A0A087YG79_POEFO Loading...

Mitochondrial enolase superfamily member 1

AlphaFold DB , UniProt , Accession A0A087YG79, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 437 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
1M58.5Low92.3Very high168 Ų16861.8 Ų61.883%0.82832%0.317SS*.  0140.40-71.2-177.3-86.900107.4Q3 S44M1-Q3 PolarHBondContact O-N 3.48Å; M1-S44 VanDerWaalsContact SD-CA 3.59Å
2L75.3Confident92.8Very high125 Ų12557.8 Ų57.865%0.65430%0.297SS*.  trans-73.3-0.5-174.4-72.6168.1000113.1K4 S77L2-K4 VanDerWaalsContact C-N 3.32Å; L2-K4 PolarHBondContact O-N 3.21Å; L2-S77 WeakPolarHBondContact O-CB 3.43Å
3Q93.2Very high93.3Very high22 Ų2253.4 Ų53.410%0.10327%0.274CS..  trans56.350.8-175.9-54-62-18.100109.8M1 I5 T42 D43 S44 L78 L126M1-Q3 PolarHBondContact O-N 3.48Å; Q3-I5 PolarHBondContact O-N 3.27Å; Q3-T42 PolarHBondContact OE1-OG1 3.19Å; Q3-D43 WeakPolarHBondContact CA-OD1 3.45Å; Q3-D43 PolarHBondContact N-OD1 3.01Å; Q3-S44 VanDerWaalsContact CD-OG 3.23Å; Q3-S44 PolarHBondContact NE2-OG 3.44Å; Q3-S44 VanDerWaalsContact NE2-OG 3.13Å; Q3-S44 VanDerWaalsContact OE1-CB 3.27Å; Q3-S44 PolarHBondContact OE1-OG 2.87Å; Q3-L78 HydrophobicContact CB-CB 3.89Å; Q3-L78 PolarHBondContact O-N 3.42Å; Q3-L78 VanDerWaalsContact O-N 3.07Å; Q3-L126 HydrophobicContact CG-CD1 3.92Å; Q3-L126 HydrophobicContact CG-CD2 4.09Å
4K97.6Very high93.7Very high100 Ų10050.4 Ų50.444%0.43526%0.258SS..BIsolated β-bridgetrans-73.3124.5-179.9-173.7175.6179.7175.30108.5L2 T6 T42 D43 G75L2-K4 VanDerWaalsContact C-N 3.32Å; L2-K4 PolarHBondContact O-N 3.21Å; K4-T6 PolarHBondContact O-N 3.5Å; K4-T6 VanDerWaalsContact O-N 3.15Å; K4-T42 CarbonylContact O-C 3.55Å; K4-T42 WeakPolarHBondContact O-CA 3.4Å; K4-D43 HydrophobicContact CB-CB 4.41Å; K4-D43 WeakPolarHBondContact CB-OD2 3.42Å; K4-D43 PolarHBondContact N-OD1 3.37Å; K4-D43 PolarHBondContact O-N 3.31Å; K4-G75 WeakPolarHBondContact CE-O 3.39Å
5I98.6Very high94Very high1 Ų147.2 Ų47.21%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-67.7112.6175.9-59.3169.7000107.4Q3 L40 D41 V73 G75 K76 I81Q3-I5 PolarHBondContact O-N 3.27Å; I5-L40 HydrophobicContact CD1-CD1 4.17Å; I5-L40 HydrophobicContact CG2-CB 4.4Å; I5-L40 HydrophobicContact CG2-CD2 4.18Å; I5-D41 CarbonylContact C-O 3.5Å; I5-D41 WeakPolarHBondContact CA-O 3.49Å; I5-V73 HydrophobicContact CD1-CG1 3.72Å; I5-V73 HydrophobicContact CG2-CG1 4.38Å; I5-G75 PolarHBondContact O-N 3.07Å; I5-K76 PolarHBondContact N-O 3.11Å; I5-I81 HydrophobicContact CD1-CD1 3.82Å
6T98.4Very high94.1Very high74 Ų7446.2 Ų46.245%0.45424%0.239SC..EExtended strand (participates in β ladder)trans-94.6-24.8-177.450.80000112K4 D41 D43 V74K4-T6 PolarHBondContact O-N 3.5Å; K4-T6 VanDerWaalsContact O-N 3.15Å; T6-D41 PolarHBondContact N-O 3.17Å; T6-D41 PolarHBondContact OG1-O 2.88Å; T6-D43 HydrophobicContact CG2-CB 3.91Å; T6-V74 WeakPolarHBondContact O-CG1 3.35Å
7N98.5Very high94.1Very high71 Ų7144.1 Ų44.138%0.3823%0.229SC..EExtended strand (participates in β ladder)trans-154.5152.6-177.5-172.438.1000111.5T9 D41N7-T9 WeakPolarHBondContact ND2-CG2 3.3Å; N7-D41 HydrophobicContact CB-CB 4.09Å; N7-D41 PolarHBondContact N-O 3.13Å; N7-D41 PolarHBondContact ND2-OD2 2.76Å; N7-D41 VanDerWaalsContact ND2-OD2 3.13Å; N7-D41 PolarHBondContact O-N 3.36Å
8L98.8Very high94Very high16 Ų1642.9 Ų42.98%0.08423%0.225CC..EExtended strand (participates in β ladder)trans-128.2115.2170-174.5160.5000107.4V10 V38 V39 L40 V66 A70 V73 V74 V115L8-V10 HydrophobicContact CD2-CB 4.49Å; L8-V38 HydrophobicContact CD1-CG1 4.41Å; L8-V38 HydrophobicContact CD2-CG1 4.09Å; L8-V38 HydrophobicContact CG-CG1 4.05Å; L8-V39 WeakPolarHBondContact CA-O 3.34Å; L8-L40 HydrophobicContact CB-CD2 3.95Å; L8-L40 HydrophobicContact CD1-CD2 3.62Å; L8-L40 HydrophobicContact CG-CD2 3.64Å; L8-V66 HydrophobicContact CD2-CG1 3.61Å; L8-A70 HydrophobicContact CB-CB 4.29Å; L8-A70 HydrophobicContact CD1-CB 4.32Å; L8-A70 HydrophobicContact CD2-CB 4.39Å; L8-V73 HydrophobicContact CD1-CB 4.3Å; L8-V73 HydrophobicContact CD1-CG1 4.38Å; L8-V73 HydrophobicContact CD1-CG2 4.45Å; L8-V74 HydrophobicContact CB-CG2 4.02Å; L8-V115 HydrophobicContact CD1-CG1 4.49Å; L8-V115 HydrophobicContact CD1-CG2 4.14Å
9T98.7Very high93.7Very high49 Ų4946.2 Ų46.230%0.30124%0.242SC..EExtended strand (participates in β ladder)trans-104.2147.1171640000110.1N7 V38 V39N7-T9 WeakPolarHBondContact ND2-CG2 3.3Å; T9-V38 CarbonylContact O-C 3.49Å; T9-V38 WeakPolarHBondContact O-CA 3.48Å; T9-V39 PolarHBondContact N-O 2.81Å; T9-V39 PolarHBondContact O-N 2.77Å; T9-V39 WeakPolarHBondContact OG1-CB 3.2Å
10V98.9Very high93.2Very high20 Ų2050.8 Ų50.812%0.12126%0.262CS..EExtended strand (participates in β ladder)trans-139.2134.8174.455.50000109.6L8 A36 Y37 V38 V63 V66 Q67L8-V10 HydrophobicContact CD2-CB 4.49Å; V10-A36 HydrophobicContact CG2-CB 4.48Å; V10-Y37 CarbonylContact C-O 3.52Å; V10-Y37 VanDerWaalsContact CA-O 3.23Å; V10-Y37 WeakPolarHBondContact CA-O 3.3Å; V10-V38 HydrophobicContact CB-CG2 4.23Å; V10-V38 HydrophobicContact CG2-CG2 3.98Å; V10-V63 HydrophobicContact CG1-CG1 3.89Å; V10-V63 HydrophobicContact CG2-CB 4.3Å; V10-V63 HydrophobicContact CG2-CG1 4.12Å; V10-V63 HydrophobicContact CG2-CG2 3.97Å; V10-V66 HydrophobicContact CB-CB 4.26Å; V10-V66 HydrophobicContact CB-CG1 3.7Å; V10-V66 HydrophobicContact CG1-CB 4.16Å; V10-V66 HydrophobicContact CG1-CG1 3.83Å; V10-V66 HydrophobicContact CG2-CB 4.03Å; V10-V66 HydrophobicContact CG2-CG1 3.9Å; V10-V66 HydrophobicContact CG2-CG2 4.3Å; V10-Q67 HydrophobicContact CG1-CG 3.66Å
11R98.8Very high92.6Very high34 Ų3452.4 Ų52.413%0.12827%0.268CS..EExtended strand (participates in β ladder)trans-125.8141.4-176.7-67.4176.9-78.5-174.9-0.5110.4V13 Y37 E417 V420R11-V13 HydrophobicContact CB-CG2 4.26Å; R11-Y37 PolarHBondContact N-O 2.99Å; R11-Y37 PolarHBondContact O-N 2.81Å; R11-E417 IonicContact CZ-OE1 2.87Å; R11-E417 IonicContact CZ-OE2 3.35Å; R11-E417 IonicContact NH1-OE1 2.73Å; R11-E417 PolarHBondContact NH1-OE1 3.11Å; R11-E417 IonicContact NH1-OE2 3.62Å; R11-E417 PolarHBondContact NH1-OE2 3.22Å; R11-E417 IonicContact NH2-OE2 3.94Å; R11-E417 PolarHBondContact NH2-OE2 2.98Å; R11-V420 HydrophobicContact CB-CG1 4.48Å; R11-V420 VanDerWaalsContact CZ-CG1 3.42Å
12D98.8Very high93.7Very high14 Ų1446.2 Ų46.28%0.07524%0.237CC..EExtended strand (participates in β ladder)trans-86.3106174.4-171.1-28.9000108.2R14 T59 E60 V63 E424 Y425D12-R14 WeakPolarHBondContact OD1-CG 3.01Å; D12-R14 IonicContact OD1-CZ 2.7Å; D12-R14 IonicContact OD1-NE 3.44Å; D12-R14 PolarHBondContact OD1-NE 3.03Å; D12-R14 IonicContact OD1-NH2 3.52Å; D12-R14 IonicContact OD2-CZ 3.7Å; D12-R14 IonicContact OD2-NE 3.58Å; D12-R14 PolarHBondContact OD2-NE 2.93Å; D12-R14 IonicContact OD2-NH2 3.98Å; D12-R14 PolarHBondContact OD2-NH2 2.85Å; D12-T59 HydrophobicContact CB-CG2 4.32Å; D12-T59 WeakPolarHBondContact OD1-CB 3.44Å; D12-T59 WeakPolarHBondContact OD1-CG2 3.37Å; D12-E60 PolarHBondContact OD2-N 3.1Å; D12-V63 HydrophobicContact CB-CG2 4.04Å; D12-E424 CarbonylContact O-C 3.51Å; D12-E424 VanDerWaalsContact O-CA 3.26Å; D12-E424 WeakPolarHBondContact O-CA 3.06Å; D12-Y425 PolarHBondContact O-N 3.05Å
13V98.8Very high94Very high0 Ų040.4 Ų40.40%021%0.208CC..EExtended strand (participates in β ladder)trans-114.6122.1-176.5-171.80000108.9R11 F15 S34 A35 M415 V420 H423R11-V13 HydrophobicContact CB-CG2 4.26Å; V13-F15 HydrophobicContact CG1-CE2 3.89Å; V13-F15 HydrophobicContact CG1-CZ 3.91Å; V13-S34 CarbonylContact O-C 3.52Å; V13-S34 VanDerWaalsContact O-CA 3.25Å; V13-S34 WeakPolarHBondContact O-CA 3.2Å; V13-S34 WeakPolarHBondContact O-CB 3.28Å; V13-A35 PolarHBondContact N-O 3.49Å; V13-A35 PolarHBondContact O-N 3.44Å; V13-M415 HydrophobicContact CG1-CE 4.18Å; V13-V420 HydrophobicContact CG2-CG1 3.83Å; V13-H423 HydrophobicContact CG1-CB 3.87Å
14R98.6Very high93.6Very high11 Ų1139.5 Ų39.54%0.04220%0.204CC..EExtended strand (participates in β ladder)trans-131.2135.8-175.8-48.7-171.2-171.6-169.2-1.2111.6D12 S34 G56 E60 H423 Y425 W431D12-R14 WeakPolarHBondContact OD1-CG 3.01Å; D12-R14 IonicContact OD1-CZ 2.7Å; D12-R14 IonicContact OD1-NE 3.44Å; D12-R14 PolarHBondContact OD1-NE 3.03Å; D12-R14 IonicContact OD1-NH2 3.52Å; D12-R14 IonicContact OD2-CZ 3.7Å; D12-R14 IonicContact OD2-NE 3.58Å; D12-R14 PolarHBondContact OD2-NE 2.93Å; D12-R14 IonicContact OD2-NH2 3.98Å; D12-R14 PolarHBondContact OD2-NH2 2.85Å; R14-S34 WeakPolarHBondContact CA-OG 3.28Å; R14-S34 VanDerWaalsContact CB-OG 3.24Å; R14-S34 WeakPolarHBondContact CB-OG 3.29Å; R14-S34 VanDerWaalsContact CG-OG 3.24Å; R14-S34 WeakPolarHBondContact CG-OG 3.25Å; R14-G56 PolarHBondContact NH1-O 3.3Å; R14-E60 IonicContact CZ-OE2 3.91Å; R14-E60 IonicContact NH1-OE2 2.88Å; R14-E60 IonicContact NH2-OE2 2.84Å; R14-E60 PolarHBondContact NH2-OE2 3.36Å; R14-H423 PolarHBondContact N-O 3.2Å; R14-H423 WeakPolarHBondContact O-CB 3.22Å; R14-Y425 HydrophobicContact CG-CG 4.37Å; R14-Y425 VanDerWaalsContact CZ-CD1 3.49Å; R14-W431 HydrophobicContact CB-CH2 4.38Å; R14-W431 HydrophobicContact CB-CZ2 3.35Å; R14-W431 WeakPolarHBondContact O-CZ2 3.44Å; R14-W431 PolarHBondContact O-NE1 3.41Å
15F98.1Very high93.2Very high3 Ų335.3 Ų35.31%0.01319%0.186CC..  trans-109.1131177.6-59.1-86.1000109.2V13 T17 D32 Y33 V356 L388 H391 M415 H423V13-F15 HydrophobicContact CG1-CE2 3.89Å; V13-F15 HydrophobicContact CG1-CZ 3.91Å; F15-T17 HydrophobicContact CB-CG2 4.29Å; F15-T17 PolarHBondContact O-N 3.4Å; F15-D32 CarbonylContact O-C 3.42Å; F15-D32 WeakPolarHBondContact O-CA 3.41Å; F15-D32 WeakPolarHBondContact O-CB 3.19Å; F15-Y33 WeakPolarHBondContact CB-O 3.23Å; F15-Y33 WeakPolarHBondContact CD2-O 3.43Å; F15-Y33 PolarHBondContact N-O 3.15Å; F15-Y33 PolarHBondContact O-N 3.45Å; F15-V356 HydrophobicContact CD2-CG2 3.59Å; F15-V356 HydrophobicContact CE2-CG1 3.91Å; F15-V356 HydrophobicContact CE2-CG2 3.82Å; F15-L388 HydrophobicContact CB-CD1 3.9Å; F15-L388 HydrophobicContact CB-CD2 4.02Å; F15-L388 HydrophobicContact CD1-CD1 4.49Å; F15-L388 HydrophobicContact CD1-CD2 3.86Å; F15-L388 HydrophobicContact CD2-CD1 3.8Å; F15-L388 HydrophobicContact CE2-CD1 4.47Å; F15-L388 HydrophobicContact CG-CD1 3.8Å; F15-L388 HydrophobicContact CG-CD2 3.91Å; F15-L388 HydrophobicContact CG-CG 4.48Å; F15-H391 AromaticContact CD1-CD2 3.8Å; F15-H391 AromaticContact CD1-NE2 3.63Å; F15-H391 HydrophobicContact CE1-CB 4.4Å; F15-H391 AromaticContact CE1-CD2 3.18Å; F15-H391 WeakPolarHBondContact CE1-CD2 3.33Å; F15-H391 AromaticContact CE1-CE1 3.85Å; F15-H391 AromaticContact CE1-CG 3.62Å; F15-H391 AromaticContact CE1-NE2 3.32Å; F15-H391 VanDerWaalsContact CE1-NE2 3.32Å; F15-H391 WeakPolarHBondContact CE1-NE2 3.19Å; F15-H391 HydrophobicContact CZ-CB 4.25Å; F15-H391 AromaticContact CZ-CD2 3.71Å; F15-H391 AromaticContact CZ-CG 3.95Å; F15-M415 HydrophobicContact CE2-CE 3.92Å; F15-M415 HydrophobicContact CZ-CE 3.57Å; F15-H423 HydrophobicContact CD1-CB 4.31Å; F15-H423 AromaticContact CD1-CD2 3.52Å; F15-H423 AromaticContact CD1-CG 3.77Å; F15-H423 AromaticContact CD1-NE2 3.86Å; F15-H423 HydrophobicContact CE1-CB 4.03Å; F15-H423 AromaticContact CE1-CD2 3.79Å; F15-H423 AromaticContact CE1-CE1 3.92Å; F15-H423 AromaticContact CE1-CG 3.57Å; F15-H423 AromaticContact CE1-ND1 3.67Å; F15-H423 HydrophobicContact CZ-CB 4.43Å
16P96.3Very high92.6Very high31 Ų3135.5 Ų35.520%0.20119%0.188CC..  trans-79.954.5-174.135.6-38.9000112S18 L19 D32 V430 W431P16-S18 PolarHBondContact O-N 3.21Å; P16-L19 HydrophobicContact CB-CD1 3.82Å; P16-L19 HydrophobicContact CB-CG 4.13Å; P16-L19 HydrophobicContact CG-CD1 4.21Å; P16-L19 WeakPolarHBondContact O-CB 3.43Å; P16-L19 WeakPolarHBondContact O-CG 3.47Å; P16-L19 PolarHBondContact O-N 2.93Å; P16-D32 VanDerWaalsContact CA-OD1 3.32Å; P16-D32 WeakPolarHBondContact CA-OD1 3.26Å; P16-V430 HydrophobicContact CG-CG1 3.82Å; P16-W431 HydrophobicContact CB-CH2 4.1Å; P16-W431 HydrophobicContact CB-CZ2 4.39Å
17T93.4Very high92.3Very high10 Ų1035.6 Ų35.66%0.06118%0.184CC..G310 helixtrans-64.8-23.3-176.645.70000113F15 L19 E20 Q21 H22 P31 D32 Y33 L388F15-T17 HydrophobicContact CB-CG2 4.29Å; F15-T17 PolarHBondContact O-N 3.4Å; T17-L19 PolarHBondContact O-N 3.01Å; T17-E20 PolarHBondContact O-N 3.21Å; T17-Q21 PolarHBondContact O-N 3.36Å; T17-H22 PolarHBondContact O-N 3.48Å; T17-P31 PolarHBondContact OG1-O 2.7Å; T17-D32 PolarHBondContact N-OD1 3.26Å; T17-D32 WeakPolarHBondContact OG1-CA 3.5Å; T17-Y33 HydrophobicContact CG2-CD2 4.32Å; T17-Y33 HydrophobicContact CG2-CG 4.16Å; T17-Y33 PolarHBondContact OG1-N 2.83Å; T17-L388 HydrophobicContact CG2-CD1 4.23Å
18S92.2Very high91.9Very high23 Ų2334.3 Ų34.316%0.16118%0.176CC..G310 helixtrans-61.6-27176.863.30000113.3P16 E20 Q21 P31 D32P16-S18 PolarHBondContact O-N 3.21Å; S18-E20 PolarHBondContact O-N 3.24Å; S18-Q21 PolarHBondContact O-N 3.08Å; S18-Q21 VanDerWaalsContact O-N 3.13Å; S18-Q21 PolarHBondContact O-NE2 3.22Å; S18-P31 PolarHBondContact N-O 3.27Å; S18-P31 VanDerWaalsContact N-O 3.12Å; S18-D32 WeakPolarHBondContact CB-OD1 2.81Å; S18-D32 PolarHBondContact N-OD1 2.89Å; S18-D32 PolarHBondContact OG-OD1 3Å
19L89.4Confident91.5Very high106 Ų10637.6 Ų37.656%0.55520%0.197SC*.G310 helixtrans-60.6-29.9179.4-65179.9000112.8P16 T17P16-L19 HydrophobicContact CB-CD1 3.82Å; P16-L19 HydrophobicContact CB-CG 4.13Å; P16-L19 HydrophobicContact CG-CD1 4.21Å; P16-L19 WeakPolarHBondContact O-CB 3.43Å; P16-L19 WeakPolarHBondContact O-CG 3.47Å; P16-L19 PolarHBondContact O-N 2.93Å; T17-L19 PolarHBondContact O-N 3.01Å
20E83.2Confident91.1Very high138 Ų13840.1 Ų40.165%0.64521%0.209SC*.G310 helixtrans-113.110.2179.4-62.1-173.2-165.900112.3T17 S18 H22T17-E20 PolarHBondContact O-N 3.21Å; S18-E20 PolarHBondContact O-N 3.24Å; E20-H22 PolarHBondContact O-N 3.08Å; E20-H22 VanDerWaalsContact O-N 3.15Å; E20-H22 IonicContact OE2-CD2 3.84Å; E20-H22 IonicContact OE2-NE2 2.93Å; E20-H22 PolarHBondContact OE2-NE2 3.33Å; E20-H22 VanDerWaalsContact OE2-NE2 3.16Å
21Q80.3Confident90.9Very high84 Ų8439.4 Ų39.439%0.39320%0.204SC..THydrogen-bonded Turntrans58.621-179.5-58-70.8-6400113.9T17 S18 S24 T29T17-Q21 PolarHBondContact O-N 3.36Å; S18-Q21 PolarHBondContact O-N 3.08Å; S18-Q21 VanDerWaalsContact O-N 3.13Å; S18-Q21 PolarHBondContact O-NE2 3.22Å; Q21-S24 WeakPolarHBondContact O-CB 3.38Å; Q21-S24 PolarHBondContact O-N 3.1Å; Q21-S24 PolarHBondContact O-OG 3.5Å; Q21-T29 PolarHBondContact OE1-O 3.03Å
22H82.1Confident90.8Very high38 Ų3839.4 Ų39.418%0.17621%0.207CC..THydrogen-bonded Turntrans-68135.5175.1-65.2-34.2000110.5T17 E20 S24 Y196 H387T17-H22 PolarHBondContact O-N 3.48Å; E20-H22 PolarHBondContact O-N 3.08Å; E20-H22 VanDerWaalsContact O-N 3.15Å; E20-H22 IonicContact OE2-CD2 3.84Å; E20-H22 IonicContact OE2-NE2 2.93Å; E20-H22 PolarHBondContact OE2-NE2 3.33Å; E20-H22 VanDerWaalsContact OE2-NE2 3.16Å; H22-S24 PolarHBondContact O-N 3Å; H22-Y196 PolarHBondContact CE1-OH 3.12Å; H22-Y196 PolarHBondContact ND1-OH 3.22Å; H22-H387 WeakPolarHBondContact CB-NE2 3.39Å; H22-H387 AromaticContact CD2-CD2 3.73Å; H22-H387 AromaticContact CD2-NE2 3.33Å; H22-H387 PolarHBondContact CD2-NE2 2.88Å; H22-H387 VanDerWaalsContact CD2-NE2 3.33Å; H22-H387 AromaticContact CE1-NE2 3.77Å; H22-H387 AromaticContact CG-CD2 3.79Å; H22-H387 AromaticContact CG-NE2 3.13Å; H22-H387 AromaticContact ND1-NE2 3.43Å; H22-H387 PolarHBondContact ND1-NE2 2.96Å; H22-H387 AromaticContact NE2-NE2 3.68Å
23G82.2Confident90.8Very high3 Ų339.5 Ų39.53%0.03121%0.206CC..THydrogen-bonded Turntrans780.7-176.600000115D25 Y33G23-D25 PolarHBondContact O-N 3.15Å; G23-Y33 WeakPolarHBondContact CA-OH 3.41Å
24S84.6Confident90.8Very high4 Ų439.5 Ų39.53%0.02821%0.206CC..  trans-63.4131.6178.757.20000112.3Q21 H22 H28 T29 L194Q21-S24 WeakPolarHBondContact O-CB 3.38Å; Q21-S24 PolarHBondContact O-N 3.1Å; Q21-S24 PolarHBondContact O-OG 3.5Å; H22-S24 PolarHBondContact O-N 3Å; S24-H28 WeakPolarHBondContact CA-O 3.46Å; S24-T29 WeakPolarHBondContact CB-O 3.49Å; S24-L194 PolarHBondContact O-N 3.07Å
25D88.6Confident90.8Very high11 Ų1139 Ų396%0.05920%0.204CC..  trans-135.8-176.2176.272.955.5000111.8G23 M27 H28 L194 K219 N249G23-D25 PolarHBondContact O-N 3.15Å; D25-M27 PolarHBondContact O-N 2.93Å; D25-M27 WeakPolarHBondContact OD1-CA 3.44Å; D25-M27 WeakPolarHBondContact OD1-CB 3.12Å; D25-M27 PolarHBondContact OD1-N 3.02Å; D25-H28 PolarHBondContact N-O 3.19Å; D25-H28 IonicContact OD1-CG 2.72Å; D25-H28 PolarHBondContact OD1-N 2.87Å; D25-H28 IonicContact OD1-ND1 3.32Å; D25-H28 PolarHBondContact OD1-ND1 3.43Å; D25-H28 IonicContact OD2-CG 2.73Å; D25-H28 IonicContact OD2-ND1 3.48Å; D25-H28 PolarHBondContact OD2-ND1 2.8Å; D25-L194 VanDerWaalsContact C-CD1 3.43Å; D25-K219 HydrophobicContact CB-CD 4.02Å; D25-K219 HydrophobicContact CB-CG 4.15Å; D25-N249 HydrophobicContact CB-CB 4.38Å; D25-N249 VanDerWaalsContact CB-OD1 3.23Å; D25-N249 WeakPolarHBondContact CB-OD1 3.13Å; D25-N249 WeakPolarHBondContact OD1-CB 3.49Å
26A86.7Confident90.8Very high5 Ų538.9 Ų38.94%0.04120%0.204CC..SBendtrans-70.4-21-173.100000113.1L194 V220 A222 R251A26-L194 VanDerWaalsContact CA-CD1 3.5Å; A26-L194 HydrophobicContact CB-CD1 3.79Å; A26-V220 VanDerWaalsContact CB-O 3.32Å; A26-V220 WeakPolarHBondContact CB-O 3.48Å; A26-A222 HydrophobicContact CB-CB 4.09Å; A26-R251 HydrophobicContact CB-CG 3.52Å; A26-R251 VanDerWaalsContact O-CD 3.27Å; A26-R251 WeakPolarHBondContact O-CD 3.49Å; A26-R251 PolarHBondContact O-NE 3.12Å; A26-R251 PolarHBondContact O-NH1 3.25Å
27M91.4Very high90.9Very high76 Ų7637.4 Ų37.437%0.37419%0.194SC..SBendtrans-101.9-45.8178.7-170.263.47800111.7D25 N249 Q250 R251D25-M27 PolarHBondContact O-N 2.93Å; D25-M27 WeakPolarHBondContact OD1-CA 3.44Å; D25-M27 WeakPolarHBondContact OD1-CB 3.12Å; D25-M27 PolarHBondContact OD1-N 3.02Å; M27-N249 HydrophobicContact CB-CB 4.17Å; M27-N249 WeakPolarHBondContact CB-O 3.24Å; M27-Q250 HydrophobicContact CE-CB 4.39Å; M27-R251 HydrophobicContact CE-CG 4.34Å
28H90.6Very high91.2Very high44 Ų4437 Ų3720%0.20419%0.191CC..  trans-106.290.9-178.3-41.7100.9000109.6S24 D25 L55S24-H28 WeakPolarHBondContact CA-O 3.46Å; D25-H28 PolarHBondContact N-O 3.19Å; D25-H28 IonicContact OD1-CG 2.72Å; D25-H28 PolarHBondContact OD1-N 2.87Å; D25-H28 IonicContact OD1-ND1 3.32Å; D25-H28 PolarHBondContact OD1-ND1 3.43Å; D25-H28 IonicContact OD2-CG 2.73Å; D25-H28 IonicContact OD2-ND1 3.48Å; D25-H28 PolarHBondContact OD2-ND1 2.8Å; H28-L55 HydrophobicContact CB-CD1 3.85Å; H28-L55 WeakPolarHBondContact CD2-CD1 3.37Å; H28-L55 VanDerWaalsContact CG-CD1 3.5Å
29T89.7Confident91.5Very high85 Ų8536.1 Ų36.152%0.52119%0.185SC..SBendtrans-79.6-26.1-171.450.60000114.2Q21 S24Q21-T29 PolarHBondContact OE1-O 3.03Å; S24-T29 WeakPolarHBondContact CB-O 3.49Å
30D90.8Very high92Very high103 Ų10331 Ų3155%0.55116%0.159SC*.SBendtrans-139.554.6-172.559.2-27.1000112.3D32D30-D32 PolarHBondContact O-N 2.96Å
31P93.8Very high92.7Very high4 Ų426 Ų263%0.02614%0.136CC..  trans-71.2132.9-176.530.4-34.1000111.6T17 S18 Y33 L55T17-P31 PolarHBondContact OG1-O 2.7Å; S18-P31 PolarHBondContact N-O 3.27Å; S18-P31 VanDerWaalsContact N-O 3.12Å; P31-Y33 HydrophobicContact CB-CD1 4.05Å; P31-Y33 HydrophobicContact CB-CE1 4.05Å; P31-Y33 HydrophobicContact CG-CD1 4.42Å; P31-Y33 HydrophobicContact CG-CE1 4.07Å; P31-L55 HydrophobicContact CB-CB 4.15Å; P31-L55 HydrophobicContact CB-CD1 4.41Å; P31-L55 HydrophobicContact CB-CD2 3.77Å; P31-L55 HydrophobicContact CB-CG 4.33Å
32D97.5Very high93.6Very high35 Ų3522.5 Ų22.519%0.18712%0.12CC..  trans-100.594.6163.3-76-32.3000108.1F15 P16 T17 S18 D30 S34 L55 G56 W431F15-D32 CarbonylContact O-C 3.42Å; F15-D32 WeakPolarHBondContact O-CA 3.41Å; F15-D32 WeakPolarHBondContact O-CB 3.19Å; P16-D32 VanDerWaalsContact CA-OD1 3.32Å; P16-D32 WeakPolarHBondContact CA-OD1 3.26Å; T17-D32 PolarHBondContact N-OD1 3.26Å; T17-D32 WeakPolarHBondContact OG1-CA 3.5Å; S18-D32 WeakPolarHBondContact CB-OD1 2.81Å; S18-D32 PolarHBondContact N-OD1 2.89Å; S18-D32 PolarHBondContact OG-OD1 3Å; D30-D32 PolarHBondContact O-N 2.96Å; D32-S34 PolarHBondContact O-N 3.43Å; D32-S34 PolarHBondContact O-OG 2.95Å; D32-L55 PolarHBondContact N-O 3.12Å; D32-L55 CarbonylContact O-C 3.54Å; D32-L55 WeakPolarHBondContact O-CA 3.37Å; D32-G56 WeakPolarHBondContact O-CA 3.48Å; D32-G56 PolarHBondContact O-N 3.45Å; D32-W431 HydrophobicContact CB-CH2 4.49Å
33Y98Very high94.3Very high16 Ų1624.2 Ų24.26%0.06313%0.131CC..  trans-52.3125.3-177.9-80.911.9000110.4F15 T17 G23 P31 F53 L55 G355 L388F15-Y33 WeakPolarHBondContact CB-O 3.23Å; F15-Y33 WeakPolarHBondContact CD2-O 3.43Å; F15-Y33 PolarHBondContact N-O 3.15Å; F15-Y33 PolarHBondContact O-N 3.45Å; T17-Y33 HydrophobicContact CG2-CD2 4.32Å; T17-Y33 HydrophobicContact CG2-CG 4.16Å; T17-Y33 PolarHBondContact OG1-N 2.83Å; G23-Y33 WeakPolarHBondContact CA-OH 3.41Å; P31-Y33 HydrophobicContact CB-CD1 4.05Å; P31-Y33 HydrophobicContact CB-CE1 4.05Å; P31-Y33 HydrophobicContact CG-CD1 4.42Å; P31-Y33 HydrophobicContact CG-CE1 4.07Å; Y33-F53 AromaticContact CD1-CE2 3.92Å; Y33-F53 HydrophobicContact CD1-CE2 3.92Å; Y33-F53 AromaticContact CD1-CZ 3.86Å; Y33-F53 HydrophobicContact CD1-CZ 3.86Å; Y33-F53 HydrophobicContact CD2-CE2 4.37Å; Y33-F53 HydrophobicContact CE1-CE2 4.46Å; Y33-F53 HydrophobicContact CE1-CZ 4Å; Y33-F53 AromaticContact CG-CE2 3.86Å; Y33-F53 HydrophobicContact CG-CE2 3.86Å; Y33-F53 HydrophobicContact CG-CZ 4.23Å; Y33-L55 HydrophobicContact CD1-CD2 4.03Å; Y33-L55 HydrophobicContact CE1-CD2 4.1Å; Y33-G355 WeakPolarHBondContact CD2-O 3.33Å; Y33-G355 VanDerWaalsContact CE2-CA 3.49Å; Y33-L388 HydrophobicContact CD2-CD1 4.08Å
34S98.8Very high94.9Very high0 Ų025.7 Ų25.70%014%0.141CC..EExtended strand (participates in β ladder)trans-142.7158.5-167.7-63.30000112V13 R14 D32 F53 T54 G56 T59V13-S34 CarbonylContact O-C 3.52Å; V13-S34 VanDerWaalsContact O-CA 3.25Å; V13-S34 WeakPolarHBondContact O-CA 3.2Å; V13-S34 WeakPolarHBondContact O-CB 3.28Å; R14-S34 WeakPolarHBondContact CA-OG 3.28Å; R14-S34 VanDerWaalsContact CB-OG 3.24Å; R14-S34 WeakPolarHBondContact CB-OG 3.29Å; R14-S34 VanDerWaalsContact CG-OG 3.24Å; R14-S34 WeakPolarHBondContact CG-OG 3.25Å; D32-S34 PolarHBondContact O-N 3.43Å; D32-S34 PolarHBondContact O-OG 2.95Å; S34-F53 WeakPolarHBondContact O-CA 3.48Å; S34-F53 WeakPolarHBondContact O-CD2 3.49Å; S34-T54 WeakPolarHBondContact CB-OG1 3.46Å; S34-T54 PolarHBondContact N-O 3.21Å; S34-T54 PolarHBondContact O-N 3Å; S34-G56 VanDerWaalsContact OG-CA 3.23Å; S34-G56 WeakPolarHBondContact OG-CA 3.49Å; S34-G56 PolarHBondContact OG-N 3.22Å; S34-T59 WeakPolarHBondContact CB-OG1 3.38Å
35A98.8Very high95.4Very high0 Ų028.2 Ų28.20%017%0.168CC..EExtended strand (participates in β ladder)trans-137.8134.1179.400000111.2V13 Y37 L51 T52 V356V13-A35 PolarHBondContact N-O 3.49Å; V13-A35 PolarHBondContact O-N 3.44Å; A35-Y37 PolarHBondContact O-N 2.96Å; A35-L51 HydrophobicContact CB-CB 4.24Å; A35-T52 VanDerWaalsContact CA-O 3.3Å; A35-T52 WeakPolarHBondContact CA-O 3.44Å; A35-V356 HydrophobicContact CB-CB 4.35Å; A35-V356 HydrophobicContact CB-CG1 3.9Å
36A98.9Very high95.8Very high0 Ų030 Ų300%018%0.177CC..EExtended strand (participates in β ladder)trans-83.296.5158.900000107.7V10 L51 T52 T59 V62 V63V10-A36 HydrophobicContact CG2-CB 4.48Å; A36-L51 WeakPolarHBondContact O-CA 3.42Å; A36-T52 HydrophobicContact CB-CG2 4.08Å; A36-T52 PolarHBondContact N-O 2.73Å; A36-T52 VanDerWaalsContact N-O 3.07Å; A36-T52 PolarHBondContact O-N 3.44Å; A36-T59 HydrophobicContact CB-CG2 4.3Å; A36-V62 HydrophobicContact CB-CB 4.16Å; A36-V62 HydrophobicContact CB-CG1 3.68Å; A36-V63 HydrophobicContact CB-CG2 4.01Å
37Y98.9Very high96.4Very high1 Ų134 Ų340%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-90.3119.3-170.6-177.9-126.7000111.6V10 R11 A35 V39 F49 G50 L51 C413 M415 V420V10-Y37 CarbonylContact C-O 3.52Å; V10-Y37 VanDerWaalsContact CA-O 3.23Å; V10-Y37 WeakPolarHBondContact CA-O 3.3Å; R11-Y37 PolarHBondContact N-O 2.99Å; R11-Y37 PolarHBondContact O-N 2.81Å; A35-Y37 PolarHBondContact O-N 2.96Å; Y37-V39 HydrophobicContact CD1-CG2 4.41Å; Y37-V39 HydrophobicContact CE1-CG2 3.93Å; Y37-F49 HydrophobicContact CE2-CB 4.36Å; Y37-F49 AromaticContact CZ-CD1 3.92Å; Y37-F49 WeakPolarHBondContact OH-CD1 3.42Å; Y37-G50 WeakPolarHBondContact CD2-O 3.23Å; Y37-L51 HydrophobicContact CD2-CB 4.3Å; Y37-C413 WeakPolarHBondContact CE2-O 3.4Å; Y37-M415 HydrophobicContact CD1-SD 4.43Å; Y37-M415 HydrophobicContact CD2-CG 4.24Å; Y37-M415 HydrophobicContact CD2-SD 3.84Å; Y37-M415 HydrophobicContact CE1-CB 4.28Å; Y37-M415 HydrophobicContact CE2-CB 4.27Å; Y37-M415 HydrophobicContact CE2-CG 3.91Å; Y37-M415 HydrophobicContact CE2-SD 4.13Å; Y37-M415 HydrophobicContact CG-SD 4.01Å; Y37-M415 PolarHBondContact OH-N 3.48Å; Y37-M415 VanDerWaalsContact OH-N 3.1Å; Y37-V420 HydrophobicContact CD1-CG1 4.14Å; Y37-V420 HydrophobicContact CD1-CG2 3.81Å; Y37-V420 HydrophobicContact CE1-CG2 3.72Å
38V98.9Very high96.7Very high0 Ų030.4 Ų30.40%018%0.176CC..EExtended strand (participates in β ladder)trans-108.3135.4-173.5-179.80000111L8 T9 V10 L40 F49 G50 V66 A114 A118L8-V38 HydrophobicContact CD1-CG1 4.41Å; L8-V38 HydrophobicContact CD2-CG1 4.09Å; L8-V38 HydrophobicContact CG-CG1 4.05Å; T9-V38 CarbonylContact O-C 3.49Å; T9-V38 WeakPolarHBondContact O-CA 3.48Å; V10-V38 HydrophobicContact CB-CG2 4.23Å; V10-V38 HydrophobicContact CG2-CG2 3.98Å; V38-L40 HydrophobicContact CG1-CD2 4.45Å; V38-F49 WeakPolarHBondContact O-CA 3.44Å; V38-G50 PolarHBondContact N-O 2.86Å; V38-G50 PolarHBondContact O-N 2.88Å; V38-V66 HydrophobicContact CG2-CG1 3.77Å; V38-V66 HydrophobicContact CG2-CG2 4.2Å; V38-A114 HydrophobicContact CG2-CB 3.76Å; V38-A118 HydrophobicContact CG1-CB 4.15Å
39V98.9Very high97.1Very high5 Ų529.1 Ų29.13%0.0317%0.17CC..EExtended strand (participates in β ladder)trans-126.7126170.7-168.70000109.9L8 T9 Y37 K47 G48 F49L8-V39 WeakPolarHBondContact CA-O 3.34Å; T9-V39 PolarHBondContact N-O 2.81Å; T9-V39 PolarHBondContact O-N 2.77Å; T9-V39 WeakPolarHBondContact OG1-CB 3.2Å; Y37-V39 HydrophobicContact CD1-CG2 4.41Å; Y37-V39 HydrophobicContact CE1-CG2 3.93Å; V39-K47 HydrophobicContact CG1-CB 4.36Å; V39-K47 HydrophobicContact CG1-CD 4.07Å; V39-G48 CarbonylContact C-O 3.59Å; V39-G48 WeakPolarHBondContact CA-O 3.29Å; V39-F49 HydrophobicContact CB-CD1 4.38Å; V39-F49 HydrophobicContact CG1-CD1 3.89Å; V39-F49 HydrophobicContact CG1-CE1 3.73Å; V39-F49 HydrophobicContact CG2-CD1 3.9Å; V39-F49 HydrophobicContact CG2-CE1 4.18Å
40L98.9Very high97.6Very high0 Ų025.1 Ų25.10%015%0.145CC..EExtended strand (participates in β ladder)trans-97.4116.9171.1-58.3177.4000108.9I5 L8 V38 K47 G48 V73 A118 V119I5-L40 HydrophobicContact CD1-CD1 4.17Å; I5-L40 HydrophobicContact CG2-CB 4.4Å; I5-L40 HydrophobicContact CG2-CD2 4.18Å; L8-L40 HydrophobicContact CB-CD2 3.95Å; L8-L40 HydrophobicContact CD1-CD2 3.62Å; L8-L40 HydrophobicContact CG-CD2 3.64Å; V38-L40 HydrophobicContact CG1-CD2 4.45Å; L40-K47 VanDerWaalsContact O-CA 3.27Å; L40-K47 WeakPolarHBondContact O-CA 3.29Å; L40-G48 PolarHBondContact N-O 3.09Å; L40-G48 PolarHBondContact O-N 3.21Å; L40-V73 HydrophobicContact CD2-CG1 4.17Å; L40-A118 HydrophobicContact CD1-CB 3.66Å; L40-A118 HydrophobicContact CG-CB 3.75Å; L40-V119 HydrophobicContact CD1-CG2 3.7Å
41D98.5Very high98Very high31 Ų3120.2 Ų20.217%0.16612%0.119CC..EExtended strand (participates in β ladder)trans-90.8142.2170.9-56.5-73000109.7I5 T6 N7 K47I5-D41 CarbonylContact C-O 3.5Å; I5-D41 WeakPolarHBondContact CA-O 3.49Å; T6-D41 PolarHBondContact N-O 3.17Å; T6-D41 PolarHBondContact OG1-O 2.88Å; N7-D41 HydrophobicContact CB-CB 4.09Å; N7-D41 PolarHBondContact N-O 3.13Å; N7-D41 PolarHBondContact ND2-OD2 2.76Å; N7-D41 VanDerWaalsContact ND2-OD2 3.13Å; N7-D41 PolarHBondContact O-N 3.36Å; D41-K47 VanDerWaalsContact OD1-CE 3.23Å; D41-K47 WeakPolarHBondContact OD1-CE 3.08Å; D41-K47 IonicContact OD1-NZ 3.58Å; D41-K47 PolarHBondContact OD1-NZ 2.83Å
42T98.5Very high98.2Very high11 Ų1120 Ų207%0.06712%0.117CC..EExtended strand (participates in β ladder)trans-115.3164.7175.771.10000112.8Q3 K4 S44 G45 L46 L122Q3-T42 PolarHBondContact OE1-OG1 3.19Å; K4-T42 CarbonylContact O-C 3.55Å; K4-T42 WeakPolarHBondContact O-CA 3.4Å; T42-S44 PolarHBondContact O-N 3.21Å; T42-S44 PolarHBondContact OG1-N 2.72Å; T42-S44 PolarHBondContact OG1-OG 2.76Å; T42-G45 PolarHBondContact O-N 3.27Å; T42-L46 WeakPolarHBondContact CB-O 3.14Å; T42-L46 WeakPolarHBondContact CG2-O 3.1Å; T42-L46 PolarHBondContact N-O 3.3Å; T42-L46 PolarHBondContact OG1-N 3.43Å; T42-L46 PolarHBondContact OG1-O 3.44Å; T42-L122 HydrophobicContact CG2-CD1 3.97Å; T42-L122 HydrophobicContact CG2-CD2 3.71Å
43D97.1Very high98.2Very high75 Ų7519.6 Ų19.640%0.40111%0.114SC..THydrogen-bonded Turntrans-64.9-12.7173.966.3-10.8000114.6Q3 K4 T6Q3-D43 WeakPolarHBondContact CA-OD1 3.45Å; Q3-D43 PolarHBondContact N-OD1 3.01Å; K4-D43 HydrophobicContact CB-CB 4.41Å; K4-D43 WeakPolarHBondContact CB-OD2 3.42Å; K4-D43 PolarHBondContact N-OD1 3.37Å; K4-D43 PolarHBondContact O-N 3.31Å; T6-D43 HydrophobicContact CG2-CB 3.91Å
44S94.9Very high98.3Very high33 Ų3319.7 Ų19.723%0.23112%0.116CC..THydrogen-bonded Turntrans-95.6-10.5178.384.50000114.5M1 Q3 T42 L46M1-S44 VanDerWaalsContact SD-CA 3.59Å; Q3-S44 VanDerWaalsContact CD-OG 3.23Å; Q3-S44 PolarHBondContact NE2-OG 3.44Å; Q3-S44 VanDerWaalsContact NE2-OG 3.13Å; Q3-S44 VanDerWaalsContact OE1-CB 3.27Å; Q3-S44 PolarHBondContact OE1-OG 2.87Å; T42-S44 PolarHBondContact O-N 3.21Å; T42-S44 PolarHBondContact OG1-N 2.72Å; T42-S44 PolarHBondContact OG1-OG 2.76Å; S44-L46 VanDerWaalsContact C-N 3.33Å; S44-L46 WeakPolarHBondContact OG-CB 3.27Å; S44-L46 PolarHBondContact OG-N 2.73Å; S44-L46 VanDerWaalsContact OG-N 3.15Å
45G95.3Very high98.2Very high58 Ų5822.4 Ų22.460%0.59813%0.131SC*.SBendtrans88.2-10.9-169.600000114.7T42T42-G45 PolarHBondContact O-N 3.27Å
46L97.3Very high98.2Very high49 Ų4922.5 Ų22.526%0.25713%0.132SC..  trans-66.5143.6170-167.466.5000110T42 S44 L122 R125 L126T42-L46 WeakPolarHBondContact CB-O 3.14Å; T42-L46 WeakPolarHBondContact CG2-O 3.1Å; T42-L46 PolarHBondContact N-O 3.3Å; T42-L46 PolarHBondContact OG1-N 3.43Å; T42-L46 PolarHBondContact OG1-O 3.44Å; S44-L46 VanDerWaalsContact C-N 3.33Å; S44-L46 WeakPolarHBondContact OG-CB 3.27Å; S44-L46 PolarHBondContact OG-N 2.73Å; S44-L46 VanDerWaalsContact OG-N 3.15Å; L46-L122 HydrophobicContact CB-CD1 4.23Å; L46-L122 HydrophobicContact CD2-CD1 3.64Å; L46-L122 HydrophobicContact CG-CD1 3.66Å; L46-R125 HydrophobicContact CD1-CB 4.25Å; L46-L126 HydrophobicContact CD2-CB 3.86Å; L46-L126 HydrophobicContact CD2-CD1 3.95Å
47K98.6Very high98.2Very high88 Ų8831.8 Ų31.838%0.38317%0.172SC..EExtended strand (participates in β ladder)trans-123.4149.3-179.2-60-169.7-178.8-137.70111.7V39 L40 D41 F49 R125V39-K47 HydrophobicContact CG1-CB 4.36Å; V39-K47 HydrophobicContact CG1-CD 4.07Å; L40-K47 VanDerWaalsContact O-CA 3.27Å; L40-K47 WeakPolarHBondContact O-CA 3.29Å; D41-K47 VanDerWaalsContact OD1-CE 3.23Å; D41-K47 WeakPolarHBondContact OD1-CE 3.08Å; D41-K47 IonicContact OD1-NZ 3.58Å; D41-K47 PolarHBondContact OD1-NZ 2.83Å; K47-F49 HydrophobicContact CB-CE1 4.41Å; K47-F49 HydrophobicContact CB-CE2 3.9Å; K47-F49 HydrophobicContact CB-CZ 3.77Å; K47-F49 HydrophobicContact CD-CZ 4.16Å; K47-R125 WeakPolarHBondContact O-CD 3.48Å
48G98.8Very high98.1Very high0 Ų032.7 Ų32.70%018%0.182CC..EExtended strand (participates in β ladder)trans-112.6136169.200000110.8V39 L40 A118 D121V39-G48 CarbonylContact C-O 3.59Å; V39-G48 WeakPolarHBondContact CA-O 3.29Å; L40-G48 PolarHBondContact N-O 3.09Å; L40-G48 PolarHBondContact O-N 3.21Å; G48-A118 WeakPolarHBondContact CA-O 3.38Å; G48-D121 WeakPolarHBondContact CA-OD2 3.13Å
49F98.9Very high98.1Very high18 Ų1832.7 Ų32.78%0.07918%0.182CC..EExtended strand (participates in β ladder)trans-119.3135.2-178.1-55.7-83.7000110.8Y37 V38 V39 K47 A118 D121 C413 E414Y37-F49 HydrophobicContact CE2-CB 4.36Å; Y37-F49 AromaticContact CZ-CD1 3.92Å; Y37-F49 WeakPolarHBondContact OH-CD1 3.42Å; V38-F49 WeakPolarHBondContact O-CA 3.44Å; V39-F49 HydrophobicContact CB-CD1 4.38Å; V39-F49 HydrophobicContact CG1-CD1 3.89Å; V39-F49 HydrophobicContact CG1-CE1 3.73Å; V39-F49 HydrophobicContact CG2-CD1 3.9Å; V39-F49 HydrophobicContact CG2-CE1 4.18Å; K47-F49 HydrophobicContact CB-CE1 4.41Å; K47-F49 HydrophobicContact CB-CE2 3.9Å; K47-F49 HydrophobicContact CB-CZ 3.77Å; K47-F49 HydrophobicContact CD-CZ 4.16Å; F49-A118 VanDerWaalsContact C-CA 3.48Å; F49-A118 VanDerWaalsContact O-CA 3.31Å; F49-A118 WeakPolarHBondContact O-CA 3.42Å; F49-D121 WeakPolarHBondContact CD2-OD2 3.37Å; F49-D121 PolarHBondContact N-OD2 3.22Å; F49-D121 WeakPolarHBondContact O-CB 3.28Å; F49-C413 HydrophobicContact CB-CB 3.91Å; F49-C413 WeakPolarHBondContact O-CB 3.39Å; F49-C413 PolarHBondContact O-SG 3.36Å; F49-E414 HydrophobicContact CB-CB 4.24Å; F49-E414 HydrophobicContact CD1-CB 4.42Å; F49-E414 HydrophobicContact CD1-CG 4.2Å; F49-E414 HydrophobicContact CD2-CB 3.72Å; F49-E414 HydrophobicContact CD2-CG 3.9Å; F49-E414 HydrophobicContact CE1-CG 4.06Å; F49-E414 HydrophobicContact CE2-CB 4.09Å; F49-E414 VanDerWaalsContact CE2-CD 3.44Å; F49-E414 HydrophobicContact CE2-CG 3.78Å; F49-E414 HydrophobicContact CG-CB 3.87Å; F49-E414 HydrophobicContact CG-CG 4.09Å; F49-E414 HydrophobicContact CZ-CG 3.83Å; F49-E414 WeakPolarHBondContact CZ-OE1 3.46Å
50G98.9Very high98.1Very high0 Ų036.4 Ų36.40%020%0.199CC..EExtended strand (participates in β ladder)trans-147.5160.7178.500000111.3Y37 V38Y37-G50 WeakPolarHBondContact CD2-O 3.23Å; V38-G50 PolarHBondContact N-O 2.86Å; V38-G50 PolarHBondContact O-N 2.88Å
51L98.9Very high98.1Very high0 Ų040.8 Ų40.80%022%0.221CC..EExtended strand (participates in β ladder)trans-148.6162.717458.585.2000110.2A35 A36 Y37 A114 N117 C327 V356 L361 F392A35-L51 HydrophobicContact CB-CB 4.24Å; A36-L51 WeakPolarHBondContact O-CA 3.42Å; Y37-L51 HydrophobicContact CD2-CB 4.3Å; L51-A114 WeakPolarHBondContact O-CA 3.21Å; L51-N117 PolarHBondContact O-ND2 3.31Å; L51-N117 VanDerWaalsContact O-ND2 3.09Å; L51-C327 PolarHBondContact O-SG 3.15Å; L51-C327 VanDerWaalsContact O-SG 3.37Å; L51-V356 WeakPolarHBondContact CD1-O 3.43Å; L51-L361 HydrophobicContact CD1-CD2 4.48Å; L51-F392 HydrophobicContact CD2-CE1 3.77Å; L51-F392 HydrophobicContact CD2-CZ 3.97Å
52T98.9Very high98.1Very high0 Ų039.5 Ų39.50%021%0.214CC..EExtended strand (participates in β ladder)trans-132148.1158.4-172.90000108.5A35 A36 V62 L110 A114 C327A35-T52 VanDerWaalsContact CA-O 3.3Å; A35-T52 WeakPolarHBondContact CA-O 3.44Å; A36-T52 HydrophobicContact CB-CG2 4.08Å; A36-T52 PolarHBondContact N-O 2.73Å; A36-T52 VanDerWaalsContact N-O 3.07Å; A36-T52 PolarHBondContact O-N 3.44Å; T52-V62 HydrophobicContact CG2-CG1 3.59Å; T52-L110 WeakPolarHBondContact CB-O 3.44Å; T52-L110 HydrophobicContact CG2-CB 3.95Å; T52-L110 WeakPolarHBondContact CG2-O 3.3Å; T52-L110 WeakPolarHBondContact OG1-CD2 3.49Å; T52-A114 HydrophobicContact CG2-CB 3.94Å; T52-C327 PolarHBondContact OG1-O 2.93Å
53F98.7Very high98.2Very high27 Ų2739.6 Ų39.612%0.11822%0.215CC..EExtended strand (participates in β ladder)trans-92.3142.8-171.9168.5-112000112.3Y33 S34 L55 V356 L358Y33-F53 AromaticContact CD1-CE2 3.92Å; Y33-F53 HydrophobicContact CD1-CE2 3.92Å; Y33-F53 AromaticContact CD1-CZ 3.86Å; Y33-F53 HydrophobicContact CD1-CZ 3.86Å; Y33-F53 HydrophobicContact CD2-CE2 4.37Å; Y33-F53 HydrophobicContact CE1-CE2 4.46Å; Y33-F53 HydrophobicContact CE1-CZ 4Å; Y33-F53 AromaticContact CG-CE2 3.86Å; Y33-F53 HydrophobicContact CG-CE2 3.86Å; Y33-F53 HydrophobicContact CG-CZ 4.23Å; S34-F53 WeakPolarHBondContact O-CA 3.48Å; S34-F53 WeakPolarHBondContact O-CD2 3.49Å; F53-L55 HydrophobicContact CE1-CD2 3.78Å; F53-L55 HydrophobicContact CE2-CD2 4.17Å; F53-L55 HydrophobicContact CZ-CD2 3.31Å; F53-L55 HydrophobicContact CZ-CG 4.47Å; F53-V356 HydrophobicContact CD2-CB 4.29Å; F53-L358 HydrophobicContact CB-CD1 4.24Å; F53-L358 HydrophobicContact CB-CD2 3.85Å; F53-L358 HydrophobicContact CB-CG 4.24Å; F53-L358 HydrophobicContact CD1-CD1 3.85Å; F53-L358 HydrophobicContact CE1-CD1 4.42Å; F53-L358 HydrophobicContact CG-CD1 4.08Å; F53-L358 HydrophobicContact CG-CG 4.45Å
54T98.7Very high98.2Very high17 Ų1744.1 Ų44.110%0.10423%0.226CC..EExtended strand (participates in β ladder)trans-145.5178.8169.780.30000110.9S34 T59 V62S34-T54 WeakPolarHBondContact CB-OG1 3.46Å; S34-T54 PolarHBondContact N-O 3.21Å; S34-T54 PolarHBondContact O-N 3Å; T54-T59 PolarHBondContact OG1-OG1 2.92Å; T54-V62 HydrophobicContact CG2-CG2 4.09Å
55L98Very high98.4Very high58 Ų5843.2 Ų43.230%0.30422%0.221SC..  trans-107.629.2-177.4-54177.6000113.5H28 P31 D32 Y33 F53H28-L55 HydrophobicContact CB-CD1 3.85Å; H28-L55 WeakPolarHBondContact CD2-CD1 3.37Å; H28-L55 VanDerWaalsContact CG-CD1 3.5Å; P31-L55 HydrophobicContact CB-CB 4.15Å; P31-L55 HydrophobicContact CB-CD1 4.41Å; P31-L55 HydrophobicContact CB-CD2 3.77Å; P31-L55 HydrophobicContact CB-CG 4.33Å; D32-L55 PolarHBondContact N-O 3.12Å; D32-L55 CarbonylContact O-C 3.54Å; D32-L55 WeakPolarHBondContact O-CA 3.37Å; Y33-L55 HydrophobicContact CD1-CD2 4.03Å; Y33-L55 HydrophobicContact CE1-CD2 4.1Å; F53-L55 HydrophobicContact CE1-CD2 3.78Å; F53-L55 HydrophobicContact CE2-CD2 4.17Å; F53-L55 HydrophobicContact CZ-CD2 3.31Å; F53-L55 HydrophobicContact CZ-CG 4.47Å
56G97.8Very high98.6Very high2 Ų240.4 Ų40.42%0.02119%0.192CC..SBendtrans109.2-96.9174.500000112.5R14 D32 S34 G58 T59R14-G56 PolarHBondContact NH1-O 3.3Å; D32-G56 WeakPolarHBondContact O-CA 3.48Å; D32-G56 PolarHBondContact O-N 3.45Å; S34-G56 VanDerWaalsContact OG-CA 3.23Å; S34-G56 WeakPolarHBondContact OG-CA 3.49Å; S34-G56 PolarHBondContact OG-N 3.22Å; G56-G58 PolarHBondContact O-N 3.34Å; G56-T59 WeakPolarHBondContact O-CB 3.42Å; G56-T59 PolarHBondContact O-N 2.85Å; G56-T59 VanDerWaalsContact O-N 3.11Å; G56-T59 PolarHBondContact O-OG1 3.48Å
57K98.1Very high98.7Very high195 Ų19542.1 Ų42.185%0.84820%0.199SC*.THydrogen-bonded Turntrans-58.1134.4177.7-67.8171.8-174.6160.30110.1
58G98.4Very high98.7Very high20 Ų2040.7 Ų40.721%0.20620%0.204CC..THydrogen-bonded Turntrans95.9-13.1-17500000114G56 E60 I61 V62G56-G58 PolarHBondContact O-N 3.34Å; G58-E60 WeakPolarHBondContact CA-OE2 3.36Å; G58-E60 PolarHBondContact N-OE1 3.25Å; G58-E60 PolarHBondContact N-OE2 3.31Å; G58-E60 PolarHBondContact O-N 3.02Å; G58-I61 WeakPolarHBondContact O-CB 3.48Å; G58-I61 PolarHBondContact O-N 2.83Å; G58-V62 PolarHBondContact O-N 3.25Å
59T98.9Very high98.6Very high0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-54.7-41.3171.1-52.80000110.3D12 S34 A36 T54 G56 I61 V62 V63D12-T59 HydrophobicContact CB-CG2 4.32Å; D12-T59 WeakPolarHBondContact OD1-CB 3.44Å; D12-T59 WeakPolarHBondContact OD1-CG2 3.37Å; S34-T59 WeakPolarHBondContact CB-OG1 3.38Å; A36-T59 HydrophobicContact CB-CG2 4.3Å; T54-T59 PolarHBondContact OG1-OG1 2.92Å; G56-T59 WeakPolarHBondContact O-CB 3.42Å; G56-T59 PolarHBondContact O-N 2.85Å; G56-T59 VanDerWaalsContact O-N 3.11Å; G56-T59 PolarHBondContact O-OG1 3.48Å; T59-I61 PolarHBondContact O-N 3Å; T59-V62 WeakPolarHBondContact O-CB 3.18Å; T59-V62 PolarHBondContact O-N 3.33Å; T59-V62 VanDerWaalsContact O-N 3.08Å; T59-V63 HydrophobicContact CG2-CG2 4.4Å; T59-V63 WeakPolarHBondContact O-CG2 3.44Å; T59-V63 PolarHBondContact O-N 3.27Å
60E98.8Very high98.6Very high83 Ų8340.8 Ų40.839%0.38821%0.207SC..Hα-helixtrans-61.4-30.9179.772.3-71.3168.500112.6D12 R14 G58 R64D12-E60 PolarHBondContact OD2-N 3.1Å; R14-E60 IonicContact CZ-OE2 3.91Å; R14-E60 IonicContact NH1-OE2 2.88Å; R14-E60 IonicContact NH2-OE2 2.84Å; R14-E60 PolarHBondContact NH2-OE2 3.36Å; G58-E60 WeakPolarHBondContact CA-OE2 3.36Å; G58-E60 PolarHBondContact N-OE1 3.25Å; G58-E60 PolarHBondContact N-OE2 3.31Å; G58-E60 PolarHBondContact O-N 3.02Å; E60-R64 WeakPolarHBondContact O-CG 3.23Å; E60-R64 PolarHBondContact O-N 3.39Å; E60-R64 VanDerWaalsContact O-N 3.08Å
61I98.9Very high98.5Very high92 Ų9244.1 Ų44.147%0.47224%0.242SC..Hα-helixtrans-72.6-41.6177.6-51176.3000109.6G58 T59 V63 R64 A65 V107G58-I61 WeakPolarHBondContact O-CB 3.48Å; G58-I61 PolarHBondContact O-N 2.83Å; T59-I61 PolarHBondContact O-N 3Å; I61-V63 VanDerWaalsContact C-N 3.35Å; I61-R64 PolarHBondContact O-N 2.99Å; I61-A65 PolarHBondContact O-N 3.14Å; I61-V107 HydrophobicContact CG2-CG1 3.89Å; I61-V107 HydrophobicContact CG2-CG2 4.18Å
62V98.9Very high98.5Very high3 Ų345.8 Ų45.82%0.01825%0.25CS..Hα-helixtrans-62.7-42.6173.5-178.40000110.7A36 T52 T54 G58 T59 R64 A65 V66 V107 L110 A111A36-V62 HydrophobicContact CB-CB 4.16Å; A36-V62 HydrophobicContact CB-CG1 3.68Å; T52-V62 HydrophobicContact CG2-CG1 3.59Å; T54-V62 HydrophobicContact CG2-CG2 4.09Å; G58-V62 PolarHBondContact O-N 3.25Å; T59-V62 WeakPolarHBondContact O-CB 3.18Å; T59-V62 PolarHBondContact O-N 3.33Å; T59-V62 VanDerWaalsContact O-N 3.08Å; V62-R64 VanDerWaalsContact C-N 3.3Å; V62-R64 PolarHBondContact O-N 3.38Å; V62-A65 WeakPolarHBondContact O-CB 3.36Å; V62-A65 PolarHBondContact O-N 3.12Å; V62-A65 VanDerWaalsContact O-N 3.07Å; V62-V66 WeakPolarHBondContact O-CG2 3.43Å; V62-V66 PolarHBondContact O-N 3.02Å; V62-V107 HydrophobicContact CG2-CG1 4.21Å; V62-L110 HydrophobicContact CG1-CB 4.25Å; V62-L110 HydrophobicContact CG2-CB 4.49Å; V62-L110 HydrophobicContact CG2-CD1 4.29Å; V62-A111 HydrophobicContact CG1-CB 4.34Å
63V98.9Very high98.4Very high13 Ų1345.8 Ų45.88%0.07925%0.25CS..Hα-helixtrans-56.2-43.8174.11700000111.2V10 D12 A36 T59 I61 A65 V66 Q67V10-V63 HydrophobicContact CG1-CG1 3.89Å; V10-V63 HydrophobicContact CG2-CB 4.3Å; V10-V63 HydrophobicContact CG2-CG1 4.12Å; V10-V63 HydrophobicContact CG2-CG2 3.97Å; D12-V63 HydrophobicContact CB-CG2 4.04Å; A36-V63 HydrophobicContact CB-CG2 4.01Å; T59-V63 HydrophobicContact CG2-CG2 4.4Å; T59-V63 WeakPolarHBondContact O-CG2 3.44Å; T59-V63 PolarHBondContact O-N 3.27Å; I61-V63 VanDerWaalsContact C-N 3.35Å; V63-A65 PolarHBondContact O-N 2.94Å; V63-V66 PolarHBondContact O-N 3.34Å; V63-Q67 WeakPolarHBondContact O-CG 3.24Å; V63-Q67 PolarHBondContact O-N 3.27Å
64R98.8Very high98.4Very high170 Ų17047.3 Ų47.364%0.64226%0.262SS*.Hα-helixtrans-63.5-39.5174.7-67.9-50.8-174.2176.30.4112.9E60 I61 V62 Q67 A68E60-R64 WeakPolarHBondContact O-CG 3.23Å; E60-R64 PolarHBondContact O-N 3.39Å; E60-R64 VanDerWaalsContact O-N 3.08Å; I61-R64 PolarHBondContact O-N 2.99Å; V62-R64 VanDerWaalsContact C-N 3.3Å; V62-R64 PolarHBondContact O-N 3.38Å; R64-Q67 WeakPolarHBondContact O-CB 3.24Å; R64-Q67 PolarHBondContact O-N 3.04Å; R64-A68 PolarHBondContact O-N 3.13Å
65A98.8Very high98.4Very high14 Ų1448.3 Ų48.312%0.11628%0.275CS..Hα-helixtrans-65.7-39.2175.900000112.1I61 V62 V63 Q67 A68 L69 V107 I108 A111I61-A65 PolarHBondContact O-N 3.14Å; V62-A65 WeakPolarHBondContact O-CB 3.36Å; V62-A65 PolarHBondContact O-N 3.12Å; V62-A65 VanDerWaalsContact O-N 3.07Å; V63-A65 PolarHBondContact O-N 2.94Å; A65-Q67 VanDerWaalsContact C-N 3.34Å; A65-Q67 PolarHBondContact O-N 3.49Å; A65-A68 WeakPolarHBondContact O-CB 3.43Å; A65-A68 PolarHBondContact O-N 3.38Å; A65-L69 WeakPolarHBondContact O-CG 3.2Å; A65-L69 PolarHBondContact O-N 3.45Å; A65-L69 VanDerWaalsContact O-N 3.1Å; A65-V107 HydrophobicContact CB-CG1 3.73Å; A65-I108 HydrophobicContact CB-CD1 4.26Å; A65-A111 HydrophobicContact CB-CB 3.57Å
66V98.9Very high98.4Very high0 Ų049 Ų490%028%0.276CS..Hα-helixtrans-61.1-43.8172.6171.90000111.1L8 V10 V38 V62 V63 A68 L69 A70 A111 A114 V115L8-V66 HydrophobicContact CD2-CG1 3.61Å; V10-V66 HydrophobicContact CB-CB 4.26Å; V10-V66 HydrophobicContact CB-CG1 3.7Å; V10-V66 HydrophobicContact CG1-CB 4.16Å; V10-V66 HydrophobicContact CG1-CG1 3.83Å; V10-V66 HydrophobicContact CG2-CB 4.03Å; V10-V66 HydrophobicContact CG2-CG1 3.9Å; V10-V66 HydrophobicContact CG2-CG2 4.3Å; V38-V66 HydrophobicContact CG2-CG1 3.77Å; V38-V66 HydrophobicContact CG2-CG2 4.2Å; V62-V66 WeakPolarHBondContact O-CG2 3.43Å; V62-V66 PolarHBondContact O-N 3.02Å; V63-V66 PolarHBondContact O-N 3.34Å; V66-A68 VanDerWaalsContact C-N 3.28Å; V66-A68 PolarHBondContact O-N 3.39Å; V66-L69 PolarHBondContact O-N 3.44Å; V66-L69 VanDerWaalsContact O-N 3.12Å; V66-A70 PolarHBondContact O-N 3.14Å; V66-A70 VanDerWaalsContact O-N 3.15Å; V66-A111 HydrophobicContact CB-CB 4.4Å; V66-A111 HydrophobicContact CG2-CB 3.56Å; V66-A114 HydrophobicContact CG2-CB 4.44Å; V66-V115 HydrophobicContact CG1-CG2 3.98Å
67Q98.8Very high98.4Very high84 Ų8449.3 Ų49.339%0.39328%0.278SS..Hα-helixtrans-59.8-38.3175.9-71170.1-4.500112V10 V63 R64 A65 L69 A70V10-Q67 HydrophobicContact CG1-CG 3.66Å; V63-Q67 WeakPolarHBondContact O-CG 3.24Å; V63-Q67 PolarHBondContact O-N 3.27Å; R64-Q67 WeakPolarHBondContact O-CB 3.24Å; R64-Q67 PolarHBondContact O-N 3.04Å; A65-Q67 VanDerWaalsContact C-N 3.34Å; A65-Q67 PolarHBondContact O-N 3.49Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; Q67-L69 PolarHBondContact O-N 3.35Å; Q67-A70 VanDerWaalsContact O-CB 3.3Å; Q67-A70 WeakPolarHBondContact O-CB 3.46Å; Q67-A70 PolarHBondContact O-N 3.46Å
68A98.4Very high98.4Very high59 Ų5940.1 Ų40.149%0.48824%0.238SC..Hα-helixtrans-65.2-35.6175.700000112.6R64 A65 V66 A70 M98R64-A68 PolarHBondContact O-N 3.13Å; A65-A68 WeakPolarHBondContact O-CB 3.43Å; A65-A68 PolarHBondContact O-N 3.38Å; V66-A68 VanDerWaalsContact C-N 3.28Å; V66-A68 PolarHBondContact O-N 3.39Å; A68-A70 VanDerWaalsContact C-N 3.31Å; A68-A70 PolarHBondContact O-N 3.2Å; A68-M98 HydrophobicContact CB-SD 4.05Å
69L98.4Very high98.3Very high0 Ų044.5 Ų44.50%025%0.253CS..Hα-helixtrans-73.3-19.4176.3-66.4174.8000113.3A65 V66 Q67 G71 L72 L92 M98 I108 A111 V115A65-L69 WeakPolarHBondContact O-CG 3.2Å; A65-L69 PolarHBondContact O-N 3.45Å; A65-L69 VanDerWaalsContact O-N 3.1Å; V66-L69 PolarHBondContact O-N 3.44Å; V66-L69 VanDerWaalsContact O-N 3.12Å; Q67-L69 VanDerWaalsContact C-N 3.33Å; Q67-L69 PolarHBondContact O-N 3.35Å; L69-G71 VanDerWaalsContact C-N 3.26Å; L69-G71 PolarHBondContact O-N 2.62Å; L69-G71 VanDerWaalsContact O-N 3.17Å; L69-L72 HydrophobicContact CD2-CD1 4.38Å; L69-L72 WeakPolarHBondContact O-CB 3.36Å; L69-L72 PolarHBondContact O-N 3.11Å; L69-L92 HydrophobicContact CD2-CD2 4.34Å; L69-M98 HydrophobicContact CD2-CE 3.82Å; L69-M98 HydrophobicContact CD2-SD 3.99Å; L69-I108 HydrophobicContact CD1-CD1 4.44Å; L69-I108 HydrophobicContact CD2-CD1 4.2Å; L69-I108 HydrophobicContact CG-CD1 4.29Å; L69-A111 HydrophobicContact CD1-CB 3.96Å; L69-V115 HydrophobicContact CD1-CG2 4.42Å
70A98.1Very high98.2Very high19 Ų1949.6 Ų49.616%0.15728%0.28CS..G310 helixtrans-56.6-37.2-173.400000113.5L8 V66 Q67 A68 L72 V73 V74L8-A70 HydrophobicContact CB-CB 4.29Å; L8-A70 HydrophobicContact CD1-CB 4.32Å; L8-A70 HydrophobicContact CD2-CB 4.39Å; V66-A70 PolarHBondContact O-N 3.14Å; V66-A70 VanDerWaalsContact O-N 3.15Å; Q67-A70 VanDerWaalsContact O-CB 3.3Å; Q67-A70 WeakPolarHBondContact O-CB 3.46Å; Q67-A70 PolarHBondContact O-N 3.46Å; A68-A70 VanDerWaalsContact C-N 3.31Å; A68-A70 PolarHBondContact O-N 3.2Å; A70-L72 PolarHBondContact O-N 3.24Å; A70-V73 PolarHBondContact O-N 3.43Å; A70-V74 WeakPolarHBondContact O-CG2 3.25Å; A70-V74 PolarHBondContact O-N 3.33Å
71G97Very high98.2Very high70 Ų7045.7 Ų45.772%0.72226%0.262SS*.G310 helixtrans-64-20.3177.400000114.3L69L69-G71 VanDerWaalsContact C-N 3.26Å; L69-G71 PolarHBondContact O-N 2.62Å; L69-G71 VanDerWaalsContact O-N 3.17Å
72L98.1Very high98Very high35 Ų3541.8 Ų41.818%0.18324%0.242CC..G310 helixtrans-88.1-9.9175.1-58-176.5000113L69 A70 K76 L91 L92 D95 M98L69-L72 HydrophobicContact CD2-CD1 4.38Å; L69-L72 WeakPolarHBondContact O-CB 3.36Å; L69-L72 PolarHBondContact O-N 3.11Å; A70-L72 PolarHBondContact O-N 3.24Å; L72-K76 WeakPolarHBondContact O-CD 3.47Å; L72-K76 WeakPolarHBondContact O-CE 3.27Å; L72-L91 HydrophobicContact CB-CD2 4.3Å; L72-L91 HydrophobicContact CB-CG 4.37Å; L72-L91 HydrophobicContact CD1-CG 4.36Å; L72-L91 HydrophobicContact CD2-CD1 4.25Å; L72-L92 HydrophobicContact CB-CD2 3.85Å; L72-L92 HydrophobicContact CD1-CD2 4.12Å; L72-D95 HydrophobicContact CD1-CB 4.23Å; L72-M98 HydrophobicContact CD1-CE 3.37Å; L72-M98 HydrophobicContact CG-CE 4.1Å
73V98.3Very high97.9Very high0 Ų045.4 Ų45.40%027%0.268CS..THydrogen-bonded Turntrans-114-48.4-172.3-175.50000111.6I5 L8 L40 A70 G75 K76 F88 L92 V115I5-V73 HydrophobicContact CD1-CG1 3.72Å; I5-V73 HydrophobicContact CG2-CG1 4.38Å; L8-V73 HydrophobicContact CD1-CB 4.3Å; L8-V73 HydrophobicContact CD1-CG1 4.38Å; L8-V73 HydrophobicContact CD1-CG2 4.45Å; L40-V73 HydrophobicContact CD2-CG1 4.17Å; A70-V73 PolarHBondContact O-N 3.43Å; V73-G75 PolarHBondContact O-N 2.68Å; V73-K76 WeakPolarHBondContact O-CB 3.4Å; V73-K76 PolarHBondContact O-N 2.71Å; V73-F88 HydrophobicContact CG1-CZ 4.35Å; V73-F88 HydrophobicContact CG2-CZ 4.09Å; V73-L92 HydrophobicContact CG2-CD2 4.01Å; V73-V115 HydrophobicContact CG2-CG1 3.71Å
74V98.6Very high97.8Very high59 Ų5948.3 Ų48.336%0.35828%0.283SS..THydrogen-bonded Turntrans-62.5133.9-177.5177.10000110.1T6 L8 A70T6-V74 WeakPolarHBondContact O-CG1 3.35Å; L8-V74 HydrophobicContact CB-CG2 4.02Å; A70-V74 WeakPolarHBondContact O-CG2 3.25Å; A70-V74 PolarHBondContact O-N 3.33Å
75G98Very high97.8Very high38 Ų3840.2 Ų40.239%0.39225%0.252SS..THydrogen-bonded Turntrans92-8.7-177.800000114.7K4 I5 V73K4-G75 WeakPolarHBondContact CE-O 3.39Å; I5-G75 PolarHBondContact O-N 3.07Å; V73-G75 PolarHBondContact O-N 2.68Å
76K98.1Very high97.8Very high74 Ų7441.6 Ų41.632%0.32226%0.255SS..  trans-81146.9170.9-66-179.2-178.2-69.60110.9I5 L72 V73 I81 F88I5-K76 PolarHBondContact N-O 3.11Å; L72-K76 WeakPolarHBondContact O-CD 3.47Å; L72-K76 WeakPolarHBondContact O-CE 3.27Å; V73-K76 WeakPolarHBondContact O-CB 3.4Å; V73-K76 PolarHBondContact O-N 2.71Å; K76-I81 HydrophobicContact CB-CD1 3.99Å; K76-I81 HydrophobicContact CB-CG1 4.15Å; K76-I81 HydrophobicContact CD-CG1 4.32Å; K76-F88 HydrophobicContact CD-CD2 3.84Å; K76-F88 HydrophobicContact CD-CE2 3.58Å
77S98Very high97.8Very high7 Ų745.2 Ų45.25%0.04927%0.274CS..BIsolated β-bridgetrans-85.9148.2169.181.60000110.5L2 Q79 D80 I81L2-S77 WeakPolarHBondContact O-CB 3.43Å; S77-Q79 PolarHBondContact O-N 3.18Å; S77-D80 WeakPolarHBondContact CB-OD2 3.45Å; S77-D80 PolarHBondContact O-N 3.07Å; S77-D80 WeakPolarHBondContact OG-CB 3.48Å; S77-D80 PolarHBondContact OG-N 3.45Å; S77-D80 VanDerWaalsContact OG-N 3.11Å; S77-D80 PolarHBondContact OG-OD2 2.68Å; S77-I81 WeakPolarHBondContact O-CG1 3.19Å; S77-I81 PolarHBondContact O-N 2.78Å
78L97.6Very high97.8Very high2 Ų241.7 Ų41.71%0.0126%0.257CS..Hα-helixtrans-58.2-39.2175.5-175.362.1000111.1Q3 D80 I81 V82 V119 L122 W123 L126Q3-L78 HydrophobicContact CB-CB 3.89Å; Q3-L78 PolarHBondContact O-N 3.42Å; Q3-L78 VanDerWaalsContact O-N 3.07Å; L78-D80 PolarHBondContact O-N 3.4Å; L78-I81 WeakPolarHBondContact O-CB 3.34Å; L78-I81 PolarHBondContact O-N 2.98Å; L78-I81 VanDerWaalsContact O-N 3.14Å; L78-V82 HydrophobicContact CD1-CG1 3.84Å; L78-V82 HydrophobicContact CG-CG1 4.12Å; L78-V82 WeakPolarHBondContact O-CG2 3.3Å; L78-V82 PolarHBondContact O-N 2.92Å; L78-V119 HydrophobicContact CD1-CG1 4.03Å; L78-L122 HydrophobicContact CD1-CD2 4.12Å; L78-L122 HydrophobicContact CD1-CG 4.32Å; L78-L122 HydrophobicContact CD2-CD2 4.22Å; L78-L122 HydrophobicContact CD2-CG 3.83Å; L78-W123 HydrophobicContact CD1-CB 4.36Å; L78-W123 HydrophobicContact CD2-CB 4.3Å; L78-L126 HydrophobicContact CD2-CB 4.29Å; L78-L126 HydrophobicContact CD2-CD2 3.71Å
79Q96.4Very high97.8Very high113 Ų11339 Ų3953%0.52823%0.234SC..Hα-helixtrans-60.9-41.9178.8-173.360.336.800112.5S77 I81 S83S77-Q79 PolarHBondContact O-N 3.18Å; Q79-I81 VanDerWaalsContact C-N 3.28Å; Q79-I81 PolarHBondContact O-N 3.33Å; Q79-S83 VanDerWaalsContact O-CB 3.23Å; Q79-S83 WeakPolarHBondContact O-CB 3.33Å; Q79-S83 PolarHBondContact O-N 2.75Å; Q79-S83 PolarHBondContact O-OG 2.81Å
80D96.7Very high97.8Very high106 Ų10643.4 Ų43.457%0.56725%0.251SS*.Hα-helixtrans-64.8-35.8176.8-61.7-36.5000111.3S77 L78 S83S77-D80 WeakPolarHBondContact CB-OD2 3.45Å; S77-D80 PolarHBondContact O-N 3.07Å; S77-D80 WeakPolarHBondContact OG-CB 3.48Å; S77-D80 PolarHBondContact OG-N 3.45Å; S77-D80 VanDerWaalsContact OG-N 3.11Å; S77-D80 PolarHBondContact OG-OD2 2.68Å; L78-D80 PolarHBondContact O-N 3.4Å; D80-S83 PolarHBondContact O-OG 3.17Å
81I98.1Very high97.8Very high2 Ų245.2 Ų45.21%0.0126%0.258CS..Hα-helixtrans-69-56.6177.5-65.4167.1000110.3I5 K76 S77 L78 Q79 S83 N84 F85 F88 V119I5-I81 HydrophobicContact CD1-CD1 3.82Å; K76-I81 HydrophobicContact CB-CD1 3.99Å; K76-I81 HydrophobicContact CB-CG1 4.15Å; K76-I81 HydrophobicContact CD-CG1 4.32Å; S77-I81 WeakPolarHBondContact O-CG1 3.19Å; S77-I81 PolarHBondContact O-N 2.78Å; L78-I81 WeakPolarHBondContact O-CB 3.34Å; L78-I81 PolarHBondContact O-N 2.98Å; L78-I81 VanDerWaalsContact O-N 3.14Å; Q79-I81 VanDerWaalsContact C-N 3.28Å; Q79-I81 PolarHBondContact O-N 3.33Å; I81-S83 VanDerWaalsContact C-N 3.3Å; I81-S83 PolarHBondContact O-N 2.79Å; I81-N84 CarbonylContact O-C 3.53Å; I81-N84 PolarHBondContact O-N 2.89Å; I81-N84 VanDerWaalsContact O-N 3.13Å; I81-F85 HydrophobicContact CG2-CD1 3.91Å; I81-F85 HydrophobicContact CG2-CE1 3.95Å; I81-F85 HydrophobicContact CG2-CG 4.42Å; I81-F85 HydrophobicContact CG2-CZ 4.47Å; I81-F85 WeakPolarHBondContact O-CA 3.41Å; I81-F85 PolarHBondContact O-N 3Å; I81-F88 HydrophobicContact CB-CD1 4.44Å; I81-F88 HydrophobicContact CB-CG 4.36Å; I81-F88 HydrophobicContact CD1-CD2 4.47Å; I81-F88 HydrophobicContact CD1-CE1 4.23Å; I81-F88 HydrophobicContact CD1-CE2 4.11Å; I81-F88 HydrophobicContact CD1-CZ 3.96Å; I81-F88 HydrophobicContact CG1-CD1 4.33Å; I81-F88 HydrophobicContact CG1-CD2 3.98Å; I81-F88 HydrophobicContact CG1-CE1 4.43Å; I81-F88 HydrophobicContact CG1-CE2 4.12Å; I81-F88 HydrophobicContact CG1-CG 4.07Å; I81-F88 HydrophobicContact CG1-CZ 4.32Å; I81-F88 HydrophobicContact CG2-CB 4.02Å; I81-F88 HydrophobicContact CG2-CD1 3.37Å; I81-F88 HydrophobicContact CG2-CD2 4.42Å; I81-F88 HydrophobicContact CG2-CE1 3.86Å; I81-F88 HydrophobicContact CG2-CG 3.67Å; I81-V119 HydrophobicContact CG2-CG1 3.84Å
82V95.8Very high97.9Very high10 Ų1042 Ų426%0.06122%0.224CC..Hα-helixtrans-72.5-23.6-170.9-56.60000113.1L78 N84 W123L78-V82 HydrophobicContact CD1-CG1 3.84Å; L78-V82 HydrophobicContact CG-CG1 4.12Å; L78-V82 WeakPolarHBondContact O-CG2 3.3Å; L78-V82 PolarHBondContact O-N 2.92Å; V82-N84 VanDerWaalsContact C-N 3.3Å; V82-W123 HydrophobicContact CB-CD2 4.12Å; V82-W123 HydrophobicContact CB-CE3 4.18Å; V82-W123 HydrophobicContact CB-CH2 4.24Å; V82-W123 HydrophobicContact CB-CZ2 4.21Å; V82-W123 HydrophobicContact CB-CZ3 4.22Å; V82-W123 HydrophobicContact CG1-CB 4.31Å; V82-W123 HydrophobicContact CG1-CD2 3.55Å; V82-W123 HydrophobicContact CG1-CE3 3.63Å; V82-W123 HydrophobicContact CG1-CG 3.86Å; V82-W123 HydrophobicContact CG1-CZ3 4.15Å
83S96.4Very high97.9Very high78 Ų7840.7 Ų40.755%0.54522%0.217SC..Hα-helixtrans-74.5-19.1173.260.60000113.6Q79 D80 I81Q79-S83 VanDerWaalsContact O-CB 3.23Å; Q79-S83 WeakPolarHBondContact O-CB 3.33Å; Q79-S83 PolarHBondContact O-N 2.75Å; Q79-S83 PolarHBondContact O-OG 2.81Å; D80-S83 PolarHBondContact O-OG 3.17Å; I81-S83 VanDerWaalsContact C-N 3.3Å; I81-S83 PolarHBondContact O-N 2.79Å
84N96.4Very high97.9Very high74 Ų7442.1 Ų42.140%0.39623%0.228SC..THydrogen-bonded Turntrans-142.251.8176.6-165.68.1000111.8I81 V82 R86 D87 F88I81-N84 CarbonylContact O-C 3.53Å; I81-N84 PolarHBondContact O-N 2.89Å; I81-N84 VanDerWaalsContact O-N 3.13Å; V82-N84 VanDerWaalsContact C-N 3.3Å; N84-R86 VanDerWaalsContact C-N 3.29Å; N84-R86 PolarHBondContact O-N 2.66Å; N84-D87 WeakPolarHBondContact ND2-CB 3.28Å; N84-D87 PolarHBondContact ND2-OD2 2.88Å; N84-D87 PolarHBondContact O-N 2.86Å; N84-D87 VanDerWaalsContact O-N 3.07Å; N84-D87 PolarHBondContact OD1-OD2 3.21Å; N84-F88 PolarHBondContact O-N 3.31Å; N84-F88 VanDerWaalsContact O-N 3.14Å
85F98.6Very high97.9Very high0 Ų041.2 Ų41.20%022%0.221CC..Hα-helixtrans-66.7-32-166.9-152-13.7000112.1I81 D87 F88 Y89 L116 V119 W120 W123 C146I81-F85 HydrophobicContact CG2-CD1 3.91Å; I81-F85 HydrophobicContact CG2-CE1 3.95Å; I81-F85 HydrophobicContact CG2-CG 4.42Å; I81-F85 HydrophobicContact CG2-CZ 4.47Å; I81-F85 WeakPolarHBondContact O-CA 3.41Å; I81-F85 PolarHBondContact O-N 3Å; F85-D87 VanDerWaalsContact C-N 3.34Å; F85-D87 PolarHBondContact O-N 3.24Å; F85-F88 HydrophobicContact CD1-CB 4.39Å; F85-F88 HydrophobicContact CD1-CD1 4.05Å; F85-F88 AromaticContact CE1-CD1 3.89Å; F85-F88 HydrophobicContact CE1-CD1 3.89Å; F85-F88 PolarHBondContact O-N 2.92Å; F85-Y89 WeakPolarHBondContact O-CB 3.43Å; F85-Y89 PolarHBondContact O-N 3.12Å; F85-L116 HydrophobicContact CE1-CD2 3.71Å; F85-L116 HydrophobicContact CZ-CD2 4.4Å; F85-V119 HydrophobicContact CE1-CG1 4.14Å; F85-V119 HydrophobicContact CE2-CG1 4.41Å; F85-V119 HydrophobicContact CZ-CB 4.38Å; F85-V119 HydrophobicContact CZ-CG1 3.67Å; F85-W120 HydrophobicContact CD2-CH2 4.33Å; F85-W120 AromaticContact CD2-CZ2 3.83Å; F85-W120 HydrophobicContact CD2-CZ2 3.83Å; F85-W120 AromaticContact CE2-CD2 3.8Å; F85-W120 HydrophobicContact CE2-CD2 3.8Å; F85-W120 AromaticContact CE2-CE2 3.24Å; F85-W120 HydrophobicContact CE2-CE3 4.35Å; F85-W120 HydrophobicContact CE2-CG 4.35Å; F85-W120 HydrophobicContact CE2-CH2 4.05Å; F85-W120 AromaticContact CE2-CZ2 3.4Å; F85-W120 HydrophobicContact CE2-CZ2 3.4Å; F85-W120 HydrophobicContact CE2-CZ3 4.47Å; F85-W120 AromaticContact CE2-NE1 3.41Å; F85-W120 AromaticContact CZ-CD1 3.76Å; F85-W120 HydrophobicContact CZ-CD2 4.2Å; F85-W120 AromaticContact CZ-CE2 3.64Å; F85-W120 HydrophobicContact CZ-CG 4.29Å; F85-W120 HydrophobicContact CZ-CZ2 4.17Å; F85-W120 AromaticContact CZ-NE1 3.26Å; F85-W120 VanDerWaalsContact CZ-NE1 3.26Å; F85-W123 HydrophobicContact CD2-CE3 4.4Å; F85-W123 HydrophobicContact CD2-CZ3 4.03Å; F85-W123 HydrophobicContact CE2-CE3 4.09Å; F85-W123 HydrophobicContact CE2-CZ3 4.12Å; F85-C146 HydrophobicContact CB-CB 4.35Å; F85-C146 HydrophobicContact CD2-CB 4.38Å
86R98.7Very high97.8Very high44 Ų4442.7 Ų42.717%0.16624%0.236CC..Hα-helixtrans-55.9-45.8171.2179.7-175.6-58178.3-4.3112.5N84 Y89 R90 V144 S145 I147 D148 E158N84-R86 VanDerWaalsContact C-N 3.29Å; N84-R86 PolarHBondContact O-N 2.66Å; R86-Y89 WeakPolarHBondContact O-CB 3.43Å; R86-Y89 PolarHBondContact O-N 2.54Å; R86-R90 VanDerWaalsContact O-CG 3.28Å; R86-R90 WeakPolarHBondContact O-CG 3.47Å; R86-R90 PolarHBondContact O-N 2.8Å; R86-V144 PolarHBondContact NH2-O 3.15Å; R86-S145 VanDerWaalsContact CB-O 3.29Å; R86-S145 WeakPolarHBondContact CB-O 3.5Å; R86-S145 PolarHBondContact N-O 3.18Å; R86-I147 PolarHBondContact NE-O 2.76Å; R86-I147 PolarHBondContact NH2-O 3.25Å; R86-D148 HydrophobicContact CG-CB 4.22Å; R86-E158 IonicContact CZ-OE1 2.66Å; R86-E158 IonicContact CZ-OE2 3.85Å; R86-E158 VanDerWaalsContact NH1-CD 3.3Å; R86-E158 IonicContact NH1-OE1 3.88Å; R86-E158 PolarHBondContact NH1-OE1 2.91Å; R86-E158 IonicContact NH1-OE2 3.96Å; R86-E158 PolarHBondContact NH1-OE2 3.13Å; R86-E158 IonicContact NH2-OE1 2.64Å; R86-E158 PolarHBondContact NH2-OE1 3.33Å; R86-E158 IonicContact NH2-OE2 3.25Å; R86-E158 PolarHBondContact NH2-OE2 3.33Å
87D98.5Very high97.8Very high76 Ų7647.1 Ų47.141%0.40626%0.258SS..Hα-helixtrans-72.9-32.8180-74.5-14.5000111.8N84 F85 R90 L91N84-D87 WeakPolarHBondContact ND2-CB 3.28Å; N84-D87 PolarHBondContact ND2-OD2 2.88Å; N84-D87 PolarHBondContact O-N 2.86Å; N84-D87 VanDerWaalsContact O-N 3.07Å; N84-D87 PolarHBondContact OD1-OD2 3.21Å; F85-D87 VanDerWaalsContact C-N 3.34Å; F85-D87 PolarHBondContact O-N 3.24Å; D87-R90 PolarHBondContact O-N 2.96Å; D87-R90 IonicContact OD1-NH1 2.73Å; D87-L91 WeakPolarHBondContact O-CB 3.41Å; D87-L91 PolarHBondContact O-N 3.05Å
88F98.8Very high97.8Very high10 Ų1048.2 Ų48.24%0.04426%0.263CS..Hα-helixtrans-65.7-39.3171.1-177.2-108.3000112.3V73 K76 I81 N84 F85 L91 L92 L116 V119V73-F88 HydrophobicContact CG1-CZ 4.35Å; V73-F88 HydrophobicContact CG2-CZ 4.09Å; K76-F88 HydrophobicContact CD-CD2 3.84Å; K76-F88 HydrophobicContact CD-CE2 3.58Å; I81-F88 HydrophobicContact CB-CD1 4.44Å; I81-F88 HydrophobicContact CB-CG 4.36Å; I81-F88 HydrophobicContact CD1-CD2 4.47Å; I81-F88 HydrophobicContact CD1-CE1 4.23Å; I81-F88 HydrophobicContact CD1-CE2 4.11Å; I81-F88 HydrophobicContact CD1-CZ 3.96Å; I81-F88 HydrophobicContact CG1-CD1 4.33Å; I81-F88 HydrophobicContact CG1-CD2 3.98Å; I81-F88 HydrophobicContact CG1-CE1 4.43Å; I81-F88 HydrophobicContact CG1-CE2 4.12Å; I81-F88 HydrophobicContact CG1-CG 4.07Å; I81-F88 HydrophobicContact CG1-CZ 4.32Å; I81-F88 HydrophobicContact CG2-CB 4.02Å; I81-F88 HydrophobicContact CG2-CD1 3.37Å; I81-F88 HydrophobicContact CG2-CD2 4.42Å; I81-F88 HydrophobicContact CG2-CE1 3.86Å; I81-F88 HydrophobicContact CG2-CG 3.67Å; N84-F88 PolarHBondContact O-N 3.31Å; N84-F88 VanDerWaalsContact O-N 3.14Å; F85-F88 HydrophobicContact CD1-CB 4.39Å; F85-F88 HydrophobicContact CD1-CD1 4.05Å; F85-F88 AromaticContact CE1-CD1 3.89Å; F85-F88 HydrophobicContact CE1-CD1 3.89Å; F85-F88 PolarHBondContact O-N 2.92Å; F88-L91 HydrophobicContact CD2-CD2 4.14Å; F88-L91 HydrophobicContact CE2-CD2 4.39Å; F88-L91 WeakPolarHBondContact O-CB 3.09Å; F88-L91 PolarHBondContact O-N 3.48Å; F88-L92 HydrophobicContact CD1-CD1 4.47Å; F88-L92 HydrophobicContact CE1-CD1 3.82Å; F88-L92 HydrophobicContact CZ-CD1 3.9Å; F88-L92 HydrophobicContact CZ-CG 4.33Å; F88-L92 PolarHBondContact O-N 2.87Å; F88-L116 HydrophobicContact CD1-CD2 4.02Å; F88-L116 HydrophobicContact CE1-CD2 3.87Å; F88-V119 HydrophobicContact CE1-CG2 4.11Å
89Y98.9Very high97.8Very high1 Ų152 Ų520%0.00428%0.277CS..Hα-helixtrans-58.1-49.7171.1-179.7-86.7000110.5F85 R86 L91 L92 T93 E104 L116 D148 R307 G330 N333 E334F85-Y89 WeakPolarHBondContact O-CB 3.43Å; F85-Y89 PolarHBondContact O-N 3.12Å; R86-Y89 WeakPolarHBondContact O-CB 3.43Å; R86-Y89 PolarHBondContact O-N 2.54Å; Y89-L91 VanDerWaalsContact C-N 3.29Å; Y89-L91 PolarHBondContact O-N 2.98Å; Y89-L92 PolarHBondContact O-N 3.12Å; Y89-L92 VanDerWaalsContact O-N 3.1Å; Y89-T93 HydrophobicContact CD1-CG2 4.05Å; Y89-T93 HydrophobicContact CD2-CG2 4.46Å; Y89-T93 HydrophobicContact CE1-CG2 3.59Å; Y89-T93 WeakPolarHBondContact CE1-OG1 3.23Å; Y89-T93 HydrophobicContact CE2-CG2 4.06Å; Y89-T93 HydrophobicContact CG-CG2 4.46Å; Y89-T93 PolarHBondContact O-N 3.38Å; Y89-T93 PolarHBondContact O-OG1 3.09Å; Y89-E104 PolarHBondContact OH-OE1 3.27Å; Y89-L116 HydrophobicContact CD2-CD1 3.59Å; Y89-L116 HydrophobicContact CE2-CD1 3.89Å; Y89-D148 HydrophobicContact CD1-CB 3.72Å; Y89-D148 HydrophobicContact CE1-CB 4.01Å; Y89-R307 PolarHBondContact OH-NH1 3.37Å; Y89-R307 VanDerWaalsContact OH-NH1 3.16Å; Y89-G330 WeakPolarHBondContact CE2-O 3.29Å; Y89-N333 HydrophobicContact CD2-CB 3.63Å; Y89-N333 HydrophobicContact CE2-CB 3.95Å; Y89-N333 HydrophobicContact CG-CB 4.44Å; Y89-E334 HydrophobicContact CE2-CB 4.33Å; Y89-E334 PolarHBondContact OH-OE2 3.1Å
90R98.7Very high97.9Very high94 Ų9456.9 Ų56.936%0.35529%0.29SS..Hα-helixtrans-63.2-33.6178.6-69.2170.588.9179.510112.9R86 D87 L92 S94 D148R86-R90 VanDerWaalsContact O-CG 3.28Å; R86-R90 WeakPolarHBondContact O-CG 3.47Å; R86-R90 PolarHBondContact O-N 2.8Å; D87-R90 PolarHBondContact O-N 2.96Å; D87-R90 IonicContact OD1-NH1 2.73Å; R90-L92 VanDerWaalsContact C-N 3.3Å; R90-L92 PolarHBondContact O-N 2.95Å; R90-S94 CarbonylContact O-C 3.54Å; R90-S94 VanDerWaalsContact O-CA 3.28Å; R90-S94 WeakPolarHBondContact O-CA 3.46Å; R90-S94 WeakPolarHBondContact O-CB 3.29Å; R90-S94 PolarHBondContact O-N 3.25Å; R90-D148 HydrophobicContact CG-CB 4.28Å; R90-D148 VanDerWaalsContact CG-OD2 3.3Å; R90-D148 WeakPolarHBondContact CG-OD2 3.13Å
91L98.4Very high97.9Very high56 Ų5658.1 Ų58.129%0.29330%0.296SS..Hα-helixtrans-59-43.8173.6176.866.2000110.9L72 D87 F88 Y89 D95L72-L91 HydrophobicContact CB-CD2 4.3Å; L72-L91 HydrophobicContact CB-CG 4.37Å; L72-L91 HydrophobicContact CD1-CG 4.36Å; L72-L91 HydrophobicContact CD2-CD1 4.25Å; D87-L91 WeakPolarHBondContact O-CB 3.41Å; D87-L91 PolarHBondContact O-N 3.05Å; F88-L91 HydrophobicContact CD2-CD2 4.14Å; F88-L91 HydrophobicContact CE2-CD2 4.39Å; F88-L91 WeakPolarHBondContact O-CB 3.09Å; F88-L91 PolarHBondContact O-N 3.48Å; Y89-L91 VanDerWaalsContact C-N 3.29Å; Y89-L91 PolarHBondContact O-N 2.98Å; L91-D95 PolarHBondContact O-N 3.48Å
92L98.5Very high97.9Very high3 Ų358.9 Ų58.92%0.01630%0.304CS..Hα-helixtrans-77.6-40.5-179.5-60.8-177.8000112.7L69 L72 V73 F88 Y89 R90 T112 V115 L116L69-L92 HydrophobicContact CD2-CD2 4.34Å; L72-L92 HydrophobicContact CB-CD2 3.85Å; L72-L92 HydrophobicContact CD1-CD2 4.12Å; V73-L92 HydrophobicContact CG2-CD2 4.01Å; F88-L92 HydrophobicContact CD1-CD1 4.47Å; F88-L92 HydrophobicContact CE1-CD1 3.82Å; F88-L92 HydrophobicContact CZ-CD1 3.9Å; F88-L92 HydrophobicContact CZ-CG 4.33Å; F88-L92 PolarHBondContact O-N 2.87Å; Y89-L92 PolarHBondContact O-N 3.12Å; Y89-L92 VanDerWaalsContact O-N 3.1Å; R90-L92 VanDerWaalsContact C-N 3.3Å; R90-L92 PolarHBondContact O-N 2.95Å; L92-T112 HydrophobicContact CB-CG2 3.89Å; L92-T112 HydrophobicContact CD1-CG2 4.35Å; L92-V115 HydrophobicContact CD1-CG1 4.03Å; L92-L116 HydrophobicContact CD1-CD2 3.88Å; L92-L116 HydrophobicContact CD1-CG 3.96Å
93T98.6Very high98Very high7 Ų760.9 Ų60.94%0.04332%0.318CS..Hα-helixtrans-88.7-16-17458.50000114.4Y89 E104 T112Y89-T93 HydrophobicContact CD1-CG2 4.05Å; Y89-T93 HydrophobicContact CD2-CG2 4.46Å; Y89-T93 HydrophobicContact CE1-CG2 3.59Å; Y89-T93 WeakPolarHBondContact CE1-OG1 3.23Å; Y89-T93 HydrophobicContact CE2-CG2 4.06Å; Y89-T93 HydrophobicContact CG-CG2 4.46Å; Y89-T93 PolarHBondContact O-N 3.38Å; Y89-T93 PolarHBondContact O-OG1 3.09Å; T93-E104 HydrophobicContact CG2-CG 4.19Å; T93-T112 HydrophobicContact CG2-CG2 3.85Å
94S98.1Very high98.1Very high31 Ų3157.7 Ų57.722%0.21729%0.294CS..SBendtrans-132.420.5-172.9-158.20000113.4R90 G96 R150R90-S94 CarbonylContact O-C 3.54Å; R90-S94 VanDerWaalsContact O-CA 3.28Å; R90-S94 WeakPolarHBondContact O-CA 3.46Å; R90-S94 WeakPolarHBondContact O-CB 3.29Å; R90-S94 PolarHBondContact O-N 3.25Å; S94-G96 PolarHBondContact O-N 3.42Å; S94-R150 PolarHBondContact OG-NH1 3.19Å; S94-R150 PolarHBondContact OG-NH2 2.84Å
95D97.9Very high98.2Very high40 Ų4058 Ų5821%0.21429%0.292CS..  trans-46.6136.8166.1174.4-90.6000110.2L72 L91 Q97 M98 R99L72-D95 HydrophobicContact CD1-CB 4.23Å; L91-D95 PolarHBondContact O-N 3.48Å; D95-Q97 PolarHBondContact O-N 2.73Å; D95-Q97 PolarHBondContact OD1-N 3.16Å; D95-M98 HydrophobicContact CB-CB 4.18Å; D95-M98 HydrophobicContact CB-CE 3.88Å; D95-M98 PolarHBondContact OD1-N 2.97Å; D95-R99 WeakPolarHBondContact O-CB 3.23Å; D95-R99 WeakPolarHBondContact O-CD 3.32Å; D95-R99 WeakPolarHBondContact O-CG 3.41Å; D95-R99 PolarHBondContact O-N 3.38Å
96G96.4Very high98.2Very high69 Ų6959.7 Ų59.771%0.71131%0.31SS*.THydrogen-bonded Turntrans-60-24.1-169.200000114.7S94S94-G96 PolarHBondContact O-N 3.42Å
97Q97.9Very high98.2Very high167 Ų16760.5 Ų60.578%0.7832%0.319SS*.THydrogen-bonded Turntrans-109.4-51.4-179.6-60.1-176.92100111.4D95 R99 W100D95-Q97 PolarHBondContact O-N 2.73Å; D95-Q97 PolarHBondContact OD1-N 3.16Å; Q97-R99 PolarHBondContact O-N 3.35Å; Q97-W100 WeakPolarHBondContact O-CB 3.33Å; Q97-W100 PolarHBondContact O-N 2.74Å
98M97.7Very high98.2Very high30 Ų3057.5 Ų57.515%0.14830%0.303CS..G310 helixtrans-65.7-27-173.3-67.4-173.2-7500112.8A68 L69 L72 D95 W100 L101 I108A68-M98 HydrophobicContact CB-SD 4.05Å; L69-M98 HydrophobicContact CD2-CE 3.82Å; L69-M98 HydrophobicContact CD2-SD 3.99Å; L72-M98 HydrophobicContact CD1-CE 3.37Å; L72-M98 HydrophobicContact CG-CE 4.1Å; D95-M98 HydrophobicContact CB-CB 4.18Å; D95-M98 HydrophobicContact CB-CE 3.88Å; D95-M98 PolarHBondContact OD1-N 2.97Å; M98-W100 PolarHBondContact O-N 3.07Å; M98-W100 VanDerWaalsContact O-N 3.11Å; M98-L101 WeakPolarHBondContact O-CB 3.38Å; M98-L101 PolarHBondContact O-N 3.41Å; M98-I108 HydrophobicContact CB-CD1 4.41Å
99R97.9Very high98.2Very high81 Ų8157.2 Ų57.231%0.30630%0.302SS..G310 helixtrans-58.4-24.8173.374.2-179.3-70-70.6-7.5113.2D95 Q97 L101 G102 P103D95-R99 WeakPolarHBondContact O-CB 3.23Å; D95-R99 WeakPolarHBondContact O-CD 3.32Å; D95-R99 WeakPolarHBondContact O-CG 3.41Å; D95-R99 PolarHBondContact O-N 3.38Å; Q97-R99 PolarHBondContact O-N 3.35Å; R99-L101 PolarHBondContact O-N 3.36Å; R99-G102 PolarHBondContact O-N 3.3Å; R99-P103 HydrophobicContact CB-CB 4.32Å; R99-P103 WeakPolarHBondContact O-CA 3.39Å; R99-P103 VanDerWaalsContact O-CB 3.27Å; R99-P103 WeakPolarHBondContact O-CB 3.26Å; R99-P103 VanDerWaalsContact O-N 3.15Å
100W98.2Very high98.2Very high216 Ų21657.9 Ų57.982%0.81831%0.305SS*.G310 helixtrans-66.6-21.1178.3-165.1-94.9000112.6Q97 M98 G102Q97-W100 WeakPolarHBondContact O-CB 3.33Å; Q97-W100 PolarHBondContact O-N 2.74Å; M98-W100 PolarHBondContact O-N 3.07Å; M98-W100 VanDerWaalsContact O-N 3.11Å; W100-G102 VanDerWaalsContact C-N 3.31Å
101L97.6Very high98.2Very high131 Ų13153.4 Ų53.469%0.68629%0.288SS*.G310 helixtrans-85.6-2.7178.5-52.9179.4000113.3M98 R99M98-L101 WeakPolarHBondContact O-CB 3.38Å; M98-L101 PolarHBondContact O-N 3.41Å; R99-L101 PolarHBondContact O-N 3.36Å
102G97.8Very high98.3Very high18 Ų1850.8 Ų50.819%0.18628%0.275CS..  trans-122.3-90.4171.200000109R99 W100R99-G102 PolarHBondContact O-N 3.3Å; W100-G102 VanDerWaalsContact C-N 3.31Å
103P97.7Very high98.3Very high52 Ų5250.6 Ų50.634%0.33827%0.274SS..SBendcis-71.1146.6-20.728.9-34.1000111.4R99 K105R99-P103 HydrophobicContact CB-CB 4.32Å; R99-P103 WeakPolarHBondContact O-CA 3.39Å; R99-P103 VanDerWaalsContact O-CB 3.27Å; R99-P103 WeakPolarHBondContact O-CB 3.26Å; R99-P103 VanDerWaalsContact O-N 3.15Å; P103-K105 PolarHBondContact O-N 3.18Å
104E98.6Very high98.3Very high11 Ų1150.3 Ų50.35%0.05127%0.272CS..SBendtrans47.845.3177.8-64177.3116.200112.5Y89 T93 H109 H305 N306 R307Y89-E104 PolarHBondContact OH-OE1 3.27Å; T93-E104 HydrophobicContact CG2-CG 4.19Å; E104-H109 WeakPolarHBondContact CA-ND1 3.5Å; E104-H305 PolarHBondContact O-ND1 3.29Å; E104-N306 HydrophobicContact CB-CB 4.15Å; E104-N306 WeakPolarHBondContact O-CB 3.42Å; E104-N306 PolarHBondContact O-ND2 3.41Å; E104-R307 IonicContact OE1-CZ 3.51Å; E104-R307 VanDerWaalsContact OE1-CZ 3.32Å; E104-R307 IonicContact OE1-NH1 3.8Å; E104-R307 PolarHBondContact OE1-NH1 2.72Å; E104-R307 IonicContact OE1-NH2 3.95Å; E104-R307 PolarHBondContact OE1-NH2 3.37Å; E104-R307 IonicContact OE2-NH1 3.86Å; E104-R307 IonicContact OE2-NH2 2.74Å
105K98.8Very high98.3Very high81 Ų8148.8 Ų48.835%0.35226%0.262SS..SBendtrans-159163.6173.865.5175.471.9-149.40112.1P103 H305P103-K105 PolarHBondContact O-N 3.18Å; K105-H305 HydrophobicContact CB-CB 3.72Å; K105-H305 PolarHBondContact NZ-CE1 3.42Å; K105-H305 PolarHBondContact NZ-NE2 2.83Å
106G98.4Very high98.4Very high36 Ų3646.9 Ų46.937%0.37125%0.251SS..Hα-helixtrans61.7-150.8171.800000113.9I108 H109 L110G106-I108 VanDerWaalsContact C-N 3.34Å; G106-I108 PolarHBondContact O-N 3.34Å; G106-H109 PolarHBondContact O-N 3.24Å; G106-H109 VanDerWaalsContact O-N 3.12Å; G106-L110 WeakPolarHBondContact O-CG 3.42Å; G106-L110 PolarHBondContact O-N 3.5Å
107V98.7Very high98.5Very high60 Ų6043.6 Ų43.636%0.36422%0.218SC..Hα-helixtrans-52.6-46.6-173174.80000112.9I61 V62 A65 H109 L110 A111I61-V107 HydrophobicContact CG2-CG1 3.89Å; I61-V107 HydrophobicContact CG2-CG2 4.18Å; V62-V107 HydrophobicContact CG2-CG1 4.21Å; A65-V107 HydrophobicContact CB-CG1 3.73Å; V107-H109 VanDerWaalsContact C-N 3.28Å; V107-H109 PolarHBondContact O-N 2.8Å; V107-L110 PolarHBondContact O-N 2.93Å; V107-A111 PolarHBondContact O-N 3.13Å
108I98.6Very high98.5Very high14 Ų1435.7 Ų35.77%0.07218%0.18CC..Hα-helixtrans-65.9-35.1-175.8-167.660.6000111.5A65 L69 M98 G106 A111 T112A65-I108 HydrophobicContact CB-CD1 4.26Å; L69-I108 HydrophobicContact CD1-CD1 4.44Å; L69-I108 HydrophobicContact CD2-CD1 4.2Å; L69-I108 HydrophobicContact CG-CD1 4.29Å; M98-I108 HydrophobicContact CB-CD1 4.41Å; G106-I108 VanDerWaalsContact C-N 3.34Å; G106-I108 PolarHBondContact O-N 3.34Å; I108-A111 PolarHBondContact O-N 2.71Å; I108-T112 PolarHBondContact O-N 3.06Å; I108-T112 PolarHBondContact O-OG1 2.88Å
109H98.9Very high98.6Very high3 Ų334.2 Ų34.21%0.01417%0.173CC..Hα-helixtrans-77.1-35.4179.7-151.157.2000112.5E104 G106 V107 A111 T112 A113 H305 R328 G330 E334E104-H109 WeakPolarHBondContact CA-ND1 3.5Å; G106-H109 PolarHBondContact O-N 3.24Å; G106-H109 VanDerWaalsContact O-N 3.12Å; V107-H109 VanDerWaalsContact C-N 3.28Å; V107-H109 PolarHBondContact O-N 2.8Å; H109-A111 VanDerWaalsContact C-N 3.32Å; H109-A111 PolarHBondContact O-N 3.02Å; H109-T112 WeakPolarHBondContact O-CB 3.35Å; H109-T112 PolarHBondContact O-N 3.22Å; H109-A113 WeakPolarHBondContact O-CB 3.48Å; H109-A113 PolarHBondContact O-N 2.8Å; H109-H305 PolarHBondContact CD2-O 2.94Å; H109-H305 VanDerWaalsContact CD2-O 3.25Å; H109-R328 PolarHBondContact CD2-O 3.19Å; H109-G330 PolarHBondContact NE2-N 2.92Å; H109-G330 VanDerWaalsContact NE2-N 3.18Å; H109-E334 IonicContact CD2-OE2 2.92Å; H109-E334 IonicContact CE1-OE2 2.78Å; H109-E334 PolarHBondContact CE1-OE2 3.31Å; H109-E334 IonicContact NE2-OE2 3.37Å; H109-E334 PolarHBondContact NE2-OE2 3.32Å
110L98.9Very high98.6Very high15 Ų1530.4 Ų30.48%0.07916%0.159CC..Hα-helixtrans-59.3-45.2169.1-66179.8000110.9T52 V62 G106 V107 T112 A113 A114 C327T52-L110 WeakPolarHBondContact CB-O 3.44Å; T52-L110 HydrophobicContact CG2-CB 3.95Å; T52-L110 WeakPolarHBondContact CG2-O 3.3Å; T52-L110 WeakPolarHBondContact OG1-CD2 3.49Å; V62-L110 HydrophobicContact CG1-CB 4.25Å; V62-L110 HydrophobicContact CG2-CB 4.49Å; V62-L110 HydrophobicContact CG2-CD1 4.29Å; G106-L110 WeakPolarHBondContact O-CG 3.42Å; G106-L110 PolarHBondContact O-N 3.5Å; V107-L110 PolarHBondContact O-N 2.93Å; L110-T112 PolarHBondContact O-N 3.14Å; L110-A113 WeakPolarHBondContact O-CB 3.31Å; L110-A113 PolarHBondContact O-N 3.2Å; L110-A114 PolarHBondContact O-N 3.39Å; L110-C327 VanDerWaalsContact CD2-O 3.29Å; L110-C327 WeakPolarHBondContact CD2-O 3.43Å
111A98.9Very high98.7Very high0 Ų020.1 Ų20.10%012%0.12CC..Hα-helixtrans-61.8-43.1174.900000112V62 A65 V66 L69 V107 I108 H109 A113 A114 V115V62-A111 HydrophobicContact CG1-CB 4.34Å; A65-A111 HydrophobicContact CB-CB 3.57Å; V66-A111 HydrophobicContact CB-CB 4.4Å; V66-A111 HydrophobicContact CG2-CB 3.56Å; L69-A111 HydrophobicContact CD1-CB 3.96Å; V107-A111 PolarHBondContact O-N 3.13Å; I108-A111 PolarHBondContact O-N 2.71Å; H109-A111 VanDerWaalsContact C-N 3.32Å; H109-A111 PolarHBondContact O-N 3.02Å; A111-A113 VanDerWaalsContact C-N 3.33Å; A111-A113 PolarHBondContact O-N 2.93Å; A111-A114 PolarHBondContact O-N 3.08Å; A111-V115 WeakPolarHBondContact O-CG2 3.37Å; A111-V115 PolarHBondContact O-N 3.35Å; A111-V115 VanDerWaalsContact O-N 3.13Å
112T98.9Very high98.7Very high1 Ų113.9 Ų13.91%0.0069%0.087CC..Hα-helixtrans-59.4-42.5173.5-61.60000111.9L92 T93 I108 H109 L110 V115 L116L92-T112 HydrophobicContact CB-CG2 3.89Å; L92-T112 HydrophobicContact CD1-CG2 4.35Å; T93-T112 HydrophobicContact CG2-CG2 3.85Å; I108-T112 PolarHBondContact O-N 3.06Å; I108-T112 PolarHBondContact O-OG1 2.88Å; H109-T112 WeakPolarHBondContact O-CB 3.35Å; H109-T112 PolarHBondContact O-N 3.22Å; L110-T112 PolarHBondContact O-N 3.14Å; T112-V115 PolarHBondContact O-N 2.96Å; T112-L116 HydrophobicContact CG2-CD1 3.62Å; T112-L116 HydrophobicContact CG2-CG 4.19Å; T112-L116 WeakPolarHBondContact O-CB 3.44Å; T112-L116 WeakPolarHBondContact O-CG 3.45Å; T112-L116 PolarHBondContact O-N 3.37Å
113A98.9Very high98.8Very high0 Ų013.4 Ų13.40%08%0.08CC..Hα-helixtrans-59.8-48176.900000111.6H109 L110 A111 V115 L116 N117 C327 L329H109-A113 WeakPolarHBondContact O-CB 3.48Å; H109-A113 PolarHBondContact O-N 2.8Å; L110-A113 WeakPolarHBondContact O-CB 3.31Å; L110-A113 PolarHBondContact O-N 3.2Å; A111-A113 VanDerWaalsContact C-N 3.33Å; A111-A113 PolarHBondContact O-N 2.93Å; A113-V115 VanDerWaalsContact C-N 3.34Å; A113-V115 PolarHBondContact O-N 3.32Å; A113-L116 PolarHBondContact O-N 3.09Å; A113-N117 VanDerWaalsContact O-CB 3.26Å; A113-N117 WeakPolarHBondContact O-CB 3.4Å; A113-N117 PolarHBondContact O-N 3.37Å; A113-N117 PolarHBondContact O-ND2 2.89Å; A113-C327 VanDerWaalsContact CB-O 3.23Å; A113-C327 WeakPolarHBondContact CB-O 3.45Å; A113-L329 WeakPolarHBondContact CB-O 3.29Å
114A98.9Very high98.8Very high0 Ų010.9 Ų10.90%06%0.064CC..Hα-helixtrans-59.7-42.9178.900000112.7V38 L51 T52 V66 L110 A111 A118V38-A114 HydrophobicContact CG2-CB 3.76Å; L51-A114 WeakPolarHBondContact O-CA 3.21Å; T52-A114 HydrophobicContact CG2-CB 3.94Å; V66-A114 HydrophobicContact CG2-CB 4.44Å; L110-A114 PolarHBondContact O-N 3.39Å; A111-A114 PolarHBondContact O-N 3.08Å; A114-A118 PolarHBondContact O-N 2.96Å
115V98.9Very high98.8Very high0 Ų012.7 Ų12.70%07%0.07CC..Hα-helixtrans-65.7-47.7177.4170.90000111.4L8 V66 L69 V73 L92 A111 T112 A113 A118 V119L8-V115 HydrophobicContact CD1-CG1 4.49Å; L8-V115 HydrophobicContact CD1-CG2 4.14Å; V66-V115 HydrophobicContact CG1-CG2 3.98Å; L69-V115 HydrophobicContact CD1-CG2 4.42Å; V73-V115 HydrophobicContact CG2-CG1 3.71Å; L92-V115 HydrophobicContact CD1-CG1 4.03Å; A111-V115 WeakPolarHBondContact O-CG2 3.37Å; A111-V115 PolarHBondContact O-N 3.35Å; A111-V115 VanDerWaalsContact O-N 3.13Å; T112-V115 PolarHBondContact O-N 2.96Å; A113-V115 VanDerWaalsContact C-N 3.34Å; A113-V115 PolarHBondContact O-N 3.32Å; V115-A118 WeakPolarHBondContact O-CB 3.32Å; V115-A118 PolarHBondContact O-N 2.86Å; V115-V119 PolarHBondContact O-N 2.87Å; V115-V119 VanDerWaalsContact O-N 3.14Å
116L98.9Very high98.8Very high0 Ų012.2 Ų12.20%07%0.071CC..Hα-helixtrans-67.8-36.2-179.9-74.2172.7000112F85 F88 Y89 L92 T112 A113 A118 V119 W120F85-L116 HydrophobicContact CE1-CD2 3.71Å; F85-L116 HydrophobicContact CZ-CD2 4.4Å; F88-L116 HydrophobicContact CD1-CD2 4.02Å; F88-L116 HydrophobicContact CE1-CD2 3.87Å; Y89-L116 HydrophobicContact CD2-CD1 3.59Å; Y89-L116 HydrophobicContact CE2-CD1 3.89Å; L92-L116 HydrophobicContact CD1-CD2 3.88Å; L92-L116 HydrophobicContact CD1-CG 3.96Å; T112-L116 HydrophobicContact CG2-CD1 3.62Å; T112-L116 HydrophobicContact CG2-CG 4.19Å; T112-L116 WeakPolarHBondContact O-CB 3.44Å; T112-L116 WeakPolarHBondContact O-CG 3.45Å; T112-L116 PolarHBondContact O-N 3.37Å; A113-L116 PolarHBondContact O-N 3.09Å; L116-A118 PolarHBondContact O-N 3.2Å; L116-V119 WeakPolarHBondContact O-CB 3.4Å; L116-V119 PolarHBondContact O-N 3Å; L116-V119 VanDerWaalsContact O-N 3.08Å; L116-W120 VanDerWaalsContact O-CD1 3.27Å; L116-W120 PolarHBondContact O-N 3.36Å
117N98.9Very high98.8Very high0 Ų015.2 Ų15.20%08%0.075CC..Hα-helixtrans-57.4-41172.3-74.4-16.5000110.5L51 A113 V119 W120 D121 S326 S331 Y411L51-N117 PolarHBondContact O-ND2 3.31Å; L51-N117 VanDerWaalsContact O-ND2 3.09Å; A113-N117 VanDerWaalsContact O-CB 3.26Å; A113-N117 WeakPolarHBondContact O-CB 3.4Å; A113-N117 PolarHBondContact O-N 3.37Å; A113-N117 PolarHBondContact O-ND2 2.89Å; N117-V119 PolarHBondContact O-N 3.36Å; N117-W120 PolarHBondContact O-N 3.36Å; N117-D121 WeakPolarHBondContact O-CB 3.36Å; N117-D121 PolarHBondContact O-N 2.93Å; N117-S326 PolarHBondContact ND2-O 3.48Å; N117-S331 PolarHBondContact N-OG 3.5Å; N117-S331 WeakPolarHBondContact OD1-CB 3.46Å; N117-S331 PolarHBondContact OD1-OG 2.86Å; N117-Y411 HydrophobicContact CB-CD1 4.42Å; N117-Y411 HydrophobicContact CB-CE1 4.42Å
118A98.9Very high98.8Very high0 Ų014.7 Ų14.70%08%0.082CC..Hα-helixtrans-66.6-34.1175.200000113.9V38 L40 G48 F49 A114 V115 L116 L122V38-A118 HydrophobicContact CG1-CB 4.15Å; L40-A118 HydrophobicContact CD1-CB 3.66Å; L40-A118 HydrophobicContact CG-CB 3.75Å; G48-A118 WeakPolarHBondContact CA-O 3.38Å; F49-A118 VanDerWaalsContact C-CA 3.48Å; F49-A118 VanDerWaalsContact O-CA 3.31Å; F49-A118 WeakPolarHBondContact O-CA 3.42Å; A114-A118 PolarHBondContact O-N 2.96Å; V115-A118 WeakPolarHBondContact O-CB 3.32Å; V115-A118 PolarHBondContact O-N 2.86Å; L116-A118 PolarHBondContact O-N 3.2Å; A118-L122 WeakPolarHBondContact O-CB 3.34Å; A118-L122 PolarHBondContact O-N 3.42Å
119V98.9Very high98.8Very high0 Ų016.7 Ų16.70%09%0.09CC..Hα-helixtrans-68.5-43.2174.3173.80000111.2L40 L78 I81 F85 F88 V115 L116 N117 L122 W123L40-V119 HydrophobicContact CD1-CG2 3.7Å; L78-V119 HydrophobicContact CD1-CG1 4.03Å; I81-V119 HydrophobicContact CG2-CG1 3.84Å; F85-V119 HydrophobicContact CE1-CG1 4.14Å; F85-V119 HydrophobicContact CE2-CG1 4.41Å; F85-V119 HydrophobicContact CZ-CB 4.38Å; F85-V119 HydrophobicContact CZ-CG1 3.67Å; F88-V119 HydrophobicContact CE1-CG2 4.11Å; V115-V119 PolarHBondContact O-N 2.87Å; V115-V119 VanDerWaalsContact O-N 3.14Å; L116-V119 WeakPolarHBondContact O-CB 3.4Å; L116-V119 PolarHBondContact O-N 3Å; L116-V119 VanDerWaalsContact O-N 3.08Å; N117-V119 PolarHBondContact O-N 3.36Å; V119-L122 PolarHBondContact O-N 2.6Å; V119-W123 PolarHBondContact O-N 3.17Å
120W98.9Very high98.8Very high0 Ų017.2 Ų17.20%09%0.094CC..Hα-helixtrans-65.2-41.1176.7-82.7105.5000112.7F85 L116 N117 W123 A124 L131 L134 L135 M138 C146 V332 N333 Y411F85-W120 HydrophobicContact CD2-CH2 4.33Å; F85-W120 AromaticContact CD2-CZ2 3.83Å; F85-W120 HydrophobicContact CD2-CZ2 3.83Å; F85-W120 AromaticContact CE2-CD2 3.8Å; F85-W120 HydrophobicContact CE2-CD2 3.8Å; F85-W120 AromaticContact CE2-CE2 3.24Å; F85-W120 HydrophobicContact CE2-CE3 4.35Å; F85-W120 HydrophobicContact CE2-CG 4.35Å; F85-W120 HydrophobicContact CE2-CH2 4.05Å; F85-W120 AromaticContact CE2-CZ2 3.4Å; F85-W120 HydrophobicContact CE2-CZ2 3.4Å; F85-W120 HydrophobicContact CE2-CZ3 4.47Å; F85-W120 AromaticContact CE2-NE1 3.41Å; F85-W120 AromaticContact CZ-CD1 3.76Å; F85-W120 HydrophobicContact CZ-CD2 4.2Å; F85-W120 AromaticContact CZ-CE2 3.64Å; F85-W120 HydrophobicContact CZ-CG 4.29Å; F85-W120 HydrophobicContact CZ-CZ2 4.17Å; F85-W120 AromaticContact CZ-NE1 3.26Å; F85-W120 VanDerWaalsContact CZ-NE1 3.26Å; L116-W120 VanDerWaalsContact O-CD1 3.27Å; L116-W120 PolarHBondContact O-N 3.36Å; N117-W120 PolarHBondContact O-N 3.36Å; W120-W123 HydrophobicContact CD2-CE3 4.42Å; W120-W123 AromaticContact CE3-CE3 3.6Å; W120-W123 HydrophobicContact CE3-CE3 3.6Å; W120-W123 AromaticContact CE3-CZ3 3.98Å; W120-W123 HydrophobicContact CE3-CZ3 3.98Å; W120-W123 HydrophobicContact CH2-CE3 4.01Å; W120-W123 HydrophobicContact CH2-CH2 4.49Å; W120-W123 AromaticContact CH2-CZ3 3.49Å; W120-W123 HydrophobicContact CH2-CZ3 3.49Å; W120-W123 VanDerWaalsContact CH2-CZ3 3.49Å; W120-W123 HydrophobicContact CZ2-CZ3 4.34Å; W120-W123 AromaticContact CZ3-CE3 3.38Å; W120-W123 HydrophobicContact CZ3-CE3 3.38Å; W120-W123 HydrophobicContact CZ3-CH2 4.3Å; W120-W123 AromaticContact CZ3-CZ3 3.26Å; W120-W123 HydrophobicContact CZ3-CZ3 3.26Å; W120-W123 PolarHBondContact O-N 2.83Å; W120-A124 WeakPolarHBondContact O-CB 3.01Å; W120-A124 PolarHBondContact O-N 3.46Å; W120-L131 HydrophobicContact CB-CD1 4.24Å; W120-L131 HydrophobicContact CD2-CD1 4.19Å; W120-L131 HydrophobicContact CE3-CD1 3.44Å; W120-L131 VanDerWaalsContact CE3-CD1 3.44Å; W120-L131 HydrophobicContact CZ3-CD1 4.09Å; W120-L134 HydrophobicContact CE3-CD2 4.38Å; W120-L134 HydrophobicContact CZ3-CD2 4.33Å; W120-L135 HydrophobicContact CH2-CD2 3.77Å; W120-L135 HydrophobicContact CZ3-CD2 3.68Å; W120-M138 HydrophobicContact CH2-CE 4.25Å; W120-M138 HydrophobicContact CZ3-CE 4.03Å; W120-C146 HydrophobicContact CH2-CB 4.4Å; W120-C146 HydrophobicContact CZ2-CB 4.18Å; W120-V332 HydrophobicContact CB-CG2 4.03Å; W120-V332 HydrophobicContact CD2-CB 3.94Å; W120-V332 HydrophobicContact CD2-CG1 4.22Å; W120-V332 HydrophobicContact CD2-CG2 3.88Å; W120-V332 HydrophobicContact CG-CB 4.01Å; W120-V332 HydrophobicContact CG-CG2 3.55Å; W120-V332 HydrophobicContact CH2-CG1 4.3Å; W120-V332 HydrophobicContact CZ2-CB 4.08Å; W120-V332 HydrophobicContact CZ2-CG1 3.95Å; W120-N333 PolarHBondContact NE1-OD1 3.5Å; W120-Y411 HydrophobicContact CB-CD1 4.19Å
121D98.9Very high98.8Very high0 Ų016.5 Ų16.50%09%0.09CC..Hα-helixtrans-60.3-47.6172.7178.876.7000111.4G48 F49 N117 W123 A124 R125 G410 Y411G48-D121 WeakPolarHBondContact CA-OD2 3.13Å; F49-D121 WeakPolarHBondContact CD2-OD2 3.37Å; F49-D121 PolarHBondContact N-OD2 3.22Å; F49-D121 WeakPolarHBondContact O-CB 3.28Å; N117-D121 WeakPolarHBondContact O-CB 3.36Å; N117-D121 PolarHBondContact O-N 2.93Å; D121-W123 VanDerWaalsContact C-N 3.31Å; D121-W123 PolarHBondContact O-N 3.43Å; D121-A124 PolarHBondContact O-N 2.78Å; D121-R125 VanDerWaalsContact CG-NE 3.28Å; D121-R125 WeakPolarHBondContact O-CB 3.47Å; D121-R125 VanDerWaalsContact O-CG 3.27Å; D121-R125 WeakPolarHBondContact O-CG 3.46Å; D121-R125 PolarHBondContact O-N 2.96Å; D121-R125 IonicContact OD1-CZ 3.93Å; D121-R125 IonicContact OD1-NE 3.69Å; D121-R125 PolarHBondContact OD1-NE 3.25Å; D121-R125 VanDerWaalsContact OD1-NE 3.1Å; D121-R125 IonicContact OD1-NH2 2.79Å; D121-R125 WeakPolarHBondContact OD2-CD 3.49Å; D121-R125 IonicContact OD2-CZ 3.72Å; D121-R125 IonicContact OD2-NE 3.89Å; D121-R125 PolarHBondContact OD2-NE 3.27Å; D121-R125 IonicContact OD2-NH2 3.16Å; D121-G410 WeakPolarHBondContact OD1-CA 3.36Å; D121-Y411 PolarHBondContact OD1-N 3.42Å
122L98.8Very high98.8Very high0 Ų017 Ų170%09%0.092CC..Hα-helixtrans-57.7-43.5176.4-178.958000112.1T42 L46 L78 A118 V119 R125 L126T42-L122 HydrophobicContact CG2-CD1 3.97Å; T42-L122 HydrophobicContact CG2-CD2 3.71Å; L46-L122 HydrophobicContact CB-CD1 4.23Å; L46-L122 HydrophobicContact CD2-CD1 3.64Å; L46-L122 HydrophobicContact CG-CD1 3.66Å; L78-L122 HydrophobicContact CD1-CD2 4.12Å; L78-L122 HydrophobicContact CD1-CG 4.32Å; L78-L122 HydrophobicContact CD2-CD2 4.22Å; L78-L122 HydrophobicContact CD2-CG 3.83Å; A118-L122 WeakPolarHBondContact O-CB 3.34Å; A118-L122 PolarHBondContact O-N 3.42Å; V119-L122 PolarHBondContact O-N 2.6Å; L122-R125 PolarHBondContact O-N 2.69Å; L122-L126 WeakPolarHBondContact O-CB 3.33Å; L122-L126 PolarHBondContact O-N 3.12Å
123W98.8Very high98.8Very high8 Ų818.9 Ų18.93%0.0310%0.1CC..Hα-helixtrans-65.9-48.4179-173.814.1000111.8L78 V82 F85 V119 W120 D121 R125 L126 E127 L134 M138L78-W123 HydrophobicContact CD1-CB 4.36Å; L78-W123 HydrophobicContact CD2-CB 4.3Å; V82-W123 HydrophobicContact CB-CD2 4.12Å; V82-W123 HydrophobicContact CB-CE3 4.18Å; V82-W123 HydrophobicContact CB-CH2 4.24Å; V82-W123 HydrophobicContact CB-CZ2 4.21Å; V82-W123 HydrophobicContact CB-CZ3 4.22Å; V82-W123 HydrophobicContact CG1-CB 4.31Å; V82-W123 HydrophobicContact CG1-CD2 3.55Å; V82-W123 HydrophobicContact CG1-CE3 3.63Å; V82-W123 HydrophobicContact CG1-CG 3.86Å; V82-W123 HydrophobicContact CG1-CZ3 4.15Å; F85-W123 HydrophobicContact CD2-CE3 4.4Å; F85-W123 HydrophobicContact CD2-CZ3 4.03Å; F85-W123 HydrophobicContact CE2-CE3 4.09Å; F85-W123 HydrophobicContact CE2-CZ3 4.12Å; V119-W123 PolarHBondContact O-N 3.17Å; W120-W123 HydrophobicContact CD2-CE3 4.42Å; W120-W123 AromaticContact CE3-CE3 3.6Å; W120-W123 HydrophobicContact CE3-CE3 3.6Å; W120-W123 AromaticContact CE3-CZ3 3.98Å; W120-W123 HydrophobicContact CE3-CZ3 3.98Å; W120-W123 HydrophobicContact CH2-CE3 4.01Å; W120-W123 HydrophobicContact CH2-CH2 4.49Å; W120-W123 AromaticContact CH2-CZ3 3.49Å; W120-W123 HydrophobicContact CH2-CZ3 3.49Å; W120-W123 VanDerWaalsContact CH2-CZ3 3.49Å; W120-W123 HydrophobicContact CZ2-CZ3 4.34Å; W120-W123 AromaticContact CZ3-CE3 3.38Å; W120-W123 HydrophobicContact CZ3-CE3 3.38Å; W120-W123 HydrophobicContact CZ3-CH2 4.3Å; W120-W123 AromaticContact CZ3-CZ3 3.26Å; W120-W123 HydrophobicContact CZ3-CZ3 3.26Å; W120-W123 PolarHBondContact O-N 2.83Å; D121-W123 VanDerWaalsContact C-N 3.31Å; D121-W123 PolarHBondContact O-N 3.43Å; W123-R125 VanDerWaalsContact C-N 3.28Å; W123-R125 PolarHBondContact O-N 2.91Å; W123-L126 PolarHBondContact O-N 3.24Å; W123-E127 WeakPolarHBondContact O-CG 3.35Å; W123-E127 PolarHBondContact O-N 3.27Å; W123-L134 HydrophobicContact CB-CD2 4.35Å; W123-L134 HydrophobicContact CD2-CD2 3.73Å; W123-L134 HydrophobicContact CE3-CD2 4.07Å; W123-L134 HydrophobicContact CG-CD2 3.87Å; W123-L134 HydrophobicContact CZ2-CD1 4.46Å; W123-M138 HydrophobicContact CH2-CE 3.18Å; W123-M138 HydrophobicContact CH2-SD 3.99Å; W123-M138 HydrophobicContact CZ2-CE 3.78Å; W123-M138 HydrophobicContact CZ3-CE 3.65Å
124A98.8Very high98.8Very high0 Ų019.4 Ų19.40%010%0.103CC..Hα-helixtrans-59.6-39.3177.300000112W120 D121 E127 G128 K129 L131 L134W120-A124 WeakPolarHBondContact O-CB 3.01Å; W120-A124 PolarHBondContact O-N 3.46Å; D121-A124 PolarHBondContact O-N 2.78Å; A124-E127 PolarHBondContact O-N 3.1Å; A124-G128 PolarHBondContact O-N 2.81Å; A124-G128 VanDerWaalsContact O-N 3.1Å; A124-K129 CarbonylContact C-O 3.58Å; A124-K129 WeakPolarHBondContact CB-O 3.47Å; A124-K129 PolarHBondContact O-N 3.49Å; A124-L131 HydrophobicContact CB-CB 4.29Å; A124-L131 HydrophobicContact CB-CD1 4.36Å; A124-L134 HydrophobicContact CB-CD2 4.03Å
125R98.6Very high98.8Very high48 Ų4819.4 Ų19.418%0.18110%0.103CC..Hα-helixtrans-65.4-43.1173.9-72.7172.5-175.3-97-4.2113.2L46 K47 D121 L122 W123 E127 G128 P409 E414L46-R125 HydrophobicContact CD1-CB 4.25Å; K47-R125 WeakPolarHBondContact O-CD 3.48Å; D121-R125 VanDerWaalsContact CG-NE 3.28Å; D121-R125 WeakPolarHBondContact O-CB 3.47Å; D121-R125 VanDerWaalsContact O-CG 3.27Å; D121-R125 WeakPolarHBondContact O-CG 3.46Å; D121-R125 PolarHBondContact O-N 2.96Å; D121-R125 IonicContact OD1-CZ 3.93Å; D121-R125 IonicContact OD1-NE 3.69Å; D121-R125 PolarHBondContact OD1-NE 3.25Å; D121-R125 VanDerWaalsContact OD1-NE 3.1Å; D121-R125 IonicContact OD1-NH2 2.79Å; D121-R125 WeakPolarHBondContact OD2-CD 3.49Å; D121-R125 IonicContact OD2-CZ 3.72Å; D121-R125 IonicContact OD2-NE 3.89Å; D121-R125 PolarHBondContact OD2-NE 3.27Å; D121-R125 IonicContact OD2-NH2 3.16Å; L122-R125 PolarHBondContact O-N 2.69Å; W123-R125 VanDerWaalsContact C-N 3.28Å; W123-R125 PolarHBondContact O-N 2.91Å; R125-E127 PolarHBondContact O-N 3.28Å; R125-G128 PolarHBondContact O-N 2.83Å; R125-P409 HydrophobicContact CG-CB 4.4Å; R125-E414 IonicContact CZ-OE2 2.76Å; R125-E414 IonicContact NH1-OE2 3.89Å; R125-E414 PolarHBondContact NH1-OE2 2.84Å; R125-E414 IonicContact NH2-OE2 3.65Å; R125-E414 PolarHBondContact NH2-OE2 3.48Å
126L98.1Very high98.8Very high72 Ų7219.5 Ų19.538%0.37710%0.104SC..Hα-helixtrans-59.7-39.8177-177.967.1000111.4Q3 L46 L78 L122 W123 G128Q3-L126 HydrophobicContact CG-CD1 3.92Å; Q3-L126 HydrophobicContact CG-CD2 4.09Å; L46-L126 HydrophobicContact CD2-CB 3.86Å; L46-L126 HydrophobicContact CD2-CD1 3.95Å; L78-L126 HydrophobicContact CD2-CB 4.29Å; L78-L126 HydrophobicContact CD2-CD2 3.71Å; L122-L126 WeakPolarHBondContact O-CB 3.33Å; L122-L126 PolarHBondContact O-N 3.12Å; W123-L126 PolarHBondContact O-N 3.24Å; L126-G128 PolarHBondContact O-N 2.79Å
127E98.3Very high98.8Very high98 Ų9822.6 Ų22.646%0.45812%0.12SC..THydrogen-bonded Turntrans-80-4.4178.1-63.1-65.1162.600113.3W123 A124 R125 K129 L134W123-E127 WeakPolarHBondContact O-CG 3.35Å; W123-E127 PolarHBondContact O-N 3.27Å; A124-E127 PolarHBondContact O-N 3.1Å; R125-E127 PolarHBondContact O-N 3.28Å; E127-K129 VanDerWaalsContact C-N 3.3Å; E127-K129 PolarHBondContact O-N 3.22Å; E127-L134 HydrophobicContact CB-CD1 4.25Å; E127-L134 HydrophobicContact CG-CD1 3.94Å
128G98.4Very high98.7Very high49 Ų4923.3 Ų23.351%0.50512%0.123SC..THydrogen-bonded Turntrans64.231.3-178.800000113.6A124 R125 L126A124-G128 PolarHBondContact O-N 2.81Å; A124-G128 VanDerWaalsContact O-N 3.1Å; R125-G128 PolarHBondContact O-N 2.83Å; L126-G128 PolarHBondContact O-N 2.79Å
129K98.8Very high98.7Very high57 Ų5727 Ų2725%0.24814%0.143CC..SBendtrans-127.7145.8-175.6-68.8177.1-173.7-170.10111.9A124 E127 K133 L134 D137 P409 G410A124-K129 CarbonylContact C-O 3.58Å; A124-K129 WeakPolarHBondContact CB-O 3.47Å; A124-K129 PolarHBondContact O-N 3.49Å; E127-K129 VanDerWaalsContact C-N 3.3Å; E127-K129 PolarHBondContact O-N 3.22Å; K129-K133 HydrophobicContact CB-CB 4.46Å; K129-K133 HydrophobicContact CD-CG 4.35Å; K129-L134 HydrophobicContact CB-CB 4.37Å; K129-D137 IonicContact NZ-OD2 2.65Å; K129-D137 PolarHBondContact NZ-OD2 2.77Å; K129-P409 WeakPolarHBondContact O-CA 3.18Å; K129-G410 PolarHBondContact O-N 3.49Å
130P98.9Very high98.7Very high13 Ų1327.5 Ų27.58%0.08415%0.147CC..BIsolated β-bridgetrans-61.3146.8161.126.8-32.5000108.9W132 K133 L134 P406 D408 G410P130-W132 PolarHBondContact O-N 2.99Å; P130-W132 VanDerWaalsContact O-N 3.12Å; P130-K133 HydrophobicContact CG-CB 3.79Å; P130-K133 PolarHBondContact O-N 2.88Å; P130-L134 PolarHBondContact O-N 3.07Å; P130-P406 HydrophobicContact CB-CB 4.14Å; P130-P406 WeakPolarHBondContact CG-O 3.39Å; P130-D408 VanDerWaalsContact CA-O 3.31Å; P130-D408 WeakPolarHBondContact CA-O 3.32Å; P130-D408 WeakPolarHBondContact CB-O 3.22Å; P130-G410 CarbonylContact C-O 3.56Å; P130-G410 WeakPolarHBondContact CA-O 3.42Å
131L98.9Very high98.7Very high0 Ų034.3 Ų34.30%018%0.176CC..Hα-helixtrans-54.8-39.8-172.5176.568.7000112.7W120 A124 K133 L134 L135 V332 H364 G410 Y411W120-L131 HydrophobicContact CB-CD1 4.24Å; W120-L131 HydrophobicContact CD2-CD1 4.19Å; W120-L131 HydrophobicContact CE3-CD1 3.44Å; W120-L131 VanDerWaalsContact CE3-CD1 3.44Å; W120-L131 HydrophobicContact CZ3-CD1 4.09Å; A124-L131 HydrophobicContact CB-CB 4.29Å; A124-L131 HydrophobicContact CB-CD1 4.36Å; L131-K133 PolarHBondContact O-N 3.1Å; L131-L134 HydrophobicContact CD1-CD2 4.16Å; L131-L134 WeakPolarHBondContact O-CB 3.45Å; L131-L134 PolarHBondContact O-N 2.76Å; L131-L134 VanDerWaalsContact O-N 3.15Å; L131-L135 HydrophobicContact CD1-CD1 4.41Å; L131-L135 HydrophobicContact CD1-CG 4.19Å; L131-L135 HydrophobicContact CD2-CD1 4.38Å; L131-L135 HydrophobicContact CG-CD1 4.08Å; L131-L135 HydrophobicContact CG-CG 4.3Å; L131-L135 WeakPolarHBondContact O-CG 3.4Å; L131-L135 PolarHBondContact O-N 2.78Å; L131-V332 HydrophobicContact CD2-CG2 3.63Å; L131-H364 HydrophobicContact CB-CB 4.29Å; L131-H364 HydrophobicContact CD2-CB 4.31Å; L131-G410 PolarHBondContact N-O 2.89Å; L131-Y411 HydrophobicContact CB-CD2 3.95Å; L131-Y411 HydrophobicContact CB-CG 4.21Å; L131-Y411 HydrophobicContact CD2-CD1 3.67Å; L131-Y411 HydrophobicContact CD2-CD2 3.25Å; L131-Y411 HydrophobicContact CD2-CE1 3.64Å; L131-Y411 HydrophobicContact CD2-CE2 3.22Å; L131-Y411 HydrophobicContact CD2-CG 3.48Å; L131-Y411 VanDerWaalsContact CD2-CG 3.48Å; L131-Y411 VanDerWaalsContact CD2-CZ 3.42Å; L131-Y411 HydrophobicContact CG-CD2 4.2Å; L131-Y411 HydrophobicContact CG-CE2 4.46Å; L131-Y411 HydrophobicContact CG-CG 4.4Å
132W98.9Very high98.7Very high10 Ų1037.8 Ų37.84%0.03819%0.192CC..Hα-helixtrans-58.9-39.9-179.574.5-100.3000110.5P130 L135 V136 E176 M180 H364 L367 I371 T405 P406P130-W132 PolarHBondContact O-N 2.99Å; P130-W132 VanDerWaalsContact O-N 3.12Å; W132-L135 PolarHBondContact O-N 2.96Å; W132-V136 HydrophobicContact CE3-CG2 4.02Å; W132-V136 HydrophobicContact CZ3-CG2 4.37Å; W132-V136 WeakPolarHBondContact O-CB 3.24Å; W132-V136 WeakPolarHBondContact O-CG2 3.24Å; W132-V136 PolarHBondContact O-N 3.47Å; W132-E176 HydrophobicContact CH2-CG 4.1Å; W132-E176 HydrophobicContact CZ3-CG 3.99Å; W132-M180 HydrophobicContact CH2-CG 4.32Å; W132-H364 HydrophobicContact CB-CB 3.93Å; W132-H364 WeakPolarHBondContact CB-O 3.46Å; W132-H364 AromaticContact CD1-ND1 3.48Å; W132-H364 AromaticContact CG-ND1 3.97Å; W132-H364 PolarHBondContact N-ND1 3.01Å; W132-H364 VanDerWaalsContact N-ND1 3.19Å; W132-L367 HydrophobicContact CB-CB 3.99Å; W132-L367 HydrophobicContact CB-CD1 4.21Å; W132-L367 HydrophobicContact CD2-CD1 4.32Å; W132-L367 HydrophobicContact CG-CB 4.33Å; W132-L367 HydrophobicContact CG-CD1 3.91Å; W132-I371 HydrophobicContact CE3-CD1 4Å; W132-I371 HydrophobicContact CZ3-CD1 3.82Å; W132-T405 HydrophobicContact CZ2-CG2 4.14Å; W132-P406 PolarHBondContact NE1-O 3.45Å
133K98.9Very high98.7Very high42 Ų4238 Ų3818%0.18319%0.193CC..Hα-helixtrans-75.9-35.2178.9-173.453.7172.9163.50111.8K129 P130 L131 V136 D137 E176K129-K133 HydrophobicContact CB-CB 4.46Å; K129-K133 HydrophobicContact CD-CG 4.35Å; P130-K133 HydrophobicContact CG-CB 3.79Å; P130-K133 PolarHBondContact O-N 2.88Å; L131-K133 PolarHBondContact O-N 3.1Å; K133-V136 HydrophobicContact CD-CG1 4.46Å; K133-V136 PolarHBondContact O-N 2.93Å; K133-D137 VanDerWaalsContact CE-OD1 3.28Å; K133-D137 WeakPolarHBondContact CE-OD1 3.29Å; K133-D137 WeakPolarHBondContact CE-OD2 3.46Å; K133-D137 IonicContact NZ-OD1 2.95Å; K133-D137 PolarHBondContact NZ-OD1 2.71Å; K133-D137 IonicContact NZ-OD2 3.36Å; K133-D137 WeakPolarHBondContact O-CB 3.05Å; K133-D137 PolarHBondContact O-N 3.36Å; K133-E176 WeakPolarHBondContact CD-OE1 3.42Å; K133-E176 WeakPolarHBondContact CE-OE1 3.42Å; K133-E176 IonicContact NZ-OE1 2.91Å; K133-E176 PolarHBondContact NZ-OE1 3.22Å; K133-E176 IonicContact NZ-OE2 2.77Å; K133-E176 PolarHBondContact NZ-OE2 3.12Å
134L98.9Very high98.7Very high10 Ų1037.9 Ų37.95%0.05219%0.194CC..Hα-helixtrans-56.3-50.5169.6173.463000110.7W120 W123 A124 E127 K129 P130 L131 D137 M138W120-L134 HydrophobicContact CE3-CD2 4.38Å; W120-L134 HydrophobicContact CZ3-CD2 4.33Å; W123-L134 HydrophobicContact CB-CD2 4.35Å; W123-L134 HydrophobicContact CD2-CD2 3.73Å; W123-L134 HydrophobicContact CE3-CD2 4.07Å; W123-L134 HydrophobicContact CG-CD2 3.87Å; W123-L134 HydrophobicContact CZ2-CD1 4.46Å; A124-L134 HydrophobicContact CB-CD2 4.03Å; E127-L134 HydrophobicContact CB-CD1 4.25Å; E127-L134 HydrophobicContact CG-CD1 3.94Å; K129-L134 HydrophobicContact CB-CB 4.37Å; P130-L134 PolarHBondContact O-N 3.07Å; L131-L134 HydrophobicContact CD1-CD2 4.16Å; L131-L134 WeakPolarHBondContact O-CB 3.45Å; L131-L134 PolarHBondContact O-N 2.76Å; L131-L134 VanDerWaalsContact O-N 3.15Å; L134-D137 PolarHBondContact O-N 3.21Å; L134-M138 HydrophobicContact CD1-CE 4.33Å; L134-M138 HydrophobicContact CG-CE 4.08Å; L134-M138 WeakPolarHBondContact O-CB 3.29Å; L134-M138 PolarHBondContact O-N 3.18Å; L134-M138 VanDerWaalsContact O-N 3.12Å
135L98.9Very high98.7Very high1 Ų139.9 Ų39.91%0.00521%0.208CC..Hα-helixtrans-64.9-43.6179.2-67.8172.8000112.2W120 L131 W132 D137 M138 V332 L336 F368W120-L135 HydrophobicContact CH2-CD2 3.77Å; W120-L135 HydrophobicContact CZ3-CD2 3.68Å; L131-L135 HydrophobicContact CD1-CD1 4.41Å; L131-L135 HydrophobicContact CD1-CG 4.19Å; L131-L135 HydrophobicContact CD2-CD1 4.38Å; L131-L135 HydrophobicContact CG-CD1 4.08Å; L131-L135 HydrophobicContact CG-CG 4.3Å; L131-L135 WeakPolarHBondContact O-CG 3.4Å; L131-L135 PolarHBondContact O-N 2.78Å; W132-L135 PolarHBondContact O-N 2.96Å; L135-D137 VanDerWaalsContact C-N 3.34Å; L135-D137 PolarHBondContact O-N 3.21Å; L135-M138 HydrophobicContact CD2-CE 4.22Å; L135-M138 WeakPolarHBondContact O-CB 3.25Å; L135-M138 PolarHBondContact O-N 2.93Å; L135-V332 HydrophobicContact CD1-CG1 3.9Å; L135-V332 HydrophobicContact CD2-CG1 4.1Å; L135-L336 HydrophobicContact CD2-CD1 4.38Å; L135-F368 HydrophobicContact CB-CB 4.23Å; L135-F368 HydrophobicContact CB-CD2 3.45Å; L135-F368 VanDerWaalsContact CB-CD2 3.45Å; L135-F368 HydrophobicContact CB-CE2 3.99Å; L135-F368 HydrophobicContact CB-CG 3.92Å; L135-F368 HydrophobicContact CD1-CB 4.13Å; L135-F368 HydrophobicContact CD1-CD2 4.49Å; L135-F368 HydrophobicContact CD1-CG 4.14Å
136V98.9Very high98.7Very high2 Ų237.6 Ų37.61%0.01220%0.199CC..Hα-helixtrans-60.3-43.9177.21640000110.6W132 K133 M138 K172 E176 F368 I371W132-V136 HydrophobicContact CE3-CG2 4.02Å; W132-V136 HydrophobicContact CZ3-CG2 4.37Å; W132-V136 WeakPolarHBondContact O-CB 3.24Å; W132-V136 WeakPolarHBondContact O-CG2 3.24Å; W132-V136 PolarHBondContact O-N 3.47Å; K133-V136 HydrophobicContact CD-CG1 4.46Å; K133-V136 PolarHBondContact O-N 2.93Å; V136-M138 VanDerWaalsContact C-N 3.3Å; V136-M138 PolarHBondContact O-N 3.02Å; V136-K172 WeakPolarHBondContact O-CE 3.31Å; V136-K172 PolarHBondContact O-NZ 3.37Å; V136-E176 WeakPolarHBondContact CG1-OE2 3.39Å; V136-F368 HydrophobicContact CG2-CD2 4.31Å; V136-I371 HydrophobicContact CG1-CG2 3.88Å; V136-I371 HydrophobicContact CG2-CB 3.93Å; V136-I371 HydrophobicContact CG2-CD1 3.98Å; V136-I371 HydrophobicContact CG2-CG2 3.78Å
137D98.7Very high98.7Very high64 Ų6434.2 Ų34.234%0.34218%0.181SC..Hα-helixtrans-78.5-11.8-178.3-71.3-13.9000114.5K129 K133 L134 L135K129-D137 IonicContact NZ-OD2 2.65Å; K129-D137 PolarHBondContact NZ-OD2 2.77Å; K133-D137 VanDerWaalsContact CE-OD1 3.28Å; K133-D137 WeakPolarHBondContact CE-OD1 3.29Å; K133-D137 WeakPolarHBondContact CE-OD2 3.46Å; K133-D137 IonicContact NZ-OD1 2.95Å; K133-D137 PolarHBondContact NZ-OD1 2.71Å; K133-D137 IonicContact NZ-OD2 3.36Å; K133-D137 WeakPolarHBondContact O-CB 3.05Å; K133-D137 PolarHBondContact O-N 3.36Å; L134-D137 PolarHBondContact O-N 3.21Å; L135-D137 VanDerWaalsContact C-N 3.34Å; L135-D137 PolarHBondContact O-N 3.21Å
138M98.5Very high98.7Very high15 Ų1529.9 Ų29.97%0.07416%0.161CC..SBendtrans-66.4143-177.8-164.2172.2-62.500111.7W120 W123 L134 L135 V136 Q142 V143W120-M138 HydrophobicContact CH2-CE 4.25Å; W120-M138 HydrophobicContact CZ3-CE 4.03Å; W123-M138 HydrophobicContact CH2-CE 3.18Å; W123-M138 HydrophobicContact CH2-SD 3.99Å; W123-M138 HydrophobicContact CZ2-CE 3.78Å; W123-M138 HydrophobicContact CZ3-CE 3.65Å; L134-M138 HydrophobicContact CD1-CE 4.33Å; L134-M138 HydrophobicContact CG-CE 4.08Å; L134-M138 WeakPolarHBondContact O-CB 3.29Å; L134-M138 PolarHBondContact O-N 3.18Å; L134-M138 VanDerWaalsContact O-N 3.12Å; L135-M138 HydrophobicContact CD2-CE 4.22Å; L135-M138 WeakPolarHBondContact O-CB 3.25Å; L135-M138 PolarHBondContact O-N 2.93Å; V136-M138 VanDerWaalsContact C-N 3.3Å; V136-M138 PolarHBondContact O-N 3.02Å; M138-Q142 HydrophobicContact CG-CB 3.74Å; M138-Q142 HydrophobicContact CG-CG 3.74Å; M138-Q142 HydrophobicContact SD-CB 4.17Å; M138-Q142 HydrophobicContact SD-CG 3.76Å; M138-V143 HydrophobicContact CB-CG2 3.8Å; M138-V143 HydrophobicContact CG-CG2 3.81Å; M138-V143 HydrophobicContact SD-CB 4.44Å; M138-V143 HydrophobicContact SD-CG2 3.76Å
139D98.3Very high98.8Very high79 Ų7927.8 Ų27.842%0.42214%0.138SC..  trans-63.6136.3170.8-178.1-96.5000109.7K141 Q142 V143D139-K141 PolarHBondContact O-N 3.25Å; D139-K141 VanDerWaalsContact O-N 3.09Å; D139-K141 WeakPolarHBondContact OD1-CB 3.2Å; D139-K141 WeakPolarHBondContact OD1-CG 3.36Å; D139-K141 PolarHBondContact OD1-N 3.39Å; D139-Q142 HydrophobicContact CB-CB 4.39Å; D139-Q142 WeakPolarHBondContact O-CA 3.31Å; D139-Q142 WeakPolarHBondContact O-CB 3.48Å; D139-Q142 PolarHBondContact O-N 3.31Å; D139-V143 PolarHBondContact O-N 3.07Å
140P98.8Very high98.8Very high10 Ų1027.7 Ų27.77%0.06514%0.136CC..Hα-helixtrans-52.3-34179.4-32.837.8000115.1Q142 V143 V144 L162 L165 V166P140-Q142 VanDerWaalsContact C-N 3.3Å; P140-Q142 PolarHBondContact O-N 3.01Å; P140-V143 PolarHBondContact O-N 3.43Å; P140-V144 WeakPolarHBondContact O-CG2 3.33Å; P140-V144 PolarHBondContact O-N 3.41Å; P140-L162 HydrophobicContact CB-CD1 3.53Å; P140-L165 HydrophobicContact CB-CB 3.79Å; P140-L165 HydrophobicContact CB-CD1 4.27Å; P140-L165 HydrophobicContact CG-CB 4.25Å; P140-V166 HydrophobicContact CB-CG2 4.26Å; P140-V166 HydrophobicContact CG-CG2 4.31Å
141K98.6Very high98.8Very high143 Ų14332.4 Ų32.462%0.62215%0.153SC*.Hα-helixtrans-68-34.6176.5-62179.7176.7179.40111.5D139 V144 S145 L162D139-K141 PolarHBondContact O-N 3.25Å; D139-K141 VanDerWaalsContact O-N 3.09Å; D139-K141 WeakPolarHBondContact OD1-CB 3.2Å; D139-K141 WeakPolarHBondContact OD1-CG 3.36Å; D139-K141 PolarHBondContact OD1-N 3.39Å; K141-V144 PolarHBondContact O-N 3.25Å; K141-S145 WeakPolarHBondContact O-CB 3.44Å; K141-S145 PolarHBondContact O-N 2.84Å; K141-L162 HydrophobicContact CG-CD1 3.92Å; K141-L162 HydrophobicContact CG-CD2 4.23Å
142Q98.6Very high98.8Very high73 Ų7332.4 Ų32.434%0.34115%0.153SC..Hα-helixtrans-71.8-35.9175.8-174-179.98.900111.5M138 D139 P140 S145 C146M138-Q142 HydrophobicContact CG-CB 3.74Å; M138-Q142 HydrophobicContact CG-CG 3.74Å; M138-Q142 HydrophobicContact SD-CB 4.17Å; M138-Q142 HydrophobicContact SD-CG 3.76Å; D139-Q142 HydrophobicContact CB-CB 4.39Å; D139-Q142 WeakPolarHBondContact O-CA 3.31Å; D139-Q142 WeakPolarHBondContact O-CB 3.48Å; D139-Q142 PolarHBondContact O-N 3.31Å; P140-Q142 VanDerWaalsContact C-N 3.3Å; P140-Q142 PolarHBondContact O-N 3.01Å; Q142-S145 WeakPolarHBondContact CA-OG 3.34Å; Q142-S145 PolarHBondContact O-N 2.76Å; Q142-S145 PolarHBondContact O-OG 2.73Å; Q142-C146 PolarHBondContact O-N 3.13Å; Q142-C146 PolarHBondContact O-SG 3.33Å
143V98.8Very high98.8Very high3 Ų336 Ų362%0.01818%0.176CC..Hα-helixtrans-59.3-49.4170.1178.70000110.1M138 D139 P140 S145 C146 L165 L336 F368M138-V143 HydrophobicContact CB-CG2 3.8Å; M138-V143 HydrophobicContact CG-CG2 3.81Å; M138-V143 HydrophobicContact SD-CB 4.44Å; M138-V143 HydrophobicContact SD-CG2 3.76Å; D139-V143 PolarHBondContact O-N 3.07Å; P140-V143 PolarHBondContact O-N 3.43Å; V143-S145 VanDerWaalsContact C-N 3.33Å; V143-S145 PolarHBondContact O-N 3.31Å; V143-C146 WeakPolarHBondContact O-CB 3.4Å; V143-C146 PolarHBondContact O-N 2.81Å; V143-C146 VanDerWaalsContact O-N 3.09Å; V143-L165 HydrophobicContact CB-CD1 3.88Å; V143-L165 HydrophobicContact CG1-CD1 3.76Å; V143-L165 HydrophobicContact CG1-CD2 4.48Å; V143-L336 HydrophobicContact CG1-CD1 4.13Å; V143-L336 HydrophobicContact CG1-CD2 4.33Å; V143-F368 HydrophobicContact CG1-CZ 4.15Å
144V98.8Very high98.8Very high7 Ų738.6 Ų38.64%0.04219%0.192CC..Hα-helixtrans-63.1-36178.21720000112.3R86 P140 K141 C146 I147 F149 E158 A161 L162 L165R86-V144 PolarHBondContact NH2-O 3.15Å; P140-V144 WeakPolarHBondContact O-CG2 3.33Å; P140-V144 PolarHBondContact O-N 3.41Å; K141-V144 PolarHBondContact O-N 3.25Å; V144-C146 PolarHBondContact O-N 3.15Å; V144-I147 PolarHBondContact O-N 2.97Å; V144-I147 VanDerWaalsContact O-N 3.13Å; V144-F149 HydrophobicContact CG1-CE2 3.76Å; V144-F149 HydrophobicContact CG1-CZ 3.97Å; V144-E158 HydrophobicContact CG1-CB 4.04Å; V144-E158 HydrophobicContact CG1-CG 4.29Å; V144-A161 HydrophobicContact CG2-CB 4.16Å; V144-L162 HydrophobicContact CG2-CB 4.23Å; V144-L165 HydrophobicContact CG2-CD1 3.88Å
145S98.7Very high98.8Very high42 Ų4238.6 Ų38.629%0.29419%0.193SC..Hα-helixtrans-68.8-12.4176.7760000113.5R86 K141 Q142 V143R86-S145 VanDerWaalsContact CB-O 3.29Å; R86-S145 WeakPolarHBondContact CB-O 3.5Å; R86-S145 PolarHBondContact N-O 3.18Å; K141-S145 WeakPolarHBondContact O-CB 3.44Å; K141-S145 PolarHBondContact O-N 2.84Å; Q142-S145 WeakPolarHBondContact CA-OG 3.34Å; Q142-S145 PolarHBondContact O-N 2.76Å; Q142-S145 PolarHBondContact O-OG 2.73Å; V143-S145 VanDerWaalsContact C-N 3.33Å; V143-S145 PolarHBondContact O-N 3.31Å
146C98.8Very high98.8Very high0 Ų038.5 Ų38.50%019%0.192CC..THydrogen-bonded Turntrans-85.4-13.6173.4-62.20000113.4F85 W120 Q142 V143 V144 N333F85-C146 HydrophobicContact CB-CB 4.35Å; F85-C146 HydrophobicContact CD2-CB 4.38Å; W120-C146 HydrophobicContact CH2-CB 4.4Å; W120-C146 HydrophobicContact CZ2-CB 4.18Å; Q142-C146 PolarHBondContact O-N 3.13Å; Q142-C146 PolarHBondContact O-SG 3.33Å; V143-C146 WeakPolarHBondContact O-CB 3.4Å; V143-C146 PolarHBondContact O-N 2.81Å; V143-C146 VanDerWaalsContact O-N 3.09Å; V144-C146 PolarHBondContact O-N 3.15Å; C146-N333 PolarHBondContact O-ND2 2.88Å
147I98.9Very high98.8Very high0 Ų040.3 Ų40.30%020%0.203CC..  trans-100.1133.8-171.4-59.7168000110.3R86 V144 F149 L336 A337 L340R86-I147 PolarHBondContact NE-O 2.76Å; R86-I147 PolarHBondContact NH2-O 3.25Å; V144-I147 PolarHBondContact O-N 2.97Å; V144-I147 VanDerWaalsContact O-N 3.13Å; I147-F149 HydrophobicContact CB-CD2 4.16Å; I147-F149 HydrophobicContact CB-CE2 3.57Å; I147-F149 HydrophobicContact CB-CZ 4.04Å; I147-F149 HydrophobicContact CD1-CZ 4.22Å; I147-F149 HydrophobicContact CG2-CD2 3.9Å; I147-F149 HydrophobicContact CG2-CE1 4.34Å; I147-F149 HydrophobicContact CG2-CE2 3.61Å; I147-F149 HydrophobicContact CG2-CG 4.38Å; I147-F149 HydrophobicContact CG2-CZ 3.85Å; I147-F149 WeakPolarHBondContact O-CD2 3.39Å; I147-L336 HydrophobicContact CD1-CB 3.79Å; I147-L336 HydrophobicContact CG1-CB 3.92Å; I147-L336 HydrophobicContact CG1-CD1 4.38Å; I147-A337 HydrophobicContact CG2-CB 3.69Å; I147-L340 HydrophobicContact CD1-CD1 3.63Å
148D98.9Very high98.8Very high7 Ų740.8 Ų40.84%0.03720%0.203CC..  trans-88.8107.8166.8-177.213.6000111.1R86 Y89 R90 R150 R307R86-D148 HydrophobicContact CG-CB 4.22Å; Y89-D148 HydrophobicContact CD1-CB 3.72Å; Y89-D148 HydrophobicContact CE1-CB 4.01Å; R90-D148 HydrophobicContact CG-CB 4.28Å; R90-D148 VanDerWaalsContact CG-OD2 3.3Å; R90-D148 WeakPolarHBondContact CG-OD2 3.13Å; D148-R150 PolarHBondContact O-N 3.49Å; D148-R150 VanDerWaalsContact OD1-CB 3.25Å; D148-R150 WeakPolarHBondContact OD1-CB 3.41Å; D148-R150 PolarHBondContact OD1-N 3.28Å; D148-R150 IonicContact OD2-NE 2.76Å; D148-R307 PolarHBondContact O-NE 2.7Å; D148-R307 IonicContact OD2-NH2 3.91Å; D148-R307 PolarHBondContact OD2-NH2 2.7Å
149F98.9Very high98.8Very high5 Ų546.6 Ų46.62%0.02223%0.231CC..  trans-80.3-0.5-179.3-71.6-95000114.2V144 I147 Y151 I152 T153 L156 E158 A161V144-F149 HydrophobicContact CG1-CE2 3.76Å; V144-F149 HydrophobicContact CG1-CZ 3.97Å; I147-F149 HydrophobicContact CB-CD2 4.16Å; I147-F149 HydrophobicContact CB-CE2 3.57Å; I147-F149 HydrophobicContact CB-CZ 4.04Å; I147-F149 HydrophobicContact CD1-CZ 4.22Å; I147-F149 HydrophobicContact CG2-CD2 3.9Å; I147-F149 HydrophobicContact CG2-CE1 4.34Å; I147-F149 HydrophobicContact CG2-CE2 3.61Å; I147-F149 HydrophobicContact CG2-CG 4.38Å; I147-F149 HydrophobicContact CG2-CZ 3.85Å; I147-F149 WeakPolarHBondContact O-CD2 3.39Å; F149-Y151 PolarHBondContact O-N 3.32Å; F149-I152 HydrophobicContact CB-CG1 4.29Å; F149-I152 HydrophobicContact CD1-CD1 3.95Å; F149-I152 HydrophobicContact CD1-CG1 4.24Å; F149-I152 WeakPolarHBondContact O-CG1 3.47Å; F149-I152 PolarHBondContact O-N 2.88Å; F149-T153 HydrophobicContact CB-CG2 3.9Å; F149-T153 PolarHBondContact O-N 3.16Å; F149-L156 WeakPolarHBondContact CD1-O 3.38Å; F149-L156 HydrophobicContact CE1-CD2 4.18Å; F149-L156 HydrophobicContact CE1-CG 4.27Å; F149-E158 HydrophobicContact CB-CG 4.48Å; F149-E158 HydrophobicContact CD1-CG 4.29Å; F149-E158 HydrophobicContact CD2-CG 3.57Å; F149-E158 HydrophobicContact CE1-CG 4.45Å; F149-E158 HydrophobicContact CE2-CG 3.75Å; F149-E158 HydrophobicContact CG-CG 3.85Å; F149-E158 HydrophobicContact CZ-CG 4.2Å; F149-A161 HydrophobicContact CE1-CB 3.74Å; F149-A161 HydrophobicContact CZ-CB 3.68Å
150R98.8Very high98.8Very high55 Ų5546.5 Ų46.521%0.20823%0.228CC..THydrogen-bonded Turntrans-53130.4176.6-170.8173.359.3177.40.9110.2S94 D148 I152 R307S94-R150 PolarHBondContact OG-NH1 3.19Å; S94-R150 PolarHBondContact OG-NH2 2.84Å; D148-R150 PolarHBondContact O-N 3.49Å; D148-R150 VanDerWaalsContact OD1-CB 3.25Å; D148-R150 WeakPolarHBondContact OD1-CB 3.41Å; D148-R150 PolarHBondContact OD1-N 3.28Å; D148-R150 IonicContact OD2-NE 2.76Å; R150-I152 VanDerWaalsContact C-N 3.3Å; R150-I152 PolarHBondContact O-N 3.37Å; R150-R307 PolarHBondContact O-NE 3.09Å
151Y98.8Very high98.8Very high113 Ų11346 Ų4644%0.44322%0.224SC..THydrogen-bonded Turntrans72.62.7-179.3-45.5-53.4000117.4F149 V308 K311F149-Y151 PolarHBondContact O-N 3.32Å; Y151-V308 HydrophobicContact CD2-CG2 4.14Å; Y151-V308 HydrophobicContact CG-CG2 4.25Å; Y151-K311 PolarHBondContact O-NZ 3.18Å
152I98.9Very high98.8Very high0 Ų041.4 Ų41.40%021%0.206CC..THydrogen-bonded Turntrans-120.9-4.1176.563.7165000114.2F149 R150 D154 V155 L156 R307 K311 A337 M341F149-I152 HydrophobicContact CB-CG1 4.29Å; F149-I152 HydrophobicContact CD1-CD1 3.95Å; F149-I152 HydrophobicContact CD1-CG1 4.24Å; F149-I152 WeakPolarHBondContact O-CG1 3.47Å; F149-I152 PolarHBondContact O-N 2.88Å; R150-I152 VanDerWaalsContact C-N 3.3Å; R150-I152 PolarHBondContact O-N 3.37Å; I152-D154 PolarHBondContact O-N 3.3Å; I152-D154 VanDerWaalsContact O-N 3.12Å; I152-V155 HydrophobicContact CB-CG2 4.44Å; I152-V155 CarbonylContact O-C 3.6Å; I152-V155 VanDerWaalsContact O-CG2 3.27Å; I152-V155 WeakPolarHBondContact O-CG2 3.27Å; I152-V155 PolarHBondContact O-N 2.81Å; I152-L156 PolarHBondContact O-N 2.79Å; I152-R307 HydrophobicContact CG2-CB 4.26Å; I152-R307 HydrophobicContact CG2-CG 3.84Å; I152-K311 HydrophobicContact CG2-CB 4.44Å; I152-K311 HydrophobicContact CG2-CD 4.39Å; I152-A337 HydrophobicContact CD1-CB 3.99Å; I152-M341 HydrophobicContact CB-SD 4.03Å; I152-M341 HydrophobicContact CD1-SD 4.29Å; I152-M341 HydrophobicContact CG2-CE 4.32Å; I152-M341 HydrophobicContact CG2-SD 3.92Å
153T98.9Very high98.8Very high84 Ų8439.3 Ų39.352%0.51520%0.204SC..THydrogen-bonded Turntrans-63.5-17.1-179.653.80000114.5F149 V155 L156F149-T153 HydrophobicContact CB-CG2 3.9Å; F149-T153 PolarHBondContact O-N 3.16Å; T153-V155 PolarHBondContact O-N 3.09Å; T153-L156 WeakPolarHBondContact CA-O 3.44Å
154D98.8Very high98.8Very high97 Ų9740 Ų4052%0.51921%0.208SC..THydrogen-bonded Turntrans-70.9-19.3171.759.3-53000112.9I152 K311I152-D154 PolarHBondContact O-N 3.3Å; I152-D154 VanDerWaalsContact O-N 3.12Å; D154-K311 VanDerWaalsContact CG-NZ 3.25Å; D154-K311 IonicContact OD1-NZ 3.1Å; D154-K311 PolarHBondContact OD1-NZ 3.32Å; D154-K311 IonicContact OD2-NZ 2.78Å; D154-K311 PolarHBondContact OD2-NZ 2.95Å
155V98.8Very high98.8Very high10 Ų1040.2 Ų40.26%0.06121%0.208CC..THydrogen-bonded Turntrans-122.2-20.5176.9-59.20000114.4I152 T153 K311 Q315 M341 K344 F345I152-V155 HydrophobicContact CB-CG2 4.44Å; I152-V155 CarbonylContact O-C 3.6Å; I152-V155 VanDerWaalsContact O-CG2 3.27Å; I152-V155 WeakPolarHBondContact O-CG2 3.27Å; I152-V155 PolarHBondContact O-N 2.81Å; T153-V155 PolarHBondContact O-N 3.09Å; V155-K311 HydrophobicContact CB-CD 4.41Å; V155-K311 HydrophobicContact CB-CG 4.33Å; V155-K311 HydrophobicContact CG1-CD 3.89Å; V155-K311 HydrophobicContact CG1-CG 3.83Å; V155-K311 HydrophobicContact CG2-CB 4.4Å; V155-K311 HydrophobicContact CG2-CD 3.67Å; V155-K311 HydrophobicContact CG2-CG 3.58Å; V155-Q315 HydrophobicContact CG1-CG 3.75Å; V155-M341 HydrophobicContact CG2-CG 4.35Å; V155-M341 HydrophobicContact CG2-SD 3.81Å; V155-K344 WeakPolarHBondContact O-CD 3.36Å; V155-K344 VanDerWaalsContact O-CE 3.24Å; V155-K344 WeakPolarHBondContact O-CE 3.33Å; V155-K344 PolarHBondContact O-NZ 2.9Å; V155-F345 HydrophobicContact CB-CE2 3.96Å; V155-F345 HydrophobicContact CB-CZ 4.08Å; V155-F345 HydrophobicContact CG1-CE2 4.43Å; V155-F345 HydrophobicContact CG1-CZ 4.07Å; V155-F345 HydrophobicContact CG2-CE2 4.42Å
156L98.9Very high98.8Very high0 Ų041.4 Ų41.40%021%0.213CC..  trans-151.7106.1-178.7-177.471.6000109.2F149 I152 T153 E160 A161 I164 L340 M341 K344F149-L156 WeakPolarHBondContact CD1-O 3.38Å; F149-L156 HydrophobicContact CE1-CD2 4.18Å; F149-L156 HydrophobicContact CE1-CG 4.27Å; I152-L156 PolarHBondContact O-N 2.79Å; T153-L156 WeakPolarHBondContact CA-O 3.44Å; L156-E160 WeakPolarHBondContact CA-OE2 3.42Å; L156-E160 HydrophobicContact CD1-CB 4.07Å; L156-A161 HydrophobicContact CD1-CB 4.32Å; L156-A161 HydrophobicContact CD2-CB 4.38Å; L156-A161 HydrophobicContact CG-CB 4.32Å; L156-I164 HydrophobicContact CD1-CD1 4.1Å; L156-L340 HydrophobicContact CD2-CB 3.62Å; L156-M341 HydrophobicContact CB-CG 3.98Å; L156-M341 HydrophobicContact CD2-CG 3.69Å; L156-M341 HydrophobicContact CG-CG 4.44Å; L156-K344 HydrophobicContact CD1-CD 3.98Å
157T98.9Very high98.8Very high40 Ų4047.4 Ų47.425%0.24525%0.245CC..  trans-82.2167.4172.683.50000111.6E159 E160 A161T157-E159 VanDerWaalsContact C-N 3.28Å; T157-E159 VanDerWaalsContact CB-OE2 3.24Å; T157-E159 WeakPolarHBondContact CB-OE2 3.36Å; T157-E159 PolarHBondContact O-N 2.97Å; T157-E159 PolarHBondContact OG1-N 2.77Å; T157-E159 PolarHBondContact OG1-OE2 3.32Å; T157-E160 PolarHBondContact N-OE2 2.94Å; T157-E160 PolarHBondContact O-N 3.25Å; T157-E160 PolarHBondContact OG1-N 2.74Å; T157-A161 WeakPolarHBondContact O-CB 3.22Å; T157-A161 PolarHBondContact O-N 3.34Å
158E98.8Very high98.8Very high73 Ų7347.8 Ų47.834%0.34125%0.249SC..Hα-helixtrans-61.2-38.6174.8-65.2-166-144.800111.9R86 V144 F149 A161 L162R86-E158 IonicContact CZ-OE1 2.66Å; R86-E158 IonicContact CZ-OE2 3.85Å; R86-E158 VanDerWaalsContact NH1-CD 3.3Å; R86-E158 IonicContact NH1-OE1 3.88Å; R86-E158 PolarHBondContact NH1-OE1 2.91Å; R86-E158 IonicContact NH1-OE2 3.96Å; R86-E158 PolarHBondContact NH1-OE2 3.13Å; R86-E158 IonicContact NH2-OE1 2.64Å; R86-E158 PolarHBondContact NH2-OE1 3.33Å; R86-E158 IonicContact NH2-OE2 3.25Å; R86-E158 PolarHBondContact NH2-OE2 3.33Å; V144-E158 HydrophobicContact CG1-CB 4.04Å; V144-E158 HydrophobicContact CG1-CG 4.29Å; F149-E158 HydrophobicContact CB-CG 4.48Å; F149-E158 HydrophobicContact CD1-CG 4.29Å; F149-E158 HydrophobicContact CD2-CG 3.57Å; F149-E158 HydrophobicContact CE1-CG 4.45Å; F149-E158 HydrophobicContact CE2-CG 3.75Å; F149-E158 HydrophobicContact CG-CG 3.85Å; F149-E158 HydrophobicContact CZ-CG 4.2Å; E158-A161 PolarHBondContact O-N 3.05Å; E158-L162 VanDerWaalsContact O-CB 3.31Å; E158-L162 WeakPolarHBondContact O-CB 3.35Å; E158-L162 PolarHBondContact O-N 3.34Å
159E98.8Very high98.7Very high138 Ų13852.9 Ų52.965%0.64527%0.271SS*.Hα-helixtrans-66.9-40.4179.1-58.974.7-16300111.5T157 L162 G163T157-E159 VanDerWaalsContact C-N 3.28Å; T157-E159 VanDerWaalsContact CB-OE2 3.24Å; T157-E159 WeakPolarHBondContact CB-OE2 3.36Å; T157-E159 PolarHBondContact O-N 2.97Å; T157-E159 PolarHBondContact OG1-N 2.77Å; T157-E159 PolarHBondContact OG1-OE2 3.32Å; E159-L162 PolarHBondContact O-N 2.7Å; E159-G163 PolarHBondContact O-N 2.79Å
160E98.9Very high98.6Very high77 Ų7760.6 Ų60.636%0.3631%0.307SS..Hα-helixtrans-67.7-44.4176.5-67.6176.513500111.3L156 T157 L162 G163 I164 K344L156-E160 WeakPolarHBondContact CA-OE2 3.42Å; L156-E160 HydrophobicContact CD1-CB 4.07Å; T157-E160 PolarHBondContact N-OE2 2.94Å; T157-E160 PolarHBondContact O-N 3.25Å; T157-E160 PolarHBondContact OG1-N 2.74Å; E160-L162 VanDerWaalsContact C-N 3.33Å; E160-L162 PolarHBondContact O-N 3.24Å; E160-G163 PolarHBondContact O-N 2.56Å; E160-G163 VanDerWaalsContact O-N 3.17Å; E160-I164 WeakPolarHBondContact O-CG1 3.48Å; E160-I164 PolarHBondContact O-N 2.95Å; E160-K344 IonicContact OE1-NZ 2.76Å; E160-K344 PolarHBondContact OE1-NZ 2.65Å; E160-K344 IonicContact OE2-NZ 3.57Å; E160-K344 PolarHBondContact OE2-NZ 3.33Å
161A98.9Very high98.6Very high0 Ų058.9 Ų58.90%031%0.306CS..Hα-helixtrans-57.4-46.3173.400000111.7V144 F149 L156 T157 E158 G163 I164 L165 L340V144-A161 HydrophobicContact CG2-CB 4.16Å; F149-A161 HydrophobicContact CE1-CB 3.74Å; F149-A161 HydrophobicContact CZ-CB 3.68Å; L156-A161 HydrophobicContact CD1-CB 4.32Å; L156-A161 HydrophobicContact CD2-CB 4.38Å; L156-A161 HydrophobicContact CG-CB 4.32Å; T157-A161 WeakPolarHBondContact O-CB 3.22Å; T157-A161 PolarHBondContact O-N 3.34Å; E158-A161 PolarHBondContact O-N 3.05Å; A161-G163 VanDerWaalsContact C-N 3.32Å; A161-G163 PolarHBondContact O-N 3.39Å; A161-I164 PolarHBondContact O-N 3.17Å; A161-L165 WeakPolarHBondContact O-CG 3.38Å; A161-L165 PolarHBondContact O-N 3.41Å; A161-L340 HydrophobicContact CB-CD1 3.9Å
162L98.9Very high98.6Very high46 Ų4656 Ų5624%0.24130%0.296CS..Hα-helixtrans-61.5-42175.3-179.760.5000111.6P140 K141 V144 E158 E159 E160 I164 L165 V166P140-L162 HydrophobicContact CB-CD1 3.53Å; K141-L162 HydrophobicContact CG-CD1 3.92Å; K141-L162 HydrophobicContact CG-CD2 4.23Å; V144-L162 HydrophobicContact CG2-CB 4.23Å; E158-L162 VanDerWaalsContact O-CB 3.31Å; E158-L162 WeakPolarHBondContact O-CB 3.35Å; E158-L162 PolarHBondContact O-N 3.34Å; E159-L162 PolarHBondContact O-N 2.7Å; E160-L162 VanDerWaalsContact C-N 3.33Å; E160-L162 PolarHBondContact O-N 3.24Å; L162-I164 PolarHBondContact O-N 3.46Å; L162-L165 PolarHBondContact O-N 3.44Å; L162-V166 HydrophobicContact CD1-CG2 4.03Å; L162-V166 HydrophobicContact CG-CG2 4.29Å; L162-V166 WeakPolarHBondContact O-CB 3.46Å; L162-V166 VanDerWaalsContact O-CG2 3.29Å; L162-V166 WeakPolarHBondContact O-CG2 3.34Å; L162-V166 PolarHBondContact O-N 2.81Å
163G98.9Very high98.6Very high28 Ų2861.2 Ų61.229%0.28932%0.32SS..Hα-helixtrans-58.4-45.2176.900000112.5E159 E160 A161 L165 V166 N167E159-G163 PolarHBondContact O-N 2.79Å; E160-G163 PolarHBondContact O-N 2.56Å; E160-G163 VanDerWaalsContact O-N 3.17Å; A161-G163 VanDerWaalsContact C-N 3.32Å; A161-G163 PolarHBondContact O-N 3.39Å; G163-L165 PolarHBondContact O-N 3Å; G163-V166 PolarHBondContact O-N 3.01Å; G163-N167 WeakPolarHBondContact O-CB 3.38Å; G163-N167 PolarHBondContact O-N 3.29Å; G163-N167 PolarHBondContact O-ND2 3.21Å
164I98.9Very high98.6Very high19 Ų1964 Ų6410%0.09733%0.327CS..Hα-helixtrans-57.2-51.8176-67.5164.2000110.6L156 E160 A161 L162 V166 N167 A168 L340 H343 K344 V373L156-I164 HydrophobicContact CD1-CD1 4.1Å; E160-I164 WeakPolarHBondContact O-CG1 3.48Å; E160-I164 PolarHBondContact O-N 2.95Å; A161-I164 PolarHBondContact O-N 3.17Å; L162-I164 PolarHBondContact O-N 3.46Å; I164-V166 PolarHBondContact O-N 2.91Å; I164-N167 PolarHBondContact O-N 3.03Å; I164-A168 PolarHBondContact O-N 3.15Å; I164-L340 HydrophobicContact CB-CD2 4.02Å; I164-L340 HydrophobicContact CD1-CD2 4.28Å; I164-L340 HydrophobicContact CG2-CD2 3.73Å; I164-H343 VanDerWaalsContact CG2-CD2 3.43Å; I164-H343 WeakPolarHBondContact CG2-CD2 3.23Å; I164-K344 HydrophobicContact CD1-CB 4.31Å; I164-V373 HydrophobicContact CG2-CG1 4.09Å
165L98.9Very high98.6Very high10 Ų1060.6 Ų60.65%0.05231%0.307CS..Hα-helixtrans-65.6-36.8-177.7-65.8169.8000112.9P140 V143 V144 A161 L162 G163 L340 F368 C372 V373P140-L165 HydrophobicContact CB-CB 3.79Å; P140-L165 HydrophobicContact CB-CD1 4.27Å; P140-L165 HydrophobicContact CG-CB 4.25Å; V143-L165 HydrophobicContact CB-CD1 3.88Å; V143-L165 HydrophobicContact CG1-CD1 3.76Å; V143-L165 HydrophobicContact CG1-CD2 4.48Å; V144-L165 HydrophobicContact CG2-CD1 3.88Å; A161-L165 WeakPolarHBondContact O-CG 3.38Å; A161-L165 PolarHBondContact O-N 3.41Å; L162-L165 PolarHBondContact O-N 3.44Å; G163-L165 PolarHBondContact O-N 3Å; L165-L340 HydrophobicContact CD2-CD2 4.1Å; L165-L340 HydrophobicContact CG-CD2 4.05Å; L165-F368 HydrophobicContact CD2-CZ 3.89Å; L165-C372 WeakPolarHBondContact CD2-O 3.41Å; L165-V373 HydrophobicContact CD2-CG2 3.96Å
166V98.8Very high98.6Very high67 Ų6760.6 Ų60.641%0.40631%0.307SS..Hα-helixtrans-68.7-43.2176.6169.90000110.8P140 L162 G163 I164 A168 K169P140-V166 HydrophobicContact CB-CG2 4.26Å; P140-V166 HydrophobicContact CG-CG2 4.31Å; L162-V166 HydrophobicContact CD1-CG2 4.03Å; L162-V166 HydrophobicContact CG-CG2 4.29Å; L162-V166 WeakPolarHBondContact O-CB 3.46Å; L162-V166 VanDerWaalsContact O-CG2 3.29Å; L162-V166 WeakPolarHBondContact O-CG2 3.34Å; L162-V166 PolarHBondContact O-N 2.81Å; G163-V166 PolarHBondContact O-N 3.01Å; I164-V166 PolarHBondContact O-N 2.91Å; V166-A168 VanDerWaalsContact C-N 3.28Å; V166-A168 PolarHBondContact O-N 2.95Å; V166-K169 VanDerWaalsContact O-CB 3.27Å; V166-K169 WeakPolarHBondContact O-CB 3.47Å; V166-K169 WeakPolarHBondContact O-CG 3.36Å; V166-K169 PolarHBondContact O-N 3.4Å
167N98.3Very high98.6Very high126 Ų12664.4 Ų64.467%0.67433%0.327SS*.Hα-helixtrans-61.9-38.7177.5-69.2-17.7000111.3G163 I164 K169 E170G163-N167 WeakPolarHBondContact O-CB 3.38Å; G163-N167 PolarHBondContact O-N 3.29Å; G163-N167 PolarHBondContact O-ND2 3.21Å; I164-N167 PolarHBondContact O-N 3.03Å; N167-K169 PolarHBondContact O-N 3.45Å; N167-K169 VanDerWaalsContact O-N 3.13Å; N167-E170 PolarHBondContact O-N 3.39Å
168A97.4Very high98.5Very high9 Ų964.7 Ų64.77%0.07433%0.327CS..THydrogen-bonded Turntrans-68-5.7175.900000114I164 V166 E170 R175 C372I164-A168 PolarHBondContact O-N 3.15Å; V166-A168 VanDerWaalsContact C-N 3.28Å; V166-A168 PolarHBondContact O-N 2.95Å; A168-E170 PolarHBondContact O-N 2.95Å; A168-R175 PolarHBondContact O-NH2 3.1Å; A168-C372 VanDerWaalsContact CB-C 3.42Å; A168-C372 WeakPolarHBondContact CB-O 3.37Å
169K97.4Very high98.5Very high113 Ų11361.3 Ų61.349%0.49131%0.311SS..THydrogen-bonded Turntrans-62.8-31.8171.8-71.4-173.7174.3-179.60112V166 N167 G171 K172V166-K169 VanDerWaalsContact O-CB 3.27Å; V166-K169 WeakPolarHBondContact O-CB 3.47Å; V166-K169 WeakPolarHBondContact O-CG 3.36Å; V166-K169 PolarHBondContact O-N 3.4Å; N167-K169 PolarHBondContact O-N 3.45Å; N167-K169 VanDerWaalsContact O-N 3.13Å; K169-G171 PolarHBondContact O-N 3.06Å; K169-K172 WeakPolarHBondContact O-CB 3.34Å; K169-K172 PolarHBondContact O-N 3.27Å
170E97.8Very high98.5Very high168 Ų16860 Ų6079%0.78531%0.306SS*.THydrogen-bonded Turntrans-64.4126.6174.6-168.9174.4179.700110.1N167 A168 K172 R175N167-E170 PolarHBondContact O-N 3.39Å; A168-E170 PolarHBondContact O-N 2.95Å; E170-K172 PolarHBondContact O-N 3.13Å; E170-R175 PolarHBondContact O-NH1 3.32Å; E170-R175 PolarHBondContact O-NH2 3.15Å
171G98.1Very high98.4Very high18 Ų1860.3 Ų60.319%0.18632%0.317CS..THydrogen-bonded Turntrans69.96.6-17800000116.4K169 Q173 Q174 R175K169-G171 PolarHBondContact O-N 3.06Å; G171-Q173 PolarHBondContact O-N 3.22Å; G171-Q174 PolarHBondContact O-N 3.27Å; G171-R175 VanDerWaalsContact C-NH1 3.34Å; G171-R175 PolarHBondContact O-N 3.33Å; G171-R175 VanDerWaalsContact O-N 3.09Å; G171-R175 PolarHBondContact O-NH1 3Å
172K98.5Very high98.4Very high52 Ų5266 Ų6623%0.22634%0.343CS..Hα-helixtrans-52.1-48.7179.7-178.9-169.9171.3-167.20113V136 K169 E170 Q174 R175 E176 I371V136-K172 WeakPolarHBondContact O-CE 3.31Å; V136-K172 PolarHBondContact O-NZ 3.37Å; K169-K172 WeakPolarHBondContact O-CB 3.34Å; K169-K172 PolarHBondContact O-N 3.27Å; E170-K172 PolarHBondContact O-N 3.13Å; K172-Q174 VanDerWaalsContact C-N 3.34Å; K172-Q174 PolarHBondContact O-N 3.28Å; K172-R175 PolarHBondContact O-N 3.48Å; K172-E176 PolarHBondContact O-N 2.84Å; K172-I371 HydrophobicContact CG-CG2 3.73Å
173Q98.6Very high98.3Very high110 Ų11063.9 Ų63.951%0.51433%0.333SS..Hα-helixtrans-62-41.9-179-172.662.15300111.9G171 R175 E176 D177G171-Q173 PolarHBondContact O-N 3.22Å; Q173-R175 VanDerWaalsContact C-N 3.31Å; Q173-R175 PolarHBondContact O-N 3.05Å; Q173-E176 PolarHBondContact O-N 2.88Å; Q173-D177 PolarHBondContact NE2-OD1 2.93Å; Q173-D177 PolarHBondContact O-N 3.44Å
174Q98.7Very high98.3Very high143 Ų14362.6 Ų62.667%0.66832%0.319SS*.Hα-helixtrans-64.9-38.2179.6-65.1139.6-100111.5G171 K172 L178G171-Q174 PolarHBondContact O-N 3.27Å; K172-Q174 VanDerWaalsContact C-N 3.34Å; K172-Q174 PolarHBondContact O-N 3.28Å; Q174-L178 WeakPolarHBondContact O-CB 3.44Å; Q174-L178 PolarHBondContact O-N 3.16Å
175R98.8Very high98.3Very high26 Ų2662.1 Ų62.110%0.09832%0.317CS..Hα-helixtrans-68.4-39.8175-69.4-164.7-62.1-78.1-4.2112.1A168 E170 G171 K172 Q173 L178 M179 Y370 I371A168-R175 PolarHBondContact O-NH2 3.1Å; E170-R175 PolarHBondContact O-NH1 3.32Å; E170-R175 PolarHBondContact O-NH2 3.15Å; G171-R175 VanDerWaalsContact C-NH1 3.34Å; G171-R175 PolarHBondContact O-N 3.33Å; G171-R175 VanDerWaalsContact O-N 3.09Å; G171-R175 PolarHBondContact O-NH1 3Å; K172-R175 PolarHBondContact O-N 3.48Å; Q173-R175 VanDerWaalsContact C-N 3.31Å; Q173-R175 PolarHBondContact O-N 3.05Å; R175-L178 WeakPolarHBondContact O-CB 3.2Å; R175-L178 PolarHBondContact O-N 3.22Å; R175-M179 WeakPolarHBondContact O-CG 3.35Å; R175-M179 PolarHBondContact O-N 2.9Å; R175-Y370 HydrophobicContact CB-CD1 4.14Å; R175-Y370 HydrophobicContact CB-CE1 3.53Å; R175-Y370 WeakPolarHBondContact CD-O 3.35Å; R175-Y370 HydrophobicContact CG-CE1 3.81Å; R175-Y370 HydrophobicContact CG-CE2 4.47Å; R175-Y370 PolarHBondContact NE-O 3.23Å; R175-Y370 VanDerWaalsContact NE-O 3.08Å; R175-I371 HydrophobicContact CB-CG1 4.43Å; R175-I371 PolarHBondContact NE-O 3.22Å; R175-I371 PolarHBondContact NH2-O 3.08Å
176E98.8Very high98.3Very high10 Ų1061.6 Ų61.65%0.04732%0.315CS..Hα-helixtrans-61.8-48.9173.6-174.1173.8162.400111.3W132 K133 V136 K172 Q173 L178 M179 M180 I371W132-E176 HydrophobicContact CH2-CG 4.1Å; W132-E176 HydrophobicContact CZ3-CG 3.99Å; K133-E176 WeakPolarHBondContact CD-OE1 3.42Å; K133-E176 WeakPolarHBondContact CE-OE1 3.42Å; K133-E176 IonicContact NZ-OE1 2.91Å; K133-E176 PolarHBondContact NZ-OE1 3.22Å; K133-E176 IonicContact NZ-OE2 2.77Å; K133-E176 PolarHBondContact NZ-OE2 3.12Å; V136-E176 WeakPolarHBondContact CG1-OE2 3.39Å; K172-E176 PolarHBondContact O-N 2.84Å; Q173-E176 PolarHBondContact O-N 2.88Å; E176-L178 VanDerWaalsContact C-N 3.26Å; E176-L178 PolarHBondContact O-N 3.41Å; E176-M179 PolarHBondContact O-N 3.48Å; E176-M179 VanDerWaalsContact O-N 3.12Å; E176-M180 HydrophobicContact CG-SD 4.17Å; E176-M180 WeakPolarHBondContact O-CG 3.43Å; E176-M180 PolarHBondContact O-N 2.8Å; E176-I371 HydrophobicContact CB-CD1 4.24Å; E176-I371 HydrophobicContact CB-CG2 4.3Å; E176-I371 HydrophobicContact CG-CD1 4.34Å
177D98.7Very high98.3Very high79 Ų7958.4 Ų58.442%0.42230%0.295SS..Hα-helixtrans-59.8-37.3176.9-62.6-19.3000111.6Q173 M180 S181Q173-D177 PolarHBondContact NE2-OD1 2.93Å; Q173-D177 PolarHBondContact O-N 3.44Å; D177-M180 PolarHBondContact O-N 2.96Å; D177-S181 WeakPolarHBondContact O-CB 3.15Å; D177-S181 PolarHBondContact O-N 3.45Å; D177-S181 PolarHBondContact O-OG 2.82Å
178L98.6Very high98.2Very high47 Ų4752.7 Ų52.725%0.24627%0.265CS..Hα-helixtrans-63.4-47.9174.2-173.672.2000111.4Q174 R175 E176 M180 S181 Q182 Y370Q174-L178 WeakPolarHBondContact O-CB 3.44Å; Q174-L178 PolarHBondContact O-N 3.16Å; R175-L178 WeakPolarHBondContact O-CB 3.2Å; R175-L178 PolarHBondContact O-N 3.22Å; E176-L178 VanDerWaalsContact C-N 3.26Å; E176-L178 PolarHBondContact O-N 3.41Å; L178-M180 VanDerWaalsContact C-N 3.32Å; L178-M180 PolarHBondContact O-N 3.34Å; L178-S181 PolarHBondContact O-N 3.07Å; L178-S181 PolarHBondContact O-OG 3.48Å; L178-S181 VanDerWaalsContact O-OG 3.09Å; L178-Q182 VanDerWaalsContact CD1-CD 3.41Å; L178-Q182 HydrophobicContact CD1-CG 4Å; L178-Q182 VanDerWaalsContact CD1-NE2 3.29Å; L178-Q182 PolarHBondContact O-N 2.87Å; L178-Y370 HydrophobicContact CD2-CE1 4.25Å; L178-Y370 WeakPolarHBondContact CD2-OH 3.15Å
179M98.6Very high98Very high2 Ų252.3 Ų52.31%0.0126%0.262CS..Hα-helixtrans-65.3-36.9178.9-68.6-60.596.400112R175 E176 S181 G183 Y184 L367 Y370 I371 L377 T405R175-M179 WeakPolarHBondContact O-CG 3.35Å; R175-M179 PolarHBondContact O-N 2.9Å; E176-M179 PolarHBondContact O-N 3.48Å; E176-M179 VanDerWaalsContact O-N 3.12Å; M179-S181 VanDerWaalsContact C-N 3.28Å; M179-S181 PolarHBondContact O-N 3.39Å; M179-G183 WeakPolarHBondContact CE-O 3.27Å; M179-G183 VanDerWaalsContact O-CA 3.24Å; M179-G183 WeakPolarHBondContact O-CA 3.49Å; M179-G183 PolarHBondContact O-N 3.02Å; M179-Y184 HydrophobicContact SD-CD2 3.8Å; M179-Y184 HydrophobicContact SD-CG 4.41Å; M179-L367 HydrophobicContact CB-CD2 3.85Å; M179-L367 HydrophobicContact CG-CD2 3.86Å; M179-L367 HydrophobicContact SD-CD2 3.86Å; M179-Y370 HydrophobicContact CE-CD1 3.74Å; M179-Y370 HydrophobicContact CE-CE1 3.5Å; M179-Y370 HydrophobicContact CG-CD1 3.5Å; M179-Y370 VanDerWaalsContact CG-CD1 3.5Å; M179-Y370 HydrophobicContact CG-CE1 3.82Å; M179-Y370 HydrophobicContact SD-CD1 3.63Å; M179-Y370 HydrophobicContact SD-CE1 4.02Å; M179-Y370 HydrophobicContact SD-CG 4.4Å; M179-I371 HydrophobicContact CB-CD1 4.36Å; M179-I371 HydrophobicContact CG-CD1 4.16Å; M179-I371 HydrophobicContact CG-CG1 4.12Å; M179-L377 HydrophobicContact CE-CD1 4.16Å; M179-T405 HydrophobicContact CB-CG2 3.97Å; M179-T405 WeakPolarHBondContact O-CG2 3.18Å
180M98.1Very high97Very high110 Ų11048 Ų4854%0.54225%0.246SC..Hα-helixtrans-67.8-27.7175.7-70.3-178.769.700113.3W132 E176 D177 L178W132-M180 HydrophobicContact CH2-CG 4.32Å; E176-M180 HydrophobicContact CG-SD 4.17Å; E176-M180 WeakPolarHBondContact O-CG 3.43Å; E176-M180 PolarHBondContact O-N 2.8Å; D177-M180 PolarHBondContact O-N 2.96Å; L178-M180 VanDerWaalsContact C-N 3.32Å; L178-M180 PolarHBondContact O-N 3.34Å
181S97.8Very high96Very high84 Ų8440.1 Ų40.159%0.58721%0.21SC*.Hα-helixtrans-95.8-36-178.157.10000114.3D177 L178 M179D177-S181 WeakPolarHBondContact O-CB 3.15Å; D177-S181 PolarHBondContact O-N 3.45Å; D177-S181 PolarHBondContact O-OG 2.82Å; L178-S181 PolarHBondContact O-N 3.07Å; L178-S181 PolarHBondContact O-OG 3.48Å; L178-S181 VanDerWaalsContact O-OG 3.09Å; M179-S181 VanDerWaalsContact C-N 3.28Å; M179-S181 PolarHBondContact O-N 3.39Å
182Q97.3Very high94.7Very high119 Ų11939.3 Ų39.356%0.55620%0.201SC*.Hα-helixtrans-115-19.9-173.9-59.6-171.818.500113.8L178 H402L178-Q182 VanDerWaalsContact CD1-CD 3.41Å; L178-Q182 HydrophobicContact CD1-CG 4Å; L178-Q182 VanDerWaalsContact CD1-NE2 3.29Å; L178-Q182 PolarHBondContact O-N 2.87Å; Q182-H402 VanDerWaalsContact O-CB 3.27Å; Q182-H402 WeakPolarHBondContact O-CB 3.24Å
183G98.4Very high93.8Very high2 Ų237.1 Ų37.12%0.02119%0.192CC..  trans74.3-179.5-173.200000113.9M179 Y403M179-G183 WeakPolarHBondContact CE-O 3.27Å; M179-G183 VanDerWaalsContact O-CA 3.24Å; M179-G183 WeakPolarHBondContact O-CA 3.49Å; M179-G183 PolarHBondContact O-N 3.02Å; G183-Y403 CarbonylContact C-O 3.6Å; G183-Y403 WeakPolarHBondContact CA-O 3.44Å
184Y98.8Very high92.8Very high1 Ų133.4 Ų33.40%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-95.9130.8-180-163-77.5000111.1M179 A186 I366 L367 L377 R380 C382 H402 Y403M179-Y184 HydrophobicContact SD-CD2 3.8Å; M179-Y184 HydrophobicContact SD-CG 4.41Å; Y184-A186 PolarHBondContact O-N 3.01Å; Y184-I366 HydrophobicContact CD1-CG1 4.41Å; Y184-I366 HydrophobicContact CD1-CG2 4.05Å; Y184-I366 HydrophobicContact CD2-CG1 4.35Å; Y184-I366 HydrophobicContact CD2-CG2 4.07Å; Y184-I366 HydrophobicContact CE1-CG1 3.7Å; Y184-I366 HydrophobicContact CE1-CG2 4.18Å; Y184-I366 HydrophobicContact CE2-CB 4.32Å; Y184-I366 HydrophobicContact CE2-CG1 3.58Å; Y184-I366 HydrophobicContact CE2-CG2 4.14Å; Y184-I366 WeakPolarHBondContact CE2-O 3.37Å; Y184-I366 HydrophobicContact CG-CG2 4.04Å; Y184-I366 WeakPolarHBondContact OH-CG1 3.27Å; Y184-L367 HydrophobicContact CD2-CD2 4.42Å; Y184-L377 HydrophobicContact CD2-CD2 4.29Å; Y184-L377 HydrophobicContact CE2-CD2 3.72Å; Y184-R380 WeakPolarHBondContact OH-CB 3.46Å; Y184-C382 HydrophobicContact CD1-CB 4.1Å; Y184-C382 HydrophobicContact CE1-CB 4.37Å; Y184-H402 CarbonylContact O-C 3.5Å; Y184-H402 WeakPolarHBondContact O-CA 3.16Å; Y184-H402 WeakPolarHBondContact O-CB 3.3Å; Y184-Y403 PolarHBondContact N-O 2.81Å; Y184-Y403 PolarHBondContact O-N 2.95Å
185P98.6Very high91.7Very high8 Ų828.9 Ų28.95%0.05217%0.167CC..EExtended strand (participates in β ladder)trans-61.6134.4-176.325.4-35.5000112.7L377 M381 C382 H402P185-L377 HydrophobicContact CG-CD1 4.43Å; P185-L377 HydrophobicContact CG-CD2 4.11Å; P185-M381 CarbonylContact O-C 3.52Å; P185-M381 VanDerWaalsContact O-CA 3.28Å; P185-M381 WeakPolarHBondContact O-CA 3.49Å; P185-C382 PolarHBondContact O-N 3.18Å; P185-H402 VanDerWaalsContact CA-CD2 3.48Å; P185-H402 WeakPolarHBondContact CA-CD2 3.47Å
186A98.5Very high91Very high0 Ų028.9 Ų28.90%017%0.167CC..EExtended strand (participates in β ladder)trans-113.7168.7-18000000113Y184 W213 R215 C382 A401 Y403Y184-A186 PolarHBondContact O-N 3.01Å; A186-W213 HydrophobicContact CB-CH2 3.88Å; A186-W213 HydrophobicContact CB-CZ3 3.61Å; A186-R215 PolarHBondContact O-NH1 3.47Å; A186-C382 CarbonylContact C-O 3.37Å; A186-C382 WeakPolarHBondContact CA-O 3.43Å; A186-A401 WeakPolarHBondContact CB-O 3.44Å; A186-A401 PolarHBondContact N-O 3.29Å; A186-Y403 HydrophobicContact CB-CD2 3.77Å; A186-Y403 HydrophobicContact CB-CE2 3.76Å
187Y98.3Very high90.6Very high0 Ų031 Ų310%018%0.183CC..EExtended strand (participates in β ladder)trans-132.2149.9164.272.5-90.5000111.7T189 R215 K217 M245 W271 M381 C382 E383 Y384Y187-T189 WeakPolarHBondContact CE2-OG1 3.43Å; Y187-R215 VanDerWaalsContact CB-CB 3.45Å; Y187-K217 HydrophobicContact CD2-CB 3.95Å; Y187-K217 HydrophobicContact CE2-CB 3.73Å; Y187-K217 HydrophobicContact CE2-CD 3.8Å; Y187-K217 HydrophobicContact CE2-CG 4.37Å; Y187-K217 PolarHBondContact OH-NZ 3.36Å; Y187-K217 VanDerWaalsContact OH-NZ 3.11Å; Y187-M245 HydrophobicContact CD1-CE 3.9Å; Y187-M245 HydrophobicContact CD2-CE 3.32Å; Y187-M245 HydrophobicContact CE1-CE 4.37Å; Y187-M245 HydrophobicContact CE2-CE 3.86Å; Y187-M245 HydrophobicContact CG-CE 3.31Å; Y187-W271 HydrophobicContact CD1-CH2 4.48Å; Y187-W271 HydrophobicContact CE1-CH2 4.06Å; Y187-W271 HydrophobicContact CE1-CZ2 4.32Å; Y187-W271 HydrophobicContact CE2-CZ2 4.44Å; Y187-W271 AromaticContact CZ-CZ2 4Å; Y187-M381 HydrophobicContact CD1-CB 4.08Å; Y187-M381 HydrophobicContact CD1-CG 3.6Å; Y187-M381 HydrophobicContact CD1-SD 4.19Å; Y187-M381 HydrophobicContact CE1-CG 4.15Å; Y187-M381 HydrophobicContact CG-CG 4.49Å; Y187-C382 WeakPolarHBondContact CD1-O 3.35Å; Y187-C382 PolarHBondContact N-O 3.09Å; Y187-E383 HydrophobicContact CD1-CB 4.42Å; Y187-E383 HydrophobicContact CE1-CB 3.63Å; Y187-E383 HydrophobicContact CE1-CG 4.37Å; Y187-E383 HydrophobicContact CE2-CB 4Å; Y187-E383 HydrophobicContact CE2-CG 3.81Å; Y187-E383 WeakPolarHBondContact OH-CB 3.27Å; Y187-Y384 PolarHBondContact O-N 3.18Å
188A95.9Very high90.3Very high5 Ų530.1 Ų30.14%0.04118%0.178CC..EExtended strand (participates in β ladder)trans-96.2128.1-176.500000111.9W213 R215 F216 K217A188-W213 HydrophobicContact CB-CD2 3.75Å; A188-W213 HydrophobicContact CB-CE3 3.61Å; A188-W213 HydrophobicContact CB-CG 4.25Å; A188-W213 HydrophobicContact CB-CH2 4.5Å; A188-W213 HydrophobicContact CB-CZ3 4.01Å; A188-R215 PolarHBondContact N-O 3.36Å; A188-F216 WeakPolarHBondContact O-CA 3.37Å; A188-K217 PolarHBondContact O-N 2.84Å
189T93.1Very high90.1Very high1 Ų134.6 Ų34.61%0.00620%0.198CC..  trans-102.8-20.9170.6-53.80000112Y187 C191 A192 W193 K217 E383 Y384 V385Y187-T189 WeakPolarHBondContact CE2-OG1 3.43Å; T189-C191 PolarHBondContact O-N 2.94Å; T189-A192 PolarHBondContact O-N 3.3Å; T189-W193 HydrophobicContact CG2-CH2 3.58Å; T189-W193 HydrophobicContact CG2-CZ2 4.09Å; T189-W193 HydrophobicContact CG2-CZ3 3.91Å; T189-K217 HydrophobicContact CG2-CB 4.32Å; T189-K217 WeakPolarHBondContact OG1-CE 3.35Å; T189-E383 WeakPolarHBondContact CB-OE1 3.45Å; T189-E383 PolarHBondContact OG1-OE1 3.47Å; T189-Y384 PolarHBondContact N-O 3.33Å; T189-Y384 VanDerWaalsContact N-O 3.08Å; T189-V385 HydrophobicContact CG2-CG2 4.45Å
190S77.6Confident89.7Confident22 Ų2238.7 Ų38.715%0.15422%0.217CC..THydrogen-bonded Turntrans-59.6-15.2-176.8-49.80000115.8V385 D386S190-V385 WeakPolarHBondContact OG-CA 3.47Å; S190-D386 PolarHBondContact OG-N 3.34Å
191C75.8Confident89.4Confident4 Ų433.5 Ų33.53%0.02719%0.191CC..THydrogen-bonded Turntrans-86-8.8-171.765.50000114.7T189 L201 L204T189-C191 PolarHBondContact O-N 2.94Å; C191-L201 VanDerWaalsContact O-CD2 3.27Å; C191-L201 WeakPolarHBondContact O-CD2 3.47Å; C191-L204 HydrophobicContact CB-CB 4.11Å
192A71.3Confident89.2Confident1 Ų134 Ų341%0.00818%0.183CC..  trans-152.543.6-165.800000115.7T189 L201 V218 K219 I234T189-A192 PolarHBondContact O-N 3.3Å; A192-L201 HydrophobicContact CB-CD2 4.22Å; A192-V218 HydrophobicContact CB-CB 3.69Å; A192-V218 HydrophobicContact CB-CG2 3.68Å; A192-K219 PolarHBondContact O-N 3.47Å; A192-I234 HydrophobicContact CB-CD1 3.57Å
193W79.1Confident89Confident5 Ų532.8 Ų32.82%0.01918%0.177CC..  trans-62.8152.5165.5-53.2114.2000111T189 G195 Y196 K219 V385T189-W193 HydrophobicContact CG2-CH2 3.58Å; T189-W193 HydrophobicContact CG2-CZ2 4.09Å; T189-W193 HydrophobicContact CG2-CZ3 3.91Å; W193-G195 VanDerWaalsContact C-N 3.3Å; W193-G195 PolarHBondContact O-N 2.88Å; W193-Y196 HydrophobicContact CB-CD2 4.31Å; W193-Y196 HydrophobicContact CB-CE1 4.38Å; W193-Y196 HydrophobicContact CB-CE2 4.18Å; W193-Y196 AromaticContact CD1-CE2 3.46Å; W193-Y196 VanDerWaalsContact CD1-CE2 3.46Å; W193-Y196 AromaticContact CD1-CZ 3.45Å; W193-Y196 VanDerWaalsContact CD1-CZ 3.45Å; W193-Y196 VanDerWaalsContact CD1-OH 3.3Å; W193-Y196 HydrophobicContact CG-CE2 4.2Å; W193-Y196 PolarHBondContact O-N 3.02Å; W193-K219 HydrophobicContact CE3-CG 3.95Å; W193-K219 HydrophobicContact CZ3-CD 4.46Å; W193-K219 HydrophobicContact CZ3-CG 4.33Å; W193-V385 HydrophobicContact CH2-CG1 4.41Å; W193-V385 HydrophobicContact CH2-CG2 3.99Å; W193-V385 HydrophobicContact CZ2-CG1 3.75Å; W193-V385 HydrophobicContact CZ2-CG2 3.92Å
194L78.6Confident88.8Confident33 Ų3335.5 Ų35.517%0.17319%0.191CC..THydrogen-bonded Turntrans-64.9-31.8-172.3-73.8-174.8000113.6S24 D25 A26 Y196 K219 A222S24-L194 PolarHBondContact O-N 3.07Å; D25-L194 VanDerWaalsContact C-CD1 3.43Å; A26-L194 VanDerWaalsContact CA-CD1 3.5Å; A26-L194 HydrophobicContact CB-CD1 3.79Å; L194-Y196 PolarHBondContact O-N 3.15Å; L194-K219 HydrophobicContact CD2-CB 3.95Å; L194-K219 WeakPolarHBondContact CD2-O 3.38Å; L194-K219 HydrophobicContact CG-CB 3.81Å; L194-A222 HydrophobicContact CD1-CB 3.98Å
195G75.1Confident88.6Confident48 Ų4835.5 Ų35.550%0.49519%0.191SC..THydrogen-bonded Turntrans-72.1-2.7-176.800000115.9W193W193-G195 VanDerWaalsContact C-N 3.3Å; W193-G195 PolarHBondContact O-N 2.88Å
196Y84.7Confident88.5Confident25 Ų2536.9 Ų36.910%0.09820%0.203CC..  trans-88.5136.7-170.1-68.6-5.9000113.9H22 W193 L194 L201 L204H22-Y196 PolarHBondContact CE1-OH 3.12Å; H22-Y196 PolarHBondContact ND1-OH 3.22Å; W193-Y196 HydrophobicContact CB-CD2 4.31Å; W193-Y196 HydrophobicContact CB-CE1 4.38Å; W193-Y196 HydrophobicContact CB-CE2 4.18Å; W193-Y196 AromaticContact CD1-CE2 3.46Å; W193-Y196 VanDerWaalsContact CD1-CE2 3.46Å; W193-Y196 AromaticContact CD1-CZ 3.45Å; W193-Y196 VanDerWaalsContact CD1-CZ 3.45Å; W193-Y196 VanDerWaalsContact CD1-OH 3.3Å; W193-Y196 HydrophobicContact CG-CE2 4.2Å; W193-Y196 PolarHBondContact O-N 3.02Å; L194-Y196 PolarHBondContact O-N 3.15Å; Y196-L201 HydrophobicContact CD2-CD2 4.43Å; Y196-L204 HydrophobicContact CD2-CD1 3.54Å; Y196-L204 HydrophobicContact CE2-CD1 3.42Å; Y196-L204 VanDerWaalsContact CE2-CD1 3.42Å
197S89.5Confident88.3Confident54 Ų5439.6 Ų39.638%0.37822%0.217SC..  trans-70.1159.6173.166.40000112.6H199 Q200 L201S197-H199 PolarHBondContact O-N 3.13Å; S197-H199 VanDerWaalsContact O-N 3.15Å; S197-Q200 WeakPolarHBondContact O-CB 3.49Å; S197-Q200 PolarHBondContact O-N 3.32Å; S197-Q200 WeakPolarHBondContact OG-CG 3.37Å; S197-Q200 PolarHBondContact OG-N 3.4Å; S197-Q200 PolarHBondContact OG-OE1 3.44Å; S197-L201 WeakPolarHBondContact O-CG 3.22Å; S197-L201 PolarHBondContact O-N 3.15Å
198D93.2Very high88.1Confident62 Ų6240.1 Ų40.133%0.33222%0.222SC..Hα-helixtrans-56.1-35177.3-64.936.8000112.8K202 R229 L233D198-K202 WeakPolarHBondContact O-CB 3.47Å; D198-K202 VanDerWaalsContact O-CG 3.25Å; D198-K202 WeakPolarHBondContact O-CG 3.42Å; D198-K202 PolarHBondContact O-N 3.34Å; D198-R229 IonicContact OD1-CZ 3.33Å; D198-R229 IonicContact OD1-NH1 3.88Å; D198-R229 PolarHBondContact OD1-NH1 3.39Å; D198-R229 IonicContact OD1-NH2 3.84Å; D198-R229 IonicContact OD2-NH1 3.68Å; D198-R229 PolarHBondContact OD2-NH1 3.43Å; D198-L233 HydrophobicContact CB-CD2 3.93Å
199H93.3Very high88.1Confident141 Ų14142.7 Ų42.765%0.65324%0.235SC*.Hα-helixtrans-64.9-47.8176.3-179.3-84.1000110.8S197 K202 Q203S197-H199 PolarHBondContact O-N 3.13Å; S197-H199 VanDerWaalsContact O-N 3.15Å; H199-K202 PolarHBondContact O-N 3.28Å; H199-Q203 WeakPolarHBondContact O-CB 3.18Å; H199-Q203 PolarHBondContact O-N 2.88Å
200Q90.5Very high88.2Confident87 Ų8750.2 Ų50.241%0.40727%0.27SS..Hα-helixtrans-62.3-45.5176.6-72.2165.1-60.100111.4S197 K202 Q203 L204S197-Q200 WeakPolarHBondContact O-CB 3.49Å; S197-Q200 PolarHBondContact O-N 3.32Å; S197-Q200 WeakPolarHBondContact OG-CG 3.37Å; S197-Q200 PolarHBondContact OG-N 3.4Å; S197-Q200 PolarHBondContact OG-OE1 3.44Å; Q200-K202 PolarHBondContact O-N 2.73Å; Q200-Q203 PolarHBondContact O-N 3.21Å; Q200-L204 WeakPolarHBondContact O-CB 3.36Å; Q200-L204 VanDerWaalsContact O-CG 3.27Å; Q200-L204 WeakPolarHBondContact O-CG 3.46Å; Q200-L204 PolarHBondContact O-N 3.03Å
201L91.7Very high88.9Confident1 Ų154.2 Ų54.21%0.00529%0.289CS..Hα-helixtrans-57.9-46.8177.7-67.2176.3000111.8C191 A192 Y196 S197 C205 R230 L233C191-L201 VanDerWaalsContact O-CD2 3.27Å; C191-L201 WeakPolarHBondContact O-CD2 3.47Å; A192-L201 HydrophobicContact CB-CD2 4.22Å; Y196-L201 HydrophobicContact CD2-CD2 4.43Å; S197-L201 WeakPolarHBondContact O-CG 3.22Å; S197-L201 PolarHBondContact O-N 3.15Å; L201-C205 WeakPolarHBondContact O-CB 3.43Å; L201-C205 PolarHBondContact O-N 3.29Å; L201-C205 PolarHBondContact O-SG 3.33Å; L201-R230 HydrophobicContact CD1-CB 4.16Å; L201-R230 HydrophobicContact CD1-CG 3.76Å; L201-L233 HydrophobicContact CB-CD2 4.32Å; L201-L233 HydrophobicContact CD1-CD2 4.4Å
202K93.9Very high89.9Confident96 Ų9655.6 Ų55.642%0.41730%0.304SS..Hα-helixtrans-61.1-46.5177.5-74.1172-177.5176.20111.7D198 H199 Q200 C205 A206 L233 M237D198-K202 WeakPolarHBondContact O-CB 3.47Å; D198-K202 VanDerWaalsContact O-CG 3.25Å; D198-K202 WeakPolarHBondContact O-CG 3.42Å; D198-K202 PolarHBondContact O-N 3.34Å; H199-K202 PolarHBondContact O-N 3.28Å; Q200-K202 PolarHBondContact O-N 2.73Å; K202-C205 PolarHBondContact O-N 3.42Å; K202-A206 WeakPolarHBondContact O-CB 3.31Å; K202-A206 PolarHBondContact O-N 2.84Å; K202-L233 HydrophobicContact CD-CD1 4.23Å; K202-L233 HydrophobicContact CG-CD1 3.92Å; K202-L233 HydrophobicContact CG-CD2 4.19Å; K202-L233 HydrophobicContact CG-CG 4.32Å; K202-M237 HydrophobicContact CB-CE 4.22Å; K202-M237 HydrophobicContact CB-SD 4.33Å; K202-M237 HydrophobicContact CG-CE 4.49Å; K202-M237 HydrophobicContact CG-CG 4.28Å; K202-M237 HydrophobicContact CG-SD 3.96Å; K202-M237 WeakPolarHBondContact O-CE 3.41Å
203Q94.1Very high91.1Very high93 Ų9356.6 Ų56.644%0.43531%0.308SS..Hα-helixtrans-62.1-50.7-179.7-173.460.248.200110.8H199 Q200 C205 A206 D207H199-Q203 WeakPolarHBondContact O-CB 3.18Å; H199-Q203 PolarHBondContact O-N 2.88Å; Q200-Q203 PolarHBondContact O-N 3.21Å; Q203-C205 PolarHBondContact O-N 3.44Å; Q203-A206 WeakPolarHBondContact O-CB 3.5Å; Q203-A206 PolarHBondContact O-N 2.88Å; Q203-A206 VanDerWaalsContact O-N 3.1Å; Q203-D207 VanDerWaalsContact NE2-CG 3.27Å; Q203-D207 PolarHBondContact NE2-OD1 3.02Å; Q203-D207 PolarHBondContact NE2-OD2 2.86Å; Q203-D207 VanDerWaalsContact O-CG 3.25Å; Q203-D207 PolarHBondContact O-N 3.15Å
204L93.7Very high92Very high59 Ų5959.1 Ų59.131%0.30932%0.324SS..Hα-helixtrans-62.2-39.7179.8-68.6169.5000112.6C191 Y196 Q200 A208C191-L204 HydrophobicContact CB-CB 4.11Å; Y196-L204 HydrophobicContact CD2-CD1 3.54Å; Y196-L204 HydrophobicContact CE2-CD1 3.42Å; Y196-L204 VanDerWaalsContact CE2-CD1 3.42Å; Q200-L204 WeakPolarHBondContact O-CB 3.36Å; Q200-L204 VanDerWaalsContact O-CG 3.27Å; Q200-L204 WeakPolarHBondContact O-CG 3.46Å; Q200-L204 PolarHBondContact O-N 3.03Å; L204-A208 WeakPolarHBondContact O-CB 3.43Å; L204-A208 PolarHBondContact O-N 3.13Å
205C95Very high92.9Very high0 Ų060.3 Ų60.30%033%0.326CS..Hα-helixtrans-63.6-42.8173-73.20000112L201 K202 Q203 A208 L209 M237 I238L201-C205 WeakPolarHBondContact O-CB 3.43Å; L201-C205 PolarHBondContact O-N 3.29Å; L201-C205 PolarHBondContact O-SG 3.33Å; K202-C205 PolarHBondContact O-N 3.42Å; Q203-C205 PolarHBondContact O-N 3.44Å; C205-A208 PolarHBondContact O-N 3.29Å; C205-L209 WeakPolarHBondContact O-CD1 3.3Å; C205-L209 VanDerWaalsContact O-CG 3.25Å; C205-L209 WeakPolarHBondContact O-CG 3.36Å; C205-L209 PolarHBondContact O-N 3.45Å; C205-M237 HydrophobicContact CB-CB 3.83Å; C205-M237 HydrophobicContact CB-CG 4.34Å; C205-I238 HydrophobicContact CB-CG2 4.42Å
206A94.9Very high94Very high37 Ų3758 Ų5831%0.30630%0.303SS..Hα-helixtrans-64.3-46.6179.500000111.4K202 Q203 A208 L209 Q210 M237K202-A206 WeakPolarHBondContact O-CB 3.31Å; K202-A206 PolarHBondContact O-N 2.84Å; Q203-A206 WeakPolarHBondContact O-CB 3.5Å; Q203-A206 PolarHBondContact O-N 2.88Å; Q203-A206 VanDerWaalsContact O-N 3.1Å; A206-A208 VanDerWaalsContact C-N 3.35Å; A206-A208 PolarHBondContact O-N 2.98Å; A206-L209 PolarHBondContact O-N 2.92Å; A206-Q210 WeakPolarHBondContact O-CB 3.32Å; A206-Q210 PolarHBondContact O-N 3.25Å; A206-M237 HydrophobicContact CB-CE 4.28Å
207D94.4Very high94.7Very high57 Ų5756.9 Ų56.931%0.30530%0.298SS..Hα-helixtrans-63.5-41.8178.3-64.6-22.6000111.1Q203 Q210 N211Q203-D207 VanDerWaalsContact NE2-CG 3.27Å; Q203-D207 PolarHBondContact NE2-OD1 3.02Å; Q203-D207 PolarHBondContact NE2-OD2 2.86Å; Q203-D207 VanDerWaalsContact O-CG 3.25Å; Q203-D207 PolarHBondContact O-N 3.15Å; D207-Q210 PolarHBondContact O-N 2.74Å; D207-N211 WeakPolarHBondContact O-CB 3.38Å; D207-N211 PolarHBondContact O-N 2.94Å; D207-N211 PolarHBondContact O-ND2 3.09Å
208A95.1Very high95Very high12 Ų1254.3 Ų54.310%0.09928%0.28CS..Hα-helixtrans-63.4-44.3176.500000112L204 C205 A206 Q210 N211 G212 W213 F216L204-A208 WeakPolarHBondContact O-CB 3.43Å; L204-A208 PolarHBondContact O-N 3.13Å; C205-A208 PolarHBondContact O-N 3.29Å; A206-A208 VanDerWaalsContact C-N 3.35Å; A206-A208 PolarHBondContact O-N 2.98Å; A208-Q210 VanDerWaalsContact C-N 3.32Å; A208-Q210 PolarHBondContact O-N 3.29Å; A208-N211 CarbonylContact O-C 3.53Å; A208-N211 PolarHBondContact O-N 3.17Å; A208-N211 VanDerWaalsContact O-N 3.16Å; A208-G212 PolarHBondContact O-N 3.06Å; A208-W213 HydrophobicContact CB-CB 4.02Å; A208-W213 HydrophobicContact CB-CG 4.13Å; A208-W213 VanDerWaalsContact O-CB 3.3Å; A208-W213 WeakPolarHBondContact O-CB 3.2Å; A208-W213 PolarHBondContact O-N 3.44Å; A208-F216 HydrophobicContact CB-CE1 3.63Å; A208-F216 HydrophobicContact CB-CZ 4.27Å
209L95.9Very high95.2Very high58 Ų5851.8 Ų51.830%0.30427%0.266SS..Hα-helixtrans-60.9-41.7174.6-70.7164.5000111.9C205 A206 N211 G212 F216 M237 N242C205-L209 WeakPolarHBondContact O-CD1 3.3Å; C205-L209 VanDerWaalsContact O-CG 3.25Å; C205-L209 WeakPolarHBondContact O-CG 3.36Å; C205-L209 PolarHBondContact O-N 3.45Å; A206-L209 PolarHBondContact O-N 2.92Å; L209-N211 PolarHBondContact O-N 3.35Å; L209-G212 PolarHBondContact O-N 3.42Å; L209-G212 VanDerWaalsContact O-N 3.08Å; L209-F216 HydrophobicContact CD2-CE2 4.11Å; L209-F216 HydrophobicContact CD2-CZ 3.85Å; L209-F216 HydrophobicContact CG-CZ 4.06Å; L209-M237 WeakPolarHBondContact CD1-O 3.19Å; L209-N242 WeakPolarHBondContact CD2-ND2 3.29Å
210Q94.9Very high95.3Very high160 Ų16045.1 Ų45.175%0.74824%0.235SC*.Hα-helixtrans-62.5-33.5176.8-174.1175.94.200112.1A206 D207 A208 G212A206-Q210 WeakPolarHBondContact O-CB 3.32Å; A206-Q210 PolarHBondContact O-N 3.25Å; D207-Q210 PolarHBondContact O-N 2.74Å; A208-Q210 VanDerWaalsContact C-N 3.32Å; A208-Q210 PolarHBondContact O-N 3.29Å; Q210-G212 VanDerWaalsContact C-N 3.26Å; Q210-G212 PolarHBondContact O-N 3.12Å
211N93Very high95.6Very high105 Ų10541.1 Ų41.156%0.56122%0.217SC*.THydrogen-bonded Turntrans-85.210.2176.1-69.2-46.7000114D207 A208 L209D207-N211 WeakPolarHBondContact O-CB 3.38Å; D207-N211 PolarHBondContact O-N 2.94Å; D207-N211 PolarHBondContact O-ND2 3.09Å; A208-N211 CarbonylContact O-C 3.53Å; A208-N211 PolarHBondContact O-N 3.17Å; A208-N211 VanDerWaalsContact O-N 3.16Å; L209-N211 PolarHBondContact O-N 3.35Å
212G95.3Very high95.7Very high33 Ų3343.8 Ų43.834%0.3424%0.24SC..THydrogen-bonded Turntrans86.58.8172.800000115.4A208 L209 Q210A208-G212 PolarHBondContact O-N 3.06Å; L209-G212 PolarHBondContact O-N 3.42Å; L209-G212 VanDerWaalsContact O-N 3.08Å; Q210-G212 VanDerWaalsContact C-N 3.26Å; Q210-G212 PolarHBondContact O-N 3.12Å
213W97.8Very high95.9Very high23 Ų2343.1 Ų43.19%0.08724%0.241CC..  trans-70.2133.5175.2-65.194000111.4A186 A188 A208 F216 Y384 I398 A401A186-W213 HydrophobicContact CB-CH2 3.88Å; A186-W213 HydrophobicContact CB-CZ3 3.61Å; A188-W213 HydrophobicContact CB-CD2 3.75Å; A188-W213 HydrophobicContact CB-CE3 3.61Å; A188-W213 HydrophobicContact CB-CG 4.25Å; A188-W213 HydrophobicContact CB-CH2 4.5Å; A188-W213 HydrophobicContact CB-CZ3 4.01Å; A208-W213 HydrophobicContact CB-CB 4.02Å; A208-W213 HydrophobicContact CB-CG 4.13Å; A208-W213 VanDerWaalsContact O-CB 3.3Å; A208-W213 WeakPolarHBondContact O-CB 3.2Å; A208-W213 PolarHBondContact O-N 3.44Å; W213-F216 HydrophobicContact CB-CE1 4.17Å; W213-F216 HydrophobicContact CB-CZ 3.91Å; W213-F216 WeakPolarHBondContact O-CZ 3.34Å; W213-Y384 AromaticContact CH2-CD1 3.4Å; W213-Y384 HydrophobicContact CH2-CD1 3.4Å; W213-Y384 VanDerWaalsContact CH2-CD1 3.4Å; W213-Y384 HydrophobicContact CH2-CE1 4.3Å; W213-Y384 AromaticContact CH2-CG 3.68Å; W213-Y384 HydrophobicContact CH2-CG 3.68Å; W213-Y384 AromaticContact CZ2-CD1 3.42Å; W213-Y384 HydrophobicContact CZ2-CD1 3.42Å; W213-Y384 VanDerWaalsContact CZ2-CD1 3.42Å; W213-Y384 AromaticContact CZ2-CE1 3.9Å; W213-Y384 HydrophobicContact CZ2-CE1 3.9Å; W213-Y384 HydrophobicContact CZ2-CG 4.13Å; W213-I398 HydrophobicContact CH2-CG2 4.11Å; W213-I398 HydrophobicContact CZ2-CG2 3.8Å; W213-A401 HydrophobicContact CB-CB 4.5Å; W213-A401 HydrophobicContact CD2-CB 3.65Å; W213-A401 HydrophobicContact CE3-CB 3.47Å; W213-A401 VanDerWaalsContact CE3-CB 3.47Å; W213-A401 HydrophobicContact CG-CB 4.12Å; W213-A401 HydrophobicContact CH2-CB 4.42Å; W213-A401 HydrophobicContact CZ3-CB 3.88Å
214T97.4Very high96Very high58 Ų5840.8 Ų40.836%0.35623%0.231SC..  trans-127.82.2-17952.80000112.9N242 T243T214-N242 WeakPolarHBondContact CA-OD1 3.46Å; T214-N242 VanDerWaalsContact CB-OD1 3.29Å; T214-N242 WeakPolarHBondContact CB-OD1 3.45Å; T214-N242 WeakPolarHBondContact CG2-OD1 3.34Å; T214-N242 WeakPolarHBondContact O-CA 3.13Å; T214-N242 WeakPolarHBondContact O-CB 3.48Å; T214-N242 PolarHBondContact O-OD1 3.24Å; T214-T243 PolarHBondContact O-N 3.22Å
215R98.4Very high96.2Very high57 Ų5746.1 Ų46.122%0.21525%0.252CS..EExtended strand (participates in β ladder)trans-138.6127.1-176.3-51-173.1-172.178.53.6109.3A186 Y187 A188 T243 M245 M381A186-R215 PolarHBondContact O-NH1 3.47Å; Y187-R215 VanDerWaalsContact CB-CB 3.45Å; A188-R215 PolarHBondContact N-O 3.36Å; R215-T243 WeakPolarHBondContact CA-O 3.31Å; R215-M245 HydrophobicContact CB-CE 4.43Å; R215-M381 WeakPolarHBondContact CD-SD 3.43Å
216F98.2Very high96.3Very high0 Ų048.2 Ų48.20%026%0.263CS..EExtended strand (participates in β ladder)trans-135.8132.1-166.4-61.3-92.6000110.2A188 A208 L209 W213 I238 N242 T243 L244 M245A188-F216 WeakPolarHBondContact O-CA 3.37Å; A208-F216 HydrophobicContact CB-CE1 3.63Å; A208-F216 HydrophobicContact CB-CZ 4.27Å; L209-F216 HydrophobicContact CD2-CE2 4.11Å; L209-F216 HydrophobicContact CD2-CZ 3.85Å; L209-F216 HydrophobicContact CG-CZ 4.06Å; W213-F216 HydrophobicContact CB-CE1 4.17Å; W213-F216 HydrophobicContact CB-CZ 3.91Å; W213-F216 WeakPolarHBondContact O-CZ 3.34Å; F216-I238 HydrophobicContact CB-CD1 4.24Å; F216-I238 HydrophobicContact CD1-CG2 4.17Å; F216-I238 HydrophobicContact CD2-CB 4.07Å; F216-I238 HydrophobicContact CD2-CD1 3.7Å; F216-I238 HydrophobicContact CD2-CG1 4.47Å; F216-I238 HydrophobicContact CD2-CG2 3.76Å; F216-I238 HydrophobicContact CE1-CG2 4.08Å; F216-I238 HydrophobicContact CE2-CB 3.94Å; F216-I238 HydrophobicContact CE2-CD1 4.41Å; F216-I238 HydrophobicContact CE2-CG2 3.68Å; F216-I238 HydrophobicContact CG-CD1 4.17Å; F216-I238 HydrophobicContact CG-CG2 4.01Å; F216-I238 HydrophobicContact CZ-CG2 3.85Å; F216-N242 HydrophobicContact CD2-CB 4.48Å; F216-N242 HydrophobicContact CE2-CB 4.28Å; F216-T243 PolarHBondContact N-O 3.5Å; F216-L244 HydrophobicContact CB-CD1 4.44Å; F216-L244 CarbonylContact O-C 3.47Å; F216-L244 WeakPolarHBondContact O-CA 3.2Å; F216-M245 PolarHBondContact O-N 3.03Å; F216-M245 VanDerWaalsContact O-SD 3.41Å
217K98.1Very high96.4Very high1 Ų146.5 Ų46.50%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-107.6139.3171.7-170.516476.4-179.70110.3Y187 A188 T189 M245 D247 E273 E383Y187-K217 HydrophobicContact CD2-CB 3.95Å; Y187-K217 HydrophobicContact CE2-CB 3.73Å; Y187-K217 HydrophobicContact CE2-CD 3.8Å; Y187-K217 HydrophobicContact CE2-CG 4.37Å; Y187-K217 PolarHBondContact OH-NZ 3.36Å; Y187-K217 VanDerWaalsContact OH-NZ 3.11Å; A188-K217 PolarHBondContact O-N 2.84Å; T189-K217 HydrophobicContact CG2-CB 4.32Å; T189-K217 WeakPolarHBondContact OG1-CE 3.35Å; K217-M245 CarbonylContact C-O 3.44Å; K217-M245 WeakPolarHBondContact CA-O 3.33Å; K217-M245 HydrophobicContact CB-CB 4.28Å; K217-M245 HydrophobicContact CG-CB 4.15Å; K217-D247 HydrophobicContact CD-CB 4.02Å; K217-D247 HydrophobicContact CG-CB 4.21Å; K217-D247 IonicContact NZ-OD2 2.65Å; K217-E273 WeakPolarHBondContact CD-OE2 3.44Å; K217-E273 VanDerWaalsContact NZ-CD 3.26Å; K217-E273 IonicContact NZ-OE1 3.3Å; K217-E273 PolarHBondContact NZ-OE1 2.64Å; K217-E273 IonicContact NZ-OE2 3.58Å; K217-E273 PolarHBondContact NZ-OE2 2.96Å; K217-E383 WeakPolarHBondContact CE-OE1 3.36Å; K217-E383 IonicContact NZ-OE1 2.98Å; K217-E383 PolarHBondContact NZ-OE1 3.26Å; K217-E383 IonicContact NZ-OE2 2.7Å; K217-E383 PolarHBondContact NZ-OE2 3.09Å
218V96.4Very high96.6Very high0 Ų044.8 Ų44.80%024%0.239CC..EExtended strand (participates in β ladder)trans-125.6131.9175.856.90000111.4A192 I234 L244 M245 I246 D247A192-V218 HydrophobicContact CB-CB 3.69Å; A192-V218 HydrophobicContact CB-CG2 3.68Å; V218-I234 HydrophobicContact CB-CD1 3.88Å; V218-I234 HydrophobicContact CG1-CD1 4.49Å; V218-I234 HydrophobicContact CG2-CD1 3.69Å; V218-L244 HydrophobicContact CG1-CD1 3.98Å; V218-M245 WeakPolarHBondContact CG1-O 3.48Å; V218-M245 PolarHBondContact N-O 3.49Å; V218-I246 HydrophobicContact CG1-CB 4.43Å; V218-I246 HydrophobicContact CG1-CG2 3.65Å; V218-I246 CarbonylContact O-C 3.41Å; V218-I246 VanDerWaalsContact O-CA 3.3Å; V218-I246 WeakPolarHBondContact O-CA 3.49Å; V218-D247 PolarHBondContact O-N 3.15Å
219K96.3Very high96.7Very high10 Ų1048.4 Ų48.44%0.04325%0.25CS..EExtended strand (participates in β ladder)trans-70141.4173-60.7-55.3-162.5162.40110.3D25 A192 W193 L194 R230 D247 N249D25-K219 HydrophobicContact CB-CD 4.02Å; D25-K219 HydrophobicContact CB-CG 4.15Å; A192-K219 PolarHBondContact O-N 3.47Å; W193-K219 HydrophobicContact CE3-CG 3.95Å; W193-K219 HydrophobicContact CZ3-CD 4.46Å; W193-K219 HydrophobicContact CZ3-CG 4.33Å; L194-K219 HydrophobicContact CD2-CB 3.95Å; L194-K219 WeakPolarHBondContact CD2-O 3.38Å; L194-K219 HydrophobicContact CG-CB 3.81Å; K219-R230 PolarHBondContact O-NH1 3.43Å; K219-R230 PolarHBondContact O-NH2 3.42Å; K219-D247 CarbonylContact C-O 3.16Å; K219-D247 WeakPolarHBondContact CA-O 3.27Å; K219-D247 HydrophobicContact CD-CB 4.08Å; K219-D247 IonicContact NZ-OD2 2.7Å; K219-D247 PolarHBondContact NZ-OD2 3.38Å; K219-N249 WeakPolarHBondContact CD-OD1 3.34Å; K219-N249 PolarHBondContact NZ-ND2 3.04Å; K219-N249 PolarHBondContact NZ-OD1 2.9Å
220V97.3Very high96.7Very high0 Ų045.7 Ų45.70%024%0.236CC..  trans-143175.4179.8-64.30000110.9A26 D227 I246 D247 A248 W252 L264 I272A26-V220 VanDerWaalsContact CB-O 3.32Å; A26-V220 WeakPolarHBondContact CB-O 3.48Å; V220-D227 VanDerWaalsContact CA-OD1 3.3Å; V220-D227 WeakPolarHBondContact CA-OD1 3.3Å; V220-D227 HydrophobicContact CB-CB 4.33Å; V220-D227 HydrophobicContact CG1-CB 4.14Å; V220-I246 HydrophobicContact CG1-CB 4.2Å; V220-I246 HydrophobicContact CG1-CG2 4.33Å; V220-I246 HydrophobicContact CG2-CB 4.07Å; V220-I246 HydrophobicContact CG2-CD1 4.49Å; V220-D247 WeakPolarHBondContact CG2-O 3.38Å; V220-D247 PolarHBondContact N-O 2.92Å; V220-A248 HydrophobicContact CG2-CB 4.2Å; V220-W252 HydrophobicContact CG2-CH2 3.88Å; V220-W252 HydrophobicContact CG2-CZ2 4.34Å; V220-L264 HydrophobicContact CB-CD1 4.49Å; V220-L264 HydrophobicContact CG1-CD1 4.22Å; V220-I272 HydrophobicContact CG2-CD1 4.31Å
221G96.5Very high96.8Very high3 Ų338 Ų383%0.03120%0.2CC..  trans102.74.2167.200000117D227G221-D227 PolarHBondContact N-OD2 3.03Å
222A94Very high97Very high57 Ų5738.4 Ų38.447%0.47119%0.194SC..SBendtrans-91.2-50.4172.500000112.4A26 L194A26-A222 HydrophobicContact CB-CB 4.09Å; L194-A222 HydrophobicContact CD1-CB 3.98Å
223D96.8Very high97.1Very high82 Ų8237.6 Ų37.644%0.43918%0.182SC..  trans-141.5122178178.6-80.1000110.4K225 D226 D227D223-K225 VanDerWaalsContact C-N 3.31Å; D223-K225 PolarHBondContact O-N 3.04Å; D223-K225 WeakPolarHBondContact OD1-CA 3.32Å; D223-K225 WeakPolarHBondContact OD1-CB 3.35Å; D223-K225 PolarHBondContact OD1-N 2.91Å; D223-D226 HydrophobicContact CB-CB 3.97Å; D223-D226 WeakPolarHBondContact O-CB 3.09Å; D223-D226 PolarHBondContact O-N 3.18Å; D223-D226 PolarHBondContact OD1-N 3.12Å; D223-D227 VanDerWaalsContact O-CG 3.26Å; D223-D227 PolarHBondContact O-N 3.19Å
224L97.5Very high97Very high44 Ų4436.5 Ų36.523%0.2318%0.178CC..Hα-helixtrans-64-34.3-173.4176.661.8000112.9I228 W260 R263L224-I228 HydrophobicContact CD1-CD1 4.04Å; L224-I228 HydrophobicContact CD1-CG1 4.21Å; L224-I228 HydrophobicContact CG-CD1 4Å; L224-I228 WeakPolarHBondContact O-CB 3.4Å; L224-I228 WeakPolarHBondContact O-CD1 3.32Å; L224-I228 VanDerWaalsContact O-CG1 3.23Å; L224-I228 WeakPolarHBondContact O-CG1 2.94Å; L224-I228 PolarHBondContact O-N 3.28Å; L224-W260 HydrophobicContact CB-CD2 4.33Å; L224-W260 HydrophobicContact CB-CH2 4.22Å; L224-W260 HydrophobicContact CB-CZ2 3.69Å; L224-W260 HydrophobicContact CD1-CD2 4.17Å; L224-W260 HydrophobicContact CD1-CG 3.98Å; L224-R263 HydrophobicContact CD1-CB 4.01Å; L224-R263 HydrophobicContact CD2-CG 4.35Å
225K97.6Very high97.1Very high171 Ų17135.6 Ų35.674%0.74317%0.168SC*.Hα-helixtrans-70.8-39.7179.8-66.3177.7-179.3171.70110D223 R229D223-K225 VanDerWaalsContact C-N 3.31Å; D223-K225 PolarHBondContact O-N 3.04Å; D223-K225 WeakPolarHBondContact OD1-CA 3.32Å; D223-K225 WeakPolarHBondContact OD1-CB 3.35Å; D223-K225 PolarHBondContact OD1-N 2.91Å; K225-R229 VanDerWaalsContact O-CB 3.31Å; K225-R229 WeakPolarHBondContact O-CB 3.5Å; K225-R229 PolarHBondContact O-N 2.73Å
226D96.2Very high97Very high45 Ų4540 Ų4024%0.24119%0.19CC..Hα-helixtrans-63.6-45.7174.9-166.269.5000111.9D223 I228 R229 R230D223-D226 HydrophobicContact CB-CB 3.97Å; D223-D226 WeakPolarHBondContact O-CB 3.09Å; D223-D226 PolarHBondContact O-N 3.18Å; D223-D226 PolarHBondContact OD1-N 3.12Å; D226-I228 PolarHBondContact O-N 3.32Å; D226-R229 WeakPolarHBondContact O-CB 3.35Å; D226-R229 PolarHBondContact O-N 3.32Å; D226-R229 VanDerWaalsContact O-N 3.13Å; D226-R229 IonicContact OD1-CZ 2.57Å; D226-R229 VanDerWaalsContact OD1-CZ 3.3Å; D226-R229 IonicContact OD1-NE 3.68Å; D226-R229 PolarHBondContact OD1-NE 3.15Å; D226-R229 IonicContact OD1-NH2 3.31Å; D226-R229 PolarHBondContact OD1-NH2 3.37Å; D226-R229 IonicContact OD2-NH2 3.25Å; D226-R230 WeakPolarHBondContact O-CG 3.21Å; D226-R230 PolarHBondContact O-N 3.48Å; D226-R230 WeakPolarHBondContact OD2-CD 3.46Å; D226-R230 IonicContact OD2-CZ 2.77Å; D226-R230 IonicContact OD2-NE 3.74Å; D226-R230 PolarHBondContact OD2-NE 3.41Å
227D97.3Very high96.9Very high0 Ų043 Ų430%021%0.206CC..Hα-helixtrans-58.6-48.9176.2-67.7-23.3000111.7V220 G221 D223 R229 R230 C231 W260 L264V220-D227 VanDerWaalsContact CA-OD1 3.3Å; V220-D227 WeakPolarHBondContact CA-OD1 3.3Å; V220-D227 HydrophobicContact CB-CB 4.33Å; V220-D227 HydrophobicContact CG1-CB 4.14Å; G221-D227 PolarHBondContact N-OD2 3.03Å; D223-D227 VanDerWaalsContact O-CG 3.26Å; D223-D227 PolarHBondContact O-N 3.19Å; D227-R229 VanDerWaalsContact C-N 3.27Å; D227-R229 PolarHBondContact O-N 3.26Å; D227-R230 PolarHBondContact O-N 3.2Å; D227-R230 IonicContact OD1-NH2 3.25Å; D227-R230 PolarHBondContact OD1-NH2 3Å; D227-C231 WeakPolarHBondContact O-CB 3.35Å; D227-C231 PolarHBondContact O-N 3.16Å; D227-C231 PolarHBondContact O-SG 3.48Å; D227-W260 PolarHBondContact OD2-NE1 2.99Å; D227-L264 HydrophobicContact CB-CD1 4.36Å; D227-L264 HydrophobicContact CB-CD2 4.1Å
228I98Very high96.8Very high22 Ų2243.2 Ų43.211%0.11321%0.207CC..Hα-helixtrans-56.7-45.2176-71.1166.3000110.4L224 D226 R232 L264L224-I228 HydrophobicContact CD1-CD1 4.04Å; L224-I228 HydrophobicContact CD1-CG1 4.21Å; L224-I228 HydrophobicContact CG-CD1 4Å; L224-I228 WeakPolarHBondContact O-CB 3.4Å; L224-I228 WeakPolarHBondContact O-CD1 3.32Å; L224-I228 VanDerWaalsContact O-CG1 3.23Å; L224-I228 WeakPolarHBondContact O-CG1 2.94Å; L224-I228 PolarHBondContact O-N 3.28Å; D226-I228 PolarHBondContact O-N 3.32Å; I228-R232 VanDerWaalsContact O-CB 3.24Å; I228-R232 WeakPolarHBondContact O-CB 3.49Å; I228-R232 WeakPolarHBondContact O-CD 3.33Å; I228-R232 WeakPolarHBondContact O-CG 3.46Å; I228-R232 PolarHBondContact O-N 3.23Å; I228-L264 HydrophobicContact CB-CD2 4.46Å; I228-L264 HydrophobicContact CG1-CD2 3.73Å
229R97.1Very high96.9Very high88 Ų8844.1 Ų44.133%0.33222%0.216SC..Hα-helixtrans-63.5-52.5-179-176.8-170.363.771-8.4111.6D198 K225 D226 D227 L233D198-R229 IonicContact OD1-CZ 3.33Å; D198-R229 IonicContact OD1-NH1 3.88Å; D198-R229 PolarHBondContact OD1-NH1 3.39Å; D198-R229 IonicContact OD1-NH2 3.84Å; D198-R229 IonicContact OD2-NH1 3.68Å; D198-R229 PolarHBondContact OD2-NH1 3.43Å; K225-R229 VanDerWaalsContact O-CB 3.31Å; K225-R229 WeakPolarHBondContact O-CB 3.5Å; K225-R229 PolarHBondContact O-N 2.73Å; D226-R229 WeakPolarHBondContact O-CB 3.35Å; D226-R229 PolarHBondContact O-N 3.32Å; D226-R229 VanDerWaalsContact O-N 3.13Å; D226-R229 IonicContact OD1-CZ 2.57Å; D226-R229 VanDerWaalsContact OD1-CZ 3.3Å; D226-R229 IonicContact OD1-NE 3.68Å; D226-R229 PolarHBondContact OD1-NE 3.15Å; D226-R229 IonicContact OD1-NH2 3.31Å; D226-R229 PolarHBondContact OD1-NH2 3.37Å; D226-R229 IonicContact OD2-NH2 3.25Å; D227-R229 VanDerWaalsContact C-N 3.27Å; D227-R229 PolarHBondContact O-N 3.26Å; R229-L233 WeakPolarHBondContact O-CB 3.16Å; R229-L233 PolarHBondContact O-N 3.16Å
230R96.8Very high96.9Very high0 Ų049.7 Ų49.70%025%0.253CS..Hα-helixtrans-68.1-44.7-178.3-67.3-172.3-54.397.521112.1L201 K219 D226 D227 R232 L233 I234L201-R230 HydrophobicContact CD1-CB 4.16Å; L201-R230 HydrophobicContact CD1-CG 3.76Å; K219-R230 PolarHBondContact O-NH1 3.43Å; K219-R230 PolarHBondContact O-NH2 3.42Å; D226-R230 WeakPolarHBondContact O-CG 3.21Å; D226-R230 PolarHBondContact O-N 3.48Å; D226-R230 WeakPolarHBondContact OD2-CD 3.46Å; D226-R230 IonicContact OD2-CZ 2.77Å; D226-R230 IonicContact OD2-NE 3.74Å; D226-R230 PolarHBondContact OD2-NE 3.41Å; D227-R230 PolarHBondContact O-N 3.2Å; D227-R230 IonicContact OD1-NH2 3.25Å; D227-R230 PolarHBondContact OD1-NH2 3Å; R230-R232 VanDerWaalsContact C-N 3.35Å; R230-R232 PolarHBondContact O-N 2.86Å; R230-L233 PolarHBondContact O-N 2.85Å; R230-I234 WeakPolarHBondContact O-CG1 3.23Å; R230-I234 PolarHBondContact O-N 2.8Å
231C97.3Very high96.9Very high0 Ų054.9 Ų54.90%029%0.289CS..Hα-helixtrans-61.4-42.2177.3-71.60000111.7D227 R235 V267D227-C231 WeakPolarHBondContact O-CB 3.35Å; D227-C231 PolarHBondContact O-N 3.16Å; D227-C231 PolarHBondContact O-SG 3.48Å; C231-R235 VanDerWaalsContact O-CB 3.25Å; C231-R235 WeakPolarHBondContact O-CB 3.48Å; C231-R235 PolarHBondContact O-N 3.46Å; C231-V267 HydrophobicContact CB-CG1 4.08Å; C231-V267 HydrophobicContact CB-CG2 3.94Å
232R97.4Very high97Very high112 Ų11256 Ų5642%0.42330%0.295SS..Hα-helixtrans-61.9-44.2174.3-78.5175175.9171.70.6111.6I228 R230 R235 Q236 E266 V267I228-R232 VanDerWaalsContact O-CB 3.24Å; I228-R232 WeakPolarHBondContact O-CB 3.49Å; I228-R232 WeakPolarHBondContact O-CD 3.33Å; I228-R232 WeakPolarHBondContact O-CG 3.46Å; I228-R232 PolarHBondContact O-N 3.23Å; R230-R232 VanDerWaalsContact C-N 3.35Å; R230-R232 PolarHBondContact O-N 2.86Å; R232-R235 PolarHBondContact O-N 3.33Å; R232-Q236 VanDerWaalsContact O-CG 3.27Å; R232-Q236 WeakPolarHBondContact O-CG 3.44Å; R232-Q236 PolarHBondContact O-N 2.76Å; R232-E266 IonicContact CZ-OE1 3.03Å; R232-E266 IonicContact CZ-OE2 3.5Å; R232-E266 VanDerWaalsContact NE-CD 3.31Å; R232-E266 IonicContact NE-OE1 2.69Å; R232-E266 PolarHBondContact NE-OE1 3Å; R232-E266 IonicContact NE-OE2 3.41Å; R232-E266 PolarHBondContact NE-OE2 2.82Å; R232-E266 IonicContact NH2-OE1 2.65Å; R232-E266 PolarHBondContact NH2-OE1 2.95Å; R232-E266 IonicContact NH2-OE2 2.81Å; R232-E266 PolarHBondContact NH2-OE2 3.49Å; R232-V267 HydrophobicContact CG-CG1 4.15Å
233L96.8Very high97.2Very high16 Ų1655.2 Ų55.28%0.08428%0.284CS..Hα-helixtrans-61.8-49.7179.5176.963.1000111.4D198 L201 K202 R229 R230 R235 Q236 M237D198-L233 HydrophobicContact CB-CD2 3.93Å; L201-L233 HydrophobicContact CB-CD2 4.32Å; L201-L233 HydrophobicContact CD1-CD2 4.4Å; K202-L233 HydrophobicContact CD-CD1 4.23Å; K202-L233 HydrophobicContact CG-CD1 3.92Å; K202-L233 HydrophobicContact CG-CD2 4.19Å; K202-L233 HydrophobicContact CG-CG 4.32Å; R229-L233 WeakPolarHBondContact O-CB 3.16Å; R229-L233 PolarHBondContact O-N 3.16Å; R230-L233 PolarHBondContact O-N 2.85Å; L233-R235 VanDerWaalsContact C-N 3.34Å; L233-R235 PolarHBondContact O-N 3.39Å; L233-Q236 WeakPolarHBondContact O-CB 3.17Å; L233-Q236 PolarHBondContact O-N 2.73Å; L233-M237 WeakPolarHBondContact O-CG 3.24Å; L233-M237 PolarHBondContact O-N 3.38Å
234I96.6Very high97.3Very high1 Ų151.3 Ų51.31%0.00526%0.263CS..Hα-helixtrans-60.3-46.1177.5-67.7164.6000110A192 V218 R230 Q236 M237 I238 L244A192-I234 HydrophobicContact CB-CD1 3.57Å; V218-I234 HydrophobicContact CB-CD1 3.88Å; V218-I234 HydrophobicContact CG1-CD1 4.49Å; V218-I234 HydrophobicContact CG2-CD1 3.69Å; R230-I234 WeakPolarHBondContact O-CG1 3.23Å; R230-I234 PolarHBondContact O-N 2.8Å; I234-Q236 VanDerWaalsContact C-N 3.28Å; I234-Q236 PolarHBondContact O-N 2.89Å; I234-M237 PolarHBondContact O-N 2.64Å; I234-I238 HydrophobicContact CG2-CD1 4.19Å; I234-I238 HydrophobicContact CG2-CG2 4.17Å; I234-I238 WeakPolarHBondContact O-CG1 3.29Å; I234-I238 PolarHBondContact O-N 2.9Å; I234-L244 HydrophobicContact CG2-CD1 3.85Å
235R97.6Very high97.4Very high39 Ų3949.2 Ų49.215%0.14725%0.252CS..Hα-helixtrans-59-37.8177.1177.554.571.2-16810.4112.6C231 R232 L233 G239 N242 V267 K268C231-R235 VanDerWaalsContact O-CB 3.25Å; C231-R235 WeakPolarHBondContact O-CB 3.48Å; C231-R235 PolarHBondContact O-N 3.46Å; R232-R235 PolarHBondContact O-N 3.33Å; L233-R235 VanDerWaalsContact C-N 3.34Å; L233-R235 PolarHBondContact O-N 3.39Å; R235-G239 PolarHBondContact NH1-O 2.66Å; R235-G239 WeakPolarHBondContact O-CA 3.16Å; R235-G239 PolarHBondContact O-N 2.74Å; R235-N242 PolarHBondContact NH1-O 3.27Å; R235-V267 HydrophobicContact CB-CB 4.25Å; R235-V267 HydrophobicContact CB-CG1 4.23Å; R235-V267 HydrophobicContact CG-CB 4.4Å; R235-V267 VanDerWaalsContact CZ-O 3.28Å; R235-V267 PolarHBondContact NE-O 3.05Å; R235-V267 PolarHBondContact NH2-O 2.8Å; R235-K268 PolarHBondContact NH2-O 3.31Å
236Q97.3Very high97.4Very high148 Ų14841.1 Ų41.169%0.69222%0.217SC*.Hα-helixtrans-65.4-41174-73.61706.500112R232 L233 I234R232-Q236 VanDerWaalsContact O-CG 3.27Å; R232-Q236 WeakPolarHBondContact O-CG 3.44Å; R232-Q236 PolarHBondContact O-N 2.76Å; L233-Q236 WeakPolarHBondContact O-CB 3.17Å; L233-Q236 PolarHBondContact O-N 2.73Å; I234-Q236 VanDerWaalsContact C-N 3.28Å; I234-Q236 PolarHBondContact O-N 2.89Å
237M96.4Very high97.5Very high65 Ų6539 Ų3932%0.3221%0.205SC..Hα-helixtrans-69.3-48.4-179.6-68.1-60.8-61.100112.5K202 C205 A206 L209 L233 I234 G239K202-M237 HydrophobicContact CB-CE 4.22Å; K202-M237 HydrophobicContact CB-SD 4.33Å; K202-M237 HydrophobicContact CG-CE 4.49Å; K202-M237 HydrophobicContact CG-CG 4.28Å; K202-M237 HydrophobicContact CG-SD 3.96Å; K202-M237 WeakPolarHBondContact O-CE 3.41Å; C205-M237 HydrophobicContact CB-CB 3.83Å; C205-M237 HydrophobicContact CB-CG 4.34Å; A206-M237 HydrophobicContact CB-CE 4.28Å; L209-M237 WeakPolarHBondContact CD1-O 3.19Å; L233-M237 WeakPolarHBondContact O-CG 3.24Å; L233-M237 PolarHBondContact O-N 3.38Å; I234-M237 PolarHBondContact O-N 2.64Å; M237-G239 VanDerWaalsContact C-N 3.34Å
238I96.8Very high97.6Very high5 Ų539 Ų393%0.02621%0.205CC..Hα-helixtrans-83.1-13.5-175.675.8177.7000112.5C205 F216 I234 N242 L244C205-I238 HydrophobicContact CB-CG2 4.42Å; F216-I238 HydrophobicContact CB-CD1 4.24Å; F216-I238 HydrophobicContact CD1-CG2 4.17Å; F216-I238 HydrophobicContact CD2-CB 4.07Å; F216-I238 HydrophobicContact CD2-CD1 3.7Å; F216-I238 HydrophobicContact CD2-CG1 4.47Å; F216-I238 HydrophobicContact CD2-CG2 3.76Å; F216-I238 HydrophobicContact CE1-CG2 4.08Å; F216-I238 HydrophobicContact CE2-CB 3.94Å; F216-I238 HydrophobicContact CE2-CD1 4.41Å; F216-I238 HydrophobicContact CE2-CG2 3.68Å; F216-I238 HydrophobicContact CG-CD1 4.17Å; F216-I238 HydrophobicContact CG-CG2 4.01Å; F216-I238 HydrophobicContact CZ-CG2 3.85Å; I234-I238 HydrophobicContact CG2-CD1 4.19Å; I234-I238 HydrophobicContact CG2-CG2 4.17Å; I234-I238 WeakPolarHBondContact O-CG1 3.29Å; I234-I238 PolarHBondContact O-N 2.9Å; I238-N242 HydrophobicContact CB-CB 4.08Å; I238-N242 HydrophobicContact CD1-CB 4.17Å; I238-N242 HydrophobicContact CG1-CB 4.1Å; I238-N242 WeakPolarHBondContact O-CB 3.41Å; I238-N242 PolarHBondContact O-ND2 3.35Å; I238-L244 HydrophobicContact CD1-CB 4.24Å; I238-L244 HydrophobicContact CD1-CD1 4.24Å
239G97.3Very high97.6Very high19 Ų1937.9 Ų37.920%0.19620%0.2CC..  trans74.4176-178.100000114.3R235 M237R235-G239 PolarHBondContact NH1-O 2.66Å; R235-G239 WeakPolarHBondContact O-CA 3.16Å; R235-G239 PolarHBondContact O-N 2.74Å; M237-G239 VanDerWaalsContact C-N 3.34Å
240P97.3Very high97.6Very high127 Ų12735.2 Ų35.283%0.82519%0.191SC*.SBendtrans-80.2-17.3-17231.5-36000114.5
241S97.1Very high97.6Very high108 Ų10840.3 Ų40.376%0.75521%0.21SC*.SBendtrans-85.8-23.4-177.654.10000113.8
242N98.1Very high97.7Very high28 Ų2840.5 Ų40.515%0.1521%0.211CC..SBendtrans-80.4149.6179.6-75.2-35.8000111.4L209 T214 F216 R235 I238L209-N242 WeakPolarHBondContact CD2-ND2 3.29Å; T214-N242 WeakPolarHBondContact CA-OD1 3.46Å; T214-N242 VanDerWaalsContact CB-OD1 3.29Å; T214-N242 WeakPolarHBondContact CB-OD1 3.45Å; T214-N242 WeakPolarHBondContact CG2-OD1 3.34Å; T214-N242 WeakPolarHBondContact O-CA 3.13Å; T214-N242 WeakPolarHBondContact O-CB 3.48Å; T214-N242 PolarHBondContact O-OD1 3.24Å; F216-N242 HydrophobicContact CD2-CB 4.48Å; F216-N242 HydrophobicContact CE2-CB 4.28Å; R235-N242 PolarHBondContact NH1-O 3.27Å; I238-N242 HydrophobicContact CB-CB 4.08Å; I238-N242 HydrophobicContact CD1-CB 4.17Å; I238-N242 HydrophobicContact CG1-CB 4.1Å; I238-N242 WeakPolarHBondContact O-CB 3.41Å; I238-N242 PolarHBondContact O-ND2 3.35Å
243T98.5Very high97.8Very high39 Ų3941.3 Ų41.324%0.23922%0.224CC..EExtended strand (participates in β ladder)trans-78.7134-177.7-49.30000109.5T214 R215 F216 M245 L270T214-T243 PolarHBondContact O-N 3.22Å; R215-T243 WeakPolarHBondContact CA-O 3.31Å; F216-T243 PolarHBondContact N-O 3.5Å; T243-M245 HydrophobicContact CG2-CG 4.44Å; T243-M245 HydrophobicContact CG2-SD 3.51Å; T243-M245 VanDerWaalsContact CG2-SD 3.51Å; T243-L270 HydrophobicContact CG2-CB 3.87Å; T243-L270 HydrophobicContact CG2-CD2 3.6Å; T243-L270 HydrophobicContact CG2-CG 4.34Å
244L98.6Very high97.9Very high1 Ų142.5 Ų42.51%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-121.1135.2172.7-176.964.6000108.4F216 V218 I234 I238 V267 P269 L270F216-L244 HydrophobicContact CB-CD1 4.44Å; F216-L244 CarbonylContact O-C 3.47Å; F216-L244 WeakPolarHBondContact O-CA 3.2Å; V218-L244 HydrophobicContact CG1-CD1 3.98Å; I234-L244 HydrophobicContact CG2-CD1 3.85Å; I238-L244 HydrophobicContact CD1-CB 4.24Å; I238-L244 HydrophobicContact CD1-CD1 4.24Å; L244-V267 HydrophobicContact CD2-CB 4.02Å; L244-V267 HydrophobicContact CD2-CG2 3.84Å; L244-P269 CarbonylContact O-C 3.49Å; L244-P269 VanDerWaalsContact O-CA 3.31Å; L244-P269 WeakPolarHBondContact O-CA 3.33Å; L244-L270 PolarHBondContact O-N 3.22Å
245M98.8Very high98Very high0 Ų046.1 Ų46.10%026%0.262CS..EExtended strand (participates in β ladder)trans-125148.7174-57.588.185.500108.6Y187 R215 F216 K217 V218 T243 L270 W271 M381Y187-M245 HydrophobicContact CD1-CE 3.9Å; Y187-M245 HydrophobicContact CD2-CE 3.32Å; Y187-M245 HydrophobicContact CE1-CE 4.37Å; Y187-M245 HydrophobicContact CE2-CE 3.86Å; Y187-M245 HydrophobicContact CG-CE 3.31Å; R215-M245 HydrophobicContact CB-CE 4.43Å; F216-M245 PolarHBondContact O-N 3.03Å; F216-M245 VanDerWaalsContact O-SD 3.41Å; K217-M245 CarbonylContact C-O 3.44Å; K217-M245 WeakPolarHBondContact CA-O 3.33Å; K217-M245 HydrophobicContact CB-CB 4.28Å; K217-M245 HydrophobicContact CG-CB 4.15Å; V218-M245 WeakPolarHBondContact CG1-O 3.48Å; V218-M245 PolarHBondContact N-O 3.49Å; T243-M245 HydrophobicContact CG2-CG 4.44Å; T243-M245 HydrophobicContact CG2-SD 3.51Å; T243-M245 VanDerWaalsContact CG2-SD 3.51Å; M245-L270 HydrophobicContact CG-CB 4.22Å; M245-W271 HydrophobicContact CB-CD2 3.88Å; M245-W271 HydrophobicContact CB-CE3 4.5Å; M245-W271 HydrophobicContact CB-CG 4.23Å; M245-W271 HydrophobicContact CB-CH2 4.45Å; M245-W271 HydrophobicContact CB-CZ2 3.84Å; M245-W271 HydrophobicContact CE-CH2 3.44Å; M245-W271 VanDerWaalsContact CE-CH2 3.44Å; M245-W271 HydrophobicContact CE-CZ2 3.74Å; M245-W271 HydrophobicContact CE-CZ3 4.08Å; M245-W271 HydrophobicContact CG-CD2 3.51Å; M245-W271 VanDerWaalsContact CG-CE2 3.47Å; M245-W271 HydrophobicContact CG-CE3 3.63Å; M245-W271 HydrophobicContact CG-CG 4.22Å; M245-W271 HydrophobicContact CG-CH2 3.69Å; M245-W271 HydrophobicContact CG-CZ2 3.57Å; M245-W271 HydrophobicContact CG-CZ3 3.71Å; M245-W271 HydrophobicContact SD-CH2 4.32Å; M245-W271 HydrophobicContact SD-CZ3 4.46Å; M245-M381 HydrophobicContact CE-SD 3.93Å
246I98.6Very high98Very high0 Ų048.4 Ų48.40%027%0.274CS..EExtended strand (participates in β ladder)trans-121.4147.6176.362.3172.5000109.6V218 V220 V261 L264 P269 W271 I272 E273V218-I246 HydrophobicContact CG1-CB 4.43Å; V218-I246 HydrophobicContact CG1-CG2 3.65Å; V218-I246 CarbonylContact O-C 3.41Å; V218-I246 VanDerWaalsContact O-CA 3.3Å; V218-I246 WeakPolarHBondContact O-CA 3.49Å; V220-I246 HydrophobicContact CG1-CB 4.2Å; V220-I246 HydrophobicContact CG1-CG2 4.33Å; V220-I246 HydrophobicContact CG2-CB 4.07Å; V220-I246 HydrophobicContact CG2-CD1 4.49Å; I246-V261 HydrophobicContact CD1-CG1 4.25Å; I246-V261 HydrophobicContact CD1-CG2 4.43Å; I246-L264 HydrophobicContact CD1-CB 4.42Å; I246-L264 HydrophobicContact CD1-CD1 3.87Å; I246-P269 HydrophobicContact CD1-CB 4.28Å; I246-P269 HydrophobicContact CD1-CG 4.12Å; I246-P269 HydrophobicContact CG1-CB 4.02Å; I246-P269 HydrophobicContact CG1-CG 4.38Å; I246-P269 HydrophobicContact CG2-CB 4.07Å; I246-W271 WeakPolarHBondContact CG1-O 3.48Å; I246-W271 PolarHBondContact N-O 2.91Å; I246-W271 VanDerWaalsContact N-O 3.08Å; I246-I272 HydrophobicContact CD1-CB 4.25Å; I246-I272 HydrophobicContact CD1-CD1 3.88Å; I246-I272 HydrophobicContact CG1-CB 4.05Å; I246-I272 HydrophobicContact CG1-CD1 3.68Å; I246-I272 HydrophobicContact CG1-CG1 4.45Å; I246-I272 CarbonylContact O-C 3.58Å; I246-I272 WeakPolarHBondContact O-CA 3.42Å; I246-E273 PolarHBondContact O-N 2.81Å
247D98.5Very high98.1Very high0 Ų041.3 Ų41.30%024%0.241CC..EExtended strand (participates in β ladder)trans-137.6124.1-176.1176.80.2000110.4K217 V218 K219 V220 N249 E273K217-D247 HydrophobicContact CD-CB 4.02Å; K217-D247 HydrophobicContact CG-CB 4.21Å; K217-D247 IonicContact NZ-OD2 2.65Å; V218-D247 PolarHBondContact O-N 3.15Å; K219-D247 CarbonylContact C-O 3.16Å; K219-D247 WeakPolarHBondContact CA-O 3.27Å; K219-D247 HydrophobicContact CD-CB 4.08Å; K219-D247 IonicContact NZ-OD2 2.7Å; K219-D247 PolarHBondContact NZ-OD2 3.38Å; V220-D247 WeakPolarHBondContact CG2-O 3.38Å; V220-D247 PolarHBondContact N-O 2.92Å; D247-N249 VanDerWaalsContact OD1-CG 3.28Å; D247-N249 PolarHBondContact OD1-N 3.35Å; D247-N249 PolarHBondContact OD1-ND2 2.82Å; D247-N249 PolarHBondContact OD1-OD1 3.33Å; D247-N249 PolarHBondContact OD2-ND2 3.38Å; D247-E273 HydrophobicContact CB-CB 3.84Å; D247-E273 HydrophobicContact CB-CG 4.04Å
248A98.3Very high98.2Very high0 Ų040.4 Ų40.40%024%0.237CC..  trans-102.8-4.7-175.600000114.2V220 Q250 R251 W252 I272 E273V220-A248 HydrophobicContact CG2-CB 4.2Å; A248-Q250 PolarHBondContact O-N 2.88Å; A248-Q250 VanDerWaalsContact O-N 3.15Å; A248-R251 WeakPolarHBondContact O-CB 3.48Å; A248-R251 WeakPolarHBondContact O-CG 3.35Å; A248-R251 PolarHBondContact O-N 2.99Å; A248-W252 HydrophobicContact CB-CD2 4.14Å; A248-W252 HydrophobicContact CB-CE3 3.67Å; A248-W252 HydrophobicContact CB-CH2 3.5Å; A248-W252 VanDerWaalsContact CB-CH2 3.5Å; A248-W252 HydrophobicContact CB-CZ2 3.94Å; A248-W252 HydrophobicContact CB-CZ3 3.34Å; A248-I272 HydrophobicContact CB-CD1 3.89Å; A248-E273 PolarHBondContact N-O 2.75Å
249N97.9Very high98.3Very high0 Ų043.9 Ų43.90%026%0.262CS..THydrogen-bonded Turntrans44.250.3179.7-56105.1000113.1D25 M27 K219 D247 R251D25-N249 HydrophobicContact CB-CB 4.38Å; D25-N249 VanDerWaalsContact CB-OD1 3.23Å; D25-N249 WeakPolarHBondContact CB-OD1 3.13Å; D25-N249 WeakPolarHBondContact OD1-CB 3.49Å; M27-N249 HydrophobicContact CB-CB 4.17Å; M27-N249 WeakPolarHBondContact CB-O 3.24Å; K219-N249 WeakPolarHBondContact CD-OD1 3.34Å; K219-N249 PolarHBondContact NZ-ND2 3.04Å; K219-N249 PolarHBondContact NZ-OD1 2.9Å; D247-N249 VanDerWaalsContact OD1-CG 3.28Å; D247-N249 PolarHBondContact OD1-N 3.35Å; D247-N249 PolarHBondContact OD1-ND2 2.82Å; D247-N249 PolarHBondContact OD1-OD1 3.33Å; D247-N249 PolarHBondContact OD2-ND2 3.38Å; N249-R251 VanDerWaalsContact C-N 3.32Å; N249-R251 PolarHBondContact O-N 3.26Å
250Q98.4Very high98.4Very high32 Ų3244.5 Ų44.515%0.1526%0.258CS..THydrogen-bonded Turntrans72.515.2168-46.3157.822.500115.6M27 A248 W252 E274 T276 P278M27-Q250 HydrophobicContact CE-CB 4.39Å; A248-Q250 PolarHBondContact O-N 2.88Å; A248-Q250 VanDerWaalsContact O-N 3.15Å; Q250-W252 PolarHBondContact O-N 2.91Å; Q250-E274 WeakPolarHBondContact CA-O 3.24Å; Q250-E274 HydrophobicContact CG-CB 3.9Å; Q250-E274 HydrophobicContact CG-CG 4.48Å; Q250-E274 WeakPolarHBondContact CG-OE2 3.31Å; Q250-E274 PolarHBondContact N-O 3.06Å; Q250-E274 PolarHBondContact NE2-OE2 3.41Å; Q250-T276 WeakPolarHBondContact CA-O 3.48Å; Q250-P278 VanDerWaalsContact CD-CD 3.49Å
251R97.3Very high98.5Very high106 Ų10638.5 Ų38.540%0.422%0.219SC..  trans-67.4-27.6-164.6-75.8-71-68-176.62.5116.8A26 M27 A248 N249A26-R251 HydrophobicContact CB-CG 3.52Å; A26-R251 VanDerWaalsContact O-CD 3.27Å; A26-R251 WeakPolarHBondContact O-CD 3.49Å; A26-R251 PolarHBondContact O-NE 3.12Å; A26-R251 PolarHBondContact O-NH1 3.25Å; M27-R251 HydrophobicContact CE-CG 4.34Å; A248-R251 WeakPolarHBondContact O-CB 3.48Å; A248-R251 WeakPolarHBondContact O-CG 3.35Å; A248-R251 PolarHBondContact O-N 2.99Å; N249-R251 VanDerWaalsContact C-N 3.32Å; N249-R251 PolarHBondContact O-N 3.26Å
252W98.7Very high98.5Very high5 Ų536.4 Ų36.42%0.01920%0.202CC..  trans-112.9149.8-162.8-51.9-51.4000112.6V220 A248 Q250 E256 A257 W260 V261 I272 P275 T276V220-W252 HydrophobicContact CG2-CH2 3.88Å; V220-W252 HydrophobicContact CG2-CZ2 4.34Å; A248-W252 HydrophobicContact CB-CD2 4.14Å; A248-W252 HydrophobicContact CB-CE3 3.67Å; A248-W252 HydrophobicContact CB-CH2 3.5Å; A248-W252 VanDerWaalsContact CB-CH2 3.5Å; A248-W252 HydrophobicContact CB-CZ2 3.94Å; A248-W252 HydrophobicContact CB-CZ3 3.34Å; Q250-W252 PolarHBondContact O-N 2.91Å; W252-E256 HydrophobicContact CB-CB 4.09Å; W252-E256 HydrophobicContact CB-CG 3.98Å; W252-E256 HydrophobicContact CG-CG 4.04Å; W252-A257 HydrophobicContact CB-CB 3.95Å; W252-A257 HydrophobicContact CD2-CB 4.41Å; W252-A257 HydrophobicContact CE3-CB 3.73Å; W252-W260 AromaticContact CD1-CE3 3.92Å; W252-W260 HydrophobicContact CD2-CB 4.44Å; W252-W260 AromaticContact CE2-CD2 3.66Å; W252-W260 AromaticContact CE2-CE3 3.97Å; W252-W260 AromaticContact CE2-CG 3.71Å; W252-W260 HydrophobicContact CH2-CB 4.17Å; W252-W260 AromaticContact CH2-CD1 3.75Å; W252-W260 AromaticContact CH2-CG 3.96Å; W252-W260 HydrophobicContact CH2-CG 3.96Å; W252-W260 HydrophobicContact CZ2-CB 3.92Å; W252-W260 AromaticContact CZ2-CD1 3.29Å; W252-W260 AromaticContact CZ2-CD2 3.63Å; W252-W260 HydrophobicContact CZ2-CD2 3.63Å; W252-W260 AromaticContact CZ2-CE2 3.72Å; W252-W260 HydrophobicContact CZ2-CE3 4.4Å; W252-W260 AromaticContact CZ2-CG 3.36Å; W252-W260 HydrophobicContact CZ2-CG 3.36Å; W252-W260 AromaticContact CZ2-NE1 3.51Å; W252-W260 AromaticContact NE1-CD2 3.5Å; W252-W260 AromaticContact NE1-CE2 3.87Å; W252-W260 AromaticContact NE1-CE3 3.37Å; W252-W260 AromaticContact NE1-CZ3 3.64Å; W252-V261 HydrophobicContact CH2-CG2 4.11Å; W252-V261 HydrophobicContact CZ3-CG2 3.68Å; W252-I272 HydrophobicContact CH2-CD1 4.11Å; W252-I272 HydrophobicContact CZ3-CD1 3.75Å; W252-I272 HydrophobicContact CZ3-CG1 4.15Å; W252-P275 WeakPolarHBondContact CB-O 3.24Å; W252-P275 HydrophobicContact CE3-CB 4.33Å; W252-P275 PolarHBondContact N-O 3.04Å; W252-T276 WeakPolarHBondContact O-CA 3.39Å; W252-T276 WeakPolarHBondContact O-CB 3.31Å; W252-T276 PolarHBondContact O-OG1 3.23Å
253D98.8Very high98.6Very high128 Ų12842 Ų4268%0.68422%0.221SC*.  trans-68.1160.6158.2-77.9-17.3000110.5A255 E256 A257D253-A255 PolarHBondContact O-N 3.48Å; D253-E256 WeakPolarHBondContact O-CB 3.38Å; D253-E256 PolarHBondContact O-N 3.43Å; D253-E256 VanDerWaalsContact O-N 3.08Å; D253-A257 PolarHBondContact O-N 2.86Å
254V98.9Very high98.6Very high41 Ų4140.1 Ų40.125%0.24821%0.21CC..Hα-helixtrans-51.4-49.5-174.71730000114A257 I258 G283 A286 I287V254-A257 PolarHBondContact O-N 3.33Å; V254-I258 HydrophobicContact CG1-CD1 4.25Å; V254-I258 WeakPolarHBondContact O-CG1 3.4Å; V254-I258 PolarHBondContact O-N 2.99Å; V254-G283 VanDerWaalsContact CG2-CA 3.41Å; V254-A286 HydrophobicContact CG1-CB 3.94Å; V254-I287 HydrophobicContact CG1-CG1 4.05Å; V254-I287 HydrophobicContact CG2-CD1 4.45Å
255A98.8Very high98.6Very high78 Ų7841.3 Ų41.365%0.64522%0.219SC*.Hα-helixtrans-70.3-35-178.100000112.2D253 S259D253-A255 PolarHBondContact O-N 3.48Å; A255-S259 WeakPolarHBondContact O-CB 3.22Å; A255-S259 PolarHBondContact O-N 3.36Å; A255-S259 VanDerWaalsContact O-N 3.09Å
256E98.8Very high98.5Very high86 Ų8646.2 Ų46.240%0.40224%0.242SC..Hα-helixtrans-66-46.6175.9179.7177-15100110.4W252 D253 I258 S259 W260W252-E256 HydrophobicContact CB-CB 4.09Å; W252-E256 HydrophobicContact CB-CG 3.98Å; W252-E256 HydrophobicContact CG-CG 4.04Å; D253-E256 WeakPolarHBondContact O-CB 3.38Å; D253-E256 PolarHBondContact O-N 3.43Å; D253-E256 VanDerWaalsContact O-N 3.08Å; E256-I258 VanDerWaalsContact C-N 3.34Å; E256-I258 PolarHBondContact O-N 2.86Å; E256-S259 PolarHBondContact O-N 3.46Å; E256-S259 VanDerWaalsContact O-N 3.14Å; E256-W260 HydrophobicContact CG-CE3 4.01Å; E256-W260 WeakPolarHBondContact O-CB 3.47Å; E256-W260 PolarHBondContact O-N 2.88Å; E256-W260 WeakPolarHBondContact OE1-CZ3 3.31Å
257A98.9Very high98.5Very high0 Ų046.4 Ų46.40%024%0.243CC..Hα-helixtrans-54.4-48176.300000112.2W252 D253 V254 S259 W260 V261 P275 I287W252-A257 HydrophobicContact CB-CB 3.95Å; W252-A257 HydrophobicContact CD2-CB 4.41Å; W252-A257 HydrophobicContact CE3-CB 3.73Å; D253-A257 PolarHBondContact O-N 2.86Å; V254-A257 PolarHBondContact O-N 3.33Å; A257-S259 PolarHBondContact O-N 3.08Å; A257-W260 PolarHBondContact O-N 3.34Å; A257-V261 WeakPolarHBondContact O-CB 3.36Å; A257-V261 VanDerWaalsContact O-CG2 3.23Å; A257-V261 WeakPolarHBondContact O-CG2 3.43Å; A257-V261 PolarHBondContact O-N 2.78Å; A257-P275 HydrophobicContact CB-CB 4Å; A257-I287 HydrophobicContact CB-CD1 3.8Å; A257-I287 HydrophobicContact CB-CG1 4.11Å
258I98.9Very high98.5Very high46 Ų4654.4 Ų54.424%0.23628%0.278CS..Hα-helixtrans-60.4-48.1178.3-65.6165.6000110.3V254 E256 T262 I287 A290V254-I258 HydrophobicContact CG1-CD1 4.25Å; V254-I258 WeakPolarHBondContact O-CG1 3.4Å; V254-I258 PolarHBondContact O-N 2.99Å; E256-I258 VanDerWaalsContact C-N 3.34Å; E256-I258 PolarHBondContact O-N 2.86Å; I258-T262 VanDerWaalsContact O-CB 3.27Å; I258-T262 WeakPolarHBondContact O-CB 3.31Å; I258-T262 PolarHBondContact O-N 3.14Å; I258-T262 PolarHBondContact O-OG1 3.35Å; I258-I287 HydrophobicContact CG1-CB 4.46Å; I258-I287 HydrophobicContact CG1-CG1 4.15Å; I258-A290 HydrophobicContact CD1-CB 3.61Å; I258-A290 HydrophobicContact CG1-CB 3.8Å; I258-A290 HydrophobicContact CG2-CB 3.9Å
259S98.8Very high98.5Very high77 Ų7754.6 Ų54.654%0.53828%0.279SS..Hα-helixtrans-61.5-48.3179.5175.80000111.5A255 E256 A257 T262 R263A255-S259 WeakPolarHBondContact O-CB 3.22Å; A255-S259 PolarHBondContact O-N 3.36Å; A255-S259 VanDerWaalsContact O-N 3.09Å; E256-S259 PolarHBondContact O-N 3.46Å; E256-S259 VanDerWaalsContact O-N 3.14Å; A257-S259 PolarHBondContact O-N 3.08Å; S259-T262 PolarHBondContact O-N 3.09Å; S259-R263 WeakPolarHBondContact O-CG 3.33Å; S259-R263 PolarHBondContact O-N 3.4Å
260W98.8Very high98.6Very high33 Ų3357.3 Ų57.313%0.12529%0.293CS..Hα-helixtrans-63.7-50.7-177-153.9-66.7000111.7L224 D227 W252 E256 A257 T262 R263 L264L224-W260 HydrophobicContact CB-CD2 4.33Å; L224-W260 HydrophobicContact CB-CH2 4.22Å; L224-W260 HydrophobicContact CB-CZ2 3.69Å; L224-W260 HydrophobicContact CD1-CD2 4.17Å; L224-W260 HydrophobicContact CD1-CG 3.98Å; D227-W260 PolarHBondContact OD2-NE1 2.99Å; W252-W260 AromaticContact CD1-CE3 3.92Å; W252-W260 HydrophobicContact CD2-CB 4.44Å; W252-W260 AromaticContact CE2-CD2 3.66Å; W252-W260 AromaticContact CE2-CE3 3.97Å; W252-W260 AromaticContact CE2-CG 3.71Å; W252-W260 HydrophobicContact CH2-CB 4.17Å; W252-W260 AromaticContact CH2-CD1 3.75Å; W252-W260 AromaticContact CH2-CG 3.96Å; W252-W260 HydrophobicContact CH2-CG 3.96Å; W252-W260 HydrophobicContact CZ2-CB 3.92Å; W252-W260 AromaticContact CZ2-CD1 3.29Å; W252-W260 AromaticContact CZ2-CD2 3.63Å; W252-W260 HydrophobicContact CZ2-CD2 3.63Å; W252-W260 AromaticContact CZ2-CE2 3.72Å; W252-W260 HydrophobicContact CZ2-CE3 4.4Å; W252-W260 AromaticContact CZ2-CG 3.36Å; W252-W260 HydrophobicContact CZ2-CG 3.36Å; W252-W260 AromaticContact CZ2-NE1 3.51Å; W252-W260 AromaticContact NE1-CD2 3.5Å; W252-W260 AromaticContact NE1-CE2 3.87Å; W252-W260 AromaticContact NE1-CE3 3.37Å; W252-W260 AromaticContact NE1-CZ3 3.64Å; E256-W260 HydrophobicContact CG-CE3 4.01Å; E256-W260 WeakPolarHBondContact O-CB 3.47Å; E256-W260 PolarHBondContact O-N 2.88Å; E256-W260 WeakPolarHBondContact OE1-CZ3 3.31Å; A257-W260 PolarHBondContact O-N 3.34Å; W260-T262 VanDerWaalsContact C-N 3.32Å; W260-T262 PolarHBondContact O-N 2.82Å; W260-R263 WeakPolarHBondContact O-CB 3.47Å; W260-R263 PolarHBondContact O-N 3.31Å; W260-L264 PolarHBondContact O-N 3Å
261V98.8Very high98.6Very high0 Ų055.8 Ų55.80%029%0.286CS..Hα-helixtrans-67.2-34.5-178.5179.30000111.4I246 W252 A257 R263 L264 A265 I272 L291 I296I246-V261 HydrophobicContact CD1-CG1 4.25Å; I246-V261 HydrophobicContact CD1-CG2 4.43Å; W252-V261 HydrophobicContact CH2-CG2 4.11Å; W252-V261 HydrophobicContact CZ3-CG2 3.68Å; A257-V261 WeakPolarHBondContact O-CB 3.36Å; A257-V261 VanDerWaalsContact O-CG2 3.23Å; A257-V261 WeakPolarHBondContact O-CG2 3.43Å; A257-V261 PolarHBondContact O-N 2.78Å; V261-R263 PolarHBondContact O-N 3.46Å; V261-L264 CarbonylContact O-C 2.95Å; V261-L264 WeakPolarHBondContact O-CA 3.45Å; V261-L264 PolarHBondContact O-N 3.44Å; V261-A265 PolarHBondContact O-N 3.35Å; V261-A265 VanDerWaalsContact O-N 3.08Å; V261-I272 HydrophobicContact CG1-CB 4.34Å; V261-I272 HydrophobicContact CG1-CG2 4.35Å; V261-I272 HydrophobicContact CG2-CB 4.03Å; V261-I272 HydrophobicContact CG2-CD1 4.12Å; V261-I272 HydrophobicContact CG2-CG1 3.76Å; V261-I272 HydrophobicContact CG2-CG2 4.26Å; V261-L291 HydrophobicContact CB-CD1 4.01Å; V261-L291 HydrophobicContact CB-CD2 3.99Å; V261-L291 HydrophobicContact CG1-CD1 3.71Å; V261-L291 HydrophobicContact CG1-CD2 3.89Å; V261-L291 HydrophobicContact CG1-CG 4.45Å; V261-L291 HydrophobicContact CG2-CD1 4.35Å; V261-I296 HydrophobicContact CG1-CD1 3.9Å; V261-I296 HydrophobicContact CG1-CG2 4.2Å
262T98.8Very high98.7Very high65 Ų6550.7 Ų50.740%0.39927%0.267SS..Hα-helixtrans-57.2-35.5172.8-620000111.7I258 S259 W260 L264 A265 L294I258-T262 VanDerWaalsContact O-CB 3.27Å; I258-T262 WeakPolarHBondContact O-CB 3.31Å; I258-T262 PolarHBondContact O-N 3.14Å; I258-T262 PolarHBondContact O-OG1 3.35Å; S259-T262 PolarHBondContact O-N 3.09Å; W260-T262 VanDerWaalsContact C-N 3.32Å; W260-T262 PolarHBondContact O-N 2.82Å; T262-L264 VanDerWaalsContact C-N 3.28Å; T262-L264 PolarHBondContact O-N 3.12Å; T262-A265 WeakPolarHBondContact O-CB 3.4Å; T262-A265 PolarHBondContact O-N 3.35Å; T262-L294 HydrophobicContact CG2-CD1 4.23Å
263R98.6Very high98.7Very high144 Ų14450.5 Ų50.554%0.54327%0.266SS..Hα-helixtrans-73-18.8176.6-61.9-61.3-60.3-81.4-4.3113.6L224 S259 W260 V261L224-R263 HydrophobicContact CD1-CB 4.01Å; L224-R263 HydrophobicContact CD2-CG 4.35Å; S259-R263 WeakPolarHBondContact O-CG 3.33Å; S259-R263 PolarHBondContact O-N 3.4Å; W260-R263 WeakPolarHBondContact O-CB 3.47Å; W260-R263 PolarHBondContact O-N 3.31Å; V261-R263 PolarHBondContact O-N 3.46Å
264L98.6Very high98.7Very high1 Ų144.4 Ų44.41%0.00523%0.234CC..Hα-helixtrans-96.9-3.8175.7-59.4177.1000112.7V220 D227 I228 I246 W260 V261 T262 E266 V267V220-L264 HydrophobicContact CB-CD1 4.49Å; V220-L264 HydrophobicContact CG1-CD1 4.22Å; D227-L264 HydrophobicContact CB-CD1 4.36Å; D227-L264 HydrophobicContact CB-CD2 4.1Å; I228-L264 HydrophobicContact CB-CD2 4.46Å; I228-L264 HydrophobicContact CG1-CD2 3.73Å; I246-L264 HydrophobicContact CD1-CB 4.42Å; I246-L264 HydrophobicContact CD1-CD1 3.87Å; W260-L264 PolarHBondContact O-N 3Å; V261-L264 CarbonylContact O-C 2.95Å; V261-L264 WeakPolarHBondContact O-CA 3.45Å; V261-L264 PolarHBondContact O-N 3.44Å; T262-L264 VanDerWaalsContact C-N 3.28Å; T262-L264 PolarHBondContact O-N 3.12Å; L264-E266 PolarHBondContact O-N 2.94Å; L264-V267 WeakPolarHBondContact O-CG2 3.44Å; L264-V267 PolarHBondContact O-N 3.22Å
265A98.4Very high98.7Very high25 Ų2542.4 Ų42.421%0.20722%0.222CC..G310 helixtrans-59-25.3-175.500000114.2V261 T262 V267 K268 L294 I296V261-A265 PolarHBondContact O-N 3.35Å; V261-A265 VanDerWaalsContact O-N 3.08Å; T262-A265 WeakPolarHBondContact O-CB 3.4Å; T262-A265 PolarHBondContact O-N 3.35Å; A265-V267 PolarHBondContact O-N 3.49Å; A265-K268 PolarHBondContact O-N 2.88Å; A265-L294 HydrophobicContact CB-CD1 4.11Å; A265-I296 HydrophobicContact CB-CD1 3.96Å
266E97.8Very high98.7Very high103 Ų10339 Ų3948%0.48119%0.193SC..G310 helixtrans-61.1-27.7177.775.9-173.1149.500113.1R232 L264 K268R232-E266 IonicContact CZ-OE1 3.03Å; R232-E266 IonicContact CZ-OE2 3.5Å; R232-E266 VanDerWaalsContact NE-CD 3.31Å; R232-E266 IonicContact NE-OE1 2.69Å; R232-E266 PolarHBondContact NE-OE1 3Å; R232-E266 IonicContact NE-OE2 3.41Å; R232-E266 PolarHBondContact NE-OE2 2.82Å; R232-E266 IonicContact NH2-OE1 2.65Å; R232-E266 PolarHBondContact NH2-OE1 2.95Å; R232-E266 IonicContact NH2-OE2 2.81Å; R232-E266 PolarHBondContact NH2-OE2 3.49Å; L264-E266 PolarHBondContact O-N 2.94Å; E266-K268 PolarHBondContact O-N 3.09Å
267V97.9Very high98.7Very high5 Ų537.2 Ų37.23%0.0319%0.19CC..G310 helixtrans-85.61.3177.5-57.50000112.7C231 R232 R235 L244 L264 A265C231-V267 HydrophobicContact CB-CG1 4.08Å; C231-V267 HydrophobicContact CB-CG2 3.94Å; R232-V267 HydrophobicContact CG-CG1 4.15Å; R235-V267 HydrophobicContact CB-CB 4.25Å; R235-V267 HydrophobicContact CB-CG1 4.23Å; R235-V267 HydrophobicContact CG-CB 4.4Å; R235-V267 VanDerWaalsContact CZ-O 3.28Å; R235-V267 PolarHBondContact NE-O 3.05Å; R235-V267 PolarHBondContact NH2-O 2.8Å; L244-V267 HydrophobicContact CD2-CB 4.02Å; L244-V267 HydrophobicContact CD2-CG2 3.84Å; L264-V267 WeakPolarHBondContact O-CG2 3.44Å; L264-V267 PolarHBondContact O-N 3.22Å; A265-V267 PolarHBondContact O-N 3.49Å
268K98.5Very high98.6Very high168 Ų16837.8 Ų37.873%0.7319%0.194SC*.  trans49.661.4175.9-56.7-178.7-179-177.60112.6R235 A265 E266R235-K268 PolarHBondContact NH2-O 3.31Å; A265-K268 PolarHBondContact O-N 2.88Å; E266-K268 PolarHBondContact O-N 3.09Å
269P98.6Very high98.6Very high3 Ų339.7 Ų39.72%0.01920%0.204CC..  trans-67140174.230.9-32.3000109.9L244 I246 I296L244-P269 CarbonylContact O-C 3.49Å; L244-P269 VanDerWaalsContact O-CA 3.31Å; L244-P269 WeakPolarHBondContact O-CA 3.33Å; I246-P269 HydrophobicContact CD1-CB 4.28Å; I246-P269 HydrophobicContact CD1-CG 4.12Å; I246-P269 HydrophobicContact CG1-CB 4.02Å; I246-P269 HydrophobicContact CG1-CG 4.38Å; I246-P269 HydrophobicContact CG2-CB 4.07Å; P269-I296 HydrophobicContact CG-CD1 3.84Å; P269-I296 HydrophobicContact CG-CG1 3.98Å; P269-I296 HydrophobicContact CG-CG2 4.05Å
270L98.8Very high98.6Very high57 Ų5738.8 Ų38.830%0.29819%0.194SC..SBendtrans-64.4-44.4173.2173.964.7000110.4T243 L244 M245 G297 F321 M381T243-L270 HydrophobicContact CG2-CB 3.87Å; T243-L270 HydrophobicContact CG2-CD2 3.6Å; T243-L270 HydrophobicContact CG2-CG 4.34Å; L244-L270 PolarHBondContact O-N 3.22Å; M245-L270 HydrophobicContact CG-CB 4.22Å; L270-G297 PolarHBondContact O-N 3.08Å; L270-F321 HydrophobicContact CD1-CE2 4.49Å; L270-F321 HydrophobicContact CD1-CZ 3.85Å; L270-F321 HydrophobicContact CD2-CE1 4.38Å; L270-F321 HydrophobicContact CD2-CZ 4.15Å; L270-F321 HydrophobicContact CG-CE2 4.27Å; L270-F321 HydrophobicContact CG-CZ 3.86Å; L270-M381 HydrophobicContact CD2-CE 4.17Å
271W98.9Very high98.6Very high0 Ų038 Ų380%019%0.192CC..EExtended strand (participates in β ladder)trans-141.515917571.270.4000112.7Y187 M245 I246 E273 G297 A299 F321 C350 M381Y187-W271 HydrophobicContact CD1-CH2 4.48Å; Y187-W271 HydrophobicContact CE1-CH2 4.06Å; Y187-W271 HydrophobicContact CE1-CZ2 4.32Å; Y187-W271 HydrophobicContact CE2-CZ2 4.44Å; Y187-W271 AromaticContact CZ-CZ2 4Å; M245-W271 HydrophobicContact CB-CD2 3.88Å; M245-W271 HydrophobicContact CB-CE3 4.5Å; M245-W271 HydrophobicContact CB-CG 4.23Å; M245-W271 HydrophobicContact CB-CH2 4.45Å; M245-W271 HydrophobicContact CB-CZ2 3.84Å; M245-W271 HydrophobicContact CE-CH2 3.44Å; M245-W271 VanDerWaalsContact CE-CH2 3.44Å; M245-W271 HydrophobicContact CE-CZ2 3.74Å; M245-W271 HydrophobicContact CE-CZ3 4.08Å; M245-W271 HydrophobicContact CG-CD2 3.51Å; M245-W271 VanDerWaalsContact CG-CE2 3.47Å; M245-W271 HydrophobicContact CG-CE3 3.63Å; M245-W271 HydrophobicContact CG-CG 4.22Å; M245-W271 HydrophobicContact CG-CH2 3.69Å; M245-W271 HydrophobicContact CG-CZ2 3.57Å; M245-W271 HydrophobicContact CG-CZ3 3.71Å; M245-W271 HydrophobicContact SD-CH2 4.32Å; M245-W271 HydrophobicContact SD-CZ3 4.46Å; I246-W271 WeakPolarHBondContact CG1-O 3.48Å; I246-W271 PolarHBondContact N-O 2.91Å; I246-W271 VanDerWaalsContact N-O 3.08Å; W271-E273 PolarHBondContact NE1-OE2 2.85Å; W271-G297 CarbonylContact C-O 2.96Å; W271-G297 WeakPolarHBondContact CA-O 3.13Å; W271-G297 WeakPolarHBondContact CB-O 3.36Å; W271-A299 HydrophobicContact CB-CB 4.1Å; W271-A299 HydrophobicContact CD2-CB 4.01Å; W271-A299 HydrophobicContact CG-CB 3.66Å; W271-F321 HydrophobicContact CB-CD2 3.87Å; W271-F321 HydrophobicContact CB-CE2 3.98Å; W271-F321 HydrophobicContact CD2-CD2 4.37Å; W271-F321 HydrophobicContact CE3-CD1 4.17Å; W271-F321 AromaticContact CE3-CD2 3.95Å; W271-F321 HydrophobicContact CE3-CD2 3.95Å; W271-F321 HydrophobicContact CE3-CE1 4.35Å; W271-F321 HydrophobicContact CE3-CE2 4.13Å; W271-F321 AromaticContact CE3-CG 3.98Å; W271-F321 HydrophobicContact CE3-CG 3.98Å; W271-F321 HydrophobicContact CE3-CZ 4.34Å; W271-F321 HydrophobicContact CG-CD2 4.41Å; W271-F321 HydrophobicContact CZ3-CD1 4.37Å; W271-F321 HydrophobicContact CZ3-CG 4.49Å; W271-C350 HydrophobicContact CH2-CB 4.32Å; W271-M381 HydrophobicContact CH2-CG 4.28Å; W271-M381 HydrophobicContact CH2-SD 4.06Å; W271-M381 HydrophobicContact CZ3-CE 4.4Å; W271-M381 HydrophobicContact CZ3-CG 4.5Å; W271-M381 HydrophobicContact CZ3-SD 3.99Å
272I98.9Very high98.7Very high0 Ų044.5 Ų44.50%023%0.226CC..EExtended strand (participates in β ladder)trans-101.1128.2153.4174.163.1000109.3V220 I246 A248 W252 V261 P275 L291 I296 G297 V298 A299V220-I272 HydrophobicContact CG2-CD1 4.31Å; I246-I272 HydrophobicContact CD1-CB 4.25Å; I246-I272 HydrophobicContact CD1-CD1 3.88Å; I246-I272 HydrophobicContact CG1-CB 4.05Å; I246-I272 HydrophobicContact CG1-CD1 3.68Å; I246-I272 HydrophobicContact CG1-CG1 4.45Å; I246-I272 CarbonylContact O-C 3.58Å; I246-I272 WeakPolarHBondContact O-CA 3.42Å; A248-I272 HydrophobicContact CB-CD1 3.89Å; W252-I272 HydrophobicContact CH2-CD1 4.11Å; W252-I272 HydrophobicContact CZ3-CD1 3.75Å; W252-I272 HydrophobicContact CZ3-CG1 4.15Å; V261-I272 HydrophobicContact CG1-CB 4.34Å; V261-I272 HydrophobicContact CG1-CG2 4.35Å; V261-I272 HydrophobicContact CG2-CB 4.03Å; V261-I272 HydrophobicContact CG2-CD1 4.12Å; V261-I272 HydrophobicContact CG2-CG1 3.76Å; V261-I272 HydrophobicContact CG2-CG2 4.26Å; I272-P275 HydrophobicContact CG1-CB 3.81Å; I272-P275 HydrophobicContact CG1-CG 4.45Å; I272-L291 HydrophobicContact CG2-CD1 3.52Å; I272-I296 HydrophobicContact CG2-CG2 4.29Å; I272-G297 PolarHBondContact N-O 2.86Å; I272-V298 HydrophobicContact CG2-CG2 4.11Å; I272-V298 WeakPolarHBondContact O-CA 3.32Å; I272-A299 PolarHBondContact O-N 2.88Å
273E98.9Very high98.7Very high0 Ų041.5 Ų41.50%021%0.208CC..EExtended strand (participates in β ladder)trans-101.1138.3179.5169.4167.317000111.3K217 I246 D247 A248 W271 A299 Q323K217-E273 WeakPolarHBondContact CD-OE2 3.44Å; K217-E273 VanDerWaalsContact NZ-CD 3.26Å; K217-E273 IonicContact NZ-OE1 3.3Å; K217-E273 PolarHBondContact NZ-OE1 2.64Å; K217-E273 IonicContact NZ-OE2 3.58Å; K217-E273 PolarHBondContact NZ-OE2 2.96Å; I246-E273 PolarHBondContact O-N 2.81Å; D247-E273 HydrophobicContact CB-CB 3.84Å; D247-E273 HydrophobicContact CB-CG 4.04Å; A248-E273 PolarHBondContact N-O 2.75Å; W271-E273 PolarHBondContact NE1-OE2 2.85Å; E273-A299 VanDerWaalsContact CA-O 3.31Å; E273-A299 WeakPolarHBondContact CA-O 3.29Å; E273-A299 HydrophobicContact CB-CB 4.2Å; E273-Q323 VanDerWaalsContact CD-OE1 3.31Å; E273-Q323 VanDerWaalsContact CG-OE1 3.24Å; E273-Q323 PolarHBondContact OE1-NE2 2.92Å; E273-Q323 VanDerWaalsContact OE1-NE2 3.07Å; E273-Q323 PolarHBondContact OE2-NE2 3.5Å
274E98.8Very high98.7Very high0 Ų034.7 Ų34.70%018%0.182CC..  trans3760.7-176.7-61.7-154133.500112.8Q250 T276 A299 E302Q250-E274 WeakPolarHBondContact CA-O 3.24Å; Q250-E274 HydrophobicContact CG-CB 3.9Å; Q250-E274 HydrophobicContact CG-CG 4.48Å; Q250-E274 WeakPolarHBondContact CG-OE2 3.31Å; Q250-E274 PolarHBondContact N-O 3.06Å; Q250-E274 PolarHBondContact NE2-OE2 3.41Å; E274-T276 PolarHBondContact O-N 2.75Å; E274-A299 PolarHBondContact N-O 3.07Å; E274-E302 HydrophobicContact CG-CG 4.23Å; E274-E302 VanDerWaalsContact OE1-CG 3.3Å; E274-E302 WeakPolarHBondContact OE1-CG 3.49Å; E274-E302 WeakPolarHBondContact OE2-CG 3.36Å
275P98.8Very high98.7Very high0 Ų035.7 Ų35.70%019%0.191CC..  trans-64.9-23.1-177.926.5-36.2000113.6W252 A257 I272 I287 V298W252-P275 WeakPolarHBondContact CB-O 3.24Å; W252-P275 HydrophobicContact CE3-CB 4.33Å; W252-P275 PolarHBondContact N-O 3.04Å; A257-P275 HydrophobicContact CB-CB 4Å; I272-P275 HydrophobicContact CG1-CB 3.81Å; I272-P275 HydrophobicContact CG1-CG 4.45Å; P275-I287 HydrophobicContact CB-CD1 3.97Å; P275-I287 HydrophobicContact CB-CG2 4.27Å; P275-I287 HydrophobicContact CG-CD1 3.83Å; P275-I287 HydrophobicContact CG-CG2 4.12Å; P275-V298 HydrophobicContact CG-CG1 4.26Å
276T98.9Very high98.7Very high6 Ų636.6 Ų36.64%0.03720%0.198CC..SBendtrans-147.2-175.8-178.5-175.50000109.5Q250 W252 E274 D280 H284 I287Q250-T276 WeakPolarHBondContact CA-O 3.48Å; W252-T276 WeakPolarHBondContact O-CA 3.39Å; W252-T276 WeakPolarHBondContact O-CB 3.31Å; W252-T276 PolarHBondContact O-OG1 3.23Å; E274-T276 PolarHBondContact O-N 2.75Å; T276-D280 HydrophobicContact CG2-CB 4.3Å; T276-H284 VanDerWaalsContact CG2-CE1 3.46Å; T276-H284 WeakPolarHBondContact CG2-CE1 3.34Å; T276-H284 WeakPolarHBondContact CG2-ND1 3.46Å; T276-I287 HydrophobicContact CG2-CD1 3.72Å
277S98.8Very high98.8Very high49 Ų4931.7 Ų31.734%0.34318%0.175SC..  trans-42.7134.8176.7176.70000113.2D279 D280 H284S277-D279 PolarHBondContact O-N 2.87Å; S277-D279 VanDerWaalsContact O-N 3.07Å; S277-D279 PolarHBondContact OG-N 3.16Å; S277-D280 PolarHBondContact O-N 3.11Å; S277-H284 PolarHBondContact O-CE1 2.79Å
278P98.6Very high98.8Very high12 Ų1231.8 Ų31.88%0.07818%0.176CC..THydrogen-bonded Turntrans-69.6-8.3-178.731.3-35.4000112.6Q250 Q303 F313Q250-P278 VanDerWaalsContact CD-CD 3.49Å; P278-Q303 HydrophobicContact CB-CB 3.96Å; P278-Q303 HydrophobicContact CG-CB 4.01Å; P278-F313 WeakPolarHBondContact O-CE2 3.43Å; P278-F313 VanDerWaalsContact O-CZ 3.31Å; P278-F313 WeakPolarHBondContact O-CZ 3.45Å
279D98.8Very high98.8Very high85 Ų8532 Ų3246%0.45518%0.177SC..THydrogen-bonded Turntrans-94.8-14.7175.2-67.1-31.5000112.9S277 I281 H305 M309S277-D279 PolarHBondContact O-N 2.87Å; S277-D279 VanDerWaalsContact O-N 3.07Å; S277-D279 PolarHBondContact OG-N 3.16Å; D279-I281 PolarHBondContact O-N 3.38Å; D279-I281 VanDerWaalsContact O-N 3.07Å; D279-H305 IonicContact OD1-CD2 2.75Å; D279-H305 PolarHBondContact OD1-CD2 3.38Å; D279-H305 VanDerWaalsContact OD1-CD2 3.31Å; D279-H305 IonicContact OD1-NE2 3.04Å; D279-M309 HydrophobicContact CB-CE 4.13Å
280D98.8Very high98.8Very high59 Ų5933.8 Ų33.832%0.31619%0.192SC..  trans-88.675.7-173.4-168.65.2000112.3T276 S277 L282 G283 H284T276-D280 HydrophobicContact CG2-CB 4.3Å; S277-D280 PolarHBondContact O-N 3.11Å; D280-L282 VanDerWaalsContact C-N 3.29Å; D280-L282 PolarHBondContact O-N 3.46Å; D280-L282 PolarHBondContact OD1-N 3.3Å; D280-G283 PolarHBondContact O-N 2.59Å; D280-G283 WeakPolarHBondContact OD1-CA 3.49Å; D280-G283 PolarHBondContact OD1-N 2.9Å; D280-G283 WeakPolarHBondContact OD2-CA 3.37Å; D280-H284 PolarHBondContact O-N 3.44Å; D280-H284 PolarHBondContact O-ND1 3.45Å
281I98.9Very high98.8Very high16 Ų1631 Ų318%0.08218%0.178CC..Hα-helixtrans-56.8-42.3176.8-67.4145.3000111.8D279 A285 M309 Q312 F313 A316 A318D279-I281 PolarHBondContact O-N 3.38Å; D279-I281 VanDerWaalsContact O-N 3.07Å; I281-A285 PolarHBondContact O-N 3.22Å; I281-M309 HydrophobicContact CD1-CE 3.7Å; I281-M309 HydrophobicContact CD1-SD 4.05Å; I281-M309 HydrophobicContact CG1-CE 4.27Å; I281-Q312 HydrophobicContact CD1-CB 3.51Å; I281-Q312 HydrophobicContact CD1-CG 4.37Å; I281-Q312 HydrophobicContact CG1-CB 4.24Å; I281-Q312 HydrophobicContact CG2-CB 4.28Å; I281-F313 HydrophobicContact CB-CD1 4.28Å; I281-F313 HydrophobicContact CB-CE1 4.25Å; I281-F313 HydrophobicContact CG1-CD1 3.91Å; I281-F313 HydrophobicContact CG1-CD2 3.89Å; I281-F313 HydrophobicContact CG1-CE1 3.85Å; I281-F313 HydrophobicContact CG1-CE2 3.82Å; I281-F313 HydrophobicContact CG1-CG 3.93Å; I281-F313 HydrophobicContact CG1-CZ 3.8Å; I281-F313 HydrophobicContact CG2-CD1 4.33Å; I281-A316 HydrophobicContact CG2-CB 3.74Å; I281-A318 HydrophobicContact CG2-CB 4.36Å; I281-A318 WeakPolarHBondContact O-CB 3.37Å
282L98.9Very high98.8Very high136 Ų13634 Ų3471%0.71220%0.202SC*.Hα-helixtrans-74.3-35.9-177.2-61.5-177.6000111.4D280 A285 A286D280-L282 VanDerWaalsContact C-N 3.29Å; D280-L282 PolarHBondContact O-N 3.46Å; D280-L282 PolarHBondContact OD1-N 3.3Å; L282-A285 PolarHBondContact O-N 3.35Å; L282-A286 WeakPolarHBondContact O-CB 3.18Å; L282-A286 PolarHBondContact O-N 2.74Å
283G98.9Very high98.8Very high3 Ų339.3 Ų39.33%0.03124%0.236CC..Hα-helixtrans-61.2-48.3171.400000111.9V254 D280 A285 A286 I287V254-G283 VanDerWaalsContact CG2-CA 3.41Å; D280-G283 PolarHBondContact O-N 2.59Å; D280-G283 WeakPolarHBondContact OD1-CA 3.49Å; D280-G283 PolarHBondContact OD1-N 2.9Å; D280-G283 WeakPolarHBondContact OD2-CA 3.37Å; G283-A285 VanDerWaalsContact C-N 3.32Å; G283-A285 PolarHBondContact O-N 3.31Å; G283-A286 PolarHBondContact O-N 2.59Å; G283-A286 VanDerWaalsContact O-N 3.15Å; G283-I287 WeakPolarHBondContact O-CD1 3.3Å; G283-I287 VanDerWaalsContact O-CG1 3.22Å; G283-I287 WeakPolarHBondContact O-CG1 3.36Å; G283-I287 PolarHBondContact O-N 2.84Å
284H98.9Very high98.8Very high0 Ų043.2 Ų43.20%026%0.257CS..Hα-helixtrans-57.6-42.8173.9-79.280.6000112.1T276 S277 D280 A286 I287 S288 F313 A318T276-H284 VanDerWaalsContact CG2-CE1 3.46Å; T276-H284 WeakPolarHBondContact CG2-CE1 3.34Å; T276-H284 WeakPolarHBondContact CG2-ND1 3.46Å; S277-H284 PolarHBondContact O-CE1 2.79Å; D280-H284 PolarHBondContact O-N 3.44Å; D280-H284 PolarHBondContact O-ND1 3.45Å; H284-A286 PolarHBondContact O-N 3.11Å; H284-I287 PolarHBondContact O-N 2.99Å; H284-S288 VanDerWaalsContact O-CB 3.24Å; H284-S288 WeakPolarHBondContact O-CB 3.15Å; H284-S288 PolarHBondContact O-N 2.65Å; H284-F313 HydrophobicContact CB-CD1 4.33Å; H284-F313 HydrophobicContact CB-CE1 3.86Å; H284-F313 AromaticContact CG-CE1 3.71Å; H284-F313 AromaticContact ND1-CE1 3.78Å; H284-A318 CarbonylContact C-O 3.58Å; H284-A318 HydrophobicContact CB-CB 3.99Å
285A98.9Very high98.8Very high22 Ų2246.1 Ų46.118%0.18229%0.287CS..Hα-helixtrans-62.9-41.117500000113.3I281 L282 G283 K289 A316 A318I281-A285 PolarHBondContact O-N 3.22Å; L282-A285 PolarHBondContact O-N 3.35Å; G283-A285 VanDerWaalsContact C-N 3.32Å; G283-A285 PolarHBondContact O-N 3.31Å; A285-K289 WeakPolarHBondContact O-CB 3.34Å; A285-K289 PolarHBondContact O-N 2.93Å; A285-A316 HydrophobicContact CB-CB 4.42Å; A285-A318 HydrophobicContact CB-CB 3.89Å
286A98.9Very high98.8Very high45 Ų4546.3 Ų46.337%0.37229%0.288SS..Hα-helixtrans-64.8-44176.500000111.7V254 L282 G283 H284 A290V254-A286 HydrophobicContact CG1-CB 3.94Å; L282-A286 WeakPolarHBondContact O-CB 3.18Å; L282-A286 PolarHBondContact O-N 2.74Å; G283-A286 PolarHBondContact O-N 2.59Å; G283-A286 VanDerWaalsContact O-N 3.15Å; H284-A286 PolarHBondContact O-N 3.11Å; A286-A290 WeakPolarHBondContact O-CB 3Å; A286-A290 PolarHBondContact O-N 2.69Å; A286-A290 VanDerWaalsContact O-N 3.09Å
287I98.9Very high98.8Very high0 Ų046.5 Ų46.50%029%0.291CS..Hα-helixtrans-62.7-49.8176.2-64.8159.7000110.1V254 A257 I258 P275 T276 G283 H284 K289 A290 L291 V298V254-I287 HydrophobicContact CG1-CG1 4.05Å; V254-I287 HydrophobicContact CG2-CD1 4.45Å; A257-I287 HydrophobicContact CB-CD1 3.8Å; A257-I287 HydrophobicContact CB-CG1 4.11Å; I258-I287 HydrophobicContact CG1-CB 4.46Å; I258-I287 HydrophobicContact CG1-CG1 4.15Å; P275-I287 HydrophobicContact CB-CD1 3.97Å; P275-I287 HydrophobicContact CB-CG2 4.27Å; P275-I287 HydrophobicContact CG-CD1 3.83Å; P275-I287 HydrophobicContact CG-CG2 4.12Å; T276-I287 HydrophobicContact CG2-CD1 3.72Å; G283-I287 WeakPolarHBondContact O-CD1 3.3Å; G283-I287 VanDerWaalsContact O-CG1 3.22Å; G283-I287 WeakPolarHBondContact O-CG1 3.36Å; G283-I287 PolarHBondContact O-N 2.84Å; H284-I287 PolarHBondContact O-N 2.99Å; I287-K289 VanDerWaalsContact C-N 3.34Å; I287-K289 PolarHBondContact O-N 2.73Å; I287-A290 PolarHBondContact O-N 3.49Å; I287-A290 VanDerWaalsContact O-N 3.1Å; I287-L291 HydrophobicContact CG2-CD1 3.56Å; I287-L291 HydrophobicContact CG2-CG 4.15Å; I287-L291 WeakPolarHBondContact O-CB 3.34Å; I287-L291 WeakPolarHBondContact O-CG 3.21Å; I287-L291 PolarHBondContact O-N 3.06Å; I287-V298 HydrophobicContact CG2-CG2 4Å
288S98.8Very high98.8Very high7 Ų744.1 Ų44.15%0.04928%0.275CS..Hα-helixtrans-55.1-48.7178.4176.90000111.6H284 A290 L291 A292 Q320H284-S288 VanDerWaalsContact O-CB 3.24Å; H284-S288 WeakPolarHBondContact O-CB 3.15Å; H284-S288 PolarHBondContact O-N 2.65Å; S288-A290 VanDerWaalsContact C-N 3.31Å; S288-A290 PolarHBondContact O-N 2.7Å; S288-L291 PolarHBondContact O-N 2.65Å; S288-A292 WeakPolarHBondContact O-CB 3.34Å; S288-A292 PolarHBondContact O-N 3.07Å; S288-Q320 PolarHBondContact OG-NE2 3.18Å; S288-Q320 PolarHBondContact OG-OE1 2.91Å
289K98.9Very high98.8Very high172 Ų17243.6 Ų43.675%0.74827%0.271SS*.Hα-helixtrans-60.5-39.6177.4-176.6178.2178.6-179.60112.7A285 I287A285-K289 WeakPolarHBondContact O-CB 3.34Å; A285-K289 PolarHBondContact O-N 2.93Å; I287-K289 VanDerWaalsContact C-N 3.34Å; I287-K289 PolarHBondContact O-N 2.73Å
290A98.8Very high98.8Very high40 Ų4039.5 Ų39.533%0.33125%0.249SC..Hα-helixtrans-73.2-33-17900000113I258 A286 I287 S288 P293I258-A290 HydrophobicContact CD1-CB 3.61Å; I258-A290 HydrophobicContact CG1-CB 3.8Å; I258-A290 HydrophobicContact CG2-CB 3.9Å; A286-A290 WeakPolarHBondContact O-CB 3Å; A286-A290 PolarHBondContact O-N 2.69Å; A286-A290 VanDerWaalsContact O-N 3.09Å; I287-A290 PolarHBondContact O-N 3.49Å; I287-A290 VanDerWaalsContact O-N 3.1Å; S288-A290 VanDerWaalsContact C-N 3.31Å; S288-A290 PolarHBondContact O-N 2.7Å; A290-P293 WeakPolarHBondContact O-CD 3.34Å
291L98.8Very high98.8Very high0 Ų036.8 Ų36.80%024%0.235CC..Hα-helixtrans-89.3-20.6-177.5-64.1-178.1000113.9V261 I272 I287 S288 P293 L294 G295 I296V261-L291 HydrophobicContact CB-CD1 4.01Å; V261-L291 HydrophobicContact CB-CD2 3.99Å; V261-L291 HydrophobicContact CG1-CD1 3.71Å; V261-L291 HydrophobicContact CG1-CD2 3.89Å; V261-L291 HydrophobicContact CG1-CG 4.45Å; V261-L291 HydrophobicContact CG2-CD1 4.35Å; I272-L291 HydrophobicContact CG2-CD1 3.52Å; I287-L291 HydrophobicContact CG2-CD1 3.56Å; I287-L291 HydrophobicContact CG2-CG 4.15Å; I287-L291 WeakPolarHBondContact O-CB 3.34Å; I287-L291 WeakPolarHBondContact O-CG 3.21Å; I287-L291 PolarHBondContact O-N 3.06Å; S288-L291 PolarHBondContact O-N 2.65Å; L291-P293 VanDerWaalsContact C-CD 3.46Å; L291-L294 HydrophobicContact CD2-CD1 4.22Å; L291-L294 WeakPolarHBondContact O-CA 3.36Å; L291-L294 WeakPolarHBondContact O-CB 3.41Å; L291-L294 PolarHBondContact O-N 3.25Å; L291-G295 PolarHBondContact O-N 3.18Å; L291-I296 HydrophobicContact CB-CB 4.31Å; L291-I296 PolarHBondContact O-N 3.43Å
292A98.5Very high98.8Very high61 Ų6136.9 Ų36.950%0.50424%0.235SC..G310 helixtrans-52.9-40.917900000114.6S288 L294 G295S288-A292 WeakPolarHBondContact O-CB 3.34Å; S288-A292 PolarHBondContact O-N 3.07Å; A292-L294 PolarHBondContact O-N 3.43Å; A292-G295 PolarHBondContact O-N 2.94Å
293P98.6Very high98.8Very high112 Ų11232.6 Ų32.673%0.72721%0.211SC*.G310 helixtrans-62.6-21175.1-23.635.4000114.5A290 L291 G295A290-P293 WeakPolarHBondContact O-CD 3.34Å; L291-P293 VanDerWaalsContact C-CD 3.46Å; P293-G295 VanDerWaalsContact C-N 3.31Å
294L98.6Very high98.7Very high82 Ų8232.4 Ų32.443%0.42921%0.21SC..G310 helixtrans-87.5-3.2175.2-55.1178.4000112.3T262 A265 L291 A292 I296T262-L294 HydrophobicContact CG2-CD1 4.23Å; A265-L294 HydrophobicContact CB-CD1 4.11Å; L291-L294 HydrophobicContact CD2-CD1 4.22Å; L291-L294 WeakPolarHBondContact O-CA 3.36Å; L291-L294 WeakPolarHBondContact O-CB 3.41Å; L291-L294 PolarHBondContact O-N 3.25Å; A292-L294 PolarHBondContact O-N 3.43Å; L294-I296 VanDerWaalsContact C-N 3.33Å; L294-I296 HydrophobicContact CB-CD1 3.99Å; L294-I296 HydrophobicContact CB-CG1 4.15Å; L294-I296 HydrophobicContact CD1-CD1 4.44Å
295G98.4Very high98.7Very high61 Ų6133.3 Ų33.363%0.62921%0.214SC*.THydrogen-bonded Turntrans73.822-177.100000114L291 A292 P293L291-G295 PolarHBondContact O-N 3.18Å; A292-G295 PolarHBondContact O-N 2.94Å; P293-G295 VanDerWaalsContact C-N 3.31Å
296I98.9Very high98.7Very high4 Ų432.8 Ų32.82%0.02121%0.208CC..  trans-107.2119.6-178.3-54.3169.8000108.3V261 A265 P269 I272 L291 L294V261-I296 HydrophobicContact CG1-CD1 3.9Å; V261-I296 HydrophobicContact CG1-CG2 4.2Å; A265-I296 HydrophobicContact CB-CD1 3.96Å; P269-I296 HydrophobicContact CG-CD1 3.84Å; P269-I296 HydrophobicContact CG-CG1 3.98Å; P269-I296 HydrophobicContact CG-CG2 4.05Å; I272-I296 HydrophobicContact CG2-CG2 4.29Å; L291-I296 HydrophobicContact CB-CB 4.31Å; L291-I296 PolarHBondContact O-N 3.43Å; L294-I296 VanDerWaalsContact C-N 3.33Å; L294-I296 HydrophobicContact CB-CD1 3.99Å; L294-I296 HydrophobicContact CB-CG1 4.15Å; L294-I296 HydrophobicContact CD1-CD1 4.44Å
297G98.8Very high98.7Very high10 Ų1030.7 Ų30.710%0.10319%0.19CC..EExtended strand (participates in β ladder)trans-80.4167.5174.300000112.7L270 W271 I272L270-G297 PolarHBondContact O-N 3.08Å; W271-G297 CarbonylContact C-O 2.96Å; W271-G297 WeakPolarHBondContact CA-O 3.13Å; W271-G297 WeakPolarHBondContact CB-O 3.36Å; I272-G297 PolarHBondContact N-O 2.86Å
298V98.9Very high98.7Very high0 Ų032.3 Ų32.30%020%0.2CC..EExtended strand (participates in β ladder)trans-106.4132.7169.6172.10000109.5I272 P275 I287 L319 Q320 F321I272-V298 HydrophobicContact CG2-CG2 4.11Å; I272-V298 WeakPolarHBondContact O-CA 3.32Å; P275-V298 HydrophobicContact CG-CG1 4.26Å; I287-V298 HydrophobicContact CG2-CG2 4Å; V298-L319 HydrophobicContact CG1-CB 4.35Å; V298-L319 CarbonylContact O-C 3.48Å; V298-L319 WeakPolarHBondContact O-CA 3.34Å; V298-Q320 PolarHBondContact O-N 3.35Å; V298-F321 PolarHBondContact O-N 2.88Å
299A98.9Very high98.7Very high0 Ų032.9 Ų32.90%020%0.202CC..EExtended strand (participates in β ladder)trans-115.6143.7170.500000109.5W271 I272 E273 E274 F321 Q323W271-A299 HydrophobicContact CB-CB 4.1Å; W271-A299 HydrophobicContact CD2-CB 4.01Å; W271-A299 HydrophobicContact CG-CB 3.66Å; I272-A299 PolarHBondContact O-N 2.88Å; E273-A299 VanDerWaalsContact CA-O 3.31Å; E273-A299 WeakPolarHBondContact CA-O 3.29Å; E273-A299 HydrophobicContact CB-CB 4.2Å; E274-A299 PolarHBondContact N-O 3.07Å; A299-F321 WeakPolarHBondContact CA-O 3.47Å; A299-F321 HydrophobicContact CB-CB 3.88Å; A299-F321 HydrophobicContact CB-CD2 4.49Å; A299-Q323 VanDerWaalsContact C-OE1 3.32Å; A299-Q323 HydrophobicContact CB-CG 4.19Å
300S98.8Very high98.7Very high0 Ų024.8 Ų24.80%017%0.167CC..EExtended strand (participates in β ladder)trans-163.2156.8172.3-177.50000110F321 Q323S300-F321 PolarHBondContact N-O 2.8Å; S300-Q323 VanDerWaalsContact N-OE1 3.12Å; S300-Q323 PolarHBondContact O-N 3.4Å
301G98.6Very high98.7Very high1 Ų123.9 Ų23.91%0.0116%0.156CC..  trans151.8-13.2164.600000116.9Q303 C304 Q323G301-Q303 PolarHBondContact O-N 3.15Å; G301-Q303 VanDerWaalsContact O-N 3.13Å; G301-C304 VanDerWaalsContact O-CB 3.3Å; G301-C304 WeakPolarHBondContact O-CB 3.16Å; G301-C304 PolarHBondContact O-N 3Å; G301-Q323 CarbonylContact C-O 3.5Å; G301-Q323 WeakPolarHBondContact CA-O 3.23Å
302E98.3Very high98.7Very high18 Ų1827.5 Ų27.58%0.08417%0.173CC..THydrogen-bonded Turntrans-57.6-30.7-178.158165-92.200113.4E274 Q323 R328 H352E274-E302 HydrophobicContact CG-CG 4.23Å; E274-E302 VanDerWaalsContact OE1-CG 3.3Å; E274-E302 WeakPolarHBondContact OE1-CG 3.49Å; E274-E302 WeakPolarHBondContact OE2-CG 3.36Å; E302-Q323 PolarHBondContact N-O 3.38Å; E302-R328 WeakPolarHBondContact O-CG 3.43Å; E302-R328 PolarHBondContact O-NE 2.95Å; E302-H352 HydrophobicContact CB-CB 3.72Å; E302-H352 VanDerWaalsContact CB-CG 3.44Å; E302-H352 IonicContact OE2-CD2 3.88Å; E302-H352 IonicContact OE2-NE2 3.31Å
303Q98.6Very high98.7Very high46 Ų4624.6 Ų24.622%0.21515%0.149CC..THydrogen-bonded Turntrans-110.24.8174.4-60.8-159.5-3.900114.2P278 G301 H305P278-Q303 HydrophobicContact CB-CB 3.96Å; P278-Q303 HydrophobicContact CG-CB 4.01Å; G301-Q303 PolarHBondContact O-N 3.15Å; G301-Q303 VanDerWaalsContact O-N 3.13Å; Q303-H305 PolarHBondContact O-N 2.89Å; Q303-H305 VanDerWaalsContact O-N 3.15Å
304C98.8Very high98.8Very high0 Ų019.5 Ų19.50%012%0.115CC..  trans-65.6115.3174.8179.60000109.9G301 N306 M309 F310 R328G301-C304 VanDerWaalsContact O-CB 3.3Å; G301-C304 WeakPolarHBondContact O-CB 3.16Å; G301-C304 PolarHBondContact O-N 3Å; C304-N306 PolarHBondContact O-N 2.68Å; C304-M309 WeakPolarHBondContact SG-CB 3.28Å; C304-F310 HydrophobicContact CB-CD2 4.15Å; C304-F310 HydrophobicContact CB-CE1 4.11Å; C304-F310 HydrophobicContact CB-CE2 3.55Å; C304-F310 HydrophobicContact CB-CZ 3.55Å; C304-F310 WeakPolarHBondContact SG-CD2 3.32Å; C304-F310 WeakPolarHBondContact SG-CE2 3.46Å; C304-R328 WeakPolarHBondContact O-CG 3.37Å
305H98.1Very high98.8Very high18 Ų1819.9 Ų19.98%0.08312%0.115CC..  trans-81.3-17.5-156.36465.4000115.4E104 K105 H109 D279 Q303 M309E104-H305 PolarHBondContact O-ND1 3.29Å; K105-H305 HydrophobicContact CB-CB 3.72Å; K105-H305 PolarHBondContact NZ-CE1 3.42Å; K105-H305 PolarHBondContact NZ-NE2 2.83Å; H109-H305 PolarHBondContact CD2-O 2.94Å; H109-H305 VanDerWaalsContact CD2-O 3.25Å; D279-H305 IonicContact OD1-CD2 2.75Å; D279-H305 PolarHBondContact OD1-CD2 3.38Å; D279-H305 VanDerWaalsContact OD1-CD2 3.31Å; D279-H305 IonicContact OD1-NE2 3.04Å; Q303-H305 PolarHBondContact O-N 2.89Å; Q303-H305 VanDerWaalsContact O-N 3.15Å; H305-M309 WeakPolarHBondContact CE1-CG 3.4Å; H305-M309 VanDerWaalsContact NE2-CG 3.31Å; H305-M309 WeakPolarHBondContact NE2-CG 3.43Å
306N98.9Very high98.8Very high11 Ų1118.9 Ų18.96%0.05910%0.1CC..SBendtrans-163.4174.8175.163.841.2000113.5E104 C304 V308 M309 F310 L329 E334E104-N306 HydrophobicContact CB-CB 4.15Å; E104-N306 WeakPolarHBondContact O-CB 3.42Å; E104-N306 PolarHBondContact O-ND2 3.41Å; C304-N306 PolarHBondContact O-N 2.68Å; N306-V308 PolarHBondContact O-N 2.99Å; N306-V308 WeakPolarHBondContact OD1-CA 3.34Å; N306-V308 VanDerWaalsContact OD1-CB 3.29Å; N306-V308 WeakPolarHBondContact OD1-CB 3.2Å; N306-V308 PolarHBondContact OD1-N 2.93Å; N306-M309 PolarHBondContact O-N 3.1Å; N306-M309 PolarHBondContact OD1-N 3.46Å; N306-F310 PolarHBondContact O-N 3.23Å; N306-L329 VanDerWaalsContact CA-CD2 3.43Å; N306-E334 WeakPolarHBondContact CA-OE1 3.38Å; N306-E334 VanDerWaalsContact CB-OE1 3.31Å; N306-E334 WeakPolarHBondContact CB-OE1 3.44Å
307R98.9Very high98.8Very high2 Ų222.7 Ų22.71%0.00813%0.128CC..Hα-helixtrans-59.8-26.3178.566.2-169.3171.5-71.83.2114.6Y89 E104 D148 R150 I152 K311 E334 V338 M341Y89-R307 PolarHBondContact OH-NH1 3.37Å; Y89-R307 VanDerWaalsContact OH-NH1 3.16Å; E104-R307 IonicContact OE1-CZ 3.51Å; E104-R307 VanDerWaalsContact OE1-CZ 3.32Å; E104-R307 IonicContact OE1-NH1 3.8Å; E104-R307 PolarHBondContact OE1-NH1 2.72Å; E104-R307 IonicContact OE1-NH2 3.95Å; E104-R307 PolarHBondContact OE1-NH2 3.37Å; E104-R307 IonicContact OE2-NH1 3.86Å; E104-R307 IonicContact OE2-NH2 2.74Å; D148-R307 PolarHBondContact O-NE 2.7Å; D148-R307 IonicContact OD2-NH2 3.91Å; D148-R307 PolarHBondContact OD2-NH2 2.7Å; R150-R307 PolarHBondContact O-NE 3.09Å; I152-R307 HydrophobicContact CG2-CB 4.26Å; I152-R307 HydrophobicContact CG2-CG 3.84Å; R307-K311 WeakPolarHBondContact O-CB 3.37Å; R307-K311 PolarHBondContact O-N 3.09Å; R307-E334 HydrophobicContact CB-CG 3.89Å; R307-E334 HydrophobicContact CG-CG 4.29Å; R307-E334 WeakPolarHBondContact CG-OE1 3.26Å; R307-E334 IonicContact CZ-OE1 3.89Å; R307-E334 PolarHBondContact N-OE1 2.81Å; R307-E334 IonicContact NH1-OE1 2.99Å; R307-E334 PolarHBondContact NH1-OE1 2.89Å; R307-V338 HydrophobicContact CB-CG2 4.11Å; R307-M341 HydrophobicContact CB-CE 4.01Å
308V98.9Very high98.8Very high33 Ų3322.2 Ų22.220%0.212%0.123CC..Hα-helixtrans-73-34-179.7-174.20000111Y151 N306 Q312Y151-V308 HydrophobicContact CD2-CG2 4.14Å; Y151-V308 HydrophobicContact CG-CG2 4.25Å; N306-V308 PolarHBondContact O-N 2.99Å; N306-V308 WeakPolarHBondContact OD1-CA 3.34Å; N306-V308 VanDerWaalsContact OD1-CB 3.29Å; N306-V308 WeakPolarHBondContact OD1-CB 3.2Å; N306-V308 PolarHBondContact OD1-N 2.93Å; V308-Q312 WeakPolarHBondContact O-CG 3.12Å; V308-Q312 PolarHBondContact O-N 3.38Å; V308-Q312 PolarHBondContact O-NE2 3.17Å
309M98.9Very high98.7Very high20 Ų2022.4 Ų22.410%0.09912%0.124CC..Hα-helixtrans-68.9-49.5172.4-66-59.6-74.500110.5D279 I281 C304 H305 N306 K311 Q312 F313D279-M309 HydrophobicContact CB-CE 4.13Å; I281-M309 HydrophobicContact CD1-CE 3.7Å; I281-M309 HydrophobicContact CD1-SD 4.05Å; I281-M309 HydrophobicContact CG1-CE 4.27Å; C304-M309 WeakPolarHBondContact SG-CB 3.28Å; H305-M309 WeakPolarHBondContact CE1-CG 3.4Å; H305-M309 VanDerWaalsContact NE2-CG 3.31Å; H305-M309 WeakPolarHBondContact NE2-CG 3.43Å; N306-M309 PolarHBondContact O-N 3.1Å; N306-M309 PolarHBondContact OD1-N 3.46Å; M309-K311 VanDerWaalsContact C-N 3.3Å; M309-K311 PolarHBondContact O-N 2.74Å; M309-Q312 PolarHBondContact O-N 2.98Å; M309-F313 HydrophobicContact CB-CE2 4.48Å; M309-F313 VanDerWaalsContact O-CD2 3.22Å; M309-F313 WeakPolarHBondContact O-CD2 3.37Å; M309-F313 PolarHBondContact O-N 2.93Å
310F98.9Very high98.6Very high1 Ų125.5 Ų25.50%0.00414%0.138CC..Hα-helixtrans-55.9-42.5175-83.9-66.9000112.9C304 N306 Q312 F313 L314 V322 L329 V338C304-F310 HydrophobicContact CB-CD2 4.15Å; C304-F310 HydrophobicContact CB-CE1 4.11Å; C304-F310 HydrophobicContact CB-CE2 3.55Å; C304-F310 HydrophobicContact CB-CZ 3.55Å; C304-F310 WeakPolarHBondContact SG-CD2 3.32Å; C304-F310 WeakPolarHBondContact SG-CE2 3.46Å; N306-F310 PolarHBondContact O-N 3.23Å; F310-Q312 VanDerWaalsContact C-N 3.31Å; F310-Q312 PolarHBondContact O-N 3.47Å; F310-F313 PolarHBondContact O-N 3.47Å; F310-L314 VanDerWaalsContact O-CG 3.31Å; F310-L314 WeakPolarHBondContact O-CG 3.45Å; F310-L314 PolarHBondContact O-N 3.46Å; F310-V322 HydrophobicContact CD1-CG1 4.07Å; F310-V322 HydrophobicContact CE1-CG1 3.82Å; F310-L329 HydrophobicContact CD2-CD1 4.19Å; F310-L329 HydrophobicContact CD2-CD2 4.14Å; F310-L329 HydrophobicContact CE2-CD1 3.79Å; F310-L329 HydrophobicContact CE2-CD2 3.9Å; F310-L329 HydrophobicContact CE2-CG 4.17Å; F310-V338 HydrophobicContact CB-CG1 4.01Å; F310-V338 HydrophobicContact CB-CG2 4Å; F310-V338 HydrophobicContact CD1-CG1 3.94Å; F310-V338 HydrophobicContact CD2-CG1 3.96Å; F310-V338 HydrophobicContact CD2-CG2 3.71Å; F310-V338 HydrophobicContact CE1-CG1 4.4Å; F310-V338 HydrophobicContact CE2-CG1 4.41Å; F310-V338 HydrophobicContact CE2-CG2 4.47Å; F310-V338 HydrophobicContact CG-CG1 3.69Å; F310-V338 HydrophobicContact CG-CG2 4.01Å
311K98.9Very high98.6Very high22 Ų2226.4 Ų26.410%0.09614%0.142CC..Hα-helixtrans-51.3-51.2172.6172.6-177.184.5166.70111.5Y151 I152 D154 V155 R307 M309 L314 Q315 M341Y151-K311 PolarHBondContact O-NZ 3.18Å; I152-K311 HydrophobicContact CG2-CB 4.44Å; I152-K311 HydrophobicContact CG2-CD 4.39Å; D154-K311 VanDerWaalsContact CG-NZ 3.25Å; D154-K311 IonicContact OD1-NZ 3.1Å; D154-K311 PolarHBondContact OD1-NZ 3.32Å; D154-K311 IonicContact OD2-NZ 2.78Å; D154-K311 PolarHBondContact OD2-NZ 2.95Å; V155-K311 HydrophobicContact CB-CD 4.41Å; V155-K311 HydrophobicContact CB-CG 4.33Å; V155-K311 HydrophobicContact CG1-CD 3.89Å; V155-K311 HydrophobicContact CG1-CG 3.83Å; V155-K311 HydrophobicContact CG2-CB 4.4Å; V155-K311 HydrophobicContact CG2-CD 3.67Å; V155-K311 HydrophobicContact CG2-CG 3.58Å; R307-K311 WeakPolarHBondContact O-CB 3.37Å; R307-K311 PolarHBondContact O-N 3.09Å; M309-K311 VanDerWaalsContact C-N 3.3Å; M309-K311 PolarHBondContact O-N 2.74Å; K311-L314 PolarHBondContact O-N 3.47Å; K311-Q315 HydrophobicContact CG-CG 4.34Å; K311-Q315 WeakPolarHBondContact O-CG 3.47Å; K311-Q315 PolarHBondContact O-N 3.05Å; K311-M341 HydrophobicContact CB-SD 4.02Å
312Q98.9Very high98.7Very high76 Ų7626.3 Ų26.336%0.35514%0.141SC..Hα-helixtrans-70-37.8-175.5-71.6170.684.400111.9I281 V308 M309 F310 L314 Q315 A316I281-Q312 HydrophobicContact CD1-CB 3.51Å; I281-Q312 HydrophobicContact CD1-CG 4.37Å; I281-Q312 HydrophobicContact CG1-CB 4.24Å; I281-Q312 HydrophobicContact CG2-CB 4.28Å; V308-Q312 WeakPolarHBondContact O-CG 3.12Å; V308-Q312 PolarHBondContact O-N 3.38Å; V308-Q312 PolarHBondContact O-NE2 3.17Å; M309-Q312 PolarHBondContact O-N 2.98Å; F310-Q312 VanDerWaalsContact C-N 3.31Å; F310-Q312 PolarHBondContact O-N 3.47Å; Q312-L314 VanDerWaalsContact C-N 3.29Å; Q312-L314 PolarHBondContact O-N 2.66Å; Q312-Q315 PolarHBondContact O-N 2.95Å; Q312-A316 VanDerWaalsContact O-CB 3.27Å; Q312-A316 WeakPolarHBondContact O-CB 3.44Å; Q312-A316 PolarHBondContact O-N 3.25Å
313F98.9Very high98.7Very high0 Ų025.5 Ų25.50%014%0.137CC..Hα-helixtrans-55.8-44.7170.5-82.2-69.2000111.9P278 I281 H284 M309 F310 S317 A318 L319P278-F313 WeakPolarHBondContact O-CE2 3.43Å; P278-F313 VanDerWaalsContact O-CZ 3.31Å; P278-F313 WeakPolarHBondContact O-CZ 3.45Å; I281-F313 HydrophobicContact CB-CD1 4.28Å; I281-F313 HydrophobicContact CB-CE1 4.25Å; I281-F313 HydrophobicContact CG1-CD1 3.91Å; I281-F313 HydrophobicContact CG1-CD2 3.89Å; I281-F313 HydrophobicContact CG1-CE1 3.85Å; I281-F313 HydrophobicContact CG1-CE2 3.82Å; I281-F313 HydrophobicContact CG1-CG 3.93Å; I281-F313 HydrophobicContact CG1-CZ 3.8Å; I281-F313 HydrophobicContact CG2-CD1 4.33Å; H284-F313 HydrophobicContact CB-CD1 4.33Å; H284-F313 HydrophobicContact CB-CE1 3.86Å; H284-F313 AromaticContact CG-CE1 3.71Å; H284-F313 AromaticContact ND1-CE1 3.78Å; M309-F313 HydrophobicContact CB-CE2 4.48Å; M309-F313 VanDerWaalsContact O-CD2 3.22Å; M309-F313 WeakPolarHBondContact O-CD2 3.37Å; M309-F313 PolarHBondContact O-N 2.93Å; F310-F313 PolarHBondContact O-N 3.47Å; F313-S317 PolarHBondContact O-N 3.42Å; F313-A318 HydrophobicContact CD1-CB 3.74Å; F313-A318 WeakPolarHBondContact O-CB 3.48Å; F313-A318 PolarHBondContact O-N 3.33Å; F313-L319 HydrophobicContact CB-CD2 3.44Å; F313-L319 VanDerWaalsContact CB-CD2 3.44Å; F313-L319 HydrophobicContact CB-CG 4.21Å; F313-L319 HydrophobicContact CD1-CD2 3.58Å; F313-L319 HydrophobicContact CD2-CD2 4.31Å; F313-L319 HydrophobicContact CE1-CD2 4.38Å; F313-L319 HydrophobicContact CG-CD2 3.55Å
314L98.9Very high98.7Very high5 Ų523.3 Ų23.33%0.02613%0.127CC..Hα-helixtrans-66.9-45.7177-67.6170.6000112.1F310 K311 Q312 A316 S317 V322 M341 F345 V347F310-L314 VanDerWaalsContact O-CG 3.31Å; F310-L314 WeakPolarHBondContact O-CG 3.45Å; F310-L314 PolarHBondContact O-N 3.46Å; K311-L314 PolarHBondContact O-N 3.47Å; Q312-L314 VanDerWaalsContact C-N 3.29Å; Q312-L314 PolarHBondContact O-N 2.66Å; L314-A316 VanDerWaalsContact C-N 3.3Å; L314-A316 PolarHBondContact O-N 2.94Å; L314-S317 PolarHBondContact O-N 3.12Å; L314-S317 VanDerWaalsContact O-N 3.09Å; L314-V322 HydrophobicContact CD2-CG2 3.92Å; L314-M341 HydrophobicContact CD1-CB 3.66Å; L314-F345 HydrophobicContact CB-CB 4.3Å; L314-F345 HydrophobicContact CB-CD1 3.88Å; L314-F345 HydrophobicContact CB-CD2 4.09Å; L314-F345 HydrophobicContact CB-CE1 4.18Å; L314-F345 HydrophobicContact CB-CE2 4.37Å; L314-F345 HydrophobicContact CB-CG 3.83Å; L314-F345 HydrophobicContact CB-CZ 4.41Å; L314-F345 HydrophobicContact CD1-CD2 4.15Å; L314-F345 HydrophobicContact CD1-CG 4.4Å; L314-F345 HydrophobicContact CD2-CB 4.01Å; L314-F345 HydrophobicContact CD2-CG 4.46Å; L314-F345 HydrophobicContact CG-CG 4.46Å; L314-V347 HydrophobicContact CD2-CB 3.9Å; L314-V347 HydrophobicContact CD2-CG1 4.44Å; L314-V347 HydrophobicContact CD2-CG2 3.65Å
315Q98.9Very high98.7Very high90 Ų9023.6 Ų23.642%0.42113%0.129SC..Hα-helixtrans-59.9-39.5177.2-74.8176.5-53.900112.5V155 K311 Q312 S317 F345V155-Q315 HydrophobicContact CG1-CG 3.75Å; K311-Q315 HydrophobicContact CG-CG 4.34Å; K311-Q315 WeakPolarHBondContact O-CG 3.47Å; K311-Q315 PolarHBondContact O-N 3.05Å; Q312-Q315 PolarHBondContact O-N 2.95Å; Q315-S317 PolarHBondContact O-N 2.75Å; Q315-F345 HydrophobicContact CG-CE1 4.36Å; Q315-F345 HydrophobicContact CG-CZ 4.09Å
316A98.8Very high98.7Very high39 Ų3922.7 Ų22.732%0.32213%0.125SC..THydrogen-bonded Turntrans-79.8-2.8179.100000113.5I281 A285 Q312 L314 A318I281-A316 HydrophobicContact CG2-CB 3.74Å; A285-A316 HydrophobicContact CB-CB 4.42Å; Q312-A316 VanDerWaalsContact O-CB 3.27Å; Q312-A316 WeakPolarHBondContact O-CB 3.44Å; Q312-A316 PolarHBondContact O-N 3.25Å; L314-A316 VanDerWaalsContact C-N 3.3Å; L314-A316 PolarHBondContact O-N 2.94Å; A316-A318 HydrophobicContact CB-CB 4.07Å; A316-A318 PolarHBondContact O-N 2.93Å
317S98.6Very high98.7Very high85 Ų8522.2 Ų22.259%0.59412%0.122SC*.THydrogen-bonded Turntrans51.136.6-169.8-55.80000112.2F313 L314 Q315 L319F313-S317 PolarHBondContact O-N 3.42Å; L314-S317 PolarHBondContact O-N 3.12Å; L314-S317 VanDerWaalsContact O-N 3.09Å; Q315-S317 PolarHBondContact O-N 2.75Å; S317-L319 VanDerWaalsContact C-N 3.32Å; S317-L319 PolarHBondContact O-N 2.99Å
318A98.6Very high98.7Very high0 Ų024.6 Ų24.60%013%0.131CC..  trans-79.6-14.9-168.100000113.9I281 H284 A285 F313 A316I281-A318 HydrophobicContact CG2-CB 4.36Å; I281-A318 WeakPolarHBondContact O-CB 3.37Å; H284-A318 CarbonylContact C-O 3.58Å; H284-A318 HydrophobicContact CB-CB 3.99Å; A285-A318 HydrophobicContact CB-CB 3.89Å; F313-A318 HydrophobicContact CD1-CB 3.74Å; F313-A318 WeakPolarHBondContact O-CB 3.48Å; F313-A318 PolarHBondContact O-N 3.33Å; A316-A318 HydrophobicContact CB-CB 4.07Å; A316-A318 PolarHBondContact O-N 2.93Å
319L96.4Very high98.7Very high4 Ų423 Ų232%0.02112%0.122CC..  trans-143.9147.6178.256.398.6000110.9V298 F313 S317 F321 V322 V347V298-L319 HydrophobicContact CG1-CB 4.35Å; V298-L319 CarbonylContact O-C 3.48Å; V298-L319 WeakPolarHBondContact O-CA 3.34Å; F313-L319 HydrophobicContact CB-CD2 3.44Å; F313-L319 VanDerWaalsContact CB-CD2 3.44Å; F313-L319 HydrophobicContact CB-CG 4.21Å; F313-L319 HydrophobicContact CD1-CD2 3.58Å; F313-L319 HydrophobicContact CD2-CD2 4.31Å; F313-L319 HydrophobicContact CE1-CD2 4.38Å; F313-L319 HydrophobicContact CG-CD2 3.55Å; S317-L319 VanDerWaalsContact C-N 3.32Å; S317-L319 PolarHBondContact O-N 2.99Å; L319-F321 WeakPolarHBondContact CD1-O 3.29Å; L319-V322 HydrophobicContact CD1-CB 4.16Å; L319-V322 HydrophobicContact CD1-CG2 3.43Å; L319-V322 VanDerWaalsContact CD1-CG2 3.43Å; L319-V347 HydrophobicContact CD1-CG1 4.13Å
320Q98.6Very high98.7Very high64 Ų6422.1 Ų22.130%0.29912%0.117SC..SBendtrans-100.8-12.1178.5-75.566.862.500112.1S288 V298 V347 P348S288-Q320 PolarHBondContact OG-NE2 3.18Å; S288-Q320 PolarHBondContact OG-OE1 2.91Å; V298-Q320 PolarHBondContact O-N 3.35Å; Q320-V347 WeakPolarHBondContact O-CG1 3.38Å; Q320-P348 VanDerWaalsContact O-CD 3.26Å; Q320-P348 WeakPolarHBondContact O-CD 3.39Å; Q320-P348 VanDerWaalsContact O-CG 3.28Å; Q320-P348 WeakPolarHBondContact O-CG 3.5Å
321F98.9Very high98.7Very high19 Ų1922 Ų228%0.08312%0.117CC..EExtended strand (participates in β ladder)trans-139.3117176.3-55-87.1000109.5L270 W271 V298 A299 S300 L319 P348L270-F321 HydrophobicContact CD1-CE2 4.49Å; L270-F321 HydrophobicContact CD1-CZ 3.85Å; L270-F321 HydrophobicContact CD2-CE1 4.38Å; L270-F321 HydrophobicContact CD2-CZ 4.15Å; L270-F321 HydrophobicContact CG-CE2 4.27Å; L270-F321 HydrophobicContact CG-CZ 3.86Å; W271-F321 HydrophobicContact CB-CD2 3.87Å; W271-F321 HydrophobicContact CB-CE2 3.98Å; W271-F321 HydrophobicContact CD2-CD2 4.37Å; W271-F321 HydrophobicContact CE3-CD1 4.17Å; W271-F321 AromaticContact CE3-CD2 3.95Å; W271-F321 HydrophobicContact CE3-CD2 3.95Å; W271-F321 HydrophobicContact CE3-CE1 4.35Å; W271-F321 HydrophobicContact CE3-CE2 4.13Å; W271-F321 AromaticContact CE3-CG 3.98Å; W271-F321 HydrophobicContact CE3-CG 3.98Å; W271-F321 HydrophobicContact CE3-CZ 4.34Å; W271-F321 HydrophobicContact CG-CD2 4.41Å; W271-F321 HydrophobicContact CZ3-CD1 4.37Å; W271-F321 HydrophobicContact CZ3-CG 4.49Å; V298-F321 PolarHBondContact O-N 2.88Å; A299-F321 WeakPolarHBondContact CA-O 3.47Å; A299-F321 HydrophobicContact CB-CB 3.88Å; A299-F321 HydrophobicContact CB-CD2 4.49Å; S300-F321 PolarHBondContact N-O 2.8Å; L319-F321 WeakPolarHBondContact CD1-O 3.29Å; F321-P348 HydrophobicContact CD1-CB 4.45Å; F321-P348 HydrophobicContact CD1-CG 3.61Å; F321-P348 HydrophobicContact CE1-CG 3.93Å; F321-P348 HydrophobicContact CG-CG 4.46Å
322V98.9Very high98.7Very high0 Ų021 Ų210%011%0.112CC..EExtended strand (participates in β ladder)trans-81123.7177.4170.80000109.1F310 L314 L319 I324 V338 A342 V347 P348 V349 C350F310-V322 HydrophobicContact CD1-CG1 4.07Å; F310-V322 HydrophobicContact CE1-CG1 3.82Å; L314-V322 HydrophobicContact CD2-CG2 3.92Å; L319-V322 HydrophobicContact CD1-CB 4.16Å; L319-V322 HydrophobicContact CD1-CG2 3.43Å; L319-V322 VanDerWaalsContact CD1-CG2 3.43Å; V322-I324 HydrophobicContact CG1-CG2 3.81Å; V322-V338 HydrophobicContact CG1-CG1 3.94Å; V322-A342 HydrophobicContact CB-CB 4.45Å; V322-A342 HydrophobicContact CG2-CB 4.01Å; V322-V347 HydrophobicContact CG2-CB 4.2Å; V322-V347 HydrophobicContact CG2-CG1 3.8Å; V322-P348 PolarHBondContact N-O 2.85Å; V322-V349 HydrophobicContact CB-CG2 4.19Å; V322-V349 HydrophobicContact CG1-CG2 4.31Å; V322-V349 CarbonylContact O-C 3.55Å; V322-V349 VanDerWaalsContact O-CA 3.31Å; V322-V349 WeakPolarHBondContact O-CA 3.39Å; V322-C350 PolarHBondContact O-N 3.44Å
323Q98.9Very high98.7Very high0 Ų017.5 Ų17.50%010%0.096CC..  trans-109.288.1177.9-52.6-176.4-83.900109.7E273 A299 S300 G301 E302 C350E273-Q323 VanDerWaalsContact CD-OE1 3.31Å; E273-Q323 VanDerWaalsContact CG-OE1 3.24Å; E273-Q323 PolarHBondContact OE1-NE2 2.92Å; E273-Q323 VanDerWaalsContact OE1-NE2 3.07Å; E273-Q323 PolarHBondContact OE2-NE2 3.5Å; A299-Q323 VanDerWaalsContact C-OE1 3.32Å; A299-Q323 HydrophobicContact CB-CG 4.19Å; S300-Q323 VanDerWaalsContact N-OE1 3.12Å; S300-Q323 PolarHBondContact O-N 3.4Å; G301-Q323 CarbonylContact C-O 3.5Å; G301-Q323 WeakPolarHBondContact CA-O 3.23Å; E302-Q323 PolarHBondContact N-O 3.38Å; Q323-C350 WeakPolarHBondContact CA-O 3.27Å; Q323-C350 WeakPolarHBondContact CG-O 3.39Å
324I98.9Very high98.7Very high0 Ų017.6 Ų17.60%010%0.096CC..  trans-69156.2173.466.7173000110.7V322 N335 V338 L339 V349 P351 H352 V362 L365V322-I324 HydrophobicContact CG1-CG2 3.81Å; I324-N335 WeakPolarHBondContact CB-OD1 3.21Å; I324-V338 HydrophobicContact CG2-CB 4.24Å; I324-V338 HydrophobicContact CG2-CG1 3.64Å; I324-L339 HydrophobicContact CD1-CD2 3.76Å; I324-L339 HydrophobicContact CD1-CG 4.27Å; I324-V349 HydrophobicContact CD1-CG1 4.02Å; I324-V349 HydrophobicContact CG1-CG1 3.87Å; I324-V349 HydrophobicContact CG2-CG1 4.05Å; I324-P351 HydrophobicContact CD1-CG 4.41Å; I324-P351 HydrophobicContact CG1-CB 3.89Å; I324-P351 HydrophobicContact CG1-CG 4.1Å; I324-H352 PolarHBondContact O-N 3.33Å; I324-V362 HydrophobicContact CG1-CG2 4.39Å; I324-L365 HydrophobicContact CD1-CB 4.28Å; I324-L365 HydrophobicContact CD1-CD1 4.34Å
325D98.9Very high98.7Very high6 Ų617.3 Ų17.33%0.03210%0.095CC..  trans-133.4136.1172.7178.4-81.5000110.2C327 R328 N335 H352D325-C327 PolarHBondContact O-N 3.21Å; D325-C327 WeakPolarHBondContact OD1-CA 3.45Å; D325-C327 PolarHBondContact OD1-N 3.32Å; D325-R328 HydrophobicContact CB-CB 3.81Å; D325-R328 WeakPolarHBondContact OD1-CB 3.44Å; D325-R328 PolarHBondContact OD1-N 3.03Å; D325-N335 PolarHBondContact O-ND2 3.01Å; D325-N335 VanDerWaalsContact O-ND2 3.09Å; D325-N335 PolarHBondContact O-OD1 3.47Å; D325-H352 HydrophobicContact CB-CB 4.49Å; D325-H352 IonicContact OD2-CE1 2.74Å; D325-H352 IonicContact OD2-CG 2.76Å; D325-H352 IonicContact OD2-ND1 3.18Å; D325-H352 PolarHBondContact OD2-ND1 3.03Å
326S98.8Very high98.7Very high0 Ų013.1 Ų13.10%08%0.075CC..THydrogen-bonded Turntrans-72-15-173.3560000114.1N117 L361N117-S326 PolarHBondContact ND2-O 3.48Å; S326-L361 WeakPolarHBondContact OG-CB 3.47Å
327C98.4Very high98.7Very high1 Ų111.2 Ų11.21%0.0076%0.06CC..THydrogen-bonded Turntrans-124.6-15.4-170.6-720000114L51 T52 L110 A113 D325 L358L51-C327 PolarHBondContact O-SG 3.15Å; L51-C327 VanDerWaalsContact O-SG 3.37Å; T52-C327 PolarHBondContact OG1-O 2.93Å; L110-C327 VanDerWaalsContact CD2-O 3.29Å; L110-C327 WeakPolarHBondContact CD2-O 3.43Å; A113-C327 VanDerWaalsContact CB-O 3.23Å; A113-C327 WeakPolarHBondContact CB-O 3.45Å; D325-C327 PolarHBondContact O-N 3.21Å; D325-C327 WeakPolarHBondContact OD1-CA 3.45Å; D325-C327 PolarHBondContact OD1-N 3.32Å; C327-L358 HydrophobicContact CB-CD2 3.75Å; C327-L358 VanDerWaalsContact SG-CD2 3.53Å
328R98.8Very high98.7Very high52 Ų527.2 Ų7.220%0.1963%0.032CC..THydrogen-bonded Turntrans-80.2-50.7175.917859.959.1-170.10.8111.7H109 E302 C304 D325H109-R328 PolarHBondContact CD2-O 3.19Å; E302-R328 WeakPolarHBondContact O-CG 3.43Å; E302-R328 PolarHBondContact O-NE 2.95Å; C304-R328 WeakPolarHBondContact O-CG 3.37Å; D325-R328 HydrophobicContact CB-CB 3.81Å; D325-R328 WeakPolarHBondContact OD1-CB 3.44Å; D325-R328 PolarHBondContact OD1-N 3.03Å
329L98.9Very high98.7Very high0 Ų07.2 Ų7.20%03%0.032CC..SBendtrans-76.1166.1174.9-65.2-178.8000109.6A113 N306 F310 S331 E334 V338A113-L329 WeakPolarHBondContact CB-O 3.29Å; N306-L329 VanDerWaalsContact CA-CD2 3.43Å; F310-L329 HydrophobicContact CD2-CD1 4.19Å; F310-L329 HydrophobicContact CD2-CD2 4.14Å; F310-L329 HydrophobicContact CE2-CD1 3.79Å; F310-L329 HydrophobicContact CE2-CD2 3.9Å; F310-L329 HydrophobicContact CE2-CG 4.17Å; L329-S331 PolarHBondContact O-N 3.42Å; L329-E334 HydrophobicContact CB-CB 4.2Å; L329-E334 HydrophobicContact CB-CG 4.2Å; L329-E334 HydrophobicContact CD2-CG 4.3Å; L329-V338 HydrophobicContact CD1-CB 4.47Å; L329-V338 HydrophobicContact CD1-CG2 3.88Å
330G98.7Very high98.9Very high0 Ų07.1 Ų7.10%03%0.031CC..SBendtrans-68.168175.900000112.1Y89 H109 E334Y89-G330 WeakPolarHBondContact CE2-O 3.29Å; H109-G330 PolarHBondContact NE2-N 2.92Å; H109-G330 VanDerWaalsContact NE2-N 3.18Å; G330-E334 PolarHBondContact N-OE2 3.03Å; G330-E334 PolarHBondContact O-N 2.63Å
331S98.9Very high98.9Very high0 Ų04 Ų40%02%0.017CC..Hα-helixtrans52.9-154.7177-174.40000112.9N117 L329 N333 E334 N335N117-S331 PolarHBondContact N-OG 3.5Å; N117-S331 WeakPolarHBondContact OD1-CB 3.46Å; N117-S331 PolarHBondContact OD1-OG 2.86Å; L329-S331 PolarHBondContact O-N 3.42Å; S331-N333 VanDerWaalsContact C-N 3.28Å; S331-N333 PolarHBondContact O-N 3.06Å; S331-E334 PolarHBondContact O-N 3.35Å; S331-N335 WeakPolarHBondContact O-CB 3.37Å; S331-N335 PolarHBondContact O-N 3.4Å; S331-N335 PolarHBondContact O-ND2 2.93Å
332V98.9Very high98.9Very high0 Ų03.1 Ų3.10%01%0.013CC..Hα-helixtrans-57.3-40.7179.8-175.10000110.9W120 L131 L135 E334 N335 L336 L365 Y411W120-V332 HydrophobicContact CB-CG2 4.03Å; W120-V332 HydrophobicContact CD2-CB 3.94Å; W120-V332 HydrophobicContact CD2-CG1 4.22Å; W120-V332 HydrophobicContact CD2-CG2 3.88Å; W120-V332 HydrophobicContact CG-CB 4.01Å; W120-V332 HydrophobicContact CG-CG2 3.55Å; W120-V332 HydrophobicContact CH2-CG1 4.3Å; W120-V332 HydrophobicContact CZ2-CB 4.08Å; W120-V332 HydrophobicContact CZ2-CG1 3.95Å; L131-V332 HydrophobicContact CD2-CG2 3.63Å; L135-V332 HydrophobicContact CD1-CG1 3.9Å; L135-V332 HydrophobicContact CD2-CG1 4.1Å; V332-E334 VanDerWaalsContact C-N 3.34Å; V332-E334 PolarHBondContact O-N 2.76Å; V332-N335 PolarHBondContact O-N 3.08Å; V332-L336 HydrophobicContact CG1-CD1 3.94Å; V332-L336 HydrophobicContact CG1-CG 4Å; V332-L336 WeakPolarHBondContact O-CB 3.15Å; V332-L336 WeakPolarHBondContact O-CG 3.48Å; V332-L336 PolarHBondContact O-N 3.45Å; V332-L365 HydrophobicContact CB-CD2 4.3Å; V332-L365 HydrophobicContact CG1-CD2 3.93Å; V332-L365 HydrophobicContact CG2-CD2 4.18Å; V332-Y411 HydrophobicContact CG2-CD1 4.36Å; V332-Y411 HydrophobicContact CG2-CE1 3.5Å
333N98.9Very high98.9Very high2 Ų26.1 Ų6.11%0.0113%0.027CC..Hα-helixtrans-55.6-48.1-175.9-55.678.3000112.2Y89 W120 C146 S331Y89-N333 HydrophobicContact CD2-CB 3.63Å; Y89-N333 HydrophobicContact CE2-CB 3.95Å; Y89-N333 HydrophobicContact CG-CB 4.44Å; W120-N333 PolarHBondContact NE1-OD1 3.5Å; C146-N333 PolarHBondContact O-ND2 2.88Å; S331-N333 VanDerWaalsContact C-N 3.28Å; S331-N333 PolarHBondContact O-N 3.06Å
334E98.9Very high98.9Very high2 Ų29.7 Ų9.71%0.0094%0.042CC..Hα-helixtrans-79.6-34.6-179.3-170164.8-140.200112.3Y89 H109 N306 R307 L329 G330 S331 V332 L336 A337 V338Y89-E334 HydrophobicContact CE2-CB 4.33Å; Y89-E334 PolarHBondContact OH-OE2 3.1Å; H109-E334 IonicContact CD2-OE2 2.92Å; H109-E334 IonicContact CE1-OE2 2.78Å; H109-E334 PolarHBondContact CE1-OE2 3.31Å; H109-E334 IonicContact NE2-OE2 3.37Å; H109-E334 PolarHBondContact NE2-OE2 3.32Å; N306-E334 WeakPolarHBondContact CA-OE1 3.38Å; N306-E334 VanDerWaalsContact CB-OE1 3.31Å; N306-E334 WeakPolarHBondContact CB-OE1 3.44Å; R307-E334 HydrophobicContact CB-CG 3.89Å; R307-E334 HydrophobicContact CG-CG 4.29Å; R307-E334 WeakPolarHBondContact CG-OE1 3.26Å; R307-E334 IonicContact CZ-OE1 3.89Å; R307-E334 PolarHBondContact N-OE1 2.81Å; R307-E334 IonicContact NH1-OE1 2.99Å; R307-E334 PolarHBondContact NH1-OE1 2.89Å; L329-E334 HydrophobicContact CB-CB 4.2Å; L329-E334 HydrophobicContact CB-CG 4.2Å; L329-E334 HydrophobicContact CD2-CG 4.3Å; G330-E334 PolarHBondContact N-OE2 3.03Å; G330-E334 PolarHBondContact O-N 2.63Å; S331-E334 PolarHBondContact O-N 3.35Å; V332-E334 VanDerWaalsContact C-N 3.34Å; V332-E334 PolarHBondContact O-N 2.76Å; E334-L336 VanDerWaalsContact C-N 3.33Å; E334-L336 PolarHBondContact O-N 2.81Å; E334-A337 WeakPolarHBondContact O-CB 3.4Å; E334-A337 PolarHBondContact O-N 3.41Å; E334-A337 VanDerWaalsContact O-N 3.15Å; E334-V338 PolarHBondContact O-N 3.06Å; E334-V338 VanDerWaalsContact O-N 3.13Å
335N98.9Very high98.9Very high0 Ų013.1 Ų13.10%06%0.057CC..Hα-helixtrans-59.3-42.6173.1-87.6-79000112I324 D325 S331 V332 A337 V338 L339 L365I324-N335 WeakPolarHBondContact CB-OD1 3.21Å; D325-N335 PolarHBondContact O-ND2 3.01Å; D325-N335 VanDerWaalsContact O-ND2 3.09Å; D325-N335 PolarHBondContact O-OD1 3.47Å; S331-N335 WeakPolarHBondContact O-CB 3.37Å; S331-N335 PolarHBondContact O-N 3.4Å; S331-N335 PolarHBondContact O-ND2 2.93Å; V332-N335 PolarHBondContact O-N 3.08Å; N335-A337 VanDerWaalsContact C-N 3.27Å; N335-A337 PolarHBondContact O-N 3.32Å; N335-V338 PolarHBondContact O-N 2.73Å; N335-V338 VanDerWaalsContact O-N 3.12Å; N335-L339 WeakPolarHBondContact O-CG 3.28Å; N335-L339 PolarHBondContact O-N 3.26Å; N335-L365 HydrophobicContact CB-CD1 3.81Å; N335-L365 HydrophobicContact CB-CD2 4.43Å
336L98.9Very high98.9Very high1 Ų121.4 Ų21.41%0.0059%0.093CC..Hα-helixtrans-56.6-41174.5-71.8171.3000111.9L135 V143 I147 V332 E334 L340 F368L135-L336 HydrophobicContact CD2-CD1 4.38Å; V143-L336 HydrophobicContact CG1-CD1 4.13Å; V143-L336 HydrophobicContact CG1-CD2 4.33Å; I147-L336 HydrophobicContact CD1-CB 3.79Å; I147-L336 HydrophobicContact CG1-CB 3.92Å; I147-L336 HydrophobicContact CG1-CD1 4.38Å; V332-L336 HydrophobicContact CG1-CD1 3.94Å; V332-L336 HydrophobicContact CG1-CG 4Å; V332-L336 WeakPolarHBondContact O-CB 3.15Å; V332-L336 WeakPolarHBondContact O-CG 3.48Å; V332-L336 PolarHBondContact O-N 3.45Å; E334-L336 VanDerWaalsContact C-N 3.33Å; E334-L336 PolarHBondContact O-N 2.81Å; L336-L340 WeakPolarHBondContact O-CD1 3.45Å; L336-L340 VanDerWaalsContact O-CG 3.29Å; L336-L340 WeakPolarHBondContact O-CG 3.07Å; L336-L340 PolarHBondContact O-N 3.03Å; L336-L340 VanDerWaalsContact O-N 3.12Å; L336-F368 HydrophobicContact CD2-CD1 3.61Å; L336-F368 HydrophobicContact CD2-CE1 3.15Å; L336-F368 HydrophobicContact CD2-CZ 3.79Å
337A98.9Very high98.9Very high0 Ų022.4 Ų22.40%010%0.099CC..Hα-helixtrans-62.1-45176.300000111.6I147 I152 E334 N335 L340 M341I147-A337 HydrophobicContact CG2-CB 3.69Å; I152-A337 HydrophobicContact CD1-CB 3.99Å; E334-A337 WeakPolarHBondContact O-CB 3.4Å; E334-A337 PolarHBondContact O-N 3.41Å; E334-A337 VanDerWaalsContact O-N 3.15Å; N335-A337 VanDerWaalsContact C-N 3.27Å; N335-A337 PolarHBondContact O-N 3.32Å; A337-L340 PolarHBondContact O-N 3.33Å; A337-M341 WeakPolarHBondContact O-CG 3.46Å; A337-M341 PolarHBondContact O-N 3.41Å
338V98.9Very high98.9Very high0 Ų023.3 Ų23.30%011%0.105CC..Hα-helixtrans-68.1-40.4-179.7178.60000111.7R307 F310 V322 I324 L329 E334 N335 L340 M341 A342R307-V338 HydrophobicContact CB-CG2 4.11Å; F310-V338 HydrophobicContact CB-CG1 4.01Å; F310-V338 HydrophobicContact CB-CG2 4Å; F310-V338 HydrophobicContact CD1-CG1 3.94Å; F310-V338 HydrophobicContact CD2-CG1 3.96Å; F310-V338 HydrophobicContact CD2-CG2 3.71Å; F310-V338 HydrophobicContact CE1-CG1 4.4Å; F310-V338 HydrophobicContact CE2-CG1 4.41Å; F310-V338 HydrophobicContact CE2-CG2 4.47Å; F310-V338 HydrophobicContact CG-CG1 3.69Å; F310-V338 HydrophobicContact CG-CG2 4.01Å; V322-V338 HydrophobicContact CG1-CG1 3.94Å; I324-V338 HydrophobicContact CG2-CB 4.24Å; I324-V338 HydrophobicContact CG2-CG1 3.64Å; L329-V338 HydrophobicContact CD1-CB 4.47Å; L329-V338 HydrophobicContact CD1-CG2 3.88Å; E334-V338 PolarHBondContact O-N 3.06Å; E334-V338 VanDerWaalsContact O-N 3.13Å; N335-V338 PolarHBondContact O-N 2.73Å; N335-V338 VanDerWaalsContact O-N 3.12Å; V338-L340 PolarHBondContact O-N 3.13Å; V338-M341 HydrophobicContact CB-CE 4.45Å; V338-M341 HydrophobicContact CG2-CE 4Å; V338-M341 PolarHBondContact O-N 2.83Å; V338-A342 WeakPolarHBondContact O-CB 3.31Å; V338-A342 PolarHBondContact O-N 3.45Å
339L99Very high98.9Very high0 Ų021 Ų210%010%0.096CC..Hα-helixtrans-57.2-47.6173.9-70.5175.2000111.6I324 N335 A342 H343 V349 F368 D369I324-L339 HydrophobicContact CD1-CD2 3.76Å; I324-L339 HydrophobicContact CD1-CG 4.27Å; N335-L339 WeakPolarHBondContact O-CG 3.28Å; N335-L339 PolarHBondContact O-N 3.26Å; L339-A342 PolarHBondContact O-N 3.28Å; L339-H343 PolarHBondContact O-N 3.23Å; L339-V349 HydrophobicContact CD2-CB 4.22Å; L339-V349 HydrophobicContact CD2-CG1 3.89Å; L339-V349 HydrophobicContact CD2-CG2 3.91Å; L339-F368 HydrophobicContact CD1-CD1 4.19Å; L339-D369 HydrophobicContact CD1-CB 4.12Å; L339-D369 HydrophobicContact CD2-CB 3.88Å
340L98.9Very high98.9Very high2 Ų221 Ų211%0.0110%0.096CC..Hα-helixtrans-65.7-40.2178.9-69.8164.5000112.3I147 L156 A161 I164 L165 L336 A337 V338 K344 V373I147-L340 HydrophobicContact CD1-CD1 3.63Å; L156-L340 HydrophobicContact CD2-CB 3.62Å; A161-L340 HydrophobicContact CB-CD1 3.9Å; I164-L340 HydrophobicContact CB-CD2 4.02Å; I164-L340 HydrophobicContact CD1-CD2 4.28Å; I164-L340 HydrophobicContact CG2-CD2 3.73Å; L165-L340 HydrophobicContact CD2-CD2 4.1Å; L165-L340 HydrophobicContact CG-CD2 4.05Å; L336-L340 WeakPolarHBondContact O-CD1 3.45Å; L336-L340 VanDerWaalsContact O-CG 3.29Å; L336-L340 WeakPolarHBondContact O-CG 3.07Å; L336-L340 PolarHBondContact O-N 3.03Å; L336-L340 VanDerWaalsContact O-N 3.12Å; A337-L340 PolarHBondContact O-N 3.33Å; V338-L340 PolarHBondContact O-N 3.13Å; L340-K344 WeakPolarHBondContact O-CB 3.49Å; L340-K344 PolarHBondContact O-N 2.84Å; L340-V373 HydrophobicContact CD2-CG1 4.12Å; L340-V373 HydrophobicContact CD2-CG2 4.29Å
341M98.9Very high98.9Very high0 Ų021 Ų210%010%0.096CC..Hα-helixtrans-63.9-47173.4-71.5-172.2-64.100111.1I152 V155 L156 R307 K311 L314 A337 V338 H343 K344 F345I152-M341 HydrophobicContact CB-SD 4.03Å; I152-M341 HydrophobicContact CD1-SD 4.29Å; I152-M341 HydrophobicContact CG2-CE 4.32Å; I152-M341 HydrophobicContact CG2-SD 3.92Å; V155-M341 HydrophobicContact CG2-CG 4.35Å; V155-M341 HydrophobicContact CG2-SD 3.81Å; L156-M341 HydrophobicContact CB-CG 3.98Å; L156-M341 HydrophobicContact CD2-CG 3.69Å; L156-M341 HydrophobicContact CG-CG 4.44Å; R307-M341 HydrophobicContact CB-CE 4.01Å; K311-M341 HydrophobicContact CB-SD 4.02Å; L314-M341 HydrophobicContact CD1-CB 3.66Å; A337-M341 WeakPolarHBondContact O-CG 3.46Å; A337-M341 PolarHBondContact O-N 3.41Å; V338-M341 HydrophobicContact CB-CE 4.45Å; V338-M341 HydrophobicContact CG2-CE 4Å; V338-M341 PolarHBondContact O-N 2.83Å; M341-H343 VanDerWaalsContact C-N 3.3Å; M341-H343 PolarHBondContact O-N 2.94Å; M341-K344 PolarHBondContact O-N 2.98Å; M341-K344 VanDerWaalsContact O-N 3.12Å; M341-F345 VanDerWaalsContact O-CD2 3.29Å; M341-F345 WeakPolarHBondContact O-CD2 3.41Å; M341-F345 PolarHBondContact O-N 2.95Å
342A98.9Very high98.9Very high0 Ų022 Ų220%010%0.101CC..Hα-helixtrans-58.5-42.3178.400000111.7V322 V338 L339 F345 K346 V347 V349V322-A342 HydrophobicContact CB-CB 4.45Å; V322-A342 HydrophobicContact CG2-CB 4.01Å; V338-A342 WeakPolarHBondContact O-CB 3.31Å; V338-A342 PolarHBondContact O-N 3.45Å; L339-A342 PolarHBondContact O-N 3.28Å; A342-F345 CarbonylContact O-C 3.51Å; A342-F345 PolarHBondContact O-N 2.57Å; A342-K346 PolarHBondContact O-N 2.91Å; A342-V347 PolarHBondContact O-N 2.96Å; A342-V349 HydrophobicContact CB-CG2 3.55Å
343H98.9Very high98.8Very high63 Ų6322 Ų2229%0.29210%0.102SC..Hα-helixtrans-60.1-48.8172.8177.584000112.4I164 L339 M341 F345 K346 V373I164-H343 VanDerWaalsContact CG2-CD2 3.43Å; I164-H343 WeakPolarHBondContact CG2-CD2 3.23Å; L339-H343 PolarHBondContact O-N 3.23Å; M341-H343 VanDerWaalsContact C-N 3.3Å; M341-H343 PolarHBondContact O-N 2.94Å; H343-F345 VanDerWaalsContact C-N 3.27Å; H343-F345 PolarHBondContact O-N 3.18Å; H343-K346 PolarHBondContact O-N 2.81Å; H343-V373 HydrophobicContact CB-CG1 3.69Å; H343-V373 PolarHBondContact CE1-O 2.92Å; H343-V373 VanDerWaalsContact CE1-O 3.23Å; H343-V373 PolarHBondContact ND1-O 2.94Å
344K98.8Very high98.4Very high75 Ų7522.2 Ų22.233%0.32610%0.104SC..Hα-helixtrans-58.4-40.2179-175.6176.4-178.5178.60112.1V155 L156 E160 I164 L340 M341 K346V155-K344 WeakPolarHBondContact O-CD 3.36Å; V155-K344 VanDerWaalsContact O-CE 3.24Å; V155-K344 WeakPolarHBondContact O-CE 3.33Å; V155-K344 PolarHBondContact O-NZ 2.9Å; L156-K344 HydrophobicContact CD1-CD 3.98Å; E160-K344 IonicContact OE1-NZ 2.76Å; E160-K344 PolarHBondContact OE1-NZ 2.65Å; E160-K344 IonicContact OE2-NZ 3.57Å; E160-K344 PolarHBondContact OE2-NZ 3.33Å; I164-K344 HydrophobicContact CD1-CB 4.31Å; L340-K344 WeakPolarHBondContact O-CB 3.49Å; L340-K344 PolarHBondContact O-N 2.84Å; M341-K344 PolarHBondContact O-N 2.98Å; M341-K344 VanDerWaalsContact O-N 3.12Å; K344-K346 VanDerWaalsContact C-N 3.3Å
345F98.9Very high98.2Very high71 Ų7122.2 Ų22.231%0.31110%0.104SC..Hα-helixtrans-84-2.1177.8-78.5-99.8000113.7V155 L314 Q315 M341 A342 H343 V347V155-F345 HydrophobicContact CB-CE2 3.96Å; V155-F345 HydrophobicContact CB-CZ 4.08Å; V155-F345 HydrophobicContact CG1-CE2 4.43Å; V155-F345 HydrophobicContact CG1-CZ 4.07Å; V155-F345 HydrophobicContact CG2-CE2 4.42Å; L314-F345 HydrophobicContact CB-CB 4.3Å; L314-F345 HydrophobicContact CB-CD1 3.88Å; L314-F345 HydrophobicContact CB-CD2 4.09Å; L314-F345 HydrophobicContact CB-CE1 4.18Å; L314-F345 HydrophobicContact CB-CE2 4.37Å; L314-F345 HydrophobicContact CB-CG 3.83Å; L314-F345 HydrophobicContact CB-CZ 4.41Å; L314-F345 HydrophobicContact CD1-CD2 4.15Å; L314-F345 HydrophobicContact CD1-CG 4.4Å; L314-F345 HydrophobicContact CD2-CB 4.01Å; L314-F345 HydrophobicContact CD2-CG 4.46Å; L314-F345 HydrophobicContact CG-CG 4.46Å; Q315-F345 HydrophobicContact CG-CE1 4.36Å; Q315-F345 HydrophobicContact CG-CZ 4.09Å; M341-F345 VanDerWaalsContact O-CD2 3.29Å; M341-F345 WeakPolarHBondContact O-CD2 3.41Å; M341-F345 PolarHBondContact O-N 2.95Å; A342-F345 CarbonylContact O-C 3.51Å; A342-F345 PolarHBondContact O-N 2.57Å; H343-F345 VanDerWaalsContact C-N 3.27Å; H343-F345 PolarHBondContact O-N 3.18Å; F345-V347 VanDerWaalsContact C-N 3.28Å; F345-V347 HydrophobicContact CB-CG2 4.21Å; F345-V347 PolarHBondContact O-N 2.88Å
346K98.6Very high98.1Very high181 Ų18122.2 Ų22.279%0.78710%0.104SC*.THydrogen-bonded Turntrans58.137.1-179.3-52.4-179.1-179.3-179.10113.6A342 H343 K344A342-K346 PolarHBondContact O-N 2.91Å; H343-K346 PolarHBondContact O-N 2.81Å; K344-K346 VanDerWaalsContact C-N 3.3Å
347V98.8Very high98.1Very high21 Ų2122.2 Ų22.213%0.12711%0.105CC..PPolyproline II helixtrans-102.5125.4174.6-1730000108.5L314 L319 Q320 V322 A342 F345L314-V347 HydrophobicContact CD2-CB 3.9Å; L314-V347 HydrophobicContact CD2-CG1 4.44Å; L314-V347 HydrophobicContact CD2-CG2 3.65Å; L319-V347 HydrophobicContact CD1-CG1 4.13Å; Q320-V347 WeakPolarHBondContact O-CG1 3.38Å; V322-V347 HydrophobicContact CG2-CB 4.2Å; V322-V347 HydrophobicContact CG2-CG1 3.8Å; A342-V347 PolarHBondContact O-N 2.96Å; F345-V347 VanDerWaalsContact C-N 3.28Å; F345-V347 HydrophobicContact CB-CG2 4.21Å; F345-V347 PolarHBondContact O-N 2.88Å
348P98.9Very high98.1Very high20 Ų2022.2 Ų22.213%0.1311%0.105CC..PPolyproline II helixtrans-63.6144.617827.1-35.7000111.4Q320 F321 V322 G379 R380Q320-P348 VanDerWaalsContact O-CD 3.26Å; Q320-P348 WeakPolarHBondContact O-CD 3.39Å; Q320-P348 VanDerWaalsContact O-CG 3.28Å; Q320-P348 WeakPolarHBondContact O-CG 3.5Å; F321-P348 HydrophobicContact CD1-CB 4.45Å; F321-P348 HydrophobicContact CD1-CG 3.61Å; F321-P348 HydrophobicContact CE1-CG 3.93Å; F321-P348 HydrophobicContact CG-CG 4.46Å; V322-P348 PolarHBondContact N-O 2.85Å; P348-G379 WeakPolarHBondContact CB-O 3.3Å; P348-R380 HydrophobicContact CB-CG 3.54Å
349V98.9Very high98.1Very high2 Ų222.2 Ų22.21%0.01211%0.105CC..BIsolated β-bridgetrans-98.8123.3174-177.20000108.5V322 I324 L339 A342 P351 I366V322-V349 HydrophobicContact CB-CG2 4.19Å; V322-V349 HydrophobicContact CG1-CG2 4.31Å; V322-V349 CarbonylContact O-C 3.55Å; V322-V349 VanDerWaalsContact O-CA 3.31Å; V322-V349 WeakPolarHBondContact O-CA 3.39Å; I324-V349 HydrophobicContact CD1-CG1 4.02Å; I324-V349 HydrophobicContact CG1-CG1 3.87Å; I324-V349 HydrophobicContact CG2-CG1 4.05Å; L339-V349 HydrophobicContact CD2-CB 4.22Å; L339-V349 HydrophobicContact CD2-CG1 3.89Å; L339-V349 HydrophobicContact CD2-CG2 3.91Å; A342-V349 HydrophobicContact CB-CG2 3.55Å; V349-P351 HydrophobicContact CG1-CG 4.28Å; V349-I366 HydrophobicContact CB-CD1 4.09Å; V349-I366 HydrophobicContact CG1-CD1 3.97Å
350C98.9Very high98.1Very high0 Ų022.3 Ų22.30%011%0.105CC..  trans-123.886.5175.8-660000108.2W271 V322 Q323 G379 M381W271-C350 HydrophobicContact CH2-CB 4.32Å; V322-C350 PolarHBondContact O-N 3.44Å; Q323-C350 WeakPolarHBondContact CA-O 3.27Å; Q323-C350 WeakPolarHBondContact CG-O 3.39Å; C350-G379 PolarHBondContact SG-O 3.44Å; C350-M381 WeakPolarHBondContact CA-O 3.46Å; C350-M381 WeakPolarHBondContact CB-O 3.49Å
351P98.8Very high98.1Very high0 Ų022.2 Ų22.20%011%0.105CC..  trans-59143.3-169.4-1926.6000113.7I324 V349 V362 I366 E383I324-P351 HydrophobicContact CD1-CG 4.41Å; I324-P351 HydrophobicContact CG1-CB 3.89Å; I324-P351 HydrophobicContact CG1-CG 4.1Å; V349-P351 HydrophobicContact CG1-CG 4.28Å; P351-V362 HydrophobicContact CB-CB 4.36Å; P351-V362 HydrophobicContact CB-CG1 4.08Å; P351-V362 HydrophobicContact CB-CG2 3.35Å; P351-V362 HydrophobicContact CG-CG2 4.12Å; P351-I366 HydrophobicContact CG-CB 3.81Å; P351-I366 HydrophobicContact CG-CD1 3.68Å; P351-I366 HydrophobicContact CG-CG1 3.79Å; P351-I366 HydrophobicContact CG-CG2 4.47Å; P351-E383 WeakPolarHBondContact O-CB 3.49Å; P351-E383 PolarHBondContact O-N 2.8Å
352H98.7Very high98.1Very high21 Ų2122.2 Ų22.210%0.09711%0.105CC..  trans-71.1142.8163.7168.6-100000109.3E302 I324 D325 L358 E383E302-H352 HydrophobicContact CB-CB 3.72Å; E302-H352 VanDerWaalsContact CB-CG 3.44Å; E302-H352 IonicContact OE2-CD2 3.88Å; E302-H352 IonicContact OE2-NE2 3.31Å; I324-H352 PolarHBondContact O-N 3.33Å; D325-H352 HydrophobicContact CB-CB 4.49Å; D325-H352 IonicContact OD2-CE1 2.74Å; D325-H352 IonicContact OD2-CG 2.76Å; D325-H352 IonicContact OD2-ND1 3.18Å; D325-H352 PolarHBondContact OD2-ND1 3.03Å; H352-L358 VanDerWaalsContact CE1-CD1 3.42Å; H352-L358 WeakPolarHBondContact CE1-CD1 3.31Å; H352-E383 WeakPolarHBondContact CA-OE2 3.22Å; H352-E383 IonicContact CD2-OE2 3.71Å; H352-E383 PolarHBondContact CD2-OE2 2.84Å; H352-E383 IonicContact CG-OE2 2.78Å
353A96.9Very high98.1Very high2 Ų222.3 Ų22.32%0.01711%0.105CC..  trans-144.2-148.8178.500000111.4V362 E383A353-V362 HydrophobicContact CB-CG1 3.92Å; A353-E383 HydrophobicContact CB-CB 3.72Å; A353-E383 HydrophobicContact CB-CG 4.16Å; A353-E383 WeakPolarHBondContact CB-O 3.21Å; A353-E383 PolarHBondContact N-OE2 3.42Å
354G90.4Very high98.1Very high5 Ų519.3 Ų19.35%0.0529%0.091CC..  trans70.7-133.7-173.400000112.7V356 L358 C359G354-V356 PolarHBondContact O-N 3.43Å; G354-L358 WeakPolarHBondContact O-CB 3.44Å; G354-L358 WeakPolarHBondContact O-CG 3.42Å; G354-L358 PolarHBondContact O-N 3.26Å; G354-C359 PolarHBondContact N-SG 2.93Å
355G94.6Very high98.1Very high2 Ų215.8 Ų15.82%0.0218%0.076CC..THydrogen-bonded Turntrans51.7-138.1-175.400000112.8Y33Y33-G355 WeakPolarHBondContact CD2-O 3.33Å; Y33-G355 VanDerWaalsContact CE2-CA 3.49Å
356V97.9Very high98.1Very high0 Ų012.4 Ų12.40%06%0.061CC..THydrogen-bonded Turntrans-109.7111168.9173.70000108.2F15 A35 L51 F53 G354 L358 L388 F392 M415F15-V356 HydrophobicContact CD2-CG2 3.59Å; F15-V356 HydrophobicContact CE2-CG1 3.91Å; F15-V356 HydrophobicContact CE2-CG2 3.82Å; A35-V356 HydrophobicContact CB-CB 4.35Å; A35-V356 HydrophobicContact CB-CG1 3.9Å; L51-V356 WeakPolarHBondContact CD1-O 3.43Å; F53-V356 HydrophobicContact CD2-CB 4.29Å; G354-V356 PolarHBondContact O-N 3.43Å; V356-L358 VanDerWaalsContact C-N 3.26Å; V356-L358 PolarHBondContact O-N 3.39Å; V356-L388 HydrophobicContact CG2-CD1 3.5Å; V356-F392 HydrophobicContact CG1-CE2 4.31Å; V356-F392 HydrophobicContact CG1-CZ 3.92Å; V356-M415 HydrophobicContact CG1-CE 4.3Å
357G98.1Very high98.1Very high2 Ų23.8 Ų3.82%0.0212%0.024CC..THydrogen-bonded Turntrans78.9-2.3172.900000115.5C359 E360 L361G357-C359 VanDerWaalsContact C-N 3.32Å; G357-C359 PolarHBondContact O-N 3.3Å; G357-E360 WeakPolarHBondContact CA-OE2 3.41Å; G357-E360 WeakPolarHBondContact O-CB 3.39Å; G357-E360 PolarHBondContact O-N 2.95Å; G357-E360 VanDerWaalsContact O-N 3.15Å; G357-L361 WeakPolarHBondContact O-CD1 3.45Å; G357-L361 PolarHBondContact O-N 2.87Å
358L98.8Very high98.1Very high0 Ų02.9 Ų2.90%02%0.018CC..Hα-helixtrans-68.4-37.3-174.9-53.2177.7000110.9F53 C327 H352 G354 V356 E360 L361 V362F53-L358 HydrophobicContact CB-CD1 4.24Å; F53-L358 HydrophobicContact CB-CD2 3.85Å; F53-L358 HydrophobicContact CB-CG 4.24Å; F53-L358 HydrophobicContact CD1-CD1 3.85Å; F53-L358 HydrophobicContact CE1-CD1 4.42Å; F53-L358 HydrophobicContact CG-CD1 4.08Å; F53-L358 HydrophobicContact CG-CG 4.45Å; C327-L358 HydrophobicContact CB-CD2 3.75Å; C327-L358 VanDerWaalsContact SG-CD2 3.53Å; H352-L358 VanDerWaalsContact CE1-CD1 3.42Å; H352-L358 WeakPolarHBondContact CE1-CD1 3.31Å; G354-L358 WeakPolarHBondContact O-CB 3.44Å; G354-L358 WeakPolarHBondContact O-CG 3.42Å; G354-L358 PolarHBondContact O-N 3.26Å; V356-L358 VanDerWaalsContact C-N 3.26Å; V356-L358 PolarHBondContact O-N 3.39Å; L358-E360 VanDerWaalsContact C-N 3.32Å; L358-E360 PolarHBondContact O-N 3.49Å; L358-L361 PolarHBondContact O-N 2.95Å; L358-V362 VanDerWaalsContact O-CB 3.29Å; L358-V362 WeakPolarHBondContact O-CB 3.38Å; L358-V362 VanDerWaalsContact O-CG1 3.24Å; L358-V362 WeakPolarHBondContact O-CG1 3.35Å; L358-V362 PolarHBondContact O-N 2.88Å
359C98.8Very high98.1Very high0 Ų02 Ų20%01%0.012CC..Hα-helixtrans-55.3-47.6170-67.20000111.1G354 G357 L361 Q363 V396 Y403G354-C359 PolarHBondContact N-SG 2.93Å; G357-C359 VanDerWaalsContact C-N 3.32Å; G357-C359 PolarHBondContact O-N 3.3Å; C359-L361 VanDerWaalsContact C-N 3.34Å; C359-L361 PolarHBondContact O-N 2.89Å; C359-Q363 WeakPolarHBondContact O-CG 3.4Å; C359-Q363 PolarHBondContact O-N 2.92Å; C359-V396 VanDerWaalsContact C-CG1 3.44Å; C359-V396 HydrophobicContact CB-CG1 3.82Å; C359-V396 HydrophobicContact CB-CG2 4.25Å; C359-V396 WeakPolarHBondContact O-CG1 3.33Å; C359-Y403 HydrophobicContact CB-CE1 4.3Å; C359-Y403 PolarHBondContact SG-OH 3.36Å; C359-Y403 VanDerWaalsContact SG-OH 3.39Å
360E98.9Very high98.1Very high1 Ų13 Ų31%0.0052%0.016CC..Hα-helixtrans-60.5-41.3-179.1-75.265.1-152.700112G357 L358 Q363 H364 H389 F392 V396G357-E360 WeakPolarHBondContact CA-OE2 3.41Å; G357-E360 WeakPolarHBondContact O-CB 3.39Å; G357-E360 PolarHBondContact O-N 2.95Å; G357-E360 VanDerWaalsContact O-N 3.15Å; L358-E360 VanDerWaalsContact C-N 3.32Å; L358-E360 PolarHBondContact O-N 3.49Å; E360-Q363 VanDerWaalsContact O-CG 3.29Å; E360-Q363 WeakPolarHBondContact O-CG 3.16Å; E360-Q363 PolarHBondContact O-NE2 3.31Å; E360-H364 PolarHBondContact O-CD2 2.96Å; E360-H389 IonicContact OE1-CE1 3.4Å; E360-H389 IonicContact OE1-CG 3.47Å; E360-H389 IonicContact OE1-ND1 3.36Å; E360-H389 PolarHBondContact OE1-ND1 3.42Å; E360-H389 IonicContact OE2-ND1 2.73Å; E360-F392 HydrophobicContact CG-CB 4.33Å; E360-F392 HydrophobicContact CG-CD1 4.13Å; E360-F392 HydrophobicContact CG-CD2 4.28Å; E360-F392 HydrophobicContact CG-CG 3.97Å; E360-V396 HydrophobicContact CB-CG1 4.4Å; E360-V396 HydrophobicContact CG-CG1 4.06Å; E360-V396 PolarHBondContact OE1-N 2.93Å
361L98.9Very high98.1Very high0 Ų03 Ų30%02%0.016CC..Hα-helixtrans-83.4-52.9-177.8-83.265.4000111.6L51 S326 G357 L358 C359 Q363 H364 Y411 C413L51-L361 HydrophobicContact CD1-CD2 4.48Å; S326-L361 WeakPolarHBondContact OG-CB 3.47Å; G357-L361 WeakPolarHBondContact O-CD1 3.45Å; G357-L361 PolarHBondContact O-N 2.87Å; L358-L361 PolarHBondContact O-N 2.95Å; C359-L361 VanDerWaalsContact C-N 3.34Å; C359-L361 PolarHBondContact O-N 2.89Å; L361-Q363 PolarHBondContact O-N 3.03Å; L361-H364 PolarHBondContact O-N 3.04Å; L361-Y411 HydrophobicContact CB-CD2 4.41Å; L361-Y411 HydrophobicContact CB-CE2 3.84Å; L361-Y411 HydrophobicContact CD2-CE1 4.3Å; L361-Y411 HydrophobicContact CG-CD1 4.4Å; L361-Y411 HydrophobicContact CG-CD2 4.16Å; L361-Y411 HydrophobicContact CG-CE1 4.25Å; L361-Y411 HydrophobicContact CG-CE2 3.99Å; L361-Y411 HydrophobicContact CG-CG 4.37Å; L361-Y411 WeakPolarHBondContact O-CE2 3.27Å; L361-C413 HydrophobicContact CD1-CB 4.42Å
362V98.8Very high98.1Very high0 Ų03.6 Ų3.60%02%0.02CC..Hα-helixtrans-68-25.4-165.985.40000113.1I324 P351 A353 L358 H364 L365 I366I324-V362 HydrophobicContact CG1-CG2 4.39Å; P351-V362 HydrophobicContact CB-CB 4.36Å; P351-V362 HydrophobicContact CB-CG1 4.08Å; P351-V362 HydrophobicContact CB-CG2 3.35Å; P351-V362 HydrophobicContact CG-CG2 4.12Å; A353-V362 HydrophobicContact CB-CG1 3.92Å; L358-V362 VanDerWaalsContact O-CB 3.29Å; L358-V362 WeakPolarHBondContact O-CB 3.38Å; L358-V362 VanDerWaalsContact O-CG1 3.24Å; L358-V362 WeakPolarHBondContact O-CG1 3.35Å; L358-V362 PolarHBondContact O-N 2.88Å; V362-H364 PolarHBondContact O-N 3.36Å; V362-L365 HydrophobicContact CG2-CD1 4.32Å; V362-L365 WeakPolarHBondContact O-CB 3.23Å; V362-L365 PolarHBondContact O-N 3.4Å; V362-I366 PolarHBondContact O-N 2.9Å; V362-I366 VanDerWaalsContact O-N 3.16Å
363Q98.9Very high98.1Very high3 Ų32.7 Ų2.71%0.0142%0.016CC..Hα-helixtrans-54.6-35.1172.666.5-179.3-32.300112.1C359 E360 L361 L367 Y403 P406C359-Q363 WeakPolarHBondContact O-CG 3.4Å; C359-Q363 PolarHBondContact O-N 2.92Å; E360-Q363 VanDerWaalsContact O-CG 3.29Å; E360-Q363 WeakPolarHBondContact O-CG 3.16Å; E360-Q363 PolarHBondContact O-NE2 3.31Å; L361-Q363 PolarHBondContact O-N 3.03Å; Q363-L367 WeakPolarHBondContact O-CB 3.37Å; Q363-L367 WeakPolarHBondContact O-CD1 3.28Å; Q363-L367 WeakPolarHBondContact O-CG 3.14Å; Q363-L367 PolarHBondContact O-N 3.22Å; Q363-Y403 HydrophobicContact CB-CD1 3.82Å; Q363-Y403 HydrophobicContact CB-CE1 4.24Å; Q363-Y403 HydrophobicContact CB-CG 4.36Å; Q363-P406 VanDerWaalsContact CD-CG 3.41Å; Q363-P406 HydrophobicContact CG-CG 4.01Å
364H98.9Very high98.2Very high0 Ų03.1 Ų3.10%02%0.019CC..Hα-helixtrans-70.1-36.7-179.7-67.7-93.7000112.1L131 W132 E360 L361 V362 F368 Y411 S412L131-H364 HydrophobicContact CB-CB 4.29Å; L131-H364 HydrophobicContact CD2-CB 4.31Å; W132-H364 HydrophobicContact CB-CB 3.93Å; W132-H364 WeakPolarHBondContact CB-O 3.46Å; W132-H364 AromaticContact CD1-ND1 3.48Å; W132-H364 AromaticContact CG-ND1 3.97Å; W132-H364 PolarHBondContact N-ND1 3.01Å; W132-H364 VanDerWaalsContact N-ND1 3.19Å; E360-H364 PolarHBondContact O-CD2 2.96Å; L361-H364 PolarHBondContact O-N 3.04Å; V362-H364 PolarHBondContact O-N 3.36Å; H364-F368 PolarHBondContact O-N 3.23Å; H364-F368 VanDerWaalsContact O-N 3.11Å; H364-Y411 HydrophobicContact CB-CD2 4.21Å; H364-Y411 HydrophobicContact CB-CE2 3.89Å; H364-Y411 AromaticContact CD2-CD2 3.59Å; H364-Y411 AromaticContact CD2-CE2 3.91Å; H364-Y411 AromaticContact CG-CD2 3.97Å; H364-S412 PolarHBondContact NE2-OG 3.12Å
365L98.9Very high98.5Very high0 Ų05 Ų50%03%0.033CC..Hα-helixtrans-68.7-42.6-179-59.6179000110.8I324 V332 N335 V362 F368 D369 Y411I324-L365 HydrophobicContact CD1-CB 4.28Å; I324-L365 HydrophobicContact CD1-CD1 4.34Å; V332-L365 HydrophobicContact CB-CD2 4.3Å; V332-L365 HydrophobicContact CG1-CD2 3.93Å; V332-L365 HydrophobicContact CG2-CD2 4.18Å; N335-L365 HydrophobicContact CB-CD1 3.81Å; N335-L365 HydrophobicContact CB-CD2 4.43Å; V362-L365 HydrophobicContact CG2-CD1 4.32Å; V362-L365 WeakPolarHBondContact O-CB 3.23Å; V362-L365 PolarHBondContact O-N 3.4Å; L365-F368 PolarHBondContact O-N 3.49Å; L365-D369 PolarHBondContact O-N 3.49Å; L365-Y411 WeakPolarHBondContact CG-OH 3.45Å
366I98.8Very high98.7Very high1 Ų17.5 Ų7.51%0.0055%0.047CC..Hα-helixtrans-79-28.6-177.4-157.166.6000113Y184 V349 P351 V362 D369 Y370 C382Y184-I366 HydrophobicContact CD1-CG1 4.41Å; Y184-I366 HydrophobicContact CD1-CG2 4.05Å; Y184-I366 HydrophobicContact CD2-CG1 4.35Å; Y184-I366 HydrophobicContact CD2-CG2 4.07Å; Y184-I366 HydrophobicContact CE1-CG1 3.7Å; Y184-I366 HydrophobicContact CE1-CG2 4.18Å; Y184-I366 HydrophobicContact CE2-CB 4.32Å; Y184-I366 HydrophobicContact CE2-CG1 3.58Å; Y184-I366 HydrophobicContact CE2-CG2 4.14Å; Y184-I366 WeakPolarHBondContact CE2-O 3.37Å; Y184-I366 HydrophobicContact CG-CG2 4.04Å; Y184-I366 WeakPolarHBondContact OH-CG1 3.27Å; V349-I366 HydrophobicContact CB-CD1 4.09Å; V349-I366 HydrophobicContact CG1-CD1 3.97Å; P351-I366 HydrophobicContact CG-CB 3.81Å; P351-I366 HydrophobicContact CG-CD1 3.68Å; P351-I366 HydrophobicContact CG-CG1 3.79Å; P351-I366 HydrophobicContact CG-CG2 4.47Å; V362-I366 PolarHBondContact O-N 2.9Å; V362-I366 VanDerWaalsContact O-N 3.16Å; I366-D369 HydrophobicContact CD1-CB 4.04Å; I366-D369 PolarHBondContact O-N 3.36Å; I366-Y370 PolarHBondContact O-N 3.08Å; I366-C382 HydrophobicContact CG2-CB 4.33Å
367L98.9Very high98.7Very high0 Ų010.1 Ų10.10%06%0.06CC..Hα-helixtrans-61.1-47.1166.3-75.8168.8000110.8W132 M179 Y184 Q363 Y370 I371 T405W132-L367 HydrophobicContact CB-CB 3.99Å; W132-L367 HydrophobicContact CB-CD1 4.21Å; W132-L367 HydrophobicContact CD2-CD1 4.32Å; W132-L367 HydrophobicContact CG-CB 4.33Å; W132-L367 HydrophobicContact CG-CD1 3.91Å; M179-L367 HydrophobicContact CB-CD2 3.85Å; M179-L367 HydrophobicContact CG-CD2 3.86Å; M179-L367 HydrophobicContact SD-CD2 3.86Å; Y184-L367 HydrophobicContact CD2-CD2 4.42Å; Q363-L367 WeakPolarHBondContact O-CB 3.37Å; Q363-L367 WeakPolarHBondContact O-CD1 3.28Å; Q363-L367 WeakPolarHBondContact O-CG 3.14Å; Q363-L367 PolarHBondContact O-N 3.22Å; L367-Y370 PolarHBondContact O-N 3.44Å; L367-I371 WeakPolarHBondContact O-CB 3.49Å; L367-I371 WeakPolarHBondContact O-CD1 3.43Å; L367-I371 VanDerWaalsContact O-CG1 3.23Å; L367-I371 WeakPolarHBondContact O-CG1 3Å; L367-I371 PolarHBondContact O-N 2.96Å; L367-T405 HydrophobicContact CD1-CG2 3.96Å; L367-T405 HydrophobicContact CD2-CG2 3.77Å
368F98.9Very high98.7Very high2 Ų213.9 Ų13.91%0.0099%0.086CC..Hα-helixtrans-60.7-44.5173.8167.3-97.7000111.8L135 V136 V143 L165 L336 L339 H364 L365 Y370 I371 C372 V373L135-F368 HydrophobicContact CB-CB 4.23Å; L135-F368 HydrophobicContact CB-CD2 3.45Å; L135-F368 VanDerWaalsContact CB-CD2 3.45Å; L135-F368 HydrophobicContact CB-CE2 3.99Å; L135-F368 HydrophobicContact CB-CG 3.92Å; L135-F368 HydrophobicContact CD1-CB 4.13Å; L135-F368 HydrophobicContact CD1-CD2 4.49Å; L135-F368 HydrophobicContact CD1-CG 4.14Å; V136-F368 HydrophobicContact CG2-CD2 4.31Å; V143-F368 HydrophobicContact CG1-CZ 4.15Å; L165-F368 HydrophobicContact CD2-CZ 3.89Å; L336-F368 HydrophobicContact CD2-CD1 3.61Å; L336-F368 HydrophobicContact CD2-CE1 3.15Å; L336-F368 HydrophobicContact CD2-CZ 3.79Å; L339-F368 HydrophobicContact CD1-CD1 4.19Å; H364-F368 PolarHBondContact O-N 3.23Å; H364-F368 VanDerWaalsContact O-N 3.11Å; L365-F368 PolarHBondContact O-N 3.49Å; F368-Y370 PolarHBondContact O-N 2.94Å; F368-I371 PolarHBondContact O-N 2.84Å; F368-C372 HydrophobicContact CD2-CB 3.74Å; F368-C372 HydrophobicContact CE2-CB 3.42Å; F368-C372 VanDerWaalsContact CE2-CB 3.42Å; F368-C372 HydrophobicContact CZ-CB 3.95Å; F368-C372 WeakPolarHBondContact O-CB 3.46Å; F368-C372 PolarHBondContact O-N 3.22Å; F368-V373 HydrophobicContact CD1-CG2 4.23Å; F368-V373 HydrophobicContact CE1-CG2 3.51Å; F368-V373 HydrophobicContact CZ-CG2 3.93Å
369D98.9Very high98.6Very high2 Ų215.6 Ų15.61%0.01110%0.104CC..Hα-helixtrans-54.4-53.4177.2174.870.9000111.3L339 L365 I366 I371 V373 S374L339-D369 HydrophobicContact CD1-CB 4.12Å; L339-D369 HydrophobicContact CD2-CB 3.88Å; L365-D369 PolarHBondContact O-N 3.49Å; I366-D369 HydrophobicContact CD1-CB 4.04Å; I366-D369 PolarHBondContact O-N 3.36Å; D369-I371 PolarHBondContact O-N 2.77Å; D369-V373 CarbonylContact O-C 3.44Å; D369-V373 VanDerWaalsContact O-CA 3.31Å; D369-V373 WeakPolarHBondContact O-CA 3.25Å; D369-V373 WeakPolarHBondContact O-CB 3.46Å; D369-V373 PolarHBondContact O-N 3.34Å; D369-S374 PolarHBondContact O-N 2.82Å; D369-S374 PolarHBondContact O-OG 3.34Å; D369-S374 WeakPolarHBondContact OD2-CB 3.38Å; D369-S374 PolarHBondContact OD2-OG 3.31Å
370Y98.9Very high98.6Very high22 Ų2216.6 Ų16.69%0.08611%0.108CC..Iπ-helixtrans-62.7-43.1-179.3172.9-106.6000112.7R175 L178 M179 I366 L367 F368 A375 L377R175-Y370 HydrophobicContact CB-CD1 4.14Å; R175-Y370 HydrophobicContact CB-CE1 3.53Å; R175-Y370 WeakPolarHBondContact CD-O 3.35Å; R175-Y370 HydrophobicContact CG-CE1 3.81Å; R175-Y370 HydrophobicContact CG-CE2 4.47Å; R175-Y370 PolarHBondContact NE-O 3.23Å; R175-Y370 VanDerWaalsContact NE-O 3.08Å; L178-Y370 HydrophobicContact CD2-CE1 4.25Å; L178-Y370 WeakPolarHBondContact CD2-OH 3.15Å; M179-Y370 HydrophobicContact CE-CD1 3.74Å; M179-Y370 HydrophobicContact CE-CE1 3.5Å; M179-Y370 HydrophobicContact CG-CD1 3.5Å; M179-Y370 VanDerWaalsContact CG-CD1 3.5Å; M179-Y370 HydrophobicContact CG-CE1 3.82Å; M179-Y370 HydrophobicContact SD-CD1 3.63Å; M179-Y370 HydrophobicContact SD-CE1 4.02Å; M179-Y370 HydrophobicContact SD-CG 4.4Å; I366-Y370 PolarHBondContact O-N 3.08Å; L367-Y370 PolarHBondContact O-N 3.44Å; F368-Y370 PolarHBondContact O-N 2.94Å; Y370-A375 VanDerWaalsContact O-CA 3.25Å; Y370-A375 WeakPolarHBondContact O-CA 3.27Å; Y370-A375 PolarHBondContact O-N 3.04Å; Y370-L377 HydrophobicContact CD2-CD2 3.57Å; Y370-L377 HydrophobicContact CD2-CG 3.73Å; Y370-L377 HydrophobicContact CE2-CD1 4.19Å; Y370-L377 HydrophobicContact CE2-CD2 3.94Å; Y370-L377 HydrophobicContact CE2-CG 3.56Å; Y370-L377 HydrophobicContact CG-CD2 4.01Å
371I98.9Very high98.6Very high0 Ų016.9 Ų16.90%011%0.109CC..Iπ-helixtrans-74.3-36.9-175.1-62.9167.8000111.4W132 V136 K172 R175 E176 M179 L367 F368 D369W132-I371 HydrophobicContact CE3-CD1 4Å; W132-I371 HydrophobicContact CZ3-CD1 3.82Å; V136-I371 HydrophobicContact CG1-CG2 3.88Å; V136-I371 HydrophobicContact CG2-CB 3.93Å; V136-I371 HydrophobicContact CG2-CD1 3.98Å; V136-I371 HydrophobicContact CG2-CG2 3.78Å; K172-I371 HydrophobicContact CG-CG2 3.73Å; R175-I371 HydrophobicContact CB-CG1 4.43Å; R175-I371 PolarHBondContact NE-O 3.22Å; R175-I371 PolarHBondContact NH2-O 3.08Å; E176-I371 HydrophobicContact CB-CD1 4.24Å; E176-I371 HydrophobicContact CB-CG2 4.3Å; E176-I371 HydrophobicContact CG-CD1 4.34Å; M179-I371 HydrophobicContact CB-CD1 4.36Å; M179-I371 HydrophobicContact CG-CD1 4.16Å; M179-I371 HydrophobicContact CG-CG1 4.12Å; L367-I371 WeakPolarHBondContact O-CB 3.49Å; L367-I371 WeakPolarHBondContact O-CD1 3.43Å; L367-I371 VanDerWaalsContact O-CG1 3.23Å; L367-I371 WeakPolarHBondContact O-CG1 3Å; L367-I371 PolarHBondContact O-N 2.96Å; F368-I371 PolarHBondContact O-N 2.84Å; D369-I371 PolarHBondContact O-N 2.77Å
372C98.8Very high98.5Very high13 Ų1316.9 Ų16.99%0.08811%0.109CC..Iπ-helixtrans-125.8-3.3-165.9-75.40000115.7L165 A168 F368L165-C372 WeakPolarHBondContact CD2-O 3.41Å; A168-C372 VanDerWaalsContact CB-C 3.42Å; A168-C372 WeakPolarHBondContact CB-O 3.37Å; F368-C372 HydrophobicContact CD2-CB 3.74Å; F368-C372 HydrophobicContact CE2-CB 3.42Å; F368-C372 VanDerWaalsContact CE2-CB 3.42Å; F368-C372 HydrophobicContact CZ-CB 3.95Å; F368-C372 WeakPolarHBondContact O-CB 3.46Å; F368-C372 PolarHBondContact O-N 3.22Å
373V98.9Very high98.5Very high2 Ų217.1 Ų17.11%0.01211%0.11CC..Iπ-helixtrans-130.1-71.4-178-177.90000111.5I164 L165 L340 H343 F368 D369I164-V373 HydrophobicContact CG2-CG1 4.09Å; L165-V373 HydrophobicContact CD2-CG2 3.96Å; L340-V373 HydrophobicContact CD2-CG1 4.12Å; L340-V373 HydrophobicContact CD2-CG2 4.29Å; H343-V373 HydrophobicContact CB-CG1 3.69Å; H343-V373 PolarHBondContact CE1-O 2.92Å; H343-V373 VanDerWaalsContact CE1-O 3.23Å; H343-V373 PolarHBondContact ND1-O 2.94Å; F368-V373 HydrophobicContact CD1-CG2 4.23Å; F368-V373 HydrophobicContact CE1-CG2 3.51Å; F368-V373 HydrophobicContact CZ-CG2 3.93Å; D369-V373 CarbonylContact O-C 3.44Å; D369-V373 VanDerWaalsContact O-CA 3.31Å; D369-V373 WeakPolarHBondContact O-CA 3.25Å; D369-V373 WeakPolarHBondContact O-CB 3.46Å; D369-V373 PolarHBondContact O-N 3.34Å
374S98.6Very high98.5Very high11 Ų1118.1 Ų18.18%0.07711%0.114CC..Iπ-helixtrans-78.1-35.9-171.466.10000114D369 D376D369-S374 PolarHBondContact O-N 2.82Å; D369-S374 PolarHBondContact O-OG 3.34Å; D369-S374 WeakPolarHBondContact OD2-CB 3.38Å; D369-S374 PolarHBondContact OD2-OG 3.31Å; S374-D376 PolarHBondContact O-N 3.22Å; S374-D376 VanDerWaalsContact O-N 3.08Å; S374-D376 PolarHBondContact OG-O 3.13Å
375A98.4Very high98.3Very high43 Ų4318.2 Ų18.236%0.35512%0.115SC..  trans52.823.7-175.300000114.4Y370Y370-A375 VanDerWaalsContact O-CA 3.25Å; Y370-A375 WeakPolarHBondContact O-CA 3.27Å; Y370-A375 PolarHBondContact O-N 3.04Å
376D97.7Very high98Very high56 Ų5623 Ų2330%0.29914%0.14SC..  trans-145.9141.7-171.4178.628000110.2S374 S378 R380S374-D376 PolarHBondContact O-N 3.22Å; S374-D376 VanDerWaalsContact O-N 3.08Å; S374-D376 PolarHBondContact OG-O 3.13Å; D376-S378 WeakPolarHBondContact OD1-CB 3.4Å; D376-S378 PolarHBondContact OD1-N 2.64Å; D376-S378 PolarHBondContact OD1-OG 3.4Å; D376-S378 WeakPolarHBondContact OD2-CB 3.16Å; D376-R380 WeakPolarHBondContact O-CD 3.33Å; D376-R380 IonicContact OD2-CZ 3.51Å; D376-R380 IonicContact OD2-NH1 3.75Å; D376-R380 PolarHBondContact OD2-NH1 3.07Å
377L98.2Very high97.7Very high54 Ų5424.5 Ų24.528%0.28315%0.147SC..  trans-109.3-1.9173.6-67.6177.3000112.4M179 Y184 P185 Y370 G379 R380M179-L377 HydrophobicContact CE-CD1 4.16Å; Y184-L377 HydrophobicContact CD2-CD2 4.29Å; Y184-L377 HydrophobicContact CE2-CD2 3.72Å; P185-L377 HydrophobicContact CG-CD1 4.43Å; P185-L377 HydrophobicContact CG-CD2 4.11Å; Y370-L377 HydrophobicContact CD2-CD2 3.57Å; Y370-L377 HydrophobicContact CD2-CG 3.73Å; Y370-L377 HydrophobicContact CE2-CD1 4.19Å; Y370-L377 HydrophobicContact CE2-CD2 3.94Å; Y370-L377 HydrophobicContact CE2-CG 3.56Å; Y370-L377 HydrophobicContact CG-CD2 4.01Å; L377-G379 PolarHBondContact O-N 2.69Å; L377-R380 PolarHBondContact O-N 3.05Å; L377-R380 VanDerWaalsContact O-N 3.09Å
378S97.6Very high97.6Very high81 Ų8125.3 Ų25.357%0.56615%0.151SC*.THydrogen-bonded Turntrans-61.7120.5-179-52.10000110.1D376 R380D376-S378 WeakPolarHBondContact OD1-CB 3.4Å; D376-S378 PolarHBondContact OD1-N 2.64Å; D376-S378 PolarHBondContact OD1-OG 3.4Å; D376-S378 WeakPolarHBondContact OD2-CB 3.16Å; S378-R380 PolarHBondContact O-N 2.65Å; S378-R380 PolarHBondContact O-NH1 2.78Å
379G96.5Very high97.6Very high36 Ų3626.1 Ų26.137%0.37116%0.155SC..THydrogen-bonded Turntrans66.215-178.900000114.9P348 C350 L377P348-G379 WeakPolarHBondContact CB-O 3.3Å; C350-G379 PolarHBondContact SG-O 3.44Å; L377-G379 PolarHBondContact O-N 2.69Å
380R98.7Very high97.5Very high22 Ų2232 Ų328%0.08318%0.182CC..  trans-115.9139-179.2-66.8167.6179.281.5-9.6111.3Y184 P348 D376 L377 S378Y184-R380 WeakPolarHBondContact OH-CB 3.46Å; P348-R380 HydrophobicContact CB-CG 3.54Å; D376-R380 WeakPolarHBondContact O-CD 3.33Å; D376-R380 IonicContact OD2-CZ 3.51Å; D376-R380 IonicContact OD2-NH1 3.75Å; D376-R380 PolarHBondContact OD2-NH1 3.07Å; L377-R380 PolarHBondContact O-N 3.05Å; L377-R380 VanDerWaalsContact O-N 3.09Å; S378-R380 PolarHBondContact O-N 2.65Å; S378-R380 PolarHBondContact O-NH1 2.78Å
381M98.4Very high97.5Very high7 Ų731.9 Ų31.93%0.03418%0.183CC..  trans-164.8144.7-177.153.7-158.485.600109P185 Y187 R215 M245 L270 W271 C350P185-M381 CarbonylContact O-C 3.52Å; P185-M381 VanDerWaalsContact O-CA 3.28Å; P185-M381 WeakPolarHBondContact O-CA 3.49Å; Y187-M381 HydrophobicContact CD1-CB 4.08Å; Y187-M381 HydrophobicContact CD1-CG 3.6Å; Y187-M381 HydrophobicContact CD1-SD 4.19Å; Y187-M381 HydrophobicContact CE1-CG 4.15Å; Y187-M381 HydrophobicContact CG-CG 4.49Å; R215-M381 WeakPolarHBondContact CD-SD 3.43Å; M245-M381 HydrophobicContact CE-SD 3.93Å; L270-M381 HydrophobicContact CD2-CE 4.17Å; W271-M381 HydrophobicContact CH2-CG 4.28Å; W271-M381 HydrophobicContact CH2-SD 4.06Å; W271-M381 HydrophobicContact CZ3-CE 4.4Å; W271-M381 HydrophobicContact CZ3-CG 4.5Å; W271-M381 HydrophobicContact CZ3-SD 3.99Å; C350-M381 WeakPolarHBondContact CA-O 3.46Å; C350-M381 WeakPolarHBondContact CB-O 3.49Å
382C98.7Very high97.5Very high0 Ų032.2 Ų32.20%018%0.184CC..EExtended strand (participates in β ladder)trans-95136176.3-166.90000110.3Y184 P185 A186 Y187 I366 Y403Y184-C382 HydrophobicContact CD1-CB 4.1Å; Y184-C382 HydrophobicContact CE1-CB 4.37Å; P185-C382 PolarHBondContact O-N 3.18Å; A186-C382 CarbonylContact C-O 3.37Å; A186-C382 WeakPolarHBondContact CA-O 3.43Å; Y187-C382 WeakPolarHBondContact CD1-O 3.35Å; Y187-C382 PolarHBondContact N-O 3.09Å; I366-C382 HydrophobicContact CG2-CB 4.33Å; C382-Y403 HydrophobicContact CB-CD2 3.93Å; C382-Y403 HydrophobicContact CB-CE2 3.77Å
383E98.8Very high97.5Very high4 Ų434.2 Ų34.22%0.01920%0.196CC..EExtended strand (participates in β ladder)trans-61.5143.2170.9-175.4160-148.100110.8Y187 T189 K217 P351 H352 A353 V385 Y403Y187-E383 HydrophobicContact CD1-CB 4.42Å; Y187-E383 HydrophobicContact CE1-CB 3.63Å; Y187-E383 HydrophobicContact CE1-CG 4.37Å; Y187-E383 HydrophobicContact CE2-CB 4Å; Y187-E383 HydrophobicContact CE2-CG 3.81Å; Y187-E383 WeakPolarHBondContact OH-CB 3.27Å; T189-E383 WeakPolarHBondContact CB-OE1 3.45Å; T189-E383 PolarHBondContact OG1-OE1 3.47Å; K217-E383 WeakPolarHBondContact CE-OE1 3.36Å; K217-E383 IonicContact NZ-OE1 2.98Å; K217-E383 PolarHBondContact NZ-OE1 3.26Å; K217-E383 IonicContact NZ-OE2 2.7Å; K217-E383 PolarHBondContact NZ-OE2 3.09Å; P351-E383 WeakPolarHBondContact O-CB 3.49Å; P351-E383 PolarHBondContact O-N 2.8Å; H352-E383 WeakPolarHBondContact CA-OE2 3.22Å; H352-E383 IonicContact CD2-OE2 3.71Å; H352-E383 PolarHBondContact CD2-OE2 2.84Å; H352-E383 IonicContact CG-OE2 2.78Å; A353-E383 HydrophobicContact CB-CB 3.72Å; A353-E383 HydrophobicContact CB-CG 4.16Å; A353-E383 WeakPolarHBondContact CB-O 3.21Å; A353-E383 PolarHBondContact N-OE2 3.42Å; E383-V385 HydrophobicContact CG-CG2 4.5Å; E383-Y403 PolarHBondContact O-OH 3.08Å
384Y98.3Very high97.4Very high25 Ų2535 Ų3510%0.09820%0.201CC..EExtended strand (participates in β ladder)trans-131.5135.1166.6177.5-100.9000110.7Y187 T189 W213 D386 H389 V396 I398 Y403Y187-Y384 PolarHBondContact O-N 3.18Å; T189-Y384 PolarHBondContact N-O 3.33Å; T189-Y384 VanDerWaalsContact N-O 3.08Å; W213-Y384 AromaticContact CH2-CD1 3.4Å; W213-Y384 HydrophobicContact CH2-CD1 3.4Å; W213-Y384 VanDerWaalsContact CH2-CD1 3.4Å; W213-Y384 HydrophobicContact CH2-CE1 4.3Å; W213-Y384 AromaticContact CH2-CG 3.68Å; W213-Y384 HydrophobicContact CH2-CG 3.68Å; W213-Y384 AromaticContact CZ2-CD1 3.42Å; W213-Y384 HydrophobicContact CZ2-CD1 3.42Å; W213-Y384 VanDerWaalsContact CZ2-CD1 3.42Å; W213-Y384 AromaticContact CZ2-CE1 3.9Å; W213-Y384 HydrophobicContact CZ2-CE1 3.9Å; W213-Y384 HydrophobicContact CZ2-CG 4.13Å; Y384-D386 HydrophobicContact CE1-CB 3.7Å; Y384-D386 PolarHBondContact OH-OD1 3.05Å; Y384-H389 AromaticContact CE2-NE2 3.51Å; Y384-H389 AromaticContact CZ-NE2 3.75Å; Y384-V396 HydrophobicContact CD2-CG2 4.48Å; Y384-V396 HydrophobicContact CE2-CG2 3.83Å; Y384-I398 HydrophobicContact CD1-CG1 4.35Å; Y384-I398 HydrophobicContact CD2-CD1 3.66Å; Y384-I398 HydrophobicContact CD2-CG1 3.5Å; Y384-I398 VanDerWaalsContact CD2-CG1 3.5Å; Y384-I398 HydrophobicContact CE1-CG1 4.19Å; Y384-I398 HydrophobicContact CE2-CD1 3.97Å; Y384-I398 HydrophobicContact CE2-CG1 3.3Å; Y384-I398 HydrophobicContact CG-CD1 4.16Å; Y384-I398 HydrophobicContact CG-CG1 4.03Å; Y384-Y403 WeakPolarHBondContact CA-OH 3.48Å; Y384-Y403 HydrophobicContact CD2-CE1 4.37Å; Y384-Y403 AromaticContact CD2-CZ 3.89Å; Y384-Y403 WeakPolarHBondContact CD2-OH 3.33Å
385V94.8Very high97.4Very high2 Ų237.1 Ų37.11%0.01222%0.215CC..  trans-129.3135.4170.2174.50000107T189 S190 W193 E383 H387 H389T189-V385 HydrophobicContact CG2-CG2 4.45Å; S190-V385 WeakPolarHBondContact OG-CA 3.47Å; W193-V385 HydrophobicContact CH2-CG1 4.41Å; W193-V385 HydrophobicContact CH2-CG2 3.99Å; W193-V385 HydrophobicContact CZ2-CG1 3.75Å; W193-V385 HydrophobicContact CZ2-CG2 3.92Å; E383-V385 HydrophobicContact CG-CG2 4.5Å; V385-H387 HydrophobicContact CG1-CB 4.05Å; V385-H387 WeakPolarHBondContact CG1-ND1 3.41Å; V385-H387 PolarHBondContact O-N 3.43Å; V385-H389 PolarHBondContact O-CE1 3.27Å; V385-H389 PolarHBondContact O-NE2 3.43Å
386D92.8Very high97.4Very high101 Ų10135.7 Ų35.754%0.5420%0.202SC..  trans-93.662.3-170.4-166.933.4000111.1S190 Y384 H389S190-D386 PolarHBondContact OG-N 3.34Å; Y384-D386 HydrophobicContact CE1-CB 3.7Å; Y384-D386 PolarHBondContact OH-OD1 3.05Å; D386-H389 IonicContact OD1-CD2 2.71Å
387H92.3Very high97.4Very high31 Ų3137 Ų3714%0.14421%0.212CC..SBendtrans-141.2134.8-172-73.788.3000111.4H22 V385 H389H22-H387 WeakPolarHBondContact CB-NE2 3.39Å; H22-H387 AromaticContact CD2-CD2 3.73Å; H22-H387 AromaticContact CD2-NE2 3.33Å; H22-H387 PolarHBondContact CD2-NE2 2.88Å; H22-H387 VanDerWaalsContact CD2-NE2 3.33Å; H22-H387 AromaticContact CE1-NE2 3.77Å; H22-H387 AromaticContact CG-CD2 3.79Å; H22-H387 AromaticContact CG-NE2 3.13Å; H22-H387 AromaticContact ND1-NE2 3.43Å; H22-H387 PolarHBondContact ND1-NE2 2.96Å; H22-H387 AromaticContact NE2-NE2 3.68Å; V385-H387 HydrophobicContact CG1-CB 4.05Å; V385-H387 WeakPolarHBondContact CG1-ND1 3.41Å; V385-H387 PolarHBondContact O-N 3.43Å; H387-H389 PolarHBondContact N-NE2 2.92Å; H387-H389 PolarHBondContact O-N 2.93Å; H387-H389 VanDerWaalsContact O-N 3.16Å
388L96.6Very high97.4Very high17 Ų1736.4 Ų36.49%0.08921%0.209CC..SBendtrans68.26.8166.3-53.6178.4000116.3F15 T17 Y33 V356 E390 H391F15-L388 HydrophobicContact CB-CD1 3.9Å; F15-L388 HydrophobicContact CB-CD2 4.02Å; F15-L388 HydrophobicContact CD1-CD1 4.49Å; F15-L388 HydrophobicContact CD1-CD2 3.86Å; F15-L388 HydrophobicContact CD2-CD1 3.8Å; F15-L388 HydrophobicContact CE2-CD1 4.47Å; F15-L388 HydrophobicContact CG-CD1 3.8Å; F15-L388 HydrophobicContact CG-CD2 3.91Å; F15-L388 HydrophobicContact CG-CG 4.48Å; T17-L388 HydrophobicContact CG2-CD1 4.23Å; Y33-L388 HydrophobicContact CD2-CD1 4.08Å; V356-L388 HydrophobicContact CG2-CD1 3.5Å; L388-E390 VanDerWaalsContact C-OE2 3.22Å; L388-E390 VanDerWaalsContact CA-OE2 3.3Å; L388-E390 WeakPolarHBondContact CA-OE2 3.27Å; L388-E390 PolarHBondContact N-OE2 3.3Å; L388-E390 PolarHBondContact O-N 2.98Å; L388-H391 WeakPolarHBondContact O-CB 3.31Å; L388-H391 PolarHBondContact O-CD2 3.24Å; L388-H391 PolarHBondContact O-N 3.37Å; L388-H391 VanDerWaalsContact O-N 3.16Å
389H98.1Very high97.4Very high19 Ų1937.7 Ų37.79%0.08821%0.206CC..G310 helixtrans-59.5-32.6177.9-56.6-50.6000112.7E360 Y384 V385 D386 H387 H391 F392 P395E360-H389 IonicContact OE1-CE1 3.4Å; E360-H389 IonicContact OE1-CG 3.47Å; E360-H389 IonicContact OE1-ND1 3.36Å; E360-H389 PolarHBondContact OE1-ND1 3.42Å; E360-H389 IonicContact OE2-ND1 2.73Å; Y384-H389 AromaticContact CE2-NE2 3.51Å; Y384-H389 AromaticContact CZ-NE2 3.75Å; V385-H389 PolarHBondContact O-CE1 3.27Å; V385-H389 PolarHBondContact O-NE2 3.43Å; D386-H389 IonicContact OD1-CD2 2.71Å; H387-H389 PolarHBondContact N-NE2 2.92Å; H387-H389 PolarHBondContact O-N 2.93Å; H387-H389 VanDerWaalsContact O-N 3.16Å; H389-H391 PolarHBondContact O-N 2.87Å; H389-F392 PolarHBondContact O-N 3.45Å; H389-P395 HydrophobicContact CB-CB 4.05Å; H389-P395 WeakPolarHBondContact O-CB 3.09Å
390E98.3Very high97.3Very high125 Ų12541.4 Ų41.458%0.58422%0.217SC*.G310 helixtrans-61.8-12.2178.671.1-86.4-153.400113.9L388 L416L388-E390 VanDerWaalsContact C-OE2 3.22Å; L388-E390 VanDerWaalsContact CA-OE2 3.3Å; L388-E390 WeakPolarHBondContact CA-OE2 3.27Å; L388-E390 PolarHBondContact N-OE2 3.3Å; L388-E390 PolarHBondContact O-N 2.98Å; E390-L416 VanDerWaalsContact O-CD1 3.24Å; E390-L416 WeakPolarHBondContact O-CD1 3.24Å
391H98.6Very high97.2Very high20 Ų2040.4 Ų40.49%0.09321%0.214CC..G310 helixtrans-89.2-4177.5-58.4-53.2000113.8F15 L388 H389 M415 L416 S419 H423F15-H391 AromaticContact CD1-CD2 3.8Å; F15-H391 AromaticContact CD1-NE2 3.63Å; F15-H391 HydrophobicContact CE1-CB 4.4Å; F15-H391 AromaticContact CE1-CD2 3.18Å; F15-H391 WeakPolarHBondContact CE1-CD2 3.33Å; F15-H391 AromaticContact CE1-CE1 3.85Å; F15-H391 AromaticContact CE1-CG 3.62Å; F15-H391 AromaticContact CE1-NE2 3.32Å; F15-H391 VanDerWaalsContact CE1-NE2 3.32Å; F15-H391 WeakPolarHBondContact CE1-NE2 3.19Å; F15-H391 HydrophobicContact CZ-CB 4.25Å; F15-H391 AromaticContact CZ-CD2 3.71Å; F15-H391 AromaticContact CZ-CG 3.95Å; L388-H391 WeakPolarHBondContact O-CB 3.31Å; L388-H391 PolarHBondContact O-CD2 3.24Å; L388-H391 PolarHBondContact O-N 3.37Å; L388-H391 VanDerWaalsContact O-N 3.16Å; H389-H391 PolarHBondContact O-N 2.87Å; H391-M415 HydrophobicContact CB-CE 4.27Å; H391-M415 CarbonylContact O-C 3.42Å; H391-M415 WeakPolarHBondContact O-CA 3.27Å; H391-L416 PolarHBondContact O-N 3.02Å; H391-S419 WeakPolarHBondContact ND1-CB 3.15Å; H391-S419 PolarHBondContact ND1-OG 3.18Å; H391-H423 AromaticContact CE1-CE1 3.73Å
392F98.8Very high97.2Very high7 Ų742.5 Ų42.53%0.03122%0.223CC..BIsolated β-bridgetrans-104148.2-179.4-68-91.2000112L51 V356 E360 H389 S394 S412 E414 M415L51-F392 HydrophobicContact CD2-CE1 3.77Å; L51-F392 HydrophobicContact CD2-CZ 3.97Å; V356-F392 HydrophobicContact CG1-CE2 4.31Å; V356-F392 HydrophobicContact CG1-CZ 3.92Å; E360-F392 HydrophobicContact CG-CB 4.33Å; E360-F392 HydrophobicContact CG-CD1 4.13Å; E360-F392 HydrophobicContact CG-CD2 4.28Å; E360-F392 HydrophobicContact CG-CG 3.97Å; H389-F392 PolarHBondContact O-N 3.45Å; F392-S394 VanDerWaalsContact C-N 3.34Å; F392-S412 WeakPolarHBondContact CD1-O 3.4Å; F392-E414 WeakPolarHBondContact CA-O 3.25Å; F392-M415 HydrophobicContact CD1-CG 4.03Å; F392-M415 HydrophobicContact CE1-CG 3.69Å; F392-M415 HydrophobicContact CZ-CG 4.11Å
393T98.5Very high97.2Very high55 Ų5542.5 Ų42.534%0.33722%0.223SC..SBendtrans-72.9-30.517656.70000112.4E414 L416T393-E414 HydrophobicContact CG2-CB 4.37Å; T393-E414 HydrophobicContact CG2-CG 3.74Å; T393-E414 PolarHBondContact N-O 2.79Å; T393-E414 WeakPolarHBondContact OG1-CB 3.4Å; T393-E414 PolarHBondContact OG1-O 3.05Å; T393-L416 HydrophobicContact CG2-CD2 3.85Å
394S97.9Very high97.2Very high18 Ų1844.5 Ų44.513%0.12623%0.234CC..SBendtrans-128.668.6-179.7-59.90000109.3F392 D408 S412F392-S394 VanDerWaalsContact C-N 3.34Å; S394-D408 WeakPolarHBondContact CB-OD2 3.33Å; S394-D408 WeakPolarHBondContact OG-CB 3.44Å; S394-D408 PolarHBondContact OG-OD2 3.03Å; S394-S412 PolarHBondContact O-OG 3.09Å
395P98.3Very high97.2Very high56 Ų5644 Ų4436%0.36423%0.234SC..  trans-63.5158.8-17828.4-35.4000111.5H389H389-P395 HydrophobicContact CB-CB 4.05Å; H389-P395 WeakPolarHBondContact O-CB 3.09Å
396V98.1Very high97.4Very high14 Ų1444.7 Ų44.79%0.08524%0.238CC..  trans-59.5147.2171.1-62.90000111.2C359 E360 Y384 Y403C359-V396 VanDerWaalsContact C-CG1 3.44Å; C359-V396 HydrophobicContact CB-CG1 3.82Å; C359-V396 HydrophobicContact CB-CG2 4.25Å; C359-V396 WeakPolarHBondContact O-CG1 3.33Å; E360-V396 HydrophobicContact CB-CG1 4.4Å; E360-V396 HydrophobicContact CG-CG1 4.06Å; E360-V396 PolarHBondContact OE1-N 2.93Å; Y384-V396 HydrophobicContact CD2-CG2 4.48Å; Y384-V396 HydrophobicContact CE2-CG2 3.83Å; V396-Y403 HydrophobicContact CB-CD1 4.28Å; V396-Y403 HydrophobicContact CB-CE1 3.98Å; V396-Y403 HydrophobicContact CG1-CD1 4.25Å; V396-Y403 HydrophobicContact CG1-CE1 3.8Å; V396-Y403 HydrophobicContact CG2-CE1 4.5Å
397V98.1Very high97.7Very high83 Ų8348.6 Ų48.650%0.50325%0.25SC..  trans-121112.7174.1-176.40000108.3L404V397-L404 HydrophobicContact CB-CB 4.28Å; V397-L404 HydrophobicContact CB-CD1 4.42Å; V397-L404 HydrophobicContact CG1-CB 4.49Å; V397-L404 HydrophobicContact CG1-CD1 3.77Å; V397-L404 HydrophobicContact CG1-CG 4.27Å; V397-L404 WeakPolarHBondContact O-CB 3.47Å; V397-L404 PolarHBondContact O-N 3.4Å
398I97.9Very high98Very high42 Ų4251.1 Ų51.122%0.21527%0.265CS..EExtended strand (participates in β ladder)trans-94.7131.8173.6-60.1-59.7000110W213 Y384 H402 Y403W213-I398 HydrophobicContact CH2-CG2 4.11Å; W213-I398 HydrophobicContact CZ2-CG2 3.8Å; Y384-I398 HydrophobicContact CD1-CG1 4.35Å; Y384-I398 HydrophobicContact CD2-CD1 3.66Å; Y384-I398 HydrophobicContact CD2-CG1 3.5Å; Y384-I398 VanDerWaalsContact CD2-CG1 3.5Å; Y384-I398 HydrophobicContact CE1-CG1 4.19Å; Y384-I398 HydrophobicContact CE2-CD1 3.97Å; Y384-I398 HydrophobicContact CE2-CG1 3.3Å; Y384-I398 HydrophobicContact CG-CD1 4.16Å; Y384-I398 HydrophobicContact CG-CG1 4.03Å; I398-H402 WeakPolarHBondContact CA-O 3.46Å; I398-Y403 HydrophobicContact CD1-CD1 3.78Å; I398-Y403 HydrophobicContact CD1-CD2 3.81Å; I398-Y403 HydrophobicContact CD1-CE1 3.88Å; I398-Y403 HydrophobicContact CD1-CE2 3.89Å; I398-Y403 HydrophobicContact CD1-CG 3.73Å
399Q96.3Very high98.1Very high107 Ų10753.1 Ų53.150%0.528%0.279SS..EExtended strand (participates in β ladder)trans-134.1126.5169.9-173.1177.69.700109.5A401 H402 L404Q399-A401 PolarHBondContact O-N 2.87Å; Q399-H402 PolarHBondContact N-O 2.79Å; Q399-H402 WeakPolarHBondContact O-CB 3.25Å; Q399-H402 PolarHBondContact O-N 3.05Å; Q399-L404 HydrophobicContact CB-CD1 4.02Å; Q399-L404 HydrophobicContact CB-CD2 3.95Å; Q399-L404 HydrophobicContact CB-CG 3.99Å
400N95.3Very high98.1Very high114 Ų11452.2 Ų52.261%0.6128%0.275SS*.THydrogen-bonded Turntrans49.144.9-179.6-57.2-36.4000112.8H402N400-H402 VanDerWaalsContact C-N 3.27Å; N400-H402 PolarHBondContact O-N 3.31Å; N400-H402 PolarHBondContact O-ND1 2.91Å
401A97.1Very high98.1Very high2 Ų246.3 Ų46.32%0.01725%0.247CC..THydrogen-bonded Turntrans57.832.6-175.300000114.9A186 W213 Q399A186-A401 WeakPolarHBondContact CB-O 3.44Å; A186-A401 PolarHBondContact N-O 3.29Å; W213-A401 HydrophobicContact CB-CB 4.5Å; W213-A401 HydrophobicContact CD2-CB 3.65Å; W213-A401 HydrophobicContact CE3-CB 3.47Å; W213-A401 VanDerWaalsContact CE3-CB 3.47Å; W213-A401 HydrophobicContact CG-CB 4.12Å; W213-A401 HydrophobicContact CH2-CB 4.42Å; W213-A401 HydrophobicContact CZ3-CB 3.88Å; Q399-A401 PolarHBondContact O-N 2.87Å
402H98.4Very high98.1Very high50 Ų5045.6 Ų45.623%0.23124%0.244CC..EExtended strand (participates in β ladder)trans-126.1140.2171.3-65.166.6000110.8Q182 Y184 P185 I398 Q399 N400 L404Q182-H402 VanDerWaalsContact O-CB 3.27Å; Q182-H402 WeakPolarHBondContact O-CB 3.24Å; Y184-H402 CarbonylContact O-C 3.5Å; Y184-H402 WeakPolarHBondContact O-CA 3.16Å; Y184-H402 WeakPolarHBondContact O-CB 3.3Å; P185-H402 VanDerWaalsContact CA-CD2 3.48Å; P185-H402 WeakPolarHBondContact CA-CD2 3.47Å; I398-H402 WeakPolarHBondContact CA-O 3.46Å; Q399-H402 PolarHBondContact N-O 2.79Å; Q399-H402 WeakPolarHBondContact O-CB 3.25Å; Q399-H402 PolarHBondContact O-N 3.05Å; N400-H402 VanDerWaalsContact C-N 3.27Å; N400-H402 PolarHBondContact O-N 3.31Å; N400-H402 PolarHBondContact O-ND1 2.91Å; H402-L404 PolarHBondContact O-N 3.32Å
403Y98.8Very high98Very high1 Ų145.3 Ų45.30%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-69.6114.2166.9-80.5-92000109.9G183 Y184 A186 C359 Q363 C382 E383 Y384 V396 I398G183-Y403 CarbonylContact C-O 3.6Å; G183-Y403 WeakPolarHBondContact CA-O 3.44Å; Y184-Y403 PolarHBondContact N-O 2.81Å; Y184-Y403 PolarHBondContact O-N 2.95Å; A186-Y403 HydrophobicContact CB-CD2 3.77Å; A186-Y403 HydrophobicContact CB-CE2 3.76Å; C359-Y403 HydrophobicContact CB-CE1 4.3Å; C359-Y403 PolarHBondContact SG-OH 3.36Å; C359-Y403 VanDerWaalsContact SG-OH 3.39Å; Q363-Y403 HydrophobicContact CB-CD1 3.82Å; Q363-Y403 HydrophobicContact CB-CE1 4.24Å; Q363-Y403 HydrophobicContact CB-CG 4.36Å; C382-Y403 HydrophobicContact CB-CD2 3.93Å; C382-Y403 HydrophobicContact CB-CE2 3.77Å; E383-Y403 PolarHBondContact O-OH 3.08Å; Y384-Y403 WeakPolarHBondContact CA-OH 3.48Å; Y384-Y403 HydrophobicContact CD2-CE1 4.37Å; Y384-Y403 AromaticContact CD2-CZ 3.89Å; Y384-Y403 WeakPolarHBondContact CD2-OH 3.33Å; V396-Y403 HydrophobicContact CB-CD1 4.28Å; V396-Y403 HydrophobicContact CB-CE1 3.98Å; V396-Y403 HydrophobicContact CG1-CD1 4.25Å; V396-Y403 HydrophobicContact CG1-CE1 3.8Å; V396-Y403 HydrophobicContact CG2-CE1 4.5Å; I398-Y403 HydrophobicContact CD1-CD1 3.78Å; I398-Y403 HydrophobicContact CD1-CD2 3.81Å; I398-Y403 HydrophobicContact CD1-CE1 3.88Å; I398-Y403 HydrophobicContact CD1-CE2 3.89Å; I398-Y403 HydrophobicContact CD1-CG 3.73Å
404L98.6Very high98.1Very high46 Ų4645 Ų4524%0.24124%0.238CC..PPolyproline II helixtrans-70.5148.5168.4-60.2-169.1000110.2V397 Q399 H402 P406V397-L404 HydrophobicContact CB-CB 4.28Å; V397-L404 HydrophobicContact CB-CD1 4.42Å; V397-L404 HydrophobicContact CG1-CB 4.49Å; V397-L404 HydrophobicContact CG1-CD1 3.77Å; V397-L404 HydrophobicContact CG1-CG 4.27Å; V397-L404 WeakPolarHBondContact O-CB 3.47Å; V397-L404 PolarHBondContact O-N 3.4Å; Q399-L404 HydrophobicContact CB-CD1 4.02Å; Q399-L404 HydrophobicContact CB-CD2 3.95Å; Q399-L404 HydrophobicContact CB-CG 3.99Å; H402-L404 PolarHBondContact O-N 3.32Å; L404-P406 WeakPolarHBondContact O-CD 3.5Å
405T98.6Very high98.1Very high15 Ų1544.3 Ų44.39%0.09223%0.233CC..PPolyproline II helixtrans-65129.2-178.746.80000111.3W132 M179 L367W132-T405 HydrophobicContact CZ2-CG2 4.14Å; M179-T405 HydrophobicContact CB-CG2 3.97Å; M179-T405 WeakPolarHBondContact O-CG2 3.18Å; L367-T405 HydrophobicContact CD1-CG2 3.96Å; L367-T405 HydrophobicContact CD2-CG2 3.77Å
406P98.6Very high98.1Very high16 Ų1644.8 Ų44.810%0.10423%0.232CC..PPolyproline II helixtrans-56.9140.3171-28.836.9000111.5P130 W132 Q363 L404P130-P406 HydrophobicContact CB-CB 4.14Å; P130-P406 WeakPolarHBondContact CG-O 3.39Å; W132-P406 PolarHBondContact NE1-O 3.45Å; Q363-P406 VanDerWaalsContact CD-CG 3.41Å; Q363-P406 HydrophobicContact CG-CG 4.01Å; L404-P406 WeakPolarHBondContact O-CD 3.5Å
407K97.9Very high98.1Very high182 Ų18248.1 Ų48.179%0.79125%0.246SC*.  trans-109.6-30.7-177.4-62.8180-177.3174.50113.2
408D98.3Very high98.1Very high85 Ų8548.2 Ų48.246%0.45525%0.251SS..SBendtrans-77.6147.7-175.1-59.2-35.4000111.5P130 S394P130-D408 VanDerWaalsContact CA-O 3.31Å; P130-D408 WeakPolarHBondContact CA-O 3.32Å; P130-D408 WeakPolarHBondContact CB-O 3.22Å; S394-D408 WeakPolarHBondContact CB-OD2 3.33Å; S394-D408 WeakPolarHBondContact OG-CB 3.44Å; S394-D408 PolarHBondContact OG-OD2 3.03Å
409P98.7Very high98.2Very high59 Ų5946.8 Ų46.838%0.38325%0.245SC..SBendtrans-61.3141.8174.3-23.634.5000113.5R125 K129R125-P409 HydrophobicContact CG-CB 4.4Å; K129-P409 WeakPolarHBondContact O-CA 3.18Å
410G98.7Very high98.3Very high0 Ų041.7 Ų41.70%022%0.221CC..BIsolated β-bridgetrans111.2-166.8179.500000113.9D121 K129 P130 L131D121-G410 WeakPolarHBondContact OD1-CA 3.36Å; K129-G410 PolarHBondContact O-N 3.49Å; P130-G410 CarbonylContact C-O 3.56Å; P130-G410 WeakPolarHBondContact CA-O 3.42Å; L131-G410 PolarHBondContact N-O 2.89Å
411Y98.9Very high98.4Very high0 Ų042.3 Ų42.30%022%0.218CC..  trans-10818.8-176.2-163.8-176.2000112.4N117 W120 D121 L131 V332 L361 H364 L365 C413N117-Y411 HydrophobicContact CB-CD1 4.42Å; N117-Y411 HydrophobicContact CB-CE1 4.42Å; W120-Y411 HydrophobicContact CB-CD1 4.19Å; D121-Y411 PolarHBondContact OD1-N 3.42Å; L131-Y411 HydrophobicContact CB-CD2 3.95Å; L131-Y411 HydrophobicContact CB-CG 4.21Å; L131-Y411 HydrophobicContact CD2-CD1 3.67Å; L131-Y411 HydrophobicContact CD2-CD2 3.25Å; L131-Y411 HydrophobicContact CD2-CE1 3.64Å; L131-Y411 HydrophobicContact CD2-CE2 3.22Å; L131-Y411 HydrophobicContact CD2-CG 3.48Å; L131-Y411 VanDerWaalsContact CD2-CG 3.48Å; L131-Y411 VanDerWaalsContact CD2-CZ 3.42Å; L131-Y411 HydrophobicContact CG-CD2 4.2Å; L131-Y411 HydrophobicContact CG-CE2 4.46Å; L131-Y411 HydrophobicContact CG-CG 4.4Å; V332-Y411 HydrophobicContact CG2-CD1 4.36Å; V332-Y411 HydrophobicContact CG2-CE1 3.5Å; L361-Y411 HydrophobicContact CB-CD2 4.41Å; L361-Y411 HydrophobicContact CB-CE2 3.84Å; L361-Y411 HydrophobicContact CD2-CE1 4.3Å; L361-Y411 HydrophobicContact CG-CD1 4.4Å; L361-Y411 HydrophobicContact CG-CD2 4.16Å; L361-Y411 HydrophobicContact CG-CE1 4.25Å; L361-Y411 HydrophobicContact CG-CE2 3.99Å; L361-Y411 HydrophobicContact CG-CG 4.37Å; L361-Y411 WeakPolarHBondContact O-CE2 3.27Å; H364-Y411 HydrophobicContact CB-CD2 4.21Å; H364-Y411 HydrophobicContact CB-CE2 3.89Å; H364-Y411 AromaticContact CD2-CD2 3.59Å; H364-Y411 AromaticContact CD2-CE2 3.91Å; H364-Y411 AromaticContact CG-CD2 3.97Å; L365-Y411 WeakPolarHBondContact CG-OH 3.45Å; Y411-C413 PolarHBondContact O-N 3.21Å
412S98.8Very high98.5Very high6 Ų649 Ų494%0.04224%0.243CC..SBendtrans55.319-175.4-64.90000114.9H364 F392 S394 E414H364-S412 PolarHBondContact NE2-OG 3.12Å; F392-S412 WeakPolarHBondContact CD1-O 3.4Å; S394-S412 PolarHBondContact O-OG 3.09Å; S412-E414 VanDerWaalsContact C-N 3.34Å
413C97.3Very high98.5Very high0 Ų047.3 Ų47.30%024%0.235CC..  trans-77-17.8178.9-62.70000113.9Y37 F49 L361 Y411 M415Y37-C413 WeakPolarHBondContact CE2-O 3.4Å; F49-C413 HydrophobicContact CB-CB 3.91Å; F49-C413 WeakPolarHBondContact O-CB 3.39Å; F49-C413 PolarHBondContact O-SG 3.36Å; L361-C413 HydrophobicContact CD1-CB 4.42Å; Y411-C413 PolarHBondContact O-N 3.21Å; C413-M415 PolarHBondContact O-N 3.31Å
414E98.8Very high98.5Very high49 Ų4950.3 Ų50.323%0.22925%0.249CC..PPolyproline II helixtrans-71118.5-170.6-177.6177.8-168.200110.9F49 R125 F392 T393 S412F49-E414 HydrophobicContact CB-CB 4.24Å; F49-E414 HydrophobicContact CD1-CB 4.42Å; F49-E414 HydrophobicContact CD1-CG 4.2Å; F49-E414 HydrophobicContact CD2-CB 3.72Å; F49-E414 HydrophobicContact CD2-CG 3.9Å; F49-E414 HydrophobicContact CE1-CG 4.06Å; F49-E414 HydrophobicContact CE2-CB 4.09Å; F49-E414 VanDerWaalsContact CE2-CD 3.44Å; F49-E414 HydrophobicContact CE2-CG 3.78Å; F49-E414 HydrophobicContact CG-CB 3.87Å; F49-E414 HydrophobicContact CG-CG 4.09Å; F49-E414 HydrophobicContact CZ-CG 3.83Å; F49-E414 WeakPolarHBondContact CZ-OE1 3.46Å; R125-E414 IonicContact CZ-OE2 2.76Å; R125-E414 IonicContact NH1-OE2 3.89Å; R125-E414 PolarHBondContact NH1-OE2 2.84Å; R125-E414 IonicContact NH2-OE2 3.65Å; R125-E414 PolarHBondContact NH2-OE2 3.48Å; F392-E414 WeakPolarHBondContact CA-O 3.25Å; T393-E414 HydrophobicContact CG2-CB 4.37Å; T393-E414 HydrophobicContact CG2-CG 3.74Å; T393-E414 PolarHBondContact N-O 2.79Å; T393-E414 WeakPolarHBondContact OG1-CB 3.4Å; T393-E414 PolarHBondContact OG1-O 3.05Å; S412-E414 VanDerWaalsContact C-N 3.34Å
415M98.8Very high98.5Very high4 Ų451.9 Ų51.92%0.0225%0.252CS..BIsolated β-bridgetrans-91.8148.8175.8-61.9179.777.800109.5V13 F15 Y37 V356 H391 F392 C413 E417 V420V13-M415 HydrophobicContact CG1-CE 4.18Å; F15-M415 HydrophobicContact CE2-CE 3.92Å; F15-M415 HydrophobicContact CZ-CE 3.57Å; Y37-M415 HydrophobicContact CD1-SD 4.43Å; Y37-M415 HydrophobicContact CD2-CG 4.24Å; Y37-M415 HydrophobicContact CD2-SD 3.84Å; Y37-M415 HydrophobicContact CE1-CB 4.28Å; Y37-M415 HydrophobicContact CE2-CB 4.27Å; Y37-M415 HydrophobicContact CE2-CG 3.91Å; Y37-M415 HydrophobicContact CE2-SD 4.13Å; Y37-M415 HydrophobicContact CG-SD 4.01Å; Y37-M415 PolarHBondContact OH-N 3.48Å; Y37-M415 VanDerWaalsContact OH-N 3.1Å; V356-M415 HydrophobicContact CG1-CE 4.3Å; H391-M415 HydrophobicContact CB-CE 4.27Å; H391-M415 CarbonylContact O-C 3.42Å; H391-M415 WeakPolarHBondContact O-CA 3.27Å; F392-M415 HydrophobicContact CD1-CG 4.03Å; F392-M415 HydrophobicContact CE1-CG 3.69Å; F392-M415 HydrophobicContact CZ-CG 4.11Å; C413-M415 PolarHBondContact O-N 3.31Å; M415-E417 PolarHBondContact O-N 3.1Å; M415-V420 HydrophobicContact CB-CG2 3.6Å; M415-V420 HydrophobicContact SD-CG2 4.22Å
416L98.8Very high98.4Very high65 Ų6553.7 Ų53.734%0.3426%0.264SS..PPolyproline II helixtrans-59.3123.1169.9-62.3174.8000109.2E390 H391 T393 S418 S419 V420E390-L416 VanDerWaalsContact O-CD1 3.24Å; E390-L416 WeakPolarHBondContact O-CD1 3.24Å; H391-L416 PolarHBondContact O-N 3.02Å; T393-L416 HydrophobicContact CG2-CD2 3.85Å; L416-S418 PolarHBondContact O-N 2.99Å; L416-S418 VanDerWaalsContact O-N 3.12Å; L416-S419 WeakPolarHBondContact O-CA 3.36Å; L416-S419 VanDerWaalsContact O-CB 3.29Å; L416-S419 WeakPolarHBondContact O-CB 3.43Å; L416-S419 PolarHBondContact O-N 2.96Å; L416-V420 PolarHBondContact O-N 3.16Å
417E98.4Very high98.3Very high84 Ų8458.6 Ų58.639%0.39329%0.286SS..Hα-helixtrans-58.1-31-178.1-17860.4-160.700112.6R11 M415 V420 K421R11-E417 IonicContact CZ-OE1 2.87Å; R11-E417 IonicContact CZ-OE2 3.35Å; R11-E417 IonicContact NH1-OE1 2.73Å; R11-E417 PolarHBondContact NH1-OE1 3.11Å; R11-E417 IonicContact NH1-OE2 3.62Å; R11-E417 PolarHBondContact NH1-OE2 3.22Å; R11-E417 IonicContact NH2-OE2 3.94Å; R11-E417 PolarHBondContact NH2-OE2 2.98Å; M415-E417 PolarHBondContact O-N 3.1Å; E417-V420 PolarHBondContact O-N 3.43Å; E417-K421 WeakPolarHBondContact O-CG 3.49Å; E417-K421 PolarHBondContact O-N 3.08Å; E417-K421 WeakPolarHBondContact OE1-CE 3.25Å
418S98.4Very high98.3Very high86 Ų8650.2 Ų50.260%0.60125%0.251SS*.Hα-helixtrans-64.6-41.517252.10000112.4L416 R422L416-S418 PolarHBondContact O-N 2.99Å; L416-S418 VanDerWaalsContact O-N 3.12Å; S418-R422 WeakPolarHBondContact O-CB 3.3Å; S418-R422 PolarHBondContact O-N 2.83Å; S418-R422 VanDerWaalsContact O-N 3.1Å
419S98.4Very high98.2Very high12 Ų1251.2 Ų51.28%0.08426%0.256CS..Hα-helixtrans-64.3-45.3175-63.90000110.7H391 L416 R422 H423H391-S419 WeakPolarHBondContact ND1-CB 3.15Å; H391-S419 PolarHBondContact ND1-OG 3.18Å; L416-S419 WeakPolarHBondContact O-CA 3.36Å; L416-S419 VanDerWaalsContact O-CB 3.29Å; L416-S419 WeakPolarHBondContact O-CB 3.43Å; L416-S419 PolarHBondContact O-N 2.96Å; S419-R422 PolarHBondContact O-N 2.96Å; S419-H423 WeakPolarHBondContact O-CB 3.39Å; S419-H423 PolarHBondContact O-N 2.97Å; S419-H423 VanDerWaalsContact O-N 3.09Å; S419-H423 PolarHBondContact O-ND1 3.31Å
420V98.7Very high98.1Very high0 Ų049.2 Ų49.20%024%0.243CC..Hα-helixtrans-58.6-54.6178.71760000111R11 V13 Y37 M415 L416 E417 R422 H423 E424R11-V420 HydrophobicContact CB-CG1 4.48Å; R11-V420 VanDerWaalsContact CZ-CG1 3.42Å; V13-V420 HydrophobicContact CG2-CG1 3.83Å; Y37-V420 HydrophobicContact CD1-CG1 4.14Å; Y37-V420 HydrophobicContact CD1-CG2 3.81Å; Y37-V420 HydrophobicContact CE1-CG2 3.72Å; M415-V420 HydrophobicContact CB-CG2 3.6Å; M415-V420 HydrophobicContact SD-CG2 4.22Å; L416-V420 PolarHBondContact O-N 3.16Å; E417-V420 PolarHBondContact O-N 3.43Å; V420-R422 VanDerWaalsContact C-N 3.3Å; V420-R422 PolarHBondContact O-N 3.25Å; V420-H423 CarbonylContact O-C 3.56Å; V420-H423 PolarHBondContact O-N 3.21Å; V420-E424 WeakPolarHBondContact O-CB 3.5Å; V420-E424 PolarHBondContact O-N 3.3Å
421K98.4Very high98Very high126 Ų12650.1 Ų50.155%0.54825%0.246SC..Hα-helixtrans-59.6-39.8-179.9-71.7179.1-178.2178.60113.1E417 H423 G428E417-K421 WeakPolarHBondContact O-CG 3.49Å; E417-K421 PolarHBondContact O-N 3.08Å; E417-K421 WeakPolarHBondContact OE1-CE 3.25Å; K421-H423 VanDerWaalsContact C-N 3.3Å; K421-H423 PolarHBondContact O-N 3.43Å; K421-G428 VanDerWaalsContact O-CA 3.29Å; K421-G428 WeakPolarHBondContact O-CA 3.45Å
422R98.3Very high97.8Very high142 Ų14254.4 Ų54.454%0.53627%0.265SS..Hα-helixtrans-66.6-32.7-178.8178.2171.2178.8-178.8-0.9112.6S418 S419 V420 G428 D429 V430S418-R422 WeakPolarHBondContact O-CB 3.3Å; S418-R422 PolarHBondContact O-N 2.83Å; S418-R422 VanDerWaalsContact O-N 3.1Å; S419-R422 PolarHBondContact O-N 2.96Å; V420-R422 VanDerWaalsContact C-N 3.3Å; V420-R422 PolarHBondContact O-N 3.25Å; R422-G428 CarbonylContact O-C 3.45Å; R422-D429 HydrophobicContact CG-CB 4.46Å; R422-D429 PolarHBondContact O-N 2.68Å; R422-V430 HydrophobicContact CG-CG2 3.75Å; R422-V430 PolarHBondContact O-N 2.84Å; R422-V430 VanDerWaalsContact O-N 3.12Å
423H98.6Very high97.4Very high16 Ų1659.8 Ų59.87%0.07429%0.292CS..Hα-helixtrans-109.15.1-174.5-61.292.9000113.5V13 R14 F15 H391 S419 V420 K421 Y425 W431V13-H423 HydrophobicContact CG1-CB 3.87Å; R14-H423 PolarHBondContact N-O 3.2Å; R14-H423 WeakPolarHBondContact O-CB 3.22Å; F15-H423 HydrophobicContact CD1-CB 4.31Å; F15-H423 AromaticContact CD1-CD2 3.52Å; F15-H423 AromaticContact CD1-CG 3.77Å; F15-H423 AromaticContact CD1-NE2 3.86Å; F15-H423 HydrophobicContact CE1-CB 4.03Å; F15-H423 AromaticContact CE1-CD2 3.79Å; F15-H423 AromaticContact CE1-CE1 3.92Å; F15-H423 AromaticContact CE1-CG 3.57Å; F15-H423 AromaticContact CE1-ND1 3.67Å; F15-H423 HydrophobicContact CZ-CB 4.43Å; H391-H423 AromaticContact CE1-CE1 3.73Å; S419-H423 WeakPolarHBondContact O-CB 3.39Å; S419-H423 PolarHBondContact O-N 2.97Å; S419-H423 VanDerWaalsContact O-N 3.09Å; S419-H423 PolarHBondContact O-ND1 3.31Å; V420-H423 CarbonylContact O-C 3.56Å; V420-H423 PolarHBondContact O-N 3.21Å; K421-H423 VanDerWaalsContact C-N 3.3Å; K421-H423 PolarHBondContact O-N 3.43Å; H423-Y425 PolarHBondContact O-N 2.95Å; H423-W431 PolarHBondContact O-NE1 3.48Å
424E98.5Very high97Very high64 Ų6462.7 Ų62.730%0.29931%0.306SS..BIsolated β-bridgetrans-63.6130.4176.4-172164.1-166.600110.1D12 V420 E427 G428D12-E424 CarbonylContact O-C 3.51Å; D12-E424 VanDerWaalsContact O-CA 3.26Å; D12-E424 WeakPolarHBondContact O-CA 3.06Å; V420-E424 WeakPolarHBondContact O-CB 3.5Å; V420-E424 PolarHBondContact O-N 3.3Å; E424-E427 PolarHBondContact O-N 2.98Å; E424-G428 VanDerWaalsContact O-CA 3.25Å; E424-G428 WeakPolarHBondContact O-CA 3.44Å; E424-G428 PolarHBondContact O-N 3.19Å
425Y98.4Very high96.3Very high79 Ų7964.6 Ų64.631%0.3132%0.317SS..THydrogen-bonded Turntrans-98.2137.5-177.9-175.8-92.1000111.2D12 R14 H423 W431 L435D12-Y425 PolarHBondContact O-N 3.05Å; R14-Y425 HydrophobicContact CG-CG 4.37Å; R14-Y425 VanDerWaalsContact CZ-CD1 3.49Å; H423-Y425 PolarHBondContact O-N 2.95Å; Y425-W431 HydrophobicContact CD2-CB 4.19Å; Y425-W431 AromaticContact CD2-CD2 3.65Å; Y425-W431 HydrophobicContact CD2-CD2 3.65Å; Y425-W431 HydrophobicContact CD2-CE3 4.01Å; Y425-W431 AromaticContact CD2-CG 3.69Å; Y425-W431 HydrophobicContact CD2-CG 3.69Å; Y425-W431 HydrophobicContact CE2-CD2 4.19Å; Y425-W431 HydrophobicContact CE2-CE3 4.08Å; Y425-W431 HydrophobicContact CE2-CG 4.44Å; Y425-L435 HydrophobicContact CE2-CD1 4.15Å
426P97.3Very high95.2Very high53 Ų5371.1 Ų71.134%0.34435%0.352SS..THydrogen-bonded Turncis-91.51.3-3.836.7-35.4000113.9L435P426-L435 HydrophobicContact CB-CD1 3.93Å
427E96.6Very high93.4Very high119 Ų11977.9 Ų77.956%0.55638%0.379SS*.THydrogen-bonded Turntrans-92.2-12.7-162-68.8-59141.200115.8E424 K432E424-E427 PolarHBondContact O-N 2.98Å; E427-K432 VanDerWaalsContact O-CD 3.28Å; E427-K432 WeakPolarHBondContact O-CD 3.4Å; E427-K432 WeakPolarHBondContact O-CE 3.44Å; E427-K432 PolarHBondContact O-NZ 2.82Å; E427-K432 WeakPolarHBondContact OE2-CE 3.36Å; E427-K432 IonicContact OE2-NZ 2.81Å; E427-K432 PolarHBondContact OE2-NZ 3.18Å
428G97.4Very high93.1Very high5 Ų577.6 Ų77.65%0.05238%0.378CS..SBendtrans-66.9152.7178.800000112.3K421 R422 E424 V430 W431 K432K421-G428 VanDerWaalsContact O-CA 3.29Å; K421-G428 WeakPolarHBondContact O-CA 3.45Å; R422-G428 CarbonylContact O-C 3.45Å; E424-G428 VanDerWaalsContact O-CA 3.25Å; E424-G428 WeakPolarHBondContact O-CA 3.44Å; E424-G428 PolarHBondContact O-N 3.19Å; G428-V430 PolarHBondContact O-N 3.23Å; G428-V430 VanDerWaalsContact O-N 3.12Å; G428-W431 PolarHBondContact O-N 2.81Å; G428-K432 PolarHBondContact O-N 2.89Å
429D96.9Very high92.8Very high107 Ų10777.2 Ų77.257%0.57237%0.367SS*.Hα-helixtrans-53.5-38.4-173.5-62.9-25.4000112.9R422 L433R422-D429 HydrophobicContact CG-CB 4.46Å; R422-D429 PolarHBondContact O-N 2.68Å; D429-L433 VanDerWaalsContact O-CG 3.29Å; D429-L433 WeakPolarHBondContact O-CG 3.18Å; D429-L433 PolarHBondContact O-N 2.8Å; D429-L433 VanDerWaalsContact O-N 3.15Å
430V96.3Very high92.5Very high16 Ų1680.8 Ų80.810%0.09738%0.382CS..Hα-helixtrans-63.4-46.6178.41700000110.8P16 R422 G428 L433 Q434P16-V430 HydrophobicContact CG-CG1 3.82Å; R422-V430 HydrophobicContact CG-CG2 3.75Å; R422-V430 PolarHBondContact O-N 2.84Å; R422-V430 VanDerWaalsContact O-N 3.12Å; G428-V430 PolarHBondContact O-N 3.23Å; G428-V430 VanDerWaalsContact O-N 3.12Å; V430-L433 PolarHBondContact O-N 2.91Å; V430-Q434 WeakPolarHBondContact O-CG 3.46Å; V430-Q434 PolarHBondContact O-N 2.96Å; V430-Q434 VanDerWaalsContact O-N 3.09Å
431W96.2Very high92.1Very high19 Ų1985.5 Ų85.57%0.07241%0.405CS..Hα-helixtrans-75.9-33.9-176.8-67.2110.4000112.9R14 P16 D32 H423 Y425 G428 L433 Q434 L435R14-W431 HydrophobicContact CB-CH2 4.38Å; R14-W431 HydrophobicContact CB-CZ2 3.35Å; R14-W431 WeakPolarHBondContact O-CZ2 3.44Å; R14-W431 PolarHBondContact O-NE1 3.41Å; P16-W431 HydrophobicContact CB-CH2 4.1Å; P16-W431 HydrophobicContact CB-CZ2 4.39Å; D32-W431 HydrophobicContact CB-CH2 4.49Å; H423-W431 PolarHBondContact O-NE1 3.48Å; Y425-W431 HydrophobicContact CD2-CB 4.19Å; Y425-W431 AromaticContact CD2-CD2 3.65Å; Y425-W431 HydrophobicContact CD2-CD2 3.65Å; Y425-W431 HydrophobicContact CD2-CE3 4.01Å; Y425-W431 AromaticContact CD2-CG 3.69Å; Y425-W431 HydrophobicContact CD2-CG 3.69Å; Y425-W431 HydrophobicContact CE2-CD2 4.19Å; Y425-W431 HydrophobicContact CE2-CE3 4.08Å; Y425-W431 HydrophobicContact CE2-CG 4.44Å; G428-W431 PolarHBondContact O-N 2.81Å; W431-L433 VanDerWaalsContact C-N 3.26Å; W431-L433 PolarHBondContact O-N 2.87Å; W431-Q434 HydrophobicContact CE3-CB 4.38Å; W431-Q434 PolarHBondContact O-N 3.03Å; W431-L435 HydrophobicContact CB-CD1 4.44Å; W431-L435 VanDerWaalsContact O-CB 3.29Å; W431-L435 WeakPolarHBondContact O-CB 3.37Å; W431-L435 VanDerWaalsContact O-CG 3.28Å; W431-L435 WeakPolarHBondContact O-CG 3.49Å; W431-L435 PolarHBondContact O-N 2.71Å
432K94.8Very high91.8Very high91 Ų9183 Ų8340%0.39640%0.396SS..Hα-helixtrans-58.4-39.1168.9-79.1178.9166.8139.80112.2E427 G428 N436E427-K432 VanDerWaalsContact O-CD 3.28Å; E427-K432 WeakPolarHBondContact O-CD 3.4Å; E427-K432 WeakPolarHBondContact O-CE 3.44Å; E427-K432 PolarHBondContact O-NZ 2.82Å; E427-K432 WeakPolarHBondContact OE2-CE 3.36Å; E427-K432 IonicContact OE2-NZ 2.81Å; E427-K432 PolarHBondContact OE2-NZ 3.18Å; G428-K432 PolarHBondContact O-N 2.89Å; K432-N436 VanDerWaalsContact O-CB 3.3Å; K432-N436 WeakPolarHBondContact O-CB 3.29Å; K432-N436 VanDerWaalsContact O-CG 3.26Å; K432-N436 PolarHBondContact O-N 3.41Å; K432-N436 PolarHBondContact O-ND2 3.36Å
433L90.4Very high91.3Very high118 Ų11879.1 Ų79.162%0.61839%0.387SS*.Hα-helixtrans-72.3-34177.1-72.1169.5000112.9D429 V430 W431 K437D429-L433 VanDerWaalsContact O-CG 3.29Å; D429-L433 WeakPolarHBondContact O-CG 3.18Å; D429-L433 PolarHBondContact O-N 2.8Å; D429-L433 VanDerWaalsContact O-N 3.15Å; V430-L433 PolarHBondContact O-N 2.91Å; W431-L433 VanDerWaalsContact C-N 3.26Å; W431-L433 PolarHBondContact O-N 2.87Å; L433-K437 WeakPolarHBondContact O-CG 3.41Å
434Q87.6Confident90.8Very high61 Ų6183.6 Ų83.629%0.28541%0.409SS..Hα-helixtrans-81.9-37-179.1-63.7-60.9-10.600113.2V430 W431V430-Q434 WeakPolarHBondContact O-CG 3.46Å; V430-Q434 PolarHBondContact O-N 2.96Å; V430-Q434 VanDerWaalsContact O-N 3.09Å; W431-Q434 HydrophobicContact CE3-CB 4.38Å; W431-Q434 PolarHBondContact O-N 3.03Å
435L84.2Confident90.2Very high90 Ų9085.1 Ų85.147%0.47142%0.417SS..Hα-helixtrans-78.2-18.2-179-66.1172.9000113.6Y425 P426 W431Y425-L435 HydrophobicContact CE2-CD1 4.15Å; P426-L435 HydrophobicContact CB-CD1 3.93Å; W431-L435 HydrophobicContact CB-CD1 4.44Å; W431-L435 VanDerWaalsContact O-CB 3.29Å; W431-L435 WeakPolarHBondContact O-CB 3.37Å; W431-L435 VanDerWaalsContact O-CG 3.28Å; W431-L435 WeakPolarHBondContact O-CG 3.49Å; W431-L435 PolarHBondContact O-N 2.71Å
436N75.9Confident89.5Confident140 Ų14085.6 Ų85.675%0.74943%0.426SS*.THydrogen-bonded Turntrans-93.50176.2-71.4-40.5000113.6K432K432-N436 VanDerWaalsContact O-CB 3.3Å; K432-N436 WeakPolarHBondContact O-CB 3.29Å; K432-N436 VanDerWaalsContact O-CG 3.26Å; K432-N436 PolarHBondContact O-N 3.41Å; K432-N436 PolarHBondContact O-ND2 3.36Å
437K60.6Low88.8Confident208 Ų20888.5 Ų88.590%0.90443%0.434SS*.  trans-90.60167.2-73.7174.6-176.8175.70109.3L433L433-K437 WeakPolarHBondContact O-CG 3.41Å

Retrieved 437 of 437 residues in 264.7 ms (Link to these results)

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