6000112.8A194 L195 K281A194-D198 VanDerWaalsContact O-CB 3.29Å; A194-D198 WeakPolarHBondContact O-CB 3.46Å; A194-D198 PolarHBondContact O-N 3.34Å; L195-D198 PolarHBondContact O-N 3.15Å; D198-K281 IonicContact OD1-NZ 3.25Å; D198-K281 IonicContact OD2-NZ 3.91Å; D198-K281 PolarHBondContact OD2-NZ 3.14Å
199I77.3Confident79.4Confident2 Ų272.2 Ų72.21%0.0135%0.351CS..Hα-helixtrans-107.4-37.5-169.1-54.8-161.3000112L195 S201 F271 N272 V273 T277 L293L195-I199 HydrophobicContact CD2-CD1 3.36Å; L195-I199 HydrophobicContact CD2-CG1 4Å; L195-I199 VanDerWaalsContact O-CB 3.26Å; L195-I199 WeakPolarHBondContact O-CB 3.49Å; L195-I199 PolarHBondContact O-N 3.42Å; I199-S201 PolarHBondContact O-N 3.28Å; I199-F271 HydrophobicContact CG2-CB 3.57Å; I199-F271 HydrophobicContact CG2-CD1 3.79Å; I199-F271 HydrophobicContact CG2-CG 4.16Å; I199-F271 CarbonylContact O-C 3.59Å; I199-F271 WeakPolarHBondContact O-CA 3.38Å; I199-N272 PolarHBondContact O-N 2.96Å; I199-V273 HydrophobicContact CD1-CG2 4.23Å; I199-V273 HydrophobicContact CG2-CG2 3.93Å; I199-T277 HydrophobicContact CD1-CG2 3.79Å; I199-T277 HydrophobicContact CG1-CG2 4.06Å; I199-L293 HydrophobicContact CD1-CD1 4.25Å; I199-L293 HydrophobicContact CG2-CD1 4.03Å
200I78.6Confident79.6Confident27 Ų2770.3 Ų70.314%0.13835%0.347CS..EExtended strand (participates in β ladder)trans-81.8108.3-174.8-54.3-179.1000109.9E196 Q202 F271 M296 Y300E196-I200 HydrophobicContact CB-CD1 4.15Å; E196-I200 HydrophobicContact CG-CD1 3.85Å; E196-I200 WeakPolarHBondContact O-CB 3.45Å; E196-I200 PolarHBondContact O-N 3.33Å; I200-Q202 HydrophobicContact CG2-CG 3.97Å; I200-F271 HydrophobicContact CD1-CE1 3.81Å; I200-F271 HydrophobicContact CD1-CZ 4.24Å; I200-F271 HydrophobicContact CG1-CD1 3.88Å; I200-F271 HydrophobicContact CG1-CE1 3.57Å; I200-F271 HydrophobicContact CG1-CZ 4.24Å; I200-M296 HydrophobicContact CD1-CE 3.93Å; I200-Y300 HydrophobicContact CD1-CD2 4.14Å; I200-Y300 HydrophobicContact CD1-CE2 3.83Å
201S75Confident80Confident49 Ų4965.1 Ų65.134%0.34332%0.319SS..EExtended strand (participates in β ladder)trans-100.5107.2163.9-169.10000108I199 N203 F270I199-S201 PolarHBondContact O-N 3.28Å; S201-N203 PolarHBondContact O-N 3.35Å; S201-N203 VanDerWaalsContact O-N 3.16Å; S201-F270 PolarHBondContact N-O 3.22Å
202Q62.4Low80.5Confident151 Ų15165 Ų6571%0.70632%0.32SS*.SBendtrans-67.1-16.4-172.8-75.5-169.1-7.700114I200I200-Q202 HydrophobicContact CG2-CG 3.97Å
203N67.7Low80.7Confident92 Ų9266.6 Ų66.649%0.49233%0.328SS..  trans-170.4110.7168.1-85.5-28.9000110.1S201 N205S201-N203 PolarHBondContact O-N 3.35Å; S201-N203 VanDerWaalsContact O-N 3.16Å; N203-N205 PolarHBondContact O-N 3.04Å
204P71.6Confident81Confident26 Ų2662.6 Ų62.617%0.16931%0.31CS..  trans-73.6-2.3178.928-32.3000114.3V206 K260 A263P204-V206 WeakPolarHBondContact O-CG2 3.25Å; P204-V206 PolarHBondContact O-N 3.14Å; P204-V206 VanDerWaalsContact O-N 3.14Å; P204-K260 HydrophobicContact CB-CB 3.72Å; P204-K260 HydrophobicContact CB-CD 3.89Å; P204-K260 HydrophobicContact CB-CG 3.62Å; P204-K260 HydrophobicContact CG-CB 3.71Å; P204-K260 HydrophobicContact CG-CG 3.92Å; P204-K260 WeakPolarHBondContact CG-O 3.46Å; P204-A263 HydrophobicContact CG-CB 4.4Å
205N82.1Confident81.4Confident127 Ų12766.6 Ų66.668%0.67933%0.331SS*.  trans50.435.6175.2-71.9-20.7000114.5N203N203-N205 PolarHBondContact O-N 3.04Å
206V87.4Confident81.9Confident19 Ų1971.8 Ų71.812%0.11536%0.355CS..  trans-106.3126.7174.8-176.70000108.3P204 D210 I211 L257 K260 A261 T264P204-V206 WeakPolarHBondContact O-CG2 3.25Å; P204-V206 PolarHBondContact O-N 3.14Å; P204-V206 VanDerWaalsContact O-N 3.14Å; V206-D210 HydrophobicContact CG1-CB 4.42Å; V206-I211 HydrophobicContact CG1-CD1 4.39Å; V206-I211 HydrophobicContact CG1-CG1 4.35Å; V206-L257 HydrophobicContact CG1-CD2 4.41Å; V206-L257 HydrophobicContact CG2-CD2 4.33Å; V206-K260 HydrophobicContact CB-CB 4.19Å; V206-K260 HydrophobicContact CG2-CB 3.96Å; V206-K260 HydrophobicContact CG2-CD 4.39Å; V206-A261 HydrophobicContact CG1-CB 4.12Å; V206-A261 WeakPolarHBondContact O-CA 3.47Å; V206-T264 PolarHBondContact N-OG1 2.78Å; V206-T264 WeakPolarHBondContact O-CB 3.49Å; V206-T264 WeakPolarHBondContact O-CG2 3.42Å; V206-T264 PolarHBondContact O-OG1 3.49Å
207R88.3Confident82.2Confident150 Ų15069.4 Ų69.457%0.56635%0.345SS*.  trans-99.1165.1175.7-65.4179.6175.5-91.90.2111.2D209 D210R207-D209 PolarHBondContact O-N 3.18Å; R207-D210 PolarHBondContact N-OD2 2.85Å; R207-D210 PolarHBondContact O-N 3.24Å
208W88.2Confident82.8Confident12 Ų1260.8 Ų60.85%0.04531%0.314CS..G310 helixtrans-61.3-26.1173.6-70.1118.7000113.7D210 K218 L221 K222 L258 A261 V262 E265W208-D210 VanDerWaalsContact C-N 3.34Å; W208-K218 HydrophobicContact CE3-CB 4.28Å; W208-K218 HydrophobicContact CE3-CD 3.99Å; W208-K218 HydrophobicContact CE3-CG 3.72Å; W208-K218 HydrophobicContact CZ3-CB 4.23Å; W208-K218 HydrophobicContact CZ3-CG 3.8Å; W208-K218 PolarHBondContact O-NZ 3.25Å; W208-L221 HydrophobicContact CH2-CB 4.12Å; W208-L221 HydrophobicContact CH2-CD1 4.3Å; W208-K222 HydrophobicContact CZ2-CG 4.1Å; W208-L258 HydrophobicContact CZ3-CD2 3.85Å; W208-A261 HydrophobicContact CD2-CB 4.32Å; W208-A261 HydrophobicContact CE3-CB 4.01Å; W208-A261 HydrophobicContact CZ3-CB 4.14Å; W208-V262 HydrophobicContact CH2-CG2 3.42Å; W208-V262 VanDerWaalsContact CH2-CG2 3.42Å; W208-V262 HydrophobicContact CZ2-CG2 3.8Å; W208-V262 HydrophobicContact CZ3-CG2 4.49Å; W208-E265 VanDerWaalsContact CD1-OE1 3.29Å; W208-E265 HydrophobicContact CG-CG 4.25Å
209D86.4Confident83.6Confident140 Ų14062.8 Ų62.875%0.74932%0.32SS*.G310 helixtrans-77-22.3-178.5-57.1-33.8000112.3R207 I211R207-D209 PolarHBondContact O-N 3.18Å; D209-I211 PolarHBondContact O-N 3.03Å
210D85.2Confident84.2Confident86 Ų8663.6 Ų63.646%0.4632%0.324SS..G310 helixtrans-79.4-9.2178-56.7-41.8000112.6V206 R207 W208V206-D210 HydrophobicContact CG1-CB 4.42Å; R207-D210 PolarHBondContact N-OD2 2.85Å; R207-D210 PolarHBondContact O-N 3.24Å; W208-D210 VanDerWaalsContact C-N 3.34Å
211I87.9Confident84.8Confident16 Ų1662.3 Ų62.38%0.08232%0.317CS..SBendtrans-103.4117.3-179.6-58.2179000107.7V206 D209 L214 K218 L257 L258 A261V206-I211 HydrophobicContact CG1-CD1 4.39Å; V206-I211 HydrophobicContact CG1-CG1 4.35Å; D209-I211 PolarHBondContact O-N 3.03Å; I211-L214 HydrophobicContact CG2-CD1 4.21Å; I211-K218 PolarHBondContact O-NZ 3.19Å; I211-L257 HydrophobicContact CD1-CB 4.35Å; I211-L258 HydrophobicContact CD1-CD2 3.8Å; I211-L258 HydrophobicContact CD1-CG 4.25Å; I211-L258 HydrophobicContact CG2-CD2 4.17Å; I211-A261 HydrophobicContact CD1-CB 3.61Å
212A88.1Confident85.5Confident9 Ų964.2 Ų64.27%0.07432%0.319CS..  trans-73150.6174.200000111.8E389 L390 I393A212-E389 HydrophobicContact CB-CB 3.83Å; A212-L390 HydrophobicContact CB-CD2 3.63Å; A212-L390 HydrophobicContact CB-CG 3.63Å; A212-I393 HydrophobicContact CB-CD1 3.97Å
213D85.9Confident86.8Confident39 Ų3960.9 Ų60.921%0.20930%0.304CS..SBendtrans55.3-149.9175.5-154.8-17000113.4V215 K218 S383D213-V215 VanDerWaalsContact C-N 3.31Å; D213-V215 PolarHBondContact O-N 3.44Å; D213-K218 WeakPolarHBondContact O-CE 3.47Å; D213-K218 PolarHBondContact O-NZ 3.07Å; D213-S383 VanDerWaalsContact OD2-CB 3.26Å; D213-S383 WeakPolarHBondContact OD2-CB 3.46Å; D213-S383 PolarHBondContact OD2-N 2.81Å; D213-S383 PolarHBondContact OD2-OG 2.75Å
214L88.3Confident87.6Confident15 Ų1556.7 Ų56.78%0.07928%0.282CS..  trans62.433.1174.4-56.7177.9000113.5I211 E216 A217 K218 L258 I379 P380I211-L214 HydrophobicContact CG2-CD1 4.21Å; L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 3.26Å; L214-A217 HydrophobicContact CB-CB 4.29Å; L214-A217 PolarHBondContact O-N 3.33Å; L214-A217 VanDerWaalsContact O-N 3.15Å; L214-K218 WeakPolarHBondContact O-CB 3.46Å; L214-K218 VanDerWaalsContact O-CG 3.31Å; L214-K218 WeakPolarHBondContact O-CG 3.34Å; L214-K218 PolarHBondContact O-N 3.1Å; L214-L258 HydrophobicContact CD1-CD1 4Å; L214-L258 HydrophobicContact CD1-CD2 4.46Å; L214-L258 HydrophobicContact CD1-CG 4.42Å; L214-I379 HydrophobicContact CD1-CG2 3.98Å; L214-I379 HydrophobicContact CD2-CG2 3.9Å; L214-P380 HydrophobicContact CD2-CG 4.12Å
215V89.4Confident88.2Confident105 Ų10555.6 Ų55.664%0.63627%0.274SS*.Hα-helixtrans-52.5-46.2-176.5-1770000111.7D213 K218 K219D213-V215 VanDerWaalsContact C-N 3.31Å; D213-V215 PolarHBondContact O-N 3.44Å; V215-K218 PolarHBondContact O-N 3.2Å; V215-K219 WeakPolarHBondContact O-CB 3.41Å; V215-K219 PolarHBondContact O-N 3.06Å
216E90.1Very high88.3Confident114 Ų11449.9 Ų49.953%0.53324%0.244SC..Hα-helixtrans-69.1-43.3-178.6-156.563.6-164.900111.9L214 K218 K219 L220L214-E216 VanDerWaalsContact C-N 3.28Å; L214-E216 PolarHBondContact O-N 3.26Å; E216-K218 PolarHBondContact O-N 3.46Å; E216-K219 PolarHBondContact O-N 3.15Å; E216-K219 IonicContact OE1-NZ 3.99Å; E216-L220 WeakPolarHBondContact O-CB 3.41Å; E216-L220 VanDerWaalsContact O-CG 3.31Å; E216-L220 WeakPolarHBondContact O-CG 3.3Å; E216-L220 PolarHBondContact O-N 2.95Å
217A91.2Very high88.3Confident5 Ų551.5 Ų51.54%0.04125%0.252CS..Hα-helixtrans-64.6-41.1177.100000112L214 L220 L221 I377 I379L214-A217 HydrophobicContact CB-CB 4.29Å; L214-A217 PolarHBondContact O-N 3.33Å; L214-A217 VanDerWaalsContact O-N 3.15Å; A217-L220 PolarHBondContact O-N 3.44Å; A217-L221 WeakPolarHBondContact O-CB 3.41Å; A217-L221 WeakPolarHBondContact O-CG 3.36Å; A217-L221 PolarHBondContact O-N 3.29Å; A217-I377 HydrophobicContact CB-CG2 3.89Å; A217-I379 HydrophobicContact CB-CD1 3.42Å; A217-I379 VanDerWaalsContact CB-CD1 3.42Å
218K91.8Very high88.1Confident32 Ų3244.6 Ų44.614%0.13923%0.227CC..Hα-helixtrans-61.9-43.4174.2-69.8-179.3-173.1-179.80111.3W208 I211 D213 L214 V215 E216 L221 K222 L258W208-K218 HydrophobicContact CE3-CB 4.28Å; W208-K218 HydrophobicContact CE3-CD 3.99Å; W208-K218 HydrophobicContact CE3-CG 3.72Å; W208-K218 HydrophobicContact CZ3-CB 4.23Å; W208-K218 HydrophobicContact CZ3-CG 3.8Å; W208-K218 PolarHBondContact O-NZ 3.25Å; I211-K218 PolarHBondContact O-NZ 3.19Å; D213-K218 WeakPolarHBondContact O-CE 3.47Å; D213-K218 PolarHBondContact O-NZ 3.07Å; L214-K218 WeakPolarHBondContact O-CB 3.46Å; L214-K218 VanDerWaalsContact O-CG 3.31Å; L214-K218 WeakPolarHBondContact O-CG 3.34Å; L214-K218 PolarHBondContact O-N 3.1Å; V215-K218 PolarHBondContact O-N 3.2Å; E216-K218 PolarHBondContact O-N 3.46Å; K218-L221 PolarHBondContact O-N 3.42Å; K218-K222 WeakPolarHBondContact O-CB 3.12Å; K218-K222 VanDerWaalsContact O-CG 3.23Å; K218-K222 WeakPolarHBondContact O-CG 3.25Å; K218-K222 PolarHBondContact O-N 3.14Å; K218-L258 HydrophobicContact CG-CD2 4.19Å
219K92.2Very high87.7Confident103 Ų10347.2 Ų47.245%0.44824%0.24SC..Hα-helixtrans-61.1-50.9176.6179.2-174.7167.9-1610111.1V215 E216 L221 K222 E223V215-K219 WeakPolarHBondContact O-CB 3.41Å; V215-K219 PolarHBondContact O-N 3.06Å; E216-K219 PolarHBondContact O-N 3.15Å; E216-K219 IonicContact OE1-NZ 3.99Å; K219-L221 VanDerWaalsContact C-N 3.32Å; K219-L221 PolarHBondContact O-N 3.49Å; K219-K222 PolarHBondContact O-N 3.37Å; K219-E223 WeakPolarHBondContact CE-OE1 3.32Å; K219-E223 WeakPolarHBondContact CG-OE1 3.41Å; K219-E223 WeakPolarHBondContact O-CG 3.43Å; K219-E223 PolarHBondContact O-N 3.06Å
220L91.3Very high87.6Confident18 Ų1849.5 Ų49.59%0.09424%0.239CC..Hα-helixtrans-61.1-38.9178.7-69.4176.7000112.5E216 A217 E223 A224 I377E216-L220 WeakPolarHBondContact O-CB 3.41Å; E216-L220 VanDerWaalsContact O-CG 3.31Å; E216-L220 WeakPolarHBondContact O-CG 3.3Å; E216-L220 PolarHBondContact O-N 2.95Å; A217-L220 PolarHBondContact O-N 3.44Å; L220-E223 PolarHBondContact O-N 3.43Å; L220-A224 VanDerWaalsContact O-CB 3.28Å; L220-A224 WeakPolarHBondContact O-CB 3.19Å; L220-A224 PolarHBondContact O-N 2.97Å; L220-I377 HydrophobicContact CB-CD1 3.85Å; L220-I377 HydrophobicContact CB-CG1 4.25Å; L220-I377 HydrophobicContact CD1-CG1 4.47Å; L220-I377 HydrophobicContact CD1-CG2 4.23Å
221L90.5Very high87.6Confident1 Ų149.6 Ų49.61%0.00524%0.237CC..Hα-helixtrans-67.8-43.2174.5-77.3170.3000112.1W208 A217 K218 K219 E223 A224 V225 V245 M247 L258 V262 I377W208-L221 HydrophobicContact CH2-CB 4.12Å; W208-L221 HydrophobicContact CH2-CD1 4.3Å; A217-L221 WeakPolarHBondContact O-CB 3.41Å; A217-L221 WeakPolarHBondContact O-CG 3.36Å; A217-L221 PolarHBondContact O-N 3.29Å; K218-L221 PolarHBondContact O-N 3.42Å; K219-L221 VanDerWaalsContact C-N 3.32Å; K219-L221 PolarHBondContact O-N 3.49Å; L221-E223 VanDerWaalsContact C-N 3.3Å; L221-E223 PolarHBondContact O-N 3.13Å; L221-A224 PolarHBondContact O-N 3.18Å; L221-V225 WeakPolarHBondContact O-CB 3.5Å; L221-V225 WeakPolarHBondContact O-CG2 3.47Å; L221-V225 PolarHBondContact O-N 2.91Å; L221-V245 HydrophobicContact CD2-CG1 4.04Å; L221-M247 HydrophobicContact CD1-SD 4.3Å; L221-L258 HydrophobicContact CD1-CB 4.1Å; L221-L258 HydrophobicContact CD1-CD1 4.34Å; L221-L258 HydrophobicContact CD1-CD2 4.27Å; L221-V262 HydrophobicContact CB-CG2 4.26Å; L221-V262 HydrophobicContact CD1-CG2 4.22Å; L221-V262 HydrophobicContact CD2-CG2 4.41Å; L221-I377 HydrophobicContact CD2-CD1 3.65Å; L221-I377 HydrophobicContact CG-CD1 3.71Å
222K90.2Very high87.3Confident88 Ų8850.7 Ų50.738%0.38325%0.245SC..Iπ-helixtrans-59.5-42.9174.5-75.4175.5-178.8-172.90111.1W208 K218 K219 V226 L227W208-K222 HydrophobicContact CZ2-CG 4.1Å; K218-K222 WeakPolarHBondContact O-CB 3.12Å; K218-K222 VanDerWaalsContact O-CG 3.23Å; K218-K222 WeakPolarHBondContact O-CG 3.25Å; K218-K222 PolarHBondContact O-N 3.14Å; K219-K222 PolarHBondContact O-N 3.37Å; K222-V226 HydrophobicContact CB-CG2 4.44Å; K222-V226 HydrophobicContact CG-CG2 4.29Å; K222-V226 WeakPolarHBondContact O-CA 3.41Å; K222-V226 VanDerWaalsContact O-CB 3.29Å; K222-V226 WeakPolarHBondContact O-CB 3.35Å; K222-V226 PolarHBondContact O-N 3.27Å; K222-L227 PolarHBondContact O-N 3.25Å
223E88.5Confident87Confident82 Ų8256.9 Ų56.938%0.38327%0.273SS..Iπ-helixtrans-65.3-42.7177-72.9176.7-165.200113K219 L220 L221 L227K219-E223 WeakPolarHBondContact CE-OE1 3.32Å; K219-E223 WeakPolarHBondContact CG-OE1 3.41Å; K219-E223 WeakPolarHBondContact O-CG 3.43Å; K219-E223 PolarHBondContact O-N 3.06Å; L220-E223 PolarHBondContact O-N 3.43Å; L221-E223 VanDerWaalsContact C-N 3.3Å; L221-E223 PolarHBondContact O-N 3.13Å; E223-L227 HydrophobicContact CB-CD1 4.11Å; E223-L227 HydrophobicContact CG-CD1 3.9Å
224A85.8Confident87.1Confident3 Ų360 Ų603%0.02529%0.285CS..Iπ-helixtrans-74.8-32.4-177.200000113.4L220 L221 P228 V245L220-A224 VanDerWaalsContact O-CB 3.28Å; L220-A224 WeakPolarHBondContact O-CB 3.19Å; L220-A224 PolarHBondContact O-N 2.97Å; L221-A224 PolarHBondContact O-N 3.18Å; A224-P228 WeakPolarHBondContact O-CG 3.11Å; A224-V245 HydrophobicContact CB-CG2 4.16Å
225V84Confident86.7Confident3 Ų361 Ų612%0.01829%0.289CS..Iπ-helixtrans-114.3-50.2-168.9-175.90000113.2L221 P228 V262 M354 L356L221-V225 WeakPolarHBondContact O-CB 3.5Å; L221-V225 WeakPolarHBondContact O-CG2 3.47Å; L221-V225 PolarHBondContact O-N 2.91Å; V225-P228 WeakPolarHBondContact O-CD 3.4Å; V225-V262 HydrophobicContact CB-CG1 4.06Å; V225-V262 HydrophobicContact CG1-CG1 3.56Å; V225-V262 HydrophobicContact CG2-CG1 4.15Å; V225-M354 HydrophobicContact CB-CE 4.13Å; V225-M354 HydrophobicContact CB-SD 3.77Å; V225-M354 HydrophobicContact CG1-CE 3.24Å; V225-M354 HydrophobicContact CG1-SD 3.37Å; V225-M354 WeakPolarHBondContact CG1-SD 3.35Å; V225-M354 HydrophobicContact CG2-CE 3.83Å; V225-M354 HydrophobicContact CG2-SD 3.23Å; V225-M354 WeakPolarHBondContact CG2-SD 3.32Å; V225-L356 HydrophobicContact CG2-CD2 4.41Å
226V84.7Confident86.2Confident8 Ų860.3 Ų60.35%0.04828%0.277CS..Iπ-helixtrans-78.3-41.9-170.9-1780000110.6K222 M229 W230K222-V226 HydrophobicContact CB-CG2 4.44Å; K222-V226 HydrophobicContact CG-CG2 4.29Å; K222-V226 WeakPolarHBondContact O-CA 3.41Å; K222-V226 VanDerWaalsContact O-CB 3.29Å; K222-V226 WeakPolarHBondContact O-CB 3.35Å; K222-V226 PolarHBondContact O-N 3.27Å; V226-M229 PolarHBondContact O-N 3Å; V226-M229 VanDerWaalsContact O-N 3.11Å; V226-W230 HydrophobicContact CG1-CD2 3.77Å; V226-W230 HydrophobicContact CG1-CE3 4.23Å; V226-W230 HydrophobicContact CG1-CG 4.3Å; V226-W230 HydrophobicContact CG1-CH2 4.02Å; V226-W230 HydrophobicContact CG1-CZ2 3.52Å; V226-W230 HydrophobicContact CG1-CZ3 4.35Å; V226-W230 PolarHBondContact O-N 3.44Å; V226-W230 VanDerWaalsContact O-N 3.11Å
227L86.2Confident85.7Confident52 Ų5258.2 Ų58.227%0.27229%0.285SS..Hα-helixtrans-61.1-42-178.6-64.7-175000113.9K222 E223 M229 W230 M231 F235K222-L227 PolarHBondContact O-N 3.25Å; E223-L227 HydrophobicContact CB-CD1 4.11Å; E223-L227 HydrophobicContact CG-CD1 3.9Å; L227-M229 PolarHBondContact O-N 3.06Å; L227-W230 PolarHBondContact O-N 3.43Å; L227-M231 HydrophobicContact CB-CE 4.48Å; L227-M231 HydrophobicContact CD2-CE 4.07Å; L227-M231 PolarHBondContact O-N 3.02Å; L227-F235 VanDerWaalsContact C-CE2 3.45Å; L227-F235 HydrophobicContact CB-CE2 3.67Å; L227-F235 HydrophobicContact CB-CZ 3.64Å; L227-F235 WeakPolarHBondContact O-CE2 3.26Å
228P83.7Confident85.3Confident6 Ų666.2 Ų66.24%0.03933%0.326CS..Hα-helixtrans-55.5-35.7172.7-30.236.7000114.4A224 V225 F235 P241 M352A224-P228 WeakPolarHBondContact O-CG 3.11Å; V225-P228 WeakPolarHBondContact O-CD 3.4Å; P228-F235 HydrophobicContact CB-CD2 4.32Å; P228-F235 HydrophobicContact CB-CG 4.29Å; P228-F235 HydrophobicContact CG-CD1 4.03Å; P228-F235 HydrophobicContact CG-CD2 4.3Å; P228-F235 HydrophobicContact CG-CE1 3.98Å; P228-F235 HydrophobicContact CG-CE2 4.26Å; P228-F235 HydrophobicContact CG-CG 4.2Å; P228-F235 HydrophobicContact CG-CZ 4.1Å; P228-P241 HydrophobicContact CB-CB 3.86Å; P228-P241 HydrophobicContact CG-CB 3.77Å; P228-M352 HydrophobicContact CB-CE 4.05Å; P228-M352 HydrophobicContact CB-SD 4.33Å
229M81Confident84.8Confident66 Ų6671.6 Ų71.633%0.32535%0.345SS..Hα-helixtrans-74.5-37.2178.8-64.2-17372.100112.3V226 L227 C266 T268 P302V226-M229 PolarHBondContact O-N 3Å; V226-M229 VanDerWaalsContact O-N 3.11Å; L227-M229 PolarHBondContact O-N 3.06Å; M229-C266 HydrophobicContact CE-CB 4.31Å; M229-C266 HydrophobicContact SD-CB 3.57Å; M229-C266 VanDerWaalsContact SD-CB 3.57Å; M229-C266 VanDerWaalsContact SD-SG 3.68Å; M229-T268 HydrophobicContact CE-CG2 3.97Å; M229-T268 HydrophobicContact SD-CG2 4.2Å; M229-P302 HydrophobicContact CE-CB 4.27Å; M229-P302 HydrophobicContact CE-CG 4.37Å
230W83.3Confident84.2Confident189 Ų18972.5 Ų72.572%0.71635%0.346SS*.Hα-helixtrans-80-31.6-179.3-68.40.4000113.3V226 L227 P232V226-W230 HydrophobicContact CG1-CD2 3.77Å; V226-W230 HydrophobicContact CG1-CE3 4.23Å; V226-W230 HydrophobicContact CG1-CG 4.3Å; V226-W230 HydrophobicContact CG1-CH2 4.02Å; V226-W230 HydrophobicContact CG1-CZ2 3.52Å; V226-W230 HydrophobicContact CG1-CZ3 4.35Å; V226-W230 PolarHBondContact O-N 3.44Å; V226-W230 VanDerWaalsContact O-N 3.11Å; L227-W230 PolarHBondContact O-N 3.43Å; W230-P232 VanDerWaalsContact C-CD 3.49Å
231M84.8Confident83.8Confident88 Ų8873.4 Ų73.443%0.43335%0.353SS..  trans-130.461.1-175.4-63-172.8-63.900112L227 E233 F234 F235L227-M231 HydrophobicContact CB-CE 4.48Å; L227-M231 HydrophobicContact CD2-CE 4.07Å; L227-M231 PolarHBondContact O-N 3.02Å; M231-E233 PolarHBondContact O-N 2.99Å; M231-E233 VanDerWaalsContact O-N 3.11Å; M231-F234 HydrophobicContact CB-CB 4.07Å; M231-F234 WeakPolarHBondContact O-CB 3.11Å; M231-F234 PolarHBondContact O-N 3.15Å; M231-F235 WeakPolarHBondContact O-CD2 3.43Å
232P81.6Confident83.5Confident39 Ų3978.9 Ų78.925%0.25337%0.374SS..THydrogen-bonded Turntrans-58.9-29.8-177.425.1-35.4000112.9W230 F234 F235 P349W230-P232 VanDerWaalsContact C-CD 3.49Å; P232-F234 VanDerWaalsContact C-N 3.29Å; P232-F234 PolarHBondContact O-N 3.35Å; P232-F235 PolarHBondContact O-N 3.36Å; P232-P349 HydrophobicContact CB-CB 3.65Å; P232-P349 HydrophobicContact CB-CG 3.96Å; P232-P349 HydrophobicContact CG-CB 4.23Å; P232-P349 HydrophobicContact CG-CG 4.13Å
233E83.6Confident82.9Confident139 Ų13977.5 Ų77.565%0.6537%0.368SS*.THydrogen-bonded Turntrans-63.8-29.9175.7-64.2-55.3128.100113.8M231 K236M231-E233 PolarHBondContact O-N 2.99Å; M231-E233 VanDerWaalsContact O-N 3.11Å; E233-K236 IonicContact OE1-NZ 3.61Å; E233-K236 PolarHBondContact OE1-NZ 3.21Å; E233-K236 IonicContact OE2-NZ 2.71Å; E233-K236 PolarHBondContact OE2-NZ 3.23Å
234F86.1Confident83Confident105 Ų10573.6 Ų73.646%0.46135%0.35SS..THydrogen-bonded Turntrans-78.2-33178.6-176.1-90.2000112M231 P232 K236M231-F234 HydrophobicContact CB-CB 4.07Å; M231-F234 WeakPolarHBondContact O-CB 3.11Å; M231-F234 PolarHBondContact O-N 3.15Å; P232-F234 VanDerWaalsContact C-N 3.29Å; P232-F234 PolarHBondContact O-N 3.35Å; F234-K236 VanDerWaalsContact C-N 3.26Å; F234-K236 PolarHBondContact O-N 3.43Å
235F82Confident83.3Confident36 Ų3673.5 Ų73.516%0.15835%0.348CS..SBendtrans-90.845.4-174.7-71.2-91.3000112.8L227 P228 M231 P232 R239L227-F235 VanDerWaalsContact C-CE2 3.45Å; L227-F235 HydrophobicContact CB-CE2 3.67Å; L227-F235 HydrophobicContact CB-CZ 3.64Å; L227-F235 WeakPolarHBondContact O-CE2 3.26Å; P228-F235 HydrophobicContact CB-CD2 4.32Å; P228-F235 HydrophobicContact CB-CG 4.29Å; P228-F235 HydrophobicContact CG-CD1 4.03Å; P228-F235 HydrophobicContact CG-CD2 4.3Å; P228-F235 HydrophobicContact CG-CE1 3.98Å; P228-F235 HydrophobicContact CG-CE2 4.26Å; P228-F235 HydrophobicContact CG-CG 4.2Å; P228-F235 HydrophobicContact CG-CZ 4.1Å; M231-F235 WeakPolarHBondContact O-CD2 3.43Å; P232-F235 PolarHBondContact O-N 3.36Å; F235-R239 CarbonylContact C-O 3.57Å; F235-R239 WeakPolarHBondContact CA-O 3.49Å; F235-R239 WeakPolarHBondContact CB-O 3.3Å; F235-R239 VanDerWaalsContact CD1-O 3.24Å; F235-R239 WeakPolarHBondContact CD1-O 3.32Å
236K78.1Confident83.8Confident90 Ų9073.3 Ų73.339%0.39135%0.347SS..  trans-107.5155.4177-65.9-177.4177.6174.70111.9E233 F234 I238 R239E233-K236 IonicContact OE1-NZ 3.61Å; E233-K236 PolarHBondContact OE1-NZ 3.21Å; E233-K236 IonicContact OE2-NZ 2.71Å; E233-K236 PolarHBondContact OE2-NZ 3.23Å; F234-K236 VanDerWaalsContact C-N 3.26Å; F234-K236 PolarHBondContact O-N 3.43Å; K236-I238 PolarHBondContact O-N 3.45Å; K236-R239 PolarHBondContact O-N 2.64Å
237G79.6Confident84.2Confident69 Ų6973 Ų7371%0.71135%0.345SS*.G310 helixtrans64.4-120176.900000113.2R239 R240G237-R239 VanDerWaalsContact C-N 3.3Å; G237-R239 PolarHBondContact O-N 3.36Å; G237-R240 PolarHBondContact O-N 3.22Å
238I82.1Confident84.6Confident174 Ų17470.5 Ų70.589%0.89233%0.332SS*.G310 helixtrans-67.4-31.6-178-61.5171.9000111.4K236 R240K236-I238 PolarHBondContact O-N 3.45Å; I238-R240 PolarHBondContact O-N 3.28Å; I238-R240 VanDerWaalsContact O-N 3.15Å
239R81.2Confident85Confident144 Ų14470.2 Ų70.254%0.54333%0.33SS..G310 helixtrans-86.833.1-179.4-55.5-178.7-148.7155.67.6112.1F235 K236 G237F235-R239 CarbonylContact C-O 3.57Å; F235-R239 WeakPolarHBondContact CA-O 3.49Å; F235-R239 WeakPolarHBondContact CB-O 3.3Å; F235-R239 VanDerWaalsContact CD1-O 3.24Å; F235-R239 WeakPolarHBondContact CD1-O 3.32Å; K236-R239 PolarHBondContact O-N 2.64Å; G237-R239 VanDerWaalsContact C-N 3.3Å; G237-R239 PolarHBondContact O-N 3.36Å
240R79.9Confident85.6Confident122 Ų12267 Ų6746%0.4632%0.315SS..PPolyproline II helixtrans-54.8144176.365.8-17518092.93109.9G237 I238 E374G237-R240 PolarHBondContact O-N 3.22Å; I238-R240 PolarHBondContact O-N 3.28Å; I238-R240 VanDerWaalsContact O-N 3.15Å; R240-E374 IonicContact CZ-OE1 3.93Å; R240-E374 IonicContact NH1-OE1 2.61Å; R240-E374 IonicContact NH1-OE2 3.94Å; R240-E374 IonicContact NH2-OE1 2.8Å; R240-E374 PolarHBondContact NH2-OE1 3.38Å
241P82.8Confident86.1Confident38 Ų3860.7 Ų60.725%0.24730%0.298CS..PPolyproline II helixtrans-61.2151.9177.227.2-33.8000110.8P228 K243 M352P228-P241 HydrophobicContact CB-CB 3.86Å; P228-P241 HydrophobicContact CG-CB 3.77Å; P241-K243 PolarHBondContact O-N 3.17Å; P241-M352 HydrophobicContact CB-CE 3.74Å; P241-M352 HydrophobicContact CG-CE 3.97Å
242W83.9Confident86.3Confident115 Ų11558 Ų5844%0.43629%0.293SS..PPolyproline II helixtrans-65.9128.6175.2-56.3107.1000109.3E374 K375W242-E374 HydrophobicContact CE3-CB 3.45Å; W242-E374 VanDerWaalsContact CE3-CB 3.45Å; W242-E374 HydrophobicContact CE3-CG 4.31Å; W242-E374 HydrophobicContact CZ3-CB 3.81Å; W242-K375 HydrophobicContact CB-CB 4.47Å; W242-K375 HydrophobicContact CD2-CB 4.37Å; W242-K375 HydrophobicContact CG-CB 4.19Å
243K78.7Confident86.8Confident60 Ų6056.8 Ų56.826%0.26129%0.285SS..SBendtrans-76.4-31.3-178.5-67.3-176.7173.8-171.80112.7P241 G341 V355P241-K243 PolarHBondContact O-N 3.17Å; K243-G341 PolarHBondContact NZ-O 3.16Å; K243-V355 PolarHBondContact O-N 3.47Å
244G89.2Confident87.1Confident0 Ų051.1 Ų51.10%026%0.264CS..EExtended strand (participates in β ladder)trans-139.9133-175.800000111.6V355 E374 K375G244-V355 WeakPolarHBondContact CA-O 3.42Å; G244-E374 PolarHBondContact O-N 3Å; G244-K375 PolarHBondContact O-N 2.89Å
245V92.4Very high87.4Confident0 Ų046.7 Ų46.70%024%0.244CC..EExtended strand (participates in β ladder)trans-118.8126.8174.7-173.80000108.9L221 A224 V355 L356 A357 K375 I377L221-V245 HydrophobicContact CD2-CG1 4.04Å; A224-V245 HydrophobicContact CB-CG2 4.16Å; V245-V355 PolarHBondContact N-O 2.66Å; V245-L356 HydrophobicContact CB-CD2 3.74Å; V245-L356 HydrophobicContact CG1-CD2 4.47Å; V245-L356 HydrophobicContact CG2-CD2 4.11Å; V245-L356 WeakPolarHBondContact O-CA 3.41Å; V245-A357 PolarHBondContact O-N 2.92Å; V245-K375 CarbonylContact C-O 3.53Å; V245-K375 WeakPolarHBondContact CA-O 3.45Å; V245-K375 HydrophobicContact CG1-CB 4.34Å; V245-K375 HydrophobicContact CG1-CG 4.41Å; V245-K375 HydrophobicContact CG2-CB 4.29Å; V245-I377 HydrophobicContact CG1-CD1 3.66Å; V245-I377 HydrophobicContact CG1-CG1 4.14Å
246L94Very high87.8Confident0 Ų047 Ų470%025%0.249CC..EExtended strand (participates in β ladder)trans-107.6121.2175.5178.563000110.1V248 I310 A357 T359 I365 L373 K375 R376 I377 W484L246-V248 HydrophobicContact CD1-CG1 4.34Å; L246-V248 HydrophobicContact CD2-CG1 3.67Å; L246-V248 HydrophobicContact CG-CG1 3.59Å; L246-I310 HydrophobicContact CD1-CG2 4.23Å; L246-A357 CarbonylContact C-O 3.58Å; L246-A357 WeakPolarHBondContact CA-O 3.4Å; L246-A357 HydrophobicContact CD1-CB 3.8Å; L246-T359 HydrophobicContact CD1-CG2 3.84Å; L246-T359 HydrophobicContact CG-CG2 4.44Å; L246-I365 HydrophobicContact CD1-CD1 4.1Å; L246-I365 HydrophobicContact CD2-CD1 3.72Å; L246-L373 HydrophobicContact CB-CB 3.93Å; L246-L373 HydrophobicContact CB-CD1 4.04Å; L246-L373 HydrophobicContact CB-CD2 4.4Å; L246-L373 HydrophobicContact CB-CG 4.34Å; L246-L373 HydrophobicContact CD1-CD1 4.08Å; L246-L373 HydrophobicContact CD2-CD1 4.14Å; L246-L373 HydrophobicContact CG-CD1 4.3Å; L246-K375 PolarHBondContact N-O 3.24Å; L246-R376 HydrophobicContact CB-CG 4.27Å; L246-R376 HydrophobicContact CD2-CG 4.3Å; L246-R376 CarbonylContact O-C 3.58Å; L246-R376 WeakPolarHBondContact O-CA 3.45Å; L246-I377 PolarHBondContact O-N 2.85Å; L246-W484 HydrophobicContact CD2-CH2 4.27Å
247M94.7Very high88.5Confident0 Ų047 Ų470%025%0.253CS..EExtended strand (participates in β ladder)trans-92.8121168.6-63.4177.8-74.600109.2L221 K255 L258 A259 F306 A357 A358 T359 I377 I379L221-M247 HydrophobicContact CD1-SD 4.3Å; M247-K255 HydrophobicContact CB-CD 4.25Å; M247-K255 HydrophobicContact CB-CG 4.31Å; M247-K255 WeakPolarHBondContact CE-O 3.03Å; M247-L258 HydrophobicContact SD-CB 4.03Å; M247-L258 HydrophobicContact SD-CD1 4.35Å; M247-A259 HydrophobicContact CE-CB 3.96Å; M247-F306 HydrophobicContact CE-CD2 4.27Å; M247-F306 HydrophobicContact CE-CE2 3.65Å; M247-A357 PolarHBondContact N-O 3.25Å; M247-A358 HydrophobicContact CE-CB 4.4Å; M247-A358 WeakPolarHBondContact O-CA 3.38Å; M247-T359 PolarHBondContact O-N 3.46Å; M247-T359 VanDerWaalsContact O-N 3.1Å; M247-I377 WeakPolarHBondContact CA-O 3.31Å; M247-I379 HydrophobicContact CB-CG1 4.21Å
248V94Very high89.1Confident0 Ų043.7 Ų43.70%022%0.219CC..EExtended strand (participates in β ladder)trans-118.9144.5179.1-49.80000109.8L246 T359 P362 I377 Y378 I379 W484 I485L246-V248 HydrophobicContact CD1-CG1 4.34Å; L246-V248 HydrophobicContact CD2-CG1 3.67Å; L246-V248 HydrophobicContact CG-CG1 3.59Å; V248-T359 HydrophobicContact CB-CG2 4.25Å; V248-T359 HydrophobicContact CG1-CG2 3.77Å; V248-P362 HydrophobicContact CB-CB 4.09Å; V248-P362 HydrophobicContact CB-CG 4.24Å; V248-P362 HydrophobicContact CG1-CB 3.78Å; V248-P362 HydrophobicContact CG1-CG 4.47Å; V248-I377 PolarHBondContact N-O 2.84Å; V248-Y378 HydrophobicContact CG2-CD2 4.25Å; V248-Y378 CarbonylContact O-C 3.39Å; V248-Y378 WeakPolarHBondContact O-CA 3.23Å; V248-I379 PolarHBondContact O-N 2.77Å; V248-W484 HydrophobicContact CB-CZ3 4.46Å; V248-W484 HydrophobicContact CG1-CH2 4.14Å; V248-W484 HydrophobicContact CG1-CZ3 3.86Å; V248-W484 HydrophobicContact CG2-CE3 4.38Å; V248-W484 HydrophobicContact CG2-CZ3 4.07Å; V248-I485 HydrophobicContact CG2-CD1 3.44Å; V248-I485 VanDerWaalsContact CG2-CD1 3.44Å; V248-I485 HydrophobicContact CG2-CG1 3.98Å
249G93.1Very high89.6Confident0 Ų035.4 Ų35.40%018%0.177CC..  trans157.5175.6173.600000112K255G249-K255 PolarHBondContact O-NZ 3.07Å
250P93.6Very high90Very high0 Ų031.7 Ų31.70%016%0.164CC..  trans-58.3156.1-178.818-26.7000113T253 K255 L381 V473 Y481P250-T253 HydrophobicContact CB-CG2 4.45Å; P250-T253 HydrophobicContact CG-CG2 3.79Å; P250-T253 PolarHBondContact O-OG1 2.76Å; P250-T253 VanDerWaalsContact O-OG1 3.05Å; P250-K255 PolarHBondContact O-NZ 3.03Å; P250-L381 HydrophobicContact CB-CD2 4.37Å; P250-L381 HydrophobicContact CG-CD2 3.82Å; P250-L381 HydrophobicContact CG-CG 4.02Å; P250-V473 HydrophobicContact CB-CG1 4.06Å; P250-V473 HydrophobicContact CB-CG2 3.63Å; P250-Y481 HydrophobicContact CB-CE2 4.08Å; P250-Y481 HydrophobicContact CG-CE2 4.48Å
251P91.9Very high90.6Very high56 Ų5625.9 Ų25.936%0.36414%0.142SC..THydrogen-bonded Turntrans-61.7154174.928.6-35.2000111T253P251-T253 VanDerWaalsContact C-N 3.33Å; P251-T253 PolarHBondContact O-N 3.08Å
252G90.1Very high90.9Very high31 Ų3124 Ų2432%0.3213%0.13SC..THydrogen-bonded Turntrans76.19.3174.900000116.4G418 A419G252-G418 WeakPolarHBondContact O-CA 3.23Å; G252-G418 PolarHBondContact O-N 3.22Å; G252-A419 PolarHBondContact O-N 3.2Å
253T91.5Very high91.1Very high14 Ų1418.6 Ų18.69%0.08611%0.11CC..SBendtrans-902.817755.90000115P250 P251 I379 L381P250-T253 HydrophobicContact CB-CG2 4.45Å; P250-T253 HydrophobicContact CG-CG2 3.79Å; P250-T253 PolarHBondContact O-OG1 2.76Å; P250-T253 VanDerWaalsContact O-OG1 3.05Å; P251-T253 VanDerWaalsContact C-N 3.33Å; P251-T253 PolarHBondContact O-N 3.08Å; T253-I379 WeakPolarHBondContact OG1-CG2 3.42Å; T253-L381 HydrophobicContact CG2-CD2 4.01Å
254G90.4Very high91.6Very high20 Ų2016.9 Ų16.921%0.20610%0.104CC..  trans8624.4175.900000115.7T256 L257 L258G254-T256 VanDerWaalsContact C-N 3.3Å; G254-T256 PolarHBondContact O-N 3.5Å; G254-L257 WeakPolarHBondContact O-CA 3.32Å; G254-L257 WeakPolarHBondContact O-CB 3.4Å; G254-L257 PolarHBondContact O-N 3.45Å; G254-L258 PolarHBondContact O-N 3.23Å
255K92.7Very high91.5Very high11 Ų1120.1 Ų20.15%0.04812%0.12CC..Hα-helixtrans-51-47.3173.1-64.8-174.1-71.7-81.40112.7M247 G249 P250 L257 L258 A259 A358 T359 N360 I379M247-K255 HydrophobicContact CB-CD 4.25Å; M247-K255 HydrophobicContact CB-CG 4.31Å; M247-K255 WeakPolarHBondContact CE-O 3.03Å; G249-K255 PolarHBondContact O-NZ 3.07Å; P250-K255 PolarHBondContact O-NZ 3.03Å; K255-L257 VanDerWaalsContact C-N 3.35Å; K255-L257 PolarHBondContact O-N 3.08Å; K255-L258 PolarHBondContact O-N 3.43Å; K255-A259 PolarHBondContact O-N 3.48Å; K255-A259 VanDerWaalsContact O-N 3.09Å; K255-A358 HydrophobicContact CB-CB 4.03Å; K255-A358 HydrophobicContact CD-CB 4.26Å; K255-T359 WeakPolarHBondContact CE-O 3.4Å; K255-N360 VanDerWaalsContact CE-OD1 3.24Å; K255-N360 WeakPolarHBondContact CE-OD1 3.24Å; K255-N360 PolarHBondContact NZ-OD1 3.46Å; K255-I379 HydrophobicContact CG-CB 4.31Å; K255-I379 HydrophobicContact CG-CG1 4.05Å
256T90.6Very high91.1Very high43 Ų4320.8 Ų20.826%0.26412%0.124SC..Hα-helixtrans-66.9-34176.9-430000112.3G254 K260 F306 D308G254-T256 VanDerWaalsContact C-N 3.3Å; G254-T256 PolarHBondContact O-N 3.5Å; T256-K260 WeakPolarHBondContact O-CG 3.35Å; T256-K260 PolarHBondContact O-N 3.35Å; T256-F306 HydrophobicContact CG2-CE1 3.73Å; T256-F306 HydrophobicContact CG2-CZ 4.27Å; T256-D308 PolarHBondContact OG1-OD2 3.43Å
257L91.3Very high90.7Very high89 Ų8929.2 Ų29.247%0.46616%0.161SC..Hα-helixtrans-68.3-41.6174.6-77.1165.7000111.4V206 I211 G254 K255 A259 K260 A261V206-L257 HydrophobicContact CG1-CD2 4.41Å; V206-L257 HydrophobicContact CG2-CD2 4.33Å; I211-L257 HydrophobicContact CD1-CB 4.35Å; G254-L257 WeakPolarHBondContact O-CA 3.32Å; G254-L257 WeakPolarHBondContact O-CB 3.4Å; G254-L257 PolarHBondContact O-N 3.45Å; K255-L257 VanDerWaalsContact C-N 3.35Å; K255-L257 PolarHBondContact O-N 3.08Å; L257-A259 PolarHBondContact O-N 2.95Å; L257-K260 WeakPolarHBondContact O-CB 3.37Å; L257-K260 PolarHBondContact O-N 2.92Å; L257-A261 PolarHBondContact O-N 2.89Å
258L92.8Very high90.2Very high0 Ų029.5 Ų29.50%016%0.163CC..Hα-helixtrans-59.8-45.4174.3-75.3170.6000111.6W208 I211 L214 K218 L221 M247 G254 K255 K260 A261 V262 I379W208-L258 HydrophobicContact CZ3-CD2 3.85Å; I211-L258 HydrophobicContact CD1-CD2 3.8Å; I211-L258 HydrophobicContact CD1-CG 4.25Å; I211-L258 HydrophobicContact CG2-CD2 4.17Å; L214-L258 HydrophobicContact CD1-CD1 4Å; L214-L258 HydrophobicContact CD1-CD2 4.46Å; L214-L258 HydrophobicContact CD1-CG 4.42Å; K218-L258 HydrophobicContact CG-CD2 4.19Å; L221-L258 HydrophobicContact CD1-CB 4.1Å; L221-L258 HydrophobicContact CD1-CD1 4.34Å; L221-L258 HydrophobicContact CD1-CD2 4.27Å; M247-L258 HydrophobicContact SD-CB 4.03Å; M247-L258 HydrophobicContact SD-CD1 4.35Å; G254-L258 PolarHBondContact O-N 3.23Å; K255-L258 PolarHBondContact O-N 3.43Å; L258-K260 VanDerWaalsContact C-N 3.31Å; L258-K260 PolarHBondContact O-N 2.83Å; L258-A261 PolarHBondContact O-N 2.94Å; L258-V262 WeakPolarHBondContact O-CG2 3.47Å; L258-V262 PolarHBondContact O-N 3.27Å; L258-I379 HydrophobicContact CD1-CD1 3.57Å; L258-I379 HydrophobicContact CD1-CG1 4.17Å; L258-I379 HydrophobicContact CD1-CG2 4.35Å
259A91.9Very high89.9Confident1 Ų131 Ų311%0.00817%0.172CC..Hα-helixtrans-59.6-41.5176.500000112.4M247 K255 L257 V262 A263 F270 F306 L356M247-A259 HydrophobicContact CE-CB 3.96Å; K255-A259 PolarHBondContact O-N 3.48Å; K255-A259 VanDerWaalsContact O-N 3.09Å; L257-A259 PolarHBondContact O-N 2.95Å; A259-V262 PolarHBondContact O-N 3.23Å; A259-A263 PolarHBondContact O-N 3.43Å; A259-A263 VanDerWaalsContact O-N 3.11Å; A259-F270 HydrophobicContact CB-CE2 4.12Å; A259-F270 HydrophobicContact CB-CZ 4.16Å; A259-F306 HydrophobicContact CB-CB 4.39Å; A259-F306 HydrophobicContact CB-CD1 4.3Å; A259-F306 HydrophobicContact CB-CD2 3.35Å; A259-F306 HydrophobicContact CB-CE1 4.48Å; A259-F306 HydrophobicContact CB-CE2 3.58Å; A259-F306 HydrophobicContact CB-CG 3.75Å; A259-F306 HydrophobicContact CB-CZ 4.15Å; A259-L356 HydrophobicContact CB-CD1 4.13Å
260K90.9Very high89.8Confident65 Ų6531.1 Ų31.128%0.28317%0.172SC..Hα-helixtrans-65-39.4175.4-74.5176.3178.6-176.30112.5P204 V206 T256 L257 L258 A263 T264 F270P204-K260 HydrophobicContact CB-CB 3.72Å; P204-K260 HydrophobicContact CB-CD 3.89Å; P204-K260 HydrophobicContact CB-CG 3.62Å; P204-K260 HydrophobicContact CG-CB 3.71Å; P204-K260 HydrophobicContact CG-CG 3.92Å; P204-K260 WeakPolarHBondContact CG-O 3.46Å; V206-K260 HydrophobicContact CB-CB 4.19Å; V206-K260 HydrophobicContact CG2-CB 3.96Å; V206-K260 HydrophobicContact CG2-CD 4.39Å; T256-K260 WeakPolarHBondContact O-CG 3.35Å; T256-K260 PolarHBondContact O-N 3.35Å; L257-K260 WeakPolarHBondContact O-CB 3.37Å; L257-K260 PolarHBondContact O-N 2.92Å; L258-K260 VanDerWaalsContact C-N 3.31Å; L258-K260 PolarHBondContact O-N 2.83Å; K260-A263 PolarHBondContact O-N 3.38Å; K260-T264 PolarHBondContact O-N 3.42Å; K260-T264 PolarHBondContact O-OG1 3.39Å; K260-F270 HydrophobicContact CG-CE1 3.97Å; K260-F270 HydrophobicContact CG-CZ 4.06Å
261A91.2Very high89.7Confident0 Ų031.1 Ų31.10%017%0.172CC..Hα-helixtrans-64.2-42.9175.600000111.9V206 W208 I211 L257 L258 A263 T264 E265V206-A261 HydrophobicContact CG1-CB 4.12Å; V206-A261 WeakPolarHBondContact O-CA 3.47Å; W208-A261 HydrophobicContact CD2-CB 4.32Å; W208-A261 HydrophobicContact CE3-CB 4.01Å; W208-A261 HydrophobicContact CZ3-CB 4.14Å; I211-A261 HydrophobicContact CD1-CB 3.61Å; L257-A261 PolarHBondContact O-N 2.89Å; L258-A261 PolarHBondContact O-N 2.94Å; A261-A263 VanDerWaalsContact C-N 3.34Å; A261-A263 PolarHBondContact O-N 3.18Å; A261-T264 PolarHBondContact O-N 2.92Å; A261-E265 WeakPolarHBondContact O-CB 3.48Å; A261-E265 WeakPolarHBondContact O-CG 3.38Å; A261-E265 PolarHBondContact O-N 3.36Å
262V90Very high89.7Confident0 Ų031 Ų310%017%0.169CC..Hα-helixtrans-56.5-48.1174.1172.40000111.1W208 L221 V225 L258 A259 T264 E265 C266 M354 L356W208-V262 HydrophobicContact CH2-CG2 3.42Å; W208-V262 VanDerWaalsContact CH2-CG2 3.42Å; W208-V262 HydrophobicContact CZ2-CG2 3.8Å; W208-V262 HydrophobicContact CZ3-CG2 4.49Å; L221-V262 HydrophobicContact CB-CG2 4.26Å; L221-V262 HydrophobicContact CD1-CG2 4.22Å; L221-V262 HydrophobicContact CD2-CG2 4.41Å; V225-V262 HydrophobicContact CB-CG1 4.06Å; V225-V262 HydrophobicContact CG1-CG1 3.56Å; V225-V262 HydrophobicContact CG2-CG1 4.15Å; L258-V262 WeakPolarHBondContact O-CG2 3.47Å; L258-V262 PolarHBondContact O-N 3.27Å; A259-V262 PolarHBondContact O-N 3.23Å; V262-T264 PolarHBondContact O-N 3.08Å; V262-E265 PolarHBondContact O-N 3.42Å; V262-C266 WeakPolarHBondContact O-CB 3.3Å; V262-C266 PolarHBondContact O-N 3.45Å; V262-C266 PolarHBondContact O-SG 3.23Å; V262-C266 VanDerWaalsContact O-SG 3.4Å; V262-M354 HydrophobicContact CG1-CE 4.02Å; V262-L356 HydrophobicContact CB-CD1 4.31Å; V262-L356 HydrophobicContact CG1-CD1 4.14Å
263A89Confident89.6Confident0 Ų029.6 Ų29.60%015%0.154CC..Hα-helixtrans-64.3-40.1-179.400000113.1P204 A259 K260 A261 E265 K267 T268 F270P204-A263 HydrophobicContact CG-CB 4.4Å; A259-A263 PolarHBondContact O-N 3.43Å; A259-A263 VanDerWaalsContact O-N 3.11Å; K260-A263 PolarHBondContact O-N 3.38Å; A261-A263 VanDerWaalsContact C-N 3.34Å; A261-A263 PolarHBondContact O-N 3.18Å; A263-E265 VanDerWaalsContact C-N 3.33Å; A263-E265 PolarHBondContact O-N 3.37Å; A263-K267 WeakPolarHBondContact O-CA 3.49Å; A263-K267 PolarHBondContact O-N 3.29Å; A263-T268 PolarHBondContact O-N 3.02Å; A263-T268 VanDerWaalsContact O-N 3.16Å; A263-F270 HydrophobicContact CB-CB 3.81Å; A263-F270 HydrophobicContact CB-CD2 3.42Å; A263-F270 VanDerWaalsContact CB-CD2 3.42Å; A263-F270 HydrophobicContact CB-CE2 4.21Å; A263-F270 HydrophobicContact CB-CG 3.87Å
264T88.6Confident89.2Confident24 Ų2430.8 Ų30.815%0.14716%0.162CC..Hα-helixtrans-64.4-39.2178.1-55.10000111.6V206 K260 A261 V262 K267V206-T264 PolarHBondContact N-OG1 2.78Å; V206-T264 WeakPolarHBondContact O-CB 3.49Å; V206-T264 WeakPolarHBondContact O-CG2 3.42Å; V206-T264 PolarHBondContact O-OG1 3.49Å; K260-T264 PolarHBondContact O-N 3.42Å; K260-T264 PolarHBondContact O-OG1 3.39Å; A261-T264 PolarHBondContact O-N 2.92Å; V262-T264 PolarHBondContact O-N 3.08Å; T264-K267 PolarHBondContact O-N 3.38Å
265E86.9Confident88.5Confident69 Ų6930.8 Ų30.832%0.32216%0.159SC..Hα-helixtrans-78.7-36.7-176-71.8-87.3170.400112.4W208 A261 V262 A263 K267W208-E265 VanDerWaalsContact CD1-OE1 3.29Å; W208-E265 HydrophobicContact CG-CG 4.25Å; A261-E265 WeakPolarHBondContact O-CB 3.48Å; A261-E265 WeakPolarHBondContact O-CG 3.38Å; A261-E265 PolarHBondContact O-N 3.36Å; V262-E265 PolarHBondContact O-N 3.42Å; A263-E265 VanDerWaalsContact C-N 3.33Å; A263-E265 PolarHBondContact O-N 3.37Å; E265-K267 VanDerWaalsContact C-N 3.26Å; E265-K267 PolarHBondContact O-N 3.48Å
266C84Confident87.5Confident13 Ų1333 Ų339%0.08818%0.177CC..Hα-helixtrans-76.7-12.8172.4-68.30000113.1M229 V262 T268M229-C266 HydrophobicContact CE-CB 4.31Å; M229-C266 HydrophobicContact SD-CB 3.57Å; M229-C266 VanDerWaalsContact SD-CB 3.57Å; M229-C266 VanDerWaalsContact SD-SG 3.68Å; V262-C266 WeakPolarHBondContact O-CB 3.3Å; V262-C266 PolarHBondContact O-N 3.45Å; V262-C266 PolarHBondContact O-SG 3.23Å; V262-C266 VanDerWaalsContact O-SG 3.4Å; C266-T268 HydrophobicContact CB-CG2 3.68Å; C266-T268 PolarHBondContact O-N 3.29Å
267K85.2Confident86.8Confident177 Ų17731.7 Ų31.777%0.7717%0.168SC*.THydrogen-bonded Turntrans51.842.2-172.4-58.5179.6-179.6177.60112A263 T264 E265A263-K267 WeakPolarHBondContact O-CA 3.49Å; A263-K267 PolarHBondContact O-N 3.29Å; T264-K267 PolarHBondContact O-N 3.38Å; E265-K267 VanDerWaalsContact C-N 3.26Å; E265-K267 PolarHBondContact O-N 3.48Å
268T84.7Confident85.9Confident7 Ų727.7 Ų27.74%0.04315%0.147CC..  trans-98.5155.8-17952.90000111M229 A263 C266 F270 P302 T304M229-T268 HydrophobicContact CE-CG2 3.97Å; M229-T268 HydrophobicContact SD-CG2 4.2Å; A263-T268 PolarHBondContact O-N 3.02Å; A263-T268 VanDerWaalsContact O-N 3.16Å; C266-T268 HydrophobicContact CB-CG2 3.68Å; C266-T268 PolarHBondContact O-N 3.29Å; T268-F270 PolarHBondContact O-N 3.36Å; T268-P302 WeakPolarHBondContact CA-O 3.41Å; T268-P302 WeakPolarHBondContact CB-O 3.5Å; T268-P302 HydrophobicContact CG2-CB 3.89Å; T268-P302 HydrophobicContact CG2-CG 4.14Å; T268-T304 PolarHBondContact OG1-OG1 3.27Å
269T87.5Confident84.7Confident32 Ų3231.2 Ų31.220%0.19617%0.169CC..EExtended strand (participates in β ladder)trans-66.9122.8170.852.80000109.4F271 Y300 P302 A303 T304T269-F271 WeakPolarHBondContact OG1-CE2 3.4Å; T269-Y300 PolarHBondContact OG1-O 3.27Å; T269-P302 PolarHBondContact N-O 2.83Å; T269-P302 VanDerWaalsContact N-O 3.11Å; T269-P302 PolarHBondContact OG1-O 2.91Å; T269-A303 WeakPolarHBondContact OG1-CA 3.42Å; T269-A303 VanDerWaalsContact OG1-CB 3.29Å; T269-A303 WeakPolarHBondContact OG1-CB 3.43Å; T269-T304 PolarHBondContact O-N 2.95Å
270F91.3Very high83.2Confident1 Ų134.4 Ų34.40%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-97.7113.6-176.7-172.4-111.9000110.7S201 A259 K260 A263 T268 N272 T304 F306S201-F270 PolarHBondContact N-O 3.22Å; A259-F270 HydrophobicContact CB-CE2 4.12Å; A259-F270 HydrophobicContact CB-CZ 4.16Å; K260-F270 HydrophobicContact CG-CE1 3.97Å; K260-F270 HydrophobicContact CG-CZ 4.06Å; A263-F270 HydrophobicContact CB-CB 3.81Å; A263-F270 HydrophobicContact CB-CD2 3.42Å; A263-F270 VanDerWaalsContact CB-CD2 3.42Å; A263-F270 HydrophobicContact CB-CE2 4.21Å; A263-F270 HydrophobicContact CB-CG 3.87Å; T268-F270 PolarHBondContact O-N 3.36Å; F270-N272 HydrophobicContact CD1-CB 4.14Å; F270-N272 HydrophobicContact CE1-CB 3.73Å; F270-T304 HydrophobicContact CD2-CG2 4.16Å; F270-T304 HydrophobicContact CE2-CG2 4.39Å; F270-F306 HydrophobicContact CD2-CB 4.42Å; F270-F306 HydrophobicContact CE1-CB 4.4Å; F270-F306 HydrophobicContact CE2-CB 3.42Å; F270-F306 VanDerWaalsContact CE2-CB 3.42Å; F270-F306 HydrophobicContact CE2-CG 4.13Å; F270-F306 HydrophobicContact CZ-CB 3.41Å; F270-F306 VanDerWaalsContact CZ-CB 3.41Å; F270-F306 AromaticContact CZ-CD1 3.82Å; F270-F306 HydrophobicContact CZ-CD1 3.82Å; F270-F306 AromaticContact CZ-CG 3.78Å; F270-F306 HydrophobicContact CZ-CG 3.78Å
271F91.1Very high81.8Confident1 Ų136.5 Ų36.50%0.00420%0.201CC..EExtended strand (participates in β ladder)trans-96.7105.7173.7-66.5-96.4000109.3I199 I200 T269 L293 M296 A297 Y300 A303 T304 I305 F306I199-F271 HydrophobicContact CG2-CB 3.57Å; I199-F271 HydrophobicContact CG2-CD1 3.79Å; I199-F271 HydrophobicContact CG2-CG 4.16Å; I199-F271 CarbonylContact O-C 3.59Å; I199-F271 WeakPolarHBondContact O-CA 3.38Å; I200-F271 HydrophobicContact CD1-CE1 3.81Å; I200-F271 HydrophobicContact CD1-CZ 4.24Å; I200-F271 HydrophobicContact CG1-CD1 3.88Å; I200-F271 HydrophobicContact CG1-CE1 3.57Å; I200-F271 HydrophobicContact CG1-CZ 4.24Å; T269-F271 WeakPolarHBondContact OG1-CE2 3.4Å; F271-L293 HydrophobicContact CB-CD1 4.2Å; F271-L293 HydrophobicContact CD1-CD1 3.77Å; F271-L293 HydrophobicContact CG-CD1 4.25Å; F271-M296 HydrophobicContact CE1-CB 4.14Å; F271-M296 HydrophobicContact CZ-CB 4.41Å; F271-A297 HydrophobicContact CD2-CB 4.23Å; F271-A297 HydrophobicContact CE2-CB 3.91Å; F271-A297 HydrophobicContact CZ-CB 4.18Å; F271-Y300 AromaticContact CZ-CD2 3.94Å; F271-Y300 HydrophobicContact CZ-CD2 3.94Å; F271-Y300 HydrophobicContact CZ-CG 4.43Å; F271-A303 HydrophobicContact CD2-CB 4.22Å; F271-A303 HydrophobicContact CE2-CB 3.77Å; F271-T304 PolarHBondContact N-O 3.2Å; F271-I305 HydrophobicContact CB-CB 4.47Å; F271-I305 HydrophobicContact CB-CG1 4.16Å; F271-I305 HydrophobicContact CD2-CG1 4.36Å; F271-I305 HydrophobicContact CG-CG1 4.42Å; F271-F306 PolarHBondContact O-N 3.23Å
272N91Very high80.4Confident54 Ų5438.8 Ų38.829%0.28921%0.21SC..EExtended strand (participates in β ladder)trans-91.3100.2177.7-172.417.1000111.2I199 F270 F306I199-N272 PolarHBondContact O-N 2.96Å; F270-N272 HydrophobicContact CD1-CB 4.14Å; F270-N272 HydrophobicContact CE1-CB 3.73Å; N272-F306 WeakPolarHBondContact OD1-CD1 3.09Å
273V88.6Confident78.9Confident0 Ų050 Ų500%025%0.252CS..EExtended strand (participates in β ladder)trans-101.3115.1-176.7-171.60000109.3I199 L278 L293 I305 F306 I307 D308I199-V273 HydrophobicContact CD1-CG2 4.23Å; I199-V273 HydrophobicContact CG2-CG2 3.93Å; V273-L278 HydrophobicContact CG1-CD1 3.89Å; V273-L278 HydrophobicContact CG1-CD2 3.93Å; V273-L278 HydrophobicContact CG1-CG 3.8Å; V273-L293 HydrophobicContact CG1-CD2 4.43Å; V273-L293 HydrophobicContact CG2-CD1 4Å; V273-L293 HydrophobicContact CG2-CD2 3.64Å; V273-L293 HydrophobicContact CG2-CG 4.48Å; V273-I305 HydrophobicContact CG2-CG2 3.95Å; V273-F306 WeakPolarHBondContact CB-O 3.41Å; V273-F306 PolarHBondContact N-O 3.43Å; V273-I307 HydrophobicContact CB-CG1 4.31Å; V273-I307 WeakPolarHBondContact O-CA 3.5Å; V273-D308 PolarHBondContact O-N 2.76Å
274S83.2Confident77.9Confident39 Ų3953 Ų5327%0.27328%0.282SS..  trans-96.3151.5168.51770000110.4S276 T277S274-S276 PolarHBondContact O-N 2.98Å; S274-S276 PolarHBondContact OG-OG 3.23Å; S274-S276 VanDerWaalsContact OG-OG 3.04Å; S274-T277 WeakPolarHBondContact O-CB 3.46Å; S274-T277 PolarHBondContact O-N 3.15Å
275S74.9Confident77.4Confident20 Ų2054.2 Ų54.214%0.1429%0.286CS..Hα-helixtrans-52.7-36.3172.762.80000113.6T277 L278 T279 S312S275-T277 VanDerWaalsContact C-N 3.34Å; S275-T277 PolarHBondContact O-N 3.07Å; S275-L278 PolarHBondContact O-N 2.68Å; S275-T279 PolarHBondContact O-N 3.3Å; S275-T279 PolarHBondContact O-OG1 3.03Å; S275-S312 WeakPolarHBondContact CB-OG 3.42Å
276S73Confident77.1Confident59 Ų5951.4 Ų51.441%0.41327%0.274SS..Hα-helixtrans-62.6-38.8177.260.40000112.4S274 L278 S280S274-S276 PolarHBondContact O-N 2.98Å; S274-S276 PolarHBondContact OG-OG 3.23Å; S274-S276 VanDerWaalsContact OG-OG 3.04Å; S276-L278 VanDerWaalsContact C-N 3.33Å; S276-L278 PolarHBondContact O-N 3.22Å; S276-S280 WeakPolarHBondContact O-CB 3.36Å; S276-S280 PolarHBondContact O-N 3.46Å; S276-S280 VanDerWaalsContact O-N 3.1Å; S276-S280 PolarHBondContact O-OG 2.88Å
277T75.1Confident77Confident14 Ų1453.8 Ų53.89%0.08628%0.284CS..Hα-helixtrans-66-36.6-179.8-49.30000111.7I199 S274 S275 L289I199-T277 HydrophobicContact CD1-CG2 3.79Å; I199-T277 HydrophobicContact CG1-CG2 4.06Å; S274-T277 WeakPolarHBondContact O-CB 3.46Å; S274-T277 PolarHBondContact O-N 3.15Å; S275-T277 VanDerWaalsContact C-N 3.34Å; S275-T277 PolarHBondContact O-N 3.07Å; T277-L289 WeakPolarHBondContact O-CD2 3.39Å
278L73Confident76.9Confident5 Ų549.4 Ų49.43%0.02627%0.265CS..Hα-helixtrans-80.3-28.5-178.4-62.4-177.1000113.9V273 S275 S276 S286 L289 V290 I313 V329V273-L278 HydrophobicContact CG1-CD1 3.89Å; V273-L278 HydrophobicContact CG1-CD2 3.93Å; V273-L278 HydrophobicContact CG1-CG 3.8Å; S275-L278 PolarHBondContact O-N 2.68Å; S276-L278 VanDerWaalsContact C-N 3.33Å; S276-L278 PolarHBondContact O-N 3.22Å; L278-S286 VanDerWaalsContact O-CB 3.24Å; L278-S286 WeakPolarHBondContact O-CB 3.2Å; L278-L289 HydrophobicContact CD2-CD2 3.86Å; L278-V290 HydrophobicContact CD2-CG2 4.2Å; L278-I313 HydrophobicContact CD1-CD1 3.63Å; L278-I313 HydrophobicContact CD1-CG1 4.37Å; L278-V329 HydrophobicContact CD1-CG1 4.2Å
279T67.7Low76.9Confident74 Ų7449.2 Ų49.245%0.45426%0.264SS..Hα-helixtrans-105-34.5-168.854.50000114.5S275S275-T279 PolarHBondContact O-N 3.3Å; S275-T279 PolarHBondContact O-OG1 3.03Å
280S60.6Low77Confident69 Ų6947.8 Ų47.848%0.48326%0.255SS..THydrogen-bonded Turntrans-96.2-37-162.3690000115.1S276S276-S280 WeakPolarHBondContact O-CB 3.36Å; S276-S280 PolarHBondContact O-N 3.46Å; S276-S280 VanDerWaalsContact O-N 3.1Å; S276-S280 PolarHBondContact O-OG 2.88Å
281K61.9Low76.8Confident109 Ų10951.8 Ų51.847%0.47427%0.27SS..SBendtrans-82.4-26.1-169.1-66.1-172.1-178.2-175.30114D198D198-K281 IonicContact OD1-NZ 3.25Å; D198-K281 IonicContact OD2-NZ 3.91Å; D198-K281 PolarHBondContact OD2-NZ 3.14Å
282Y61.3Low76.6Confident48 Ų4851.8 Ų51.819%0.18827%0.27CS..  trans-134.669.2-167.4-53-67.3000112.2L191 A194 G284 E285 S286 L289L191-Y282 HydrophobicContact CD2-CD1 3.26Å; L191-Y282 HydrophobicContact CD2-CD2 4.21Å; L191-Y282 HydrophobicContact CD2-CE1 3.1Å; L191-Y282 HydrophobicContact CD2-CE2 4.05Å; L191-Y282 HydrophobicContact CD2-CG 3.83Å; A194-Y282 WeakPolarHBondContact CB-OH 3.24Å; Y282-G284 PolarHBondContact O-N 3.49Å; Y282-E285 PolarHBondContact O-N 3.03Å; Y282-S286 PolarHBondContact O-N 3.04Å; Y282-L289 HydrophobicContact CD2-CD1 3.9Å; Y282-L289 HydrophobicContact CD2-CD2 4.12Å; Y282-L289 HydrophobicContact CE2-CD1 4.02Å
283R58.7Low76.5Confident236 Ų23649.4 Ų49.489%0.89126%0.257SS*.THydrogen-bonded Turntrans-57.9113.1177.8-79.4-169.3167.8101-1.1110.3
284G68.5Low76.5Confident61 Ų6149.4 Ų49.463%0.62926%0.257SS*.THydrogen-bonded Turntrans99.4-10.317900000115Y282Y282-G284 PolarHBondContact O-N 3.49Å
285E76.7Confident76.7Confident50 Ų5050.8 Ų50.823%0.23426%0.259CS..THydrogen-bonded Turntrans-118.48-178.4-52.6-161.312200113.4Y282 E287 K288 L289Y282-E285 PolarHBondContact O-N 3.03Å; E285-E287 PolarHBondContact O-N 3.16Å; E285-K288 HydrophobicContact CB-CD 4.39Å; E285-K288 WeakPolarHBondContact O-CB 3.17Å; E285-K288 PolarHBondContact O-N 3.24Å; E285-K288 IonicContact OE1-NZ 2.79Å; E285-K288 PolarHBondContact OE1-NZ 3.38Å; E285-L289 PolarHBondContact O-N 3.44Å
286S79.9Confident77.3Confident11 Ų1150 Ų508%0.07725%0.253CS..Hα-helixtrans-59.9-31-177.358.90000113.4L278 Y282 L289 V290 V329L278-S286 VanDerWaalsContact O-CB 3.24Å; L278-S286 WeakPolarHBondContact O-CB 3.2Å; Y282-S286 PolarHBondContact O-N 3.04Å; S286-L289 WeakPolarHBondContact O-CB 3.49Å; S286-V290 WeakPolarHBondContact O-CG2 3.45Å; S286-V290 PolarHBondContact O-N 3.04Å; S286-V329 WeakPolarHBondContact OG-CG2 3.41Å
287E82.5Confident78Confident63 Ų6347.1 Ų47.129%0.29423%0.234SC..Hα-helixtrans-69.8-39.9172.161.3174.6-135.500112.9E285 L289 V290 R291 E332E285-E287 PolarHBondContact O-N 3.16Å; E287-L289 VanDerWaalsContact C-N 3.26Å; E287-L289 PolarHBondContact O-N 2.98Å; E287-V290 PolarHBondContact O-N 3.46Å; E287-R291 PolarHBondContact O-N 3.43Å; E287-R291 VanDerWaalsContact O-N 3.1Å; E287-R291 IonicContact OE1-NH1 3.81Å; E287-E332 HydrophobicContact CB-CB 4.42Å
288K84.4Confident78.5Confident85 Ų8551.1 Ų51.137%0.3725%0.247SC..Hα-helixtrans-64.2-38.3176-62.9-179.9-174.5170.20110E285 V290 R291 L292E285-K288 HydrophobicContact CB-CD 4.39Å; E285-K288 WeakPolarHBondContact O-CB 3.17Å; E285-K288 PolarHBondContact O-N 3.24Å; E285-K288 IonicContact OE1-NZ 2.79Å; E285-K288 PolarHBondContact OE1-NZ 3.38Å; K288-V290 PolarHBondContact O-N 3.3Å; K288-R291 WeakPolarHBondContact O-CB 3.26Å; K288-R291 PolarHBondContact O-N 3.16Å; K288-L292 VanDerWaalsContact O-CB 3.31Å; K288-L292 WeakPolarHBondContact O-CB 3.3Å; K288-L292 PolarHBondContact O-N 3.36Å
289L85Confident79.1Confident3 Ų355.2 Ų55.22%0.01627%0.265CS..Hα-helixtrans-60.9-42.8177.1-161.979.3000112L195 T277 L278 Y282 E285 S286 E287 L292 L293L195-L289 HydrophobicContact CD1-CD1 3.72Å; L195-L289 HydrophobicContact CD1-CG 4.27Å; L195-L289 HydrophobicContact CD2-CD1 3.58Å; L195-L289 HydrophobicContact CD2-CD2 4.35Å; L195-L289 HydrophobicContact CD2-CG 3.93Å; L195-L289 HydrophobicContact CG-CD1 3.71Å; L195-L289 HydrophobicContact CG-CG 4.47Å; T277-L289 WeakPolarHBondContact O-CD2 3.39Å; L278-L289 HydrophobicContact CD2-CD2 3.86Å; Y282-L289 HydrophobicContact CD2-CD1 3.9Å; Y282-L289 HydrophobicContact CD2-CD2 4.12Å; Y282-L289 HydrophobicContact CE2-CD1 4.02Å; E285-L289 PolarHBondContact O-N 3.44Å; S286-L289 WeakPolarHBondContact O-CB 3.49Å; E287-L289 VanDerWaalsContact C-N 3.26Å; E287-L289 PolarHBondContact O-N 2.98Å; L289-L292 PolarHBondContact O-N 3.47Å; L289-L293 VanDerWaalsContact O-CB 3.31Å; L289-L293 WeakPolarHBondContact O-CB 3.43Å; L289-L293 PolarHBondContact O-N 2.87Å
290V88.1Confident79.9Confident1 Ų154 Ų541%0.00625%0.252CS..Hα-helixtrans-65-43.1175.4176.10000110.9L278 S286 E287 K288 L293 F294 V329 E332 L333 Q336L278-V290 HydrophobicContact CD2-CG2 4.2Å; S286-V290 WeakPolarHBondContact O-CG2 3.45Å; S286-V290 PolarHBondContact O-N 3.04Å; E287-V290 PolarHBondContact O-N 3.46Å; K288-V290 PolarHBondContact O-N 3.3Å; V290-L293 PolarHBondContact O-N 3.5Å; V290-F294 HydrophobicContact CG1-CD2 4.15Å; V290-F294 HydrophobicContact CG1-CE2 4.18Å; V290-F294 WeakPolarHBondContact O-CD2 3.09Å; V290-F294 PolarHBondContact O-N 3.38Å; V290-V329 HydrophobicContact CG2-CG1 3.91Å; V290-E332 HydrophobicContact CB-CB 4.48Å; V290-E332 HydrophobicContact CB-CG 4.04Å; V290-E332 HydrophobicContact CG1-CB 4.36Å; V290-E332 HydrophobicContact CG1-CG 3.96Å; V290-L333 HydrophobicContact CG1-CB 4.28Å; V290-L333 HydrophobicContact CG1-CD1 4.43Å; V290-Q336 HydrophobicContact CG1-CG 4.27Å
291R87.8Confident80.9Confident85 Ų8552 Ų5232%0.32124%0.238SC..Hα-helixtrans-58.5-50.9174.7-70.7-176.6-171.1134.512.9111.6E287 K288 L293 F294 E295 E332E287-R291 PolarHBondContact O-N 3.43Å; E287-R291 VanDerWaalsContact O-N 3.1Å; E287-R291 IonicContact OE1-NH1 3.81Å; K288-R291 WeakPolarHBondContact O-CB 3.26Å; K288-R291 PolarHBondContact O-N 3.16Å; R291-L293 VanDerWaalsContact C-N 3.35Å; R291-L293 PolarHBondContact O-N 3.41Å; R291-F294 PolarHBondContact O-N 3.25Å; R291-E295 WeakPolarHBondContact O-CG 3.44Å; R291-E295 PolarHBondContact O-N 3.37Å; R291-E332 HydrophobicContact CG-CG 3.94Å; R291-E332 WeakPolarHBondContact CG-OE1 3.41Å; R291-E332 IonicContact CZ-OE1 2.66Å; R291-E332 IonicContact CZ-OE2 2.96Å; R291-E332 IonicContact NE-OE1 3.29Å; R291-E332 PolarHBondContact NE-OE1 2.95Å; R291-E332 IonicContact NE-OE2 3.49Å; R291-E332 PolarHBondContact NE-OE2 3.4Å; R291-E332 VanDerWaalsContact NE-OE2 3.16Å; R291-E332 IonicContact NH2-OE1 2.79Å; R291-E332 IonicContact NH2-OE2 2.66Å; R291-E332 PolarHBondContact NH2-OE2 2.9Å
292L87.3Confident81.9Confident1 Ų149 Ų491%0.00523%0.23CC..Hα-helixtrans-59.4-44.3179.8179.456.3000111.7F182 Y187 L191 V192 L195 K288 L289 F294 E295 M296F182-L292 HydrophobicContact CD1-CD1 4.39Å; F182-L292 HydrophobicContact CE1-CD1 3.52Å; F182-L292 HydrophobicContact CZ-CD1 3.94Å; Y187-L292 HydrophobicContact CD1-CB 3.93Å; Y187-L292 HydrophobicContact CD1-CD1 4.08Å; Y187-L292 HydrophobicContact CD1-CD2 4.03Å; Y187-L292 HydrophobicContact CD1-CG 4.23Å; Y187-L292 HydrophobicContact CD2-CD1 3.79Å; Y187-L292 HydrophobicContact CE1-CB 3.78Å; Y187-L292 HydrophobicContact CE1-CD1 4.34Å; Y187-L292 HydrophobicContact CE1-CG 4.49Å; Y187-L292 HydrophobicContact CE2-CD1 4.08Å; Y187-L292 HydrophobicContact CG-CD1 3.79Å; Y187-L292 HydrophobicContact CG-CD2 4.17Å; Y187-L292 HydrophobicContact CG-CG 4.37Å; L191-L292 HydrophobicContact CB-CD2 4.31Å; V192-L292 HydrophobicContact CG2-CD1 4.07Å; V192-L292 HydrophobicContact CG2-CD2 3.84Å; L195-L292 HydrophobicContact CD1-CB 4.16Å; L195-L292 HydrophobicContact CD1-CD2 3.49Å; L195-L292 VanDerWaalsContact CD1-CD2 3.49Å; L195-L292 HydrophobicContact CD1-CG 3.63Å; K288-L292 VanDerWaalsContact O-CB 3.31Å; K288-L292 WeakPolarHBondContact O-CB 3.3Å; K288-L292 PolarHBondContact O-N 3.36Å; L289-L292 PolarHBondContact O-N 3.47Å; L292-F294 VanDerWaalsContact C-N 3.34Å; L292-F294 PolarHBondContact O-N 3.19Å; L292-E295 PolarHBondContact O-N 3.26Å; L292-M296 HydrophobicContact CD1-CG 3.95Å; L292-M296 HydrophobicContact CD1-SD 4.04Å; L292-M296 HydrophobicContact CG-CG 4.34Å; L292-M296 HydrophobicContact CG-SD 3.91Å; L292-M296 WeakPolarHBondContact O-CB 3.45Å; L292-M296 VanDerWaalsContact O-CG 3.25Å; L292-M296 WeakPolarHBondContact O-CG 3.47Å; L292-M296 PolarHBondContact O-N 3.34Å
293L89Confident83.1Confident5 Ų546.9 Ų46.93%0.02622%0.222CC..Hα-helixtrans-54.6-47.9175.4170.968.5000112I199 F271 V273 L289 V290 R291 A297 I305I199-L293 HydrophobicContact CD1-CD1 4.25Å; I199-L293 HydrophobicContact CG2-CD1 4.03Å; F271-L293 HydrophobicContact CB-CD1 4.2Å; F271-L293 HydrophobicContact CD1-CD1 3.77Å; F271-L293 HydrophobicContact CG-CD1 4.25Å; V273-L293 HydrophobicContact CG1-CD2 4.43Å; V273-L293 HydrophobicContact CG2-CD1 4Å; V273-L293 HydrophobicContact CG2-CD2 3.64Å; V273-L293 HydrophobicContact CG2-CG 4.48Å; L289-L293 VanDerWaalsContact O-CB 3.31Å; L289-L293 WeakPolarHBondContact O-CB 3.43Å; L289-L293 PolarHBondContact O-N 2.87Å; V290-L293 PolarHBondContact O-N 3.5Å; R291-L293 VanDerWaalsContact C-N 3.35Å; R291-L293 PolarHBondContact O-N 3.41Å; L293-A297 WeakPolarHBondContact O-CB 3.44Å; L293-A297 PolarHBondContact O-N 2.86Å; L293-I305 HydrophobicContact CD2-CG2 4.33Å
294F89.1Confident84.6Confident0 Ų035.7 Ų35.70%018%0.18CC..Hα-helixtrans-71.9-33.5180-85.1-95.3000112.5V290 R291 L292 A297 R298 I305 L333 Q336 M337 V340 V355V290-F294 HydrophobicContact CG1-CD2 4.15Å; V290-F294 HydrophobicContact CG1-CE2 4.18Å; V290-F294 WeakPolarHBondContact O-CD2 3.09Å; V290-F294 PolarHBondContact O-N 3.38Å; R291-F294 PolarHBondContact O-N 3.25Å; L292-F294 VanDerWaalsContact C-N 3.34Å; L292-F294 PolarHBondContact O-N 3.19Å; F294-A297 PolarHBondContact O-N 2.63Å; F294-R298 VanDerWaalsContact O-CG 3.27Å; F294-R298 WeakPolarHBondContact O-CG 3.39Å; F294-R298 PolarHBondContact O-N 3.33Å; F294-I305 HydrophobicContact CD1-CD1 3.91Å; F294-I305 HydrophobicContact CD2-CD1 4.47Å; F294-I305 HydrophobicContact CE1-CD1 3.83Å; F294-I305 HydrophobicContact CE2-CD1 4.4Å; F294-I305 HydrophobicContact CG-CD1 4.25Å; F294-I305 HydrophobicContact CZ-CD1 4.09Å; F294-L333 HydrophobicContact CE2-CD1 3.65Å; F294-L333 HydrophobicContact CZ-CD1 3.89Å; F294-Q336 HydrophobicContact CB-CB 4.24Å; F294-Q336 HydrophobicContact CB-CG 4.26Å; F294-Q336 HydrophobicContact CD1-CB 3.83Å; F294-Q336 HydrophobicContact CD2-CB 3.57Å; F294-Q336 HydrophobicContact CD2-CG 3.94Å; F294-Q336 HydrophobicContact CE1-CB 3.99Å; F294-Q336 HydrophobicContact CE2-CB 3.75Å; F294-Q336 HydrophobicContact CE2-CG 4.47Å; F294-Q336 HydrophobicContact CG-CB 3.6Å; F294-Q336 HydrophobicContact CG-CG 4.07Å; F294-Q336 HydrophobicContact CZ-CB 3.95Å; F294-M337 HydrophobicContact CZ-CG 4.14Å; F294-V340 HydrophobicContact CD1-CG1 3.62Å; F294-V340 HydrophobicContact CE1-CG1 3.59Å; F294-V355 HydrophobicContact CE1-CG2 3.99Å; F294-V355 HydrophobicContact CZ-CG2 4.13Å
295E86.9Confident85.7Confident68 Ų6832.8 Ų32.832%0.31815%0.15SC..Hα-helixtrans-66.2-43.8173.3-74.4178.2-172.800111.9F182 Y187 R291 L292 A297 R298 F299F182-E295 HydrophobicContact CE2-CB 4.28Å; F182-E295 HydrophobicContact CZ-CB 4.02Å; Y187-E295 WeakPolarHBondContact CE2-OE2 3.45Å; Y187-E295 PolarHBondContact OH-OE1 2.97Å; Y187-E295 PolarHBondContact OH-OE2 3.02Å; R291-E295 WeakPolarHBondContact O-CG 3.44Å; R291-E295 PolarHBondContact O-N 3.37Å; L292-E295 PolarHBondContact O-N 3.26Å; E295-A297 PolarHBondContact O-N 3.49Å; E295-R298 PolarHBondContact O-N 3.43Å; E295-F299 PolarHBondContact O-N 3.08Å
296M86.5Confident86.5Confident2 Ų230.4 Ų30.41%0.0114%0.139CC..Hα-helixtrans-61.5-43.7173-70.4174.772.300111.3F182 V192 L195 E196 I200 F271 L292 R298 F299 Y300F182-M296 HydrophobicContact CD1-CG 4.07Å; F182-M296 HydrophobicContact CD2-CB 4.47Å; F182-M296 HydrophobicContact CD2-CG 3.95Å; F182-M296 HydrophobicContact CE1-CG 4.08Å; F182-M296 HydrophobicContact CE2-CB 4.48Å; F182-M296 HydrophobicContact CE2-CG 3.97Å; F182-M296 HydrophobicContact CG-CG 4.01Å; F182-M296 HydrophobicContact CZ-CG 4.03Å; V192-M296 HydrophobicContact CG1-CE 4.3Å; V192-M296 HydrophobicContact CG1-SD 4.34Å; L195-M296 HydrophobicContact CB-CE 4.33Å; L195-M296 HydrophobicContact CB-SD 4.07Å; L195-M296 HydrophobicContact CD1-SD 3.96Å; E196-M296 HydrophobicContact CB-CE 4.4Å; E196-M296 HydrophobicContact CG-CE 3.26Å; I200-M296 HydrophobicContact CD1-CE 3.93Å; F271-M296 HydrophobicContact CE1-CB 4.14Å; F271-M296 HydrophobicContact CZ-CB 4.41Å; L292-M296 HydrophobicContact CD1-CG 3.95Å; L292-M296 HydrophobicContact CD1-SD 4.04Å; L292-M296 HydrophobicContact CG-CG 4.34Å; L292-M296 HydrophobicContact CG-SD 3.91Å; L292-M296 WeakPolarHBondContact O-CB 3.45Å; L292-M296 VanDerWaalsContact O-CG 3.25Å; L292-M296 WeakPolarHBondContact O-CG 3.47Å; L292-M296 PolarHBondContact O-N 3.34Å; M296-R298 VanDerWaalsContact C-N 3.29Å; M296-R298 PolarHBondContact O-N 3.31Å; M296-F299 WeakPolarHBondContact O-CB 3.49Å; M296-F299 PolarHBondContact O-N 2.98Å; M296-F299 VanDerWaalsContact O-N 3.13Å; M296-Y300 HydrophobicContact CB-CD2 4.36Å; M296-Y300 HydrophobicContact CE-CE2 4.24Å; M296-Y300 WeakPolarHBondContact O-CB 3.09Å; M296-Y300 VanDerWaalsContact O-CD2 3.25Å; M296-Y300 WeakPolarHBondContact O-CD2 3.45Å; M296-Y300 PolarHBondContact O-N 2.9Å
297A88Confident87.1Confident0 Ų030 Ų300%014%0.136CC..Hα-helixtrans-63.2-34.9176.800000112.7F271 L293 F294 E295 S301 A303 I305 V353F271-A297 HydrophobicContact CD2-CB 4.23Å; F271-A297 HydrophobicContact CE2-CB 3.91Å; F271-A297 HydrophobicContact CZ-CB 4.18Å; L293-A297 WeakPolarHBondContact O-CB 3.44Å; L293-A297 PolarHBondContact O-N 2.86Å; F294-A297 PolarHBondContact O-N 2.63Å; E295-A297 PolarHBondContact O-N 3.49Å; A297-S301 PolarHBondContact O-N 2.71Å; A297-A303 HydrophobicContact CB-CB 4.02Å; A297-A303 WeakPolarHBondContact O-CB 3.26Å; A297-I305 HydrophobicContact CB-CD1 3.68Å; A297-I305 HydrophobicContact CB-CG1 3.91Å; A297-V353 HydrophobicContact CB-CG1 4.01Å; A297-V353 HydrophobicContact CB-CG2 4.44Å
298R85.4Confident87.5Confident98 Ų9828.6 Ų28.637%0.3713%0.131SC..Hα-helixtrans-69.6-35.8172.8-71.6172.3-166.9146.510.6112F294 E295 M296 S301 V353F294-R298 VanDerWaalsContact O-CG 3.27Å; F294-R298 WeakPolarHBondContact O-CG 3.39Å; F294-R298 PolarHBondContact O-N 3.33Å; E295-R298 PolarHBondContact O-N 3.43Å; M296-R298 VanDerWaalsContact C-N 3.29Å; M296-R298 PolarHBondContact O-N 3.31Å; R298-S301 VanDerWaalsContact O-CB 3.31Å; R298-S301 WeakPolarHBondContact O-CB 3.22Å; R298-V353 HydrophobicContact CG-CG2 3.96Å
299F85.2Confident87.7Confident91 Ų9128.9 Ų28.940%0.39913%0.133SC..Hα-helixtrans-69.9-44.5177.1-179.4-95.4000112.4N180 K181 F182 E295 M296 S301N180-F299 HydrophobicContact CB-CE1 4.26Å; N180-F299 HydrophobicContact CB-CZ 4.22Å; K181-F299 WeakPolarHBondContact O-CZ 3.34Å; F182-F299 HydrophobicContact CB-CD1 4.17Å; F182-F299 HydrophobicContact CB-CE1 4.25Å; F182-F299 HydrophobicContact CD2-CB 3.59Å; F182-F299 AromaticContact CD2-CD1 3.88Å; F182-F299 HydrophobicContact CD2-CD1 3.88Å; F182-F299 HydrophobicContact CD2-CD2 4.14Å; F182-F299 AromaticContact CD2-CG 3.61Å; F182-F299 HydrophobicContact CD2-CG 3.61Å; F182-F299 HydrophobicContact CE2-CB 3.88Å; F182-F299 HydrophobicContact CE2-CG 4.29Å; E295-F299 PolarHBondContact O-N 3.08Å; M296-F299 WeakPolarHBondContact O-CB 3.49Å; M296-F299 PolarHBondContact O-N 2.98Å; M296-F299 VanDerWaalsContact O-N 3.13Å; F299-S301 PolarHBondContact O-N 2.62Å
300Y84.8Confident87.9Confident47 Ų4728.7 Ų28.718%0.18413%0.133CC..THydrogen-bonded Turntrans-8520.9178.4-70.8-64.3000113.4F182 E196 I200 T269 F271 M296F182-Y300 HydrophobicContact CB-CE2 4.33Å; E196-Y300 PolarHBondContact OE1-OH 2.73Å; I200-Y300 HydrophobicContact CD1-CD2 4.14Å; I200-Y300 HydrophobicContact CD1-CE2 3.83Å; T269-Y300 PolarHBondContact OG1-O 3.27Å; F271-Y300 AromaticContact CZ-CD2 3.94Å; F271-Y300 HydrophobicContact CZ-CD2 3.94Å; F271-Y300 HydrophobicContact CZ-CG 4.43Å; M296-Y300 HydrophobicContact CB-CD2 4.36Å; M296-Y300 HydrophobicContact CE-CE2 4.24Å; M296-Y300 WeakPolarHBondContact O-CB 3.09Å; M296-Y300 VanDerWaalsContact O-CD2 3.25Å; M296-Y300 WeakPolarHBondContact O-CD2 3.45Å; M296-Y300 PolarHBondContact O-N 2.9Å
301S81.6Confident87.8Confident27 Ų2729.7 Ų29.719%0.18914%0.138CC..  trans-65.6139.8-176.7-161.90000111.5A297 R298 F299 S350 K351 M352A297-S301 PolarHBondContact O-N 2.71Å; R298-S301 VanDerWaalsContact O-CB 3.31Å; R298-S301 WeakPolarHBondContact O-CB 3.22Å; F299-S301 PolarHBondContact O-N 2.62Å; S301-S350 PolarHBondContact OG-O 3.29Å; S301-S350 VanDerWaalsContact OG-O 3.14Å; S301-K351 WeakPolarHBondContact OG-CA 3.07Å; S301-M352 PolarHBondContact OG-N 3.47Å; S301-M352 VanDerWaalsContact OG-N 3.08Å; S301-M352 PolarHBondContact OG-O 2.95Å
302P83.4Confident87.6Confident47 Ų4728.2 Ų28.231%0.30514%0.14SC..SBendcis-75.9132.46.433.5-37.6000113.3M229 T268 T269M229-P302 HydrophobicContact CE-CB 4.27Å; M229-P302 HydrophobicContact CE-CG 4.37Å; T268-P302 WeakPolarHBondContact CA-O 3.41Å; T268-P302 WeakPolarHBondContact CB-O 3.5Å; T268-P302 HydrophobicContact CG2-CB 3.89Å; T268-P302 HydrophobicContact CG2-CG 4.14Å; T269-P302 PolarHBondContact N-O 2.83Å; T269-P302 VanDerWaalsContact N-O 3.11Å; T269-P302 PolarHBondContact OG1-O 2.91Å
303A86.9Confident87.2Confident3 Ų328.2 Ų28.23%0.02514%0.14CC..EExtended strand (participates in β ladder)trans-130.2145.4-170.300000112.7T269 F271 A297 M352 M354T269-A303 WeakPolarHBondContact OG1-CA 3.42Å; T269-A303 VanDerWaalsContact OG1-CB 3.29Å; T269-A303 WeakPolarHBondContact OG1-CB 3.43Å; F271-A303 HydrophobicContact CD2-CB 4.22Å; F271-A303 HydrophobicContact CE2-CB 3.77Å; A297-A303 HydrophobicContact CB-CB 4.02Å; A297-A303 WeakPolarHBondContact O-CB 3.26Å; A303-M352 PolarHBondContact N-O 3.04Å; A303-M352 VanDerWaalsContact N-O 3.16Å; A303-M354 PolarHBondContact O-N 3.35Å
304T89.1Confident86.4Confident2 Ų228 Ų281%0.01214%0.139CC..EExtended strand (participates in β ladder)trans-121.3113.3174.9-63.10000109.7T268 T269 F270 F271 M354 L356T268-T304 PolarHBondContact OG1-OG1 3.27Å; T269-T304 PolarHBondContact O-N 2.95Å; F270-T304 HydrophobicContact CD2-CG2 4.16Å; F270-T304 HydrophobicContact CE2-CG2 4.39Å; F271-T304 PolarHBondContact N-O 3.2Å; T304-M354 HydrophobicContact CG2-CE 3.63Å; T304-M354 WeakPolarHBondContact OG1-CE 3.29Å; T304-L356 HydrophobicContact CG2-CD1 3.61Å; T304-L356 HydrophobicContact CG2-CG 3.93Å
305I91.8Very high85.5Confident0 Ų029.7 Ų29.70%015%0.151CC..EExtended strand (participates in β ladder)trans-91.4117173.3-59.3166.3000108.2F271 V273 L293 F294 A297 I307 V353 M354 V355 L356F271-I305 HydrophobicContact CB-CB 4.47Å; F271-I305 HydrophobicContact CB-CG1 4.16Å; F271-I305 HydrophobicContact CD2-CG1 4.36Å; F271-I305 HydrophobicContact CG-CG1 4.42Å; V273-I305 HydrophobicContact CG2-CG2 3.95Å; L293-I305 HydrophobicContact CD2-CG2 4.33Å; F294-I305 HydrophobicContact CD1-CD1 3.91Å; F294-I305 HydrophobicContact CD2-CD1 4.47Å; F294-I305 HydrophobicContact CE1-CD1 3.83Å; F294-I305 HydrophobicContact CE2-CD1 4.4Å; F294-I305 HydrophobicContact CG-CD1 4.25Å; F294-I305 HydrophobicContact CZ-CD1 4.09Å; A297-I305 HydrophobicContact CB-CD1 3.68Å; A297-I305 HydrophobicContact CB-CG1 3.91Å; I305-I307 HydrophobicContact CG2-CD1 4.49Å; I305-I307 HydrophobicContact CG2-CG1 4.01Å; I305-V353 HydrophobicContact CD1-CG1 3.82Å; I305-V353 HydrophobicContact CG1-CG1 4.37Å; I305-M354 PolarHBondContact N-O 3.45Å; I305-V355 CarbonylContact O-C 3.55Å; I305-V355 WeakPolarHBondContact O-CA 3.35Å; I305-L356 PolarHBondContact O-N 3.38Å
306F93.5Very high84.3Confident0 Ų034.9 Ų34.90%017%0.168CC..EExtended strand (participates in β ladder)trans-104.1118.5172.5177.8-113.3000110.2M247 T256 A259 F270 F271 N272 V273 D308 L356 A358M247-F306 HydrophobicContact CE-CD2 4.27Å; M247-F306 HydrophobicContact CE-CE2 3.65Å; T256-F306 HydrophobicContact CG2-CE1 3.73Å; T256-F306 HydrophobicContact CG2-CZ 4.27Å; A259-F306 HydrophobicContact CB-CB 4.39Å; A259-F306 HydrophobicContact CB-CD1 4.3Å; A259-F306 HydrophobicContact CB-CD2 3.35Å; A259-F306 HydrophobicContact CB-CE1 4.48Å; A259-F306 HydrophobicContact CB-CE2 3.58Å; A259-F306 HydrophobicContact CB-CG 3.75Å; A259-F306 HydrophobicContact CB-CZ 4.15Å; F270-F306 HydrophobicContact CD2-CB 4.42Å; F270-F306 HydrophobicContact CE1-CB 4.4Å; F270-F306 HydrophobicContact CE2-CB 3.42Å; F270-F306 VanDerWaalsContact CE2-CB 3.42Å; F270-F306 HydrophobicContact CE2-CG 4.13Å; F270-F306 HydrophobicContact CZ-CB 3.41Å; F270-F306 VanDerWaalsContact CZ-CB 3.41Å; F270-F306 AromaticContact CZ-CD1 3.82Å; F270-F306 HydrophobicContact CZ-CD1 3.82Å; F270-F306 AromaticContact CZ-CG 3.78Å; F270-F306 HydrophobicContact CZ-CG 3.78Å; F271-F306 PolarHBondContact O-N 3.23Å; N272-F306 WeakPolarHBondContact OD1-CD1 3.09Å; V273-F306 WeakPolarHBondContact CB-O 3.41Å; V273-F306 PolarHBondContact N-O 3.43Å; F306-D308 HydrophobicContact CD1-CB 4.38Å; F306-D308 HydrophobicContact CE1-CB 3.57Å; F306-D308 HydrophobicContact CZ-CB 3.93Å; F306-L356 CarbonylContact C-O 3.59Å; F306-L356 VanDerWaalsContact CA-O 3.28Å; F306-L356 WeakPolarHBondContact CA-O 3.25Å; F306-L356 HydrophobicContact CD2-CB 3.94Å; F306-A358 HydrophobicContact CE2-CB 3.65Å; F306-A358 HydrophobicContact CZ-CB 3.66Å
307I92Very high82.8Confident1 Ų142.8 Ų42.81%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-106.1104.6175.5-53177.6000107.7V273 I305 I310 I313 L333 V355 L356 A357 A358V273-I307 HydrophobicContact CB-CG1 4.31Å; V273-I307 WeakPolarHBondContact O-CA 3.5Å; I305-I307 HydrophobicContact CG2-CD1 4.49Å; I305-I307 HydrophobicContact CG2-CG1 4.01Å; I307-I310 HydrophobicContact CB-CD1 4.21Å; I307-I310 HydrophobicContact CD1-CD1 4.27Å; I307-I310 HydrophobicContact CG2-CB 4.06Å; I307-I310 HydrophobicContact CG2-CD1 4.02Å; I307-I310 HydrophobicContact CG2-CG1 3.91Å; I307-I313 HydrophobicContact CG2-CD1 4.03Å; I307-L333 HydrophobicContact CD1-CD1 3.87Å; I307-L333 HydrophobicContact CD1-CD2 4.16Å; I307-V355 HydrophobicContact CD1-CG1 4.12Å; I307-L356 PolarHBondContact N-O 3.24Å; I307-A357 WeakPolarHBondContact O-CA 3.25Å; I307-A358 PolarHBondContact O-N 3.33Å
308D91.1Very high81.2Confident35 Ų3545.9 Ų45.919%0.18723%0.23CC..THydrogen-bonded Turntrans-81.2149.8174.8-145.1-16.1000110.7T256 V273 F306 I310T256-D308 PolarHBondContact OG1-OD2 3.43Å; V273-D308 PolarHBondContact O-N 2.76Å; F306-D308 HydrophobicContact CD1-CB 4.38Å; F306-D308 HydrophobicContact CE1-CB 3.57Å; F306-D308 HydrophobicContact CZ-CB 3.93Å; D308-I310 VanDerWaalsContact C-N 3.3Å; D308-I310 PolarHBondContact O-N 3.15Å
309E88.6Confident79.8Confident90 Ų9045.1 Ų45.142%0.42124%0.236SC..THydrogen-bonded Turntrans49.546.8179.8-57.8-178.8163.600113.3D311 S312 A358E309-D311 PolarHBondContact O-N 3.34Å; E309-S312 WeakPolarHBondContact O-CB 3.43Å; E309-S312 PolarHBondContact O-N 3.26Å; E309-S312 PolarHBondContact O-OG 3.35Å; E309-A358 PolarHBondContact N-O 3.11Å; E309-A358 VanDerWaalsContact N-O 3.15Å
310I89.4Confident78.5Confident0 Ų047 Ų470%026%0.26CS..Hα-helixtrans-60.1-23-172.9-162.9161.1000113.6L246 I307 D308 S312 I313 C314 A357 A358 I365 L369 L373L246-I310 HydrophobicContact CD1-CG2 4.23Å; I307-I310 HydrophobicContact CB-CD1 4.21Å; I307-I310 HydrophobicContact CD1-CD1 4.27Å; I307-I310 HydrophobicContact CG2-CB 4.06Å; I307-I310 HydrophobicContact CG2-CD1 4.02Å; I307-I310 HydrophobicContact CG2-CG1 3.91Å; D308-I310 VanDerWaalsContact C-N 3.3Å; D308-I310 PolarHBondContact O-N 3.15Å; I310-S312 PolarHBondContact O-N 3.37Å; I310-I313 PolarHBondContact O-N 3.37Å; I310-C314 WeakPolarHBondContact O-CB 3.45Å; I310-C314 PolarHBondContact O-N 2.92Å; I310-A357 HydrophobicContact CB-CB 4.34Å; I310-A357 HydrophobicContact CD1-CB 3.59Å; I310-A357 HydrophobicContact CG2-CB 4.18Å; I310-A358 PolarHBondContact N-O 3.13Å; I310-A358 VanDerWaalsContact N-O 3.07Å; I310-I365 HydrophobicContact CG2-CD1 3.96Å; I310-L369 HydrophobicContact CD1-CD1 4.48Å; I310-L369 HydrophobicContact CD1-CD2 3.62Å; I310-L369 HydrophobicContact CG1-CD2 3.74Å; I310-L373 HydrophobicContact CD1-CD1 4.45Å
311D86.8Confident77.4Confident22 Ų2252.5 Ų52.512%0.11829%0.288CS..Hα-helixtrans-60.1-29.8173.648.8-77.2000113.1E309 I313 S315 T359 F361 D364E309-D311 PolarHBondContact O-N 3.34Å; D311-I313 VanDerWaalsContact C-N 3.35Å; D311-I313 PolarHBondContact O-N 3.11Å; D311-S315 WeakPolarHBondContact O-CA 3.35Å; D311-S315 WeakPolarHBondContact O-CB 3.29Å; D311-S315 PolarHBondContact O-N 3.47Å; D311-T359 VanDerWaalsContact CG-OG1 3.29Å; D311-T359 WeakPolarHBondContact OD1-CB 3.49Å; D311-T359 PolarHBondContact OD1-OG1 3.06Å; D311-F361 HydrophobicContact CB-CB 4.37Å; D311-F361 WeakPolarHBondContact OD2-CD2 3.5Å; D311-D364 HydrophobicContact CB-CB 4.48Å
312S82.6Confident76.6Confident53 Ų5352.3 Ų52.337%0.37128%0.284SS..Hα-helixtrans-67.8-32.1177.465.60000113.5S275 E309 I310S275-S312 WeakPolarHBondContact CB-OG 3.42Å; E309-S312 WeakPolarHBondContact O-CB 3.43Å; E309-S312 PolarHBondContact O-N 3.26Å; E309-S312 PolarHBondContact O-OG 3.35Å; I310-S312 PolarHBondContact O-N 3.37Å
313I78.7Confident76.2Confident1 Ų157.4 Ų57.41%0.00530%0.303CS..Hα-helixtrans-90.5-34.1178.7-57.1150.7000110.2L278 I307 I310 D311 S326 V329L278-I313 HydrophobicContact CD1-CD1 3.63Å; L278-I313 HydrophobicContact CD1-CG1 4.37Å; I307-I313 HydrophobicContact CG2-CD1 4.03Å; I310-I313 PolarHBondContact O-N 3.37Å; D311-I313 VanDerWaalsContact C-N 3.35Å; D311-I313 PolarHBondContact O-N 3.11Å; I313-S326 PolarHBondContact O-OG 3.17Å; I313-V329 HydrophobicContact CG2-CG1 3.74Å
314C73.4Confident75.8Confident0 Ų062 Ų620%032%0.324CS..SBendtrans-116.935.5-168.3-660000113.5I310 D366 L369I310-C314 WeakPolarHBondContact O-CB 3.45Å; I310-C314 PolarHBondContact O-N 2.92Å; C314-D366 PolarHBondContact O-N 2.92Å; C314-L369 HydrophobicContact CB-CD2 3.48Å; C314-L369 VanDerWaalsContact CB-CD2 3.48Å
315S69Low75.2Confident36 Ų3664.1 Ų64.125%0.25234%0.342SS..PPolyproline II helixtrans-58.9159.217765.50000112.3D311 R317 K330 D364D311-S315 WeakPolarHBondContact O-CA 3.35Å; D311-S315 WeakPolarHBondContact O-CB 3.29Å; D311-S315 PolarHBondContact O-N 3.47Å; S315-R317 PolarHBondContact O-N 3.13Å; S315-K330 PolarHBondContact O-NZ 3.29Å; S315-D364 CarbonylContact C-O 3.38Å; S315-D364 WeakPolarHBondContact CA-O 3.41Å
316R61.7Low74.6Confident178 Ų17865 Ų6567%0.67235%0.348SS*.PPolyproline II helixtrans-63.7128-176.1-166.4170.5175.7167.9-1.7110.2G318 D364R316-G318 PolarHBondContact O-N 3.2Å; R316-D364 PolarHBondContact N-O 2.89Å
317R56.8Low74Confident167 Ų16769.9 Ų69.963%0.6337%0.367SS*.THydrogen-bonded Turntrans-53.3130.8178.3-62.4174.7-179.9-129.4-3.7110.2S315 D366S315-R317 PolarHBondContact O-N 3.13Å; R317-D366 IonicContact CZ-OD2 2.71Å; R317-D366 IonicContact NE-OD2 3.41Å; R317-D366 PolarHBondContact NE-OD2 2.96Å; R317-D366 IonicContact NH2-OD2 3.63Å
318G54.4Low73.6Confident66 Ų6675.9 Ų75.968%0.6839%0.389SS*.THydrogen-bonded Turntrans123.75.3162.200000117.6R316R316-G318 PolarHBondContact O-N 3.2Å
319T55.9Low73.4Confident82 Ų8274.2 Ų74.250%0.50338%0.38SS..  trans-76.4133.2161.556.90000108.5E321 E322T319-E321 PolarHBondContact O-N 3.28Å; T319-E322 PolarHBondContact O-N 2.93Å
320S57Low73.3Confident129 Ų12970.2 Ų70.290%0.90236%0.362SS*.THydrogen-bonded Turntrans-60.9-5.1177.538.50000114
321E61.4Low73.2Confident163 Ų16372.8 Ų72.876%0.76238%0.383SS*.THydrogen-bonded Turntrans-102.3-0.9-177.5-64176.8171.300113.2T319 H323T319-E321 PolarHBondContact O-N 3.28Å; E321-H323 PolarHBondContact O-N 3.15Å; E321-H323 VanDerWaalsContact O-N 3.08Å
322E65.9Low73.2Confident24 Ų2472.6 Ų72.611%0.11238%0.381CS..  trans-67.9111.6178.5-167.8-172.5-171.700110.7T319 E324 R327T319-E322 PolarHBondContact O-N 2.93Å; E322-E324 PolarHBondContact O-N 3.42Å; E322-R327 VanDerWaalsContact CD-CG 3.46Å; E322-R327 HydrophobicContact CG-CG 4.07Å; E322-R327 VanDerWaalsContact OE1-CG 3.32Å; E322-R327 WeakPolarHBondContact OE1-CG 3.33Å; E322-R327 IonicContact OE2-CZ 2.89Å; E322-R327 IonicContact OE2-NE 3.47Å; E322-R327 PolarHBondContact OE2-NE 3.14Å; E322-R327 IonicContact OE2-NH2 3.84Å; E322-R327 PolarHBondContact OE2-NH2 2.96Å
323H73.7Confident73.5Confident153 Ų15370.2 Ų70.271%0.70836%0.364SS*.  trans-61.8131.9175.9-72.5-64.2000111.4E321 A325 S326 R327E321-H323 PolarHBondContact O-N 3.15Å; E321-H323 VanDerWaalsContact O-N 3.08Å; H323-A325 PolarHBondContact O-N 2.94Å; H323-S326 WeakPolarHBondContact O-CB 3.47Å; H323-S326 PolarHBondContact O-N 2.85Å; H323-R327 PolarHBondContact O-N 3.45Å
324E78.6Confident74Confident100 Ų10070.9 Ų70.947%0.46737%0.368SS..Hα-helixtrans-50.7-31.1176.1-76.9-67.5123.100113.5E322 R327 R328E322-E324 PolarHBondContact O-N 3.42Å; E324-R327 PolarHBondContact O-N 2.9Å; E324-R327 IonicContact OE1-CZ 3.7Å; E324-R327 IonicContact OE1-NH1 2.79Å; E324-R327 PolarHBondContact OE1-NH1 3.21Å; E324-R328 PolarHBondContact O-N 3.44Å
325A77Confident74.7Confident47 Ų4775 Ų7539%0.38839%0.393SS..Hα-helixtrans-62-42.2174.900000112.5H323 R327 R328 V329H323-A325 PolarHBondContact O-N 2.94Å; A325-R327 VanDerWaalsContact C-N 3.35Å; A325-R327 PolarHBondContact O-N 3.46Å; A325-R328 PolarHBondContact O-N 3.39Å; A325-V329 VanDerWaalsContact O-CG2 3.32Å; A325-V329 WeakPolarHBondContact O-CG2 3.41Å; A325-V329 PolarHBondContact O-N 2.61Å; A325-V329 VanDerWaalsContact O-N 3.16Å
326S79.2Confident75.6Confident19 Ų1974.3 Ų74.313%0.13339%0.386CS..Hα-helixtrans-64.2-41178.7-169.10000111.3I313 H323 R328 V329 K330I313-S326 PolarHBondContact O-OG 3.17Å; H323-S326 WeakPolarHBondContact O-CB 3.47Å; H323-S326 PolarHBondContact O-N 2.85Å; S326-R328 PolarHBondContact O-N 2.95Å; S326-V329 PolarHBondContact O-N 3.42Å; S326-K330 WeakPolarHBondContact O-CB 3.34Å; S326-K330 PolarHBondContact O-N 2.81Å
327R80.9Confident76.7Confident101 Ų10166.1 Ų66.138%0.38136%0.355SS..Hα-helixtrans-59.1-43.1177-69.5-179.7178.41654112.9E322 H323 E324 A325 K330 A331E322-R327 VanDerWaalsContact CD-CG 3.46Å; E322-R327 HydrophobicContact CG-CG 4.07Å; E322-R327 VanDerWaalsContact OE1-CG 3.32Å; E322-R327 WeakPolarHBondContact OE1-CG 3.33Å; E322-R327 IonicContact OE2-CZ 2.89Å; E322-R327 IonicContact OE2-NE 3.47Å; E322-R327 PolarHBondContact OE2-NE 3.14Å; E322-R327 IonicContact OE2-NH2 3.84Å; E322-R327 PolarHBondContact OE2-NH2 2.96Å; H323-R327 PolarHBondContact O-N 3.45Å; E324-R327 PolarHBondContact O-N 2.9Å; E324-R327 IonicContact OE1-CZ 3.7Å; E324-R327 IonicContact OE1-NH1 2.79Å; E324-R327 PolarHBondContact OE1-NH1 3.21Å; A325-R327 VanDerWaalsContact C-N 3.35Å; A325-R327 PolarHBondContact O-N 3.46Å; R327-K330 PolarHBondContact O-N 3.35Å; R327-A331 WeakPolarHBondContact O-CB 3.47Å; R327-A331 PolarHBondContact O-N 2.79Å
328R84.3Confident77.7Confident127 Ų12761.7 Ų61.748%0.47934%0.344SS..Hα-helixtrans-67.1-44.1178.4-66.4-178.8-157134.77.9111.6E324 A325 S326 K330 A331 E332E324-R328 PolarHBondContact O-N 3.44Å; A325-R328 PolarHBondContact O-N 3.39Å; S326-R328 PolarHBondContact O-N 2.95Å; R328-K330 VanDerWaalsContact C-N 3.33Å; R328-K330 PolarHBondContact O-N 2.85Å; R328-A331 PolarHBondContact O-N 2.93Å; R328-E332 WeakPolarHBondContact O-CB 3.29Å; R328-E332 PolarHBondContact O-N 3.18Å
329V85.8Confident78.5Confident1 Ų160 Ų601%0.00633%0.327CS..Hα-helixtrans-57.6-47.7174.9172.90000110.8L278 S286 V290 I313 A325 S326 E332 L333L278-V329 HydrophobicContact CD1-CG1 4.2Å; S286-V329 WeakPolarHBondContact OG-CG2 3.41Å; V290-V329 HydrophobicContact CG2-CG1 3.91Å; I313-V329 HydrophobicContact CG2-CG1 3.74Å; A325-V329 VanDerWaalsContact O-CG2 3.32Å; A325-V329 WeakPolarHBondContact O-CG2 3.41Å; A325-V329 PolarHBondContact O-N 2.61Å; A325-V329 VanDerWaalsContact O-N 3.16Å; S326-V329 PolarHBondContact O-N 3.42Å; V329-E332 PolarHBondContact O-N 2.65Å; V329-L333 VanDerWaalsContact O-CB 3.31Å; V329-L333 WeakPolarHBondContact O-CB 3.31Å; V329-L333 PolarHBondContact O-N 2.84Å
330K86.1Confident78.7Confident5 Ų557.6 Ų57.62%0.02231%0.312CS..Hα-helixtrans-61-45.1177.6178.5178.9-179.3179.70112.3S315 S326 R327 R328 L333 L334 D366S315-K330 PolarHBondContact O-NZ 3.29Å; S326-K330 WeakPolarHBondContact O-CB 3.34Å; S326-K330 PolarHBondContact O-N 2.81Å; R327-K330 PolarHBondContact O-N 3.35Å; R328-K330 VanDerWaalsContact C-N 3.33Å; R328-K330 PolarHBondContact O-N 2.85Å; K330-L333 PolarHBondContact O-N 3.09Å; K330-L334 HydrophobicContact CG-CD1 4.38Å; K330-L334 VanDerWaalsContact O-CG 3.25Å; K330-L334 WeakPolarHBondContact O-CG 3.23Å; K330-L334 PolarHBondContact O-N 3.05Å; K330-L334 VanDerWaalsContact O-N 3.08Å; K330-D366 WeakPolarHBondContact CE-OD2 3.49Å; K330-D366 VanDerWaalsContact NZ-CB 3.25Å; K330-D366 IonicContact NZ-OD2 3.16Å; K330-D366 PolarHBondContact NZ-OD2 2.82Å
331A87.2Confident78.4Confident54 Ų5453.8 Ų53.845%0.44629%0.293SS..Hα-helixtrans-61.3-45.8177.400000111.4R327 R328 L334 V335R327-A331 WeakPolarHBondContact O-CB 3.47Å; R327-A331 PolarHBondContact O-N 2.79Å; R328-A331 PolarHBondContact O-N 2.93Å; A331-L334 PolarHBondContact O-N 3.26Å; A331-V335 WeakPolarHBondContact O-CG2 3.38Å; A331-V335 PolarHBondContact O-N 3.17Å; A331-V335 VanDerWaalsContact O-N 3.13Å
332E88.5Confident77.5Confident19 Ų1948.3 Ų48.39%0.08928%0.28CS..Hα-helixtrans-65.3-43.3178.5-171.460.1-14600112E287 V290 R291 R328 V329 L334 V335 Q336E287-E332 HydrophobicContact CB-CB 4.42Å; V290-E332 HydrophobicContact CB-CB 4.48Å; V290-E332 HydrophobicContact CB-CG 4.04Å; V290-E332 HydrophobicContact CG1-CB 4.36Å; V290-E332 HydrophobicContact CG1-CG 3.96Å; R291-E332 HydrophobicContact CG-CG 3.94Å; R291-E332 WeakPolarHBondContact CG-OE1 3.41Å; R291-E332 IonicContact CZ-OE1 2.66Å; R291-E332 IonicContact CZ-OE2 2.96Å; R291-E332 IonicContact NE-OE1 3.29Å; R291-E332 PolarHBondContact NE-OE1 2.95Å; R291-E332 IonicContact NE-OE2 3.49Å; R291-E332 PolarHBondContact NE-OE2 3.4Å; R291-E332 VanDerWaalsContact NE-OE2 3.16Å; R291-E332 IonicContact NH2-OE1 2.79Å; R291-E332 IonicContact NH2-OE2 2.66Å; R291-E332 PolarHBondContact NH2-OE2 2.9Å; R328-E332 WeakPolarHBondContact O-CB 3.29Å; R328-E332 PolarHBondContact O-N 3.18Å; V329-E332 PolarHBondContact O-N 2.65Å; E332-L334 VanDerWaalsContact C-N 3.3Å; E332-L334 PolarHBondContact O-N 3.38Å; E332-V335 PolarHBondContact O-N 3.33Å; E332-V335 VanDerWaalsContact O-N 3.13Å; E332-Q336 HydrophobicContact CG-CG 4.45Å; E332-Q336 WeakPolarHBondContact O-CG 3.37Å; E332-Q336 PolarHBondContact O-N 3.35Å; E332-Q336 PolarHBondContact OE1-NE2 3.4Å
333L89Confident76.2Confident3 Ų352 Ų522%0.01632%0.315CS..Hα-helixtrans-57-44.2176.3179.462.2000111.4V290 F294 I307 V329 K330 V335 Q336 M337V290-L333 HydrophobicContact CG1-CB 4.28Å; V290-L333 HydrophobicContact CG1-CD1 4.43Å; F294-L333 HydrophobicContact CE2-CD1 3.65Å; F294-L333 HydrophobicContact CZ-CD1 3.89Å; I307-L333 HydrophobicContact CD1-CD1 3.87Å; I307-L333 HydrophobicContact CD1-CD2 4.16Å; V329-L333 VanDerWaalsContact O-CB 3.31Å; V329-L333 WeakPolarHBondContact O-CB 3.31Å; V329-L333 PolarHBondContact O-N 2.84Å; K330-L333 PolarHBondContact O-N 3.09Å; L333-V335 PolarHBondContact O-N 2.85Å; L333-Q336 PolarHBondContact O-N 2.93Å; L333-M337 HydrophobicContact CD1-CG 4.27Å; L333-M337 HydrophobicContact CD1-SD 4.36Å; L333-M337 HydrophobicContact CG-CG 4.49Å; L333-M337 HydrophobicContact CG-SD 4.17Å; L333-M337 WeakPolarHBondContact O-CB 3.37Å; L333-M337 VanDerWaalsContact O-CG 3.24Å; L333-M337 WeakPolarHBondContact O-CG 3.36Å; L333-M337 PolarHBondContact O-N 3.48Å
334L88.1Confident74.4Confident14 Ų1450.5 Ų50.57%0.07332%0.321CS..Hα-helixtrans-63-41.3177-68.8169.8000112.2K330 A331 E332 M337 D338 A368 L369K330-L334 HydrophobicContact CG-CD1 4.38Å; K330-L334 VanDerWaalsContact O-CG 3.25Å; K330-L334 WeakPolarHBondContact O-CG 3.23Å; K330-L334 PolarHBondContact O-N 3.05Å; K330-L334 VanDerWaalsContact O-N 3.08Å; A331-L334 PolarHBondContact O-N 3.26Å; E332-L334 VanDerWaalsContact C-N 3.3Å; E332-L334 PolarHBondContact O-N 3.38Å; L334-M337 PolarHBondContact O-N 3.5Å; L334-D338 PolarHBondContact O-N 2.85Å; L334-D338 VanDerWaalsContact O-N 3.11Å; L334-A368 HydrophobicContact CD1-CB 3.9Å; L334-A368 HydrophobicContact CD2-CB 4.34Å; L334-L369 HydrophobicContact CD2-CB 4.03Å; L334-L369 HydrophobicContact CD2-CD1 3.79Å
335V88.4Confident72.6Confident87 Ų8752.2 Ų52.253%0.52733%0.33SS..Hα-helixtrans-63.4-45.2176.7171.60000110.7A331 E332 L333 D338 G339A331-V335 WeakPolarHBondContact O-CG2 3.38Å; A331-V335 PolarHBondContact O-N 3.17Å; A331-V335 VanDerWaalsContact O-N 3.13Å; E332-V335 PolarHBondContact O-N 3.33Å; E332-V335 VanDerWaalsContact O-N 3.13Å; L333-V335 PolarHBondContact O-N 2.85Å; V335-D338 PolarHBondContact O-N 3.11Å; V335-G339 PolarHBondContact O-N 2.87Å
336Q87.8Confident70.8Confident22 Ų2257 Ų5710%0.10335%0.349CS..Hα-helixtrans-66.8-38.2178.6-65.6-57.3-27.500112.6V290 F294 E332 L333 D338 G339 V340V290-Q336 HydrophobicContact CG1-CG 4.27Å; F294-Q336 HydrophobicContact CB-CB 4.24Å; F294-Q336 HydrophobicContact CB-CG 4.26Å; F294-Q336 HydrophobicContact CD1-CB 3.83Å; F294-Q336 HydrophobicContact CD2-CB 3.57Å; F294-Q336 HydrophobicContact CD2-CG 3.94Å; F294-Q336 HydrophobicContact CE1-CB 3.99Å; F294-Q336 HydrophobicContact CE2-CB 3.75Å; F294-Q336 HydrophobicContact CE2-CG 4.47Å; F294-Q336 HydrophobicContact CG-CB 3.6Å; F294-Q336 HydrophobicContact CG-CG 4.07Å; F294-Q336 HydrophobicContact CZ-CB 3.95Å; E332-Q336 HydrophobicContact CG-CG 4.45Å; E332-Q336 WeakPolarHBondContact O-CG 3.37Å; E332-Q336 PolarHBondContact O-N 3.35Å; E332-Q336 PolarHBondContact OE1-NE2 3.4Å; L333-Q336 PolarHBondContact O-N 2.93Å; Q336-D338 VanDerWaalsContact C-N 3.31Å; Q336-D338 PolarHBondContact O-N 3.11Å; Q336-G339 CarbonylContact O-C 3.6Å; Q336-G339 PolarHBondContact O-N 3.42Å; Q336-G339 VanDerWaalsContact O-N 3.15Å; Q336-V340 PolarHBondContact O-N 3.4Å
337M84.6Confident69.6Low5 Ų563 Ų633%0.02538%0.379CS..Hα-helixtrans-66.3-27.9174.9-74.1-177.680.300113.7F294 L333 L334 V340 V355 L369 R372 L373F294-M337 HydrophobicContact CZ-CG 4.14Å; L333-M337 HydrophobicContact CD1-CG 4.27Å; L333-M337 HydrophobicContact CD1-SD 4.36Å; L333-M337 HydrophobicContact CG-CG 4.49Å; L333-M337 HydrophobicContact CG-SD 4.17Å; L333-M337 WeakPolarHBondContact O-CB 3.37Å; L333-M337 VanDerWaalsContact O-CG 3.24Å; L333-M337 WeakPolarHBondContact O-CG 3.36Å; L333-M337 PolarHBondContact O-N 3.48Å; L334-M337 PolarHBondContact O-N 3.5Å; M337-V340 WeakPolarHBondContact O-CG2 3.32Å; M337-V355 HydrophobicContact CE-CB 4.37Å; M337-V355 HydrophobicContact CE-CG1 4.12Å; M337-V355 HydrophobicContact CG-CG2 4.48Å; M337-L369 HydrophobicContact CE-CD1 4.27Å; M337-L369 HydrophobicContact SD-CD1 3.55Å; M337-L369 VanDerWaalsContact SD-CD1 3.55Å; M337-R372 HydrophobicContact CB-CB 4.43Å; M337-R372 HydrophobicContact CB-CG 4.15Å; M337-R372 HydrophobicContact CE-CB 3.72Å; M337-R372 HydrophobicContact SD-CB 4.35Å; M337-L373 HydrophobicContact CE-CD2 3.81Å; M337-L373 HydrophobicContact CE-CG 4.21Å
338D79Confident68.4Low74 Ų7462.4 Ų62.440%0.39638%0.383SS..Hα-helixtrans-75.8-38.2171.3-68.8-20.8000110.4L334 V335 Q336 V340 R372L334-D338 PolarHBondContact O-N 2.85Å; L334-D338 VanDerWaalsContact O-N 3.11Å; V335-D338 PolarHBondContact O-N 3.11Å; Q336-D338 VanDerWaalsContact C-N 3.31Å; Q336-D338 PolarHBondContact O-N 3.11Å; D338-V340 PolarHBondContact O-N 3.11Å; D338-R372 WeakPolarHBondContact OD1-CG 3.41Å; D338-R372 IonicContact OD1-CZ 2.95Å; D338-R372 IonicContact OD1-NE 3.55Å; D338-R372 PolarHBondContact OD1-NE 3.06Å; D338-R372 IonicContact OD1-NH2 2.93Å; D338-R372 IonicContact OD2-CZ 3.62Å; D338-R372 IonicContact OD2-NE 3.59Å; D338-R372 PolarHBondContact OD2-NE 3.15Å; D338-R372 IonicContact OD2-NH2 2.87Å; D338-R372 PolarHBondContact OD2-NH2 3.23Å
339G69.6Low67.2Low31 Ų3160 Ų6032%0.3238%0.384SS..Hα-helixtrans-68.3-23.7179.700000115.5V335 Q336 G341 G342V335-G339 PolarHBondContact O-N 2.87Å; Q336-G339 CarbonylContact O-C 3.6Å; Q336-G339 PolarHBondContact O-N 3.42Å; Q336-G339 VanDerWaalsContact O-N 3.15Å; G339-G341 PolarHBondContact O-N 3.2Å; G339-G342 PolarHBondContact O-N 3.11Å
340V61.4Low65.9Low31 Ų3162.6 Ų62.619%0.18840%0.403CS..THydrogen-bonded Turntrans-63-1.8175.3-69.30000114.3F294 Q336 M337 D338 V353F294-V340 HydrophobicContact CD1-CG1 3.62Å; F294-V340 HydrophobicContact CE1-CG1 3.59Å; Q336-V340 PolarHBondContact O-N 3.4Å; M337-V340 WeakPolarHBondContact O-CG2 3.32Å; D338-V340 PolarHBondContact O-N 3.11Å; V340-V353 HydrophobicContact CG1-CB 4.25Å; V340-V353 HydrophobicContact CG1-CG1 4.15Å
341G51.3Low64.9Low49 Ų4968.3 Ų68.351%0.50543%0.427SS..THydrogen-bonded Turntrans-156.445.4168.300000114K243 G339K243-G341 PolarHBondContact NZ-O 3.16Å; G339-G341 PolarHBondContact O-N 3.2Å
342G40.9Very low64.3Low48 Ų4867.9 Ų67.950%0.49542%0.417SS..  trans-144.4124.7176.800000111.4G339G339-G342 PolarHBondContact O-N 3.11Å
343A38.1Very low64.1Low103 Ų10367.6 Ų67.685%0.85142%0.416SS*.SBendtrans83.989172.700000117.8
344S36.7Very low64Low120 Ų12067.8 Ų67.884%0.83942%0.417SS*.SBend91.926.6126.8-152.70000121.6
345E40.2Very low64.2Low137 Ų13767.2 Ų67.264%0.6441%0.414SS*.  trans-134.498.6158.1-68.2-167.9176.300109.8K351E345-K351 IonicContact OE2-NZ 3.54Å; E345-K351 PolarHBondContact OE2-NZ 3.39Å
346N40.1Very low64.4Low148 Ų14863 Ų6379%0.79139%0.389SS*.  trans33.9146.9153.9-56.3-33.1000120D348N346-D348 PolarHBondContact O-N 2.88Å
347D52.9Low64.7Low144 Ų14462 Ų6277%0.7738%0.384SS*.SBendtrans-55.348.2170.4-60.5-78.5000115.2P349D347-P349 VanDerWaalsContact O-CD 3.3Å; D347-P349 WeakPolarHBondContact O-CD 3.5Å
348D57Low65.1Low88 Ų8861.8 Ų61.847%0.47138%0.383SS..  trans-99.5104.2178.3-160.1-21.1000108.9N346 S350 K351N346-D348 PolarHBondContact O-N 2.88Å; D348-S350 PolarHBondContact O-N 2.96Å; D348-S350 VanDerWaalsContact OD1-CB 3.26Å; D348-S350 WeakPolarHBondContact OD1-CB 3.44Å; D348-S350 PolarHBondContact OD1-N 3.27Å; D348-S350 VanDerWaalsContact OD1-N 3.13Å; D348-S350 PolarHBondContact OD1-OG 3.02Å; D348-S350 PolarHBondContact OD2-OG 3.35Å; D348-S350 VanDerWaalsContact OD2-OG 3.12Å; D348-K351 PolarHBondContact O-N 3.15Å
349P58.2Low65.8Low76 Ų7658.2 Ų58.249%0.49436%0.364SS..G310 helixtrans-61.9-10.717827.5-35.4000113P232 D347 K351P232-P349 HydrophobicContact CB-CB 3.65Å; P232-P349 HydrophobicContact CB-CG 3.96Å; P232-P349 HydrophobicContact CG-CB 4.23Å; P232-P349 HydrophobicContact CG-CG 4.13Å; D347-P349 VanDerWaalsContact O-CD 3.3Å; D347-P349 WeakPolarHBondContact O-CD 3.5Å; P349-K351 VanDerWaalsContact C-N 3.32Å; P349-K351 PolarHBondContact O-N 3.37Å
350S58Low66.9Low57 Ų5758.1 Ų58.140%0.39936%0.356SS..G310 helixtrans-70.5-22.2178.766.50000114.4S301 D348 M352S301-S350 PolarHBondContact OG-O 3.29Å; S301-S350 VanDerWaalsContact OG-O 3.14Å; D348-S350 PolarHBondContact O-N 2.96Å; D348-S350 VanDerWaalsContact OD1-CB 3.26Å; D348-S350 WeakPolarHBondContact OD1-CB 3.44Å; D348-S350 PolarHBondContact OD1-N 3.27Å; D348-S350 VanDerWaalsContact OD1-N 3.13Å; D348-S350 PolarHBondContact OD1-OG 3.02Å; D348-S350 PolarHBondContact OD2-OG 3.35Å; D348-S350 VanDerWaalsContact OD2-OG 3.12Å; S350-M352 PolarHBondContact O-N 3.23Å
351K65.6Low68.3Low124 Ų12460.9 Ų60.954%0.53937%0.366SS..G310 helixtrans-9832.5-177.8-62.6-167.6-174.3-172.60114S301 E345 D348 P349S301-K351 WeakPolarHBondContact OG-CA 3.07Å; E345-K351 IonicContact OE2-NZ 3.54Å; E345-K351 PolarHBondContact OE2-NZ 3.39Å; D348-K351 PolarHBondContact O-N 3.15Å; P349-K351 VanDerWaalsContact C-N 3.32Å; P349-K351 PolarHBondContact O-N 3.37Å
352M75.2Confident70.2Confident46 Ų4658.6 Ų58.623%0.22734%0.342CS..  trans-79.6124.9-178.4-167.8172.2-179.500111.8P228 P241 S301 A303 S350P228-M352 HydrophobicContact CB-CE 4.05Å; P228-M352 HydrophobicContact CB-SD 4.33Å; P241-M352 HydrophobicContact CB-CE 3.74Å; P241-M352 HydrophobicContact CG-CE 3.97Å; S301-M352 PolarHBondContact OG-N 3.47Å; S301-M352 VanDerWaalsContact OG-N 3.08Å; S301-M352 PolarHBondContact OG-O 2.95Å; A303-M352 PolarHBondContact N-O 3.04Å; A303-M352 VanDerWaalsContact N-O 3.16Å; S350-M352 PolarHBondContact O-N 3.23Å
353V84.9Confident72.6Confident13 Ų1359.8 Ų59.88%0.07933%0.332CS..EExtended strand (participates in β ladder)trans-115.6123.2169.2-179.20000108.4A297 R298 I305 V340A297-V353 HydrophobicContact CB-CG1 4.01Å; A297-V353 HydrophobicContact CB-CG2 4.44Å; R298-V353 HydrophobicContact CG-CG2 3.96Å; I305-V353 HydrophobicContact CD1-CG1 3.82Å; I305-V353 HydrophobicContact CG1-CG1 4.37Å; V340-V353 HydrophobicContact CG1-CB 4.25Å; V340-V353 HydrophobicContact CG1-CG1 4.15Å
354M86.3Confident75Confident7 Ų758 Ų583%0.03431%0.308CS..EExtended strand (participates in β ladder)trans-113138.2179.1-179.9-176.958.600110.9V225 V262 A303 T304 I305 L356V225-M354 HydrophobicContact CB-CE 4.13Å; V225-M354 HydrophobicContact CB-SD 3.77Å; V225-M354 HydrophobicContact CG1-CE 3.24Å; V225-M354 HydrophobicContact CG1-SD 3.37Å; V225-M354 WeakPolarHBondContact CG1-SD 3.35Å; V225-M354 HydrophobicContact CG2-CE 3.83Å; V225-M354 HydrophobicContact CG2-SD 3.23Å; V225-M354 WeakPolarHBondContact CG2-SD 3.32Å; V262-M354 HydrophobicContact CG1-CE 4.02Å; A303-M354 PolarHBondContact O-N 3.35Å; T304-M354 HydrophobicContact CG2-CE 3.63Å; T304-M354 WeakPolarHBondContact OG1-CE 3.29Å; I305-M354 PolarHBondContact N-O 3.45Å; M354-L356 HydrophobicContact CE-CD1 3.98Å; M354-L356 HydrophobicContact CE-CD2 3.83Å; M354-L356 HydrophobicContact CE-CG 3.8Å; M354-L356 HydrophobicContact CG-CD2 4.32Å; M354-L356 HydrophobicContact SD-CD2 3.84Å; M354-L356 HydrophobicContact SD-CG 4.38Å
355V91.2Very high77.4Confident1 Ų152.8 Ų52.81%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-106115.7174.1-174.20000110.1K243 G244 V245 F294 I305 I307 M337K243-V355 PolarHBondContact O-N 3.47Å; G244-V355 WeakPolarHBondContact CA-O 3.42Å; V245-V355 PolarHBondContact N-O 2.66Å; F294-V355 HydrophobicContact CE1-CG2 3.99Å; F294-V355 HydrophobicContact CZ-CG2 4.13Å; I305-V355 CarbonylContact O-C 3.55Å; I305-V355 WeakPolarHBondContact O-CA 3.35Å; I307-V355 HydrophobicContact CD1-CG1 4.12Å; M337-V355 HydrophobicContact CE-CB 4.37Å; M337-V355 HydrophobicContact CE-CG1 4.12Å; M337-V355 HydrophobicContact CG-CG2 4.48Å
356L93Very high79.6Confident0 Ų047.2 Ų47.20%025%0.245CC..EExtended strand (participates in β ladder)trans-99.9131.8167.7-60.6-177.5000108.5V225 V245 A259 V262 T304 I305 F306 I307 M354V225-L356 HydrophobicContact CG2-CD2 4.41Å; V245-L356 HydrophobicContact CB-CD2 3.74Å; V245-L356 HydrophobicContact CG1-CD2 4.47Å; V245-L356 HydrophobicContact CG2-CD2 4.11Å; V245-L356 WeakPolarHBondContact O-CA 3.41Å; A259-L356 HydrophobicContact CB-CD1 4.13Å; V262-L356 HydrophobicContact CB-CD1 4.31Å; V262-L356 HydrophobicContact CG1-CD1 4.14Å; T304-L356 HydrophobicContact CG2-CD1 3.61Å; T304-L356 HydrophobicContact CG2-CG 3.93Å; I305-L356 PolarHBondContact O-N 3.38Å; F306-L356 CarbonylContact C-O 3.59Å; F306-L356 VanDerWaalsContact CA-O 3.28Å; F306-L356 WeakPolarHBondContact CA-O 3.25Å; F306-L356 HydrophobicContact CD2-CB 3.94Å; I307-L356 PolarHBondContact N-O 3.24Å; M354-L356 HydrophobicContact CE-CD1 3.98Å; M354-L356 HydrophobicContact CE-CD2 3.83Å; M354-L356 HydrophobicContact CE-CG 3.8Å; M354-L356 HydrophobicContact CG-CD2 4.32Å; M354-L356 HydrophobicContact SD-CD2 3.84Å; M354-L356 HydrophobicContact SD-CG 4.38Å
357A93.9Very high81.8Confident0 Ų046.6 Ų46.60%024%0.237CC..EExtended strand (participates in β ladder)trans-122.6142.5174.800000109.9V245 L246 M247 I307 I310 L373V245-A357 PolarHBondContact O-N 2.92Å; L246-A357 CarbonylContact C-O 3.58Å; L246-A357 WeakPolarHBondContact CA-O 3.4Å; L246-A357 HydrophobicContact CD1-CB 3.8Å; M247-A357 PolarHBondContact N-O 3.25Å; I307-A357 WeakPolarHBondContact O-CA 3.25Å; I310-A357 HydrophobicContact CB-CB 4.34Å; I310-A357 HydrophobicContact CD1-CB 3.59Å; I310-A357 HydrophobicContact CG2-CB 4.18Å; A357-L373 HydrophobicContact CB-CD1 4.18Å; A357-L373 HydrophobicContact CB-CD2 3.96Å
358A94.4Very high83.4Confident0 Ų040.9 Ų40.90%021%0.21CC..EExtended strand (participates in β ladder)trans-119.3143.2169.500000110.3M247 K255 F306 I307 E309 I310M247-A358 HydrophobicContact CE-CB 4.4Å; M247-A358 WeakPolarHBondContact O-CA 3.38Å; K255-A358 HydrophobicContact CB-CB 4.03Å; K255-A358 HydrophobicContact CD-CB 4.26Å; F306-A358 HydrophobicContact CE2-CB 3.65Å; F306-A358 HydrophobicContact CZ-CB 3.66Å; I307-A358 PolarHBondContact O-N 3.33Å; E309-A358 PolarHBondContact N-O 3.11Å; E309-A358 VanDerWaalsContact N-O 3.15Å; I310-A358 PolarHBondContact N-O 3.13Å; I310-A358 VanDerWaalsContact N-O 3.07Å
359T93.2Very high84.9Confident0 Ų036.7 Ų36.70%019%0.188CC..EExtended strand (participates in β ladder)trans-144.1145.9173.6-1740000110.7L246 M247 V248 K255 D311 F361 P362 I365L246-T359 HydrophobicContact CD1-CG2 3.84Å; L246-T359 HydrophobicContact CG-CG2 4.44Å; M247-T359 PolarHBondContact O-N 3.46Å; M247-T359 VanDerWaalsContact O-N 3.1Å; V248-T359 HydrophobicContact CB-CG2 4.25Å; V248-T359 HydrophobicContact CG1-CG2 3.77Å; K255-T359 WeakPolarHBondContact CE-O 3.4Å; D311-T359 VanDerWaalsContact CG-OG1 3.29Å; D311-T359 WeakPolarHBondContact OD1-CB 3.49Å; D311-T359 PolarHBondContact OD1-OG1 3.06Å; T359-F361 PolarHBondContact OG1-N 3.04Å; T359-P362 HydrophobicContact CG2-CB 3.86Å; T359-I365 HydrophobicContact CG2-CD1 3.75Å
360N92.9Very high86.3Confident28 Ų2835.6 Ų35.615%0.1517%0.174CC..SBendtrans-92-20.5164.7-59.1-42.3000110.9K255 P362 Y481K255-N360 VanDerWaalsContact CE-OD1 3.24Å; K255-N360 WeakPolarHBondContact CE-OD1 3.24Å; K255-N360 PolarHBondContact NZ-OD1 3.46Å; N360-P362 VanDerWaalsContact O-CD 3.29Å; N360-P362 WeakPolarHBondContact O-CD 3.47Å; N360-Y481 VanDerWaalsContact O-CE1 3.24Å; N360-Y481 WeakPolarHBondContact O-CE1 3.38Å; N360-Y481 PolarHBondContact O-OH 3.1Å
361F90.4Very high87.7Confident90 Ų9042.4 Ų42.440%0.39519%0.191SC..  trans-124.270.6-172.4-57.5-71.1000111.1D311 T359 W363 D364D311-F361 HydrophobicContact CB-CB 4.37Å; D311-F361 WeakPolarHBondContact OD2-CD2 3.5Å; T359-F361 PolarHBondContact OG1-N 3.04Å; F361-W363 AromaticContact CD1-CE2 3.94Å; F361-W363 HydrophobicContact CD1-CH2 4.48Å; F361-W363 AromaticContact CD1-CZ2 3.57Å; F361-W363 HydrophobicContact CD1-CZ2 3.57Å; F361-W363 AromaticContact CD1-NE1 3.94Å; F361-W363 HydrophobicContact CE1-CZ2 4.28Å; F361-W363 PolarHBondContact O-N 3.23Å; F361-W363 VanDerWaalsContact O-N 3.15Å; F361-D364 HydrophobicContact CB-CB 4.39Å; F361-D364 WeakPolarHBondContact CB-OD2 3.32Å; F361-D364 PolarHBondContact O-N 3.28Å
362P91.7Very high88.8Confident1 Ų139.3 Ų39.31%0.00618%0.176CC..G310 helixtrans-67.4-19.6-172.530.3-38.3000113.8V248 T359 N360 D364 Y481 W484V248-P362 HydrophobicContact CB-CB 4.09Å; V248-P362 HydrophobicContact CB-CG 4.24Å; V248-P362 HydrophobicContact CG1-CB 3.78Å; V248-P362 HydrophobicContact CG1-CG 4.47Å; T359-P362 HydrophobicContact CG2-CB 3.86Å; N360-P362 VanDerWaalsContact O-CD 3.29Å; N360-P362 WeakPolarHBondContact O-CD 3.47Å; P362-D364 VanDerWaalsContact C-N 3.28Å; P362-D364 PolarHBondContact O-N 3.14Å; P362-Y481 HydrophobicContact CG-CD1 4.17Å; P362-Y481 HydrophobicContact CG-CE1 4.24Å; P362-W484 HydrophobicContact CB-CD2 3.8Å; P362-W484 HydrophobicContact CB-CE3 3.95Å; P362-W484 HydrophobicContact CB-CG 4.48Å; P362-W484 HydrophobicContact CB-CH2 3.82Å; P362-W484 HydrophobicContact CB-CZ2 3.66Å; P362-W484 HydrophobicContact CB-CZ3 3.97Å; P362-W484 HydrophobicContact CG-CD2 3.94Å; P362-W484 HydrophobicContact CG-CE3 4.15Å; P362-W484 HydrophobicContact CG-CG 4.22Å; P362-W484 WeakPolarHBondContact O-CZ2 3.38Å; P362-W484 PolarHBondContact O-NE1 3.43Å
363W91Very high89.5Confident73 Ų7337.1 Ų37.128%0.27717%0.165SC..G310 helixtrans-71.7-18.817446.277.5000113.9F361 R480 Y481F361-W363 AromaticContact CD1-CE2 3.94Å; F361-W363 HydrophobicContact CD1-CH2 4.48Å; F361-W363 AromaticContact CD1-CZ2 3.57Å; F361-W363 HydrophobicContact CD1-CZ2 3.57Å; F361-W363 AromaticContact CD1-NE1 3.94Å; F361-W363 HydrophobicContact CE1-CZ2 4.28Å; F361-W363 PolarHBondContact O-N 3.23Å; F361-W363 VanDerWaalsContact O-N 3.15Å; W363-R480 HydrophobicContact CH2-CB 4.31Å; W363-R480 HydrophobicContact CZ3-CB 3.97Å; W363-Y481 HydrophobicContact CH2-CE1 4.04Å; W363-Y481 HydrophobicContact CH2-CE2 4.49Å; W363-Y481 HydrophobicContact CZ3-CD1 4.02Å; W363-Y481 AromaticContact CZ3-CE1 3.92Å; W363-Y481 HydrophobicContact CZ3-CE1 3.92Å
364D88.5Confident89.6Confident66 Ų6638.4 Ų38.435%0.35317%0.17SC..G310 helixtrans-88.2-7.2178.8-68.1-33.6000113D311 S315 R316 F361 P362D311-D364 HydrophobicContact CB-CB 4.48Å; S315-D364 CarbonylContact C-O 3.38Å; S315-D364 WeakPolarHBondContact CA-O 3.41Å; R316-D364 PolarHBondContact N-O 2.89Å; F361-D364 HydrophobicContact CB-CB 4.39Å; F361-D364 WeakPolarHBondContact CB-OD2 3.32Å; F361-D364 PolarHBondContact O-N 3.28Å; P362-D364 VanDerWaalsContact C-N 3.28Å; P362-D364 PolarHBondContact O-N 3.14Å
365I86.9Confident89.8Confident9 Ų939.1 Ų39.15%0.04617%0.173CC..SBendtrans-73.3128.5179.8-65.2178.5000111.3L246 I310 T359 L369 R370L246-I365 HydrophobicContact CD1-CD1 4.1Å; L246-I365 HydrophobicContact CD2-CD1 3.72Å; I310-I365 HydrophobicContact CG2-CD1 3.96Å; T359-I365 HydrophobicContact CG2-CD1 3.75Å; I365-L369 HydrophobicContact CG2-CB 4.14Å; I365-L369 HydrophobicContact CG2-CD2 4.08Å; I365-L369 HydrophobicContact CG2-CG 4.42Å; I365-R370 HydrophobicContact CG2-CB 4.19Å
366D85.4Confident89.9Confident20 Ų2041 Ų4111%0.10718%0.18CC..  trans-60.7143.6173.4-168.43.8000112.6C314 R317 K330 A368 L369 R370C314-D366 PolarHBondContact O-N 2.92Å; R317-D366 IonicContact CZ-OD2 2.71Å; R317-D366 IonicContact NE-OD2 3.41Å; R317-D366 PolarHBondContact NE-OD2 2.96Å; R317-D366 IonicContact NH2-OD2 3.63Å; K330-D366 WeakPolarHBondContact CE-OD2 3.49Å; K330-D366 VanDerWaalsContact NZ-CB 3.25Å; K330-D366 IonicContact NZ-OD2 3.16Å; K330-D366 PolarHBondContact NZ-OD2 2.82Å; D366-A368 PolarHBondContact O-N 2.94Å; D366-L369 PolarHBondContact O-N 3.37Å; D366-R370 PolarHBondContact O-N 3.28Å
367E87.1Confident89.9Confident135 Ų13541 Ų4163%0.63118%0.18SC*.Hα-helixtrans-56.4-38.3-179.2-176.2-176.3164.900112.1L369 R370 R371E367-L369 VanDerWaalsContact C-N 3.31Å; E367-L369 PolarHBondContact O-N 3.22Å; E367-R370 PolarHBondContact O-N 2.96Å; E367-R371 PolarHBondContact O-N 2.82Å
368A87.4Confident89.8Confident25 Ų2543.5 Ų43.521%0.20719%0.19CC..Hα-helixtrans-59-42.4178.600000112L334 D366 R372L334-A368 HydrophobicContact CD1-CB 3.9Å; L334-A368 HydrophobicContact CD2-CB 4.34Å; D366-A368 PolarHBondContact O-N 2.94Å; A368-R372 WeakPolarHBondContact O-CD 3.28Å; A368-R372 PolarHBondContact O-NH1 2.59Å
369L87.2Confident89.8Confident0 Ų043.5 Ų43.50%019%0.19CC..Hα-helixtrans-76-42.4179.1-174.170.5000111.1I310 C314 L334 M337 I365 D366 E367 R371 R372 L373I310-L369 HydrophobicContact CD1-CD1 4.48Å; I310-L369 HydrophobicContact CD1-CD2 3.62Å; I310-L369 HydrophobicContact CG1-CD2 3.74Å; C314-L369 HydrophobicContact CB-CD2 3.48Å; C314-L369 VanDerWaalsContact CB-CD2 3.48Å; L334-L369 HydrophobicContact CD2-CB 4.03Å; L334-L369 HydrophobicContact CD2-CD1 3.79Å; M337-L369 HydrophobicContact CE-CD1 4.27Å; M337-L369 HydrophobicContact SD-CD1 3.55Å; M337-L369 VanDerWaalsContact SD-CD1 3.55Å; I365-L369 HydrophobicContact CG2-CB 4.14Å; I365-L369 HydrophobicContact CG2-CD2 4.08Å; I365-L369 HydrophobicContact CG2-CG 4.42Å; D366-L369 PolarHBondContact O-N 3.37Å; E367-L369 VanDerWaalsContact C-N 3.31Å; E367-L369 PolarHBondContact O-N 3.22Å; L369-R371 PolarHBondContact O-N 2.78Å; L369-R371 VanDerWaalsContact O-N 3.12Å; L369-R372 PolarHBondContact O-N 3.05Å; L369-L373 HydrophobicContact CD1-CD1 4.47Å; L369-L373 HydrophobicContact CD2-CD1 4.12Å; L369-L373 HydrophobicContact CG-CD1 3.84Å; L369-L373 HydrophobicContact CG-CG 4.45Å; L369-L373 PolarHBondContact O-N 3.15Å
370R88.3Confident89.8Confident52 Ų5246 Ų4620%0.19621%0.206CC..Hα-helixtrans-53.9-32.6174-175.7173.855.4174.9-3.9111.9I365 D366 E367 R376 F488I365-R370 HydrophobicContact CG2-CB 4.19Å; D366-R370 PolarHBondContact O-N 3.28Å; E367-R370 PolarHBondContact O-N 2.96Å; R370-R376 PolarHBondContact O-NH1 3.46Å; R370-F488 VanDerWaalsContact NH1-CD1 3.3Å; R370-F488 VanDerWaalsContact NH1-CE2 3.31Å
371R87.9Confident89.8Confident201 Ų20145.9 Ų45.976%0.75821%0.205SC*.Hα-helixtrans-69-33.4174.7-174.1172.8177.8148.7-0.7114.2E367 L369E367-R371 PolarHBondContact O-N 2.82Å; L369-R371 PolarHBondContact O-N 2.78Å; L369-R371 VanDerWaalsContact O-N 3.12Å
372R88Confident89.9Confident58 Ų5842.3 Ų42.322%0.21919%0.191CC..Hα-helixtrans-79.4-28.5176.9-77.885177.9161.31.4112.5M337 D338 A368 L369 E374M337-R372 HydrophobicContact CB-CB 4.43Å; M337-R372 HydrophobicContact CB-CG 4.15Å; M337-R372 HydrophobicContact CE-CB 3.72Å; M337-R372 HydrophobicContact SD-CB 4.35Å; D338-R372 WeakPolarHBondContact OD1-CG 3.41Å; D338-R372 IonicContact OD1-CZ 2.95Å; D338-R372 IonicContact OD1-NE 3.55Å; D338-R372 PolarHBondContact OD1-NE 3.06Å; D338-R372 IonicContact OD1-NH2 2.93Å; D338-R372 IonicContact OD2-CZ 3.62Å; D338-R372 IonicContact OD2-NE 3.59Å; D338-R372 PolarHBondContact OD2-NE 3.15Å; D338-R372 IonicContact OD2-NH2 2.87Å; D338-R372 PolarHBondContact OD2-NH2 3.23Å; A368-R372 WeakPolarHBondContact O-CD 3.28Å; A368-R372 PolarHBondContact O-NH1 2.59Å; L369-R372 PolarHBondContact O-N 3.05Å; R372-E374 VanDerWaalsContact C-N 3.27Å; R372-E374 PolarHBondContact O-N 2.7Å; R372-E374 VanDerWaalsContact O-N 3.08Å
373L89.1Confident89.9Confident0 Ų044.9 Ų44.90%021%0.209CC..  trans-84.174.8174-63.3169.1000109.3L246 I310 M337 A357 L369 R376L246-L373 HydrophobicContact CB-CB 3.93Å; L246-L373 HydrophobicContact CB-CD1 4.04Å; L246-L373 HydrophobicContact CB-CD2 4.4Å; L246-L373 HydrophobicContact CB-CG 4.34Å; L246-L373 HydrophobicContact CD1-CD1 4.08Å; L246-L373 HydrophobicContact CD2-CD1 4.14Å; L246-L373 HydrophobicContact CG-CD1 4.3Å; I310-L373 HydrophobicContact CD1-CD1 4.45Å; M337-L373 HydrophobicContact CE-CD2 3.81Å; M337-L373 HydrophobicContact CE-CG 4.21Å; A357-L373 HydrophobicContact CB-CD1 4.18Å; A357-L373 HydrophobicContact CB-CD2 3.96Å; L369-L373 HydrophobicContact CD1-CD1 4.47Å; L369-L373 HydrophobicContact CD2-CD1 4.12Å; L369-L373 HydrophobicContact CG-CD1 3.84Å; L369-L373 HydrophobicContact CG-CG 4.45Å; L369-L373 PolarHBondContact O-N 3.15Å; L373-R376 VanDerWaalsContact O-CZ 3.29Å; L373-R376 PolarHBondContact O-NH1 2.85Å; L373-R376 VanDerWaalsContact O-NH1 3.12Å
374E87.8Confident89.9Confident40 Ų4044.3 Ų44.319%0.18722%0.22CC..  trans-64-45.7-171.5-67173.6154.700111.8R240 W242 G244 R372 R376 S490R240-E374 IonicContact CZ-OE1 3.93Å; R240-E374 IonicContact NH1-OE1 2.61Å; R240-E374 IonicContact NH1-OE2 3.94Å; R240-E374 IonicContact NH2-OE1 2.8Å; R240-E374 PolarHBondContact NH2-OE1 3.38Å; W242-E374 HydrophobicContact CE3-CB 3.45Å; W242-E374 VanDerWaalsContact CE3-CB 3.45Å; W242-E374 HydrophobicContact CE3-CG 4.31Å; W242-E374 HydrophobicContact CZ3-CB 3.81Å; G244-E374 PolarHBondContact O-N 3Å; R372-E374 VanDerWaalsContact C-N 3.27Å; R372-E374 PolarHBondContact O-N 2.7Å; R372-E374 VanDerWaalsContact O-N 3.08Å; E374-R376 PolarHBondContact O-NH2 3.13Å; E374-S490 PolarHBondContact O-OG 2.93Å
375K90.4Very high90Very high22 Ų2247.9 Ų47.910%0.09623%0.232CC..EExtended strand (participates in β ladder)trans-94124.5178.4-169.667.3174.81700110.1W242 G244 V245 L246 I377 S490 C491W242-K375 HydrophobicContact CB-CB 4.47Å; W242-K375 HydrophobicContact CD2-CB 4.37Å; W242-K375 HydrophobicContact CG-CB 4.19Å; G244-K375 PolarHBondContact O-N 2.89Å; V245-K375 CarbonylContact C-O 3.53Å; V245-K375 WeakPolarHBondContact CA-O 3.45Å; V245-K375 HydrophobicContact CG1-CB 4.34Å; V245-K375 HydrophobicContact CG1-CG 4.41Å; V245-K375 HydrophobicContact CG2-CB 4.29Å; L246-K375 PolarHBondContact N-O 3.24Å; K375-I377 HydrophobicContact CG-CD1 4.35Å; K375-I377 HydrophobicContact CG-CG1 4.1Å; K375-S490 WeakPolarHBondContact CE-O 3.33Å; K375-S490 PolarHBondContact NZ-O 2.79Å; K375-C491 PolarHBondContact NZ-OXT 3.31Å
376R92.8Very high90.2Very high40 Ų4047.4 Ų47.415%0.15123%0.23CC..EExtended strand (participates in β ladder)trans-119.6115.8-179.5-74.2159.9-90.6-103.4-8.2109.4L246 R370 L373 E374 W484 F488 S490L246-R376 HydrophobicContact CB-CG 4.27Å; L246-R376 HydrophobicContact CD2-CG 4.3Å; L246-R376 CarbonylContact O-C 3.58Å; L246-R376 WeakPolarHBondContact O-CA 3.45Å; R370-R376 PolarHBondContact O-NH1 3.46Å; L373-R376 VanDerWaalsContact O-CZ 3.29Å; L373-R376 PolarHBondContact O-NH1 2.85Å; L373-R376 VanDerWaalsContact O-NH1 3.12Å; E374-R376 PolarHBondContact O-NH2 3.13Å; R376-W484 HydrophobicContact CG-CH2 4.43Å; R376-F488 WeakPolarHBondContact CD-O 3.47Å; R376-F488 PolarHBondContact NE-O 3.5Å; R376-S490 PolarHBondContact NE-OG 2.99Å
377I92.7Very high90.6Very high1 Ų147.5 Ų47.51%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-112.9121.9-174.3-56178000108.3A217 L220 L221 V245 L246 M247 V248 K375 I379A217-I377 HydrophobicContact CB-CG2 3.89Å; L220-I377 HydrophobicContact CB-CD1 3.85Å; L220-I377 HydrophobicContact CB-CG1 4.25Å; L220-I377 HydrophobicContact CD1-CG1 4.47Å; L220-I377 HydrophobicContact CD1-CG2 4.23Å; L221-I377 HydrophobicContact CD2-CD1 3.65Å; L221-I377 HydrophobicContact CG-CD1 3.71Å; V245-I377 HydrophobicContact CG1-CD1 3.66Å; V245-I377 HydrophobicContact CG1-CG1 4.14Å; L246-I377 PolarHBondContact O-N 2.85Å; M247-I377 WeakPolarHBondContact CA-O 3.31Å; V248-I377 PolarHBondContact N-O 2.84Å; K375-I377 HydrophobicContact CG-CD1 4.35Å; K375-I377 HydrophobicContact CG-CG1 4.1Å; I377-I379 HydrophobicContact CG2-CD1 3.89Å
378Y93.6Very high90.9Very high53 Ų5343.6 Ų43.621%0.20821%0.211CC..EExtended strand (participates in β ladder)trans-80.1129.7172.5-178.2-129.7000110.4V248 P380 Y481 I485V248-Y378 HydrophobicContact CG2-CD2 4.25Å; V248-Y378 CarbonylContact O-C 3.39Å; V248-Y378 WeakPolarHBondContact O-CA 3.23Å; Y378-P380 HydrophobicContact CD1-CB 4.28Å; Y378-P380 HydrophobicContact CE1-CB 3.75Å; Y378-P380 WeakPolarHBondContact O-CD 3.43Å; Y378-Y481 HydrophobicContact CE2-CG 4.21Å; Y378-I485 HydrophobicContact CD2-CG1 4.03Å; Y378-I485 HydrophobicContact CG-CG1 4.03Å
379I94Very high91Very high0 Ų045.4 Ų45.40%022%0.215CC..  trans-107.599.1174.3-51.7-54.4000107.9L214 A217 M247 V248 T253 K255 L258 I377L214-I379 HydrophobicContact CD1-CG2 3.98Å; L214-I379 HydrophobicContact CD2-CG2 3.9Å; A217-I379 HydrophobicContact CB-CD1 3.42Å; A217-I379 VanDerWaalsContact CB-CD1 3.42Å; M247-I379 HydrophobicContact CB-CG1 4.21Å; V248-I379 PolarHBondContact O-N 2.77Å; T253-I379 WeakPolarHBondContact OG1-CG2 3.42Å; K255-I379 HydrophobicContact CG-CB 4.31Å; K255-I379 HydrophobicContact CG-CG1 4.05Å; L258-I379 HydrophobicContact CD1-CD1 3.57Å; L258-I379 HydrophobicContact CD1-CG1 4.17Å; L258-I379 HydrophobicContact CD1-CG2 4.35Å; I377-I379 HydrophobicContact CG2-CD1 3.89Å
380P92.7Very high91.3Very high51 Ų5147 Ų4733%0.33122%0.223SC..PPolyproline II helixtrans-72.8171.2-177.831.6-36.8000112.2L214 Y378L214-P380 HydrophobicContact CD2-CG 4.12Å; Y378-P380 HydrophobicContact CD1-CB 4.28Å; Y378-P380 HydrophobicContact CE1-CB 3.75Å; Y378-P380 WeakPolarHBondContact O-CD 3.43Å
381L93.1Very high91.5Very high27 Ų2744.5 Ų44.514%0.14121%0.213CC..PPolyproline II helixtrans-64.9152.9163-68.1176.1000110.5P250 T253 V473 I478P250-L381 HydrophobicContact CB-CD2 4.37Å; P250-L381 HydrophobicContact CG-CD2 3.82Å; P250-L381 HydrophobicContact CG-CG 4.02Å; T253-L381 HydrophobicContact CG2-CD2 4.01Å; L381-V473 HydrophobicContact CD1-CB 4.43Å; L381-V473 HydrophobicContact CD1-CG1 4.35Å; L381-V473 HydrophobicContact CD2-CG2 4.29Å; L381-I478 HydrophobicContact CD1-CD1 3.58Å; L381-I478 HydrophobicContact CD1-CG1 4.15Å
382P92.5Very high91.6Very high15 Ų1541.2 Ų41.210%0.09720%0.201CC..PPolyproline II helixtrans-61.8136.8-178.925-34.5000112.3R387 L390 Y416 I421P382-R387 HydrophobicContact CB-CG 3.92Å; P382-R387 HydrophobicContact CG-CG 3.83Å; P382-R387 PolarHBondContact O-NH1 3.14Å; P382-L390 HydrophobicContact CB-CD1 3.76Å; P382-L390 HydrophobicContact CG-CD1 3.93Å; P382-Y416 WeakPolarHBondContact CD-O 3.5Å; P382-Y416 WeakPolarHBondContact CG-O 3.46Å; P382-I421 HydrophobicContact CG-CD1 4.07Å
383S91.6Very high91.7Very high54 Ų5442 Ų4238%0.37821%0.209SC..PPolyproline II helixtrans-65168.8171.567.70000111.3D213 K385 G386 R387D213-S383 VanDerWaalsContact OD2-CB 3.26Å; D213-S383 WeakPolarHBondContact OD2-CB 3.46Å; D213-S383 PolarHBondContact OD2-N 2.81Å; D213-S383 PolarHBondContact OD2-OG 2.75Å; S383-K385 VanDerWaalsContact C-N 3.26Å; S383-K385 PolarHBondContact O-N 2.8Å; S383-G386 CarbonylContact O-C 3.56Å; S383-G386 WeakPolarHBondContact O-CA 3.31Å; S383-G386 PolarHBondContact O-N 3.3Å; S383-G386 PolarHBondContact OG-N 3.29Å; S383-G386 VanDerWaalsContact OG-N 3.08Å; S383-R387 WeakPolarHBondContact O-CG 3.15Å; S383-R387 PolarHBondContact O-N 3.16Å
384A90.8Very high91.7Very high61 Ų6143.7 Ų43.750%0.50422%0.221SC..Hα-helixtrans-53.1-44.9176.500000112.3R387 E388A384-R387 PolarHBondContact O-N 3.03Å; A384-E388 PolarHBondContact O-N 3.05Å
385K91.1Very high91.8Very high141 Ų14142.1 Ų42.161%0.61321%0.213SC*.Hα-helixtrans-65.4-40.9173.9-173.1-178.7176.2-171.10112.2S383 R387 E388 E389S383-K385 VanDerWaalsContact C-N 3.26Å; S383-K385 PolarHBondContact O-N 2.8Å; K385-R387 VanDerWaalsContact C-N 3.3Å; K385-R387 PolarHBondContact O-N 3.08Å; K385-E388 PolarHBondContact O-N 2.8Å; K385-E389 VanDerWaalsContact CE-OE1 3.32Å; K385-E389 WeakPolarHBondContact CE-OE1 3.16Å; K385-E389 IonicContact NZ-OE1 3.93Å; K385-E389 PolarHBondContact O-N 2.67Å
386G91.6Very high91.6Very high0 Ų050.1 Ų50.10%024%0.243CC..Hα-helixtrans-60.8-36.9176.500000113.3S383 E389 L390S383-G386 CarbonylContact O-C 3.56Å; S383-G386 WeakPolarHBondContact O-CA 3.31Å; S383-G386 PolarHBondContact O-N 3.3Å; S383-G386 PolarHBondContact OG-N 3.29Å; S383-G386 VanDerWaalsContact OG-N 3.08Å; G386-E389 PolarHBondContact O-N 3.32Å; G386-L390 WeakPolarHBondContact O-CB 3.48Å; G386-L390 VanDerWaalsContact O-CG 3.25Å; G386-L390 WeakPolarHBondContact O-CG 3.46Å; G386-L390 PolarHBondContact O-N 3.49Å
387R93.3Very high91.2Very high22 Ų2255.2 Ų55.28%0.08327%0.268CS..Hα-helixtrans-65.7-42.5175.9-65.8-167.6-61.9-9310.4112P382 S383 A384 K385 L390 L391 A410 M413 I421P382-R387 HydrophobicContact CB-CG 3.92Å; P382-R387 HydrophobicContact CG-CG 3.83Å; P382-R387 PolarHBondContact O-NH1 3.14Å; S383-R387 WeakPolarHBondContact O-CG 3.15Å; S383-R387 PolarHBondContact O-N 3.16Å; A384-R387 PolarHBondContact O-N 3.03Å; K385-R387 VanDerWaalsContact C-N 3.3Å; K385-R387 PolarHBondContact O-N 3.08Å; R387-L390 PolarHBondContact O-N 3.31Å; R387-L391 WeakPolarHBondContact O-CG 3.41Å; R387-L391 PolarHBondContact O-N 3.42Å; R387-A410 HydrophobicContact CB-CB 4.13Å; R387-A410 PolarHBondContact NE-O 2.88Å; R387-A410 PolarHBondContact NH2-O 3.47Å; R387-A410 VanDerWaalsContact NH2-O 3.14Å; R387-M413 WeakPolarHBondContact CD-O 3.31Å; R387-M413 PolarHBondContact NE-O 2.95Å; R387-I421 HydrophobicContact CB-CD1 4.09Å; R387-I421 HydrophobicContact CG-CD1 3.75Å
388E92.5Very high90.9Very high53 Ų5357.2 Ų57.225%0.24828%0.279CS..Hα-helixtrans-62.4-44.7175.1-168.7-172.9179.800111.7A384 K385 L390 L391 R392 A410A384-E388 PolarHBondContact O-N 3.05Å; K385-E388 PolarHBondContact O-N 2.8Å; E388-L390 PolarHBondContact O-N 3.31Å; E388-L391 PolarHBondContact O-N 3.47Å; E388-R392 VanDerWaalsContact CD-NH2 3.26Å; E388-R392 WeakPolarHBondContact O-CG 3.43Å; E388-R392 PolarHBondContact O-N 2.9Å; E388-R392 IonicContact OE1-CZ 3.42Å; E388-R392 IonicContact OE1-NE 3.73Å; E388-R392 IonicContact OE1-NH2 2.6Å; E388-R392 PolarHBondContact OE1-NH2 3.46Å; E388-R392 IonicContact OE2-NH2 3.77Å; E388-A410 HydrophobicContact CB-CB 4.2Å
389E91Very high90.5Very high62 Ų6261.1 Ų61.129%0.2930%0.299SS..Hα-helixtrans-62.1-42.5175-73.8-180-172.900111.9A212 K385 G386 L391 R392 I393A212-E389 HydrophobicContact CB-CB 3.83Å; K385-E389 VanDerWaalsContact CE-OE1 3.32Å; K385-E389 WeakPolarHBondContact CE-OE1 3.16Å; K385-E389 IonicContact NZ-OE1 3.93Å; K385-E389 PolarHBondContact O-N 2.67Å; G386-E389 PolarHBondContact O-N 3.32Å; E389-L391 VanDerWaalsContact C-N 3.34Å; E389-L391 PolarHBondContact O-N 3.12Å; E389-R392 PolarHBondContact O-N 3.38Å; E389-I393 WeakPolarHBondContact O-CG1 3.26Å; E389-I393 PolarHBondContact O-N 2.92Å
390L92Very high90.3Very high33 Ų3363.9 Ų63.917%0.17331%0.314CS..Hα-helixtrans-61.9-40175.7-77.1170.6000112.6A212 P382 G386 R387 E388 I393 S394 I421A212-L390 HydrophobicContact CB-CD2 3.63Å; A212-L390 HydrophobicContact CB-CG 3.63Å; P382-L390 HydrophobicContact CB-CD1 3.76Å; P382-L390 HydrophobicContact CG-CD1 3.93Å; G386-L390 WeakPolarHBondContact O-CB 3.48Å; G386-L390 VanDerWaalsContact O-CG 3.25Å; G386-L390 WeakPolarHBondContact O-CG 3.46Å; G386-L390 PolarHBondContact O-N 3.49Å; R387-L390 PolarHBondContact O-N 3.31Å; E388-L390 PolarHBondContact O-N 3.31Å; L390-I393 PolarHBondContact O-N 3.45Å; L390-S394 VanDerWaalsContact O-CB 3.28Å; L390-S394 WeakPolarHBondContact O-CB 3.23Å; L390-S394 PolarHBondContact O-N 3.29Å; L390-S394 PolarHBondContact O-OG 2.93Å; L390-I421 HydrophobicContact CB-CD1 4.41Å; L390-I421 HydrophobicContact CB-CG2 4.3Å; L390-I421 HydrophobicContact CD1-CD1 3.86Å
391L92.6Very high90.1Very high0 Ų062.5 Ų62.50%031%0.306CS..Hα-helixtrans-61.4-48.8174-75169.4000110.4R387 E388 E389 I393 S394 L395 L406 I409 A410 M413 I421R387-L391 WeakPolarHBondContact O-CG 3.41Å; R387-L391 PolarHBondContact O-N 3.42Å; E388-L391 PolarHBondContact O-N 3.47Å; E389-L391 VanDerWaalsContact C-N 3.34Å; E389-L391 PolarHBondContact O-N 3.12Å; L391-I393 VanDerWaalsContact C-N 3.32Å; L391-I393 PolarHBondContact O-N 3.13Å; L391-S394 PolarHBondContact O-N 3.02Å; L391-L395 HydrophobicContact CB-CD1 4.44Å; L391-L395 VanDerWaalsContact O-CB 3.26Å; L391-L395 WeakPolarHBondContact O-CB 3.37Å; L391-L395 WeakPolarHBondContact O-CG 3.34Å; L391-L395 PolarHBondContact O-N 2.94Å; L391-L406 HydrophobicContact CB-CD2 4.45Å; L391-I409 HydrophobicContact CD1-CB 4.15Å; L391-I409 HydrophobicContact CD1-CG2 3.82Å; L391-I409 HydrophobicContact CD2-CG2 4.23Å; L391-A410 HydrophobicContact CD1-CB 4.02Å; L391-M413 HydrophobicContact CD1-SD 4.24Å; L391-M413 HydrophobicContact CD2-CE 4.01Å; L391-M413 HydrophobicContact CD2-SD 3.97Å; L391-M413 HydrophobicContact CG-SD 4.37Å; L391-I421 HydrophobicContact CD2-CG2 3.74Å; L391-I421 HydrophobicContact CG-CG2 4.06Å
392R91.1Very high89.9Confident133 Ų13369.7 Ų69.750%0.50235%0.345SS..Hα-helixtrans-59.1-41.9178-69.2177.1-169.7163.2-1.7112.6E388 E389 R396 L406E388-R392 VanDerWaalsContact CD-NH2 3.26Å; E388-R392 WeakPolarHBondContact O-CG 3.43Å; E388-R392 PolarHBondContact O-N 2.9Å; E388-R392 IonicContact OE1-CZ 3.42Å; E388-R392 IonicContact OE1-NE 3.73Å; E388-R392 IonicContact OE1-NH2 2.6Å; E388-R392 PolarHBondContact OE1-NH2 3.46Å; E388-R392 IonicContact OE2-NH2 3.77Å; E389-R392 PolarHBondContact O-N 3.38Å; R392-R396 PolarHBondContact O-N 3.5Å; R392-L406 HydrophobicContact CG-CD1 3.77Å
393I89.5Confident89.8Confident74 Ų7473 Ų7338%0.37936%0.362SS..Hα-helixtrans-65.8-46177.2-67169.3000110.6A212 E389 L390 L391 L395 R396A212-I393 HydrophobicContact CB-CD1 3.97Å; E389-I393 WeakPolarHBondContact O-CG1 3.26Å; E389-I393 PolarHBondContact O-N 2.92Å; L390-I393 PolarHBondContact O-N 3.45Å; L391-I393 VanDerWaalsContact C-N 3.32Å; L391-I393 PolarHBondContact O-N 3.13Å; I393-L395 VanDerWaalsContact C-N 3.29Å; I393-L395 PolarHBondContact O-N 3.01Å; I393-R396 PolarHBondContact O-N 2.89Å
394S89.1Confident89.7Confident35 Ų3571.6 Ų71.625%0.24535%0.351CS..Hα-helixtrans-68.7-28.8-177.2-57.50000112.8L390 L391L390-S394 VanDerWaalsContact O-CB 3.28Å; L390-S394 WeakPolarHBondContact O-CB 3.23Å; L390-S394 PolarHBondContact O-N 3.29Å; L390-S394 PolarHBondContact O-OG 2.93Å; L391-S394 PolarHBondContact O-N 3.02Å
395L89.7Confident89.7Confident7 Ų772.7 Ų72.74%0.03735%0.348CS..THydrogen-bonded Turntrans-97.73-177.1-60.4173.8000113.4L391 I393 E397 L398 L400 L406 C425 F462L391-L395 HydrophobicContact CB-CD1 4.44Å; L391-L395 VanDerWaalsContact O-CB 3.26Å; L391-L395 WeakPolarHBondContact O-CB 3.37Å; L391-L395 WeakPolarHBondContact O-CG 3.34Å; L391-L395 PolarHBondContact O-N 2.94Å; I393-L395 VanDerWaalsContact C-N 3.29Å; I393-L395 PolarHBondContact O-N 3.01Å; L395-E397 PolarHBondContact O-N 2.91Å; L395-L398 HydrophobicContact CD2-CD1 3.78Å; L395-L398 PolarHBondContact O-N 3.11Å; L395-L400 HydrophobicContact CB-CD1 4.26Å; L395-L400 HydrophobicContact CB-CD2 4.44Å; L395-L400 HydrophobicContact CD1-CD1 3.97Å; L395-L400 HydrophobicContact CD1-CD2 4.09Å; L395-L400 HydrophobicContact CD2-CD2 4.26Å; L395-L400 HydrophobicContact CG-CD2 4.48Å; L395-L406 HydrophobicContact CD1-CD2 3.58Å; L395-C425 HydrophobicContact CD2-CB 3.84Å; L395-F462 HydrophobicContact CD1-CE1 4.28Å; L395-F462 HydrophobicContact CD1-CZ 3.8Å; L395-F462 HydrophobicContact CD2-CE1 4.21Å; L395-F462 HydrophobicContact CD2-CZ 3.8Å; L395-F462 HydrophobicContact CG-CZ 4.47Å
396R87Confident89.7Confident190 Ų19067.3 Ų67.372%0.71733%0.326SS*.THydrogen-bonded Turntrans-59-26.7-175.890.2175.6-170.3-177.3-0.4113.9R392 I393R392-R396 PolarHBondContact O-N 3.5Å; I393-R396 PolarHBondContact O-N 2.89Å
397E84.7Confident89.7Confident147 Ų14769.2 Ų69.269%0.68734%0.342SS*.THydrogen-bonded Turntrans-98-0.2-176.3-62-178.3179.100112.3L395L395-E397 PolarHBondContact O-N 2.91Å
398L84.9Confident89.7Confident44 Ų4470 Ų7023%0.2335%0.351CS..SBendtrans-111.6139.8-177.1-65.5175.6000110.8L395 S429L395-L398 HydrophobicContact CD2-CD1 3.78Å; L395-L398 PolarHBondContact O-N 3.11Å; L398-S429 WeakPolarHBondContact CD2-OG 3.49Å
399E85.6Confident89.6Confident135 Ų13567.5 Ų67.563%0.63134%0.339SS*.PPolyproline II helixtrans-78.2122.9168.2-62.9-175.6175.900108.6P456 T457E399-P456 HydrophobicContact CB-CB 4.5Å; E399-P456 VanDerWaalsContact O-CA 3.31Å; E399-P456 WeakPolarHBondContact O-CA 3.35Å; E399-T457 PolarHBondContact O-N 2.86Å
400L89.2Confident89.7Confident58 Ų5864.8 Ų64.830%0.30433%0.327SS..BIsolated β-bridgetrans-100.7141.9176.6-58.3178.2000108.8L395 V404 L406 F462L395-L400 HydrophobicContact CB-CD1 4.26Å; L395-L400 HydrophobicContact CB-CD2 4.44Å; L395-L400 HydrophobicContact CD1-CD1 3.97Å; L395-L400 HydrophobicContact CD1-CD2 4.09Å; L395-L400 HydrophobicContact CD2-CD2 4.26Å; L395-L400 HydrophobicContact CG-CD2 4.48Å; L400-V404 HydrophobicContact CB-CB 4.43Å; L400-V404 HydrophobicContact CB-CG2 4.43Å; L400-V404 HydrophobicContact CD1-CG1 4.42Å; L400-L406 HydrophobicContact CD1-CD2 4.23Å; L400-F462 HydrophobicContact CD2-CE2 4.09Å; L400-F462 HydrophobicContact CD2-CZ 4.13Å
401A89Confident89.7Confident21 Ų2170.1 Ų70.117%0.17435%0.351CS..PPolyproline II helixtrans-74156.3170.400000110.9D403 V404 P456 T457 T458A401-D403 WeakPolarHBondContact CB-OD1 3.35Å; A401-D403 PolarHBondContact O-N 2.96Å; A401-D403 VanDerWaalsContact O-N 3.1Å; A401-V404 WeakPolarHBondContact O-CB 3.33Å; A401-V404 WeakPolarHBondContact O-CG2 3.28Å; A401-V404 PolarHBondContact O-N 2.89Å; A401-V404 VanDerWaalsContact O-N 3.12Å; A401-P456 HydrophobicContact CB-CB 4.22Å; A401-T457 PolarHBondContact N-O 3.46Å; A401-T458 HydrophobicContact CB-CG2 4.08Å
402D88.6Confident89.7Confident179 Ų17975.2 Ų75.296%0.95738%0.378SS*.THydrogen-bonded Turntrans-64.5-15-175.4-64.4-37.2000113.6V404D402-V404 VanDerWaalsContact C-N 3.32Å
403D90.4Very high89.7Confident85 Ų8568.9 Ų68.946%0.45535%0.354SS..THydrogen-bonded Turntrans-79.8-10.2177.467.6-38.7000113.6A401 D405 M459A401-D403 WeakPolarHBondContact CB-OD1 3.35Å; A401-D403 PolarHBondContact O-N 2.96Å; A401-D403 VanDerWaalsContact O-N 3.1Å; D403-D405 PolarHBondContact O-N 2.96Å; D403-M459 VanDerWaalsContact OD2-CB 3.27Å; D403-M459 WeakPolarHBondContact OD2-CB 3.37Å; D403-M459 PolarHBondContact OD2-N 3.05Å
404V89.2Confident89.8Confident23 Ų2372.4 Ų72.414%0.13937%0.369CS..  trans-81.2108.1-174.3-179.40000111.2L400 A401 D402 L406 I409 T457 F462L400-V404 HydrophobicContact CB-CB 4.43Å; L400-V404 HydrophobicContact CB-CG2 4.43Å; L400-V404 HydrophobicContact CD1-CG1 4.42Å; A401-V404 WeakPolarHBondContact O-CB 3.33Å; A401-V404 WeakPolarHBondContact O-CG2 3.28Å; A401-V404 PolarHBondContact O-N 2.89Å; A401-V404 VanDerWaalsContact O-N 3.12Å; D402-V404 VanDerWaalsContact C-N 3.32Å; V404-L406 HydrophobicContact CG1-CD2 4.05Å; V404-I409 HydrophobicContact CG1-CD1 3.86Å; V404-T457 WeakPolarHBondContact CG2-O 3.46Å; V404-F462 HydrophobicContact CG1-CD2 4.15Å; V404-F462 HydrophobicContact CG1-CE2 3.85Å; V404-F462 HydrophobicContact CG2-CD2 4.38Å; V404-F462 HydrophobicContact CG2-CE2 4.24Å
405D91.7Very high89.9Confident84 Ų8471.6 Ų71.645%0.44937%0.367SS..  trans-95.7105.9169.7179.226.6000111.9D403 A407 S408 I409D403-D405 PolarHBondContact O-N 2.96Å; D405-A407 PolarHBondContact O-N 3.05Å; D405-A407 WeakPolarHBondContact OD1-CB 3.3Å; D405-A407 PolarHBondContact OD1-N 3.2Å; D405-A407 VanDerWaalsContact OD1-N 3.07Å; D405-S408 PolarHBondContact O-N 3Å; D405-S408 WeakPolarHBondContact OD2-CB 3.48Å; D405-S408 PolarHBondContact OD2-N 2.96Å; D405-S408 VanDerWaalsContact OD2-N 3.08Å; D405-I409 WeakPolarHBondContact O-CG1 3.4Å; D405-I409 PolarHBondContact O-N 2.81Å
406L91.3Very high90Very high29 Ų2972.4 Ų72.415%0.15237%0.37CS..Hα-helixtrans-63.9-28.2178.7-61-177.9000113L391 R392 L395 L400 V404 A410L391-L406 HydrophobicContact CB-CD2 4.45Å; R392-L406 HydrophobicContact CG-CD1 3.77Å; L395-L406 HydrophobicContact CD1-CD2 3.58Å; L400-L406 HydrophobicContact CD1-CD2 4.23Å; V404-L406 HydrophobicContact CG1-CD2 4.05Å; L406-A410 VanDerWaalsContact O-CB 3.32Å; L406-A410 WeakPolarHBondContact O-CB 3.46Å; L406-A410 PolarHBondContact O-N 3.49Å
407A91.7Very high90.4Very high39 Ų3963.4 Ų63.432%0.32234%0.336SS..Hα-helixtrans-69.7-48.4179.700000110.7D405 I409 A410 E411D405-A407 PolarHBondContact O-N 3.05Å; D405-A407 WeakPolarHBondContact OD1-CB 3.3Å; D405-A407 PolarHBondContact OD1-N 3.2Å; D405-A407 VanDerWaalsContact OD1-N 3.07Å; A407-I409 VanDerWaalsContact C-N 3.32Å; A407-I409 PolarHBondContact O-N 3.24Å; A407-A410 PolarHBondContact O-N 3.3Å; A407-E411 PolarHBondContact O-N 3.44Å
408S92Very high90.7Very high39 Ų3957 Ų5727%0.27331%0.309SS..Hα-helixtrans-55.3-44.9172.7174.10000112.6D405 A410 E411 N412D405-S408 PolarHBondContact O-N 3Å; D405-S408 WeakPolarHBondContact OD2-CB 3.48Å; D405-S408 PolarHBondContact OD2-N 2.96Å; D405-S408 VanDerWaalsContact OD2-N 3.08Å; S408-A410 PolarHBondContact O-N 3.23Å; S408-E411 PolarHBondContact O-N 2.85Å; S408-N412 PolarHBondContact O-N 3.24Å; S408-N412 PolarHBondContact O-ND2 3.27Å
409I92Very high91.1Very high0 Ų056.8 Ų56.80%031%0.313CS..Hα-helixtrans-63.4-43.9178.2-63.7168.7000110.5L391 V404 D405 A407 E411 N412 M413 M459 F462L391-I409 HydrophobicContact CD1-CB 4.15Å; L391-I409 HydrophobicContact CD1-CG2 3.82Å; L391-I409 HydrophobicContact CD2-CG2 4.23Å; V404-I409 HydrophobicContact CG1-CD1 3.86Å; D405-I409 WeakPolarHBondContact O-CG1 3.4Å; D405-I409 PolarHBondContact O-N 2.81Å; A407-I409 VanDerWaalsContact C-N 3.32Å; A407-I409 PolarHBondContact O-N 3.24Å; I409-E411 VanDerWaalsContact C-N 3.31Å; I409-E411 PolarHBondContact O-N 3.36Å; I409-N412 PolarHBondContact O-N 3.48Å; I409-M413 HydrophobicContact CG2-CE 3.47Å; I409-M413 VanDerWaalsContact CG2-CE 3.47Å; I409-M413 HydrophobicContact CG2-CG 4.44Å; I409-M413 HydrophobicContact CG2-SD 3.88Å; I409-M413 VanDerWaalsContact O-CG 3.3Å; I409-M413 WeakPolarHBondContact O-CG 3.49Å; I409-M413 PolarHBondContact O-N 3.45Å; I409-M413 VanDerWaalsContact O-N 3.16Å; I409-M459 HydrophobicContact CD1-CE 4.46Å; I409-M459 HydrophobicContact CD1-SD 3.82Å; I409-M459 HydrophobicContact CG1-CE 3.84Å; I409-M459 HydrophobicContact CG1-SD 3.88Å; I409-F462 HydrophobicContact CD1-CB 4Å; I409-F462 HydrophobicContact CD1-CD1 4.08Å; I409-F462 HydrophobicContact CD1-CD2 3.87Å; I409-F462 HydrophobicContact CD1-CE2 4.36Å; I409-F462 HydrophobicContact CD1-CG 3.72Å
410A92.9Very high91.5Very high5 Ų551 Ų514%0.04129%0.287CS..Hα-helixtrans-63.5-33.6179.400000112.9R387 E388 L391 L406 A407 S408 M413R387-A410 HydrophobicContact CB-CB 4.13Å; R387-A410 PolarHBondContact NE-O 2.88Å; R387-A410 PolarHBondContact NH2-O 3.47Å; R387-A410 VanDerWaalsContact NH2-O 3.14Å; E388-A410 HydrophobicContact CB-CB 4.2Å; L391-A410 HydrophobicContact CD1-CB 4.02Å; L406-A410 VanDerWaalsContact O-CB 3.32Å; L406-A410 WeakPolarHBondContact O-CB 3.46Å; L406-A410 PolarHBondContact O-N 3.49Å; A407-A410 PolarHBondContact O-N 3.3Å; S408-A410 PolarHBondContact O-N 3.23Å; A410-M413 PolarHBondContact O-N 2.62Å
411E92.6Very high91.7Very high145 Ų14548.2 Ų48.268%0.67827%0.272SS*.Hα-helixtrans-66.1-44.7174-73.3-176.917800111.7A407 S408 I409 M413 E414A407-E411 PolarHBondContact O-N 3.44Å; S408-E411 PolarHBondContact O-N 2.85Å; I409-E411 VanDerWaalsContact C-N 3.31Å; I409-E411 PolarHBondContact O-N 3.36Å; E411-M413 PolarHBondContact O-N 3.04Å; E411-E414 PolarHBondContact O-N 2.78Å
412N91.4Very high91.9Very high107 Ų10749.1 Ų49.157%0.57228%0.276SS*.Hα-helixtrans-67.4-18.5178.3-71.7-30.8000113.8S408 I409 E414 L466S408-N412 PolarHBondContact O-N 3.24Å; S408-N412 PolarHBondContact O-ND2 3.27Å; I409-N412 PolarHBondContact O-N 3.48Å; N412-E414 VanDerWaalsContact C-N 3.29Å; N412-E414 PolarHBondContact O-N 2.98Å; N412-L466 HydrophobicContact CB-CD1 4.25Å
413M91.4Very high92.2Very high0 Ų043.8 Ų43.80%025%0.247CC..THydrogen-bonded Turntrans-88.624.7179-71.3179.317200114R387 L391 I409 A410 E411 G415 Y416 I421 V424 L466R387-M413 WeakPolarHBondContact CD-O 3.31Å; R387-M413 PolarHBondContact NE-O 2.95Å; L391-M413 HydrophobicContact CD1-SD 4.24Å; L391-M413 HydrophobicContact CD2-CE 4.01Å; L391-M413 HydrophobicContact CD2-SD 3.97Å; L391-M413 HydrophobicContact CG-SD 4.37Å; I409-M413 HydrophobicContact CG2-CE 3.47Å; I409-M413 VanDerWaalsContact CG2-CE 3.47Å; I409-M413 HydrophobicContact CG2-CG 4.44Å; I409-M413 HydrophobicContact CG2-SD 3.88Å; I409-M413 VanDerWaalsContact O-CG 3.3Å; I409-M413 WeakPolarHBondContact O-CG 3.49Å; I409-M413 PolarHBondContact O-N 3.45Å; I409-M413 VanDerWaalsContact O-N 3.16Å; A410-M413 PolarHBondContact O-N 2.62Å; E411-M413 PolarHBondContact O-N 3.04Å; M413-G415 PolarHBondContact O-N 3.35Å; M413-Y416 VanDerWaalsContact C-CD2 3.47Å; M413-Y416 HydrophobicContact CB-CD2 4.14Å; M413-Y416 HydrophobicContact CB-CG 4.14Å; M413-Y416 HydrophobicContact CG-CG 4.46Å; M413-Y416 WeakPolarHBondContact O-CB 3.39Å; M413-Y416 VanDerWaalsContact O-CD2 3.3Å; M413-Y416 WeakPolarHBondContact O-CD2 3.15Å; M413-Y416 PolarHBondContact O-N 3.19Å; M413-Y416 VanDerWaalsContact O-N 3.16Å; M413-I421 HydrophobicContact SD-CB 4.48Å; M413-I421 HydrophobicContact SD-CG1 3.96Å; M413-I421 HydrophobicContact SD-CG2 4.13Å; M413-V424 HydrophobicContact CE-CB 3.7Å; M413-V424 HydrophobicContact CE-CG1 3.37Å; M413-V424 HydrophobicContact CE-CG2 4.04Å; M413-L466 HydrophobicContact CE-CD2 3.68Å; M413-L466 HydrophobicContact CE-CG 4.44Å; M413-L466 HydrophobicContact CG-CD2 3.74Å
414E91.3Very high92.3Very high148 Ų14839.7 Ų39.769%0.69223%0.225SC*.THydrogen-bonded Turntrans-60125.5177.5-168.1178.8-173.100112.2E411 N412E411-E414 PolarHBondContact O-N 2.78Å; N412-E414 VanDerWaalsContact C-N 3.29Å; N412-E414 PolarHBondContact O-N 2.98Å
415G90.7Very high92.5Very high19 Ų1938.8 Ų38.820%0.19622%0.22CC..THydrogen-bonded Turntrans84.73.9-17900000115.3M413M413-G415 PolarHBondContact O-N 3.35Å
416Y93.5Very high92.6Very high24 Ų2442 Ų429%0.09423%0.225CC..  trans-76.1141.7175.2-77.4-121.4000111P382 M413 D420 V424 L466 V469 K471P382-Y416 WeakPolarHBondContact CD-O 3.5Å; P382-Y416 WeakPolarHBondContact CG-O 3.46Å; M413-Y416 VanDerWaalsContact C-CD2 3.47Å; M413-Y416 HydrophobicContact CB-CD2 4.14Å; M413-Y416 HydrophobicContact CB-CG 4.14Å; M413-Y416 HydrophobicContact CG-CG 4.46Å; M413-Y416 WeakPolarHBondContact O-CB 3.39Å; M413-Y416 VanDerWaalsContact O-CD2 3.3Å; M413-Y416 WeakPolarHBondContact O-CD2 3.15Å; M413-Y416 PolarHBondContact O-N 3.19Å; M413-Y416 VanDerWaalsContact O-N 3.16Å; Y416-D420 HydrophobicContact CD1-CB 3.6Å; Y416-D420 HydrophobicContact CE1-CB 4.47Å; Y416-D420 HydrophobicContact CG-CB 4.22Å; Y416-V424 HydrophobicContact CD1-CG2 4.39Å; Y416-V424 HydrophobicContact CE1-CG2 4.04Å; Y416-L466 HydrophobicContact CE1-CD2 4.43Å; Y416-V469 HydrophobicContact CE1-CG1 4.47Å; Y416-V469 PolarHBondContact OH-O 3.02Å; Y416-K471 HydrophobicContact CD2-CB 4.12Å; Y416-K471 HydrophobicContact CE2-CB 4.16Å
417S93.6Very high92.7Very high1 Ų141.8 Ų41.81%0.00723%0.225CC..  trans-77.6165168.772.90000111.1A419 D420 I421S417-A419 PolarHBondContact O-N 3.42Å; S417-D420 WeakPolarHBondContact CB-OD2 3.24Å; S417-D420 PolarHBondContact N-OD2 2.98Å; S417-D420 PolarHBondContact O-N 3.43Å; S417-D420 PolarHBondContact OG-N 2.93Å; S417-D420 VanDerWaalsContact OG-N 3.15Å; S417-D420 PolarHBondContact OG-OD1 3.07Å; S417-D420 PolarHBondContact OG-OD2 2.77Å; S417-I421 WeakPolarHBondContact O-CG1 3.31Å; S417-I421 PolarHBondContact O-N 3.4Å
418G92.2Very high92.7Very high12 Ų1239.9 Ų39.912%0.12421%0.209CC..Hα-helixtrans-60.3-33.4174.900000112.8G252 T422G252-G418 WeakPolarHBondContact O-CA 3.23Å; G252-G418 PolarHBondContact O-N 3.22Å; G418-T422 WeakPolarHBondContact O-CB 2.97Å; G418-T422 PolarHBondContact O-N 3.1Å; G418-T422 PolarHBondContact O-OG1 3.44Å
419A92.5Very high92.7Very high39 Ų3939.5 Ų39.532%0.32221%0.207SC..Hα-helixtrans-66.4-40.7172.500000112.3G252 S417 T422 N423G252-A419 PolarHBondContact O-N 3.2Å; S417-A419 PolarHBondContact O-N 3.42Å; A419-T422 PolarHBondContact O-N 3.11Å; A419-N423 WeakPolarHBondContact O-CB 3.31Å; A419-N423 PolarHBondContact O-N 3.12Å; A419-N423 PolarHBondContact O-ND2 3.07Å
420D94.6Very high92.5Very high14 Ų1443 Ų438%0.07523%0.225CC..Hα-helixtrans-64.6-44.7177.7-57.9-35.8000110.9Y416 S417 T422 N423 V424 S472Y416-D420 HydrophobicContact CD1-CB 3.6Å; Y416-D420 HydrophobicContact CE1-CB 4.47Å; Y416-D420 HydrophobicContact CG-CB 4.22Å; S417-D420 WeakPolarHBondContact CB-OD2 3.24Å; S417-D420 PolarHBondContact N-OD2 2.98Å; S417-D420 PolarHBondContact O-N 3.43Å; S417-D420 PolarHBondContact OG-N 2.93Å; S417-D420 VanDerWaalsContact OG-N 3.15Å; S417-D420 PolarHBondContact OG-OD1 3.07Å; S417-D420 PolarHBondContact OG-OD2 2.77Å; D420-T422 VanDerWaalsContact C-N 3.34Å; D420-T422 PolarHBondContact O-N 3.09Å; D420-N423 WeakPolarHBondContact O-CB 3.46Å; D420-N423 PolarHBondContact O-N 3.24Å; D420-N423 VanDerWaalsContact O-N 3.12Å; D420-V424 WeakPolarHBondContact O-CG2 3.49Å; D420-V424 PolarHBondContact O-N 3.26Å; D420-S472 WeakPolarHBondContact OD1-CB 3.42Å; D420-S472 PolarHBondContact OD1-OG 2.61Å; D420-S472 PolarHBondContact OD2-N 3.24Å; D420-S472 PolarHBondContact OD2-OG 3.07Å
421I93.9Very high92.4Very high0 Ų043.2 Ų43.20%023%0.225CC..Hα-helixtrans-59.4-46.4176-64168.6000110.4P382 R387 L390 L391 M413 S417 N423 V424 C425P382-I421 HydrophobicContact CG-CD1 4.07Å; R387-I421 HydrophobicContact CB-CD1 4.09Å; R387-I421 HydrophobicContact CG-CD1 3.75Å; L390-I421 HydrophobicContact CB-CD1 4.41Å; L390-I421 HydrophobicContact CB-CG2 4.3Å; L390-I421 HydrophobicContact CD1-CD1 3.86Å; L391-I421 HydrophobicContact CD2-CG2 3.74Å; L391-I421 HydrophobicContact CG-CG2 4.06Å; M413-I421 HydrophobicContact SD-CB 4.48Å; M413-I421 HydrophobicContact SD-CG1 3.96Å; M413-I421 HydrophobicContact SD-CG2 4.13Å; S417-I421 WeakPolarHBondContact O-CG1 3.31Å; S417-I421 PolarHBondContact O-N 3.4Å; I421-N423 VanDerWaalsContact C-N 3.27Å; I421-N423 PolarHBondContact O-N 2.96Å; I421-V424 PolarHBondContact O-N 3Å; I421-V424 VanDerWaalsContact O-N 3.16Å; I421-C425 PolarHBondContact O-N 3.44Å; I421-C425 PolarHBondContact O-SG 2.84Å; I421-C425 VanDerWaalsContact O-SG 3.34Å
422T92.8Very high92.1Very high39 Ų3936.4 Ų36.424%0.23919%0.194CC..Hα-helixtrans-60.3-39.5176.7-53.40000111.3G418 A419 D420 C425 R426G418-T422 WeakPolarHBondContact O-CB 2.97Å; G418-T422 PolarHBondContact O-N 3.1Å; G418-T422 PolarHBondContact O-OG1 3.44Å; A419-T422 PolarHBondContact O-N 3.11Å; D420-T422 VanDerWaalsContact C-N 3.34Å; D420-T422 PolarHBondContact O-N 3.09Å; T422-C425 PolarHBondContact O-N 2.81Å; T422-R426 VanDerWaalsContact O-CG 3.3Å; T422-R426 WeakPolarHBondContact O-CG 3.5Å; T422-R426 PolarHBondContact O-N 3.25Å
423N94Very high91.8Very high67 Ų6734.3 Ų34.336%0.35818%0.181SC..Hα-helixtrans-67.7-36.9177-72.6-24.8000112.3A419 D420 I421 R426 D427 V469A419-N423 WeakPolarHBondContact O-CB 3.31Å; A419-N423 PolarHBondContact O-N 3.12Å; A419-N423 PolarHBondContact O-ND2 3.07Å; D420-N423 WeakPolarHBondContact O-CB 3.46Å; D420-N423 PolarHBondContact O-N 3.24Å; D420-N423 VanDerWaalsContact O-N 3.12Å; I421-N423 VanDerWaalsContact C-N 3.27Å; I421-N423 PolarHBondContact O-N 2.96Å; N423-R426 PolarHBondContact O-N 3.27Å; N423-R426 PolarHBondContact OD1-NH1 2.84Å; N423-D427 PolarHBondContact O-N 2.66Å; N423-V469 HydrophobicContact CB-CG1 4.49Å
424V94.3Very high91.6Very high0 Ų040.5 Ų40.50%020%0.204CC..Hα-helixtrans-62.4-47.6172.61760000110.5M413 Y416 D420 I421 R426 D427 A428 F462 A465 L466 V469M413-V424 HydrophobicContact CE-CB 3.7Å; M413-V424 HydrophobicContact CE-CG1 3.37Å; M413-V424 HydrophobicContact CE-CG2 4.04Å; Y416-V424 HydrophobicContact CD1-CG2 4.39Å; Y416-V424 HydrophobicContact CE1-CG2 4.04Å; D420-V424 WeakPolarHBondContact O-CG2 3.49Å; D420-V424 PolarHBondContact O-N 3.26Å; I421-V424 PolarHBondContact O-N 3Å; I421-V424 VanDerWaalsContact O-N 3.16Å; V424-R426 VanDerWaalsContact C-N 3.29Å; V424-R426 PolarHBondContact O-N 3.3Å; V424-D427 PolarHBondContact O-N 2.79Å; V424-A428 WeakPolarHBondContact O-CB 2.93Å; V424-A428 PolarHBondContact O-N 2.63Å; V424-F462 HydrophobicContact CG1-CD1 4.4Å; V424-A465 HydrophobicContact CG1-CB 3.91Å; V424-L466 HydrophobicContact CG1-CD2 4.15Å; V424-L466 HydrophobicContact CG1-CG 4.24Å; V424-L466 HydrophobicContact CG2-CD2 4.26Å; V424-V469 HydrophobicContact CG2-CB 3.75Å; V424-V469 HydrophobicContact CG2-CG1 3.81Å; V424-V469 HydrophobicContact CG2-CG2 4.14Å
425C93.1Very high91.3Very high3 Ų337.8 Ų37.82%0.0219%0.188CC..Hα-helixtrans-58.3-41.6176.4-64.60000112.1L395 I421 T422 S429L395-C425 HydrophobicContact CD2-CB 3.84Å; I421-C425 PolarHBondContact O-N 3.44Å; I421-C425 PolarHBondContact O-SG 2.84Å; I421-C425 VanDerWaalsContact O-SG 3.34Å; T422-C425 PolarHBondContact O-N 2.81Å; C425-S429 WeakPolarHBondContact O-CB 3.37Å; C425-S429 PolarHBondContact O-N 2.75Å
426R92.9Very high91Very high151 Ų15139.8 Ų39.857%0.5719%0.19SC*.Hα-helixtrans-64.8-45.8176.2-72.5175.3-164.1165.34.8112.3T422 N423 V424 S429 L430T422-R426 VanDerWaalsContact O-CG 3.3Å; T422-R426 WeakPolarHBondContact O-CG 3.5Å; T422-R426 PolarHBondContact O-N 3.25Å; N423-R426 PolarHBondContact O-N 3.27Å; N423-R426 PolarHBondContact OD1-NH1 2.84Å; V424-R426 VanDerWaalsContact C-N 3.29Å; V424-R426 PolarHBondContact O-N 3.3Å; R426-S429 PolarHBondContact O-N 2.9Å; R426-L430 WeakPolarHBondContact O-CB 3.45Å; R426-L430 VanDerWaalsContact O-CG 3.29Å; R426-L430 WeakPolarHBondContact O-CG 3.35Å; R426-L430 PolarHBondContact O-N 3.37Å
427D93.4Very high90.6Very high25 Ų2540.9 Ų40.913%0.13420%0.197CC..Hα-helixtrans-67-39.7-179.9-167.447.7000111.1N423 V424 L430 M431 R434 A465N423-D427 PolarHBondContact O-N 2.66Å; V424-D427 PolarHBondContact O-N 2.79Å; D427-L430 CarbonylContact O-C 3.57Å; D427-L430 PolarHBondContact O-N 3.33Å; D427-M431 WeakPolarHBondContact O-CG 3.24Å; D427-M431 PolarHBondContact O-N 2.88Å; D427-M431 WeakPolarHBondContact OD2-CE 3.45Å; D427-R434 IonicContact OD1-NH1 3.41Å; D427-R434 PolarHBondContact OD1-NH1 3.1Å; D427-A465 HydrophobicContact CB-CB 4.14Å
428A92.4Very high90.1Very high0 Ų048.4 Ų48.40%023%0.231CC..Hα-helixtrans-59.5-47.1173.600000111.9V424 L430 M431 A432 T457 D461 F462 A465V424-A428 WeakPolarHBondContact O-CB 2.93Å; V424-A428 PolarHBondContact O-N 2.63Å; A428-L430 VanDerWaalsContact C-N 3.32Å; A428-L430 PolarHBondContact O-N 3.18Å; A428-M431 WeakPolarHBondContact O-CB 3.41Å; A428-M431 PolarHBondContact O-N 3.38Å; A428-A432 PolarHBondContact O-N 3.49Å; A428-T457 HydrophobicContact CB-CG2 3.89Å; A428-D461 HydrophobicContact CB-CB 4.42Å; A428-F462 HydrophobicContact CB-CD1 3.68Å; A428-F462 HydrophobicContact CB-CE1 3.73Å; A428-F462 HydrophobicContact CB-CG 4.09Å; A428-F462 HydrophobicContact CB-CZ 4.18Å; A428-A465 HydrophobicContact CB-CB 4.13Å
429S90.6Very high89.7Confident31 Ų3151.6 Ų51.622%0.21726%0.264CS..Hα-helixtrans-59.2-41.4174.4178.90000112.7L398 C425 R426 M431 A432 M433L398-S429 WeakPolarHBondContact CD2-OG 3.49Å; C425-S429 WeakPolarHBondContact O-CB 3.37Å; C425-S429 PolarHBondContact O-N 2.75Å; R426-S429 PolarHBondContact O-N 2.9Å; S429-M431 VanDerWaalsContact C-N 3.3Å; S429-M431 PolarHBondContact O-N 2.66Å; S429-A432 PolarHBondContact O-N 2.79Å; S429-M433 PolarHBondContact O-N 3.16Å
430L89.8Confident89.4Confident74 Ų7451.9 Ų51.939%0.38726%0.26SS..Hα-helixtrans-67.2-30.3175.2-72.4169000112.2R426 D427 A428 M433 R434R426-L430 WeakPolarHBondContact O-CB 3.45Å; R426-L430 VanDerWaalsContact O-CG 3.29Å; R426-L430 WeakPolarHBondContact O-CG 3.35Å; R426-L430 PolarHBondContact O-N 3.37Å; D427-L430 CarbonylContact O-C 3.57Å; D427-L430 PolarHBondContact O-N 3.33Å; A428-L430 VanDerWaalsContact C-N 3.32Å; A428-L430 PolarHBondContact O-N 3.18Å; L430-M433 HydrophobicContact CD2-CE 3.8Å; L430-M433 PolarHBondContact O-N 3.48Å; L430-R434 WeakPolarHBondContact O-CB 3.27Å; L430-R434 VanDerWaalsContact O-CG 3.22Å; L430-R434 WeakPolarHBondContact O-CG 3.38Å; L430-R434 PolarHBondContact O-N 3.16Å
431M89Confident88.9Confident9 Ų954.5 Ų54.54%0.04428%0.277CS..Hα-helixtrans-66.7-45.8176.5-57.1-135.2-168.400111.4D427 A428 S429 M433 R434 R435 D461 M464 A465 K468D427-M431 WeakPolarHBondContact O-CG 3.24Å; D427-M431 PolarHBondContact O-N 2.88Å; D427-M431 WeakPolarHBondContact OD2-CE 3.45Å; A428-M431 WeakPolarHBondContact O-CB 3.41Å; A428-M431 PolarHBondContact O-N 3.38Å; S429-M431 VanDerWaalsContact C-N 3.3Å; S429-M431 PolarHBondContact O-N 2.66Å; M431-M433 VanDerWaalsContact C-N 3.26Å; M431-M433 PolarHBondContact O-N 3.26Å; M431-R434 WeakPolarHBondContact O-CB 3.01Å; M431-R434 PolarHBondContact O-N 2.95Å; M431-R435 WeakPolarHBondContact O-CG 3.29Å; M431-R435 PolarHBondContact O-N 3.35Å; M431-D461 HydrophobicContact CB-CB 3.98Å; M431-D461 WeakPolarHBondContact CB-OD1 3.39Å; M431-M464 HydrophobicContact CE-CB 3.66Å; M431-M464 HydrophobicContact SD-CB 3.49Å; M431-M464 WeakPolarHBondContact SD-CB 3.45Å; M431-M464 HydrophobicContact SD-CE 3.98Å; M431-M464 HydrophobicContact SD-CG 4.44Å; M431-M464 HydrophobicContact SD-SD 4.19Å; M431-A465 HydrophobicContact CE-CB 3.99Å; M431-K468 HydrophobicContact CE-CD 3.76Å
432A86.9Confident88.6Confident2 Ų259 Ų592%0.01731%0.306CS..Hα-helixtrans-55.6-44175.300000111.4A428 S429 R435 R436 M455A428-A432 PolarHBondContact O-N 3.49Å; S429-A432 PolarHBondContact O-N 2.79Å; A432-R435 PolarHBondContact O-N 2.85Å; A432-R436 PolarHBondContact O-N 3.07Å; A432-M455 HydrophobicContact CB-CB 4.35Å
433M86.1Confident88.2Confident62 Ų6264.3 Ų64.331%0.30533%0.328SS..Hα-helixtrans-65.9-41.3174.8-169.2-160.9-44.200112.9S429 L430 M431 R435 R436 I437 M453S429-M433 PolarHBondContact O-N 3.16Å; L430-M433 HydrophobicContact CD2-CE 3.8Å; L430-M433 PolarHBondContact O-N 3.48Å; M431-M433 VanDerWaalsContact C-N 3.26Å; M431-M433 PolarHBondContact O-N 3.26Å; M433-R435 VanDerWaalsContact C-N 3.33Å; M433-R435 PolarHBondContact O-N 3.29Å; M433-R436 WeakPolarHBondContact O-CB 3.38Å; M433-R436 PolarHBondContact O-N 2.97Å; M433-R436 VanDerWaalsContact O-N 3.14Å; M433-I437 HydrophobicContact CG-CD1 3.91Å; M433-I437 WeakPolarHBondContact O-CG1 3.36Å; M433-I437 PolarHBondContact O-N 3.37Å; M433-I437 HydrophobicContact SD-CD1 4.29Å; M433-M453 HydrophobicContact SD-CE 4.42Å
434R87.3Confident87.7Confident130 Ų13065.4 Ų65.449%0.49133%0.331SS..Hα-helixtrans-60.2-43.1176.7-78.2170.1-175.8152.62.4111D427 L430 M431 R436 I437 E438D427-R434 IonicContact OD1-NH1 3.41Å; D427-R434 PolarHBondContact OD1-NH1 3.1Å; L430-R434 WeakPolarHBondContact O-CB 3.27Å; L430-R434 VanDerWaalsContact O-CG 3.22Å; L430-R434 WeakPolarHBondContact O-CG 3.38Å; L430-R434 PolarHBondContact O-N 3.16Å; M431-R434 WeakPolarHBondContact O-CB 3.01Å; M431-R434 PolarHBondContact O-N 2.95Å; R434-R436 VanDerWaalsContact C-N 3.28Å; R434-R436 PolarHBondContact O-N 2.83Å; R434-I437 PolarHBondContact O-N 3.08Å; R434-E438 WeakPolarHBondContact O-CB 3.38Å; R434-E438 PolarHBondContact O-N 3.47Å
435R84.9Confident87.2Confident91 Ų9168 Ų6834%0.34334%0.344SS..Hα-helixtrans-60.7-36.7175-68.5-168.4-68.9134.34.8112.1M431 A432 M433 T458 D461M431-R435 WeakPolarHBondContact O-CG 3.29Å; M431-R435 PolarHBondContact O-N 3.35Å; A432-R435 PolarHBondContact O-N 2.85Å; M433-R435 VanDerWaalsContact C-N 3.33Å; M433-R435 PolarHBondContact O-N 3.29Å; R435-T458 PolarHBondContact NH2-OG1 3.5Å; R435-D461 IonicContact CZ-OD1 3.55Å; R435-D461 IonicContact CZ-OD2 3.51Å; R435-D461 IonicContact NE-OD1 2.97Å; R435-D461 PolarHBondContact NE-OD1 2.9Å; R435-D461 IonicContact NE-OD2 3.6Å; R435-D461 IonicContact NH2-OD1 3.53Å; R435-D461 IonicContact NH2-OD2 2.69Å; R435-D461 PolarHBondContact NH2-OD2 3.44Å
436R82.6Confident86.8Confident62 Ų6278 Ų7823%0.23438%0.382CS..Hα-helixtrans-68.5-35.6177.2179.662.8-173.7104.6-11.7113.9A432 M433 R434 L440 E452 M455A432-R436 PolarHBondContact O-N 3.07Å; M433-R436 WeakPolarHBondContact O-CB 3.38Å; M433-R436 PolarHBondContact O-N 2.97Å; M433-R436 VanDerWaalsContact O-N 3.14Å; R434-R436 VanDerWaalsContact C-N 3.28Å; R434-R436 PolarHBondContact O-N 2.83Å; R436-L440 WeakPolarHBondContact O-CD1 3.44Å; R436-E452 PolarHBondContact NE-O 3.35Å; R436-E452 VanDerWaalsContact NE-O 3.14Å; R436-M455 HydrophobicContact CB-CE 3.81Å; R436-M455 HydrophobicContact CB-CG 4.1Å; R436-M455 HydrophobicContact CB-SD 4.02Å; R436-M455 HydrophobicContact CG-CE 4.13Å; R436-M455 HydrophobicContact CG-CG 4.43Å
437I85.1Confident86.4Confident47 Ų4777.2 Ų77.224%0.24139%0.389CS..Hα-helixtrans-88-21.2-176.6-69.4173.4000111.8M433 R434 G439 L440 I445M433-I437 HydrophobicContact CG-CD1 3.91Å; M433-I437 WeakPolarHBondContact O-CG1 3.36Å; M433-I437 PolarHBondContact O-N 3.37Å; M433-I437 HydrophobicContact SD-CD1 4.29Å; R434-I437 PolarHBondContact O-N 3.08Å; I437-G439 PolarHBondContact O-N 3.13Å; I437-G439 VanDerWaalsContact O-N 3.16Å; I437-L440 WeakPolarHBondContact O-CB 3.39Å; I437-L440 PolarHBondContact O-N 2.9Å; I437-I445 HydrophobicContact CD1-CG2 4.33Å; I437-I445 HydrophobicContact CG2-CD1 3.43Å; I437-I445 VanDerWaalsContact CG2-CD1 3.43Å; I437-I445 HydrophobicContact CG2-CG1 3.82Å
438E84.6Confident85.7Confident158 Ų15877.3 Ų77.374%0.73839%0.389SS*.THydrogen-bonded Turntrans-58119.1178.7-169.1166.4-158.300111R434R434-E438 WeakPolarHBondContact O-CB 3.38Å; R434-E438 PolarHBondContact O-N 3.47Å
439G83Confident85.1Confident79 Ų7979.7 Ų79.781%0.81441%0.406SS*.THydrogen-bonded Turntrans91.1-6.5-177.400000115.7I437I437-G439 PolarHBondContact O-N 3.13Å; I437-G439 VanDerWaalsContact O-N 3.16Å
440L85.3Confident84.4Confident46 Ų4686.5 Ų86.524%0.24143%0.432CS..  trans-86.2144.5175.1-62.2-179.8000112.3R436 I437 E444 I445 L448R436-L440 WeakPolarHBondContact O-CD1 3.44Å; I437-L440 WeakPolarHBondContact O-CB 3.39Å; I437-L440 PolarHBondContact O-N 2.9Å; L440-E444 HydrophobicContact CB-CB 4.12Å; L440-E444 HydrophobicContact CD2-CB 4.11Å; L440-I445 HydrophobicContact CB-CD1 4.41Å; L440-I445 HydrophobicContact CB-CG1 3.77Å; L440-I445 HydrophobicContact CD1-CG1 4.33Å; L440-L448 HydrophobicContact CD1-CD1 3.73Å; L440-L448 HydrophobicContact CD1-CD2 4.25Å; L440-L448 HydrophobicContact CD1-CG 4.28Å
441T85.9Confident83.6Confident68 Ų6891 Ų9142%0.41745%0.451SS..  trans-74.2156.6169.361.70000111.2E443 E444 I445T441-E443 PolarHBondContact O-N 3.15Å; T441-E443 VanDerWaalsContact O-N 3.1Å; T441-E444 WeakPolarHBondContact CB-OE2 3.39Å; T441-E444 WeakPolarHBondContact CG2-OE2 3.24Å; T441-E444 PolarHBondContact N-OE2 3.36Å; T441-E444 PolarHBondContact O-N 3.47Å; T441-E444 VanDerWaalsContact OG1-CD 3.26Å; T441-E444 VanDerWaalsContact OG1-CG 3.28Å; T441-E444 WeakPolarHBondContact OG1-CG 3.17Å; T441-E444 PolarHBondContact OG1-N 3.43Å; T441-E444 PolarHBondContact OG1-OE2 3.05Å; T441-I445 WeakPolarHBondContact O-CG1 3.43Å; T441-I445 PolarHBondContact O-N 3.24Å
442P86.6Confident82.7Confident95 Ų9595.5 Ų95.562%0.61747%0.471SS*.Hα-helixtrans-55.5-28.1175.9-27.235.6000114.5R446P442-R446 VanDerWaalsContact O-CG 3.3Å; P442-R446 WeakPolarHBondContact O-CG 3.37Å; P442-R446 PolarHBondContact O-N 3.49Å
443E85.5Confident81.9Confident150 Ų15098.5 Ų98.570%0.70149%0.486SS*.Hα-helixtrans-73.5-42.7176-64.2-17317300111.5T441 R446 N447T441-E443 PolarHBondContact O-N 3.15Å; T441-E443 VanDerWaalsContact O-N 3.1Å; E443-R446 PolarHBondContact O-N 2.91Å; E443-N447 PolarHBondContact O-N 3.12Å; E443-N447 PolarHBondContact O-ND2 3.26Å
444E83.1Confident81.2Confident91 Ų91101.1 Ų101.143%0.42550%0.497SS..Hα-helixtrans-63.3-42.8174.5-70.8163.7140.800111.3L440 T441 R446 N447 L448L440-E444 HydrophobicContact CB-CB 4.12Å; L440-E444 HydrophobicContact CD2-CB 4.11Å; T441-E444 WeakPolarHBondContact CB-OE2 3.39Å; T441-E444 WeakPolarHBondContact CG2-OE2 3.24Å; T441-E444 PolarHBondContact N-OE2 3.36Å; T441-E444 PolarHBondContact O-N 3.47Å; T441-E444 VanDerWaalsContact OG1-CD 3.26Å; T441-E444 VanDerWaalsContact OG1-CG 3.28Å; T441-E444 WeakPolarHBondContact OG1-CG 3.17Å; T441-E444 PolarHBondContact OG1-N 3.43Å; T441-E444 PolarHBondContact OG1-OE2 3.05Å; E444-R446 VanDerWaalsContact C-N 3.29Å; E444-R446 PolarHBondContact O-N 2.99Å; E444-N447 PolarHBondContact O-N 3.06Å; E444-N447 VanDerWaalsContact O-N 3.07Å; E444-L448 PolarHBondContact O-N 3.15Å; E444-L448 VanDerWaalsContact O-N 3.13Å
445I84.1Confident80.9Confident53 Ų5398.4 Ų98.427%0.27249%0.491SS..Hα-helixtrans-59.9-39.8177.4-62.1164.2000111.3I437 L440 T441 N447 L448I437-I445 HydrophobicContact CD1-CG2 4.33Å; I437-I445 HydrophobicContact CG2-CD1 3.43Å; I437-I445 VanDerWaalsContact CG2-CD1 3.43Å; I437-I445 HydrophobicContact CG2-CG1 3.82Å; L440-I445 HydrophobicContact CB-CD1 4.41Å; L440-I445 HydrophobicContact CB-CG1 3.77Å; L440-I445 HydrophobicContact CD1-CG1 4.33Å; T441-I445 WeakPolarHBondContact O-CG1 3.43Å; T441-I445 PolarHBondContact O-N 3.24Å; I445-N447 VanDerWaalsContact C-N 3.28Å; I445-N447 PolarHBondContact O-N 2.93Å; I445-L448 PolarHBondContact O-N 3.49Å
446R83.7Confident81Confident213 Ų21396.9 Ų96.980%0.80449%0.493SS*.Hα-helixtrans-69-26.7177.5-76175.7-177.3-173.22.7113.2P442 E443 E444P442-R446 VanDerWaalsContact O-CG 3.3Å; P442-R446 WeakPolarHBondContact O-CG 3.37Å; P442-R446 PolarHBondContact O-N 3.49Å; E443-R446 PolarHBondContact O-N 2.91Å; E444-R446 VanDerWaalsContact C-N 3.29Å; E444-R446 PolarHBondContact O-N 2.99Å
447N83.6Confident81.3Confident136 Ų13694 Ų9473%0.72748%0.483SS*.Hα-helixtrans-90.4-7.6-179.1-69.5-25000113.3E443 E444 I445 S449E443-N447 PolarHBondContact O-N 3.12Å; E443-N447 PolarHBondContact O-ND2 3.26Å; E444-N447 PolarHBondContact O-N 3.06Å; E444-N447 VanDerWaalsContact O-N 3.07Å; I445-N447 VanDerWaalsContact C-N 3.28Å; I445-N447 PolarHBondContact O-N 2.93Å; N447-S449 PolarHBondContact O-N 3.04Å
448L80.3Confident81.6Confident26 Ų2693 Ų9314%0.13648%0.478CS..  trans-61.8129.8174.4-70.8174.4000110.5L440 E444 I445 E452 M453L440-L448 HydrophobicContact CD1-CD1 3.73Å; L440-L448 HydrophobicContact CD1-CD2 4.25Å; L440-L448 HydrophobicContact CD1-CG 4.28Å; E444-L448 PolarHBondContact O-N 3.15Å; E444-L448 VanDerWaalsContact O-N 3.13Å; I445-L448 PolarHBondContact O-N 3.49Å; L448-E452 HydrophobicContact CD2-CB 4.39Å; L448-M453 HydrophobicContact CB-CG 3.95Å; L448-M453 HydrophobicContact CD1-CG 4.28Å
449S78.8Confident81.9Confident50 Ų5086.9 Ų86.935%0.3545%0.45SS..  trans-68.9154.2169.165.60000110.4N447 E451 E452 M453N447-S449 PolarHBondContact O-N 3.04Å; S449-E451 PolarHBondContact O-N 3.42Å; S449-E452 WeakPolarHBondContact CB-OE2 3.32Å; S449-E452 PolarHBondContact N-OE2 2.71Å; S449-E452 PolarHBondContact O-N 3.08Å; S449-E452 VanDerWaalsContact O-N 3.12Å; S449-E452 WeakPolarHBondContact OG-CB 3.12Å; S449-E452 WeakPolarHBondContact OG-CG 3.39Å; S449-E452 PolarHBondContact OG-N 3.12Å; S449-E452 PolarHBondContact OG-OE2 3.25Å; S449-M453 WeakPolarHBondContact O-CG 3.31Å; S449-M453 PolarHBondContact O-N 2.98Å; S449-M453 VanDerWaalsContact O-N 3.16Å
450K76.9Confident82.4Confident174 Ų17489 Ų8976%0.75744%0.439SS*.Hα-helixtrans-55.1-39.3177.2-70.5-176.6178.2-178.80111.6M453 H454K450-M453 WeakPolarHBondContact O-CB 3.49Å; K450-M453 PolarHBondContact O-N 2.93Å; K450-H454 PolarHBondContact O-CD2 3.47Å; K450-H454 PolarHBondContact O-N 2.91Å
451E72.2Confident82.7Confident170 Ų17086.9 Ų86.979%0.79443%0.428SS*.Hα-helixtrans-65.2-41.2179.3-62.3177.7-175.300111.5S449 M453 H454S449-E451 PolarHBondContact O-N 3.42Å; E451-M453 PolarHBondContact O-N 2.91Å; E451-H454 PolarHBondContact O-N 2.86Å
452E70Confident83Confident102 Ų10283.7 Ų83.748%0.47741%0.408SS..Hα-helixtrans-72.1-15.7176.9-70.6166.8138.100114.2R436 L448 S449R436-E452 PolarHBondContact NE-O 3.35Å; R436-E452 VanDerWaalsContact NE-O 3.14Å; L448-E452 HydrophobicContact CD2-CB 4.39Å; S449-E452 WeakPolarHBondContact CB-OE2 3.32Å; S449-E452 PolarHBondContact N-OE2 2.71Å; S449-E452 PolarHBondContact O-N 3.08Å; S449-E452 VanDerWaalsContact O-N 3.12Å; S449-E452 WeakPolarHBondContact OG-CB 3.12Å; S449-E452 WeakPolarHBondContact OG-CG 3.39Å; S449-E452 PolarHBondContact OG-N 3.12Å; S449-E452 PolarHBondContact OG-OE2 3.25Å
453M69.9Low83.3Confident65 Ų6583.7 Ų83.732%0.3240%0.4SS..Hα-helixtrans-79.3-25.7173.1-68.3-177.666.600112.3M433 L448 S449 K450 E451 M455M433-M453 HydrophobicContact SD-CE 4.42Å; L448-M453 HydrophobicContact CB-CG 3.95Å; L448-M453 HydrophobicContact CD1-CG 4.28Å; S449-M453 WeakPolarHBondContact O-CG 3.31Å; S449-M453 PolarHBondContact O-N 2.98Å; S449-M453 VanDerWaalsContact O-N 3.16Å; K450-M453 WeakPolarHBondContact O-CB 3.49Å; K450-M453 PolarHBondContact O-N 2.93Å; E451-M453 PolarHBondContact O-N 2.91Å; M453-M455 PolarHBondContact O-N 3.31Å; M453-M455 VanDerWaalsContact O-N 3.1Å
454H72.6Confident83.6Confident117 Ų11780 Ų8054%0.54238%0.384SS..  trans-84.578.6179.6-70.5-69.4000110K450 E451K450-H454 PolarHBondContact O-CD2 3.47Å; K450-H454 PolarHBondContact O-N 2.91Å; E451-H454 PolarHBondContact O-N 2.86Å
455M80.2Confident84.1Confident73 Ų7375.7 Ų75.736%0.3636%0.363SS..PPolyproline II helixtrans-72.6143.9163.1-82.7-161-175.900110.3A432 R436 M453 T457A432-M455 HydrophobicContact CB-CB 4.35Å; R436-M455 HydrophobicContact CB-CE 3.81Å; R436-M455 HydrophobicContact CB-CG 4.1Å; R436-M455 HydrophobicContact CB-SD 4.02Å; R436-M455 HydrophobicContact CG-CE 4.13Å; R436-M455 HydrophobicContact CG-CG 4.43Å; M453-M455 PolarHBondContact O-N 3.31Å; M453-M455 VanDerWaalsContact O-N 3.1Å; M455-T457 PolarHBondContact O-N 3.38Å
456P87.3Confident84.4Confident59 Ų5974.7 Ų74.738%0.38336%0.358SS..PPolyproline II helixtrans-63.2135.2172.827.7-34.2000110E399 A401E399-P456 HydrophobicContact CB-CB 4.5Å; E399-P456 VanDerWaalsContact O-CA 3.31Å; E399-P456 WeakPolarHBondContact O-CA 3.35Å; A401-P456 HydrophobicContact CB-CB 4.22Å
457T89.6Confident84.8Confident3 Ų372.2 Ų72.22%0.01835%0.353CS..BIsolated β-bridgetrans-76.1126178.2-53.20000108.9E399 A401 V404 A428 M455 D461 F462E399-T457 PolarHBondContact O-N 2.86Å; A401-T457 PolarHBondContact N-O 3.46Å; V404-T457 WeakPolarHBondContact CG2-O 3.46Å; A428-T457 HydrophobicContact CB-CG2 3.89Å; M455-T457 PolarHBondContact O-N 3.38Å; T457-D461 HydrophobicContact CG2-CB 3.89Å; T457-F462 HydrophobicContact CG2-CD2 4.12Å; T457-F462 HydrophobicContact CG2-CE2 3.62Å; T457-F462 HydrophobicContact CG2-CZ 4.07Å
458T91.2Very high85.2Confident24 Ų2471.8 Ų71.815%0.14735%0.345CS..PPolyproline II helixtrans-94.7166.5-176.8600000112A401 R435 E460 D461 F462A401-T458 HydrophobicContact CB-CG2 4.08Å; R435-T458 PolarHBondContact NH2-OG1 3.5Å; T458-E460 PolarHBondContact O-N 3.16Å; T458-D461 PolarHBondContact N-OD2 3.42Å; T458-D461 VanDerWaalsContact N-OD2 3.16Å; T458-D461 WeakPolarHBondContact O-CB 3.5Å; T458-D461 PolarHBondContact O-N 2.84Å; T458-D461 PolarHBondContact OG1-OD2 2.99Å; T458-F462 WeakPolarHBondContact O-CD2 3.45Å; T458-F462 PolarHBondContact O-N 3.32Å
459M91.3Very high85.7Confident30 Ų3071.8 Ų71.815%0.14835%0.346CS..Hα-helixtrans-61.1-35.8175.8-17262.3177.400111.8D403 I409 D461 F462 E463D403-M459 VanDerWaalsContact OD2-CB 3.27Å; D403-M459 WeakPolarHBondContact OD2-CB 3.37Å; D403-M459 PolarHBondContact OD2-N 3.05Å; I409-M459 HydrophobicContact CD1-CE 4.46Å; I409-M459 HydrophobicContact CD1-SD 3.82Å; I409-M459 HydrophobicContact CG1-CE 3.84Å; I409-M459 HydrophobicContact CG1-SD 3.88Å; M459-D461 VanDerWaalsContact C-N 3.29Å; M459-D461 PolarHBondContact O-N 3Å; M459-F462 WeakPolarHBondContact O-CB 3.37Å; M459-F462 PolarHBondContact O-N 2.72Å; M459-F462 VanDerWaalsContact O-N 3.14Å; M459-E463 PolarHBondContact O-N 3.28Å
460E91.7Very high86.2Confident125 Ų12573.9 Ų73.958%0.58436%0.361SS*.Hα-helixtrans-59.2-37.7175.7-63.9-177169.200112.8T458 F462 E463 M464T458-E460 PolarHBondContact O-N 3.16Å; E460-F462 VanDerWaalsContact C-N 3.33Å; E460-E463 PolarHBondContact O-N 3.39Å; E460-M464 WeakPolarHBondContact O-CG 3.24Å; E460-M464 PolarHBondContact O-N 3.15Å
461D92.2Very high86.9Confident0 Ų071.1 Ų71.10%035%0.349CS..Hα-helixtrans-64.3-40.6177.1-66.9-37.9000110.8A428 M431 R435 T457 T458 M459 M464 A465A428-D461 HydrophobicContact CB-CB 4.42Å; M431-D461 HydrophobicContact CB-CB 3.98Å; M431-D461 WeakPolarHBondContact CB-OD1 3.39Å; R435-D461 IonicContact CZ-OD1 3.55Å; R435-D461 IonicContact CZ-OD2 3.51Å; R435-D461 IonicContact NE-OD1 2.97Å; R435-D461 PolarHBondContact NE-OD1 2.9Å; R435-D461 IonicContact NE-OD2 3.6Å; R435-D461 IonicContact NH2-OD1 3.53Å; R435-D461 IonicContact NH2-OD2 2.69Å; R435-D461 PolarHBondContact NH2-OD2 3.44Å; T457-D461 HydrophobicContact CG2-CB 3.89Å; T458-D461 PolarHBondContact N-OD2 3.42Å; T458-D461 VanDerWaalsContact N-OD2 3.16Å; T458-D461 WeakPolarHBondContact O-CB 3.5Å; T458-D461 PolarHBondContact O-N 2.84Å; T458-D461 PolarHBondContact OG1-OD2 2.99Å; M459-D461 VanDerWaalsContact C-N 3.29Å; M459-D461 PolarHBondContact O-N 3Å; D461-M464 PolarHBondContact O-N 3.31Å; D461-A465 WeakPolarHBondContact O-CB 3.4Å; D461-A465 PolarHBondContact O-N 3.08Å
462F92.6Very high87.8Confident1 Ų166.1 Ų66.10%0.00433%0.332CS..Hα-helixtrans-66.7-42.1175.3-76.5-75.1000112.4L395 L400 V404 I409 V424 A428 T457 T458 M459 E460 M464 A465 L466L395-F462 HydrophobicContact CD1-CE1 4.28Å; L395-F462 HydrophobicContact CD1-CZ 3.8Å; L395-F462 HydrophobicContact CD2-CE1 4.21Å; L395-F462 HydrophobicContact CD2-CZ 3.8Å; L395-F462 HydrophobicContact CG-CZ 4.47Å; L400-F462 HydrophobicContact CD2-CE2 4.09Å; L400-F462 HydrophobicContact CD2-CZ 4.13Å; V404-F462 HydrophobicContact CG1-CD2 4.15Å; V404-F462 HydrophobicContact CG1-CE2 3.85Å; V404-F462 HydrophobicContact CG2-CD2 4.38Å; V404-F462 HydrophobicContact CG2-CE2 4.24Å; I409-F462 HydrophobicContact CD1-CB 4Å; I409-F462 HydrophobicContact CD1-CD1 4.08Å; I409-F462 HydrophobicContact CD1-CD2 3.87Å; I409-F462 HydrophobicContact CD1-CE2 4.36Å; I409-F462 HydrophobicContact CD1-CG 3.72Å; V424-F462 HydrophobicContact CG1-CD1 4.4Å; A428-F462 HydrophobicContact CB-CD1 3.68Å; A428-F462 HydrophobicContact CB-CE1 3.73Å; A428-F462 HydrophobicContact CB-CG 4.09Å; A428-F462 HydrophobicContact CB-CZ 4.18Å; T457-F462 HydrophobicContact CG2-CD2 4.12Å; T457-F462 HydrophobicContact CG2-CE2 3.62Å; T457-F462 HydrophobicContact CG2-CZ 4.07Å; T458-F462 WeakPolarHBondContact O-CD2 3.45Å; T458-F462 PolarHBondContact O-N 3.32Å; M459-F462 WeakPolarHBondContact O-CB 3.37Å; M459-F462 PolarHBondContact O-N 2.72Å; M459-F462 VanDerWaalsContact O-N 3.14Å; E460-F462 VanDerWaalsContact C-N 3.33Å; F462-M464 VanDerWaalsContact C-N 3.33Å; F462-M464 PolarHBondContact O-N 3.35Å; F462-A465 PolarHBondContact O-N 3.19Å; F462-L466 WeakPolarHBondContact O-CB 3.41Å; F462-L466 WeakPolarHBondContact O-CG 3.03Å; F462-L466 PolarHBondContact O-N 3.47Å
463E92.5Very high88.7Confident95 Ų9561.6 Ų61.644%0.44431%0.312SS..Hα-helixtrans-62-41176-71.2-171.5-18000112.2M459 E460 K467M459-E463 PolarHBondContact O-N 3.28Å; E460-E463 PolarHBondContact O-N 3.39Å; E463-K467 WeakPolarHBondContact O-CG 3.43Å; E463-K467 PolarHBondContact O-N 2.95Å; E463-K467 VanDerWaalsContact O-N 3.16Å
464M91.7Very high89.8Confident74 Ų7460.8 Ų60.837%0.36531%0.313SS..Hα-helixtrans-66.8-39.2174.8-73.9-170-76.300111.9M431 E460 D461 F462 K467 K468M431-M464 HydrophobicContact CE-CB 3.66Å; M431-M464 HydrophobicContact SD-CB 3.49Å; M431-M464 WeakPolarHBondContact SD-CB 3.45Å; M431-M464 HydrophobicContact SD-CE 3.98Å; M431-M464 HydrophobicContact SD-CG 4.44Å; M431-M464 HydrophobicContact SD-SD 4.19Å; E460-M464 WeakPolarHBondContact O-CG 3.24Å; E460-M464 PolarHBondContact O-N 3.15Å; D461-M464 PolarHBondContact O-N 3.31Å; F462-M464 VanDerWaalsContact C-N 3.33Å; F462-M464 PolarHBondContact O-N 3.35Å; M464-K467 PolarHBondContact O-N 3.45Å; M464-K468 WeakPolarHBondContact O-CG 3.42Å; M464-K468 PolarHBondContact O-N 3.44Å
465A93.1Very high90.6Very high0 Ų058.5 Ų58.50%031%0.314CS..Hα-helixtrans-65.4-43.517700000111.6V424 D427 A428 M431 D461 F462 K467 K468 V469V424-A465 HydrophobicContact CG1-CB 3.91Å; D427-A465 HydrophobicContact CB-CB 4.14Å; A428-A465 HydrophobicContact CB-CB 4.13Å; M431-A465 HydrophobicContact CE-CB 3.99Å; D461-A465 WeakPolarHBondContact O-CB 3.4Å; D461-A465 PolarHBondContact O-N 3.08Å; F462-A465 PolarHBondContact O-N 3.19Å; A465-K467 VanDerWaalsContact C-N 3.28Å; A465-K467 PolarHBondContact O-N 3.26Å; A465-K468 PolarHBondContact O-N 3.38Å; A465-V469 PolarHBondContact O-N 3.46Å
466L92.1Very high91.2Very high31 Ų3157.5 Ų57.516%0.16232%0.317CS..Hα-helixtrans-61.7-33.3175.7-76.6171.4000112.9N412 M413 Y416 V424 F462 K468N412-L466 HydrophobicContact CB-CD1 4.25Å; M413-L466 HydrophobicContact CE-CD2 3.68Å; M413-L466 HydrophobicContact CE-CG 4.44Å; M413-L466 HydrophobicContact CG-CD2 3.74Å; Y416-L466 HydrophobicContact CE1-CD2 4.43Å; V424-L466 HydrophobicContact CG1-CD2 4.15Å; V424-L466 HydrophobicContact CG1-CG 4.24Å; V424-L466 HydrophobicContact CG2-CD2 4.26Å; F462-L466 WeakPolarHBondContact O-CB 3.41Å; F462-L466 WeakPolarHBondContact O-CG 3.03Å; F462-L466 PolarHBondContact O-N 3.47Å; L466-K468 VanDerWaalsContact C-N 3.31Å
467K91.4Very high91.4Very high161 Ų16157 Ų5770%0.731%0.312SS*.Hα-helixtrans-69.6-28.4174.2-73.4168.1-173.6163.50112.8E463 M464 A465E463-K467 WeakPolarHBondContact O-CG 3.43Å; E463-K467 PolarHBondContact O-N 2.95Å; E463-K467 VanDerWaalsContact O-N 3.16Å; M464-K467 PolarHBondContact O-N 3.45Å; A465-K467 VanDerWaalsContact C-N 3.28Å; A465-K467 PolarHBondContact O-N 3.26Å
468K91.1Very high91.5Very high127 Ų12759 Ų5955%0.55232%0.322SS*.Hα-helixtrans-88.8-42.5-178.3-71.5177.3-176.1170.10112.6M431 M464 A465 L466 S470M431-K468 HydrophobicContact CE-CD 3.76Å; M464-K468 WeakPolarHBondContact O-CG 3.42Å; M464-K468 PolarHBondContact O-N 3.44Å; A465-K468 PolarHBondContact O-N 3.38Å; L466-K468 VanDerWaalsContact C-N 3.31Å; K468-S470 PolarHBondContact O-N 3.41Å
469V90.5Very high91.6Very high26 Ų2662.6 Ų62.616%0.15834%0.337CS..  trans-90106.6-175.8-177.10000109Y416 N423 V424 A465Y416-V469 HydrophobicContact CE1-CG1 4.47Å; Y416-V469 PolarHBondContact OH-O 3.02Å; N423-V469 HydrophobicContact CB-CG1 4.49Å; V424-V469 HydrophobicContact CG2-CB 3.75Å; V424-V469 HydrophobicContact CG2-CG1 3.81Å; V424-V469 HydrophobicContact CG2-CG2 4.14Å; A465-V469 PolarHBondContact O-N 3.46Å
470S90.1Very high91.7Very high95 Ų9568 Ų6866%0.66436%0.356SS*.  trans-83.5152.7172.6-63.10000111.4K468K468-S470 PolarHBondContact O-N 3.41Å
471K92.3Very high91.8Very high116 Ų11662.5 Ų62.550%0.50433%0.329SS..  trans-59.9138.8172.562.6-175.7176-172.70111.8Y416Y416-K471 HydrophobicContact CD2-CB 4.12Å; Y416-K471 HydrophobicContact CE2-CB 4.16Å
472S90.2Very high91.7Very high64 Ų6467.8 Ų67.845%0.44835%0.354SS..SBendtrans-83.6-18.3-179.358.80000114.3D420D420-S472 WeakPolarHBondContact OD1-CB 3.42Å; D420-S472 PolarHBondContact OD1-OG 2.61Å; D420-S472 PolarHBondContact OD2-N 3.24Å; D420-S472 PolarHBondContact OD2-OG 3.07Å
473V90.3Very high91.8Very high7 Ų773.9 Ų73.94%0.04238%0.38CS..  trans-115.1129.2-173.2-174.70000110.4P250 L381 D477 I478P250-V473 HydrophobicContact CB-CG1 4.06Å; P250-V473 HydrophobicContact CB-CG2 3.63Å; L381-V473 HydrophobicContact CD1-CB 4.43Å; L381-V473 HydrophobicContact CD1-CG1 4.35Å; L381-V473 HydrophobicContact CD2-CG2 4.29Å; V473-D477 HydrophobicContact CG1-CB 4.05Å; V473-I478 HydrophobicContact CG1-CG1 3.96Å
474S91.5Very high91.8Very high49 Ų4970.2 Ų70.234%0.34336%0.363SS..  trans-87.3157.3175.278.90000111.7A476 D477 I478S474-A476 PolarHBondContact O-N 3.25Å; S474-D477 VanDerWaalsContact CB-OD2 3.32Å; S474-D477 WeakPolarHBondContact CB-OD2 3.07Å; S474-D477 PolarHBondContact N-OD2 2.79Å; S474-D477 WeakPolarHBondContact O-CB 3.21Å; S474-D477 PolarHBondContact O-N 2.94Å; S474-D477 VanDerWaalsContact O-N 3.07Å; S474-D477 PolarHBondContact OG-N 3.27Å; S474-D477 PolarHBondContact OG-OD2 3.37Å; S474-I478 PolarHBondContact O-N 2.82Å
475A90.8Very high91.7Very high68 Ų6867.7 Ų67.756%0.56235%0.351SS*.Hα-helixtrans-60.4-33.3174.500000112.2D477 I478 E479A475-D477 VanDerWaalsContact C-N 3.28Å; A475-D477 PolarHBondContact O-N 2.95Å; A475-I478 PolarHBondContact O-N 3.38Å; A475-E479 PolarHBondContact O-N 2.89Å; A475-E479 VanDerWaalsContact O-N 3.12Å
476A92.6Very high91.6Very high53 Ų5376.8 Ų76.844%0.43839%0.39SS..Hα-helixtrans-64.9-31.9175.900000112.5S474 R480S474-A476 PolarHBondContact O-N 3.25Å; A476-R480 WeakPolarHBondContact O-CG 3.41Å; A476-R480 PolarHBondContact O-N 2.73Å
477D91Very high91.6Very high49 Ų4982 Ų8226%0.26241%0.414SS..Hα-helixtrans-69.9-41.9175.7-59.4-47000110.9V473 S474 A475 E479 R480 Y481V473-D477 HydrophobicContact CG1-CB 4.05Å; S474-D477 VanDerWaalsContact CB-OD2 3.32Å; S474-D477 WeakPolarHBondContact CB-OD2 3.07Å; S474-D477 PolarHBondContact N-OD2 2.79Å; S474-D477 WeakPolarHBondContact O-CB 3.21Å; S474-D477 PolarHBondContact O-N 2.94Å; S474-D477 VanDerWaalsContact O-N 3.07Å; S474-D477 PolarHBondContact OG-N 3.27Å; S474-D477 PolarHBondContact OG-OD2 3.37Å; A475-D477 VanDerWaalsContact C-N 3.28Å; A475-D477 PolarHBondContact O-N 2.95Å; D477-E479 VanDerWaalsContact C-N 3.34Å; D477-E479 PolarHBondContact O-N 3.04Å; D477-R480 WeakPolarHBondContact O-CB 3.38Å; D477-R480 PolarHBondContact O-N 2.95Å; D477-Y481 HydrophobicContact CB-CE2 4.32Å; D477-Y481 WeakPolarHBondContact O-CD2 3.33Å; D477-Y481 PolarHBondContact O-N 3.41Å; D477-Y481 VanDerWaalsContact O-N 3.09Å
478I91.6Very high91.4Very high44 Ų4476.8 Ų76.823%0.22639%0.391CS..Hα-helixtrans-58.4-47.2176.7-58.9171.3000110.3L381 V473 S474 A475 R480 Y481 E482L381-I478 HydrophobicContact CD1-CD1 3.58Å; L381-I478 HydrophobicContact CD1-CG1 4.15Å; V473-I478 HydrophobicContact CG1-CG1 3.96Å; S474-I478 PolarHBondContact O-N 2.82Å; A475-I478 PolarHBondContact O-N 3.38Å; I478-R480 PolarHBondContact O-N 2.94Å; I478-Y481 PolarHBondContact O-N 3.11Å; I478-Y481 VanDerWaalsContact O-N 3.11Å; I478-E482 HydrophobicContact CG2-CG 4.47Å; I478-E482 PolarHBondContact O-N 3.13Å
479E93.3Very high90.7Very high99 Ų9971.9 Ų71.946%0.46338%0.377SS..Hα-helixtrans-58.3-35.4175.9-73.7-173.2-157.500113A475 D477 K483A475-E479 PolarHBondContact O-N 2.89Å; A475-E479 VanDerWaalsContact O-N 3.12Å; D477-E479 VanDerWaalsContact C-N 3.34Å; D477-E479 PolarHBondContact O-N 3.04Å; E479-K483 WeakPolarHBondContact O-CB 3.08Å; E479-K483 WeakPolarHBondContact O-CD 3.32Å; E479-K483 WeakPolarHBondContact O-CG 3.38Å; E479-K483 PolarHBondContact O-N 3.29Å; E479-K483 IonicContact OE2-NZ 2.83Å; E479-K483 PolarHBondContact OE2-NZ 2.99Å
480R93.5Very high89.6Confident145 Ų14572.3 Ų72.355%0.54738%0.381SS..Hα-helixtrans-66.9-42.2177.1-72.3176.3-176.6-168.53.8111.2W363 A476 D477 I478 W484W363-R480 HydrophobicContact CH2-CB 4.31Å; W363-R480 HydrophobicContact CZ3-CB 3.97Å; A476-R480 WeakPolarHBondContact O-CG 3.41Å; A476-R480 PolarHBondContact O-N 2.73Å; D477-R480 WeakPolarHBondContact O-CB 3.38Å; D477-R480 PolarHBondContact O-N 2.95Å; I478-R480 PolarHBondContact O-N 2.94Å; R480-W484 WeakPolarHBondContact O-CB 3.43Å; R480-W484 PolarHBondContact O-N 2.71Å
481Y92.7Very high87.7Confident8 Ų874.5 Ų74.53%0.03140%0.395CS..Hα-helixtrans-63.9-44.4175.4-68.4-70.9000111.8P250 N360 P362 W363 Y378 D477 I478 W484 I485P250-Y481 HydrophobicContact CB-CE2 4.08Å; P250-Y481 HydrophobicContact CG-CE2 4.48Å; N360-Y481 VanDerWaalsContact O-CE1 3.24Å; N360-Y481 WeakPolarHBondContact O-CE1 3.38Å; N360-Y481 PolarHBondContact O-OH 3.1Å; P362-Y481 HydrophobicContact CG-CD1 4.17Å; P362-Y481 HydrophobicContact CG-CE1 4.24Å; W363-Y481 HydrophobicContact CH2-CE1 4.04Å; W363-Y481 HydrophobicContact CH2-CE2 4.49Å; W363-Y481 HydrophobicContact CZ3-CD1 4.02Å; W363-Y481 AromaticContact CZ3-CE1 3.92Å; W363-Y481 HydrophobicContact CZ3-CE1 3.92Å; Y378-Y481 HydrophobicContact CE2-CG 4.21Å; D477-Y481 HydrophobicContact CB-CE2 4.32Å; D477-Y481 WeakPolarHBondContact O-CD2 3.33Å; D477-Y481 PolarHBondContact O-N 3.41Å; D477-Y481 VanDerWaalsContact O-N 3.09Å; I478-Y481 PolarHBondContact O-N 3.11Å; I478-Y481 VanDerWaalsContact O-N 3.11Å; Y481-W484 PolarHBondContact O-N 3.39Å; Y481-I485 WeakPolarHBondContact O-CB 3.25Å; Y481-I485 WeakPolarHBondContact O-CG1 3.04Å; Y481-I485 PolarHBondContact O-N 2.8Å
482E91.4Very high87.5Confident111 Ų11172.4 Ų72.452%0.51939%0.389SS..Hα-helixtrans-61.7-45.1178.4-72.5-179.1174.600112I478 W484 I485 F486I478-E482 HydrophobicContact CG2-CG 4.47Å; I478-E482 PolarHBondContact O-N 3.13Å; E482-W484 VanDerWaalsContact C-N 3.35Å; E482-W484 PolarHBondContact O-N 3.06Å; E482-I485 PolarHBondContact O-N 3.2Å; E482-F486 WeakPolarHBondContact O-CB 3.03Å; E482-F486 PolarHBondContact O-N 2.81Å
483K93.9Very high87.3Confident129 Ų12972.8 Ų72.856%0.56139%0.386SS*.Hα-helixtrans-59.9-44.5175.1-74.1165.3-172.2155.30111.6E479 F486 E487E479-K483 WeakPolarHBondContact O-CB 3.08Å; E479-K483 WeakPolarHBondContact O-CD 3.32Å; E479-K483 WeakPolarHBondContact O-CG 3.38Å; E479-K483 PolarHBondContact O-N 3.29Å; E479-K483 IonicContact OE2-NZ 2.83Å; E479-K483 PolarHBondContact OE2-NZ 2.99Å; K483-F486 PolarHBondContact O-N 2.87Å; K483-E487 PolarHBondContact O-N 3.35Å; K483-E487 VanDerWaalsContact O-N 3.16Å
484W92.7Very high87.2Confident18 Ų1876.5 Ų76.57%0.06841%0.405CS..Hα-helixtrans-67.1-40.9179.5-170.795.7000112.4L246 V248 P362 R376 R480 Y481 E482 E487 F488L246-W484 HydrophobicContact CD2-CH2 4.27Å; V248-W484 HydrophobicContact CB-CZ3 4.46Å; V248-W484 HydrophobicContact CG1-CH2 4.14Å; V248-W484 HydrophobicContact CG1-CZ3 3.86Å; V248-W484 HydrophobicContact CG2-CE3 4.38Å; V248-W484 HydrophobicContact CG2-CZ3 4.07Å; P362-W484 HydrophobicContact CB-CD2 3.8Å; P362-W484 HydrophobicContact CB-CE3 3.95Å; P362-W484 HydrophobicContact CB-CG 4.48Å; P362-W484 HydrophobicContact CB-CH2 3.82Å; P362-W484 HydrophobicContact CB-CZ2 3.66Å; P362-W484 HydrophobicContact CB-CZ3 3.97Å; P362-W484 HydrophobicContact CG-CD2 3.94Å; P362-W484 HydrophobicContact CG-CE3 4.15Å; P362-W484 HydrophobicContact CG-CG 4.22Å; P362-W484 WeakPolarHBondContact O-CZ2 3.38Å; P362-W484 PolarHBondContact O-NE1 3.43Å; R376-W484 HydrophobicContact CG-CH2 4.43Å; R480-W484 WeakPolarHBondContact O-CB 3.43Å; R480-W484 PolarHBondContact O-N 2.71Å; Y481-W484 PolarHBondContact O-N 3.39Å; E482-W484 VanDerWaalsContact C-N 3.35Å; E482-W484 PolarHBondContact O-N 3.06Å; W484-E487 PolarHBondContact O-N 3.2Å; W484-F488 AromaticContact CD1-CD2 3.81Å; W484-F488 HydrophobicContact CD2-CB 4.36Å; W484-F488 AromaticContact CD2-CD2 4Å; W484-F488 HydrophobicContact CD2-CD2 4Å; W484-F488 AromaticContact CE2-CD2 3.66Å; W484-F488 HydrophobicContact CE3-CB 4.37Å; W484-F488 HydrophobicContact CG-CD2 4.08Å; W484-F488 HydrophobicContact CH2-CB 4.11Å; W484-F488 HydrophobicContact CZ2-CB 4.08Å; W484-F488 HydrophobicContact CZ2-CD2 4.21Å; W484-F488 HydrophobicContact CZ2-CG 4.39Å; W484-F488 HydrophobicContact CZ3-CB 4.25Å; W484-F488 AromaticContact NE1-CD2 3.57Å; W484-F488 PolarHBondContact O-N 2.95Å
485I90.1Very high86.9Confident22 Ų2278.1 Ų78.111%0.11341%0.409CS..Hα-helixtrans-68.6-34.8175.9-77.8-68000111.7V248 Y378 Y481 E482 E487 G489V248-I485 HydrophobicContact CG2-CD1 3.44Å; V248-I485 VanDerWaalsContact CG2-CD1 3.44Å; V248-I485 HydrophobicContact CG2-CG1 3.98Å; Y378-I485 HydrophobicContact CD2-CG1 4.03Å; Y378-I485 HydrophobicContact CG-CG1 4.03Å; Y481-I485 WeakPolarHBondContact O-CB 3.25Å; Y481-I485 WeakPolarHBondContact O-CG1 3.04Å; Y481-I485 PolarHBondContact O-N 2.8Å; E482-I485 PolarHBondContact O-N 3.2Å; I485-E487 VanDerWaalsContact C-N 3.27Å; I485-E487 PolarHBondContact O-N 3.35Å; I485-G489 WeakPolarHBondContact O-CA 3.01Å; I485-G489 PolarHBondContact O-N 3.45Å
486F91Very high86.7Confident191 Ų19178.8 Ų78.884%0.83840%0.399SS*.Hα-helixtrans-63.6-37.2173.7-176.5-97.2000111.8E482 K483E482-F486 WeakPolarHBondContact O-CB 3.03Å; E482-F486 PolarHBondContact O-N 2.81Å; K483-F486 PolarHBondContact O-N 2.87Å
487E90.8Very high86.3Confident139 Ų13980.5 Ų80.565%0.6540%0.397SS*.Hα-helixtrans-80.4-40.8-179.6-167.6179.2172.400113.4K483 W484 I485K483-E487 PolarHBondContact O-N 3.35Å; K483-E487 VanDerWaalsContact O-N 3.16Å; W484-E487 PolarHBondContact O-N 3.2Å; I485-E487 VanDerWaalsContact C-N 3.27Å; I485-E487 PolarHBondContact O-N 3.35Å
488F88.1Confident86Confident52 Ų5282.7 Ų82.723%0.22841%0.406CS..Hα-helixtrans-121-10.7-171.1-59.1-63.5000114.7R370 R376 W484R370-F488 VanDerWaalsContact NH1-CD1 3.3Å; R370-F488 VanDerWaalsContact NH1-CE2 3.31Å; R376-F488 WeakPolarHBondContact CD-O 3.47Å; R376-F488 PolarHBondContact NE-O 3.5Å; W484-F488 AromaticContact CD1-CD2 3.81Å; W484-F488 HydrophobicContact CD2-CB 4.36Å; W484-F488 AromaticContact CD2-CD2 4Å; W484-F488 HydrophobicContact CD2-CD2 4Å; W484-F488 AromaticContact CE2-CD2 3.66Å; W484-F488 HydrophobicContact CE3-CB 4.37Å; W484-F488 HydrophobicContact CG-CD2 4.08Å; W484-F488 HydrophobicContact CH2-CB 4.11Å; W484-F488 HydrophobicContact CZ2-CB 4.08Å; W484-F488 HydrophobicContact CZ2-CD2 4.21Å; W484-F488 HydrophobicContact CZ2-CG 4.39Å; W484-F488 HydrophobicContact CZ3-CB 4.25Å; W484-F488 AromaticContact NE1-CD2 3.57Å; W484-F488 PolarHBondContact O-N 2.95Å
489G76.5Confident85.5Confident25 Ų2585.7 Ų85.726%0.25842%0.42SS..  trans-60.3143.9-177.600000111.7I485I485-G489 WeakPolarHBondContact O-CA 3.01Å; I485-G489 PolarHBondContact O-N 3.45Å
490S66.4Low84.9Confident34 Ų3484.6 Ų84.624%0.23842%0.417CS..  trans-117.271.1175.6-51.50000106.5E374 K375 R376E374-S490 PolarHBondContact O-OG 2.93Å; K375-S490 WeakPolarHBondContact CE-O 3.33Å; K375-S490 PolarHBondContact NZ-O 2.79Å; R376-S490 PolarHBondContact NE-OG 2.99Å
491C51.4Low84.1Confident141 Ų14179.1 Ų79.195%0.95341%0.405SS*.  trans-60.30175.7-63.10000109.5K375K375-C491 PolarHBondContact NZ-OXT 3.31Å

Retrieved 491 of 491 residues in 84.2 ms (Link to these results)

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