A0A077ZBH5_TRITR Loading...

Casein kinase II subunit alpha

AlphaFold DB , UniProt , Accession A0A077ZBH5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 384 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
1M74.9Confident93.5Very high204 Ų20472.5 Ų72.5100%1.00536%0.362SS*.  0133.30-109.8177.6-150.800106.8N260M1-N260 PolarHBondContact O-ND2 2.63Å
2A82.6Confident93.9Very high34 Ų3470.7 Ų70.728%0.28135%0.354SS..PPolyproline II helixtrans-61.1147.1173.700000109.7F204 Y259A2-F204 HydrophobicContact CB-CD2 4.1Å; A2-F204 HydrophobicContact CB-CE2 3.95Å; A2-Y259 CarbonylContact C-O 3.45Å; A2-Y259 VanDerWaalsContact CA-O 3.28Å; A2-Y259 WeakPolarHBondContact CA-O 3.47Å
3L90.9Very high94.2Very high100 Ų10067.2 Ų67.252%0.52434%0.339SS..PPolyproline II helixtrans-70132175.7-69-179.7000109.7S5 F204 K258 Y259L3-S5 PolarHBondContact O-N 3.29Å; L3-F204 WeakPolarHBondContact O-CE2 3.22Å; L3-F204 WeakPolarHBondContact O-CZ 3.37Å; L3-K258 VanDerWaalsContact CD1-O 3.24Å; L3-K258 WeakPolarHBondContact CD1-O 3.3Å; L3-Y259 PolarHBondContact N-O 2.94Å
4V93Very high94.5Very high92 Ų9262.4 Ų62.456%0.55832%0.315SS*.PPolyproline II helixtrans-64.9129.7174.8-178.80000108.8Y206V4-Y206 HydrophobicContact CG1-CD1 4.1Å; V4-Y206 HydrophobicContact CG1-CE1 4.44Å; V4-Y206 HydrophobicContact CG1-CG 4.37Å; V4-Y206 HydrophobicContact CG2-CD1 4.43Å; V4-Y206 HydrophobicContact CG2-CD2 4.49Å; V4-Y206 HydrophobicContact CG2-CE1 4.09Å; V4-Y206 HydrophobicContact CG2-CE2 4.15Å
5S96.4Very high94.7Very high9 Ų965.5 Ų65.56%0.06333%0.332CS..  trans-108.4153.4175.7-169.90000110.9L3 Y206 H307 Q308L3-S5 PolarHBondContact O-N 3.29Å; S5-Y206 WeakPolarHBondContact CB-O 3.44Å; S5-H307 WeakPolarHBondContact CB-NE2 3.45Å; S5-H307 PolarHBondContact OG-NE2 2.77Å; S5-Q308 PolarHBondContact OG-NE2 3.46Å; S5-Q308 VanDerWaalsContact OG-NE2 3.1Å
6R97.9Very high94.9Very high128 Ų12871.3 Ų71.348%0.48336%0.357SS..  trans-132.2140.8-178.7-171.3179.6-172.8-153.910.4109.3A11 D12 Y180 P182 Q308R6-A11 HydrophobicContact CG-CB 3.97Å; R6-D12 IonicContact CZ-OD1 3.77Å; R6-D12 IonicContact CZ-OD2 2.89Å; R6-D12 IonicContact NE-OD1 2.69Å; R6-D12 IonicContact NH2-OD1 3.65Å; R6-D12 PolarHBondContact NH2-OD1 3.29Å; R6-D12 IonicContact NH2-OD2 3.34Å; R6-D12 PolarHBondContact NH2-OD2 3.04Å; R6-Y180 WeakPolarHBondContact CA-OH 3.36Å; R6-P182 HydrophobicContact CG-CB 4Å; R6-Q308 PolarHBondContact O-NE2 3.24Å; R6-Q308 PolarHBondContact O-OE1 2.98Å
7S98.6Very high95.1Very high10 Ų1070.6 Ų70.67%0.0735%0.351CS..  trans-57.6140.4176.5-178.70000111.8V9 A11 Y180 D208 Y209S7-V9 VanDerWaalsContact C-N 3.27Å; S7-V9 WeakPolarHBondContact CB-O 2.92Å; S7-V9 PolarHBondContact O-N 2.94Å; S7-V9 PolarHBondContact OG-N 3.41Å; S7-V9 PolarHBondContact OG-O 3.34Å; S7-A11 WeakPolarHBondContact O-CB 3.32Å; S7-Y180 PolarHBondContact N-OH 3.32Å; S7-D208 WeakPolarHBondContact CA-OD2 3.23Å; S7-Y209 WeakPolarHBondContact OG-CD2 3.49Å; S7-Y209 WeakPolarHBondContact OG-CE2 3.37Å
8R98.6Very high95.2Very high100 Ų10074.4 Ų74.438%0.37737%0.374SS..SBendtrans-66.8-29172.9-61.9-166.1-67.4107.6-5.3113.1Q308 R310 E315R8-Q308 WeakPolarHBondContact CD-O 3.03Å; R8-Q308 PolarHBondContact NE-O 2.82Å; R8-R310 PolarHBondContact NH2-O 3.33Å; R8-E315 IonicContact CZ-OE1 3.21Å; R8-E315 IonicContact CZ-OE2 3.64Å; R8-E315 IonicContact NH1-OE1 2.68Å; R8-E315 PolarHBondContact NH1-OE1 3.32Å; R8-E315 IonicContact NH1-OE2 2.6Å; R8-E315 PolarHBondContact NH1-OE2 3.2Å; R8-E315 IonicContact NH2-OE1 3.99Å; R8-E315 IonicContact NH2-OE2 2.66Å; R8-E315 PolarHBondContact NH2-OE2 2.88Å
9V98.7Very high95.4Very high42 Ų4279.3 Ų79.326%0.25539%0.387SS..SBendtrans-130.7153.7-177.1-660000110.8S7 A11 Y209 T312S7-V9 VanDerWaalsContact C-N 3.27Å; S7-V9 WeakPolarHBondContact CB-O 2.92Å; S7-V9 PolarHBondContact O-N 2.94Å; S7-V9 PolarHBondContact OG-N 3.41Å; S7-V9 PolarHBondContact OG-O 3.34Å; V9-A11 PolarHBondContact O-N 3.09Å; V9-Y209 VanDerWaalsContact O-CE2 3.24Å; V9-Y209 WeakPolarHBondContact O-CE2 3.23Å; V9-T312 HydrophobicContact CB-CG2 4.29Å; V9-T312 HydrophobicContact CG1-CG2 3.75Å; V9-T312 HydrophobicContact CG2-CG2 3.53Å
10Y98.6Very high95.5Very high65 Ų6582.6 Ų82.626%0.25540%0.401SS..SBendtrans53.226.6175.9-47.5-57.4000114.5D12 V13 D143 H146 Y209Y10-D12 VanDerWaalsContact C-N 3.31Å; Y10-D12 PolarHBondContact O-N 3.3Å; Y10-V13 HydrophobicContact CD1-CG2 4.14Å; Y10-V13 HydrophobicContact CG-CG2 4.43Å; Y10-D143 PolarHBondContact OH-OD1 2.9Å; Y10-H146 WeakPolarHBondContact CB-O 3.27Å; Y10-H146 HydrophobicContact CD2-CB 3.94Å; Y10-H146 HydrophobicContact CE2-CB 4.23Å; Y10-Y209 PolarHBondContact O-OH 2.75Å
11A98.4Very high95.6Very high14 Ų1480.2 Ų80.212%0.11639%0.389CS..THydrogen-bonded Turntrans-66.7-32.4-170.500000113.3R6 S7 V9 Y180 P182R6-A11 HydrophobicContact CG-CB 3.97Å; S7-A11 WeakPolarHBondContact O-CB 3.32Å; V9-A11 PolarHBondContact O-N 3.09Å; A11-Y180 HydrophobicContact CB-CE1 4.35Å; A11-Y180 WeakPolarHBondContact O-CE1 3.48Å; A11-P182 WeakPolarHBondContact O-CD 3.31Å
12D98.4Very high96.7Very high50 Ų5073.9 Ų73.927%0.26735%0.353SS..THydrogen-bonded Turntrans-110.36.3-173.4-60.8-40000113.6R6 Y10 N14 L15 Q16R6-D12 IonicContact CZ-OD1 3.77Å; R6-D12 IonicContact CZ-OD2 2.89Å; R6-D12 IonicContact NE-OD1 2.69Å; R6-D12 IonicContact NH2-OD1 3.65Å; R6-D12 PolarHBondContact NH2-OD1 3.29Å; R6-D12 IonicContact NH2-OD2 3.34Å; R6-D12 PolarHBondContact NH2-OD2 3.04Å; Y10-D12 VanDerWaalsContact C-N 3.31Å; Y10-D12 PolarHBondContact O-N 3.3Å; D12-N14 VanDerWaalsContact C-N 3.29Å; D12-N14 PolarHBondContact O-N 3.09Å; D12-L15 HydrophobicContact CB-CD1 4.43Å; D12-L15 WeakPolarHBondContact O-CA 3.45Å; D12-L15 WeakPolarHBondContact O-CB 3.35Å; D12-L15 PolarHBondContact O-N 3.11Å; D12-Q16 WeakPolarHBondContact O-CG 3.47Å; D12-Q16 PolarHBondContact O-N 3.33Å; D12-Q16 VanDerWaalsContact O-N 3.09Å
13V98.2Very high97.5Very high25 Ų2573.1 Ų73.115%0.15235%0.345CS..Hα-helixtrans-56.3-45.2-172.2170.20000111.2Y10 L15 Q16 K17Y10-V13 HydrophobicContact CD1-CG2 4.14Å; Y10-V13 HydrophobicContact CG-CG2 4.43Å; V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 PolarHBondContact O-N 3.26Å; V13-Q16 PolarHBondContact O-N 2.93Å; V13-K17 HydrophobicContact CG1-CD 4.32Å; V13-K17 WeakPolarHBondContact O-CG 3.34Å; V13-K17 PolarHBondContact O-N 2.97Å
14N98.6Very high97.8Very high1 Ų169.5 Ų69.51%0.00532%0.324CS..Hα-helixtrans-72.4-24.2178.4-69-34.9000113.4D12 Q16 K17 Y21 W22 G149 Y180 H181D12-N14 VanDerWaalsContact C-N 3.29Å; D12-N14 PolarHBondContact O-N 3.09Å; N14-Q16 VanDerWaalsContact C-N 3.26Å; N14-Q16 PolarHBondContact O-N 2.95Å; N14-K17 PolarHBondContact O-N 3.01Å; N14-Y21 WeakPolarHBondContact OD1-CE1 3.41Å; N14-W22 HydrophobicContact CB-CB 4.48Å; N14-W22 HydrophobicContact CB-CG 4.31Å; N14-W22 PolarHBondContact O-NE1 3.2Å; N14-G149 PolarHBondContact ND2-O 3.45Å; N14-Y180 PolarHBondContact ND2-N 3.27Å; N14-Y180 PolarHBondContact ND2-O 3.02Å; N14-H181 VanDerWaalsContact CB-CE1 3.48Å; N14-H181 WeakPolarHBondContact CB-CE1 3.38Å
15L97.7Very high98.1Very high109 Ų10970 Ų7057%0.57132%0.32SS*.Hα-helixtrans-71.7-24.5173.6-61-178.6000112.2D12 V13 P182D12-L15 HydrophobicContact CB-CD1 4.43Å; D12-L15 WeakPolarHBondContact O-CA 3.45Å; D12-L15 WeakPolarHBondContact O-CB 3.35Å; D12-L15 PolarHBondContact O-N 3.11Å; V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 PolarHBondContact O-N 3.26Å; L15-P182 HydrophobicContact CD1-CG 3.74Å; L15-P182 HydrophobicContact CG-CG 4.45Å
16Q97.8Very high98.1Very high157 Ų15773.1 Ų73.173%0.73434%0.342SS*.Hα-helixtrans-89.9-12.3178.2-64.6171.46.900113D12 V13 N14D12-Q16 WeakPolarHBondContact O-CG 3.47Å; D12-Q16 PolarHBondContact O-N 3.33Å; D12-Q16 VanDerWaalsContact O-N 3.09Å; V13-Q16 PolarHBondContact O-N 2.93Å; N14-Q16 VanDerWaalsContact C-N 3.26Å; N14-Q16 PolarHBondContact O-N 2.95Å
17K97.7Very high98.1Very high60 Ų6068 Ų6826%0.26132%0.324SS..SBendtrans-92.7153.3177.3-70.4-174.8-179-1500110.8V13 N14 Y21V13-K17 HydrophobicContact CG1-CD 4.32Å; V13-K17 WeakPolarHBondContact O-CG 3.34Å; V13-K17 PolarHBondContact O-N 2.97Å; N14-K17 PolarHBondContact O-N 3.01Å; K17-Y21 HydrophobicContact CB-CD1 4.1Å; K17-Y21 HydrophobicContact CB-CG 4.04Å; K17-Y21 HydrophobicContact CD-CD1 3.29Å; K17-Y21 HydrophobicContact CD-CD2 3.82Å; K17-Y21 HydrophobicContact CD-CE1 3.32Å; K17-Y21 HydrophobicContact CD-CE2 3.85Å; K17-Y21 HydrophobicContact CD-CG 3.55Å; K17-Y21 HydrophobicContact CG-CD1 4.32Å; K17-Y21 HydrophobicContact CG-CG 4.38Å; K17-Y21 VanDerWaalsContact NZ-CE2 3.35Å; K17-Y21 PolarHBondContact NZ-OH 3.33Å
18D97.6Very high98Very high140 Ų14073.1 Ų73.175%0.74936%0.355SS*.  trans-55.7144.8173.2-67.2-39.4000110.8E20 Y21D18-E20 PolarHBondContact O-N 3.25Å; D18-E20 VanDerWaalsContact O-N 3.09Å; D18-Y21 WeakPolarHBondContact O-CB 3.31Å; D18-Y21 PolarHBondContact O-N 3.48Å
19R97.9Very high97.9Very high167 Ų16769.4 Ų69.463%0.6334%0.342SS*.Hα-helixtrans-52.8-36.9-178.3178.6174.8170.2171.90.6112.8Y21 W22 D23R19-Y21 PolarHBondContact O-N 2.86Å; R19-Y21 VanDerWaalsContact O-N 3.17Å; R19-W22 HydrophobicContact CB-CZ2 4.19Å; R19-W22 HydrophobicContact CG-CH2 3.97Å; R19-W22 HydrophobicContact CG-CZ2 3.86Å; R19-W22 PolarHBondContact O-N 2.84Å; R19-D23 HydrophobicContact CG-CB 3.8Å; R19-D23 IonicContact CZ-OD2 3.93Å; R19-D23 IonicContact NE-OD2 3.73Å; R19-D23 PolarHBondContact NE-OD2 2.61Å; R19-D23 IonicContact NH2-OD2 3.77Å; R19-D23 PolarHBondContact NH2-OD2 3.19Å; R19-D23 WeakPolarHBondContact O-CB 3.45Å; R19-D23 PolarHBondContact O-N 3.38Å
20E97.7Very high97.8Very high144 Ų14475.7 Ų75.767%0.67337%0.369SS*.Hα-helixtrans-59.3-25.4177.8-173.5-179.9169.200113.2D18 K81D18-E20 PolarHBondContact O-N 3.25Å; D18-E20 VanDerWaalsContact O-N 3.09Å; E20-K81 WeakPolarHBondContact O-CE 3.42Å; E20-K81 PolarHBondContact O-NZ 2.96Å
21Y98.6Very high97.7Very high34 Ų3477.5 Ų77.513%0.13338%0.375CS..Hα-helixtrans-62.5-45.1179.6-175.7-95.6000112.2N14 K17 D18 R19 K81 N85 Q148 F179N14-Y21 WeakPolarHBondContact OD1-CE1 3.41Å; K17-Y21 HydrophobicContact CB-CD1 4.1Å; K17-Y21 HydrophobicContact CB-CG 4.04Å; K17-Y21 HydrophobicContact CD-CD1 3.29Å; K17-Y21 HydrophobicContact CD-CD2 3.82Å; K17-Y21 HydrophobicContact CD-CE1 3.32Å; K17-Y21 HydrophobicContact CD-CE2 3.85Å; K17-Y21 HydrophobicContact CD-CG 3.55Å; K17-Y21 HydrophobicContact CG-CD1 4.32Å; K17-Y21 HydrophobicContact CG-CG 4.38Å; K17-Y21 VanDerWaalsContact NZ-CE2 3.35Å; K17-Y21 PolarHBondContact NZ-OH 3.33Å; D18-Y21 WeakPolarHBondContact O-CB 3.31Å; D18-Y21 PolarHBondContact O-N 3.48Å; R19-Y21 PolarHBondContact O-N 2.86Å; R19-Y21 VanDerWaalsContact O-N 3.17Å; Y21-K81 VanDerWaalsContact O-CE 3.23Å; Y21-K81 WeakPolarHBondContact O-CE 3.32Å; Y21-N85 HydrophobicContact CE2-CB 3.85Å; Y21-N85 VanDerWaalsContact CE2-CG 3.44Å; Y21-N85 WeakPolarHBondContact CE2-ND2 3.39Å; Y21-N85 VanDerWaalsContact CZ-ND2 3.35Å; Y21-N85 PolarHBondContact O-ND2 3.03Å; Y21-Q148 WeakPolarHBondContact OH-CB 3.37Å; Y21-Q148 PolarHBondContact OH-O 3.12Å; Y21-Q148 PolarHBondContact OH-OE1 3.41Å; Y21-F179 HydrophobicContact CD1-CE1 4.1Å; Y21-F179 HydrophobicContact CE1-CD1 4.32Å; Y21-F179 AromaticContact CE1-CE1 3.83Å; Y21-F179 HydrophobicContact CE1-CE1 3.83Å
22W98.3Very high97.6Very high70 Ų7078 Ų7827%0.26538%0.381SS..Hα-helixtrans-112.2-18.5-173.155.3-101.5000113.6N14 R19 Y24 F179 H181N14-W22 HydrophobicContact CB-CB 4.48Å; N14-W22 HydrophobicContact CB-CG 4.31Å; N14-W22 PolarHBondContact O-NE1 3.2Å; R19-W22 HydrophobicContact CB-CZ2 4.19Å; R19-W22 HydrophobicContact CG-CH2 3.97Å; R19-W22 HydrophobicContact CG-CZ2 3.86Å; R19-W22 PolarHBondContact O-N 2.84Å; W22-Y24 WeakPolarHBondContact O-CD1 3.19Å; W22-Y24 PolarHBondContact O-N 3.05Å; W22-F179 HydrophobicContact CB-CB 4.19Å; W22-F179 HydrophobicContact CB-CD1 3.74Å; W22-F179 HydrophobicContact CB-CD2 4.31Å; W22-F179 HydrophobicContact CB-CE1 4.18Å; W22-F179 HydrophobicContact CB-CG 3.81Å; W22-H181 AromaticContact CD2-CE1 3.48Å; W22-H181 VanDerWaalsContact CD2-CE1 3.48Å; W22-H181 AromaticContact CD2-NE2 3.74Å; W22-H181 AromaticContact CE2-CE1 3.9Å; W22-H181 AromaticContact CE3-CE1 3.79Å; W22-H181 AromaticContact CE3-NE2 3.68Å; W22-H181 AromaticContact CG-CE1 3.61Å; W22-H181 AromaticContact CG-NE2 3.86Å
23D98.2Very high97.5Very high19 Ų1979.2 Ų79.210%0.10239%0.388CS..  trans-76.768.5175.7-172.5-1.2000111.2R19 E25 S26 H27R19-D23 HydrophobicContact CG-CB 3.8Å; R19-D23 IonicContact CZ-OD2 3.93Å; R19-D23 IonicContact NE-OD2 3.73Å; R19-D23 PolarHBondContact NE-OD2 2.61Å; R19-D23 IonicContact NH2-OD2 3.77Å; R19-D23 PolarHBondContact NH2-OD2 3.19Å; R19-D23 WeakPolarHBondContact O-CB 3.45Å; R19-D23 PolarHBondContact O-N 3.38Å; D23-E25 PolarHBondContact O-N 3.16Å; D23-E25 VanDerWaalsContact O-N 3.16Å; D23-E25 PolarHBondContact OD1-N 3.46Å; D23-S26 PolarHBondContact O-N 3.11Å; D23-S26 PolarHBondContact OD1-N 2.89Å; D23-S26 PolarHBondContact OD1-OG 3.41Å; D23-S26 PolarHBondContact OD2-OG 3.34Å; D23-H27 PolarHBondContact O-N 2.98Å
24Y98.2Very high97.3Very high23 Ų2379.8 Ų79.89%0.0939%0.389CS..THydrogen-bonded Turntrans-65.2-14.3179.860.1-99.4000113.3W22 S26 K74 K77 R78 E178 F179W22-Y24 WeakPolarHBondContact O-CD1 3.19Å; W22-Y24 PolarHBondContact O-N 3.05Å; Y24-S26 VanDerWaalsContact C-N 3.33Å; Y24-K74 HydrophobicContact CD2-CG 4.39Å; Y24-K74 HydrophobicContact CE2-CD 4.24Å; Y24-K74 HydrophobicContact CE2-CG 3.62Å; Y24-K74 WeakPolarHBondContact OH-CE 3.22Å; Y24-K77 WeakPolarHBondContact O-CB 3.32Å; Y24-K77 WeakPolarHBondContact O-CD 3.46Å; Y24-R78 HydrophobicContact CD1-CB 4.24Å; Y24-R78 HydrophobicContact CD1-CG 3.89Å; Y24-R78 HydrophobicContact CD2-CB 3.55Å; Y24-R78 HydrophobicContact CD2-CG 4.09Å; Y24-R78 HydrophobicContact CE1-CB 4.32Å; Y24-R78 HydrophobicContact CE1-CG 3.78Å; Y24-R78 HydrophobicContact CE2-CB 3.63Å; Y24-R78 HydrophobicContact CE2-CG 3.98Å; Y24-R78 HydrophobicContact CG-CB 3.87Å; Y24-R78 HydrophobicContact CG-CG 4.04Å; Y24-E178 VanDerWaalsContact CE1-OE1 3.23Å; Y24-E178 WeakPolarHBondContact CE1-OE1 3.46Å; Y24-E178 PolarHBondContact OH-OE1 2.71Å; Y24-E178 VanDerWaalsContact OH-OE1 3.07Å; Y24-F179 AromaticContact CD1-CD2 3.68Å; Y24-F179 HydrophobicContact CD1-CD2 3.68Å; Y24-F179 AromaticContact CD1-CE2 3.76Å; Y24-F179 HydrophobicContact CD1-CE2 3.76Å; Y24-F179 HydrophobicContact CE1-CD2 4.04Å
25E97.4Very high97.2Very high102 Ų10285.1 Ų85.148%0.47742%0.418SS..THydrogen-bonded Turntrans-70.2-36.2175.4-63.7-160.2-135.100111.4D23 K74 K77D23-E25 PolarHBondContact O-N 3.16Å; D23-E25 VanDerWaalsContact O-N 3.16Å; D23-E25 PolarHBondContact OD1-N 3.46Å; E25-K74 HydrophobicContact CG-CD 4.1Å; E25-K74 HydrophobicContact CG-CG 4.1Å; E25-K74 WeakPolarHBondContact OE1-CE 3.5Å; E25-K74 IonicContact OE1-NZ 3.73Å; E25-K74 PolarHBondContact OE1-NZ 3.11Å; E25-K77 PolarHBondContact O-NZ 2.94Å
26S97.2Very high97.1Very high75 Ų7582.1 Ų82.152%0.52440%0.403SS..THydrogen-bonded Turntrans-79.7-17.9177.6-60.20000113.2D23 Y24 V28D23-S26 PolarHBondContact O-N 3.11Å; D23-S26 PolarHBondContact OD1-N 2.89Å; D23-S26 PolarHBondContact OD1-OG 3.41Å; D23-S26 PolarHBondContact OD2-OG 3.34Å; Y24-S26 VanDerWaalsContact C-N 3.33Å; S26-V28 PolarHBondContact O-N 3.45Å
27H97.8Very high97.1Very high20 Ų2075.8 Ų75.89%0.09337%0.372CS..PPolyproline II helixtrans-57.8132.7-177.517963.2000113.2D23 K77 E84D23-H27 PolarHBondContact O-N 2.98Å; H27-K77 WeakPolarHBondContact O-CD 3.4Å; H27-K77 WeakPolarHBondContact O-CE 3.43Å; H27-K77 PolarHBondContact O-NZ 3.43Å; H27-E84 IonicContact CE1-OE1 3.91Å; H27-E84 IonicContact CE1-OE2 2.63Å; H27-E84 PolarHBondContact CE1-OE2 2.74Å; H27-E84 IonicContact NE2-OE1 3.8Å; H27-E84 IonicContact NE2-OE2 2.75Å; H27-E84 PolarHBondContact NE2-OE2 3.09Å
28V97.3Very high97.1Very high119 Ų11977.7 Ų77.772%0.72139%0.385SS*.PPolyproline II helixtrans-100.3118.4177.71800000108.4S26S26-V28 PolarHBondContact O-N 3.45Å
29I96.3Very high97.1Very high22 Ų2275.5 Ų75.511%0.11337%0.373CS..PPolyproline II helixtrans-85.2124-178.3-60162.5000109.4W31 K77 I80 V98I29-W31 HydrophobicContact CB-CZ2 3.95Å; I29-W31 HydrophobicContact CD1-CH2 3.9Å; I29-W31 HydrophobicContact CD1-CZ2 3.64Å; I29-W31 HydrophobicContact CG1-CZ2 4.42Å; I29-W31 HydrophobicContact CG2-CD2 3.73Å; I29-W31 HydrophobicContact CG2-CE3 3.96Å; I29-W31 HydrophobicContact CG2-CG 4.29Å; I29-W31 HydrophobicContact CG2-CH2 4.03Å; I29-W31 HydrophobicContact CG2-CZ2 3.76Å; I29-W31 HydrophobicContact CG2-CZ3 4.12Å; I29-W31 PolarHBondContact O-NE1 3.35Å; I29-K77 HydrophobicContact CD1-CG 3.9Å; I29-I80 HydrophobicContact CD1-CD1 3.46Å; I29-I80 VanDerWaalsContact CD1-CD1 3.46Å; I29-I80 HydrophobicContact CG1-CD1 3.97Å; I29-I80 HydrophobicContact CG2-CD1 4.23Å; I29-V98 HydrophobicContact CG2-CB 4.37Å; I29-V98 HydrophobicContact CG2-CG1 3.82Å
30E96Very high97.1Very high174 Ų17471.7 Ų71.781%0.81336%0.364SS*.  trans-81.5112.9165.4-64.6-174.7175.300109.3
31W96.9Very high97.1Very high103 Ų10370.9 Ų70.939%0.3936%0.355SS..PPolyproline II helixtrans-89.7120.3-177.7-59.395.1000110.4I29 V98 K100 P107I29-W31 HydrophobicContact CB-CZ2 3.95Å; I29-W31 HydrophobicContact CD1-CH2 3.9Å; I29-W31 HydrophobicContact CD1-CZ2 3.64Å; I29-W31 HydrophobicContact CG1-CZ2 4.42Å; I29-W31 HydrophobicContact CG2-CD2 3.73Å; I29-W31 HydrophobicContact CG2-CE3 3.96Å; I29-W31 HydrophobicContact CG2-CG 4.29Å; I29-W31 HydrophobicContact CG2-CH2 4.03Å; I29-W31 HydrophobicContact CG2-CZ2 3.76Å; I29-W31 HydrophobicContact CG2-CZ3 4.12Å; I29-W31 PolarHBondContact O-NE1 3.35Å; W31-V98 CarbonylContact C-O 3.6Å; W31-V98 WeakPolarHBondContact CA-O 3.44Å; W31-V98 HydrophobicContact CE3-CG1 3.7Å; W31-V98 HydrophobicContact CH2-CG1 4.32Å; W31-V98 HydrophobicContact CZ3-CG1 3.48Å; W31-V98 VanDerWaalsContact CZ3-CG1 3.48Å; W31-K100 HydrophobicContact CB-CB 4.44Å; W31-K100 HydrophobicContact CD2-CB 3.9Å; W31-K100 HydrophobicContact CD2-CD 4.05Å; W31-K100 HydrophobicContact CE3-CB 3.56Å; W31-K100 HydrophobicContact CE3-CD 4.25Å; W31-K100 HydrophobicContact CE3-CG 4.39Å; W31-K100 HydrophobicContact CG-CB 4.3Å; W31-K100 HydrophobicContact CZ2-CD 4.39Å; W31-K100 HydrophobicContact CZ3-CB 4.1Å; W31-K100 HydrophobicContact CZ3-CD 4.48Å; W31-P107 HydrophobicContact CH2-CB 3.67Å; W31-P107 HydrophobicContact CZ3-CB 3.55Å
32G96.8Very high97Very high23 Ų2374 Ų7424%0.23737%0.369CS..BIsolated β-bridgetrans-73.9170.2169.900000113.2V98G32-V98 PolarHBondContact N-O 2.59Å
33N95.2Very high96.8Very high77 Ų7774 Ų7441%0.41237%0.374SS..PPolyproline II helixtrans-81.3122.9177.8-169.52.6000111.2D35N33-D35 VanDerWaalsContact C-N 3.28Å; N33-D35 PolarHBondContact O-N 2.98Å; N33-D35 PolarHBondContact OD1-N 2.95Å; N33-D35 PolarHBondContact OD1-OD2 3.35Å
34I95Very high96.5Very high36 Ų3674.5 Ų74.519%0.18538%0.383CS..G310 helixtrans-69.8-26.2177.2-163.1165.3000112.4N36 Y37 V99 D101I34-N36 PolarHBondContact O-N 2.87Å; I34-N36 VanDerWaalsContact O-N 3.12Å; I34-Y37 PolarHBondContact O-N 3.4Å; I34-V99 HydrophobicContact CB-CB 4.18Å; I34-V99 HydrophobicContact CB-CG2 4.22Å; I34-V99 HydrophobicContact CD1-CG2 4.27Å; I34-V99 HydrophobicContact CG1-CB 4.47Å; I34-V99 HydrophobicContact CG1-CG2 3.96Å; I34-D101 HydrophobicContact CD1-CB 3.93Å
35D95.1Very high96.2Very high113 Ų11382.2 Ų82.260%0.60441%0.412SS*.G310 helixtrans-68.4-11.3-177.7-59.9-26000112.8N33 Y37N33-D35 VanDerWaalsContact C-N 3.28Å; N33-D35 PolarHBondContact O-N 2.98Å; N33-D35 PolarHBondContact OD1-N 2.95Å; N33-D35 PolarHBondContact OD1-OD2 3.35Å; D35-Y37 PolarHBondContact O-N 2.73Å
36N97Very high95.7Very high47 Ų4778.9 Ų78.925%0.25141%0.406SS..G310 helixtrans-70.8-8.6171.2-66.95.8000112.5I34 D56 V57 T58I34-N36 PolarHBondContact O-N 2.87Å; I34-N36 VanDerWaalsContact O-N 3.12Å; N36-D56 CarbonylContact O-C 3.58Å; N36-D56 WeakPolarHBondContact O-CA 3.32Å; N36-V57 WeakPolarHBondContact O-CG2 2.97Å; N36-V57 PolarHBondContact O-N 3.49Å; N36-T58 HydrophobicContact CB-CG2 4.04Å
37Y98.1Very high95.3Very high23 Ų2383.2 Ų83.29%0.0942%0.415CS..EExtended strand (participates in β ladder)trans-124.4122.3-169.4-59-76.1000112.7I34 D35 I55 D56 V63 I65 N97 V99 V110I34-Y37 PolarHBondContact O-N 3.4Å; D35-Y37 PolarHBondContact O-N 2.73Å; Y37-I55 WeakPolarHBondContact CA-O 3.48Å; Y37-D56 HydrophobicContact CD1-CB 3.95Å; Y37-D56 HydrophobicContact CE1-CB 3.61Å; Y37-D56 WeakPolarHBondContact CE1-OD2 3.27Å; Y37-D56 PolarHBondContact OH-OD2 2.78Å; Y37-D56 VanDerWaalsContact OH-OD2 3.08Å; Y37-V63 HydrophobicContact CD1-CG2 3.97Å; Y37-V63 HydrophobicContact CE1-CG2 4.38Å; Y37-I65 HydrophobicContact CD1-CD1 4.34Å; Y37-I65 HydrophobicContact CG-CD1 4.15Å; Y37-N97 WeakPolarHBondContact OH-CB 3.25Å; Y37-N97 PolarHBondContact OH-ND2 2.72Å; Y37-V99 HydrophobicContact CD2-CG1 4.09Å; Y37-V99 HydrophobicContact CE2-CG1 3.63Å; Y37-V110 HydrophobicContact CD1-CG1 4.13Å; Y37-V110 HydrophobicContact CD1-CG2 4.36Å; Y37-V110 HydrophobicContact CD2-CG2 4.18Å; Y37-V110 HydrophobicContact CE1-CB 4.4Å; Y37-V110 HydrophobicContact CE1-CG1 3.61Å; Y37-V110 HydrophobicContact CE1-CG2 4.13Å; Y37-V110 HydrophobicContact CE2-CG2 3.95Å; Y37-V110 HydrophobicContact CG-CG2 4.39Å
38N97.2Very high95Very high100 Ų10086.4 Ų86.454%0.53543%0.427SS..EExtended strand (participates in β ladder)trans-98127.7172.4-77.2-19.7000110.7G54 I55 V57N38-G54 CarbonylContact O-C 3.46Å; N38-G54 WeakPolarHBondContact O-CA 3.47Å; N38-I55 PolarHBondContact N-O 3.08Å; N38-I55 PolarHBondContact O-N 3.03Å; N38-V57 HydrophobicContact CB-CG1 4.22Å; N38-V57 VanDerWaalsContact ND2-CG1 3.31Å; N38-V57 WeakPolarHBondContact ND2-CG1 3.33Å
39L97.2Very high94.9Very high95 Ų9581 Ų8150%0.49740%0.395SS..EExtended strand (participates in β ladder)trans-77129.4174-61.4175.4000110.4F52 I65L39-F52 HydrophobicContact CD1-CD1 4.47Å; L39-F52 HydrophobicContact CD2-CB 3.6Å; L39-F52 HydrophobicContact CD2-CD1 4.4Å; L39-F52 HydrophobicContact CD2-CD2 4.43Å; L39-F52 HydrophobicContact CD2-CG 3.92Å; L39-I65 HydrophobicContact CD2-CB 4.24Å; L39-I65 HydrophobicContact CD2-CD1 3.83Å; L39-I65 HydrophobicContact CD2-CG2 4.47Å
40I97.5Very high94.9Very high86 Ų8682.4 Ų82.444%0.44140%0.401SS..EExtended strand (participates in β ladder)trans-94.8-60.7175.5-65.2165.9000110.2E53 I55I40-E53 HydrophobicContact CB-CG 4.49Å; I40-E53 HydrophobicContact CD1-CG 4.13Å; I40-E53 PolarHBondContact N-O 3.2Å; I40-I55 HydrophobicContact CD1-CD1 3.67Å; I40-I55 HydrophobicContact CD1-CG1 3.63Å; I40-I55 HydrophobicContact CG1-CD1 4.38Å; I40-I55 HydrophobicContact CG1-CG1 4.49Å
41R97.3Very high95Very high127 Ų12775.8 Ų75.848%0.47937%0.372SS..EExtended strand (participates in β ladder)trans-152.1154.6-17564.9177178.91074.9111.8L43 F52 E53R41-L43 HydrophobicContact CG-CD2 4.4Å; R41-L43 VanDerWaalsContact NH1-CD2 3.25Å; R41-L43 VanDerWaalsContact NH2-CD2 3.34Å; R41-F52 CarbonylContact O-C 3.55Å; R41-F52 VanDerWaalsContact O-CA 3.27Å; R41-F52 WeakPolarHBondContact O-CA 3.37Å; R41-E53 HydrophobicContact CG-CB 4.02Å; R41-E53 IonicContact CZ-OE2 3.12Å; R41-E53 PolarHBondContact N-O 2.91Å; R41-E53 IonicContact NE-OE2 3.37Å; R41-E53 PolarHBondContact NE-OE2 2.72Å; R41-E53 IonicContact NH2-OE2 2.73Å; R41-E53 PolarHBondContact NH2-OE2 2.95Å; R41-E53 PolarHBondContact O-N 2.84Å
42K97.1Very high95Very high101 Ų10172.4 Ų72.444%0.43936%0.36SS..EExtended strand (participates in β ladder)trans-75.9126.9172.3-167.6171.5-170.6162.60110E50 F52K42-E50 IonicContact NZ-OE1 2.93Å; K42-E50 PolarHBondContact NZ-OE1 3.47Å; K42-F52 HydrophobicContact CB-CD1 3.91Å; K42-F52 HydrophobicContact CB-CE1 3.77Å; K42-F52 HydrophobicContact CD-CE1 4.23Å; K42-F52 HydrophobicContact CD-CZ 4.33Å; K42-F52 HydrophobicContact CG-CD1 4.22Å; K42-F52 HydrophobicContact CG-CE1 3.88Å; K42-F52 HydrophobicContact CG-CZ 4.23Å
43L94.3Very high95.1Very high70 Ų7072 Ų7237%0.36635%0.352SS..EExtended strand (participates in β ladder)trans-92.2-37.1175.5-62.7-179.6000111.7R41 V51 E53 V64R41-L43 HydrophobicContact CG-CD2 4.4Å; R41-L43 VanDerWaalsContact NH1-CD2 3.25Å; R41-L43 VanDerWaalsContact NH2-CD2 3.34Å; L43-V51 HydrophobicContact CB-CG1 4.27Å; L43-V51 HydrophobicContact CD1-CG1 4.27Å; L43-V51 PolarHBondContact N-O 3.5Å; L43-E53 HydrophobicContact CD1-CB 4.07Å; L43-E53 HydrophobicContact CD2-CB 4.01Å; L43-E53 HydrophobicContact CG-CB 4.06Å; L43-V64 HydrophobicContact CD1-CG1 4.24Å; L43-V64 HydrophobicContact CD1-CG2 3.9Å
44G91.7Very high95.2Very high28 Ų2868.3 Ų68.329%0.28933%0.332SS..EExtended strand (participates in β ladder)trans-174.1173.2-175.300000114.6V51G44-V51 PolarHBondContact N-O 3.29Å; G44-V51 PolarHBondContact O-N 2.87Å
45R92.2Very high95.4Very high185 Ų18568.5 Ų68.570%0.69833%0.333SS*.EExtended strand (participates in β ladder)trans-134.9115.6177.8-171.7178.6-163-149.7-3.3109.4E50R45-E50 HydrophobicContact CG-CG 4.27Å; R45-E50 IonicContact NE-OE1 3.9Å; R45-E50 PolarHBondContact NE-OE1 3.06Å
46G87.3Confident95.5Very high33 Ų3363.7 Ų63.734%0.3431%0.308SS..  trans-95.9176.9173.400000112.3Y48 S49 K69G46-Y48 VanDerWaalsContact C-N 3.28Å; G46-Y48 PolarHBondContact O-N 2.97Å; G46-S49 PolarHBondContact N-O 2.89Å; G46-K69 PolarHBondContact O-NZ 3.3Å
47K87.1Confident95.5Very high165 Ų16564.9 Ų64.972%0.71732%0.316SS*.SBendtrans-61.2-39.3172.5-176.2174.6178.4-172.90111.9K69K47-K69 WeakPolarHBondContact O-CD 3.36Å
48Y91.5Very high95.5Very high87 Ų8768.2 Ų68.234%0.34134%0.339SS..SBendtrans-112.90.3-172.7-56.4-67.4000114.1G46 K69 V71G46-Y48 VanDerWaalsContact C-N 3.28Å; G46-Y48 PolarHBondContact O-N 2.97Å; Y48-K69 WeakPolarHBondContact O-CB 3.48Å; Y48-K69 PolarHBondContact O-N 3.02Å; Y48-V71 HydrophobicContact CD1-CG1 3.69Å; Y48-V71 HydrophobicContact CE1-CG1 4.46Å; Y48-V71 HydrophobicContact CG-CG1 4.45Å
49S95.3Very high95.5Very high7 Ų767.8 Ų67.85%0.04934%0.337CS..EExtended strand (participates in β ladder)trans-153.1164.7-17657.90000113.3G46 K66 I67G46-S49 PolarHBondContact N-O 2.89Å; S49-K66 WeakPolarHBondContact OG-CE 3.38Å; S49-I67 CarbonylContact C-O 3.57Å; S49-I67 WeakPolarHBondContact CA-O 3.45Å; S49-I67 VanDerWaalsContact CB-O 3.28Å; S49-I67 WeakPolarHBondContact CB-O 3.49Å
50E96.9Very high95.4Very high51 Ų5169.3 Ų69.324%0.23835%0.346CS..EExtended strand (participates in β ladder)trans-120.8136.6161.3-55.6-157.9110.800108K42 R45 F52 K66 I67K42-E50 IonicContact NZ-OE1 2.93Å; K42-E50 PolarHBondContact NZ-OE1 3.47Å; R45-E50 HydrophobicContact CG-CG 4.27Å; R45-E50 IonicContact NE-OE1 3.9Å; R45-E50 PolarHBondContact NE-OE1 3.06Å; E50-F52 HydrophobicContact CB-CE2 3.66Å; E50-F52 HydrophobicContact CB-CZ 4.28Å; E50-K66 CarbonylContact O-C 3.57Å; E50-I67 PolarHBondContact N-O 3.12Å; E50-I67 PolarHBondContact O-N 3.45Å
51V97.6Very high95.5Very high35 Ų3569.3 Ų69.321%0.21234%0.344CS..EExtended strand (participates in β ladder)trans-119.2131.8-170.2-173.40000108.9L43 G44 V64 I65 K66L43-V51 HydrophobicContact CB-CG1 4.27Å; L43-V51 HydrophobicContact CD1-CG1 4.27Å; L43-V51 PolarHBondContact N-O 3.5Å; G44-V51 PolarHBondContact N-O 3.29Å; G44-V51 PolarHBondContact O-N 2.87Å; V51-V64 HydrophobicContact CG1-CG1 3.38Å; V51-I65 WeakPolarHBondContact CA-O 3.16Å; V51-K66 HydrophobicContact CG2-CG 4.26Å
52F98Very high95.5Very high32 Ų3267.3 Ų67.314%0.1434%0.34CS..EExtended strand (participates in β ladder)trans-130.1148.4-176.9-62.1-97.5000110.3L39 R41 K42 E50 V64 I65 I67L39-F52 HydrophobicContact CD1-CD1 4.47Å; L39-F52 HydrophobicContact CD2-CB 3.6Å; L39-F52 HydrophobicContact CD2-CD1 4.4Å; L39-F52 HydrophobicContact CD2-CD2 4.43Å; L39-F52 HydrophobicContact CD2-CG 3.92Å; R41-F52 CarbonylContact O-C 3.55Å; R41-F52 VanDerWaalsContact O-CA 3.27Å; R41-F52 WeakPolarHBondContact O-CA 3.37Å; K42-F52 HydrophobicContact CB-CD1 3.91Å; K42-F52 HydrophobicContact CB-CE1 3.77Å; K42-F52 HydrophobicContact CD-CE1 4.23Å; K42-F52 HydrophobicContact CD-CZ 4.33Å; K42-F52 HydrophobicContact CG-CD1 4.22Å; K42-F52 HydrophobicContact CG-CE1 3.88Å; K42-F52 HydrophobicContact CG-CZ 4.23Å; E50-F52 HydrophobicContact CB-CE2 3.66Å; E50-F52 HydrophobicContact CB-CZ 4.28Å; F52-V64 CarbonylContact O-C 3.55Å; F52-V64 WeakPolarHBondContact O-CA 3.38Å; F52-I65 PolarHBondContact N-O 3.04Å; F52-I65 PolarHBondContact O-N 2.95Å; F52-I67 HydrophobicContact CD2-CD1 3.94Å; F52-I67 HydrophobicContact CD2-CG1 4.23Å; F52-I67 HydrophobicContact CE2-CD1 3.7Å; F52-I67 HydrophobicContact CE2-CG1 4.26Å
53E98Very high95.5Very high14 Ų1462.5 Ų62.57%0.06532%0.319CS..EExtended strand (participates in β ladder)trans-81.8142159.7-179.2174.917800107.9I40 R41 L43 H62 Y113I40-E53 HydrophobicContact CB-CG 4.49Å; I40-E53 HydrophobicContact CD1-CG 4.13Å; I40-E53 PolarHBondContact N-O 3.2Å; R41-E53 HydrophobicContact CG-CB 4.02Å; R41-E53 IonicContact CZ-OE2 3.12Å; R41-E53 PolarHBondContact N-O 2.91Å; R41-E53 IonicContact NE-OE2 3.37Å; R41-E53 PolarHBondContact NE-OE2 2.72Å; R41-E53 IonicContact NH2-OE2 2.73Å; R41-E53 PolarHBondContact NH2-OE2 2.95Å; R41-E53 PolarHBondContact O-N 2.84Å; L43-E53 HydrophobicContact CD1-CB 4.07Å; L43-E53 HydrophobicContact CD2-CB 4.01Å; L43-E53 HydrophobicContact CG-CB 4.06Å; E53-H62 IonicContact OE1-CE1 2.91Å; E53-H62 IonicContact OE1-ND1 3.14Å; E53-H62 PolarHBondContact OE1-ND1 3.38Å; E53-Y113 HydrophobicContact CG-CD2 4.19Å; E53-Y113 HydrophobicContact CG-CE2 3.98Å
54G98Very high95.7Very high0 Ų060.2 Ų60.20%031%0.307CS..EExtended strand (participates in β ladder)trans-150.6-179.7175.200000112.3N38 V63N38-G54 CarbonylContact O-C 3.46Å; N38-G54 WeakPolarHBondContact O-CA 3.47Å; G54-V63 PolarHBondContact N-O 2.59Å; G54-V63 PolarHBondContact O-N 3.17Å
55I98.4Very high96Very high39 Ų3959.2 Ų59.220%0.230%0.295CS..EExtended strand (participates in β ladder)trans-122.1134.9173.9-72.3163.4000108.5Y37 N38 I40 V57 E61Y37-I55 WeakPolarHBondContact CA-O 3.48Å; N38-I55 PolarHBondContact N-O 3.08Å; N38-I55 PolarHBondContact O-N 3.03Å; I40-I55 HydrophobicContact CD1-CD1 3.67Å; I40-I55 HydrophobicContact CD1-CG1 3.63Å; I40-I55 HydrophobicContact CG1-CD1 4.38Å; I40-I55 HydrophobicContact CG1-CG1 4.49Å; I55-V57 PolarHBondContact O-N 2.98Å; I55-E61 WeakPolarHBondContact CA-O 3.43Å
56D98.3Very high96.3Very high13 Ų1351.5 Ų51.57%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-78.2108.6162.7-170.8-32.8000108.8N36 Y37 T58 N59 D60 E61 V63N36-D56 CarbonylContact O-C 3.58Å; N36-D56 WeakPolarHBondContact O-CA 3.32Å; Y37-D56 HydrophobicContact CD1-CB 3.95Å; Y37-D56 HydrophobicContact CE1-CB 3.61Å; Y37-D56 WeakPolarHBondContact CE1-OD2 3.27Å; Y37-D56 PolarHBondContact OH-OD2 2.78Å; Y37-D56 VanDerWaalsContact OH-OD2 3.08Å; D56-T58 PolarHBondContact O-N 3.34Å; D56-T58 WeakPolarHBondContact OD1-CB 3.4Å; D56-T58 PolarHBondContact OD1-N 3.16Å; D56-T58 PolarHBondContact OD1-OG1 3.4Å; D56-N59 WeakPolarHBondContact CB-OD1 3.39Å; D56-N59 PolarHBondContact O-N 3.02Å; D56-N59 PolarHBondContact O-OD1 2.92Å; D56-D60 WeakPolarHBondContact O-CA 3.43Å; D56-D60 PolarHBondContact O-N 3.49Å; D56-E61 PolarHBondContact N-O 3.42Å; D56-E61 PolarHBondContact O-N 2.99Å; D56-V63 HydrophobicContact CB-CG1 4.37Å
57V97.3Very high96.8Very high72 Ų7252.1 Ų52.144%0.43626%0.262SS..THydrogen-bonded Turntrans-72.8-9.7-173-54.20000113N36 N38 I55 N59N36-V57 WeakPolarHBondContact O-CG2 2.97Å; N36-V57 PolarHBondContact O-N 3.49Å; N38-V57 HydrophobicContact CB-CG1 4.22Å; N38-V57 VanDerWaalsContact ND2-CG1 3.31Å; N38-V57 WeakPolarHBondContact ND2-CG1 3.33Å; I55-V57 PolarHBondContact O-N 2.98Å; V57-N59 VanDerWaalsContact C-N 3.35Å
58T97.1Very high97.2Very high93 Ų9344.6 Ų44.657%0.57123%0.229SC*.THydrogen-bonded Turntrans-78.5-23.4179.370.30000112.4N36 D56N36-T58 HydrophobicContact CB-CG2 4.04Å; D56-T58 PolarHBondContact O-N 3.34Å; D56-T58 WeakPolarHBondContact OD1-CB 3.4Å; D56-T58 PolarHBondContact OD1-N 3.16Å; D56-T58 PolarHBondContact OD1-OG1 3.4Å
59N97.1Very high97.4Very high90 Ų9042.9 Ų42.948%0.48122%0.224SC..THydrogen-bonded Turntrans-140.74.8-176.764.76.6000114.2D56 V57 E61D56-N59 WeakPolarHBondContact CB-OD1 3.39Å; D56-N59 PolarHBondContact O-N 3.02Å; D56-N59 PolarHBondContact O-OD1 2.92Å; V57-N59 VanDerWaalsContact C-N 3.35Å; N59-E61 PolarHBondContact O-N 3.32Å; N59-E61 WeakPolarHBondContact OD1-CB 3.44Å; N59-E61 PolarHBondContact OD1-N 3.01Å; N59-E61 VanDerWaalsContact OD1-N 3.12Å
60D96.6Very high97.3Very high128 Ų12849 Ų4968%0.68426%0.263SS*.THydrogen-bonded Turntrans60.228.1-179.5-153.536.3000114D56D56-D60 WeakPolarHBondContact O-CA 3.43Å; D56-D60 PolarHBondContact O-N 3.49Å
61E97.6Very high97.1Very high85 Ų8548.5 Ų48.540%0.39726%0.264SS..EExtended strand (participates in β ladder)trans-91.1133.2-177.5-162.3-174.6-17600112.1I55 D56 N59 K96I55-E61 WeakPolarHBondContact CA-O 3.43Å; D56-E61 PolarHBondContact N-O 3.42Å; D56-E61 PolarHBondContact O-N 2.99Å; N59-E61 PolarHBondContact O-N 3.32Å; N59-E61 WeakPolarHBondContact OD1-CB 3.44Å; N59-E61 PolarHBondContact OD1-N 3.01Å; N59-E61 VanDerWaalsContact OD1-N 3.12Å; E61-K96 IonicContact OE1-NZ 3.53Å; E61-K96 PolarHBondContact OE1-NZ 2.8Å; E61-K96 IonicContact OE2-NZ 2.72Å; E61-K96 PolarHBondContact OE2-NZ 3.31Å
62H97.5Very high96.9Very high86 Ų8655.3 Ų55.340%0.39829%0.291SS..EExtended strand (participates in β ladder)trans-65.8135.2170.3-79.6-112.8000111.1E53 Y113E53-H62 IonicContact OE1-CE1 2.91Å; E53-H62 IonicContact OE1-ND1 3.14Å; E53-H62 PolarHBondContact OE1-ND1 3.38Å; H62-Y113 HydrophobicContact CB-CD2 4.41Å; H62-Y113 HydrophobicContact CB-CG 4.09Å; H62-Y113 WeakPolarHBondContact O-CB 3.33Å
63V98.5Very high96.7Very high0 Ų061.9 Ų61.90%032%0.319CS..EExtended strand (participates in β ladder)trans-137.7163.7-179.7-65.30000111.5Y37 G54 D56 I65 K96 V110Y37-V63 HydrophobicContact CD1-CG2 3.97Å; Y37-V63 HydrophobicContact CE1-CG2 4.38Å; G54-V63 PolarHBondContact N-O 2.59Å; G54-V63 PolarHBondContact O-N 3.17Å; D56-V63 HydrophobicContact CB-CG1 4.37Å; V63-I65 HydrophobicContact CG2-CD1 4.22Å; V63-I65 HydrophobicContact CG2-CG1 4.03Å; V63-K96 HydrophobicContact CG1-CD 4.06Å; V63-V110 HydrophobicContact CB-CG1 3.77Å; V63-V110 HydrophobicContact CG1-CG1 3.93Å; V63-V110 HydrophobicContact CG2-CG1 3.99Å
64V98.4Very high96.6Very high21 Ų2165.7 Ų65.713%0.12734%0.335CS..EExtended strand (participates in β ladder)trans-111.7130.5167.81720000109.3L43 V51 F52 V110 V111 Y113L43-V64 HydrophobicContact CD1-CG1 4.24Å; L43-V64 HydrophobicContact CD1-CG2 3.9Å; V51-V64 HydrophobicContact CG1-CG1 3.38Å; F52-V64 CarbonylContact O-C 3.55Å; F52-V64 WeakPolarHBondContact O-CA 3.38Å; V64-V110 WeakPolarHBondContact O-CA 3.45Å; V64-V111 HydrophobicContact CB-CG2 3.72Å; V64-V111 HydrophobicContact CG1-CG2 4.06Å; V64-V111 PolarHBondContact N-O 3.43Å; V64-V111 PolarHBondContact O-N 2.87Å; V64-Y113 HydrophobicContact CG2-CD2 4Å
65I98.3Very high96.6Very high7 Ų767.4 Ų67.44%0.03634%0.343CS..EExtended strand (participates in β ladder)trans-113.9108.4-175.6-50.6-177.9000108.5Y37 L39 V51 F52 V63 I67 A108Y37-I65 HydrophobicContact CD1-CD1 4.34Å; Y37-I65 HydrophobicContact CG-CD1 4.15Å; L39-I65 HydrophobicContact CD2-CB 4.24Å; L39-I65 HydrophobicContact CD2-CD1 3.83Å; L39-I65 HydrophobicContact CD2-CG2 4.47Å; V51-I65 WeakPolarHBondContact CA-O 3.16Å; F52-I65 PolarHBondContact N-O 3.04Å; F52-I65 PolarHBondContact O-N 2.95Å; V63-I65 HydrophobicContact CG2-CD1 4.22Å; V63-I65 HydrophobicContact CG2-CG1 4.03Å; I65-I67 HydrophobicContact CG2-CG1 4.31Å; I65-A108 HydrophobicContact CG2-CB 4.02Å
66K97.9Very high96.5Very high24 Ų2466.3 Ų66.310%0.10434%0.337CS..EExtended strand (participates in β ladder)trans-95.596.3177.2-178.9-179.7174.3-1770109S49 E50 V51 L68 E79 A108 L109 D173S49-K66 WeakPolarHBondContact OG-CE 3.38Å; E50-K66 CarbonylContact O-C 3.57Å; V51-K66 HydrophobicContact CG2-CG 4.26Å; K66-L68 HydrophobicContact CD-CD2 4.24Å; K66-L68 HydrophobicContact CG-CD2 4.11Å; K66-L68 PolarHBondContact O-N 3.18Å; K66-E79 IonicContact NZ-OE1 3.69Å; K66-E79 PolarHBondContact NZ-OE1 2.92Å; K66-E79 IonicContact NZ-OE2 3.47Å; K66-A108 CarbonylContact O-C 3.59Å; K66-A108 VanDerWaalsContact O-CA 3.26Å; K66-A108 WeakPolarHBondContact O-CA 3.34Å; K66-L109 HydrophobicContact CB-CB 4.37Å; K66-L109 PolarHBondContact N-O 2.92Å; K66-L109 PolarHBondContact O-N 2.81Å; K66-D173 IonicContact NZ-OD1 3.99Å; K66-D173 PolarHBondContact NZ-OD1 3.1Å
67I97.6Very high96.5Very high46 Ų4668.2 Ų68.224%0.23635%0.345CS..EExtended strand (participates in β ladder)trans-73.9121174-58.3-177.7000108.5S49 E50 F52 I65 T106 A108S49-I67 CarbonylContact C-O 3.57Å; S49-I67 WeakPolarHBondContact CA-O 3.45Å; S49-I67 VanDerWaalsContact CB-O 3.28Å; S49-I67 WeakPolarHBondContact CB-O 3.49Å; E50-I67 PolarHBondContact N-O 3.12Å; E50-I67 PolarHBondContact O-N 3.45Å; F52-I67 HydrophobicContact CD2-CD1 3.94Å; F52-I67 HydrophobicContact CD2-CG1 4.23Å; F52-I67 HydrophobicContact CE2-CD1 3.7Å; F52-I67 HydrophobicContact CE2-CG1 4.26Å; I65-I67 HydrophobicContact CG2-CG1 4.31Å; I67-T106 HydrophobicContact CG2-CG2 3.63Å; I67-A108 HydrophobicContact CG1-CB 4.16Å
68L96.3Very high96.5Very high6 Ų666.1 Ų66.13%0.03133%0.329CS..EExtended strand (participates in β ladder)trans-85.5123.6-177.2-56.6177.8000110.1K66 I76 T106 P107 L109K66-L68 HydrophobicContact CD-CD2 4.24Å; K66-L68 HydrophobicContact CG-CD2 4.11Å; K66-L68 PolarHBondContact O-N 3.18Å; L68-I76 HydrophobicContact CD1-CB 4.46Å; L68-I76 HydrophobicContact CD1-CG1 4.18Å; L68-I76 HydrophobicContact CD1-CG2 3.78Å; L68-T106 WeakPolarHBondContact O-CG2 3.43Å; L68-P107 HydrophobicContact CB-CG 4.23Å; L68-P107 WeakPolarHBondContact CB-O 3.3Å; L68-P107 HydrophobicContact CD1-CB 4.42Å; L68-P107 HydrophobicContact CD1-CG 4.31Å; L68-P107 PolarHBondContact N-O 2.82Å; L68-L109 HydrophobicContact CD1-CD2 4.4Å; L68-L109 HydrophobicContact CD1-CG 4.21Å; L68-L109 HydrophobicContact CD2-CD1 4.37Å; L68-L109 HydrophobicContact CD2-CG 4.44Å; L68-L109 HydrophobicContact CG-CG 4.47Å
69K94.5Very high96.6Very high51 Ų5162.2 Ų62.222%0.22230%0.304CS..PPolyproline II helixtrans-65.3161.7172.2-68.4176.9179.2173.50110.1G46 K47 Y48 V71G46-K69 PolarHBondContact O-NZ 3.3Å; K47-K69 WeakPolarHBondContact O-CD 3.36Å; Y48-K69 WeakPolarHBondContact O-CB 3.48Å; Y48-K69 PolarHBondContact O-N 3.02Å; K69-V71 PolarHBondContact O-N 2.92Å
70P93.8Very high96.6Very high135 Ų13557.9 Ų57.988%0.87728%0.281SS*.SBendtrans-52.3110.5177.3-28.436.2000112.5
71V92.4Very high96.7Very high41 Ų4152.7 Ų52.725%0.24825%0.252CS..  trans-139.6164.3176.7-66.20000109.9Y48 K69 K73 K75 I76Y48-V71 HydrophobicContact CD1-CG1 3.69Å; Y48-V71 HydrophobicContact CE1-CG1 4.46Å; Y48-V71 HydrophobicContact CG-CG1 4.45Å; K69-V71 PolarHBondContact O-N 2.92Å; V71-K73 PolarHBondContact O-N 2.86Å; V71-K75 HydrophobicContact CB-CD 4.37Å; V71-I76 HydrophobicContact CG2-CD1 3.9Å; V71-I76 HydrophobicContact CG2-CG1 3.59Å
72K93.7Very high96.8Very high179 Ų17948.6 Ų48.678%0.77823%0.234SC*.  trans-57.6133.9177.9-66.4-174.2177.9-175.90110.5K74 K75 I76K72-K74 PolarHBondContact O-N 3.24Å; K72-K74 VanDerWaalsContact O-N 3.12Å; K72-K75 WeakPolarHBondContact O-CB 3.49Å; K72-K75 PolarHBondContact O-N 2.93Å; K72-I76 PolarHBondContact O-N 2.91Å
73K94.3Very high96.8Very high170 Ų17044.7 Ų44.774%0.73922%0.216SC*.Hα-helixtrans-50.4-39176.8-70.3-177179.8176.60112.9V71 K75 I76 K77V71-K73 PolarHBondContact O-N 2.86Å; K73-K75 VanDerWaalsContact C-N 3.27Å; K73-K75 PolarHBondContact O-N 3.37Å; K73-I76 WeakPolarHBondContact O-CB 3.47Å; K73-I76 PolarHBondContact O-N 2.99Å; K73-I76 VanDerWaalsContact O-N 3.09Å; K73-K77 PolarHBondContact O-N 2.98Å
74K96Very high96.8Very high94 Ų9447.8 Ų47.841%0.40923%0.23SC..Hα-helixtrans-51.1-43.3174.5179.7172.9175.7164.40112.7Y24 E25 K72 R78Y24-K74 HydrophobicContact CD2-CG 4.39Å; Y24-K74 HydrophobicContact CE2-CD 4.24Å; Y24-K74 HydrophobicContact CE2-CG 3.62Å; Y24-K74 WeakPolarHBondContact OH-CE 3.22Å; E25-K74 HydrophobicContact CG-CD 4.1Å; E25-K74 HydrophobicContact CG-CG 4.1Å; E25-K74 WeakPolarHBondContact OE1-CE 3.5Å; E25-K74 IonicContact OE1-NZ 3.73Å; E25-K74 PolarHBondContact OE1-NZ 3.11Å; K72-K74 PolarHBondContact O-N 3.24Å; K72-K74 VanDerWaalsContact O-N 3.12Å; K74-R78 WeakPolarHBondContact O-CB 3.44Å; K74-R78 PolarHBondContact O-N 3.13Å
75K96.2Very high96.9Very high36 Ų3648.1 Ų48.116%0.15723%0.231CC..Hα-helixtrans-69-37.3179.7-171.4-177.7170.972.10111.9V71 K72 K73 R78 E79 G175V71-K75 HydrophobicContact CB-CD 4.37Å; K72-K75 WeakPolarHBondContact O-CB 3.49Å; K72-K75 PolarHBondContact O-N 2.93Å; K73-K75 VanDerWaalsContact C-N 3.27Å; K73-K75 PolarHBondContact O-N 3.37Å; K75-R78 PolarHBondContact O-N 2.8Å; K75-E79 PolarHBondContact O-N 3.15Å; K75-E79 VanDerWaalsContact O-N 3.07Å; K75-G175 PolarHBondContact NZ-O 3.45Å
76I96.6Very high96.9Very high15 Ų1547.8 Ų47.88%0.07723%0.229CC..Hα-helixtrans-66.7-49.6178.3-56.1176.6000109.9L68 V71 K72 K73 R78 E79 I80 P107L68-I76 HydrophobicContact CD1-CB 4.46Å; L68-I76 HydrophobicContact CD1-CG1 4.18Å; L68-I76 HydrophobicContact CD1-CG2 3.78Å; V71-I76 HydrophobicContact CG2-CD1 3.9Å; V71-I76 HydrophobicContact CG2-CG1 3.59Å; K72-I76 PolarHBondContact O-N 2.91Å; K73-I76 WeakPolarHBondContact O-CB 3.47Å; K73-I76 PolarHBondContact O-N 2.99Å; K73-I76 VanDerWaalsContact O-N 3.09Å; I76-R78 VanDerWaalsContact C-N 3.29Å; I76-R78 PolarHBondContact O-N 2.88Å; I76-E79 PolarHBondContact O-N 3.22Å; I76-I80 HydrophobicContact CG2-CD1 3.73Å; I76-I80 WeakPolarHBondContact O-CG1 3.05Å; I76-I80 PolarHBondContact O-N 2.92Å; I76-P107 HydrophobicContact CD1-CG 3.76Å
77K98.1Very high96.9Very high54 Ų5452.9 Ų52.924%0.23525%0.248CC..Hα-helixtrans-58.8-41.3176.1-66.5-167.7175.8-162.50111.9Y24 E25 H27 I29 K73 I80 K81Y24-K77 WeakPolarHBondContact O-CB 3.32Å; Y24-K77 WeakPolarHBondContact O-CD 3.46Å; E25-K77 PolarHBondContact O-NZ 2.94Å; H27-K77 WeakPolarHBondContact O-CD 3.4Å; H27-K77 WeakPolarHBondContact O-CE 3.43Å; H27-K77 PolarHBondContact O-NZ 3.43Å; I29-K77 HydrophobicContact CD1-CG 3.9Å; K73-K77 PolarHBondContact O-N 2.98Å; K77-I80 PolarHBondContact O-N 2.99Å; K77-K81 VanDerWaalsContact O-CB 3.26Å; K77-K81 WeakPolarHBondContact O-CB 3.32Å; K77-K81 PolarHBondContact O-N 3.44Å
78R98.5Very high96.9Very high28 Ų2854.1 Ų54.111%0.10627%0.272CS..Hα-helixtrans-58.8-50.6176.4-170.4179.964.9-166.99.2112.3Y24 K74 K75 I76 K81 I82 G175 A177 E178Y24-R78 HydrophobicContact CD1-CB 4.24Å; Y24-R78 HydrophobicContact CD1-CG 3.89Å; Y24-R78 HydrophobicContact CD2-CB 3.55Å; Y24-R78 HydrophobicContact CD2-CG 4.09Å; Y24-R78 HydrophobicContact CE1-CB 4.32Å; Y24-R78 HydrophobicContact CE1-CG 3.78Å; Y24-R78 HydrophobicContact CE2-CB 3.63Å; Y24-R78 HydrophobicContact CE2-CG 3.98Å; Y24-R78 HydrophobicContact CG-CB 3.87Å; Y24-R78 HydrophobicContact CG-CG 4.04Å; K74-R78 WeakPolarHBondContact O-CB 3.44Å; K74-R78 PolarHBondContact O-N 3.13Å; K75-R78 PolarHBondContact O-N 2.8Å; I76-R78 VanDerWaalsContact C-N 3.29Å; I76-R78 PolarHBondContact O-N 2.88Å; R78-K81 PolarHBondContact O-N 3.03Å; R78-I82 HydrophobicContact CG-CD1 3.87Å; R78-I82 WeakPolarHBondContact O-CB 3.25Å; R78-I82 WeakPolarHBondContact O-CG1 3.47Å; R78-I82 PolarHBondContact O-N 2.68Å; R78-G175 PolarHBondContact NH2-O 2.89Å; R78-G175 VanDerWaalsContact NH2-O 3.17Å; R78-A177 WeakPolarHBondContact CD-O 3.41Å; R78-A177 PolarHBondContact NE-O 3.09Å; R78-E178 WeakPolarHBondContact CD-OE1 3.39Å; R78-E178 WeakPolarHBondContact CD-OE2 3.36Å; R78-E178 IonicContact CZ-OE2 3.91Å; R78-E178 IonicContact NE-OE2 2.74Å; R78-E178 IonicContact NH1-OE2 2.78Å; R78-E178 PolarHBondContact NH1-OE2 3.37Å
79E98.2Very high97Very high10 Ų1054.2 Ų54.25%0.04728%0.275CS..Hα-helixtrans-62.2-44-179.3-176.1170.4-179.300111.6K66 K75 I76 L83 L109 G175K66-E79 IonicContact NZ-OE1 3.69Å; K66-E79 PolarHBondContact NZ-OE1 2.92Å; K66-E79 IonicContact NZ-OE2 3.47Å; K75-E79 PolarHBondContact O-N 3.15Å; K75-E79 VanDerWaalsContact O-N 3.07Å; I76-E79 PolarHBondContact O-N 3.22Å; E79-L83 HydrophobicContact CG-CD1 4.09Å; E79-L83 WeakPolarHBondContact O-CB 3.48Å; E79-L83 WeakPolarHBondContact O-CG 3.41Å; E79-L83 PolarHBondContact O-N 2.85Å; E79-L109 HydrophobicContact CG-CD1 3.93Å; E79-L109 WeakPolarHBondContact OE1-CD1 3.44Å; E79-G175 VanDerWaalsContact OE2-CA 3.28Å; E79-G175 WeakPolarHBondContact OE2-CA 3.29Å
80I98.4Very high97.1Very high0 Ų054.9 Ų54.90%028%0.283CS..Hα-helixtrans-61.8-52.6176.5-69.1162000110.7I29 I76 K77 I82 L83 E84 V98 L109I29-I80 HydrophobicContact CD1-CD1 3.46Å; I29-I80 VanDerWaalsContact CD1-CD1 3.46Å; I29-I80 HydrophobicContact CG1-CD1 3.97Å; I29-I80 HydrophobicContact CG2-CD1 4.23Å; I76-I80 HydrophobicContact CG2-CD1 3.73Å; I76-I80 WeakPolarHBondContact O-CG1 3.05Å; I76-I80 PolarHBondContact O-N 2.92Å; K77-I80 PolarHBondContact O-N 2.99Å; I80-I82 VanDerWaalsContact C-N 3.29Å; I80-I82 PolarHBondContact O-N 2.82Å; I80-L83 PolarHBondContact O-N 2.87Å; I80-L83 VanDerWaalsContact O-N 3.07Å; I80-E84 HydrophobicContact CG2-CG 4.23Å; I80-E84 WeakPolarHBondContact O-CG 3.34Å; I80-E84 PolarHBondContact O-N 3.3Å; I80-V98 HydrophobicContact CD1-CG1 3.61Å; I80-V98 HydrophobicContact CD1-CG2 4.31Å; I80-V98 HydrophobicContact CG1-CG1 4.2Å; I80-V98 HydrophobicContact CG1-CG2 4.07Å; I80-V98 HydrophobicContact CG2-CG2 3.99Å; I80-L109 HydrophobicContact CD1-CD2 4.15Å; I80-L109 HydrophobicContact CG1-CD2 3.59Å
81K98.7Very high97.4Very high18 Ų1849.3 Ų49.38%0.07825%0.246CC..Hα-helixtrans-61.1-39.4-176.4-174.154.1170.8173.80112.1E20 Y21 K77 R78 N85 F179E20-K81 WeakPolarHBondContact O-CE 3.42Å; E20-K81 PolarHBondContact O-NZ 2.96Å; Y21-K81 VanDerWaalsContact O-CE 3.23Å; Y21-K81 WeakPolarHBondContact O-CE 3.32Å; K77-K81 VanDerWaalsContact O-CB 3.26Å; K77-K81 WeakPolarHBondContact O-CB 3.32Å; K77-K81 PolarHBondContact O-N 3.44Å; R78-K81 PolarHBondContact O-N 3.03Å; K81-N85 WeakPolarHBondContact O-CB 3.49Å; K81-N85 PolarHBondContact O-N 3.12Å; K81-N85 PolarHBondContact O-OD1 3.38Å; K81-F179 HydrophobicContact CG-CE2 4.47Å; K81-F179 HydrophobicContact CG-CZ 4.21Å
82I98.9Very high97.7Very high0 Ų047.5 Ų47.50%024%0.235CC..Hα-helixtrans-62.6-48.8173.7-76.2174.7000110.8R78 I80 E84 N85 L86 I150 W174 A177 F179R78-I82 HydrophobicContact CG-CD1 3.87Å; R78-I82 WeakPolarHBondContact O-CB 3.25Å; R78-I82 WeakPolarHBondContact O-CG1 3.47Å; R78-I82 PolarHBondContact O-N 2.68Å; I80-I82 VanDerWaalsContact C-N 3.29Å; I80-I82 PolarHBondContact O-N 2.82Å; I82-E84 VanDerWaalsContact C-N 3.32Å; I82-E84 PolarHBondContact O-N 2.8Å; I82-N85 PolarHBondContact O-N 2.95Å; I82-L86 HydrophobicContact CG2-CD1 3.73Å; I82-L86 HydrophobicContact CG2-CG 4.4Å; I82-L86 WeakPolarHBondContact O-CB 3.35Å; I82-L86 VanDerWaalsContact O-CG 3.24Å; I82-L86 WeakPolarHBondContact O-CG 3.4Å; I82-L86 PolarHBondContact O-N 3.16Å; I82-I150 HydrophobicContact CD1-CG2 4.21Å; I82-I150 HydrophobicContact CG1-CD1 4.23Å; I82-I150 HydrophobicContact CG1-CG1 4.38Å; I82-I150 HydrophobicContact CG1-CG2 4.41Å; I82-I150 HydrophobicContact CG2-CD1 4.2Å; I82-I150 HydrophobicContact CG2-CG2 3.97Å; I82-W174 HydrophobicContact CG2-CB 4.15Å; I82-W174 HydrophobicContact CG2-CD2 4.22Å; I82-W174 HydrophobicContact CG2-CE3 3.71Å; I82-W174 HydrophobicContact CG2-CG 4.42Å; I82-A177 HydrophobicContact CD1-CB 3.66Å; I82-A177 HydrophobicContact CG2-CB 4.18Å; I82-F179 HydrophobicContact CD1-CD2 4.42Å; I82-F179 HydrophobicContact CD1-CE2 4.15Å; I82-F179 HydrophobicContact CG1-CD2 4.23Å; I82-F179 HydrophobicContact CG1-CE1 4.42Å; I82-F179 HydrophobicContact CG1-CE2 3.53Å; I82-F179 HydrophobicContact CG1-CZ 3.64Å
83L98.7Very high97.9Very high4 Ų439.4 Ų39.42%0.02120%0.2CC..Hα-helixtrans-64-36.1179.7-78.8170.4000113E79 I80 R87 I93 L95 L109 W174E79-L83 HydrophobicContact CG-CD1 4.09Å; E79-L83 WeakPolarHBondContact O-CB 3.48Å; E79-L83 WeakPolarHBondContact O-CG 3.41Å; E79-L83 PolarHBondContact O-N 2.85Å; I80-L83 PolarHBondContact O-N 2.87Å; I80-L83 VanDerWaalsContact O-N 3.07Å; L83-R87 PolarHBondContact O-N 2.82Å; L83-I93 HydrophobicContact CD2-CG2 3.91Å; L83-L95 HydrophobicContact CB-CB 3.84Å; L83-L95 HydrophobicContact CB-CD2 3.73Å; L83-L95 HydrophobicContact CB-CG 4.34Å; L83-L95 HydrophobicContact CD1-CB 4.34Å; L83-L95 HydrophobicContact CD1-CD1 4.28Å; L83-L95 HydrophobicContact CD1-CD2 4.39Å; L83-L109 HydrophobicContact CD1-CD1 3.96Å; L83-W174 HydrophobicContact CD2-CB 4.21Å; L83-W174 VanDerWaalsContact CD2-CD1 3.47Å; L83-W174 HydrophobicContact CD2-CG 3.89Å; L83-W174 HydrophobicContact CG-CB 4.25Å; L83-W174 HydrophobicContact CG-CG 4.43Å
84E98.4Very high98.1Very high64 Ų6433.2 Ų33.230%0.29918%0.177SC..Hα-helixtrans-64.1-48.6172.5-72.7176.4169.500111.3H27 I80 I82 L86 R87 L95H27-E84 IonicContact CE1-OE1 3.91Å; H27-E84 IonicContact CE1-OE2 2.63Å; H27-E84 PolarHBondContact CE1-OE2 2.74Å; H27-E84 IonicContact NE2-OE1 3.8Å; H27-E84 IonicContact NE2-OE2 2.75Å; H27-E84 PolarHBondContact NE2-OE2 3.09Å; I80-E84 HydrophobicContact CG2-CG 4.23Å; I80-E84 WeakPolarHBondContact O-CG 3.34Å; I80-E84 PolarHBondContact O-N 3.3Å; I82-E84 VanDerWaalsContact C-N 3.32Å; I82-E84 PolarHBondContact O-N 2.8Å; E84-L86 PolarHBondContact O-N 3.4Å; E84-R87 VanDerWaalsContact O-CB 3.29Å; E84-R87 WeakPolarHBondContact O-CB 3.42Å; E84-R87 PolarHBondContact O-N 3.43Å; E84-L95 HydrophobicContact CG-CD2 4.18Å
85N98.6Very high98.2Very high28 Ų2828.8 Ų28.815%0.1516%0.157CC..Hα-helixtrans-64.4-26.8179.5-72.7-1.8000113.1Y21 K81 I82 I150 F179Y21-N85 HydrophobicContact CE2-CB 3.85Å; Y21-N85 VanDerWaalsContact CE2-CG 3.44Å; Y21-N85 WeakPolarHBondContact CE2-ND2 3.39Å; Y21-N85 VanDerWaalsContact CZ-ND2 3.35Å; Y21-N85 PolarHBondContact O-ND2 3.03Å; K81-N85 WeakPolarHBondContact O-CB 3.49Å; K81-N85 PolarHBondContact O-N 3.12Å; K81-N85 PolarHBondContact O-OD1 3.38Å; I82-N85 PolarHBondContact O-N 2.95Å; N85-I150 HydrophobicContact CB-CD1 4.39Å; N85-F179 WeakPolarHBondContact ND2-CE1 3.42Å; N85-F179 WeakPolarHBondContact ND2-CZ 3.46Å
86L98.7Very high98.3Very high1 Ų129.7 Ų29.71%0.00516%0.161CC..THydrogen-bonded Turntrans-97.1-1.2178.9-62.4178000113.7I82 E84 G88 G89 V92 F144 C145 Q148 I150 W174I82-L86 HydrophobicContact CG2-CD1 3.73Å; I82-L86 HydrophobicContact CG2-CG 4.4Å; I82-L86 WeakPolarHBondContact O-CB 3.35Å; I82-L86 VanDerWaalsContact O-CG 3.24Å; I82-L86 WeakPolarHBondContact O-CG 3.4Å; I82-L86 PolarHBondContact O-N 3.16Å; E84-L86 PolarHBondContact O-N 3.4Å; L86-G88 PolarHBondContact O-N 3.48Å; L86-G89 WeakPolarHBondContact O-CA 3.42Å; L86-G89 PolarHBondContact O-N 3.01Å; L86-V92 HydrophobicContact CB-CG1 3.95Å; L86-V92 HydrophobicContact CD1-CG1 4.38Å; L86-F144 HydrophobicContact CB-CE1 4.28Å; L86-F144 HydrophobicContact CD2-CD1 4.13Å; L86-F144 HydrophobicContact CD2-CE1 3.72Å; L86-C145 HydrophobicContact CD1-CB 4.05Å; L86-C145 HydrophobicContact CD2-CB 3.88Å; L86-Q148 HydrophobicContact CD2-CB 3.73Å; L86-Q148 HydrophobicContact CD2-CG 3.89Å; L86-I150 HydrophobicContact CD1-CD1 4.14Å; L86-I150 HydrophobicContact CD1-CG2 4.37Å; L86-I150 HydrophobicContact CD2-CD1 3.77Å; L86-I150 HydrophobicContact CG-CD1 3.8Å; L86-W174 HydrophobicContact CD1-CD2 3.9Å; L86-W174 HydrophobicContact CD1-CE3 3.47Å; L86-W174 VanDerWaalsContact CD1-CE3 3.47Å; L86-W174 HydrophobicContact CD1-CH2 3.46Å; L86-W174 VanDerWaalsContact CD1-CH2 3.46Å; L86-W174 HydrophobicContact CD1-CZ2 3.86Å; L86-W174 HydrophobicContact CD1-CZ3 3.24Å
87R97.9Very high98.4Very high130 Ų13030.9 Ų30.949%0.49117%0.168SC..THydrogen-bonded Turntrans-58131.7-179.2-176.6-175-80.8176.1-3.2110.4L83 E84 G89 T94 L95L83-R87 PolarHBondContact O-N 2.82Å; E84-R87 VanDerWaalsContact O-CB 3.29Å; E84-R87 WeakPolarHBondContact O-CB 3.42Å; E84-R87 PolarHBondContact O-N 3.43Å; R87-G89 PolarHBondContact O-N 2.94Å; R87-T94 HydrophobicContact CG-CG2 4.31Å; R87-L95 PolarHBondContact NE-O 2.86Å; R87-L95 PolarHBondContact NH2-O 2.96Å
88G97.2Very high98.4Very high72 Ų7228.7 Ų28.774%0.74216%0.159SC*.THydrogen-bonded Turntrans81-0.3-175.600000114.3L86L86-G88 PolarHBondContact O-N 3.48Å
89G98.3Very high98.3Very high9 Ų927.4 Ų27.49%0.09315%0.154CC..  trans-63145.317300000113.6L86 R87 N91 V92L86-G89 WeakPolarHBondContact O-CA 3.42Å; L86-G89 PolarHBondContact O-N 3.01Å; R87-G89 PolarHBondContact O-N 2.94Å; G89-N91 PolarHBondContact O-N 3.42Å; G89-V92 PolarHBondContact O-N 3.27Å
90V98.4Very high98.3Very high64 Ų6429 Ų2939%0.38816%0.161SC..THydrogen-bonded Turntrans-59.3124.6177.657.30000110.5V92 K140 A141 F144V90-V92 PolarHBondContact O-N 3.19Å; V90-K140 HydrophobicContact CG1-CB 4Å; V90-K140 WeakPolarHBondContact CG1-O 3.46Å; V90-K140 HydrophobicContact CG2-CB 3.95Å; V90-K140 HydrophobicContact CG2-CD 4.15Å; V90-A141 WeakPolarHBondContact O-CA 3.49Å; V90-F144 HydrophobicContact CG1-CB 3.77Å; V90-F144 HydrophobicContact CG1-CG 4.23Å
91N98.7Very high98.1Very high18 Ų1831.1 Ų31.110%0.09617%0.172CC..THydrogen-bonded Turntrans55.419.4178-60.5-24.3000115G89 E137 A141 L169 R170 L171G89-N91 PolarHBondContact O-N 3.42Å; N91-E137 PolarHBondContact ND2-O 3.07Å; N91-E137 PolarHBondContact ND2-OE2 2.87Å; N91-A141 HydrophobicContact CB-CB 4Å; N91-L169 HydrophobicContact CB-CD2 4.15Å; N91-L169 WeakPolarHBondContact CB-O 3.35Å; N91-L169 PolarHBondContact OD1-O 3.31Å; N91-R170 CarbonylContact O-C 3.6Å; N91-R170 WeakPolarHBondContact O-CA 3.44Å; N91-L171 PolarHBondContact O-N 3.19Å
92V98.7Very high97.8Very high3 Ų333.9 Ų33.92%0.01819%0.192CC..BIsolated β-bridgetrans-95.1137.7170.7179.60000109L86 G89 V90 T94 A141 F144 W174L86-V92 HydrophobicContact CB-CG1 3.95Å; L86-V92 HydrophobicContact CD1-CG1 4.38Å; G89-V92 PolarHBondContact O-N 3.27Å; V90-V92 PolarHBondContact O-N 3.19Å; V92-T94 PolarHBondContact O-N 3.19Å; V92-A141 HydrophobicContact CG2-CB 4.49Å; V92-F144 HydrophobicContact CG2-CD1 3.98Å; V92-F144 HydrophobicContact CG2-CE1 4.47Å; V92-W174 HydrophobicContact CB-CZ2 4.35Å; V92-W174 HydrophobicContact CG1-CZ2 3.63Å; V92-W174 HydrophobicContact CG2-CH2 4.44Å; V92-W174 HydrophobicContact CG2-CZ2 3.93Å
93I98.5Very high97.5Very high9 Ų941.4 Ų41.45%0.04623%0.23CC..  trans-59.4131.9176.2-165.671000111.7L83 L95 V111 E112 V114 R170 L171 I172L83-I93 HydrophobicContact CD2-CG2 3.91Å; I93-L95 PolarHBondContact O-N 2.72Å; I93-V111 HydrophobicContact CD1-CG2 4.47Å; I93-V111 HydrophobicContact CG1-CB 3.96Å; I93-V111 HydrophobicContact CG1-CG1 4.48Å; I93-V111 HydrophobicContact CG1-CG2 4.08Å; I93-E112 HydrophobicContact CD1-CG 3.49Å; I93-E112 VanDerWaalsContact CD1-CG 3.49Å; I93-E112 HydrophobicContact CG1-CG 4.26Å; I93-V114 HydrophobicContact CD1-CG2 3.49Å; I93-V114 VanDerWaalsContact CD1-CG2 3.49Å; I93-R170 HydrophobicContact CD1-CB 4.3Å; I93-R170 HydrophobicContact CD1-CG 4.42Å; I93-L171 PolarHBondContact N-O 3.28Å; I93-I172 HydrophobicContact CB-CG2 4Å; I93-I172 HydrophobicContact CD1-CG2 4.08Å; I93-I172 HydrophobicContact CG1-CG2 4.15Å; I93-I172 HydrophobicContact CG2-CG2 4.43Å
94T98.4Very high97.3Very high41 Ų4144.4 Ų44.425%0.25225%0.252SS..  trans-83.4114.5-179-55.50000110.9R87 V92 K96 V111 E112R87-T94 HydrophobicContact CG-CG2 4.31Å; V92-T94 PolarHBondContact O-N 3.19Å; T94-K96 PolarHBondContact O-N 2.91Å; T94-V111 CarbonylContact O-C 3.54Å; T94-V111 VanDerWaalsContact O-CA 3.25Å; T94-V111 WeakPolarHBondContact O-CA 3.36Å; T94-V111 WeakPolarHBondContact O-CB 3.17Å; T94-E112 VanDerWaalsContact CB-OE1 3.29Å; T94-E112 WeakPolarHBondContact CB-OE1 3.47Å; T94-E112 PolarHBondContact N-OE1 2.97Å; T94-E112 PolarHBondContact O-N 3.34Å; T94-E112 PolarHBondContact OG1-OE1 2.79Å
95L98.5Very high97.1Very high0 Ų048.5 Ų48.50%027%0.265CS..EExtended strand (participates in β ladder)trans-71.6116.4165.1177.570.8000109.5L83 E84 R87 I93 N97 V98 L109 V111L83-L95 HydrophobicContact CB-CB 3.84Å; L83-L95 HydrophobicContact CB-CD2 3.73Å; L83-L95 HydrophobicContact CB-CG 4.34Å; L83-L95 HydrophobicContact CD1-CB 4.34Å; L83-L95 HydrophobicContact CD1-CD1 4.28Å; L83-L95 HydrophobicContact CD1-CD2 4.39Å; E84-L95 HydrophobicContact CG-CD2 4.18Å; R87-L95 PolarHBondContact NE-O 2.86Å; R87-L95 PolarHBondContact NH2-O 2.96Å; I93-L95 PolarHBondContact O-N 2.72Å; L95-N97 WeakPolarHBondContact CD1-O 3.31Å; L95-V98 HydrophobicContact CD1-CG2 4.17Å; L95-V98 HydrophobicContact CD2-CG2 3.85Å; L95-V98 HydrophobicContact CG-CG2 4.37Å; L95-L109 HydrophobicContact CD1-CB 4Å; L95-L109 HydrophobicContact CD1-CD2 4.35Å; L95-V111 HydrophobicContact CD1-CG1 4.22Å
96K97.8Very high96.9Very high56 Ų5649.3 Ų49.324%0.24327%0.271CS..EExtended strand (participates in β ladder)trans-89.2-47.2179.2-68.6-176.9169.5-178.80112E61 V63 T94 V110E61-K96 IonicContact OE1-NZ 3.53Å; E61-K96 PolarHBondContact OE1-NZ 2.8Å; E61-K96 IonicContact OE2-NZ 2.72Å; E61-K96 PolarHBondContact OE2-NZ 3.31Å; V63-K96 HydrophobicContact CG1-CD 4.06Å; T94-K96 PolarHBondContact O-N 2.91Å; K96-V110 HydrophobicContact CB-CG1 4.49Å; K96-V110 PolarHBondContact N-O 2.96Å
97N97.9Very high96.9Very high40 Ų4050.2 Ų50.221%0.21428%0.276CS..EExtended strand (participates in β ladder)trans-150.5158.4-175.8-155.3-8.7000111.3Y37 L95 V99 V110Y37-N97 WeakPolarHBondContact OH-CB 3.25Å; Y37-N97 PolarHBondContact OH-ND2 2.72Å; L95-N97 WeakPolarHBondContact CD1-O 3.31Å; N97-V99 HydrophobicContact CB-CG1 4.49Å; N97-V110 HydrophobicContact CB-CB 4.02Å; N97-V110 HydrophobicContact CB-CG2 4.32Å; N97-V110 PolarHBondContact N-O 3.18Å; N97-V110 VanDerWaalsContact N-O 3.12Å; N97-V110 PolarHBondContact O-N 2.93Å
98V98.1Very high96.9Very high8 Ų844.1 Ų44.15%0.04825%0.254CS..EExtended strand (participates in β ladder)trans-122.8114.2172.9-177.30000107.2I29 W31 G32 I80 L95 L109I29-V98 HydrophobicContact CG2-CB 4.37Å; I29-V98 HydrophobicContact CG2-CG1 3.82Å; W31-V98 CarbonylContact C-O 3.6Å; W31-V98 WeakPolarHBondContact CA-O 3.44Å; W31-V98 HydrophobicContact CE3-CG1 3.7Å; W31-V98 HydrophobicContact CH2-CG1 4.32Å; W31-V98 HydrophobicContact CZ3-CG1 3.48Å; W31-V98 VanDerWaalsContact CZ3-CG1 3.48Å; G32-V98 PolarHBondContact N-O 2.59Å; I80-V98 HydrophobicContact CD1-CG1 3.61Å; I80-V98 HydrophobicContact CD1-CG2 4.31Å; I80-V98 HydrophobicContact CG1-CG1 4.2Å; I80-V98 HydrophobicContact CG1-CG2 4.07Å; I80-V98 HydrophobicContact CG2-CG2 3.99Å; L95-V98 HydrophobicContact CD1-CG2 4.17Å; L95-V98 HydrophobicContact CD2-CG2 3.85Å; L95-V98 HydrophobicContact CG-CG2 4.37Å; V98-L109 HydrophobicContact CG1-CD2 4.13Å; V98-L109 HydrophobicContact CG2-CD2 4.18Å
99V98Very high96.9Very high1 Ų140.8 Ų40.81%0.00622%0.219CC..EExtended strand (participates in β ladder)trans-117.2161.8-174.4-58.40000111.4I34 Y37 N97 P107 A108 V110I34-V99 HydrophobicContact CB-CB 4.18Å; I34-V99 HydrophobicContact CB-CG2 4.22Å; I34-V99 HydrophobicContact CD1-CG2 4.27Å; I34-V99 HydrophobicContact CG1-CB 4.47Å; I34-V99 HydrophobicContact CG1-CG2 3.96Å; Y37-V99 HydrophobicContact CD2-CG1 4.09Å; Y37-V99 HydrophobicContact CE2-CG1 3.63Å; N97-V99 HydrophobicContact CB-CG1 4.49Å; V99-P107 WeakPolarHBondContact O-CA 3.37Å; V99-A108 HydrophobicContact CG2-CB 3.87Å; V99-A108 PolarHBondContact N-O 3.45Å; V99-A108 PolarHBondContact O-N 2.95Å; V99-V110 HydrophobicContact CG1-CG2 4.22Å; V99-V110 HydrophobicContact CG2-CG2 4.1Å
100K96.4Very high96.9Very high44 Ų4440.3 Ų40.319%0.19122%0.215CC..EExtended strand (participates in β ladder)trans-141128.4176.8-167.7174.9-174.5177.50110.1W31 R105 T106W31-K100 HydrophobicContact CB-CB 4.44Å; W31-K100 HydrophobicContact CD2-CB 3.9Å; W31-K100 HydrophobicContact CD2-CD 4.05Å; W31-K100 HydrophobicContact CE3-CB 3.56Å; W31-K100 HydrophobicContact CE3-CD 4.25Å; W31-K100 HydrophobicContact CE3-CG 4.39Å; W31-K100 HydrophobicContact CG-CB 4.3Å; W31-K100 HydrophobicContact CZ2-CD 4.39Å; W31-K100 HydrophobicContact CZ3-CB 4.1Å; W31-K100 HydrophobicContact CZ3-CD 4.48Å; K100-R105 WeakPolarHBondContact CE-O 3.26Å; K100-T106 WeakPolarHBondContact CA-O 3.47Å
101D94.6Very high96.9Very high44 Ų4438.1 Ų38.124%0.23520%0.201CC..  trans-62.1123.6173.3180-97.3000109.9I34 I103 S104 R105 T106I34-D101 HydrophobicContact CD1-CB 3.93Å; D101-I103 VanDerWaalsContact C-N 3.27Å; D101-I103 PolarHBondContact O-N 2.67Å; D101-I103 PolarHBondContact OD1-N 3.41Å; D101-S104 VanDerWaalsContact CB-OG 3.31Å; D101-S104 WeakPolarHBondContact CB-OG 3.28Å; D101-S104 WeakPolarHBondContact OD1-CA 3.17Å; D101-S104 VanDerWaalsContact OD1-CB 3.25Å; D101-S104 WeakPolarHBondContact OD1-CB 3.38Å; D101-S104 PolarHBondContact OD1-N 3.38Å; D101-S104 PolarHBondContact OD1-OG 2.57Å; D101-R105 WeakPolarHBondContact O-CA 3.47Å; D101-R105 PolarHBondContact O-N 3.13Å; D101-T106 PolarHBondContact N-O 2.85Å
102P92.3Very high96.9Very high76 Ų7638.9 Ų38.949%0.49420%0.204SC..THydrogen-bonded Turntrans-67.8-27.8-173.123.7-31.8000112.7R105P102-R105 WeakPolarHBondContact O-CD 3.5Å
103I93.8Very high96.8Very high157 Ų15742.5 Ų42.581%0.80522%0.218SC*.THydrogen-bonded Turntrans-86.4-64.9-174.1-57.9175.7000110.7D101 R105D101-I103 VanDerWaalsContact C-N 3.27Å; D101-I103 PolarHBondContact O-N 2.67Å; D101-I103 PolarHBondContact OD1-N 3.41Å; I103-R105 VanDerWaalsContact C-N 3.26Å; I103-R105 PolarHBondContact O-N 3.03Å
104S93.8Very high96.7Very high68 Ų6843.3 Ų43.348%0.47622%0.223SC..THydrogen-bonded Turntrans-73.1-16.5-179.968.40000113.3D101 T106D101-S104 VanDerWaalsContact CB-OG 3.31Å; D101-S104 WeakPolarHBondContact CB-OG 3.28Å; D101-S104 WeakPolarHBondContact OD1-CA 3.17Å; D101-S104 VanDerWaalsContact OD1-CB 3.25Å; D101-S104 WeakPolarHBondContact OD1-CB 3.38Å; D101-S104 PolarHBondContact OD1-N 3.38Å; D101-S104 PolarHBondContact OD1-OG 2.57Å; S104-T106 WeakPolarHBondContact CB-OG1 3.09Å; S104-T106 PolarHBondContact O-N 3.34Å; S104-T106 WeakPolarHBondContact OG-CB 3.13Å; S104-T106 PolarHBondContact OG-N 3.1Å; S104-T106 PolarHBondContact OG-OG1 3.4Å
105R94.1Very high96.4Very high150 Ų15044.7 Ų44.757%0.56623%0.229SC*.  trans62.319.9-175.2-52.9-67.3-71167.2-3.3112.9K100 D101 P102 I103K100-R105 WeakPolarHBondContact CE-O 3.26Å; D101-R105 WeakPolarHBondContact O-CA 3.47Å; D101-R105 PolarHBondContact O-N 3.13Å; P102-R105 WeakPolarHBondContact O-CD 3.5Å; I103-R105 VanDerWaalsContact C-N 3.26Å; I103-R105 PolarHBondContact O-N 3.03Å
106T95.3Very high96.2Very high45 Ų4547.5 Ų47.528%0.27624%0.244SC..  trans-75.9123.5179.3-50.20000110.5I67 L68 K100 D101 S104I67-T106 HydrophobicContact CG2-CG2 3.63Å; L68-T106 WeakPolarHBondContact O-CG2 3.43Å; K100-T106 WeakPolarHBondContact CA-O 3.47Å; D101-T106 PolarHBondContact N-O 2.85Å; S104-T106 WeakPolarHBondContact CB-OG1 3.09Å; S104-T106 PolarHBondContact O-N 3.34Å; S104-T106 WeakPolarHBondContact OG-CB 3.13Å; S104-T106 PolarHBondContact OG-N 3.1Å; S104-T106 PolarHBondContact OG-OG1 3.4Å
107P97.2Very high95.9Very high19 Ų1946.5 Ų46.512%0.12325%0.246CC..EExtended strand (participates in β ladder)trans-81.4146.8176.128.7-25.3000111.7W31 L68 I76 V99W31-P107 HydrophobicContact CH2-CB 3.67Å; W31-P107 HydrophobicContact CZ3-CB 3.55Å; L68-P107 HydrophobicContact CB-CG 4.23Å; L68-P107 WeakPolarHBondContact CB-O 3.3Å; L68-P107 HydrophobicContact CD1-CB 4.42Å; L68-P107 HydrophobicContact CD1-CG 4.31Å; L68-P107 PolarHBondContact N-O 2.82Å; I76-P107 HydrophobicContact CD1-CG 3.76Å; V99-P107 WeakPolarHBondContact O-CA 3.37Å
108A98Very high95.6Very high2 Ų248.8 Ų48.82%0.01726%0.259CS..EExtended strand (participates in β ladder)trans-137148.4172.300000111.1I65 K66 I67 V99I65-A108 HydrophobicContact CG2-CB 4.02Å; K66-A108 CarbonylContact O-C 3.59Å; K66-A108 VanDerWaalsContact O-CA 3.26Å; K66-A108 WeakPolarHBondContact O-CA 3.34Å; I67-A108 HydrophobicContact CG1-CB 4.16Å; V99-A108 HydrophobicContact CG2-CB 3.87Å; V99-A108 PolarHBondContact N-O 3.45Å; V99-A108 PolarHBondContact O-N 2.95Å
109L98.3Very high95.3Very high2 Ų249.2 Ų49.21%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-101.7129173.1-51.2179.9000108.3K66 L68 E79 I80 L83 L95 V98K66-L109 HydrophobicContact CB-CB 4.37Å; K66-L109 PolarHBondContact N-O 2.92Å; K66-L109 PolarHBondContact O-N 2.81Å; L68-L109 HydrophobicContact CD1-CD2 4.4Å; L68-L109 HydrophobicContact CD1-CG 4.21Å; L68-L109 HydrophobicContact CD2-CD1 4.37Å; L68-L109 HydrophobicContact CD2-CG 4.44Å; L68-L109 HydrophobicContact CG-CG 4.47Å; E79-L109 HydrophobicContact CG-CD1 3.93Å; E79-L109 WeakPolarHBondContact OE1-CD1 3.44Å; I80-L109 HydrophobicContact CD1-CD2 4.15Å; I80-L109 HydrophobicContact CG1-CD2 3.59Å; L83-L109 HydrophobicContact CD1-CD1 3.96Å; L95-L109 HydrophobicContact CD1-CB 4Å; L95-L109 HydrophobicContact CD1-CD2 4.35Å; V98-L109 HydrophobicContact CG1-CD2 4.13Å; V98-L109 HydrophobicContact CG2-CD2 4.18Å
110V98.5Very high95Very high0 Ų054.9 Ų54.90%028%0.284CS..EExtended strand (participates in β ladder)trans-102.6120173.3-175.40000107.9Y37 V63 V64 K96 N97 V99Y37-V110 HydrophobicContact CD1-CG1 4.13Å; Y37-V110 HydrophobicContact CD1-CG2 4.36Å; Y37-V110 HydrophobicContact CD2-CG2 4.18Å; Y37-V110 HydrophobicContact CE1-CB 4.4Å; Y37-V110 HydrophobicContact CE1-CG1 3.61Å; Y37-V110 HydrophobicContact CE1-CG2 4.13Å; Y37-V110 HydrophobicContact CE2-CG2 3.95Å; Y37-V110 HydrophobicContact CG-CG2 4.39Å; V63-V110 HydrophobicContact CB-CG1 3.77Å; V63-V110 HydrophobicContact CG1-CG1 3.93Å; V63-V110 HydrophobicContact CG2-CG1 3.99Å; V64-V110 WeakPolarHBondContact O-CA 3.45Å; K96-V110 HydrophobicContact CB-CG1 4.49Å; K96-V110 PolarHBondContact N-O 2.96Å; N97-V110 HydrophobicContact CB-CB 4.02Å; N97-V110 HydrophobicContact CB-CG2 4.32Å; N97-V110 PolarHBondContact N-O 3.18Å; N97-V110 VanDerWaalsContact N-O 3.12Å; N97-V110 PolarHBondContact O-N 2.93Å; V99-V110 HydrophobicContact CG1-CG2 4.22Å; V99-V110 HydrophobicContact CG2-CG2 4.1Å
111V98.4Very high94.8Very high18 Ų1857.5 Ų57.511%0.10930%0.304CS..EExtended strand (participates in β ladder)trans-122164.7-178.3-55.50000110.8V64 I93 T94 L95V64-V111 HydrophobicContact CB-CG2 3.72Å; V64-V111 HydrophobicContact CG1-CG2 4.06Å; V64-V111 PolarHBondContact N-O 3.43Å; V64-V111 PolarHBondContact O-N 2.87Å; I93-V111 HydrophobicContact CD1-CG2 4.47Å; I93-V111 HydrophobicContact CG1-CB 3.96Å; I93-V111 HydrophobicContact CG1-CG1 4.48Å; I93-V111 HydrophobicContact CG1-CG2 4.08Å; T94-V111 CarbonylContact O-C 3.54Å; T94-V111 VanDerWaalsContact O-CA 3.25Å; T94-V111 WeakPolarHBondContact O-CA 3.36Å; T94-V111 WeakPolarHBondContact O-CB 3.17Å; L95-V111 HydrophobicContact CD1-CG1 4.22Å
112E97.6Very high94.9Very high33 Ų3355.8 Ų55.815%0.15430%0.295CS..EExtended strand (participates in β ladder)trans-54.3142.8171.869.4-177.8132.900111.6I93 T94 V114 R170I93-E112 HydrophobicContact CD1-CG 3.49Å; I93-E112 VanDerWaalsContact CD1-CG 3.49Å; I93-E112 HydrophobicContact CG1-CG 4.26Å; T94-E112 VanDerWaalsContact CB-OE1 3.29Å; T94-E112 WeakPolarHBondContact CB-OE1 3.47Å; T94-E112 PolarHBondContact N-OE1 2.97Å; T94-E112 PolarHBondContact O-N 3.34Å; T94-E112 PolarHBondContact OG1-OE1 2.79Å; E112-V114 HydrophobicContact CG-CG2 4.01Å; E112-R170 IonicContact OE1-NE 3.22Å; E112-R170 PolarHBondContact OE1-NE 3Å; E112-R170 VanDerWaalsContact OE1-NE 3.16Å; E112-R170 IonicContact OE2-NE 3.63Å; E112-R170 IonicContact OE2-NH2 2.78Å
113Y97.7Very high94.9Very high79 Ų7952.6 Ų52.631%0.3127%0.273SS..  trans-73.6135.7169179.3-88.2000109.7E53 H62 V64 N115E53-Y113 HydrophobicContact CG-CD2 4.19Å; E53-Y113 HydrophobicContact CG-CE2 3.98Å; H62-Y113 HydrophobicContact CB-CD2 4.41Å; H62-Y113 HydrophobicContact CB-CG 4.09Å; H62-Y113 WeakPolarHBondContact O-CB 3.33Å; V64-Y113 HydrophobicContact CG2-CD2 4Å; Y113-N115 HydrophobicContact CE1-CB 4.32Å
114V95.5Very high94.8Very high27 Ų2749 Ų4916%0.16425%0.253CS..  trans-129.6121.2176.7-175.60000106.9I93 E112 M161 R170I93-V114 HydrophobicContact CD1-CG2 3.49Å; I93-V114 VanDerWaalsContact CD1-CG2 3.49Å; E112-V114 HydrophobicContact CG-CG2 4.01Å; V114-M161 HydrophobicContact CB-CB 4.48Å; V114-M161 HydrophobicContact CG1-CB 3.89Å; V114-R170 HydrophobicContact CG1-CB 4.41Å; V114-R170 HydrophobicContact CG1-CG 4.18Å; V114-R170 HydrophobicContact CG2-CB 4.24Å; V114-R170 HydrophobicContact CG2-CG 3.81Å
115N93.1Very high94.9Very high70 Ų7050.1 Ų50.137%0.37426%0.257SS..  trans-64.5137.1169.3-17326.4000108.6Y113 D163Y113-N115 HydrophobicContact CE1-CB 4.32Å; N115-D163 HydrophobicContact CB-CB 4.41Å; N115-D163 WeakPolarHBondContact O-CA 3.34Å; N115-D163 WeakPolarHBondContact O-CB 3.42Å; N115-D163 PolarHBondContact O-N 2.86Å
116N93.4Very high95Very high58 Ų5843 Ų4331%0.3123%0.23SC..  trans-139.1122.3-173.2179.667.6000112.1M161 I162N116-M161 HydrophobicContact CB-CB 4.45Å; N116-M161 HydrophobicContact CB-SD 3.56Å; N116-M161 VanDerWaalsContact CB-SD 3.56Å; N116-M161 VanDerWaalsContact OD1-CA 3.22Å; N116-M161 WeakPolarHBondContact OD1-CA 3.41Å; N116-I162 WeakPolarHBondContact CA-O 3.43Å; N116-I162 PolarHBondContact OD1-N 3.42Å
117A92.2Very high95.2Very high35 Ų3543.3 Ų43.329%0.28923%0.234SC..  trans-74.8137.8165.200000110.4F119 L122 I162A117-F119 PolarHBondContact O-N 2.83Å; A117-F119 VanDerWaalsContact O-N 3.11Å; A117-L122 HydrophobicContact CB-CB 4.1Å; A117-L122 HydrophobicContact CB-CD1 4.48Å; A117-L122 HydrophobicContact CB-CD2 4.12Å; A117-L122 HydrophobicContact CB-CG 4.45Å; A117-I162 PolarHBondContact N-O 2.84Å
118D91.2Very high95.2Very high89 Ų8944.4 Ų44.448%0.47624%0.239SC..  trans-60.4119.1173.5-173.1-33.2000109.1K120 V121 L122D118-K120 PolarHBondContact O-N 2.87Å; D118-K120 VanDerWaalsContact O-N 3.13Å; D118-K120 WeakPolarHBondContact OD1-CB 3.35Å; D118-K120 PolarHBondContact OD1-N 2.85Å; D118-V121 HydrophobicContact CB-CG2 4.42Å; D118-V121 PolarHBondContact O-N 2.93Å; D118-L122 PolarHBondContact O-N 3.03Å
119F91.8Very high95.2Very high16 Ų1647.7 Ų47.77%0.0725%0.251CS..Hα-helixtrans-59.5-27.6-17681.6-87.3000112.5A117 V121 Y123 P157 H158 E228A117-F119 PolarHBondContact O-N 2.83Å; A117-F119 VanDerWaalsContact O-N 3.11Å; F119-V121 VanDerWaalsContact C-N 3.25Å; F119-V121 PolarHBondContact O-N 3.36Å; F119-Y123 HydrophobicContact CB-CD1 4.11Å; F119-Y123 HydrophobicContact CB-CE1 4.01Å; F119-Y123 HydrophobicContact CB-CG 4.49Å; F119-Y123 HydrophobicContact CD2-CD2 4.27Å; F119-Y123 HydrophobicContact CD2-CE2 4.41Å; F119-Y123 WeakPolarHBondContact O-CB 3.42Å; F119-Y123 PolarHBondContact O-N 3.33Å; F119-P157 HydrophobicContact CB-CB 4.14Å; F119-P157 HydrophobicContact CD1-CB 4.13Å; F119-P157 HydrophobicContact CD2-CB 3.18Å; F119-P157 HydrophobicContact CD2-CG 4.07Å; F119-P157 HydrophobicContact CE1-CB 4.4Å; F119-P157 HydrophobicContact CE2-CB 3.49Å; F119-P157 VanDerWaalsContact CE2-CB 3.49Å; F119-P157 HydrophobicContact CE2-CG 4.09Å; F119-P157 HydrophobicContact CG-CB 3.53Å; F119-P157 HydrophobicContact CZ-CB 4.12Å; F119-H158 AromaticContact CE1-CD2 3.8Å; F119-H158 AromaticContact CE1-CE1 3.27Å; F119-H158 WeakPolarHBondContact CE1-CE1 3.35Å; F119-H158 AromaticContact CE1-CG 3.72Å; F119-H158 AromaticContact CE1-ND1 3.38Å; F119-H158 WeakPolarHBondContact CE1-ND1 3.49Å; F119-H158 AromaticContact CE1-NE2 3.55Å; F119-H158 AromaticContact CZ-CE1 3.25Å; F119-H158 WeakPolarHBondContact CZ-CE1 3.25Å; F119-H158 AromaticContact CZ-ND1 3.49Å; F119-H158 WeakPolarHBondContact CZ-ND1 3.5Å; F119-H158 AromaticContact CZ-NE2 3.94Å; F119-E228 WeakPolarHBondContact CE2-OE1 3.43Å
120K91.4Very high95.2Very high120 Ų12050.1 Ų50.152%0.52226%0.263SS..Hα-helixtrans-65.8-31.3176.9-67.7-177.4175.9179.20112.5D118 Q124D118-K120 PolarHBondContact O-N 2.87Å; D118-K120 VanDerWaalsContact O-N 3.13Å; D118-K120 WeakPolarHBondContact OD1-CB 3.35Å; D118-K120 PolarHBondContact OD1-N 2.85Å; K120-Q124 WeakPolarHBondContact O-CG 3.46Å
121V93.6Very high95.2Very high100 Ų10050.1 Ų50.161%0.60626%0.263SS*.Hα-helixtrans-85.4-54174.8-178.40000108.8D118 F119 Y123 Q124D118-V121 HydrophobicContact CB-CG2 4.42Å; D118-V121 PolarHBondContact O-N 2.93Å; F119-V121 VanDerWaalsContact C-N 3.25Å; F119-V121 PolarHBondContact O-N 3.36Å; V121-Y123 PolarHBondContact O-N 3.12Å; V121-Q124 PolarHBondContact O-N 3.33Å
122L95Very high95.2Very high7 Ų750.3 Ų50.34%0.03726%0.261CS..Hα-helixtrans-58.1-49-173.917965.8000111.8A117 D118 Q124 T125 L126 I162 H164A117-L122 HydrophobicContact CB-CB 4.1Å; A117-L122 HydrophobicContact CB-CD1 4.48Å; A117-L122 HydrophobicContact CB-CD2 4.12Å; A117-L122 HydrophobicContact CB-CG 4.45Å; D118-L122 PolarHBondContact O-N 3.03Å; L122-Q124 PolarHBondContact O-N 2.99Å; L122-Q124 VanDerWaalsContact O-N 3.13Å; L122-T125 PolarHBondContact O-N 3.25Å; L122-T125 PolarHBondContact O-OG1 2.78Å; L122-L126 HydrophobicContact CD1-CD2 3.69Å; L122-L126 HydrophobicContact CG-CD2 3.89Å; L122-L126 HydrophobicContact CG-CG 4.31Å; L122-L126 WeakPolarHBondContact O-CG 3.47Å; L122-L126 PolarHBondContact O-N 2.86Å; L122-L126 VanDerWaalsContact O-N 3.15Å; L122-I162 HydrophobicContact CD2-CB 3.78Å; L122-I162 HydrophobicContact CD2-CD1 3.89Å; L122-I162 HydrophobicContact CD2-CG1 4.43Å; L122-I162 HydrophobicContact CD2-CG2 3.61Å; L122-H164 HydrophobicContact CD1-CB 3.87Å
123Y93.2Very high95.3Very high9 Ų950.8 Ų50.84%0.03526%0.262CS..Hα-helixtrans-61.4-32.6-173-7816.2000111.1F119 V121 T125 L126 P157 I162 M219 M223 R226F119-Y123 HydrophobicContact CB-CD1 4.11Å; F119-Y123 HydrophobicContact CB-CE1 4.01Å; F119-Y123 HydrophobicContact CB-CG 4.49Å; F119-Y123 HydrophobicContact CD2-CD2 4.27Å; F119-Y123 HydrophobicContact CD2-CE2 4.41Å; F119-Y123 WeakPolarHBondContact O-CB 3.42Å; F119-Y123 PolarHBondContact O-N 3.33Å; V121-Y123 PolarHBondContact O-N 3.12Å; Y123-T125 VanDerWaalsContact C-N 3.29Å; Y123-T125 PolarHBondContact O-N 2.88Å; Y123-L126 HydrophobicContact CD1-CD1 4.13Å; Y123-P157 HydrophobicContact CE2-CB 3.77Å; Y123-P157 HydrophobicContact CE2-CG 3.83Å; Y123-I162 HydrophobicContact CE1-CD1 4.03Å; Y123-M219 HydrophobicContact CE2-CE 4.27Å; Y123-M219 WeakPolarHBondContact OH-CE 3.4Å; Y123-M223 HydrophobicContact CD1-SD 4.41Å; Y123-M223 HydrophobicContact CD2-CG 3.5Å; Y123-M223 HydrophobicContact CD2-SD 3.87Å; Y123-M223 HydrophobicContact CE1-SD 4.31Å; Y123-M223 HydrophobicContact CE2-CE 4.36Å; Y123-M223 HydrophobicContact CE2-CG 3.84Å; Y123-M223 HydrophobicContact CE2-SD 3.74Å; Y123-M223 HydrophobicContact CG-CG 4.04Å; Y123-M223 HydrophobicContact CG-SD 4.21Å; Y123-R226 PolarHBondContact O-NH1 3.36Å
124Q91.8Very high95.3Very high83 Ų8347.6 Ų47.639%0.38825%0.25SC..Hα-helixtrans-72-18177.6-60.8-60.1-24.900113.9K120 V121 L122 R226K120-Q124 WeakPolarHBondContact O-CG 3.46Å; V121-Q124 PolarHBondContact O-N 3.33Å; L122-Q124 PolarHBondContact O-N 2.99Å; L122-Q124 VanDerWaalsContact O-N 3.13Å; Q124-R226 PolarHBondContact O-NH1 3.24Å; Q124-R226 PolarHBondContact O-NH2 2.89Å; Q124-R226 VanDerWaalsContact O-NH2 3.1Å
125T95.4Very high95.5Very high91 Ų9146.4 Ų46.456%0.55824%0.242SC*.Hα-helixtrans-102.6-15-179.363.60000113.6L122 Y123 S127L122-T125 PolarHBondContact O-N 3.25Å; L122-T125 PolarHBondContact O-OG1 2.78Å; Y123-T125 VanDerWaalsContact C-N 3.29Å; Y123-T125 PolarHBondContact O-N 2.88Å; T125-S127 PolarHBondContact O-N 2.82Å
126L97.3Very high95.7Very high1 Ų144.4 Ų44.41%0.00523%0.23CC..  trans-60.1135.3179.8-62-178.1000111.7L122 Y123 E130 I131 Y134 M223 R226L122-L126 HydrophobicContact CD1-CD2 3.69Å; L122-L126 HydrophobicContact CG-CD2 3.89Å; L122-L126 HydrophobicContact CG-CG 4.31Å; L122-L126 WeakPolarHBondContact O-CG 3.47Å; L122-L126 PolarHBondContact O-N 2.86Å; L122-L126 VanDerWaalsContact O-N 3.15Å; Y123-L126 HydrophobicContact CD1-CD1 4.13Å; L126-E130 HydrophobicContact CB-CB 4.23Å; L126-E130 HydrophobicContact CD2-CB 3.89Å; L126-I131 HydrophobicContact CB-CD1 4.5Å; L126-I131 HydrophobicContact CB-CG1 3.79Å; L126-I131 HydrophobicContact CD1-CG1 4.09Å; L126-Y134 HydrophobicContact CD1-CD2 4.05Å; L126-Y134 HydrophobicContact CD2-CD2 4.08Å; L126-Y134 HydrophobicContact CD2-CE2 3.82Å; L126-M223 HydrophobicContact CD1-SD 4.33Å; L126-R226 PolarHBondContact O-NH2 2.98Å
127S97.8Very high96Very high51 Ų5142.3 Ų42.336%0.35722%0.218SC..  trans-74.3165.616465.20000111.7T125 Y129 E130 I131T125-S127 PolarHBondContact O-N 2.82Å; S127-Y129 VanDerWaalsContact C-N 3.29Å; S127-Y129 PolarHBondContact O-N 3.43Å; S127-E130 WeakPolarHBondContact CB-OE2 3.13Å; S127-E130 PolarHBondContact N-OE2 2.77Å; S127-E130 PolarHBondContact O-N 2.78Å; S127-E130 VanDerWaalsContact O-N 3.12Å; S127-E130 VanDerWaalsContact OG-CD 3.24Å; S127-E130 VanDerWaalsContact OG-CG 3.32Å; S127-E130 WeakPolarHBondContact OG-CG 3.33Å; S127-E130 PolarHBondContact OG-N 3.14Å; S127-E130 PolarHBondContact OG-OE2 3.21Å; S127-I131 WeakPolarHBondContact O-CG1 3.27Å; S127-I131 PolarHBondContact O-N 2.91Å
128D98.3Very high96.3Very high42 Ų4240.8 Ų40.823%0.22521%0.205CC..Hα-helixtrans-52.5-46.7174.1174.236.6000112E130 I131 R132 L290D128-E130 VanDerWaalsContact C-N 3.32Å; D128-E130 PolarHBondContact O-N 3.21Å; D128-I131 PolarHBondContact O-N 3.33Å; D128-R132 VanDerWaalsContact CG-NE 3.3Å; D128-R132 WeakPolarHBondContact O-CG 3.49Å; D128-R132 PolarHBondContact O-N 2.92Å; D128-R132 IonicContact OD1-CZ 3.64Å; D128-R132 IonicContact OD1-NE 3.72Å; D128-R132 PolarHBondContact OD1-NE 3.01Å; D128-R132 IonicContact OD1-NH2 3.64Å; D128-R132 PolarHBondContact OD1-NH2 3.28Å; D128-R132 IonicContact OD2-CZ 2.9Å; D128-R132 IonicContact OD2-NE 2.65Å; D128-R132 PolarHBondContact OD2-NE 3.23Å; D128-R132 VanDerWaalsContact OD2-NE 3.1Å; D128-R132 IonicContact OD2-NH2 3.6Å; D128-R132 PolarHBondContact OD2-NH2 3.4Å; D128-L290 HydrophobicContact CB-CD2 4.35Å
129Y98.4Very high96.7Very high71 Ų7136.5 Ų36.528%0.27818%0.182SC..Hα-helixtrans-61.5-40.5179-177.9-87.3000112.1S127 R132 Y133 P324 V325 K328S127-Y129 VanDerWaalsContact C-N 3.29Å; S127-Y129 PolarHBondContact O-N 3.43Å; Y129-R132 WeakPolarHBondContact O-CB 3.29Å; Y129-R132 PolarHBondContact O-N 3.37Å; Y129-Y133 WeakPolarHBondContact O-CB 3.42Å; Y129-Y133 PolarHBondContact O-N 2.94Å; Y129-P324 HydrophobicContact CD2-CB 4.47Å; Y129-P324 HydrophobicContact CE2-CB 4.35Å; Y129-V325 HydrophobicContact CE2-CG2 4.19Å; Y129-K328 HydrophobicContact CE1-CD 4.33Å; Y129-K328 HydrophobicContact CE2-CD 4.26Å; Y129-K328 WeakPolarHBondContact OH-CD 3.34Å
130E98.1Very high97Very high53 Ų5337.1 Ų37.125%0.24819%0.185CC..Hα-helixtrans-72.3-35.3-179.1-66.6160.5139.900112.2L126 S127 D128 Y133 Y134 H164L126-E130 HydrophobicContact CB-CB 4.23Å; L126-E130 HydrophobicContact CD2-CB 3.89Å; S127-E130 WeakPolarHBondContact CB-OE2 3.13Å; S127-E130 PolarHBondContact N-OE2 2.77Å; S127-E130 PolarHBondContact O-N 2.78Å; S127-E130 VanDerWaalsContact O-N 3.12Å; S127-E130 VanDerWaalsContact OG-CD 3.24Å; S127-E130 VanDerWaalsContact OG-CG 3.32Å; S127-E130 WeakPolarHBondContact OG-CG 3.33Å; S127-E130 PolarHBondContact OG-N 3.14Å; S127-E130 PolarHBondContact OG-OE2 3.21Å; D128-E130 VanDerWaalsContact C-N 3.32Å; D128-E130 PolarHBondContact O-N 3.21Å; E130-Y133 PolarHBondContact O-N 3.13Å; E130-Y134 HydrophobicContact CB-CD2 4.44Å; E130-Y134 HydrophobicContact CB-CE2 4.33Å; E130-Y134 WeakPolarHBondContact O-CD2 3.46Å; E130-Y134 PolarHBondContact O-N 3.18Å; E130-H164 IonicContact OE1-CE1 2.59Å; E130-H164 PolarHBondContact OE1-CE1 3.26Å; E130-H164 IonicContact OE1-NE2 2.72Å
131I98.5Very high97.4Very high0 Ų031.4 Ų31.40%016%0.16CC..Hα-helixtrans-59.5-49.7170.7-65.2170.3000109.6L126 S127 D128 Y133 Y134 I135 L220 M223 I224 L290L126-I131 HydrophobicContact CB-CD1 4.5Å; L126-I131 HydrophobicContact CB-CG1 3.79Å; L126-I131 HydrophobicContact CD1-CG1 4.09Å; S127-I131 WeakPolarHBondContact O-CG1 3.27Å; S127-I131 PolarHBondContact O-N 2.91Å; D128-I131 PolarHBondContact O-N 3.33Å; I131-Y133 VanDerWaalsContact C-N 3.28Å; I131-Y133 PolarHBondContact O-N 3.06Å; I131-Y134 PolarHBondContact O-N 2.93Å; I131-I135 HydrophobicContact CG2-CG1 4.33Å; I131-I135 WeakPolarHBondContact O-CB 3.44Å; I131-I135 VanDerWaalsContact O-CG1 3.24Å; I131-I135 WeakPolarHBondContact O-CG1 3.49Å; I131-I135 PolarHBondContact O-N 3.24Å; I131-L220 HydrophobicContact CG2-CD1 3.89Å; I131-M223 HydrophobicContact CD1-CB 4.06Å; I131-M223 HydrophobicContact CG1-CB 4.29Å; I131-M223 HydrophobicContact CG2-CB 4.13Å; I131-M223 HydrophobicContact CG2-CE 4.48Å; I131-M223 HydrophobicContact CG2-SD 4.24Å; I131-I224 HydrophobicContact CD1-CG2 4.45Å; I131-I224 HydrophobicContact CG2-CG2 4.15Å; I131-L290 HydrophobicContact CD1-CB 4.41Å; I131-L290 HydrophobicContact CD1-CD1 4.11Å; I131-L290 HydrophobicContact CD1-CD2 3.98Å; I131-L290 HydrophobicContact CD1-CG 4.39Å
132R98.7Very high97.6Very high21 Ų2126.7 Ų26.78%0.07913%0.131CC..Hα-helixtrans-56.5-45.1175.6-67.3170.4-166.1-12511111.1D128 Y129 Y136 S292 Y321 L322 V325D128-R132 VanDerWaalsContact CG-NE 3.3Å; D128-R132 WeakPolarHBondContact O-CG 3.49Å; D128-R132 PolarHBondContact O-N 2.92Å; D128-R132 IonicContact OD1-CZ 3.64Å; D128-R132 IonicContact OD1-NE 3.72Å; D128-R132 PolarHBondContact OD1-NE 3.01Å; D128-R132 IonicContact OD1-NH2 3.64Å; D128-R132 PolarHBondContact OD1-NH2 3.28Å; D128-R132 IonicContact OD2-CZ 2.9Å; D128-R132 IonicContact OD2-NE 2.65Å; D128-R132 PolarHBondContact OD2-NE 3.23Å; D128-R132 VanDerWaalsContact OD2-NE 3.1Å; D128-R132 IonicContact OD2-NH2 3.6Å; D128-R132 PolarHBondContact OD2-NH2 3.4Å; Y129-R132 WeakPolarHBondContact O-CB 3.29Å; Y129-R132 PolarHBondContact O-N 3.37Å; R132-Y136 WeakPolarHBondContact O-CB 3.22Å; R132-Y136 PolarHBondContact O-N 2.78Å; R132-S292 PolarHBondContact NH2-OG 2.94Å; R132-Y321 WeakPolarHBondContact CD-O 3.39Å; R132-Y321 HydrophobicContact CG-CD1 4.3Å; R132-Y321 HydrophobicContact CG-CD2 4.13Å; R132-Y321 HydrophobicContact CG-CE1 3.76Å; R132-Y321 HydrophobicContact CG-CE2 3.54Å; R132-Y321 HydrophobicContact CG-CG 4.47Å; R132-Y321 PolarHBondContact NH1-O 2.74Å; R132-L322 HydrophobicContact CB-CD2 4.06Å; R132-L322 HydrophobicContact CG-CD2 4.47Å; R132-L322 WeakPolarHBondContact O-CD2 3.43Å; R132-V325 HydrophobicContact CB-CG2 3.66Å
133Y98.5Very high97.8Very high44 Ų4427.7 Ų27.717%0.17314%0.136CC..Hα-helixtrans-60.8-53.5-179.1179.1-106.9000111.7Y129 E130 I131 I135 Y136 E137 G167 V325Y129-Y133 WeakPolarHBondContact O-CB 3.42Å; Y129-Y133 PolarHBondContact O-N 2.94Å; E130-Y133 PolarHBondContact O-N 3.13Å; I131-Y133 VanDerWaalsContact C-N 3.28Å; I131-Y133 PolarHBondContact O-N 3.06Å; Y133-I135 PolarHBondContact O-N 2.87Å; Y133-Y136 WeakPolarHBondContact O-CB 3.25Å; Y133-Y136 PolarHBondContact O-N 3.47Å; Y133-Y136 VanDerWaalsContact O-N 3.14Å; Y133-E137 HydrophobicContact CD1-CG 4.44Å; Y133-E137 HydrophobicContact CD2-CG 4.44Å; Y133-E137 HydrophobicContact CE1-CG 3.97Å; Y133-E137 HydrophobicContact CE2-CG 3.94Å; Y133-E137 WeakPolarHBondContact O-CG 2.94Å; Y133-E137 PolarHBondContact O-N 2.93Å; Y133-G167 WeakPolarHBondContact CE1-O 3.4Å; Y133-G167 PolarHBondContact OH-O 3.12Å; Y133-V325 HydrophobicContact CD2-CG1 3.88Å
134Y98.6Very high98.1Very high12 Ų1229.5 Ų29.55%0.04715%0.145CC..Hα-helixtrans-70-30.9-178.5-69.4-56.5000113.4L126 E130 I131 E137 L138 I162 H164 L169L126-Y134 HydrophobicContact CD1-CD2 4.05Å; L126-Y134 HydrophobicContact CD2-CD2 4.08Å; L126-Y134 HydrophobicContact CD2-CE2 3.82Å; E130-Y134 HydrophobicContact CB-CD2 4.44Å; E130-Y134 HydrophobicContact CB-CE2 4.33Å; E130-Y134 WeakPolarHBondContact O-CD2 3.46Å; E130-Y134 PolarHBondContact O-N 3.18Å; I131-Y134 PolarHBondContact O-N 2.93Å; Y134-E137 PolarHBondContact O-N 3.37Å; Y134-L138 WeakPolarHBondContact O-CB 3.45Å; Y134-L138 PolarHBondContact O-N 3.48Å; Y134-I162 HydrophobicContact CD1-CD1 3.97Å; Y134-I162 HydrophobicContact CD1-CG1 4.22Å; Y134-I162 HydrophobicContact CD1-CG2 4.09Å; Y134-I162 HydrophobicContact CD2-CD1 4.2Å; Y134-I162 HydrophobicContact CE1-CD1 4.37Å; Y134-I162 HydrophobicContact CE1-CG1 4.37Å; Y134-I162 HydrophobicContact CE1-CG2 3.41Å; Y134-I162 VanDerWaalsContact CE1-CG2 3.41Å; Y134-I162 HydrophobicContact CE2-CG2 4.08Å; Y134-I162 HydrophobicContact CG-CD1 3.88Å; Y134-I162 VanDerWaalsContact CZ-CG2 3.41Å; Y134-H164 AromaticContact CE2-ND1 3.73Å; Y134-H164 AromaticContact CZ-ND1 3.72Å; Y134-H164 WeakPolarHBondContact OH-CA 3.34Å; Y134-H164 PolarHBondContact OH-ND1 2.94Å; Y134-L169 HydrophobicContact CD1-CB 4.47Å; Y134-L169 HydrophobicContact CD1-CD1 4.08Å; Y134-L169 WeakPolarHBondContact O-CD1 3.42Å
135I98.7Very high98.4Very high1 Ų125.6 Ų25.61%0.00513%0.126CC..Hα-helixtrans-63.5-43.3169.4-72.2-70.1000110.7I131 Y133 L138 L139 L216 L220 M223 F298 L322I131-I135 HydrophobicContact CG2-CG1 4.33Å; I131-I135 WeakPolarHBondContact O-CB 3.44Å; I131-I135 VanDerWaalsContact O-CG1 3.24Å; I131-I135 WeakPolarHBondContact O-CG1 3.49Å; I131-I135 PolarHBondContact O-N 3.24Å; Y133-I135 PolarHBondContact O-N 2.87Å; I135-L138 PolarHBondContact O-N 3.22Å; I135-L139 HydrophobicContact CG2-CD1 3.96Å; I135-L139 HydrophobicContact CG2-CG 4.45Å; I135-L139 WeakPolarHBondContact O-CB 3.46Å; I135-L139 VanDerWaalsContact O-CG 3.24Å; I135-L139 WeakPolarHBondContact O-CG 3.43Å; I135-L139 PolarHBondContact O-N 3.06Å; I135-L216 HydrophobicContact CD1-CD2 4.38Å; I135-L216 HydrophobicContact CD1-CG 4.26Å; I135-L216 HydrophobicContact CG2-CD2 4.44Å; I135-L220 HydrophobicContact CD1-CB 4.08Å; I135-L220 HydrophobicContact CD1-CD1 4.39Å; I135-L220 HydrophobicContact CG1-CD1 4.07Å; I135-M223 HydrophobicContact CD1-CE 3.5Å; I135-M223 VanDerWaalsContact CD1-CE 3.5Å; I135-M223 HydrophobicContact CG1-CE 3.92Å; I135-F298 HydrophobicContact CG2-CZ 4.27Å; I135-L322 HydrophobicContact CG2-CD1 4.45Å; I135-L322 HydrophobicContact CG2-CD2 4.3Å
136Y98.8Very high98.6Very high29 Ų2921.4 Ų21.411%0.11410%0.101CC..Hα-helixtrans-63.5-43.3176.6-170.1-110.4000112.1R132 Y133 L138 L139 K140 M317 L322 V325 R326 E329R132-Y136 WeakPolarHBondContact O-CB 3.22Å; R132-Y136 PolarHBondContact O-N 2.78Å; Y133-Y136 WeakPolarHBondContact O-CB 3.25Å; Y133-Y136 PolarHBondContact O-N 3.47Å; Y133-Y136 VanDerWaalsContact O-N 3.14Å; Y136-L138 PolarHBondContact O-N 3.08Å; Y136-L139 WeakPolarHBondContact O-CB 3.45Å; Y136-L139 PolarHBondContact O-N 3.3Å; Y136-K140 HydrophobicContact CE1-CD 4.43Å; Y136-K140 PolarHBondContact O-N 3.44Å; Y136-M317 HydrophobicContact CD2-CB 4.32Å; Y136-M317 HydrophobicContact CD2-CG 4.04Å; Y136-M317 HydrophobicContact CE2-CB 3.75Å; Y136-M317 HydrophobicContact CE2-CG 3.78Å; Y136-M317 HydrophobicContact CE2-SD 4.25Å; Y136-L322 HydrophobicContact CD2-CB 4.06Å; Y136-L322 HydrophobicContact CD2-CD1 3.75Å; Y136-L322 HydrophobicContact CD2-CG 4.42Å; Y136-V325 HydrophobicContact CD1-CG1 3.57Å; Y136-V325 HydrophobicContact CE1-CG1 4.28Å; Y136-V325 HydrophobicContact CG-CG1 3.91Å; Y136-R326 HydrophobicContact CE1-CG 4.45Å; Y136-R326 HydrophobicContact CE2-CG 3.78Å; Y136-E329 WeakPolarHBondContact CE1-OE2 3.46Å
137E98.7Very high98.7Very high13 Ų1322.8 Ų22.86%0.06111%0.11CC..Hα-helixtrans-65.5-36.2176.3-68.2-56.2119.600112.8N91 Y133 Y134 K140 A141 L169N91-E137 PolarHBondContact ND2-O 3.07Å; N91-E137 PolarHBondContact ND2-OE2 2.87Å; Y133-E137 HydrophobicContact CD1-CG 4.44Å; Y133-E137 HydrophobicContact CD2-CG 4.44Å; Y133-E137 HydrophobicContact CE1-CG 3.97Å; Y133-E137 HydrophobicContact CE2-CG 3.94Å; Y133-E137 WeakPolarHBondContact O-CG 2.94Å; Y133-E137 PolarHBondContact O-N 2.93Å; Y134-E137 PolarHBondContact O-N 3.37Å; E137-K140 PolarHBondContact O-N 2.77Å; E137-K140 WeakPolarHBondContact OE1-CE 3.49Å; E137-K140 IonicContact OE1-NZ 3.3Å; E137-K140 PolarHBondContact OE1-NZ 3.06Å; E137-K140 IonicContact OE2-NZ 3.11Å; E137-A141 PolarHBondContact O-N 2.86Å; E137-L169 HydrophobicContact CB-CB 4.07Å; E137-L169 HydrophobicContact CB-CD1 4.17Å
138L98.9Very high98.7Very high3 Ų322.4 Ų22.42%0.01610%0.103CC..Hα-helixtrans-67.3-40.8172.7179.458.8000111.5Y134 I135 Y136 K140 A141 L142 V155 V160 L169 L171 L216 M219Y134-L138 WeakPolarHBondContact O-CB 3.45Å; Y134-L138 PolarHBondContact O-N 3.48Å; I135-L138 PolarHBondContact O-N 3.22Å; Y136-L138 PolarHBondContact O-N 3.08Å; L138-K140 VanDerWaalsContact C-N 3.29Å; L138-K140 PolarHBondContact O-N 2.94Å; L138-A141 WeakPolarHBondContact O-CB 3.28Å; L138-A141 PolarHBondContact O-N 2.98Å; L138-A141 VanDerWaalsContact O-N 3.13Å; L138-L142 HydrophobicContact CD1-CG 4.46Å; L138-L142 HydrophobicContact CG-CD1 4.36Å; L138-L142 WeakPolarHBondContact O-CG 3.47Å; L138-L142 PolarHBondContact O-N 3.06Å; L138-V155 HydrophobicContact CD2-CG1 4.21Å; L138-V160 HydrophobicContact CD1-CG2 3.93Å; L138-V160 HydrophobicContact CD2-CG2 4.18Å; L138-L169 HydrophobicContact CB-CD1 4.23Å; L138-L171 HydrophobicContact CD1-CD1 4.15Å; L138-L171 HydrophobicContact CD1-CD2 4.44Å; L138-L216 HydrophobicContact CD2-CD1 3.91Å; L138-L216 HydrophobicContact CD2-CG 4.36Å; L138-L216 HydrophobicContact CG-CD1 4.05Å; L138-M219 HydrophobicContact CD2-CE 4.22Å; L138-M219 HydrophobicContact CD2-SD 4.27Å
139L98.9Very high98.7Very high0 Ų020.4 Ų20.40%09%0.092CC..Hα-helixtrans-61.8-36.3175.9-74.5166.1000112.3I135 Y136 A141 L142 D143 M213 L216 F298 A313 A316 M317 L322I135-L139 HydrophobicContact CG2-CD1 3.96Å; I135-L139 HydrophobicContact CG2-CG 4.45Å; I135-L139 WeakPolarHBondContact O-CB 3.46Å; I135-L139 VanDerWaalsContact O-CG 3.24Å; I135-L139 WeakPolarHBondContact O-CG 3.43Å; I135-L139 PolarHBondContact O-N 3.06Å; Y136-L139 WeakPolarHBondContact O-CB 3.45Å; Y136-L139 PolarHBondContact O-N 3.3Å; L139-A141 VanDerWaalsContact C-N 3.32Å; L139-A141 PolarHBondContact O-N 3.39Å; L139-L142 PolarHBondContact O-N 2.88Å; L139-D143 WeakPolarHBondContact O-CB 3.33Å; L139-D143 PolarHBondContact O-N 3.11Å; L139-M213 HydrophobicContact CD2-CE 3.67Å; L139-M213 HydrophobicContact CD2-SD 4.27Å; L139-L216 HydrophobicContact CD2-CD1 3.59Å; L139-L216 HydrophobicContact CD2-CD2 4.47Å; L139-L216 HydrophobicContact CG-CD1 3.81Å; L139-F298 HydrophobicContact CD1-CE2 4.41Å; L139-F298 HydrophobicContact CD1-CZ 4.12Å; L139-A313 HydrophobicContact CD2-CB 4.27Å; L139-A316 HydrophobicContact CD1-CB 3.94Å; L139-A316 HydrophobicContact CD2-CB 3.73Å; L139-M317 HydrophobicContact CB-CG 3.5Å; L139-M317 VanDerWaalsContact CB-CG 3.5Å; L139-M317 HydrophobicContact CB-SD 4.14Å; L139-M317 HydrophobicContact CD1-CG 4.05Å; L139-M317 HydrophobicContact CG-CG 4.34Å; L139-L322 HydrophobicContact CD1-CD1 3.4Å; L139-L322 VanDerWaalsContact CD1-CD1 3.4Å
140K98.9Very high98.8Very high29 Ų2917 Ų1713%0.1268%0.079CC..Hα-helixtrans-57.9-44.5172.2-70.3175.5-179.6169.70111.7V90 Y136 E137 L138 F144 M317 E329V90-K140 HydrophobicContact CG1-CB 4Å; V90-K140 WeakPolarHBondContact CG1-O 3.46Å; V90-K140 HydrophobicContact CG2-CB 3.95Å; V90-K140 HydrophobicContact CG2-CD 4.15Å; Y136-K140 HydrophobicContact CE1-CD 4.43Å; Y136-K140 PolarHBondContact O-N 3.44Å; E137-K140 PolarHBondContact O-N 2.77Å; E137-K140 WeakPolarHBondContact OE1-CE 3.49Å; E137-K140 IonicContact OE1-NZ 3.3Å; E137-K140 PolarHBondContact OE1-NZ 3.06Å; E137-K140 IonicContact OE2-NZ 3.11Å; L138-K140 VanDerWaalsContact C-N 3.29Å; L138-K140 PolarHBondContact O-N 2.94Å; K140-F144 VanDerWaalsContact O-CB 3.27Å; K140-F144 WeakPolarHBondContact O-CB 3.11Å; K140-F144 PolarHBondContact O-N 3.19Å; K140-M317 HydrophobicContact CG-SD 3.9Å; K140-E329 IonicContact NZ-OE1 2.8Å; K140-E329 PolarHBondContact NZ-OE1 3.15Å; K140-E329 IonicContact NZ-OE2 3.57Å; K140-E329 PolarHBondContact NZ-OE2 2.86Å
141A98.9Very high98.8Very high0 Ų014.5 Ų14.50%07%0.067CC..Hα-helixtrans-64.5-43177.700000112V90 N91 V92 E137 L138 L139 C145 L171V90-A141 WeakPolarHBondContact O-CA 3.49Å; N91-A141 HydrophobicContact CB-CB 4Å; V92-A141 HydrophobicContact CG2-CB 4.49Å; E137-A141 PolarHBondContact O-N 2.86Å; L138-A141 WeakPolarHBondContact O-CB 3.28Å; L138-A141 PolarHBondContact O-N 2.98Å; L138-A141 VanDerWaalsContact O-N 3.13Å; L139-A141 VanDerWaalsContact C-N 3.32Å; L139-A141 PolarHBondContact O-N 3.39Å; A141-C145 PolarHBondContact O-N 3.34Å; A141-L171 HydrophobicContact CB-CB 4.11Å; A141-L171 HydrophobicContact CB-CD2 4.23Å
142L98.9Very high98.8Very high0 Ų014.5 Ų14.50%07%0.067CC..Hα-helixtrans-67-48.1179.2-66.1-179.9000111.8L138 L139 F144 C145 H146 V155 L171 D212 M213 L216 A313L138-L142 HydrophobicContact CD1-CG 4.46Å; L138-L142 HydrophobicContact CG-CD1 4.36Å; L138-L142 WeakPolarHBondContact O-CG 3.47Å; L138-L142 PolarHBondContact O-N 3.06Å; L139-L142 PolarHBondContact O-N 2.88Å; L142-F144 VanDerWaalsContact C-N 3.27Å; L142-F144 PolarHBondContact O-N 2.92Å; L142-C145 PolarHBondContact O-N 3.43Å; L142-C145 PolarHBondContact O-SG 3.1Å; L142-H146 VanDerWaalsContact O-CB 3.24Å; L142-H146 WeakPolarHBondContact O-CB 3.24Å; L142-H146 PolarHBondContact O-CD2 3Å; L142-H146 VanDerWaalsContact O-CD2 3.3Å; L142-H146 PolarHBondContact O-N 3.11Å; L142-H146 PolarHBondContact O-ND1 3.44Å; L142-V155 HydrophobicContact CD2-CG2 3.79Å; L142-L171 HydrophobicContact CD2-CD2 3.9Å; L142-D212 HydrophobicContact CD1-CB 4.41Å; L142-D212 HydrophobicContact CD2-CB 4.06Å; L142-M213 HydrophobicContact CD1-SD 4.35Å; L142-L216 HydrophobicContact CD1-CB 4.39Å; L142-L216 HydrophobicContact CD1-CD1 3.72Å; L142-A313 HydrophobicContact CB-CB 4.1Å
143D98.9Very high98.8Very high28 Ų2813.8 Ų13.815%0.156%0.064CC..Hα-helixtrans-59.9-41.9177.1-168.558.4000111.1Y10 L139 S147 A313 K314 M317Y10-D143 PolarHBondContact OH-OD1 2.9Å; L139-D143 WeakPolarHBondContact O-CB 3.33Å; L139-D143 PolarHBondContact O-N 3.11Å; D143-S147 VanDerWaalsContact O-CB 3.23Å; D143-S147 WeakPolarHBondContact O-CB 3.34Å; D143-S147 PolarHBondContact O-N 3.48Å; D143-S147 PolarHBondContact O-OG 3.16Å; D143-A313 HydrophobicContact CB-CB 3.66Å; D143-K314 WeakPolarHBondContact OD1-CB 3.35Å; D143-K314 PolarHBondContact OD1-N 3.04Å; D143-M317 HydrophobicContact CB-CE 3.48Å; D143-M317 VanDerWaalsContact CB-CE 3.48Å; D143-M317 WeakPolarHBondContact OD2-CE 3.1Å
144F98.9Very high98.8Very high48 Ų4812 Ų1221%0.2116%0.058CC..Hα-helixtrans-59.2-54.1174.7178.2-100.8000111.6L86 V90 V92 K140 L142 H146 S147 Q148L86-F144 HydrophobicContact CB-CE1 4.28Å; L86-F144 HydrophobicContact CD2-CD1 4.13Å; L86-F144 HydrophobicContact CD2-CE1 3.72Å; V90-F144 HydrophobicContact CG1-CB 3.77Å; V90-F144 HydrophobicContact CG1-CG 4.23Å; V92-F144 HydrophobicContact CG2-CD1 3.98Å; V92-F144 HydrophobicContact CG2-CE1 4.47Å; K140-F144 VanDerWaalsContact O-CB 3.27Å; K140-F144 WeakPolarHBondContact O-CB 3.11Å; K140-F144 PolarHBondContact O-N 3.19Å; L142-F144 VanDerWaalsContact C-N 3.27Å; L142-F144 PolarHBondContact O-N 2.92Å; F144-H146 PolarHBondContact O-N 2.85Å; F144-S147 PolarHBondContact O-N 2.86Å; F144-S147 PolarHBondContact O-OG 2.91Å; F144-Q148 HydrophobicContact CE1-CG 4.09Å; F144-Q148 HydrophobicContact CE2-CG 4.21Å; F144-Q148 HydrophobicContact CZ-CG 3.91Å; F144-Q148 WeakPolarHBondContact O-CG 3.41Å; F144-Q148 PolarHBondContact O-N 2.7Å
145C98.9Very high98.8Very high0 Ų011.4 Ų11.40%06%0.056CC..Hα-helixtrans-67.8-35.4-177.575.40000112.9L86 A141 L142 Q148 G149 I150 W174L86-C145 HydrophobicContact CD1-CB 4.05Å; L86-C145 HydrophobicContact CD2-CB 3.88Å; A141-C145 PolarHBondContact O-N 3.34Å; L142-C145 PolarHBondContact O-N 3.43Å; L142-C145 PolarHBondContact O-SG 3.1Å; C145-Q148 CarbonylContact O-C 3.59Å; C145-Q148 WeakPolarHBondContact O-CA 3.41Å; C145-Q148 PolarHBondContact O-N 2.64Å; C145-Q148 VanDerWaalsContact O-N 3.1Å; C145-G149 PolarHBondContact O-N 2.77Å; C145-I150 CarbonylContact C-O 3.56Å; C145-I150 VanDerWaalsContact C-O 3.28Å; C145-I150 PolarHBondContact O-N 2.95Å; C145-I150 VanDerWaalsContact O-O 3.12Å; C145-W174 HydrophobicContact CB-CH2 3.45Å; C145-W174 VanDerWaalsContact CB-CH2 3.45Å; C145-W174 HydrophobicContact CB-CZ3 3.73Å
146H98.9Very high98.8Very high4 Ų412.8 Ų12.82%0.0196%0.061CC..Hα-helixtrans-62.6-42.6173.3-63.5173.5000110.8Y10 L142 F144 Q148 G149 I150 Y209 D212Y10-H146 WeakPolarHBondContact CB-O 3.27Å; Y10-H146 HydrophobicContact CD2-CB 3.94Å; Y10-H146 HydrophobicContact CE2-CB 4.23Å; L142-H146 VanDerWaalsContact O-CB 3.24Å; L142-H146 WeakPolarHBondContact O-CB 3.24Å; L142-H146 PolarHBondContact O-CD2 3Å; L142-H146 VanDerWaalsContact O-CD2 3.3Å; L142-H146 PolarHBondContact O-N 3.11Å; L142-H146 PolarHBondContact O-ND1 3.44Å; F144-H146 PolarHBondContact O-N 2.85Å; H146-Q148 PolarHBondContact O-N 3.39Å; H146-G149 PolarHBondContact O-N 3.3Å; H146-I150 PolarHBondContact CD2-O 2.92Å; H146-I150 PolarHBondContact N-O 3.44Å; H146-Y209 HydrophobicContact CB-CD1 3.99Å; H146-Y209 HydrophobicContact CB-CG 4.09Å; H146-Y209 AromaticContact CD2-CD1 3.7Å; H146-Y209 PolarHBondContact CE1-O 2.76Å; H146-Y209 AromaticContact CG-CD1 3.92Å; H146-Y209 AromaticContact CG-CG 3.94Å; H146-D212 IonicContact CD2-OD2 3.34Å; H146-D212 IonicContact CE1-OD2 3.75Å; H146-D212 IonicContact NE2-OD2 2.77Å; H146-D212 PolarHBondContact NE2-OD2 3.26Å
147S98.8Very high98.7Very high30 Ų3011.6 Ų11.621%0.216%0.057CC..Hα-helixtrans-65.1-21.9174.382.10000113.6D143 F144 G149D143-S147 VanDerWaalsContact O-CB 3.23Å; D143-S147 WeakPolarHBondContact O-CB 3.34Å; D143-S147 PolarHBondContact O-N 3.48Å; D143-S147 PolarHBondContact O-OG 3.16Å; F144-S147 PolarHBondContact O-N 2.86Å; F144-S147 PolarHBondContact O-OG 2.91Å; S147-G149 VanDerWaalsContact C-N 3.29Å
148Q98.8Very high98.6Very high43 Ų4316.1 Ų16.120%0.2018%0.078CC..THydrogen-bonded Turntrans-89.38.2171.9-65.9-45.9-57.900113Y21 L86 F144 C145 H146 I150Y21-Q148 WeakPolarHBondContact OH-CB 3.37Å; Y21-Q148 PolarHBondContact OH-O 3.12Å; Y21-Q148 PolarHBondContact OH-OE1 3.41Å; L86-Q148 HydrophobicContact CD2-CB 3.73Å; L86-Q148 HydrophobicContact CD2-CG 3.89Å; F144-Q148 HydrophobicContact CE1-CG 4.09Å; F144-Q148 HydrophobicContact CE2-CG 4.21Å; F144-Q148 HydrophobicContact CZ-CG 3.91Å; F144-Q148 WeakPolarHBondContact O-CG 3.41Å; F144-Q148 PolarHBondContact O-N 2.7Å; C145-Q148 CarbonylContact O-C 3.59Å; C145-Q148 WeakPolarHBondContact O-CA 3.41Å; C145-Q148 PolarHBondContact O-N 2.64Å; C145-Q148 VanDerWaalsContact O-N 3.1Å; H146-Q148 PolarHBondContact O-N 3.39Å; Q148-I150 HydrophobicContact CB-CD1 4.36Å
149G98.8Very high98.5Very high0 Ų016.4 Ų16.40%08%0.08CC..THydrogen-bonded Turntrans75.124.6177.900000113.7N14 C145 H146 S147 F179 Y180 Y209N14-G149 PolarHBondContact ND2-O 3.45Å; C145-G149 PolarHBondContact O-N 2.77Å; H146-G149 PolarHBondContact O-N 3.3Å; S147-G149 VanDerWaalsContact C-N 3.29Å; G149-F179 CarbonylContact O-C 3.59Å; G149-F179 WeakPolarHBondContact O-CA 3.34Å; G149-Y180 PolarHBondContact O-N 3.37Å; G149-Y209 WeakPolarHBondContact CA-OH 3.44Å
150I98.9Very high98.4Very high0 Ų016.6 Ų16.60%08%0.081CC..EExtended strand (participates in β ladder)trans-123.3130.2-174.3-66.4157.7000110.7I82 N85 L86 C145 H146 Q148 W174 A177 E178 F179I82-I150 HydrophobicContact CD1-CG2 4.21Å; I82-I150 HydrophobicContact CG1-CD1 4.23Å; I82-I150 HydrophobicContact CG1-CG1 4.38Å; I82-I150 HydrophobicContact CG1-CG2 4.41Å; I82-I150 HydrophobicContact CG2-CD1 4.2Å; I82-I150 HydrophobicContact CG2-CG2 3.97Å; N85-I150 HydrophobicContact CB-CD1 4.39Å; L86-I150 HydrophobicContact CD1-CD1 4.14Å; L86-I150 HydrophobicContact CD1-CG2 4.37Å; L86-I150 HydrophobicContact CD2-CD1 3.77Å; L86-I150 HydrophobicContact CG-CD1 3.8Å; C145-I150 CarbonylContact C-O 3.56Å; C145-I150 VanDerWaalsContact C-O 3.28Å; C145-I150 PolarHBondContact O-N 2.95Å; C145-I150 VanDerWaalsContact O-O 3.12Å; H146-I150 PolarHBondContact CD2-O 2.92Å; H146-I150 PolarHBondContact N-O 3.44Å; Q148-I150 HydrophobicContact CB-CD1 4.36Å; I150-W174 HydrophobicContact CG2-CE3 4.23Å; I150-W174 HydrophobicContact CG2-CZ3 3.95Å; I150-A177 HydrophobicContact CG2-CB 4.17Å; I150-E178 CarbonylContact C-O 3.55Å; I150-E178 WeakPolarHBondContact CA-O 3.27Å; I150-F179 HydrophobicContact CD1-CD1 4.32Å; I150-F179 HydrophobicContact CD1-CE1 3.77Å; I150-F179 HydrophobicContact CD1-CZ 4.33Å; I150-F179 HydrophobicContact CG1-CD1 3.71Å; I150-F179 HydrophobicContact CG1-CE1 3.69Å; I150-F179 HydrophobicContact CG1-CG 4.47Å; I150-F179 HydrophobicContact CG1-CZ 4.43Å
151M98.9Very high98.4Very high0 Ų016.9 Ų16.90%08%0.083CC..EExtended strand (participates in β ladder)trans-95.7137.4169-56.3176.2-80.500109.7R153 A177 E178 Y180 Y186 Y207 D208 Y209M151-R153 HydrophobicContact CB-CG 3.75Å; M151-A177 CarbonylContact O-C 3.53Å; M151-A177 WeakPolarHBondContact O-CA 3.33Å; M151-A177 VanDerWaalsContact O-CB 3.23Å; M151-A177 WeakPolarHBondContact O-CB 3.44Å; M151-E178 HydrophobicContact CE-CB 4.32Å; M151-E178 PolarHBondContact N-O 3.04Å; M151-E178 PolarHBondContact O-N 2.85Å; M151-Y180 HydrophobicContact CE-CD2 4.11Å; M151-Y180 HydrophobicContact SD-CD2 4.2Å; M151-Y186 HydrophobicContact CE-CD1 4.13Å; M151-Y186 HydrophobicContact CE-CD2 4.05Å; M151-Y186 HydrophobicContact CE-CE1 3.87Å; M151-Y186 HydrophobicContact CE-CE2 3.79Å; M151-Y186 HydrophobicContact CE-CG 4.22Å; M151-Y207 HydrophobicContact CE-CE2 4.4Å; M151-Y207 HydrophobicContact SD-CD2 4.15Å; M151-Y207 HydrophobicContact SD-CE2 4.22Å; M151-D208 WeakPolarHBondContact SD-CA 3.49Å; M151-Y209 HydrophobicContact CG-CD1 3.49Å; M151-Y209 VanDerWaalsContact CG-CD1 3.49Å; M151-Y209 HydrophobicContact CG-CE1 4.03Å; M151-Y209 HydrophobicContact CG-CG 4.25Å
152H98.9Very high98.3Very high0 Ų017 Ų170%08%0.084CC..  trans-76.8-44.7179.9-173.5-90.3000112.3D154 V155 I172 W174 L176 A177 D212H152-D154 PolarHBondContact CE1-O 3.46Å; H152-D154 VanDerWaalsContact ND1-C 3.31Å; H152-D154 PolarHBondContact ND1-N 3.02Å; H152-D154 PolarHBondContact O-N 3.24Å; H152-D154 VanDerWaalsContact O-N 3.17Å; H152-V155 HydrophobicContact CB-CG2 3.89Å; H152-V155 PolarHBondContact ND1-N 2.92Å; H152-I172 PolarHBondContact NE2-O 2.85Å; H152-W174 HydrophobicContact CB-CZ3 4.24Å; H152-W174 AromaticContact CD2-CD2 3.7Å; H152-W174 AromaticContact CD2-CE2 3.8Å; H152-W174 AromaticContact CD2-CE3 3.64Å; H152-W174 AromaticContact CD2-CH2 3.79Å; H152-W174 AromaticContact CD2-CZ2 3.87Å; H152-W174 AromaticContact CD2-CZ3 3.68Å; H152-L176 CarbonylContact O-C 3.46Å; H152-A177 VanDerWaalsContact O-CA 3.31Å; H152-A177 WeakPolarHBondContact O-CA 3.24Å; H152-A177 PolarHBondContact O-N 3.48Å; H152-D212 PolarHBondContact N-OD1 2.9Å; H152-D212 PolarHBondContact N-OD2 3.3Å
153R98.8Very high98.2Very high6 Ų618.1 Ų18.12%0.0239%0.089CC..SBendtrans62.411.5175.4-47.6-164.9-59.9-172.3-12.3117.1M151 L176 E178 V190 A191 Y207 L211 D212M151-R153 HydrophobicContact CB-CG 3.75Å; R153-L176 PolarHBondContact NE-O 3.14Å; R153-L176 PolarHBondContact NH2-O 3.22Å; R153-E178 VanDerWaalsContact CZ-CB 3.49Å; R153-E178 IonicContact CZ-OE2 3.51Å; R153-E178 IonicContact NH2-OE2 3.19Å; R153-E178 PolarHBondContact NH2-OE2 3.18Å; R153-E178 VanDerWaalsContact NH2-OE2 3.14Å; R153-V190 HydrophobicContact CB-CB 4.2Å; R153-V190 HydrophobicContact CB-CG2 4.15Å; R153-A191 VanDerWaalsContact O-CA 3.24Å; R153-A191 WeakPolarHBondContact O-CA 3.26Å; R153-A191 WeakPolarHBondContact O-CB 3.2Å; R153-A191 PolarHBondContact O-N 2.87Å; R153-Y207 WeakPolarHBondContact CD-OH 3.46Å; R153-Y207 PolarHBondContact NH1-OH 3.03Å; R153-L211 HydrophobicContact CB-CD2 4.26Å; R153-L211 HydrophobicContact CG-CD2 4.17Å; R153-D212 PolarHBondContact N-OD1 3.3Å
154D98.4Very high98.1Very high6 Ų619.9 Ų19.93%0.03210%0.097CC..  trans-151.843.3169.4-161.331.1000111.7H152 K156 N159 L176 A191 S192H152-D154 PolarHBondContact CE1-O 3.46Å; H152-D154 VanDerWaalsContact ND1-C 3.31Å; H152-D154 PolarHBondContact ND1-N 3.02Å; H152-D154 PolarHBondContact O-N 3.24Å; H152-D154 VanDerWaalsContact O-N 3.17Å; D154-K156 PolarHBondContact O-N 3.25Å; D154-K156 IonicContact OD1-NZ 2.72Å; D154-K156 PolarHBondContact OD1-NZ 2.89Å; D154-K156 WeakPolarHBondContact OD2-CE 3.47Å; D154-K156 IonicContact OD2-NZ 2.74Å; D154-K156 PolarHBondContact OD2-NZ 3.48Å; D154-N159 PolarHBondContact O-ND2 3.45Å; D154-N159 PolarHBondContact OD2-ND2 2.83Å; D154-L176 HydrophobicContact CB-CB 4.21Å; D154-L176 HydrophobicContact CB-CD1 3.77Å; D154-A191 WeakPolarHBondContact OD1-CA 3.47Å; D154-S192 PolarHBondContact OD1-N 3.49Å; D154-S192 PolarHBondContact OD1-OG 3.13Å
155V98.8Very high97.9Very high0 Ų025.9 Ų25.90%013%0.125CC..  trans-67.6122.9173.1179.50000108.8L138 L142 H152 D212 S215 M219L138-V155 HydrophobicContact CD2-CG1 4.21Å; L142-V155 HydrophobicContact CD2-CG2 3.79Å; H152-V155 HydrophobicContact CB-CG2 3.89Å; H152-V155 PolarHBondContact ND1-N 2.92Å; V155-D212 HydrophobicContact CG2-CB 4Å; V155-S215 WeakPolarHBondContact O-CB 3.44Å; V155-M219 HydrophobicContact CG1-SD 3.87Å
156K97.7Very high97.8Very high30 Ų3031.4 Ų31.413%0.1315%0.151CC..SBendtrans-167162.9-178.963.4-170.2176.1-164.30109.3D154 H158 N159 V160 S192 F195 M219D154-K156 PolarHBondContact O-N 3.25Å; D154-K156 IonicContact OD1-NZ 2.72Å; D154-K156 PolarHBondContact OD1-NZ 2.89Å; D154-K156 WeakPolarHBondContact OD2-CE 3.47Å; D154-K156 IonicContact OD2-NZ 2.74Å; D154-K156 PolarHBondContact OD2-NZ 3.48Å; K156-H158 VanDerWaalsContact C-N 3.27Å; K156-H158 HydrophobicContact CG-CB 4.32Å; K156-H158 PolarHBondContact O-N 3.37Å; K156-H158 VanDerWaalsContact O-N 3.15Å; K156-N159 VanDerWaalsContact CE-ND2 3.31Å; K156-N159 WeakPolarHBondContact CE-ND2 3.4Å; K156-N159 WeakPolarHBondContact CE-OD1 3.24Å; K156-N159 HydrophobicContact CG-CB 4.14Å; K156-N159 PolarHBondContact O-N 3.04Å; K156-V160 PolarHBondContact O-N 3.01Å; K156-S192 WeakPolarHBondContact CD-OG 3.43Å; K156-S192 PolarHBondContact NZ-OG 3.15Å; K156-F195 HydrophobicContact CB-CD1 4.29Å; K156-F195 HydrophobicContact CB-CD2 3.64Å; K156-F195 HydrophobicContact CB-CE1 4.33Å; K156-F195 HydrophobicContact CB-CE2 3.68Å; K156-F195 HydrophobicContact CB-CG 3.97Å; K156-F195 HydrophobicContact CB-CZ 4.05Å; K156-M219 VanDerWaalsContact C-SD 3.54Å; K156-M219 VanDerWaalsContact CA-SD 3.57Å
157P97.2Very high97.6Very high4 Ų432 Ų323%0.02616%0.159CC..G310 helixtrans-55.8-38.1-176.7-26.835000114.1F119 Y123 N159 V160 F195 M219F119-P157 HydrophobicContact CB-CB 4.14Å; F119-P157 HydrophobicContact CD1-CB 4.13Å; F119-P157 HydrophobicContact CD2-CB 3.18Å; F119-P157 HydrophobicContact CD2-CG 4.07Å; F119-P157 HydrophobicContact CE1-CB 4.4Å; F119-P157 HydrophobicContact CE2-CB 3.49Å; F119-P157 VanDerWaalsContact CE2-CB 3.49Å; F119-P157 HydrophobicContact CE2-CG 4.09Å; F119-P157 HydrophobicContact CG-CB 3.53Å; F119-P157 HydrophobicContact CZ-CB 4.12Å; Y123-P157 HydrophobicContact CE2-CB 3.77Å; Y123-P157 HydrophobicContact CE2-CG 3.83Å; P157-N159 PolarHBondContact O-N 3.13Å; P157-N159 VanDerWaalsContact O-N 3.16Å; P157-V160 PolarHBondContact O-N 3.4Å; P157-V160 VanDerWaalsContact O-N 3.11Å; P157-F195 HydrophobicContact CG-CE1 4.37Å; P157-F195 HydrophobicContact CG-CZ 3.99Å; P157-M219 HydrophobicContact CB-CE 4.41Å; P157-M219 HydrophobicContact CG-CE 4.1Å; P157-M219 HydrophobicContact CG-CG 4.14Å; P157-M219 HydrophobicContact CG-SD 4.48Å
158H95.5Very high97.5Very high107 Ų10735.2 Ų35.250%0.49517%0.169SC..G310 helixtrans-62.8-22.1177.8-70.176.9000114F119 K156 M161F119-H158 AromaticContact CE1-CD2 3.8Å; F119-H158 AromaticContact CE1-CE1 3.27Å; F119-H158 WeakPolarHBondContact CE1-CE1 3.35Å; F119-H158 AromaticContact CE1-CG 3.72Å; F119-H158 AromaticContact CE1-ND1 3.38Å; F119-H158 WeakPolarHBondContact CE1-ND1 3.49Å; F119-H158 AromaticContact CE1-NE2 3.55Å; F119-H158 AromaticContact CZ-CE1 3.25Å; F119-H158 WeakPolarHBondContact CZ-CE1 3.25Å; F119-H158 AromaticContact CZ-ND1 3.49Å; F119-H158 WeakPolarHBondContact CZ-ND1 3.5Å; F119-H158 AromaticContact CZ-NE2 3.94Å; K156-H158 VanDerWaalsContact C-N 3.27Å; K156-H158 HydrophobicContact CG-CB 4.32Å; K156-H158 PolarHBondContact O-N 3.37Å; K156-H158 VanDerWaalsContact O-N 3.15Å; H158-M161 VanDerWaalsContact O-CE 3.22Å; H158-M161 WeakPolarHBondContact O-CE 3.41Å
159N97.2Very high97.5Very high9 Ų933.2 Ų33.25%0.04816%0.16CC..G310 helixtrans-102.37.3-179.4-72-0.1000112.2D154 K156 P157 L171 I172D154-N159 PolarHBondContact O-ND2 3.45Å; D154-N159 PolarHBondContact OD2-ND2 2.83Å; K156-N159 VanDerWaalsContact CE-ND2 3.31Å; K156-N159 WeakPolarHBondContact CE-ND2 3.4Å; K156-N159 WeakPolarHBondContact CE-OD1 3.24Å; K156-N159 HydrophobicContact CG-CB 4.14Å; K156-N159 PolarHBondContact O-N 3.04Å; P157-N159 PolarHBondContact O-N 3.13Å; P157-N159 VanDerWaalsContact O-N 3.16Å; N159-L171 WeakPolarHBondContact O-CD1 3.27Å; N159-I172 HydrophobicContact CB-CG1 4.18Å; N159-I172 VanDerWaalsContact O-CG1 3.3Å; N159-I172 WeakPolarHBondContact O-CG1 3.21Å; N159-I172 PolarHBondContact O-N 3.42Å
160V98.2Very high97.5Very high4 Ų435.8 Ų35.82%0.02417%0.169CC..EExtended strand (participates in β ladder)trans-115.595.6176.9-179.80000107.8L138 K156 P157 I162 L169 L171 M219L138-V160 HydrophobicContact CD1-CG2 3.93Å; L138-V160 HydrophobicContact CD2-CG2 4.18Å; K156-V160 PolarHBondContact O-N 3.01Å; P157-V160 PolarHBondContact O-N 3.4Å; P157-V160 VanDerWaalsContact O-N 3.11Å; V160-I162 HydrophobicContact CG1-CD1 4.29Å; V160-I162 HydrophobicContact CG1-CG1 4.14Å; V160-L169 HydrophobicContact CG1-CD1 3.46Å; V160-L169 VanDerWaalsContact CG1-CD1 3.46Å; V160-L169 HydrophobicContact CG1-CD2 4.07Å; V160-L169 HydrophobicContact CG1-CG 3.69Å; V160-L171 HydrophobicContact CG2-CD1 4.23Å; V160-M219 HydrophobicContact CB-CE 4.41Å; V160-M219 HydrophobicContact CG2-CE 3.92Å; V160-M219 HydrophobicContact CG2-SD 4.47Å
161M97.4Very high97.5Very high36 Ų3635.8 Ų35.818%0.17717%0.169CC..EExtended strand (participates in β ladder)trans-77.3129.6177.9-64-71.7110.100109.3V114 N116 H158 L169 R170 I172V114-M161 HydrophobicContact CB-CB 4.48Å; V114-M161 HydrophobicContact CG1-CB 3.89Å; N116-M161 HydrophobicContact CB-CB 4.45Å; N116-M161 HydrophobicContact CB-SD 3.56Å; N116-M161 VanDerWaalsContact CB-SD 3.56Å; N116-M161 VanDerWaalsContact OD1-CA 3.22Å; N116-M161 WeakPolarHBondContact OD1-CA 3.41Å; H158-M161 VanDerWaalsContact O-CE 3.22Å; H158-M161 WeakPolarHBondContact O-CE 3.41Å; M161-L169 CarbonylContact O-C 3.28Å; M161-L169 WeakPolarHBondContact O-CA 3.34Å; M161-R170 HydrophobicContact CB-CB 4.39Å; M161-R170 PolarHBondContact N-O 3.46Å; M161-R170 PolarHBondContact O-N 2.79Å; M161-I172 HydrophobicContact CB-CG2 4.36Å; M161-I172 HydrophobicContact CE-CD1 3.7Å; M161-I172 HydrophobicContact CE-CG1 4.44Å; M161-I172 HydrophobicContact CG-CD1 3.89Å; M161-I172 HydrophobicContact CG-CG1 4.13Å; M161-I172 HydrophobicContact CG-CG2 3.59Å; M161-I172 HydrophobicContact SD-CD1 4.19Å
162I98.1Very high97.4Very high2 Ų237.7 Ų37.71%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-126.3117.4180-63.2173.4000109.8N116 A117 L122 Y123 Y134 V160 H164 K168 L169N116-I162 WeakPolarHBondContact CA-O 3.43Å; N116-I162 PolarHBondContact OD1-N 3.42Å; A117-I162 PolarHBondContact N-O 2.84Å; L122-I162 HydrophobicContact CD2-CB 3.78Å; L122-I162 HydrophobicContact CD2-CD1 3.89Å; L122-I162 HydrophobicContact CD2-CG1 4.43Å; L122-I162 HydrophobicContact CD2-CG2 3.61Å; Y123-I162 HydrophobicContact CE1-CD1 4.03Å; Y134-I162 HydrophobicContact CD1-CD1 3.97Å; Y134-I162 HydrophobicContact CD1-CG1 4.22Å; Y134-I162 HydrophobicContact CD1-CG2 4.09Å; Y134-I162 HydrophobicContact CD2-CD1 4.2Å; Y134-I162 HydrophobicContact CE1-CD1 4.37Å; Y134-I162 HydrophobicContact CE1-CG1 4.37Å; Y134-I162 HydrophobicContact CE1-CG2 3.41Å; Y134-I162 VanDerWaalsContact CE1-CG2 3.41Å; Y134-I162 HydrophobicContact CE2-CG2 4.08Å; Y134-I162 HydrophobicContact CG-CD1 3.88Å; Y134-I162 VanDerWaalsContact CZ-CG2 3.41Å; V160-I162 HydrophobicContact CG1-CD1 4.29Å; V160-I162 HydrophobicContact CG1-CG1 4.14Å; I162-H164 HydrophobicContact CG2-CB 4.3Å; I162-H164 PolarHBondContact O-N 3.05Å; I162-K168 WeakPolarHBondContact CA-O 3.3Å; I162-L169 HydrophobicContact CD1-CD1 4.41Å; I162-L169 HydrophobicContact CG1-CD1 4.18Å; I162-L169 HydrophobicContact CG1-CG 4.32Å
163D97Very high97.3Very high23 Ų2340.2 Ų40.212%0.12319%0.192CC..EExtended strand (participates in β ladder)trans-86.598.6161.3-171.8-22.8000107.2N115 E165 E166 G167 K168N115-D163 HydrophobicContact CB-CB 4.41Å; N115-D163 WeakPolarHBondContact O-CA 3.34Å; N115-D163 WeakPolarHBondContact O-CB 3.42Å; N115-D163 PolarHBondContact O-N 2.86Å; D163-E165 PolarHBondContact OD1-N 3.33Å; D163-E166 HydrophobicContact CB-CB 4.25Å; D163-E166 PolarHBondContact OD1-N 3.12Å; D163-E166 WeakPolarHBondContact OD2-CG 3.36Å; D163-G167 CarbonylContact O-C 3.56Å; D163-G167 WeakPolarHBondContact O-CA 3.46Å; D163-G167 PolarHBondContact O-N 2.84Å; D163-K168 HydrophobicContact CB-CB 4.26Å; D163-K168 PolarHBondContact N-O 3.06Å; D163-K168 PolarHBondContact O-N 3.07Å
164H96.6Very high97.3Very high65 Ų6540 Ų4030%0.30119%0.191SC..THydrogen-bonded Turntrans-72.5-34.8-172.8-171.750.1000112.4L122 E130 Y134 I162 E166 G167L122-H164 HydrophobicContact CD1-CB 3.87Å; E130-H164 IonicContact OE1-CE1 2.59Å; E130-H164 PolarHBondContact OE1-CE1 3.26Å; E130-H164 IonicContact OE1-NE2 2.72Å; Y134-H164 AromaticContact CE2-ND1 3.73Å; Y134-H164 AromaticContact CZ-ND1 3.72Å; Y134-H164 WeakPolarHBondContact OH-CA 3.34Å; Y134-H164 PolarHBondContact OH-ND1 2.94Å; I162-H164 HydrophobicContact CG2-CB 4.3Å; I162-H164 PolarHBondContact O-N 3.05Å; H164-E166 VanDerWaalsContact C-N 3.34Å; H164-G167 PolarHBondContact O-N 3.02Å
165E95.1Very high97.2Very high174 Ų17439.9 Ų39.981%0.81319%0.192SC*.THydrogen-bonded Turntrans-64.6-41.9179-63.3-178.317300110.9D163D163-E165 PolarHBondContact OD1-N 3.33Å
166E95.5Very high97.1Very high117 Ų11741.2 Ų41.255%0.54720%0.199SC..THydrogen-bonded Turntrans-87.3-8.9178.4-69.2-72.8131.700113.7D163 H164 K168D163-E166 HydrophobicContact CB-CB 4.25Å; D163-E166 PolarHBondContact OD1-N 3.12Å; D163-E166 WeakPolarHBondContact OD2-CG 3.36Å; H164-E166 VanDerWaalsContact C-N 3.34Å; E166-K168 VanDerWaalsContact C-N 3.3Å; E166-K168 HydrophobicContact CB-CD 3.9Å; E166-K168 HydrophobicContact CB-CG 4.07Å; E166-K168 PolarHBondContact O-N 3.31Å; E166-K168 IonicContact OE2-NZ 3.03Å; E166-K168 PolarHBondContact OE2-NZ 2.69Å
167G95.3Very high97.2Very high17 Ų1739.8 Ų39.818%0.17519%0.193CC..THydrogen-bonded Turntrans6233.2-173.300000113.4Y133 D163 H164Y133-G167 WeakPolarHBondContact CE1-O 3.4Å; Y133-G167 PolarHBondContact OH-O 3.12Å; D163-G167 CarbonylContact O-C 3.56Å; D163-G167 WeakPolarHBondContact O-CA 3.46Å; D163-G167 PolarHBondContact O-N 2.84Å; H164-G167 PolarHBondContact O-N 3.02Å
168K96.9Very high97.3Very high97 Ų9740.6 Ų40.642%0.42220%0.196SC..EExtended strand (participates in β ladder)trans-106.2146.3-177.7-68.7168.9-178.11450111.5I162 D163 E166I162-K168 WeakPolarHBondContact CA-O 3.3Å; D163-K168 HydrophobicContact CB-CB 4.26Å; D163-K168 PolarHBondContact N-O 3.06Å; D163-K168 PolarHBondContact O-N 3.07Å; E166-K168 VanDerWaalsContact C-N 3.3Å; E166-K168 HydrophobicContact CB-CD 3.9Å; E166-K168 HydrophobicContact CB-CG 4.07Å; E166-K168 PolarHBondContact O-N 3.31Å; E166-K168 IonicContact OE2-NZ 3.03Å; E166-K168 PolarHBondContact OE2-NZ 2.69Å
169L98.4Very high97.4Very high1 Ų135.6 Ų35.61%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-126.2142.2177-175.6151.6000110.6N91 Y134 E137 L138 V160 M161 I162N91-L169 HydrophobicContact CB-CD2 4.15Å; N91-L169 WeakPolarHBondContact CB-O 3.35Å; N91-L169 PolarHBondContact OD1-O 3.31Å; Y134-L169 HydrophobicContact CD1-CB 4.47Å; Y134-L169 HydrophobicContact CD1-CD1 4.08Å; Y134-L169 WeakPolarHBondContact O-CD1 3.42Å; E137-L169 HydrophobicContact CB-CB 4.07Å; E137-L169 HydrophobicContact CB-CD1 4.17Å; L138-L169 HydrophobicContact CB-CD1 4.23Å; V160-L169 HydrophobicContact CG1-CD1 3.46Å; V160-L169 VanDerWaalsContact CG1-CD1 3.46Å; V160-L169 HydrophobicContact CG1-CD2 4.07Å; V160-L169 HydrophobicContact CG1-CG 3.69Å; M161-L169 CarbonylContact O-C 3.28Å; M161-L169 WeakPolarHBondContact O-CA 3.34Å; I162-L169 HydrophobicContact CD1-CD1 4.41Å; I162-L169 HydrophobicContact CG1-CD1 4.18Å; I162-L169 HydrophobicContact CG1-CG 4.32Å
170R98.6Very high97.5Very high54 Ų5435.4 Ų35.420%0.20417%0.172CC..EExtended strand (participates in β ladder)trans-133127.5168.5-67.6-68-173.9-83.9-3.6111.1N91 I93 E112 V114 M161 I172N91-R170 CarbonylContact O-C 3.6Å; N91-R170 WeakPolarHBondContact O-CA 3.44Å; I93-R170 HydrophobicContact CD1-CB 4.3Å; I93-R170 HydrophobicContact CD1-CG 4.42Å; E112-R170 IonicContact OE1-NE 3.22Å; E112-R170 PolarHBondContact OE1-NE 3Å; E112-R170 VanDerWaalsContact OE1-NE 3.16Å; E112-R170 IonicContact OE2-NE 3.63Å; E112-R170 IonicContact OE2-NH2 2.78Å; V114-R170 HydrophobicContact CG1-CB 4.41Å; V114-R170 HydrophobicContact CG1-CG 4.18Å; V114-R170 HydrophobicContact CG2-CB 4.24Å; V114-R170 HydrophobicContact CG2-CG 3.81Å; M161-R170 HydrophobicContact CB-CB 4.39Å; M161-R170 PolarHBondContact N-O 3.46Å; M161-R170 PolarHBondContact O-N 2.79Å; R170-I172 HydrophobicContact CB-CG2 4.43Å
171L98.8Very high97.5Very high0 Ų036.2 Ų36.20%018%0.175CC..EExtended strand (participates in β ladder)trans-81.6122.6167.1-17759.8000109.4N91 I93 L138 A141 L142 N159 V160 W174N91-L171 PolarHBondContact O-N 3.19Å; I93-L171 PolarHBondContact N-O 3.28Å; L138-L171 HydrophobicContact CD1-CD1 4.15Å; L138-L171 HydrophobicContact CD1-CD2 4.44Å; A141-L171 HydrophobicContact CB-CB 4.11Å; A141-L171 HydrophobicContact CB-CD2 4.23Å; L142-L171 HydrophobicContact CD2-CD2 3.9Å; N159-L171 WeakPolarHBondContact O-CD1 3.27Å; V160-L171 HydrophobicContact CG2-CD1 4.23Å; L171-W174 HydrophobicContact CB-CZ2 4.38Å; L171-W174 HydrophobicContact CD2-CH2 3.93Å; L171-W174 HydrophobicContact CD2-CZ2 3.75Å; L171-W174 HydrophobicContact CG-CZ2 3.97Å; L171-W174 PolarHBondContact O-NE1 3.21Å
172I98Very high97.6Very high39 Ų3936.3 Ų36.320%0.218%0.178CC..  trans-118.6174.7-174.870.4156.7000112.3I93 H152 N159 M161 R170I93-I172 HydrophobicContact CB-CG2 4Å; I93-I172 HydrophobicContact CD1-CG2 4.08Å; I93-I172 HydrophobicContact CG1-CG2 4.15Å; I93-I172 HydrophobicContact CG2-CG2 4.43Å; H152-I172 PolarHBondContact NE2-O 2.85Å; N159-I172 HydrophobicContact CB-CG1 4.18Å; N159-I172 VanDerWaalsContact O-CG1 3.3Å; N159-I172 WeakPolarHBondContact O-CG1 3.21Å; N159-I172 PolarHBondContact O-N 3.42Å; M161-I172 HydrophobicContact CB-CG2 4.36Å; M161-I172 HydrophobicContact CE-CD1 3.7Å; M161-I172 HydrophobicContact CE-CG1 4.44Å; M161-I172 HydrophobicContact CG-CD1 3.89Å; M161-I172 HydrophobicContact CG-CG1 4.13Å; M161-I172 HydrophobicContact CG-CG2 3.59Å; M161-I172 HydrophobicContact SD-CD1 4.19Å; R170-I172 HydrophobicContact CB-CG2 4.43Å
173D96.3Very high97.5Very high53 Ų5338 Ų3828%0.28320%0.196SC..  trans6164.9174.1-160.512.8000115.5K66 G175K66-D173 IonicContact NZ-OD1 3.99Å; K66-D173 PolarHBondContact NZ-OD1 3.1Å; D173-G175 PolarHBondContact O-N 3.19Å; D173-G175 VanDerWaalsContact O-N 3.13Å
174W98.1Very high97.5Very high1 Ų140.7 Ų40.70%0.00421%0.211CC..G310 helixtrans-76.611.1177.1-62.981.1000114I82 L83 L86 V92 C145 I150 H152 L171 L176 A177I82-W174 HydrophobicContact CG2-CB 4.15Å; I82-W174 HydrophobicContact CG2-CD2 4.22Å; I82-W174 HydrophobicContact CG2-CE3 3.71Å; I82-W174 HydrophobicContact CG2-CG 4.42Å; L83-W174 HydrophobicContact CD2-CB 4.21Å; L83-W174 VanDerWaalsContact CD2-CD1 3.47Å; L83-W174 HydrophobicContact CD2-CG 3.89Å; L83-W174 HydrophobicContact CG-CB 4.25Å; L83-W174 HydrophobicContact CG-CG 4.43Å; L86-W174 HydrophobicContact CD1-CD2 3.9Å; L86-W174 HydrophobicContact CD1-CE3 3.47Å; L86-W174 VanDerWaalsContact CD1-CE3 3.47Å; L86-W174 HydrophobicContact CD1-CH2 3.46Å; L86-W174 VanDerWaalsContact CD1-CH2 3.46Å; L86-W174 HydrophobicContact CD1-CZ2 3.86Å; L86-W174 HydrophobicContact CD1-CZ3 3.24Å; V92-W174 HydrophobicContact CB-CZ2 4.35Å; V92-W174 HydrophobicContact CG1-CZ2 3.63Å; V92-W174 HydrophobicContact CG2-CH2 4.44Å; V92-W174 HydrophobicContact CG2-CZ2 3.93Å; C145-W174 HydrophobicContact CB-CH2 3.45Å; C145-W174 VanDerWaalsContact CB-CH2 3.45Å; C145-W174 HydrophobicContact CB-CZ3 3.73Å; I150-W174 HydrophobicContact CG2-CE3 4.23Å; I150-W174 HydrophobicContact CG2-CZ3 3.95Å; H152-W174 HydrophobicContact CB-CZ3 4.24Å; H152-W174 AromaticContact CD2-CD2 3.7Å; H152-W174 AromaticContact CD2-CE2 3.8Å; H152-W174 AromaticContact CD2-CE3 3.64Å; H152-W174 AromaticContact CD2-CH2 3.79Å; H152-W174 AromaticContact CD2-CZ2 3.87Å; H152-W174 AromaticContact CD2-CZ3 3.68Å; L171-W174 HydrophobicContact CB-CZ2 4.38Å; L171-W174 HydrophobicContact CD2-CH2 3.93Å; L171-W174 HydrophobicContact CD2-CZ2 3.75Å; L171-W174 HydrophobicContact CG-CZ2 3.97Å; L171-W174 PolarHBondContact O-NE1 3.21Å; W174-L176 PolarHBondContact O-N 3.05Å; W174-A177 HydrophobicContact CB-CB 4.26Å; W174-A177 HydrophobicContact CE3-CB 3.75Å; W174-A177 VanDerWaalsContact O-CB 3.27Å; W174-A177 WeakPolarHBondContact O-CB 3.31Å; W174-A177 PolarHBondContact O-N 3.04Å
175G96.9Very high97.6Very high4 Ų443.6 Ų43.64%0.04122%0.224CC..G310 helixtrans-67.3-17.8-176.500000114.6K75 R78 E79 D173K75-G175 PolarHBondContact NZ-O 3.45Å; R78-G175 PolarHBondContact NH2-O 2.89Å; R78-G175 VanDerWaalsContact NH2-O 3.17Å; E79-G175 VanDerWaalsContact OE2-CA 3.28Å; E79-G175 WeakPolarHBondContact OE2-CA 3.29Å; D173-G175 PolarHBondContact O-N 3.19Å; D173-G175 VanDerWaalsContact O-N 3.13Å
176L97.5Very high97.7Very high29 Ų2936 Ų3615%0.15219%0.188CC..G310 helixtrans-101.6-7.2172.7-69.8177.7000113.7H152 R153 D154 W174H152-L176 CarbonylContact O-C 3.46Å; R153-L176 PolarHBondContact NE-O 3.14Å; R153-L176 PolarHBondContact NH2-O 3.22Å; D154-L176 HydrophobicContact CB-CB 4.21Å; D154-L176 HydrophobicContact CB-CD1 3.77Å; W174-L176 PolarHBondContact O-N 3.05Å
177A98.7Very high97.9Very high0 Ų034.9 Ų34.90%019%0.186CC..  trans-61.4162179.700000112.7R78 I82 I150 M151 H152 W174R78-A177 WeakPolarHBondContact CD-O 3.41Å; R78-A177 PolarHBondContact NE-O 3.09Å; I82-A177 HydrophobicContact CD1-CB 3.66Å; I82-A177 HydrophobicContact CG2-CB 4.18Å; I150-A177 HydrophobicContact CG2-CB 4.17Å; M151-A177 CarbonylContact O-C 3.53Å; M151-A177 WeakPolarHBondContact O-CA 3.33Å; M151-A177 VanDerWaalsContact O-CB 3.23Å; M151-A177 WeakPolarHBondContact O-CB 3.44Å; H152-A177 VanDerWaalsContact O-CA 3.31Å; H152-A177 WeakPolarHBondContact O-CA 3.24Å; H152-A177 PolarHBondContact O-N 3.48Å; W174-A177 HydrophobicContact CB-CB 4.26Å; W174-A177 HydrophobicContact CE3-CB 3.75Å; W174-A177 VanDerWaalsContact O-CB 3.27Å; W174-A177 WeakPolarHBondContact O-CB 3.31Å; W174-A177 PolarHBondContact O-N 3.04Å
178E98.8Very high98Very high20 Ų2034.5 Ų34.59%0.09318%0.181CC..EExtended strand (participates in β ladder)trans-152.3153.2179.3-161.162.5-10100111.9Y24 R78 I150 M151 R153 Y186Y24-E178 VanDerWaalsContact CE1-OE1 3.23Å; Y24-E178 WeakPolarHBondContact CE1-OE1 3.46Å; Y24-E178 PolarHBondContact OH-OE1 2.71Å; Y24-E178 VanDerWaalsContact OH-OE1 3.07Å; R78-E178 WeakPolarHBondContact CD-OE1 3.39Å; R78-E178 WeakPolarHBondContact CD-OE2 3.36Å; R78-E178 IonicContact CZ-OE2 3.91Å; R78-E178 IonicContact NE-OE2 2.74Å; R78-E178 IonicContact NH1-OE2 2.78Å; R78-E178 PolarHBondContact NH1-OE2 3.37Å; I150-E178 CarbonylContact C-O 3.55Å; I150-E178 WeakPolarHBondContact CA-O 3.27Å; M151-E178 HydrophobicContact CE-CB 4.32Å; M151-E178 PolarHBondContact N-O 3.04Å; M151-E178 PolarHBondContact O-N 2.85Å; R153-E178 VanDerWaalsContact CZ-CB 3.49Å; R153-E178 IonicContact CZ-OE2 3.51Å; R153-E178 IonicContact NH2-OE2 3.19Å; R153-E178 PolarHBondContact NH2-OE2 3.18Å; R153-E178 VanDerWaalsContact NH2-OE2 3.14Å; E178-Y186 HydrophobicContact CG-CD1 3.95Å; E178-Y186 HydrophobicContact CG-CE1 3.76Å
179F98.8Very high98Very high3 Ų340.5 Ų40.51%0.01320%0.201CC..EExtended strand (participates in β ladder)trans-73.7131.3166.2-65.4-83.5000110.7Y21 W22 Y24 K81 I82 N85 G149 I150 Y186Y21-F179 HydrophobicContact CD1-CE1 4.1Å; Y21-F179 HydrophobicContact CE1-CD1 4.32Å; Y21-F179 AromaticContact CE1-CE1 3.83Å; Y21-F179 HydrophobicContact CE1-CE1 3.83Å; W22-F179 HydrophobicContact CB-CB 4.19Å; W22-F179 HydrophobicContact CB-CD1 3.74Å; W22-F179 HydrophobicContact CB-CD2 4.31Å; W22-F179 HydrophobicContact CB-CE1 4.18Å; W22-F179 HydrophobicContact CB-CG 3.81Å; Y24-F179 AromaticContact CD1-CD2 3.68Å; Y24-F179 HydrophobicContact CD1-CD2 3.68Å; Y24-F179 AromaticContact CD1-CE2 3.76Å; Y24-F179 HydrophobicContact CD1-CE2 3.76Å; Y24-F179 HydrophobicContact CE1-CD2 4.04Å; K81-F179 HydrophobicContact CG-CE2 4.47Å; K81-F179 HydrophobicContact CG-CZ 4.21Å; I82-F179 HydrophobicContact CD1-CD2 4.42Å; I82-F179 HydrophobicContact CD1-CE2 4.15Å; I82-F179 HydrophobicContact CG1-CD2 4.23Å; I82-F179 HydrophobicContact CG1-CE1 4.42Å; I82-F179 HydrophobicContact CG1-CE2 3.53Å; I82-F179 HydrophobicContact CG1-CZ 3.64Å; N85-F179 WeakPolarHBondContact ND2-CE1 3.42Å; N85-F179 WeakPolarHBondContact ND2-CZ 3.46Å; G149-F179 CarbonylContact O-C 3.59Å; G149-F179 WeakPolarHBondContact O-CA 3.34Å; I150-F179 HydrophobicContact CD1-CD1 4.32Å; I150-F179 HydrophobicContact CD1-CE1 3.77Å; I150-F179 HydrophobicContact CD1-CZ 4.33Å; I150-F179 HydrophobicContact CG1-CD1 3.71Å; I150-F179 HydrophobicContact CG1-CE1 3.69Å; I150-F179 HydrophobicContact CG1-CG 4.47Å; I150-F179 HydrophobicContact CG1-CZ 4.43Å; F179-Y186 PolarHBondContact O-OH 3.06Å
180Y98.8Very high98Very high4 Ų440.7 Ų40.72%0.01620%0.202CC..  trans-83134.7173.5177.6-96000111.2R6 S7 A11 N14 G149 M151 P182 Y186 D208 Y209R6-Y180 WeakPolarHBondContact CA-OH 3.36Å; S7-Y180 PolarHBondContact N-OH 3.32Å; A11-Y180 HydrophobicContact CB-CE1 4.35Å; A11-Y180 WeakPolarHBondContact O-CE1 3.48Å; N14-Y180 PolarHBondContact ND2-N 3.27Å; N14-Y180 PolarHBondContact ND2-O 3.02Å; G149-Y180 PolarHBondContact O-N 3.37Å; M151-Y180 HydrophobicContact CE-CD2 4.11Å; M151-Y180 HydrophobicContact SD-CD2 4.2Å; Y180-P182 HydrophobicContact CE1-CB 4.4Å; Y180-Y186 VanDerWaalsContact CA-OH 3.27Å; Y180-Y186 WeakPolarHBondContact CA-OH 3.31Å; Y180-Y186 HydrophobicContact CD2-CE2 4.08Å; Y180-Y186 HydrophobicContact CE2-CE2 4.34Å; Y180-D208 HydrophobicContact CD2-CB 3.87Å; Y180-D208 HydrophobicContact CE2-CB 3.44Å; Y180-D208 VanDerWaalsContact CE2-CB 3.44Å; Y180-Y209 VanDerWaalsContact CB-CE1 3.44Å; Y180-Y209 VanDerWaalsContact CB-CZ 3.44Å; Y180-Y209 WeakPolarHBondContact CB-OH 3.44Å; Y180-Y209 HydrophobicContact CD1-CE1 4.44Å; Y180-Y209 AromaticContact CD1-CE2 3.81Å; Y180-Y209 HydrophobicContact CD1-CE2 3.81Å; Y180-Y209 AromaticContact CD1-CZ 3.59Å; Y180-Y209 VanDerWaalsContact CD1-OH 3.25Å; Y180-Y209 WeakPolarHBondContact CD1-OH 2.96Å; Y180-Y209 HydrophobicContact CE1-CE2 4.37Å; Y180-Y209 HydrophobicContact CG-CE1 4.01Å; Y180-Y209 HydrophobicContact CG-CE2 4Å; Y180-Y209 AromaticContact CG-CZ 3.59Å
181H98.6Very high97.9Very high22 Ų2238.8 Ų38.810%0.10220%0.198CC..  trans-137.8132.6174.1-67.8-76.8000107.3N14 W22 G183 D184 Y186N14-H181 VanDerWaalsContact CB-CE1 3.48Å; N14-H181 WeakPolarHBondContact CB-CE1 3.38Å; W22-H181 AromaticContact CD2-CE1 3.48Å; W22-H181 VanDerWaalsContact CD2-CE1 3.48Å; W22-H181 AromaticContact CD2-NE2 3.74Å; W22-H181 AromaticContact CE2-CE1 3.9Å; W22-H181 AromaticContact CE3-CE1 3.79Å; W22-H181 AromaticContact CE3-NE2 3.68Å; W22-H181 AromaticContact CG-CE1 3.61Å; W22-H181 AromaticContact CG-NE2 3.86Å; H181-G183 PolarHBondContact O-N 3.03Å; H181-D184 HydrophobicContact CB-CB 4.23Å; H181-D184 WeakPolarHBondContact CB-OD2 3.46Å; H181-D184 IonicContact CD2-OD2 3.94Å; H181-D184 IonicContact CG-OD2 2.71Å; H181-D184 PolarHBondContact O-N 2.94Å; H181-Y186 PolarHBondContact N-OH 3.35Å; H181-Y186 PolarHBondContact O-OH 3.2Å
182P98Very high97.8Very high37 Ų3740.5 Ų40.524%0.2421%0.21CC..THydrogen-bonded Turntrans-68127.9-176.928.3-32.7000110.2R6 A11 L15 Y180R6-P182 HydrophobicContact CG-CB 4Å; A11-P182 WeakPolarHBondContact O-CD 3.31Å; L15-P182 HydrophobicContact CD1-CG 3.74Å; L15-P182 HydrophobicContact CG-CG 4.45Å; Y180-P182 HydrophobicContact CE1-CB 4.4Å
183G96.6Very high97.8Very high38 Ų3843 Ų4339%0.39222%0.217SC..THydrogen-bonded Turntrans90.3-6.9-179.600000115.3H181 Y206H181-G183 PolarHBondContact O-N 3.03Å; G183-Y206 WeakPolarHBondContact O-CE1 3.42Å
184D97.7Very high97.9Very high80 Ų8043.6 Ų43.643%0.42822%0.216SC..  trans-71.8143.5175.5-84.713.3000111.8H181 Y186H181-D184 HydrophobicContact CB-CB 4.23Å; H181-D184 WeakPolarHBondContact CB-OD2 3.46Å; H181-D184 IonicContact CD2-OD2 3.94Å; H181-D184 IonicContact CG-OD2 2.71Å; H181-D184 PolarHBondContact O-N 2.94Å; D184-Y186 HydrophobicContact CB-CE1 4.23Å; D184-Y186 HydrophobicContact CB-CE2 4.1Å
185E98Very high98Very high125 Ų12544.5 Ų44.558%0.58422%0.22SC*.  trans-90.4126.3170.1-71.5-179.7-16400110.7H205 Y206E185-H205 HydrophobicContact CB-CB 3.97Å; E185-H205 HydrophobicContact CG-CB 4.04Å; E185-Y206 HydrophobicContact CB-CE1 4.48Å; E185-Y206 HydrophobicContact CG-CD1 3.91Å; E185-Y206 HydrophobicContact CG-CE1 3.26Å; E185-Y206 HydrophobicContact CG-CE2 4.48Å; E185-Y206 PolarHBondContact OE1-OH 3.4Å
186Y98.3Very high98Very high14 Ų1445 Ų456%0.05522%0.22CC..  trans-106.6148.8179-61-71.9000112.5M151 E178 F179 Y180 H181 D184 V188 H205 Y207M151-Y186 HydrophobicContact CE-CD1 4.13Å; M151-Y186 HydrophobicContact CE-CD2 4.05Å; M151-Y186 HydrophobicContact CE-CE1 3.87Å; M151-Y186 HydrophobicContact CE-CE2 3.79Å; M151-Y186 HydrophobicContact CE-CG 4.22Å; E178-Y186 HydrophobicContact CG-CD1 3.95Å; E178-Y186 HydrophobicContact CG-CE1 3.76Å; F179-Y186 PolarHBondContact O-OH 3.06Å; Y180-Y186 VanDerWaalsContact CA-OH 3.27Å; Y180-Y186 WeakPolarHBondContact CA-OH 3.31Å; Y180-Y186 HydrophobicContact CD2-CE2 4.08Å; Y180-Y186 HydrophobicContact CE2-CE2 4.34Å; H181-Y186 PolarHBondContact N-OH 3.35Å; H181-Y186 PolarHBondContact O-OH 3.2Å; D184-Y186 HydrophobicContact CB-CE1 4.23Å; D184-Y186 HydrophobicContact CB-CE2 4.1Å; Y186-V188 PolarHBondContact O-N 3.08Å; Y186-H205 PolarHBondContact N-O 2.99Å; Y186-H205 PolarHBondContact O-ND1 3.44Å; Y186-Y207 VanDerWaalsContact CB-CE1 3.44Å; Y186-Y207 VanDerWaalsContact CB-OH 3.3Å; Y186-Y207 WeakPolarHBondContact CB-OH 3.41Å; Y186-Y207 HydrophobicContact CD2-CD2 4.44Å; Y186-Y207 HydrophobicContact CD2-CE2 4.35Å; Y186-Y207 WeakPolarHBondContact CD2-O 3.45Å; Y186-Y207 WeakPolarHBondContact CE2-O 3.35Å; Y186-Y207 HydrophobicContact CG-CE2 4.23Å
187N97.9Very high98.1Very high94 Ų9443.6 Ų43.650%0.50321%0.213SC..  trans-65.7126.2175.1-170.6-31000110.8R189 V190 Y207N187-R189 VanDerWaalsContact C-N 3.33Å; N187-R189 PolarHBondContact O-N 2.89Å; N187-R189 WeakPolarHBondContact OD1-CA 3.23Å; N187-R189 VanDerWaalsContact OD1-CB 3.24Å; N187-R189 WeakPolarHBondContact OD1-CB 3.33Å; N187-R189 PolarHBondContact OD1-N 3.32Å; N187-V190 WeakPolarHBondContact O-CG1 3.36Å; N187-Y207 PolarHBondContact O-OH 3.38Å
188V98.2Very high98.1Very high10 Ų1043.6 Ų43.66%0.06121%0.213CC..SBendtrans-80.4-10.7179.3-60.90000114.4Y186 V190 K196 L200 D203 Y207Y186-V188 PolarHBondContact O-N 3.08Å; V188-V190 PolarHBondContact O-N 3.47Å; V188-K196 PolarHBondContact O-NZ 3.09Å; V188-L200 HydrophobicContact CB-CB 4.37Å; V188-L200 HydrophobicContact CB-CD2 4.11Å; V188-L200 HydrophobicContact CG1-CD2 4.28Å; V188-D203 WeakPolarHBondContact CG2-OD1 3.27Å; V188-Y207 HydrophobicContact CG1-CE1 4.26Å
189R97.3Very high98.1Very high222 Ų22242.6 Ų42.684%0.83821%0.209SC*.  trans-80.944.4178.6-55.6-178.2-175.91563111.9N187N187-R189 VanDerWaalsContact C-N 3.33Å; N187-R189 PolarHBondContact O-N 2.89Å; N187-R189 WeakPolarHBondContact OD1-CA 3.23Å; N187-R189 VanDerWaalsContact OD1-CB 3.24Å; N187-R189 WeakPolarHBondContact OD1-CB 3.33Å; N187-R189 PolarHBondContact OD1-N 3.32Å
190V97.4Very high98.1Very high6 Ų642.9 Ų42.94%0.03621%0.21CC..  trans-113.7173.8174.6-62.10000110.2R153 N187 V188 K196 L200 L211R153-V190 HydrophobicContact CB-CB 4.2Å; R153-V190 HydrophobicContact CB-CG2 4.15Å; N187-V190 WeakPolarHBondContact O-CG1 3.36Å; V188-V190 PolarHBondContact O-N 3.47Å; V190-K196 PolarHBondContact O-NZ 3.47Å; V190-L200 HydrophobicContact CG2-CD1 3.8Å; V190-L200 HydrophobicContact CG2-CD2 4Å; V190-L211 HydrophobicContact CG2-CD2 4.25Å
191A96.9Very high98.1Very high14 Ų1443.5 Ų43.512%0.11621%0.213CC..SBendtrans59.5156.8-174.400000116R153 D154 K196 L200R153-A191 VanDerWaalsContact O-CA 3.24Å; R153-A191 WeakPolarHBondContact O-CA 3.26Å; R153-A191 WeakPolarHBondContact O-CB 3.2Å; R153-A191 PolarHBondContact O-N 2.87Å; D154-A191 WeakPolarHBondContact OD1-CA 3.47Å; A191-K196 HydrophobicContact CB-CG 4.16Å; A191-L200 HydrophobicContact CB-CD1 4.05Å
192S96.6Very high98.1Very high36 Ų3642.7 Ų42.725%0.25221%0.21SC..  trans-79.5143.4171.1-57.70000110.6D154 K156 Y194 F195 K196D154-S192 PolarHBondContact OD1-N 3.49Å; D154-S192 PolarHBondContact OD1-OG 3.13Å; K156-S192 WeakPolarHBondContact CD-OG 3.43Å; K156-S192 PolarHBondContact NZ-OG 3.15Å; S192-Y194 VanDerWaalsContact C-N 3.32Å; S192-Y194 PolarHBondContact O-N 3.38Å; S192-Y194 VanDerWaalsContact O-N 3.08Å; S192-F195 PolarHBondContact O-N 3.3Å; S192-K196 PolarHBondContact O-N 3.13Å
193R98.4Very high98.1Very high90 Ų9045.6 Ų45.634%0.3422%0.224SC..G310 helixtrans-43.7-51.6-167.8-173.5-167.8-60.6147.3-2.7114.3F195 K196 G233 H234 D235 Q239R193-F195 PolarHBondContact O-N 3.43Å; R193-F195 VanDerWaalsContact O-N 3.15Å; R193-K196 WeakPolarHBondContact O-CB 3.2Å; R193-K196 PolarHBondContact O-N 3.17Å; R193-G233 WeakPolarHBondContact CD-O 3.35Å; R193-G233 PolarHBondContact NH1-O 3.28Å; R193-G233 VanDerWaalsContact NH1-O 3.1Å; R193-H234 PolarHBondContact NH1-O 3.43Å; R193-H234 PolarHBondContact NH2-O 3.29Å; R193-D235 WeakPolarHBondContact CD-O 3.43Å; R193-Q239 HydrophobicContact CG-CB 4.17Å; R193-Q239 HydrophobicContact CG-CG 4.23Å; R193-Q239 WeakPolarHBondContact O-CG 3.41Å
194Y98.7Very high98.2Very high67 Ų6744 Ų4426%0.26321%0.206SC..G310 helixtrans-68.4-12.5-174.1-51.9-40.1000114.8S192 P229 F231 H232 G233S192-Y194 VanDerWaalsContact C-N 3.32Å; S192-Y194 PolarHBondContact O-N 3.38Å; S192-Y194 VanDerWaalsContact O-N 3.08Å; Y194-P229 HydrophobicContact CD1-CB 4.24Å; Y194-P229 HydrophobicContact CD1-CG 3.9Å; Y194-P229 HydrophobicContact CD2-CB 3.61Å; Y194-P229 HydrophobicContact CD2-CG 3.52Å; Y194-P229 HydrophobicContact CE1-CG 4.1Å; Y194-P229 HydrophobicContact CE2-CB 4.3Å; Y194-P229 HydrophobicContact CE2-CG 3.71Å; Y194-P229 HydrophobicContact CG-CB 3.56Å; Y194-P229 HydrophobicContact CG-CG 3.62Å; Y194-F231 WeakPolarHBondContact CD1-O 3.36Å; Y194-H232 AromaticContact CE1-CD2 3.57Å; Y194-H232 AromaticContact CZ-CD2 3.57Å; Y194-H232 AromaticContact CZ-NE2 3.79Å; Y194-H232 PolarHBondContact OH-CD2 2.99Å; Y194-H232 PolarHBondContact OH-NE2 3.2Å; Y194-G233 WeakPolarHBondContact CE1-O 3.34Å
195F98.7Very high98.2Very high20 Ų2042.8 Ų42.89%0.08820%0.198CC..G310 helixtrans-114.73.2-178.3-55-83.6000111.8K156 P157 S192 R193 G197 S215 C218 M219K156-F195 HydrophobicContact CB-CD1 4.29Å; K156-F195 HydrophobicContact CB-CD2 3.64Å; K156-F195 HydrophobicContact CB-CE1 4.33Å; K156-F195 HydrophobicContact CB-CE2 3.68Å; K156-F195 HydrophobicContact CB-CG 3.97Å; K156-F195 HydrophobicContact CB-CZ 4.05Å; P157-F195 HydrophobicContact CG-CE1 4.37Å; P157-F195 HydrophobicContact CG-CZ 3.99Å; S192-F195 PolarHBondContact O-N 3.3Å; R193-F195 PolarHBondContact O-N 3.43Å; R193-F195 VanDerWaalsContact O-N 3.15Å; F195-G197 PolarHBondContact O-N 3.18Å; F195-S215 PolarHBondContact O-OG 3.12Å; F195-S215 VanDerWaalsContact O-OG 3.05Å; F195-C218 HydrophobicContact CD1-CB 3.8Å; F195-C218 HydrophobicContact CE1-CB 4.22Å; F195-M219 HydrophobicContact CD1-CG 4.06Å; F195-M219 HydrophobicContact CE1-CG 3.61Å
196K98.9Very high98.2Very high13 Ų1338.4 Ų38.46%0.05718%0.176CC..  trans-65.5124.9176.1-73.9179.8170.3-72.30110.1V188 V190 A191 S192 R193 L200 L201 W214V188-K196 PolarHBondContact O-NZ 3.09Å; V190-K196 PolarHBondContact O-NZ 3.47Å; A191-K196 HydrophobicContact CB-CG 4.16Å; S192-K196 PolarHBondContact O-N 3.13Å; R193-K196 WeakPolarHBondContact O-CB 3.2Å; R193-K196 PolarHBondContact O-N 3.17Å; K196-L200 HydrophobicContact CB-CB 4.35Å; K196-L200 HydrophobicContact CB-CD1 4.19Å; K196-L200 HydrophobicContact CG-CD1 4.04Å; K196-L201 HydrophobicContact CB-CD1 4.5Å; K196-L201 HydrophobicContact CB-CD2 3.84Å; K196-L201 HydrophobicContact CB-CG 4.11Å; K196-L201 HydrophobicContact CD-CD2 3.66Å; K196-L201 HydrophobicContact CG-CD2 4.42Å; K196-W214 PolarHBondContact O-NE1 3.47Å
197G98.8Very high98.2Very high0 Ų037.8 Ų37.80%017%0.174CC..  trans-62150.7166.500000111.8F195 E199 L200 L201F195-G197 PolarHBondContact O-N 3.18Å; G197-E199 VanDerWaalsContact CA-OE2 3.29Å; G197-E199 WeakPolarHBondContact CA-OE2 3.17Å; G197-E199 PolarHBondContact O-N 3.07Å; G197-L200 WeakPolarHBondContact O-CB 3.29Å; G197-L200 PolarHBondContact O-N 3.28Å; G197-L201 PolarHBondContact O-N 3.23Å
198P98.8Very high98.3Very high0 Ų033.5 Ų33.50%015%0.151CC..Hα-helixtrans-48.6-39.5175.2-30.637.2000113.2L200 L201 V202 W214 L240 Y305P198-L200 PolarHBondContact O-N 3.02Å; P198-L200 VanDerWaalsContact O-N 3.16Å; P198-L201 WeakPolarHBondContact O-CA 3.43Å; P198-L201 WeakPolarHBondContact O-CB 3.28Å; P198-L201 PolarHBondContact O-N 2.99Å; P198-V202 WeakPolarHBondContact O-CG2 3.36Å; P198-V202 PolarHBondContact O-N 3.21Å; P198-W214 HydrophobicContact CG-CD2 4.45Å; P198-W214 HydrophobicContact CG-CE3 4.16Å; P198-W214 HydrophobicContact CG-CH2 3.7Å; P198-W214 HydrophobicContact CG-CZ2 4.03Å; P198-W214 HydrophobicContact CG-CZ3 3.77Å; P198-L240 HydrophobicContact CB-CD1 4.48Å; P198-Y305 HydrophobicContact CB-CD1 3.85Å; P198-Y305 HydrophobicContact CG-CD1 3.68Å; P198-Y305 HydrophobicContact CG-CE1 4.25Å
199E98.8Very high98.3Very high0 Ų033.2 Ų33.20%015%0.149CC..Hα-helixtrans-53.4-36.2176.661.7-89.7-13900112.6G197 D203 F204 Y207 L211 R310G197-E199 VanDerWaalsContact CA-OE2 3.29Å; G197-E199 WeakPolarHBondContact CA-OE2 3.17Å; G197-E199 PolarHBondContact O-N 3.07Å; E199-D203 PolarHBondContact O-N 3.28Å; E199-F204 HydrophobicContact CB-CB 4.15Å; E199-F204 HydrophobicContact CB-CD1 4.2Å; E199-F204 PolarHBondContact O-N 2.95Å; E199-Y207 HydrophobicContact CG-CG 4.38Å; E199-L211 HydrophobicContact CG-CD1 4.32Å; E199-L211 WeakPolarHBondContact OE1-CA 3.35Å; E199-L211 WeakPolarHBondContact OE1-CD1 3.5Å; E199-R310 IonicContact OE1-CZ 3.3Å; E199-R310 IonicContact OE1-NH1 3.12Å; E199-R310 PolarHBondContact OE1-NH1 3.06Å; E199-R310 IonicContact OE1-NH2 3.33Å; E199-R310 IonicContact OE2-CZ 3.08Å; E199-R310 IonicContact OE2-NH1 3.04Å; E199-R310 PolarHBondContact OE2-NH1 3.08Å; E199-R310 IonicContact OE2-NH2 3.94Å; E199-R310 PolarHBondContact OE2-NH2 3.38Å
200L98.8Very high98.4Very high9 Ų923.2 Ų23.25%0.04711%0.112CC..Hα-helixtrans-77.4-25.4177.9-53.3-173.2000112.8V188 V190 A191 K196 G197 P198 Y207 L211V188-L200 HydrophobicContact CB-CB 4.37Å; V188-L200 HydrophobicContact CB-CD2 4.11Å; V188-L200 HydrophobicContact CG1-CD2 4.28Å; V190-L200 HydrophobicContact CG2-CD1 3.8Å; V190-L200 HydrophobicContact CG2-CD2 4Å; A191-L200 HydrophobicContact CB-CD1 4.05Å; K196-L200 HydrophobicContact CB-CB 4.35Å; K196-L200 HydrophobicContact CB-CD1 4.19Å; K196-L200 HydrophobicContact CG-CD1 4.04Å; G197-L200 WeakPolarHBondContact O-CB 3.29Å; G197-L200 PolarHBondContact O-N 3.28Å; P198-L200 PolarHBondContact O-N 3.02Å; P198-L200 VanDerWaalsContact O-N 3.16Å; L200-Y207 HydrophobicContact CD2-CD1 3.86Å; L200-Y207 HydrophobicContact CD2-CE1 3.59Å; L200-Y207 HydrophobicContact CD2-CG 4.47Å; L200-L211 HydrophobicContact CD1-CD1 3.68Å; L200-L211 HydrophobicContact CD1-CD2 4.09Å; L200-L211 HydrophobicContact CD2-CD1 4.21Å; L200-L211 HydrophobicContact CD2-CD2 4.05Å; L200-L211 HydrophobicContact CG-CD1 3.75Å; L200-L211 HydrophobicContact CG-CD2 4.38Å
201L98.7Very high98.4Very high16 Ų1622.9 Ų22.98%0.08411%0.111CC..Hα-helixtrans-88.1-25.3-176.3-58.3175.8000111.9K196 G197 P198 N236 Q239 L240 I243K196-L201 HydrophobicContact CB-CD1 4.5Å; K196-L201 HydrophobicContact CB-CD2 3.84Å; K196-L201 HydrophobicContact CB-CG 4.11Å; K196-L201 HydrophobicContact CD-CD2 3.66Å; K196-L201 HydrophobicContact CG-CD2 4.42Å; G197-L201 PolarHBondContact O-N 3.23Å; P198-L201 WeakPolarHBondContact O-CA 3.43Å; P198-L201 WeakPolarHBondContact O-CB 3.28Å; P198-L201 PolarHBondContact O-N 2.99Å; L201-N236 HydrophobicContact CD2-CB 4.11Å; L201-Q239 HydrophobicContact CD1-CB 4.14Å; L201-Q239 HydrophobicContact CD1-CG 3.78Å; L201-Q239 HydrophobicContact CD2-CB 4.25Å; L201-Q239 HydrophobicContact CD2-CG 4.27Å; L201-L240 HydrophobicContact CB-CB 4.24Å; L201-L240 HydrophobicContact CB-CD1 4.35Å; L201-L240 HydrophobicContact CD1-CB 4.07Å; L201-L240 HydrophobicContact CD1-CD1 4.25Å; L201-I243 HydrophobicContact CD1-CD1 3.65Å
202V98.4Very high98.5Very high6 Ų622.2 Ų22.24%0.03611%0.105CC..THydrogen-bonded Turntrans-101.711.3176.1-52.10000113.2P198 F204 L240 Y255 L256 I261 L263P198-V202 WeakPolarHBondContact O-CG2 3.36Å; P198-V202 PolarHBondContact O-N 3.21Å; V202-F204 VanDerWaalsContact C-N 3.34Å; V202-F204 HydrophobicContact CG2-CB 4.2Å; V202-F204 PolarHBondContact O-N 2.93Å; V202-L240 HydrophobicContact CG1-CD1 4.4Å; V202-L240 HydrophobicContact CG1-CD2 3.65Å; V202-Y255 HydrophobicContact CG2-CE1 4Å; V202-L256 HydrophobicContact CB-CD2 3.99Å; V202-L256 HydrophobicContact CG1-CD2 4Å; V202-L256 HydrophobicContact CG2-CD2 4.12Å; V202-I261 HydrophobicContact CB-CG2 4.1Å; V202-I261 HydrophobicContact CG2-CD1 4.01Å; V202-I261 HydrophobicContact CG2-CG2 3.94Å; V202-I261 WeakPolarHBondContact O-CG2 3.24Å; V202-L263 HydrophobicContact CB-CD1 4.13Å; V202-L263 HydrophobicContact CG1-CD1 3.78Å
203D97.9Very high98.6Very high98 Ų9820.6 Ų20.652%0.5249%0.093SC..THydrogen-bonded Turntrans60.836.1177.2-145.627.4000114.1V188 E199 H205V188-D203 WeakPolarHBondContact CG2-OD1 3.27Å; E199-D203 PolarHBondContact O-N 3.28Å; D203-H205 PolarHBondContact O-CD2 3.06Å; D203-H205 VanDerWaalsContact O-CD2 3.22Å; D203-H205 IonicContact OD1-CE1 3.86Å; D203-H205 IonicContact OD1-NE2 3.14Å; D203-H205 PolarHBondContact OD1-NE2 3.28Å; D203-H205 IonicContact OD2-NE2 2.62Å
204F98.3Very high98.7Very high3 Ų316.3 Ų16.31%0.0138%0.077CC..  trans-87.5111.9174.4-173.8-108.5000110.9A2 L3 E199 V202 Y206 Y207 Y259 I261 H307A2-F204 HydrophobicContact CB-CD2 4.1Å; A2-F204 HydrophobicContact CB-CE2 3.95Å; L3-F204 WeakPolarHBondContact O-CE2 3.22Å; L3-F204 WeakPolarHBondContact O-CZ 3.37Å; E199-F204 HydrophobicContact CB-CB 4.15Å; E199-F204 HydrophobicContact CB-CD1 4.2Å; E199-F204 PolarHBondContact O-N 2.95Å; V202-F204 VanDerWaalsContact C-N 3.34Å; V202-F204 HydrophobicContact CG2-CB 4.2Å; V202-F204 PolarHBondContact O-N 2.93Å; F204-Y206 WeakPolarHBondContact CE1-O 3.37Å; F204-Y206 HydrophobicContact CE2-CD2 4.12Å; F204-Y206 HydrophobicContact CZ-CD2 4.27Å; F204-Y207 WeakPolarHBondContact O-CD1 3.33Å; F204-Y259 HydrophobicContact CE1-CD1 4.5Å; F204-Y259 HydrophobicContact CE2-CD1 4.19Å; F204-Y259 HydrophobicContact CE2-CG 4.33Å; F204-Y259 AromaticContact CZ-CD1 3.76Å; F204-Y259 HydrophobicContact CZ-CD1 3.76Å; F204-Y259 HydrophobicContact CZ-CE1 4.44Å; F204-Y259 HydrophobicContact CZ-CG 4.22Å; F204-I261 HydrophobicContact CB-CD1 3.87Å; F204-I261 HydrophobicContact CB-CG1 4.42Å; F204-I261 HydrophobicContact CD2-CD1 3.66Å; F204-I261 HydrophobicContact CD2-CG1 3.68Å; F204-I261 HydrophobicContact CE2-CD1 4.39Å; F204-I261 HydrophobicContact CE2-CG1 4.33Å; F204-I261 HydrophobicContact CG-CD1 3.86Å; F204-I261 HydrophobicContact CG-CG1 4.34Å; F204-H307 AromaticContact CD1-CE1 3.99Å; F204-H307 AromaticContact CE1-CE1 3.39Å; F204-H307 WeakPolarHBondContact CE1-CE1 3.16Å; F204-H307 AromaticContact CE1-NE2 3.81Å
205H98.2Very high98.7Very high55 Ų5513.1 Ų13.126%0.2557%0.065SC..  trans-86.6-21.7-170-70-83.4000115.4E185 Y186 D203 Y207E185-H205 HydrophobicContact CB-CB 3.97Å; E185-H205 HydrophobicContact CG-CB 4.04Å; Y186-H205 PolarHBondContact N-O 2.99Å; Y186-H205 PolarHBondContact O-ND1 3.44Å; D203-H205 PolarHBondContact O-CD2 3.06Å; D203-H205 VanDerWaalsContact O-CD2 3.22Å; D203-H205 IonicContact OD1-CE1 3.86Å; D203-H205 IonicContact OD1-NE2 3.14Å; D203-H205 PolarHBondContact OD1-NE2 3.28Å; D203-H205 IonicContact OD2-NE2 2.62Å; H205-Y207 PolarHBondContact O-N 3.47Å; H205-Y207 VanDerWaalsContact O-N 3.08Å
206Y98.2Very high98.7Very high34 Ų3412.1 Ų12.113%0.1336%0.061CC..  trans-87.349.4-177.9-54.8-71.9000111.8V4 S5 G183 E185 F204V4-Y206 HydrophobicContact CG1-CD1 4.1Å; V4-Y206 HydrophobicContact CG1-CE1 4.44Å; V4-Y206 HydrophobicContact CG1-CG 4.37Å; V4-Y206 HydrophobicContact CG2-CD1 4.43Å; V4-Y206 HydrophobicContact CG2-CD2 4.49Å; V4-Y206 HydrophobicContact CG2-CE1 4.09Å; V4-Y206 HydrophobicContact CG2-CE2 4.15Å; S5-Y206 WeakPolarHBondContact CB-O 3.44Å; G183-Y206 WeakPolarHBondContact O-CE1 3.42Å; E185-Y206 HydrophobicContact CB-CE1 4.48Å; E185-Y206 HydrophobicContact CG-CD1 3.91Å; E185-Y206 HydrophobicContact CG-CE1 3.26Å; E185-Y206 HydrophobicContact CG-CE2 4.48Å; E185-Y206 PolarHBondContact OE1-OH 3.4Å; F204-Y206 WeakPolarHBondContact CE1-O 3.37Å; F204-Y206 HydrophobicContact CE2-CD2 4.12Å; F204-Y206 HydrophobicContact CZ-CD2 4.27Å
207Y98.6Very high98.7Very high0 Ų011.5 Ų11.50%06%0.058CC..  trans-89.4166178.966.2-103.3000112.3M151 R153 Y186 N187 V188 E199 L200 F204 H205 L211M151-Y207 HydrophobicContact CE-CE2 4.4Å; M151-Y207 HydrophobicContact SD-CD2 4.15Å; M151-Y207 HydrophobicContact SD-CE2 4.22Å; R153-Y207 WeakPolarHBondContact CD-OH 3.46Å; R153-Y207 PolarHBondContact NH1-OH 3.03Å; Y186-Y207 VanDerWaalsContact CB-CE1 3.44Å; Y186-Y207 VanDerWaalsContact CB-OH 3.3Å; Y186-Y207 WeakPolarHBondContact CB-OH 3.41Å; Y186-Y207 HydrophobicContact CD2-CD2 4.44Å; Y186-Y207 HydrophobicContact CD2-CE2 4.35Å; Y186-Y207 WeakPolarHBondContact CD2-O 3.45Å; Y186-Y207 WeakPolarHBondContact CE2-O 3.35Å; Y186-Y207 HydrophobicContact CG-CE2 4.23Å; N187-Y207 PolarHBondContact O-OH 3.38Å; V188-Y207 HydrophobicContact CG1-CE1 4.26Å; E199-Y207 HydrophobicContact CG-CG 4.38Å; L200-Y207 HydrophobicContact CD2-CD1 3.86Å; L200-Y207 HydrophobicContact CD2-CE1 3.59Å; L200-Y207 HydrophobicContact CD2-CG 4.47Å; F204-Y207 WeakPolarHBondContact O-CD1 3.33Å; H205-Y207 PolarHBondContact O-N 3.47Å; H205-Y207 VanDerWaalsContact O-N 3.08Å; Y207-L211 HydrophobicContact CD2-CB 4.35Å; Y207-L211 HydrophobicContact CD2-CD2 3.87Å; Y207-L211 HydrophobicContact CE2-CD2 3.66Å
208D98.9Very high98.7Very high5 Ų511.7 Ų11.73%0.0276%0.059CC..  trans-138.9-163.6-175.663.554.5000112.4S7 M151 Y180 S210 L211 H307 Q308S7-D208 WeakPolarHBondContact CA-OD2 3.23Å; M151-D208 WeakPolarHBondContact SD-CA 3.49Å; Y180-D208 HydrophobicContact CD2-CB 3.87Å; Y180-D208 HydrophobicContact CE2-CB 3.44Å; Y180-D208 VanDerWaalsContact CE2-CB 3.44Å; D208-S210 PolarHBondContact O-N 2.87Å; D208-S210 WeakPolarHBondContact OD1-CB 3.43Å; D208-S210 PolarHBondContact OD1-N 3.3Å; D208-S210 PolarHBondContact OD1-OG 3.5Å; D208-L211 WeakPolarHBondContact O-CB 3.49Å; D208-L211 PolarHBondContact O-N 3.4Å; D208-L211 VanDerWaalsContact O-N 3.08Å; D208-H307 IonicContact OD2-CD2 2.64Å; D208-Q308 PolarHBondContact OD2-NE2 2.75Å; D208-Q308 VanDerWaalsContact OD2-NE2 3.09Å
209Y98.9Very high98.7Very high4 Ų411.8 Ų11.82%0.0166%0.059CC..THydrogen-bonded Turntrans-51.2-28179.9-45.4-68.3000114.5S7 V9 Y10 H146 G149 M151 Y180 L211 D212S7-Y209 WeakPolarHBondContact OG-CD2 3.49Å; S7-Y209 WeakPolarHBondContact OG-CE2 3.37Å; V9-Y209 VanDerWaalsContact O-CE2 3.24Å; V9-Y209 WeakPolarHBondContact O-CE2 3.23Å; Y10-Y209 PolarHBondContact O-OH 2.75Å; H146-Y209 HydrophobicContact CB-CD1 3.99Å; H146-Y209 HydrophobicContact CB-CG 4.09Å; H146-Y209 AromaticContact CD2-CD1 3.7Å; H146-Y209 PolarHBondContact CE1-O 2.76Å; H146-Y209 AromaticContact CG-CD1 3.92Å; H146-Y209 AromaticContact CG-CG 3.94Å; G149-Y209 WeakPolarHBondContact CA-OH 3.44Å; M151-Y209 HydrophobicContact CG-CD1 3.49Å; M151-Y209 VanDerWaalsContact CG-CD1 3.49Å; M151-Y209 HydrophobicContact CG-CE1 4.03Å; M151-Y209 HydrophobicContact CG-CG 4.25Å; Y180-Y209 VanDerWaalsContact CB-CE1 3.44Å; Y180-Y209 VanDerWaalsContact CB-CZ 3.44Å; Y180-Y209 WeakPolarHBondContact CB-OH 3.44Å; Y180-Y209 HydrophobicContact CD1-CE1 4.44Å; Y180-Y209 AromaticContact CD1-CE2 3.81Å; Y180-Y209 HydrophobicContact CD1-CE2 3.81Å; Y180-Y209 AromaticContact CD1-CZ 3.59Å; Y180-Y209 VanDerWaalsContact CD1-OH 3.25Å; Y180-Y209 WeakPolarHBondContact CD1-OH 2.96Å; Y180-Y209 HydrophobicContact CE1-CE2 4.37Å; Y180-Y209 HydrophobicContact CG-CE1 4.01Å; Y180-Y209 HydrophobicContact CG-CE2 4Å; Y180-Y209 AromaticContact CG-CZ 3.59Å; Y209-L211 PolarHBondContact O-N 3.25Å; Y209-L211 VanDerWaalsContact O-N 3.1Å; Y209-D212 WeakPolarHBondContact O-CB 3.42Å; Y209-D212 PolarHBondContact O-N 3.49Å
210S98.9Very high98.7Very high11 Ų1111.8 Ų11.88%0.0776%0.059CC..Hα-helixtrans-60.6-15.6177.358.20000114.3D208 D212 M213 W214 H307 R310D208-S210 PolarHBondContact O-N 2.87Å; D208-S210 WeakPolarHBondContact OD1-CB 3.43Å; D208-S210 PolarHBondContact OD1-N 3.3Å; D208-S210 PolarHBondContact OD1-OG 3.5Å; S210-D212 VanDerWaalsContact C-N 3.32Å; S210-M213 WeakPolarHBondContact O-CB 3.4Å; S210-M213 PolarHBondContact O-N 2.82Å; S210-W214 PolarHBondContact O-N 3.36Å; S210-W214 VanDerWaalsContact O-N 3.17Å; S210-H307 WeakPolarHBondContact CB-O 3.13Å; S210-H307 WeakPolarHBondContact OG-CB 3.39Å; S210-H307 PolarHBondContact OG-O 2.63Å; S210-R310 PolarHBondContact O-NH1 3.09Å
211L98.9Very high98.7Very high0 Ų011.3 Ų11.30%06%0.057CC..Hα-helixtrans-61.8-40.2169.5174.363000112R153 V190 E199 L200 Y207 D208 Y209 M213 W214 S215R153-L211 HydrophobicContact CB-CD2 4.26Å; R153-L211 HydrophobicContact CG-CD2 4.17Å; V190-L211 HydrophobicContact CG2-CD2 4.25Å; E199-L211 HydrophobicContact CG-CD1 4.32Å; E199-L211 WeakPolarHBondContact OE1-CA 3.35Å; E199-L211 WeakPolarHBondContact OE1-CD1 3.5Å; L200-L211 HydrophobicContact CD1-CD1 3.68Å; L200-L211 HydrophobicContact CD1-CD2 4.09Å; L200-L211 HydrophobicContact CD2-CD1 4.21Å; L200-L211 HydrophobicContact CD2-CD2 4.05Å; L200-L211 HydrophobicContact CG-CD1 3.75Å; L200-L211 HydrophobicContact CG-CD2 4.38Å; Y207-L211 HydrophobicContact CD2-CB 4.35Å; Y207-L211 HydrophobicContact CD2-CD2 3.87Å; Y207-L211 HydrophobicContact CE2-CD2 3.66Å; D208-L211 WeakPolarHBondContact O-CB 3.49Å; D208-L211 PolarHBondContact O-N 3.4Å; D208-L211 VanDerWaalsContact O-N 3.08Å; Y209-L211 PolarHBondContact O-N 3.25Å; Y209-L211 VanDerWaalsContact O-N 3.1Å; L211-M213 VanDerWaalsContact C-N 3.26Å; L211-M213 PolarHBondContact O-N 3.25Å; L211-W214 PolarHBondContact O-N 3.41Å; L211-S215 PolarHBondContact O-N 2.97Å; L211-S215 PolarHBondContact O-OG 3.23Å; L211-S215 VanDerWaalsContact O-OG 3.05Å
212D98.9Very high98.6Very high0 Ų011 Ų110%06%0.056CC..Hα-helixtrans-68-32.9178.1-65.7-34.1000110.8L142 H146 H152 R153 V155 Y209 S210 S215 L216L142-D212 HydrophobicContact CD1-CB 4.41Å; L142-D212 HydrophobicContact CD2-CB 4.06Å; H146-D212 IonicContact CD2-OD2 3.34Å; H146-D212 IonicContact CE1-OD2 3.75Å; H146-D212 IonicContact NE2-OD2 2.77Å; H146-D212 PolarHBondContact NE2-OD2 3.26Å; H152-D212 PolarHBondContact N-OD1 2.9Å; H152-D212 PolarHBondContact N-OD2 3.3Å; R153-D212 PolarHBondContact N-OD1 3.3Å; V155-D212 HydrophobicContact CG2-CB 4Å; Y209-D212 WeakPolarHBondContact O-CB 3.42Å; Y209-D212 PolarHBondContact O-N 3.49Å; S210-D212 VanDerWaalsContact C-N 3.32Å; D212-S215 WeakPolarHBondContact O-CB 3.24Å; D212-S215 PolarHBondContact O-N 3.43Å; D212-L216 PolarHBondContact O-N 3.23Å
213M98.9Very high98.6Very high1 Ų110.9 Ų10.91%0.0056%0.055CC..Hα-helixtrans-65.6-44176.7-60.4-55.1-60.100111.3L139 L142 S210 L211 S215 L216 G217 V302 M311 A313 A316L139-M213 HydrophobicContact CD2-CE 3.67Å; L139-M213 HydrophobicContact CD2-SD 4.27Å; L142-M213 HydrophobicContact CD1-SD 4.35Å; S210-M213 WeakPolarHBondContact O-CB 3.4Å; S210-M213 PolarHBondContact O-N 2.82Å; L211-M213 VanDerWaalsContact C-N 3.26Å; L211-M213 PolarHBondContact O-N 3.25Å; M213-S215 VanDerWaalsContact C-N 3.29Å; M213-S215 PolarHBondContact O-N 3.2Å; M213-L216 WeakPolarHBondContact O-CB 3.26Å; M213-L216 PolarHBondContact O-N 3.17Å; M213-G217 PolarHBondContact O-N 3.16Å; M213-V302 HydrophobicContact CB-CG1 4.41Å; M213-V302 WeakPolarHBondContact O-CG1 3.26Å; M213-M311 WeakPolarHBondContact CE-O 3.4Å; M213-M311 WeakPolarHBondContact CG-O 3.39Å; M213-A313 HydrophobicContact SD-CB 3.89Å; M213-A316 HydrophobicContact CE-CB 3.81Å
214W98.9Very high98.6Very high0 Ų06.2 Ų6.20%03%0.03CC..Hα-helixtrans-56.1-45.7172.2174.6-86.1000112.3K196 P198 S210 L211 L216 G217 C218 F231 I243 L247 L303 R304K196-W214 PolarHBondContact O-NE1 3.47Å; P198-W214 HydrophobicContact CG-CD2 4.45Å; P198-W214 HydrophobicContact CG-CE3 4.16Å; P198-W214 HydrophobicContact CG-CH2 3.7Å; P198-W214 HydrophobicContact CG-CZ2 4.03Å; P198-W214 HydrophobicContact CG-CZ3 3.77Å; S210-W214 PolarHBondContact O-N 3.36Å; S210-W214 VanDerWaalsContact O-N 3.17Å; L211-W214 PolarHBondContact O-N 3.41Å; W214-L216 VanDerWaalsContact C-N 3.32Å; W214-L216 PolarHBondContact O-N 2.98Å; W214-G217 WeakPolarHBondContact O-CA 3.24Å; W214-G217 PolarHBondContact O-N 3.36Å; W214-G217 VanDerWaalsContact O-N 3.11Å; W214-C218 PolarHBondContact NE1-SG 3.44Å; W214-C218 PolarHBondContact O-N 3.12Å; W214-C218 PolarHBondContact O-SG 3.36Å; W214-C218 VanDerWaalsContact O-SG 3.39Å; W214-F231 HydrophobicContact CH2-CE2 4.43Å; W214-F231 HydrophobicContact CZ2-CD2 4.41Å; W214-F231 AromaticContact CZ2-CE2 4Å; W214-F231 HydrophobicContact CZ2-CE2 4Å; W214-I243 HydrophobicContact CH2-CD1 4.25Å; W214-I243 HydrophobicContact CH2-CG1 4.35Å; W214-I243 HydrophobicContact CH2-CG2 3.63Å; W214-I243 HydrophobicContact CZ2-CD1 3.57Å; W214-I243 HydrophobicContact CZ2-CG1 3.89Å; W214-I243 HydrophobicContact CZ2-CG2 4.04Å; W214-L247 HydrophobicContact CH2-CD1 3.67Å; W214-L247 HydrophobicContact CZ3-CD1 3.86Å; W214-L303 HydrophobicContact CD2-CD2 3.86Å; W214-L303 HydrophobicContact CE3-CD2 3.82Å; W214-L303 HydrophobicContact CG-CD2 4.49Å; W214-L303 HydrophobicContact CH2-CD2 4.14Å; W214-L303 HydrophobicContact CZ2-CD2 4.17Å; W214-L303 HydrophobicContact CZ3-CB 4.24Å; W214-L303 HydrophobicContact CZ3-CD2 3.98Å; W214-R304 WeakPolarHBondContact CZ3-O 3.48Å
215S98.9Very high98.7Very high0 Ų06.2 Ų6.20%03%0.03CC..Hα-helixtrans-60.8-42.3179.6-56.80000111.3V155 F195 L211 D212 M213 C218 M219V155-S215 WeakPolarHBondContact O-CB 3.44Å; F195-S215 PolarHBondContact O-OG 3.12Å; F195-S215 VanDerWaalsContact O-OG 3.05Å; L211-S215 PolarHBondContact O-N 2.97Å; L211-S215 PolarHBondContact O-OG 3.23Å; L211-S215 VanDerWaalsContact O-OG 3.05Å; D212-S215 WeakPolarHBondContact O-CB 3.24Å; D212-S215 PolarHBondContact O-N 3.43Å; M213-S215 VanDerWaalsContact C-N 3.29Å; M213-S215 PolarHBondContact O-N 3.2Å; S215-C218 WeakPolarHBondContact O-CB 3.33Å; S215-C218 PolarHBondContact O-N 3.39Å; S215-M219 PolarHBondContact O-N 3.36Å; S215-M219 VanDerWaalsContact O-N 3.13Å
216L98.9Very high98.6Very high0 Ų05.9 Ų5.90%03%0.027CC..Hα-helixtrans-62-41.6172.4179.9147.7000112I135 L138 L139 L142 D212 M213 W214 C218 M219 L220 F298I135-L216 HydrophobicContact CD1-CD2 4.38Å; I135-L216 HydrophobicContact CD1-CG 4.26Å; I135-L216 HydrophobicContact CG2-CD2 4.44Å; L138-L216 HydrophobicContact CD2-CD1 3.91Å; L138-L216 HydrophobicContact CD2-CG 4.36Å; L138-L216 HydrophobicContact CG-CD1 4.05Å; L139-L216 HydrophobicContact CD2-CD1 3.59Å; L139-L216 HydrophobicContact CD2-CD2 4.47Å; L139-L216 HydrophobicContact CG-CD1 3.81Å; L142-L216 HydrophobicContact CD1-CB 4.39Å; L142-L216 HydrophobicContact CD1-CD1 3.72Å; D212-L216 PolarHBondContact O-N 3.23Å; M213-L216 WeakPolarHBondContact O-CB 3.26Å; M213-L216 PolarHBondContact O-N 3.17Å; W214-L216 VanDerWaalsContact C-N 3.32Å; W214-L216 PolarHBondContact O-N 2.98Å; L216-C218 VanDerWaalsContact C-N 3.32Å; L216-C218 PolarHBondContact O-N 2.92Å; L216-M219 WeakPolarHBondContact O-CB 3.39Å; L216-M219 PolarHBondContact O-N 3.37Å; L216-M219 VanDerWaalsContact O-N 3.15Å; L216-L220 PolarHBondContact O-N 3.44Å; L216-F298 HydrophobicContact CD2-CE1 4.01Å; L216-F298 HydrophobicContact CD2-CZ 4.26Å
217G98.9Very high98.5Very high0 Ų08.6 Ų8.60%04%0.039CC..Hα-helixtrans-59-42.2174.600000112.3M213 W214 M219 L220 A221 L299M213-G217 PolarHBondContact O-N 3.16Å; W214-G217 WeakPolarHBondContact O-CA 3.24Å; W214-G217 PolarHBondContact O-N 3.36Å; W214-G217 VanDerWaalsContact O-N 3.11Å; G217-M219 VanDerWaalsContact C-N 3.32Å; G217-M219 PolarHBondContact O-N 2.81Å; G217-L220 PolarHBondContact O-N 3.29Å; G217-A221 WeakPolarHBondContact O-CB 3.4Å; G217-A221 PolarHBondContact O-N 3.1Å; G217-L299 VanDerWaalsContact O-CD1 3.26Å; G217-L299 WeakPolarHBondContact O-CD1 3.49Å
218C98.8Very high98.3Very high4 Ų412.4 Ų12.43%0.0276%0.057CC..Hα-helixtrans-62.5-38.9175.2-66.30000112.2F195 W214 S215 L216 S222F195-C218 HydrophobicContact CD1-CB 3.8Å; F195-C218 HydrophobicContact CE1-CB 4.22Å; W214-C218 PolarHBondContact NE1-SG 3.44Å; W214-C218 PolarHBondContact O-N 3.12Å; W214-C218 PolarHBondContact O-SG 3.36Å; W214-C218 VanDerWaalsContact O-SG 3.39Å; S215-C218 WeakPolarHBondContact O-CB 3.33Å; S215-C218 PolarHBondContact O-N 3.39Å; L216-C218 VanDerWaalsContact C-N 3.32Å; L216-C218 PolarHBondContact O-N 2.92Å; C218-S222 WeakPolarHBondContact O-CB 3.41Å; C218-S222 PolarHBondContact O-N 2.69Å; C218-S222 VanDerWaalsContact O-N 3.08Å
219M98.4Very high98.3Very high1 Ų112.9 Ų12.91%0.0056%0.061CC..Hα-helixtrans-65.1-48.4174.2-69.3-178.95800111.7Y123 L138 V155 K156 P157 V160 F195 S215 L216 G217 A221 S222 M223Y123-M219 HydrophobicContact CE2-CE 4.27Å; Y123-M219 WeakPolarHBondContact OH-CE 3.4Å; L138-M219 HydrophobicContact CD2-CE 4.22Å; L138-M219 HydrophobicContact CD2-SD 4.27Å; V155-M219 HydrophobicContact CG1-SD 3.87Å; K156-M219 VanDerWaalsContact C-SD 3.54Å; K156-M219 VanDerWaalsContact CA-SD 3.57Å; P157-M219 HydrophobicContact CB-CE 4.41Å; P157-M219 HydrophobicContact CG-CE 4.1Å; P157-M219 HydrophobicContact CG-CG 4.14Å; P157-M219 HydrophobicContact CG-SD 4.48Å; V160-M219 HydrophobicContact CB-CE 4.41Å; V160-M219 HydrophobicContact CG2-CE 3.92Å; V160-M219 HydrophobicContact CG2-SD 4.47Å; F195-M219 HydrophobicContact CD1-CG 4.06Å; F195-M219 HydrophobicContact CE1-CG 3.61Å; S215-M219 PolarHBondContact O-N 3.36Å; S215-M219 VanDerWaalsContact O-N 3.13Å; L216-M219 WeakPolarHBondContact O-CB 3.39Å; L216-M219 PolarHBondContact O-N 3.37Å; L216-M219 VanDerWaalsContact O-N 3.15Å; G217-M219 VanDerWaalsContact C-N 3.32Å; G217-M219 PolarHBondContact O-N 2.81Å; M219-A221 PolarHBondContact O-N 3.23Å; M219-S222 WeakPolarHBondContact O-CB 3.35Å; M219-S222 PolarHBondContact O-N 3.06Å; M219-M223 HydrophobicContact CB-CE 4.17Å; M219-M223 WeakPolarHBondContact O-CE 3.45Å; M219-M223 WeakPolarHBondContact O-CG 2.91Å; M219-M223 PolarHBondContact O-N 3.26Å
220L98.6Very high98.2Very high0 Ų012.9 Ų12.90%06%0.061CC..Hα-helixtrans-58.6-48.1177.9176.364.5000111.2I131 I135 L216 G217 S222 M223 I224 F298 L299 Y321I131-L220 HydrophobicContact CG2-CD1 3.89Å; I135-L220 HydrophobicContact CD1-CB 4.08Å; I135-L220 HydrophobicContact CD1-CD1 4.39Å; I135-L220 HydrophobicContact CG1-CD1 4.07Å; L216-L220 PolarHBondContact O-N 3.44Å; G217-L220 PolarHBondContact O-N 3.29Å; L220-S222 VanDerWaalsContact C-N 3.29Å; L220-S222 PolarHBondContact O-N 2.84Å; L220-M223 PolarHBondContact O-N 2.81Å; L220-M223 VanDerWaalsContact O-N 3.11Å; L220-I224 HydrophobicContact CD1-CG2 3.62Å; L220-I224 HydrophobicContact CG-CG2 4.34Å; L220-I224 WeakPolarHBondContact O-CG1 3.38Å; L220-I224 PolarHBondContact O-N 3.19Å; L220-F298 HydrophobicContact CD2-CD1 3.25Å; L220-F298 HydrophobicContact CD2-CE1 3.59Å; L220-F298 HydrophobicContact CD2-CG 4.26Å; L220-L299 HydrophobicContact CB-CD1 4.36Å; L220-L299 HydrophobicContact CD2-CB 4.38Å; L220-L299 HydrophobicContact CD2-CD1 4.19Å; L220-L299 HydrophobicContact CG-CD1 4.36Å; L220-Y321 HydrophobicContact CD1-CE1 3.98Å; L220-Y321 HydrophobicContact CD2-CE1 4.45Å
221A98.7Very high98.2Very high0 Ų012.5 Ų12.50%06%0.058CC..Hα-helixtrans-57-43.4176.700000111.8G217 M219 M223 F225 F230 L299 L303G217-A221 WeakPolarHBondContact O-CB 3.4Å; G217-A221 PolarHBondContact O-N 3.1Å; M219-A221 PolarHBondContact O-N 3.23Å; A221-M223 VanDerWaalsContact C-N 3.32Å; A221-M223 PolarHBondContact O-N 2.94Å; A221-F225 HydrophobicContact CB-CD2 4.22Å; A221-F225 HydrophobicContact CB-CE2 4.49Å; A221-F225 VanDerWaalsContact O-CB 3.3Å; A221-F225 WeakPolarHBondContact O-CB 3.11Å; A221-F225 VanDerWaalsContact O-CD2 3.27Å; A221-F225 WeakPolarHBondContact O-CD2 3.1Å; A221-F225 PolarHBondContact O-N 3.39Å; A221-F230 HydrophobicContact CB-CB 3.92Å; A221-F230 HydrophobicContact CB-CD1 3.84Å; A221-F230 HydrophobicContact CB-CD2 3.8Å; A221-F230 HydrophobicContact CB-CE1 4.32Å; A221-F230 HydrophobicContact CB-CE2 4.3Å; A221-F230 HydrophobicContact CB-CG 3.56Å; A221-L299 HydrophobicContact CB-CD1 3.98Å; A221-L299 HydrophobicContact CB-CD2 3.88Å; A221-L303 HydrophobicContact CB-CD1 4.4Å
222S98.1Very high98.2Very high8 Ų817.1 Ų17.16%0.0568%0.079CC..Hα-helixtrans-61.5-40.9177.1-173.40000112.3C218 M219 L220 R226 K227 E228C218-S222 WeakPolarHBondContact O-CB 3.41Å; C218-S222 PolarHBondContact O-N 2.69Å; C218-S222 VanDerWaalsContact O-N 3.08Å; M219-S222 WeakPolarHBondContact O-CB 3.35Å; M219-S222 PolarHBondContact O-N 3.06Å; L220-S222 VanDerWaalsContact C-N 3.29Å; L220-S222 PolarHBondContact O-N 2.84Å; S222-R226 WeakPolarHBondContact O-CA 3.23Å; S222-R226 PolarHBondContact O-N 2.93Å; S222-K227 WeakPolarHBondContact CA-O 3.39Å; S222-K227 PolarHBondContact O-N 3.4Å; S222-K227 PolarHBondContact OG-O 3.25Å; S222-K227 VanDerWaalsContact OG-O 3.09Å; S222-E228 WeakPolarHBondContact OG-CA 3.38Å; S222-E228 WeakPolarHBondContact OG-CB 3.42Å
223M98.2Very high98.2Very high5 Ų517.1 Ų17.13%0.0258%0.079CC..Hα-helixtrans-69.9-55.2-179.7-72.5-175.4-82.400111.7Y123 L126 I131 I135 M219 L220 A221 F225 R226Y123-M223 HydrophobicContact CD1-SD 4.41Å; Y123-M223 HydrophobicContact CD2-CG 3.5Å; Y123-M223 HydrophobicContact CD2-SD 3.87Å; Y123-M223 HydrophobicContact CE1-SD 4.31Å; Y123-M223 HydrophobicContact CE2-CE 4.36Å; Y123-M223 HydrophobicContact CE2-CG 3.84Å; Y123-M223 HydrophobicContact CE2-SD 3.74Å; Y123-M223 HydrophobicContact CG-CG 4.04Å; Y123-M223 HydrophobicContact CG-SD 4.21Å; L126-M223 HydrophobicContact CD1-SD 4.33Å; I131-M223 HydrophobicContact CD1-CB 4.06Å; I131-M223 HydrophobicContact CG1-CB 4.29Å; I131-M223 HydrophobicContact CG2-CB 4.13Å; I131-M223 HydrophobicContact CG2-CE 4.48Å; I131-M223 HydrophobicContact CG2-SD 4.24Å; I135-M223 HydrophobicContact CD1-CE 3.5Å; I135-M223 VanDerWaalsContact CD1-CE 3.5Å; I135-M223 HydrophobicContact CG1-CE 3.92Å; M219-M223 HydrophobicContact CB-CE 4.17Å; M219-M223 WeakPolarHBondContact O-CE 3.45Å; M219-M223 WeakPolarHBondContact O-CG 2.91Å; M219-M223 PolarHBondContact O-N 3.26Å; L220-M223 PolarHBondContact O-N 2.81Å; L220-M223 VanDerWaalsContact O-N 3.11Å; A221-M223 VanDerWaalsContact C-N 3.32Å; A221-M223 PolarHBondContact O-N 2.94Å; M223-F225 PolarHBondContact O-N 3.15Å; M223-R226 PolarHBondContact O-N 3.1Å
224I98.5Very high98.1Very high0 Ų023.3 Ų23.30%011%0.108CC..Hα-helixtrans-71.2-30.4-173.570.8179.6000112.7I131 L220 L290 V291 A295 L296 L299I131-I224 HydrophobicContact CD1-CG2 4.45Å; I131-I224 HydrophobicContact CG2-CG2 4.15Å; L220-I224 HydrophobicContact CD1-CG2 3.62Å; L220-I224 HydrophobicContact CG-CG2 4.34Å; L220-I224 WeakPolarHBondContact O-CG1 3.38Å; L220-I224 PolarHBondContact O-N 3.19Å; I224-L290 HydrophobicContact CB-CB 4.46Å; I224-V291 HydrophobicContact CB-CG2 4.3Å; I224-A295 HydrophobicContact CD1-CB 4.38Å; I224-L296 HydrophobicContact CD1-CD2 4.46Å; I224-L299 HydrophobicContact CD1-CD2 4.17Å
225F98.3Very high98.1Very high3 Ų326.9 Ų26.91%0.01313%0.127CC..THydrogen-bonded Turntrans-94.41.6177.8-61-55.2000113.8A221 M223 K227 F230 W279 F282 V283 N287 V291 L296 L299A221-F225 HydrophobicContact CB-CD2 4.22Å; A221-F225 HydrophobicContact CB-CE2 4.49Å; A221-F225 VanDerWaalsContact O-CB 3.3Å; A221-F225 WeakPolarHBondContact O-CB 3.11Å; A221-F225 VanDerWaalsContact O-CD2 3.27Å; A221-F225 WeakPolarHBondContact O-CD2 3.1Å; A221-F225 PolarHBondContact O-N 3.39Å; M223-F225 PolarHBondContact O-N 3.15Å; F225-K227 HydrophobicContact CB-CB 4.39Å; F225-K227 PolarHBondContact O-N 2.87Å; F225-F230 HydrophobicContact CB-CD2 4.47Å; F225-F230 HydrophobicContact CB-CE2 4.34Å; F225-F230 AromaticContact CD2-CD2 3.88Å; F225-F230 HydrophobicContact CD2-CD2 3.88Å; F225-F230 AromaticContact CD2-CE2 3.35Å; F225-F230 HydrophobicContact CD2-CE2 3.35Å; F225-F230 HydrophobicContact CD2-CZ 4.1Å; F225-F230 AromaticContact CE2-CE2 3.94Å; F225-F230 HydrophobicContact CE2-CE2 3.94Å; F225-F230 HydrophobicContact CE2-CZ 4.24Å; F225-F230 HydrophobicContact CG-CE2 4.14Å; F225-W279 AromaticContact CE2-CE3 3.94Å; F225-W279 HydrophobicContact CE2-CE3 3.94Å; F225-W279 HydrophobicContact CE2-CZ3 4.42Å; F225-W279 HydrophobicContact CZ-CB 4.29Å; F225-W279 HydrophobicContact CZ-CE3 4.15Å; F225-F282 HydrophobicContact CB-CB 4.43Å; F225-F282 HydrophobicContact CD1-CB 3.55Å; F225-F282 HydrophobicContact CD2-CB 4.16Å; F225-F282 HydrophobicContact CE1-CB 3.7Å; F225-F282 HydrophobicContact CE2-CB 4.26Å; F225-F282 HydrophobicContact CE2-CD2 4.44Å; F225-F282 HydrophobicContact CG-CB 3.8Å; F225-F282 HydrophobicContact CZ-CB 4.06Å; F225-F282 HydrophobicContact CZ-CD2 4.43Å; F225-V283 HydrophobicContact CE1-CG2 4.07Å; F225-N287 WeakPolarHBondContact CA-ND2 3.13Å; F225-N287 PolarHBondContact O-ND2 3.28Å; F225-V291 HydrophobicContact CD1-CG2 4.1Å; F225-V291 HydrophobicContact CE1-CG2 4.02Å; F225-L296 HydrophobicContact CE1-CD2 4.03Å; F225-L296 HydrophobicContact CZ-CD2 3.67Å; F225-L299 HydrophobicContact CE2-CD2 3.61Å; F225-L299 HydrophobicContact CZ-CD2 4.26Å
226R97Very high98.1Very high48 Ų4830.4 Ų30.418%0.18115%0.145CC..THydrogen-bonded Turntrans52.237.6-176.4-63.3-81.6-173.6-134.94.3112.6Y123 Q124 L126 S222 M223 N287 L290Y123-R226 PolarHBondContact O-NH1 3.36Å; Q124-R226 PolarHBondContact O-NH1 3.24Å; Q124-R226 PolarHBondContact O-NH2 2.89Å; Q124-R226 VanDerWaalsContact O-NH2 3.1Å; L126-R226 PolarHBondContact O-NH2 2.98Å; S222-R226 WeakPolarHBondContact O-CA 3.23Å; S222-R226 PolarHBondContact O-N 2.93Å; M223-R226 PolarHBondContact O-N 3.1Å; R226-N287 HydrophobicContact CB-CB 4.33Å; R226-N287 HydrophobicContact CG-CB 3.92Å; R226-L290 HydrophobicContact CG-CD1 4.1Å; R226-L290 VanDerWaalsContact CZ-CD1 3.45Å
227K96.8Very high98Very high91 Ų9133.2 Ų33.240%0.39616%0.156SC..  trans-127.898.5-173.5-173.8-170.1178.6-156.60111.2S222 F225 P229 F230S222-K227 WeakPolarHBondContact CA-O 3.39Å; S222-K227 PolarHBondContact O-N 3.4Å; S222-K227 PolarHBondContact OG-O 3.25Å; S222-K227 VanDerWaalsContact OG-O 3.09Å; F225-K227 HydrophobicContact CB-CB 4.39Å; F225-K227 PolarHBondContact O-N 2.87Å; K227-P229 CarbonylContact O-C 3.44Å; K227-F230 HydrophobicContact CB-CD2 4.38Å; K227-F230 HydrophobicContact CD-CD2 3.93Å; K227-F230 HydrophobicContact CD-CE2 4.26Å; K227-F230 WeakPolarHBondContact CE-O 3.32Å; K227-F230 PolarHBondContact NZ-O 2.99Å; K227-F230 WeakPolarHBondContact O-CA 3.1Å; K227-F230 PolarHBondContact O-N 3.12Å
228E94.6Very high98Very high79 Ų7934.4 Ų34.437%0.36916%0.163SC..SBendtrans-112.7122.1-175.3-165.8-163.4144.200112.6F119 S222F119-E228 WeakPolarHBondContact CE2-OE1 3.43Å; S222-E228 WeakPolarHBondContact OG-CA 3.38Å; S222-E228 WeakPolarHBondContact OG-CB 3.42Å
229P97.4Very high98Very high16 Ų1634.2 Ų34.210%0.10416%0.162CC..SBendcis-71.1157.1-16.633.4-38000111.9Y194 K227 H232Y194-P229 HydrophobicContact CD1-CB 4.24Å; Y194-P229 HydrophobicContact CD1-CG 3.9Å; Y194-P229 HydrophobicContact CD2-CB 3.61Å; Y194-P229 HydrophobicContact CD2-CG 3.52Å; Y194-P229 HydrophobicContact CE1-CG 4.1Å; Y194-P229 HydrophobicContact CE2-CB 4.3Å; Y194-P229 HydrophobicContact CE2-CG 3.71Å; Y194-P229 HydrophobicContact CG-CB 3.56Å; Y194-P229 HydrophobicContact CG-CG 3.62Å; K227-P229 CarbonylContact O-C 3.44Å; P229-H232 HydrophobicContact CG-CB 3.78Å
230F98.5Very high98Very high4 Ų434.2 Ų34.22%0.01816%0.162CC..SBendtrans-66.4-48.7179.5-174.3-102000112.2A221 F225 K227 V246 W279 F282A221-F230 HydrophobicContact CB-CB 3.92Å; A221-F230 HydrophobicContact CB-CD1 3.84Å; A221-F230 HydrophobicContact CB-CD2 3.8Å; A221-F230 HydrophobicContact CB-CE1 4.32Å; A221-F230 HydrophobicContact CB-CE2 4.3Å; A221-F230 HydrophobicContact CB-CG 3.56Å; F225-F230 HydrophobicContact CB-CD2 4.47Å; F225-F230 HydrophobicContact CB-CE2 4.34Å; F225-F230 AromaticContact CD2-CD2 3.88Å; F225-F230 HydrophobicContact CD2-CD2 3.88Å; F225-F230 AromaticContact CD2-CE2 3.35Å; F225-F230 HydrophobicContact CD2-CE2 3.35Å; F225-F230 HydrophobicContact CD2-CZ 4.1Å; F225-F230 AromaticContact CE2-CE2 3.94Å; F225-F230 HydrophobicContact CE2-CE2 3.94Å; F225-F230 HydrophobicContact CE2-CZ 4.24Å; F225-F230 HydrophobicContact CG-CE2 4.14Å; K227-F230 HydrophobicContact CB-CD2 4.38Å; K227-F230 HydrophobicContact CD-CD2 3.93Å; K227-F230 HydrophobicContact CD-CE2 4.26Å; K227-F230 WeakPolarHBondContact CE-O 3.32Å; K227-F230 PolarHBondContact NZ-O 2.99Å; K227-F230 WeakPolarHBondContact O-CA 3.1Å; K227-F230 PolarHBondContact O-N 3.12Å; F230-V246 HydrophobicContact CE1-CG1 4.42Å; F230-W279 AromaticContact CE1-CZ3 3.92Å; F230-W279 HydrophobicContact CE1-CZ3 3.92Å; F230-W279 HydrophobicContact CZ-CE3 4.45Å; F230-W279 AromaticContact CZ-CZ3 3.83Å; F230-W279 HydrophobicContact CZ-CZ3 3.83Å; F230-F282 HydrophobicContact CE2-CD1 4.1Å; F230-F282 HydrophobicContact CE2-CD2 4.38Å; F230-F282 HydrophobicContact CE2-CE1 4.42Å; F230-F282 HydrophobicContact CE2-CG 4.08Å; F230-F282 HydrophobicContact CZ-CD1 4.15Å; F230-F282 AromaticContact CZ-CD2 3.99Å; F230-F282 HydrophobicContact CZ-CD2 3.99Å; F230-F282 HydrophobicContact CZ-CE1 4.09Å; F230-F282 AromaticContact CZ-CE2 3.93Å; F230-F282 HydrophobicContact CZ-CE2 3.93Å; F230-F282 HydrophobicContact CZ-CG 4.11Å; F230-F282 AromaticContact CZ-CZ 3.98Å; F230-F282 HydrophobicContact CZ-CZ 3.98Å
231F98.8Very high98Very high3 Ų334.4 Ų34.41%0.01316%0.163CC..SBendtrans-101.899.8172.3-61.4-64.3000110Y194 W214 Q239 R242 I243 V246 L303Y194-F231 WeakPolarHBondContact CD1-O 3.36Å; W214-F231 HydrophobicContact CH2-CE2 4.43Å; W214-F231 HydrophobicContact CZ2-CD2 4.41Å; W214-F231 AromaticContact CZ2-CE2 4Å; W214-F231 HydrophobicContact CZ2-CE2 4Å; F231-Q239 PolarHBondContact O-NE2 3.04Å; F231-Q239 PolarHBondContact O-OE1 3.23Å; F231-R242 HydrophobicContact CB-CB 4.4Å; F231-R242 HydrophobicContact CD1-CB 4.46Å; F231-I243 HydrophobicContact CB-CG1 4.36Å; F231-I243 HydrophobicContact CD1-CB 4.48Å; F231-I243 HydrophobicContact CD1-CG1 3.91Å; F231-I243 HydrophobicContact CD2-CG1 4.1Å; F231-I243 HydrophobicContact CE1-CB 4.41Å; F231-I243 HydrophobicContact CE1-CG1 4.16Å; F231-I243 HydrophobicContact CE2-CG1 4.34Å; F231-I243 HydrophobicContact CG-CG1 3.88Å; F231-I243 HydrophobicContact CZ-CG1 4.37Å; F231-V246 HydrophobicContact CD1-CG2 4.4Å; F231-V246 HydrophobicContact CE1-CB 3.87Å; F231-V246 HydrophobicContact CE1-CG1 4.37Å; F231-V246 HydrophobicContact CE1-CG2 3.75Å; F231-L303 HydrophobicContact CE2-CD1 3.98Å; F231-L303 HydrophobicContact CE2-CD2 4.32Å; F231-L303 HydrophobicContact CZ-CD1 4.21Å
232H98.6Very high98Very high96 Ų9638 Ų3844%0.44418%0.177SC..  trans-102.477.6-171.8-159.9167.4000112.1Y194 P229Y194-H232 AromaticContact CE1-CD2 3.57Å; Y194-H232 AromaticContact CZ-CD2 3.57Å; Y194-H232 AromaticContact CZ-NE2 3.79Å; Y194-H232 PolarHBondContact OH-CD2 2.99Å; Y194-H232 PolarHBondContact OH-NE2 3.2Å; P229-H232 HydrophobicContact CG-CB 3.78Å
233G98.5Very high98.1Very high0 Ų037.7 Ų37.70%017%0.174CC..  trans-83.1139.3177.200000113.9R193 Y194 D235 D238 Q239R193-G233 WeakPolarHBondContact CD-O 3.35Å; R193-G233 PolarHBondContact NH1-O 3.28Å; R193-G233 VanDerWaalsContact NH1-O 3.1Å; Y194-G233 WeakPolarHBondContact CE1-O 3.34Å; G233-D235 VanDerWaalsContact C-N 3.33Å; G233-D238 WeakPolarHBondContact CA-OD2 3.13Å; G233-Q239 VanDerWaalsContact CA-OE1 3.29Å
234H97.9Very high98.1Very high132 Ų13237.4 Ų37.461%0.61117%0.173SC*.SBendtrans-68.5-32.6176.7-60.6-55000113.1R193 D238 R242R193-H234 PolarHBondContact NH1-O 3.43Å; R193-H234 PolarHBondContact NH2-O 3.29Å; H234-D238 HydrophobicContact CB-CB 4.36Å; H234-D238 IonicContact CD2-OD2 3.46Å; H234-D238 PolarHBondContact CD2-OD2 3.18Å; H234-D238 IonicContact CG-OD2 2.74Å; H234-D238 PolarHBondContact N-OD2 2.75Å; H234-D238 IonicContact NE2-OD2 2.77Å; H234-R242 PolarHBondContact CD2-NH2 3.38Å; H234-R242 VanDerWaalsContact CD2-NH2 3.32Å; H234-R242 PolarHBondContact NE2-NH2 3.17Å
235D98.1Very high98.1Very high75 Ų7541.6 Ų41.640%0.40119%0.191SC..SBendtrans-146.6-171.1173.558.345.7000109.6R193 G233 Y237 D238 Q239R193-D235 WeakPolarHBondContact CD-O 3.43Å; G233-D235 VanDerWaalsContact C-N 3.33Å; D235-Y237 VanDerWaalsContact C-N 3.33Å; D235-Y237 WeakPolarHBondContact OD1-CA 3.38Å; D235-Y237 WeakPolarHBondContact OD1-CB 3.41Å; D235-Y237 PolarHBondContact OD1-N 3.15Å; D235-D238 PolarHBondContact OD1-N 2.91Å; D235-Q239 VanDerWaalsContact O-CB 3.3Å; D235-Q239 WeakPolarHBondContact O-CB 3.23Å; D235-Q239 PolarHBondContact O-N 3.25Å
236N98.2Very high98.1Very high73 Ų7342 Ų4239%0.3919%0.194SC..Hα-helixtrans-70.2-28.2-179.3-67.9-8.3000113L201L201-N236 HydrophobicContact CD2-CB 4.11Å
237Y98.3Very high98.2Very high59 Ų5939.8 Ų39.823%0.23119%0.185CC..Hα-helixtrans-72.2-50.8177.6-71.9-84000109.7D235 Q239 L240 V241 D264 R266 F267 I270D235-Y237 VanDerWaalsContact C-N 3.33Å; D235-Y237 WeakPolarHBondContact OD1-CA 3.38Å; D235-Y237 WeakPolarHBondContact OD1-CB 3.41Å; D235-Y237 PolarHBondContact OD1-N 3.15Å; Y237-Q239 PolarHBondContact O-N 3.39Å; Y237-L240 PolarHBondContact O-N 2.96Å; Y237-V241 PolarHBondContact O-N 3.43Å; Y237-D264 HydrophobicContact CE1-CB 4.18Å; Y237-D264 PolarHBondContact OH-OD2 3.39Å; Y237-R266 HydrophobicContact CD1-CB 4.01Å; Y237-R266 HydrophobicContact CE1-CB 3.87Å; Y237-R266 VanDerWaalsContact CE2-NH1 3.25Å; Y237-R266 PolarHBondContact OH-NE 2.83Å; Y237-R266 PolarHBondContact OH-NH1 3.49Å; Y237-R266 PolarHBondContact OH-NH2 2.93Å; Y237-F267 HydrophobicContact CD1-CD1 4.09Å; Y237-F267 HydrophobicContact CD1-CD2 4.16Å; Y237-F267 AromaticContact CD1-CE1 3.63Å; Y237-F267 HydrophobicContact CD1-CE1 3.63Å; Y237-F267 AromaticContact CD1-CE2 3.74Å; Y237-F267 HydrophobicContact CD1-CE2 3.74Å; Y237-F267 HydrophobicContact CD1-CG 4.34Å; Y237-F267 AromaticContact CD1-CZ 3.45Å; Y237-F267 HydrophobicContact CD1-CZ 3.45Å; Y237-F267 VanDerWaalsContact CD1-CZ 3.45Å; Y237-F267 HydrophobicContact CE1-CD2 4.13Å; Y237-F267 HydrophobicContact CE1-CE1 4.4Å; Y237-F267 AromaticContact CE1-CE2 3.67Å; Y237-F267 HydrophobicContact CE1-CE2 3.67Å; Y237-F267 AromaticContact CE1-CZ 3.81Å; Y237-F267 HydrophobicContact CE1-CZ 3.81Å; Y237-F267 HydrophobicContact CG-CE1 4.33Å; Y237-F267 HydrophobicContact CG-CZ 4.29Å; Y237-I270 HydrophobicContact CD1-CD1 4.43Å
238D98.4Very high98.3Very high26 Ų2635.5 Ų35.514%0.13917%0.167CC..Hα-helixtrans-63.4-29.2175.7-17452.8000111.7G233 H234 D235 L240 V241 R242G233-D238 WeakPolarHBondContact CA-OD2 3.13Å; H234-D238 HydrophobicContact CB-CB 4.36Å; H234-D238 IonicContact CD2-OD2 3.46Å; H234-D238 PolarHBondContact CD2-OD2 3.18Å; H234-D238 IonicContact CG-OD2 2.74Å; H234-D238 PolarHBondContact N-OD2 2.75Å; H234-D238 IonicContact NE2-OD2 2.77Å; D235-D238 PolarHBondContact OD1-N 2.91Å; D238-L240 VanDerWaalsContact C-N 3.34Å; D238-L240 PolarHBondContact O-N 3.08Å; D238-V241 WeakPolarHBondContact O-CB 3.21Å; D238-V241 PolarHBondContact O-N 2.93Å; D238-V241 VanDerWaalsContact O-N 3.14Å; D238-R242 WeakPolarHBondContact O-CG 3.44Å; D238-R242 PolarHBondContact O-N 3.11Å; D238-R242 IonicContact OD1-CZ 3.55Å; D238-R242 IonicContact OD1-NE 2.64Å; D238-R242 PolarHBondContact OD1-NE 3.05Å; D238-R242 VanDerWaalsContact OD1-NE 3.14Å; D238-R242 IonicContact OD1-NH2 2.7Å; D238-R242 PolarHBondContact OD1-NH2 2.84Å; D238-R242 IonicContact OD2-CZ 3.95Å; D238-R242 IonicContact OD2-NE 3.32Å; D238-R242 PolarHBondContact OD2-NE 3.31Å; D238-R242 IonicContact OD2-NH2 3.75Å; D238-R242 PolarHBondContact OD2-NH2 2.77Å
239Q98.8Very high98.5Very high0 Ų031.8 Ų31.80%015%0.15CC..Hα-helixtrans-57.2-45.5174.8-172.465.727.700112.2R193 L201 F231 G233 D235 Y237 V241 R242 I243R193-Q239 HydrophobicContact CG-CB 4.17Å; R193-Q239 HydrophobicContact CG-CG 4.23Å; R193-Q239 WeakPolarHBondContact O-CG 3.41Å; L201-Q239 HydrophobicContact CD1-CB 4.14Å; L201-Q239 HydrophobicContact CD1-CG 3.78Å; L201-Q239 HydrophobicContact CD2-CB 4.25Å; L201-Q239 HydrophobicContact CD2-CG 4.27Å; F231-Q239 PolarHBondContact O-NE2 3.04Å; F231-Q239 PolarHBondContact O-OE1 3.23Å; G233-Q239 VanDerWaalsContact CA-OE1 3.29Å; D235-Q239 VanDerWaalsContact O-CB 3.3Å; D235-Q239 WeakPolarHBondContact O-CB 3.23Å; D235-Q239 PolarHBondContact O-N 3.25Å; Y237-Q239 PolarHBondContact O-N 3.39Å; Q239-V241 VanDerWaalsContact C-N 3.33Å; Q239-R242 PolarHBondContact O-N 3.44Å; Q239-I243 HydrophobicContact CG-CD1 4.49Å; Q239-I243 WeakPolarHBondContact O-CG1 3.41Å; Q239-I243 PolarHBondContact O-N 3.32Å
240L98.8Very high98.5Very high0 Ų034.9 Ų34.90%017%0.166CC..Hα-helixtrans-66.6-37.3176.6-172.863000111.1P198 L201 V202 Y237 D238 R242 I243 A244 L252 L263 F267 L271P198-L240 HydrophobicContact CB-CD1 4.48Å; L201-L240 HydrophobicContact CB-CB 4.24Å; L201-L240 HydrophobicContact CB-CD1 4.35Å; L201-L240 HydrophobicContact CD1-CB 4.07Å; L201-L240 HydrophobicContact CD1-CD1 4.25Å; V202-L240 HydrophobicContact CG1-CD1 4.4Å; V202-L240 HydrophobicContact CG1-CD2 3.65Å; Y237-L240 PolarHBondContact O-N 2.96Å; D238-L240 VanDerWaalsContact C-N 3.34Å; D238-L240 PolarHBondContact O-N 3.08Å; L240-R242 VanDerWaalsContact C-N 3.32Å; L240-R242 PolarHBondContact O-N 3.05Å; L240-I243 WeakPolarHBondContact O-CB 3.49Å; L240-I243 PolarHBondContact O-N 3.14Å; L240-I243 VanDerWaalsContact O-N 3.15Å; L240-A244 WeakPolarHBondContact O-CB 3.14Å; L240-A244 PolarHBondContact O-N 2.64Å; L240-L252 HydrophobicContact CD1-CD1 4.3Å; L240-L252 HydrophobicContact CD1-CD2 4.42Å; L240-L252 HydrophobicContact CD2-CD2 4.3Å; L240-L252 HydrophobicContact CG-CD2 4.33Å; L240-L263 HydrophobicContact CD2-CD1 4.35Å; L240-F267 HydrophobicContact CB-CE1 3.77Å; L240-F267 HydrophobicContact CB-CZ 4.17Å; L240-F267 HydrophobicContact CD2-CD1 4.02Å; L240-F267 HydrophobicContact CD2-CE1 3.57Å; L240-F267 HydrophobicContact CD2-CE2 4.2Å; L240-F267 HydrophobicContact CD2-CZ 3.66Å; L240-F267 HydrophobicContact CG-CE1 4.23Å; L240-L271 HydrophobicContact CD2-CD2 4.29Å; L240-L271 HydrophobicContact CG-CD2 4.14Å
241V98.6Very high98.5Very high4 Ų437.6 Ų37.62%0.02418%0.178CC..Hα-helixtrans-59.9-41.1174178.30000111.3Y237 D238 Q239 I243 A244 K245 I270 L271Y237-V241 PolarHBondContact O-N 3.43Å; D238-V241 WeakPolarHBondContact O-CB 3.21Å; D238-V241 PolarHBondContact O-N 2.93Å; D238-V241 VanDerWaalsContact O-N 3.14Å; Q239-V241 VanDerWaalsContact C-N 3.33Å; V241-I243 VanDerWaalsContact C-N 3.3Å; V241-I243 PolarHBondContact O-N 3.36Å; V241-A244 PolarHBondContact O-N 3.27Å; V241-K245 HydrophobicContact CG1-CD 4.24Å; V241-K245 WeakPolarHBondContact O-CG 3.35Å; V241-K245 PolarHBondContact O-N 3.23Å; V241-I270 HydrophobicContact CG2-CB 4.08Å; V241-I270 HydrophobicContact CG2-CD1 3.87Å; V241-I270 HydrophobicContact CG2-CG1 3.82Å; V241-I270 WeakPolarHBondContact CG2-O 3.41Å; V241-L271 HydrophobicContact CG2-CD2 4.09Å
242R98.8Very high98.5Very high77 Ų7737.5 Ų37.529%0.29118%0.178SC..Hα-helixtrans-63.9-36.5176.1-60.6-43.7169.9151.8-0.8112.5F231 H234 D238 Q239 L240F231-R242 HydrophobicContact CB-CB 4.4Å; F231-R242 HydrophobicContact CD1-CB 4.46Å; H234-R242 PolarHBondContact CD2-NH2 3.38Å; H234-R242 VanDerWaalsContact CD2-NH2 3.32Å; H234-R242 PolarHBondContact NE2-NH2 3.17Å; D238-R242 WeakPolarHBondContact O-CG 3.44Å; D238-R242 PolarHBondContact O-N 3.11Å; D238-R242 IonicContact OD1-CZ 3.55Å; D238-R242 IonicContact OD1-NE 2.64Å; D238-R242 PolarHBondContact OD1-NE 3.05Å; D238-R242 VanDerWaalsContact OD1-NE 3.14Å; D238-R242 IonicContact OD1-NH2 2.7Å; D238-R242 PolarHBondContact OD1-NH2 2.84Å; D238-R242 IonicContact OD2-CZ 3.95Å; D238-R242 IonicContact OD2-NE 3.32Å; D238-R242 PolarHBondContact OD2-NE 3.31Å; D238-R242 IonicContact OD2-NH2 3.75Å; D238-R242 PolarHBondContact OD2-NH2 2.77Å; Q239-R242 PolarHBondContact O-N 3.44Å; L240-R242 VanDerWaalsContact C-N 3.32Å; L240-R242 PolarHBondContact O-N 3.05Å
243I98.9Very high98.5Very high0 Ų037.7 Ų37.70%018%0.175CC..Hα-helixtrans-67.6-49.5175.1-64.6163.5000109.9L201 W214 F231 Q239 L240 V241 K245 V246 L247 Y305L201-I243 HydrophobicContact CD1-CD1 3.65Å; W214-I243 HydrophobicContact CH2-CD1 4.25Å; W214-I243 HydrophobicContact CH2-CG1 4.35Å; W214-I243 HydrophobicContact CH2-CG2 3.63Å; W214-I243 HydrophobicContact CZ2-CD1 3.57Å; W214-I243 HydrophobicContact CZ2-CG1 3.89Å; W214-I243 HydrophobicContact CZ2-CG2 4.04Å; F231-I243 HydrophobicContact CB-CG1 4.36Å; F231-I243 HydrophobicContact CD1-CB 4.48Å; F231-I243 HydrophobicContact CD1-CG1 3.91Å; F231-I243 HydrophobicContact CD2-CG1 4.1Å; F231-I243 HydrophobicContact CE1-CB 4.41Å; F231-I243 HydrophobicContact CE1-CG1 4.16Å; F231-I243 HydrophobicContact CE2-CG1 4.34Å; F231-I243 HydrophobicContact CG-CG1 3.88Å; F231-I243 HydrophobicContact CZ-CG1 4.37Å; Q239-I243 HydrophobicContact CG-CD1 4.49Å; Q239-I243 WeakPolarHBondContact O-CG1 3.41Å; Q239-I243 PolarHBondContact O-N 3.32Å; L240-I243 WeakPolarHBondContact O-CB 3.49Å; L240-I243 PolarHBondContact O-N 3.14Å; L240-I243 VanDerWaalsContact O-N 3.15Å; V241-I243 VanDerWaalsContact C-N 3.3Å; V241-I243 PolarHBondContact O-N 3.36Å; I243-K245 VanDerWaalsContact C-N 3.28Å; I243-K245 PolarHBondContact O-N 2.9Å; I243-V246 WeakPolarHBondContact O-CA 3.34Å; I243-V246 PolarHBondContact O-N 3.02Å; I243-L247 HydrophobicContact CG2-CD1 3.79Å; I243-L247 HydrophobicContact CG2-CG 4.16Å; I243-L247 PolarHBondContact O-N 2.87Å; I243-Y305 HydrophobicContact CG2-CD1 4.49Å; I243-Y305 HydrophobicContact CG2-CE1 3.57Å
244A98.7Very high98.5Very high0 Ų043.6 Ų43.60%020%0.203CC..Hα-helixtrans-57.9-35.4178.500000113.9L240 V241 V246 G248 T249 L252 L271 H274 Y305L240-A244 WeakPolarHBondContact O-CB 3.14Å; L240-A244 PolarHBondContact O-N 2.64Å; V241-A244 PolarHBondContact O-N 3.27Å; A244-V246 PolarHBondContact O-N 3.12Å; A244-G248 CarbonylContact O-C 3.51Å; A244-G248 WeakPolarHBondContact O-CA 3.42Å; A244-G248 PolarHBondContact O-N 3.46Å; A244-T249 HydrophobicContact CB-CG2 4.06Å; A244-L252 HydrophobicContact CB-CD2 4.49Å; A244-L271 HydrophobicContact CB-CD2 4.07Å; A244-H274 WeakPolarHBondContact O-CB 3.4Å; A244-Y305 WeakPolarHBondContact CA-OH 3.46Å; A244-Y305 PolarHBondContact N-OH 2.88Å
245K98.5Very high98.5Very high87 Ų8737.5 Ų37.538%0.37818%0.175SC..Hα-helixtrans-64-18.9174.2-78.8174.5178.2171.80114.2V241 I243 H274 K277V241-K245 HydrophobicContact CG1-CD 4.24Å; V241-K245 WeakPolarHBondContact O-CG 3.35Å; V241-K245 PolarHBondContact O-N 3.23Å; I243-K245 VanDerWaalsContact C-N 3.28Å; I243-K245 PolarHBondContact O-N 2.9Å; K245-H274 WeakPolarHBondContact CE-NE2 3.1Å; K245-H274 VanDerWaalsContact CG-CD2 3.47Å; K245-H274 WeakPolarHBondContact CG-CD2 3.46Å; K245-H274 VanDerWaalsContact CG-NE2 3.26Å; K245-H274 WeakPolarHBondContact CG-NE2 3.5Å; K245-K277 WeakPolarHBondContact O-CE 3.14Å; K245-K277 VanDerWaalsContact O-CG 3.26Å; K245-K277 WeakPolarHBondContact O-CG 3.41Å
246V98.7Very high98.5Very high12 Ų1234.5 Ų34.57%0.07316%0.158CC..Hα-helixtrans-105.9-55.8179.4-178.10000111.4F230 F231 I243 A244 G248 K277 W279 F282F230-V246 HydrophobicContact CE1-CG1 4.42Å; F231-V246 HydrophobicContact CD1-CG2 4.4Å; F231-V246 HydrophobicContact CE1-CB 3.87Å; F231-V246 HydrophobicContact CE1-CG1 4.37Å; F231-V246 HydrophobicContact CE1-CG2 3.75Å; I243-V246 WeakPolarHBondContact O-CA 3.34Å; I243-V246 PolarHBondContact O-N 3.02Å; A244-V246 PolarHBondContact O-N 3.12Å; V246-G248 VanDerWaalsContact C-N 3.27Å; V246-G248 PolarHBondContact O-N 3.44Å; V246-K277 PolarHBondContact O-N 2.69Å; V246-W279 HydrophobicContact CG1-CH2 4.09Å; V246-W279 HydrophobicContact CG1-CZ3 3.87Å; V246-F282 HydrophobicContact CB-CZ 4.37Å; V246-F282 HydrophobicContact CG1-CE2 3.8Å; V246-F282 HydrophobicContact CG1-CZ 3.76Å; V246-F282 HydrophobicContact CG2-CE1 4.49Å; V246-F282 HydrophobicContact CG2-CZ 3.78Å
247L98.7Very high98.5Very high1 Ų138.7 Ų38.71%0.00518%0.176CC..Hα-helixtrans-80.2-12.2-176.5-59.7-172.8000112.9W214 I243 R276 W279 L303 Y305W214-L247 HydrophobicContact CH2-CD1 3.67Å; W214-L247 HydrophobicContact CZ3-CD1 3.86Å; I243-L247 HydrophobicContact CG2-CD1 3.79Å; I243-L247 HydrophobicContact CG2-CG 4.16Å; I243-L247 PolarHBondContact O-N 2.87Å; L247-R276 WeakPolarHBondContact O-CB 3.2Å; L247-W279 HydrophobicContact CD2-CH2 3.97Å; L247-W279 HydrophobicContact CD2-CZ2 3.96Å; L247-L303 WeakPolarHBondContact CD1-O 3.48Å; L247-Y305 HydrophobicContact CB-CD2 4.27Å; L247-Y305 HydrophobicContact CB-CE2 3.43Å; L247-Y305 VanDerWaalsContact CB-CE2 3.43Å; L247-Y305 HydrophobicContact CD1-CD2 4.38Å; L247-Y305 HydrophobicContact CD1-CE1 4.41Å; L247-Y305 HydrophobicContact CD1-CE2 4.15Å; L247-Y305 HydrophobicContact CG-CE2 4.44Å
248G98.5Very high98.5Very high2 Ų240.8 Ų40.82%0.02119%0.186CC..  trans88.5162.5-177.300000112.6A244 V246 H274 Y305A244-G248 CarbonylContact O-C 3.51Å; A244-G248 WeakPolarHBondContact O-CA 3.42Å; A244-G248 PolarHBondContact O-N 3.46Å; V246-G248 VanDerWaalsContact C-N 3.27Å; V246-G248 PolarHBondContact O-N 3.44Å; G248-H274 CarbonylContact C-O 3.13Å; G248-H274 WeakPolarHBondContact CA-O 3.3Å; G248-Y305 WeakPolarHBondContact O-CE2 3.39Å; G248-Y305 PolarHBondContact O-OH 2.74Å
249T98.4Very high98.5Very high0 Ų040.3 Ų40.30%018%0.182CC..SBendtrans-89.7-27.7179.346.40000112.8A244 L252 Y253 H273 H274A244-T249 HydrophobicContact CB-CG2 4.06Å; T249-L252 WeakPolarHBondContact O-CB 3.26Å; T249-L252 PolarHBondContact O-N 3.29Å; T249-Y253 WeakPolarHBondContact O-CD2 3.49Å; T249-Y253 PolarHBondContact O-N 2.9Å; T249-H273 PolarHBondContact OG1-ND1 3.12Å; T249-H274 HydrophobicContact CG2-CB 4.09Å; T249-H274 PolarHBondContact N-O 3.1Å; T249-H274 PolarHBondContact OG1-N 2.89Å; T249-H274 PolarHBondContact OG1-O 3.3Å
250D98.4Very high98.4Very high82 Ų8244.6 Ų44.644%0.43921%0.205SC..Hα-helixtrans-64.2-51-175.6-57.8-17.5000110.6L252 Y253 E254 H273D250-L252 PolarHBondContact O-N 2.89Å; D250-Y253 PolarHBondContact O-N 3.46Å; D250-Y253 VanDerWaalsContact O-N 3.08Å; D250-E254 WeakPolarHBondContact O-CG 3.47Å; D250-E254 PolarHBondContact O-N 3.01Å; D250-H273 IonicContact OD1-CE1 2.63Å; D250-H273 PolarHBondContact OD1-CE1 3.14Å; D250-H273 IonicContact OD1-ND1 3.38Å; D250-H273 IonicContact OD2-CE1 3.59Å
251E97.9Very high98.4Very high61 Ų6145.4 Ų45.429%0.28521%0.21SC..Hα-helixtrans-62.2-28.8174.7-64.1-179.5-167.600113.3Y255 R276 Y305E251-Y255 WeakPolarHBondContact O-CB 3.24Å; E251-Y255 PolarHBondContact O-N 3.38Å; E251-R276 VanDerWaalsContact OE1-CD 3.29Å; E251-R276 WeakPolarHBondContact OE1-CD 3.4Å; E251-R276 IonicContact OE1-CZ 3.72Å; E251-R276 IonicContact OE1-NE 3.14Å; E251-R276 IonicContact OE1-NH1 3.6Å; E251-R276 PolarHBondContact OE1-NH1 2.92Å; E251-R276 IonicContact OE2-CZ 3.27Å; E251-R276 IonicContact OE2-NH1 3.18Å; E251-R276 PolarHBondContact OE2-NH1 2.76Å; E251-Y305 HydrophobicContact CB-CD2 3.76Å; E251-Y305 HydrophobicContact CB-CE2 4.01Å
252L98.5Very high98.2Very high0 Ų053.6 Ų53.60%025%0.249CC..Hα-helixtrans-66.9-46.5173.6172.961000110.2L240 A244 T249 D250 Y255 L256 L271 Y305L240-L252 HydrophobicContact CD1-CD1 4.3Å; L240-L252 HydrophobicContact CD1-CD2 4.42Å; L240-L252 HydrophobicContact CD2-CD2 4.3Å; L240-L252 HydrophobicContact CG-CD2 4.33Å; A244-L252 HydrophobicContact CB-CD2 4.49Å; T249-L252 WeakPolarHBondContact O-CB 3.26Å; T249-L252 PolarHBondContact O-N 3.29Å; D250-L252 PolarHBondContact O-N 2.89Å; L252-Y255 HydrophobicContact CD1-CD1 4.44Å; L252-Y255 WeakPolarHBondContact O-CB 3.47Å; L252-Y255 PolarHBondContact O-N 3.17Å; L252-L256 HydrophobicContact CD1-CD1 4.25Å; L252-L256 HydrophobicContact CD1-CG 4.25Å; L252-L256 HydrophobicContact CG-CD1 4.12Å; L252-L256 VanDerWaalsContact O-CG 3.25Å; L252-L256 WeakPolarHBondContact O-CG 3.46Å; L252-L256 PolarHBondContact O-N 3.41Å; L252-L271 HydrophobicContact CD2-CD1 3.96Å; L252-L271 HydrophobicContact CD2-CD2 4.11Å; L252-Y305 HydrophobicContact CB-CD1 4.33Å; L252-Y305 HydrophobicContact CB-CD2 4.29Å; L252-Y305 HydrophobicContact CB-CE1 3.97Å; L252-Y305 HydrophobicContact CB-CE2 3.88Å; L252-Y305 HydrophobicContact CB-CG 4.47Å; L252-Y305 HydrophobicContact CD1-CD1 3.81Å; L252-Y305 HydrophobicContact CD1-CE1 3.8Å; L252-Y305 HydrophobicContact CD1-CG 4.48Å; L252-Y305 HydrophobicContact CG-CE1 4.32Å
253Y98.3Very high98.1Very high100 Ų10051.4 Ų51.439%0.39224%0.244SC..Hα-helixtrans-67.6-37.1179.3-70.2-59.7000112.2T249 D250 Y255 L256 E257T249-Y253 WeakPolarHBondContact O-CD2 3.49Å; T249-Y253 PolarHBondContact O-N 2.9Å; D250-Y253 PolarHBondContact O-N 3.46Å; D250-Y253 VanDerWaalsContact O-N 3.08Å; Y253-Y255 VanDerWaalsContact C-N 3.34Å; Y253-Y255 PolarHBondContact O-N 3.29Å; Y253-L256 HydrophobicContact CD1-CD1 4.02Å; Y253-L256 HydrophobicContact CE1-CD1 4.42Å; Y253-L256 PolarHBondContact O-N 2.76Å; Y253-E257 WeakPolarHBondContact O-CB 3.33Å; Y253-E257 PolarHBondContact O-N 3.01Å
254E98.3Very high98Very high124 Ų12453.6 Ų53.658%0.57926%0.255SS*.Hα-helixtrans-59.5-43.7171.3-70.9173.4-175.800111.7D250 E257 K258D250-E254 WeakPolarHBondContact O-CG 3.47Å; D250-E254 PolarHBondContact O-N 3.01Å; E254-E257 PolarHBondContact O-N 3.07Å; E254-K258 VanDerWaalsContact O-CB 3.25Å; E254-K258 WeakPolarHBondContact O-CB 3.29Å; E254-K258 PolarHBondContact O-N 3.19Å
255Y98.6Very high97.9Very high5 Ų558.1 Ų58.12%0.0228%0.284CS..Hα-helixtrans-61.4-46.6174.4167.4-113.7000112.3V202 E251 L252 Y253 E257 K258 Y259 I261 D306 H307V202-Y255 HydrophobicContact CG2-CE1 4Å; E251-Y255 WeakPolarHBondContact O-CB 3.24Å; E251-Y255 PolarHBondContact O-N 3.38Å; L252-Y255 HydrophobicContact CD1-CD1 4.44Å; L252-Y255 WeakPolarHBondContact O-CB 3.47Å; L252-Y255 PolarHBondContact O-N 3.17Å; Y253-Y255 VanDerWaalsContact C-N 3.34Å; Y253-Y255 PolarHBondContact O-N 3.29Å; Y255-E257 VanDerWaalsContact C-N 3.34Å; Y255-E257 PolarHBondContact O-N 2.94Å; Y255-K258 PolarHBondContact O-N 2.82Å; Y255-Y259 AromaticContact CD2-CD2 3.45Å; Y255-Y259 HydrophobicContact CD2-CD2 3.45Å; Y255-Y259 VanDerWaalsContact CD2-CD2 3.45Å; Y255-Y259 AromaticContact CD2-CE2 3.61Å; Y255-Y259 HydrophobicContact CD2-CE2 3.61Å; Y255-Y259 AromaticContact CE2-CD2 3.32Å; Y255-Y259 HydrophobicContact CE2-CD2 3.32Å; Y255-Y259 AromaticContact CE2-CE2 3.5Å; Y255-Y259 HydrophobicContact CE2-CE2 3.5Å; Y255-Y259 HydrophobicContact CE2-CG 4.3Å; Y255-Y259 WeakPolarHBondContact O-CD2 3.39Å; Y255-Y259 PolarHBondContact O-N 2.89Å; Y255-I261 HydrophobicContact CD1-CD1 4.46Å; Y255-I261 HydrophobicContact CE1-CD1 3.8Å; Y255-I261 HydrophobicContact CE2-CD1 4.45Å; Y255-D306 HydrophobicContact CD2-CB 4Å; Y255-H307 AromaticContact CE2-ND1 3.63Å
256L98.2Very high97.8Very high11 Ų1160.8 Ų60.86%0.05829%0.292CS..Hα-helixtrans-61.8-42.9178.9-67.5171000111.7V202 L252 Y253 N260 I261 L263V202-L256 HydrophobicContact CB-CD2 3.99Å; V202-L256 HydrophobicContact CG1-CD2 4Å; V202-L256 HydrophobicContact CG2-CD2 4.12Å; L252-L256 HydrophobicContact CD1-CD1 4.25Å; L252-L256 HydrophobicContact CD1-CG 4.25Å; L252-L256 HydrophobicContact CG-CD1 4.12Å; L252-L256 VanDerWaalsContact O-CG 3.25Å; L252-L256 WeakPolarHBondContact O-CG 3.46Å; L252-L256 PolarHBondContact O-N 3.41Å; Y253-L256 HydrophobicContact CD1-CD1 4.02Å; Y253-L256 HydrophobicContact CE1-CD1 4.42Å; Y253-L256 PolarHBondContact O-N 2.76Å; L256-N260 WeakPolarHBondContact O-CA 3.47Å; L256-N260 PolarHBondContact O-N 3.5Å; L256-I261 HydrophobicContact CD2-CB 3.71Å; L256-I261 HydrophobicContact CD2-CD1 4.25Å; L256-I261 HydrophobicContact CD2-CG2 3.64Å; L256-I261 PolarHBondContact O-N 3.04Å; L256-L263 HydrophobicContact CD1-CB 4.24Å; L256-L263 HydrophobicContact CD1-CD1 4.17Å; L256-L263 HydrophobicContact CD1-CD2 3.92Å; L256-L263 HydrophobicContact CD1-CG 4.34Å; L256-L263 HydrophobicContact CD2-CD1 4.27Å
257E98Very high97.7Very high162 Ų16260.3 Ų60.376%0.75729%0.289SS*.Hα-helixtrans-64-49.4175.9-176.8175.1-165.800111.1Y253 E254 Y255 Y259 N260Y253-E257 WeakPolarHBondContact O-CB 3.33Å; Y253-E257 PolarHBondContact O-N 3.01Å; E254-E257 PolarHBondContact O-N 3.07Å; Y255-E257 VanDerWaalsContact C-N 3.34Å; Y255-E257 PolarHBondContact O-N 2.94Å; E257-Y259 PolarHBondContact O-N 2.93Å; E257-N260 PolarHBondContact O-N 3.38Å
258K98.3Very high97.4Very high103 Ų10365.7 Ų65.745%0.44832%0.318SS..Hα-helixtrans-53.1-41.1-179.4178.4176.3178.5177.70112.6L3 E254 Y255 D306L3-K258 VanDerWaalsContact CD1-O 3.24Å; L3-K258 WeakPolarHBondContact CD1-O 3.3Å; E254-K258 VanDerWaalsContact O-CB 3.25Å; E254-K258 WeakPolarHBondContact O-CB 3.29Å; E254-K258 PolarHBondContact O-N 3.19Å; Y255-K258 PolarHBondContact O-N 2.82Å; K258-D306 VanDerWaalsContact CD-OD2 3.29Å; K258-D306 WeakPolarHBondContact CD-OD2 3.14Å; K258-D306 VanDerWaalsContact CE-OD2 3.29Å; K258-D306 WeakPolarHBondContact CE-OD2 3.08Å; K258-D306 IonicContact NZ-OD2 3.57Å; K258-D306 PolarHBondContact NZ-OD2 3.01Å
259Y98.4Very high97.1Very high15 Ų1572.7 Ų72.76%0.05936%0.355CS..THydrogen-bonded Turntrans-99.95.5-178.9-68.8-79.8000114A2 L3 F204 Y255 E257 I261 D306 H307 Q308A2-Y259 CarbonylContact C-O 3.45Å; A2-Y259 VanDerWaalsContact CA-O 3.28Å; A2-Y259 WeakPolarHBondContact CA-O 3.47Å; L3-Y259 PolarHBondContact N-O 2.94Å; F204-Y259 HydrophobicContact CE1-CD1 4.5Å; F204-Y259 HydrophobicContact CE2-CD1 4.19Å; F204-Y259 HydrophobicContact CE2-CG 4.33Å; F204-Y259 AromaticContact CZ-CD1 3.76Å; F204-Y259 HydrophobicContact CZ-CD1 3.76Å; F204-Y259 HydrophobicContact CZ-CE1 4.44Å; F204-Y259 HydrophobicContact CZ-CG 4.22Å; Y255-Y259 AromaticContact CD2-CD2 3.45Å; Y255-Y259 HydrophobicContact CD2-CD2 3.45Å; Y255-Y259 VanDerWaalsContact CD2-CD2 3.45Å; Y255-Y259 AromaticContact CD2-CE2 3.61Å; Y255-Y259 HydrophobicContact CD2-CE2 3.61Å; Y255-Y259 AromaticContact CE2-CD2 3.32Å; Y255-Y259 HydrophobicContact CE2-CD2 3.32Å; Y255-Y259 AromaticContact CE2-CE2 3.5Å; Y255-Y259 HydrophobicContact CE2-CE2 3.5Å; Y255-Y259 HydrophobicContact CE2-CG 4.3Å; Y255-Y259 WeakPolarHBondContact O-CD2 3.39Å; Y255-Y259 PolarHBondContact O-N 2.89Å; E257-Y259 PolarHBondContact O-N 2.93Å; Y259-I261 VanDerWaalsContact C-N 3.29Å; Y259-I261 PolarHBondContact O-N 3.2Å; Y259-D306 PolarHBondContact OH-OD1 3.47Å; Y259-D306 VanDerWaalsContact OH-OD1 3.04Å; Y259-H307 AromaticContact CE1-CE1 3.8Å; Y259-H307 AromaticContact CE2-CE1 3.97Å; Y259-H307 AromaticContact CZ-CE1 3.63Å; Y259-Q308 WeakPolarHBondContact OH-CG 3.43Å
260N97.8Very high97.1Very high90 Ų9076.1 Ų76.148%0.48137%0.372SS..THydrogen-bonded Turntrans51.146.7-176.3-167.533000112.7M1 L256 E257M1-N260 PolarHBondContact O-ND2 2.63Å; L256-N260 WeakPolarHBondContact O-CA 3.47Å; L256-N260 PolarHBondContact O-N 3.5Å; E257-N260 PolarHBondContact O-N 3.38Å
261I97.7Very high97Very high18 Ų1872.2 Ų72.29%0.09235%0.352CS..  trans-86.9121.4-178.7-60.9167.4000108.8V202 F204 Y255 L256 Y259 L263V202-I261 HydrophobicContact CB-CG2 4.1Å; V202-I261 HydrophobicContact CG2-CD1 4.01Å; V202-I261 HydrophobicContact CG2-CG2 3.94Å; V202-I261 WeakPolarHBondContact O-CG2 3.24Å; F204-I261 HydrophobicContact CB-CD1 3.87Å; F204-I261 HydrophobicContact CB-CG1 4.42Å; F204-I261 HydrophobicContact CD2-CD1 3.66Å; F204-I261 HydrophobicContact CD2-CG1 3.68Å; F204-I261 HydrophobicContact CE2-CD1 4.39Å; F204-I261 HydrophobicContact CE2-CG1 4.33Å; F204-I261 HydrophobicContact CG-CD1 3.86Å; F204-I261 HydrophobicContact CG-CG1 4.34Å; Y255-I261 HydrophobicContact CD1-CD1 4.46Å; Y255-I261 HydrophobicContact CE1-CD1 3.8Å; Y255-I261 HydrophobicContact CE2-CD1 4.45Å; L256-I261 HydrophobicContact CD2-CB 3.71Å; L256-I261 HydrophobicContact CD2-CD1 4.25Å; L256-I261 HydrophobicContact CD2-CG2 3.64Å; L256-I261 PolarHBondContact O-N 3.04Å; Y259-I261 VanDerWaalsContact C-N 3.29Å; Y259-I261 PolarHBondContact O-N 3.2Å; I261-L263 PolarHBondContact O-N 3.3Å
262M95.6Very high96.8Very high175 Ų17571.6 Ų71.686%0.86236%0.361SS*.  trans-80.5108171.8-68.4-169.7-5900109.6
263L95.8Very high96.8Very high32 Ų3278 Ų7817%0.16839%0.391CS..  trans-70.1137177.7-166.866.3000110.9V202 L240 L256 I261 F267 L271V202-L263 HydrophobicContact CB-CD1 4.13Å; V202-L263 HydrophobicContact CG1-CD1 3.78Å; L240-L263 HydrophobicContact CD2-CD1 4.35Å; L256-L263 HydrophobicContact CD1-CB 4.24Å; L256-L263 HydrophobicContact CD1-CD1 4.17Å; L256-L263 HydrophobicContact CD1-CD2 3.92Å; L256-L263 HydrophobicContact CD1-CG 4.34Å; L256-L263 HydrophobicContact CD2-CD1 4.27Å; I261-L263 PolarHBondContact O-N 3.3Å; L263-F267 HydrophobicContact CD1-CB 4.39Å; L263-F267 HydrophobicContact CD1-CD2 3.44Å; L263-F267 VanDerWaalsContact CD1-CD2 3.44Å; L263-F267 HydrophobicContact CD1-CE2 3.86Å; L263-F267 HydrophobicContact CD1-CG 4.04Å; L263-F267 HydrophobicContact CD2-CB 3.57Å; L263-F267 HydrophobicContact CD2-CD2 4.23Å; L263-F267 HydrophobicContact CD2-CG 4.1Å; L263-F267 HydrophobicContact CG-CB 3.81Å; L263-F267 HydrophobicContact CG-CD2 3.59Å; L263-F267 HydrophobicContact CG-CE2 4.48Å; L263-F267 HydrophobicContact CG-CG 3.98Å; L263-L271 HydrophobicContact CD2-CD1 3.68Å
264D96.9Very high96.8Very high46 Ų4675.3 Ų75.325%0.24638%0.382CS..  trans-56.2129.5175.9-175.4-41.7000110.3Y237 R266 F267Y237-D264 HydrophobicContact CE1-CB 4.18Å; Y237-D264 PolarHBondContact OH-OD2 3.39Å; D264-R266 PolarHBondContact O-N 2.92Å; D264-R266 WeakPolarHBondContact OD1-CB 3.49Å; D264-R266 WeakPolarHBondContact OD1-CG 3.41Å; D264-R266 IonicContact OD1-CZ 3.75Å; D264-R266 PolarHBondContact OD1-N 2.84Å; D264-R266 IonicContact OD1-NE 2.94Å; D264-R266 PolarHBondContact OD1-NE 2.84Å; D264-R266 VanDerWaalsContact OD1-NE 3.08Å; D264-R266 IonicContact OD2-CZ 3.92Å; D264-R266 IonicContact OD2-NE 3.19Å; D264-R266 PolarHBondContact OD2-NE 2.86Å; D264-R266 IonicContact OD2-NH2 2.94Å; D264-R266 PolarHBondContact OD2-NH2 3.33Å; D264-F267 HydrophobicContact CB-CD2 3.88Å; D264-F267 HydrophobicContact CB-CE2 4.13Å; D264-F267 WeakPolarHBondContact O-CB 3.44Å; D264-F267 WeakPolarHBondContact O-CD2 3.34Å; D264-F267 PolarHBondContact O-N 3.19Å
265P96.3Very high96.7Very high94 Ų9472.6 Ų72.661%0.6138%0.376SS*.G310 helixtrans-54.6-23.8-177.6-2835000114.8F267 N268P265-F267 PolarHBondContact O-N 3.4Å; P265-F267 VanDerWaalsContact O-N 3.15Å; P265-N268 VanDerWaalsContact O-CB 3.31Å; P265-N268 WeakPolarHBondContact O-CB 3.41Å; P265-N268 PolarHBondContact O-N 3.49Å; P265-N268 VanDerWaalsContact O-N 3.1Å; P265-N268 PolarHBondContact O-ND2 2.88Å
266R95.7Very high96.7Very high143 Ų14376 Ų7654%0.5439%0.389SS..G310 helixtrans-58.4-23.5173.8-72.9178.8-79.4-172.1-15.5113.6Y237 D264 N268Y237-R266 HydrophobicContact CD1-CB 4.01Å; Y237-R266 HydrophobicContact CE1-CB 3.87Å; Y237-R266 VanDerWaalsContact CE2-NH1 3.25Å; Y237-R266 PolarHBondContact OH-NE 2.83Å; Y237-R266 PolarHBondContact OH-NH1 3.49Å; Y237-R266 PolarHBondContact OH-NH2 2.93Å; D264-R266 PolarHBondContact O-N 2.92Å; D264-R266 WeakPolarHBondContact OD1-CB 3.49Å; D264-R266 WeakPolarHBondContact OD1-CG 3.41Å; D264-R266 IonicContact OD1-CZ 3.75Å; D264-R266 PolarHBondContact OD1-N 2.84Å; D264-R266 IonicContact OD1-NE 2.94Å; D264-R266 PolarHBondContact OD1-NE 2.84Å; D264-R266 VanDerWaalsContact OD1-NE 3.08Å; D264-R266 IonicContact OD2-CZ 3.92Å; D264-R266 IonicContact OD2-NE 3.19Å; D264-R266 PolarHBondContact OD2-NE 2.86Å; D264-R266 IonicContact OD2-NH2 2.94Å; D264-R266 PolarHBondContact OD2-NH2 3.33Å; R266-N268 VanDerWaalsContact C-N 3.33Å
267F96.7Very high96.7Very high2 Ų277.7 Ų77.71%0.00940%0.396CS..G310 helixtrans-74.3-22.2178-75.8-65.7000113.9Y237 L240 L263 D264 P265 D269 I270 L271Y237-F267 HydrophobicContact CD1-CD1 4.09Å; Y237-F267 HydrophobicContact CD1-CD2 4.16Å; Y237-F267 AromaticContact CD1-CE1 3.63Å; Y237-F267 HydrophobicContact CD1-CE1 3.63Å; Y237-F267 AromaticContact CD1-CE2 3.74Å; Y237-F267 HydrophobicContact CD1-CE2 3.74Å; Y237-F267 HydrophobicContact CD1-CG 4.34Å; Y237-F267 AromaticContact CD1-CZ 3.45Å; Y237-F267 HydrophobicContact CD1-CZ 3.45Å; Y237-F267 VanDerWaalsContact CD1-CZ 3.45Å; Y237-F267 HydrophobicContact CE1-CD2 4.13Å; Y237-F267 HydrophobicContact CE1-CE1 4.4Å; Y237-F267 AromaticContact CE1-CE2 3.67Å; Y237-F267 HydrophobicContact CE1-CE2 3.67Å; Y237-F267 AromaticContact CE1-CZ 3.81Å; Y237-F267 HydrophobicContact CE1-CZ 3.81Å; Y237-F267 HydrophobicContact CG-CE1 4.33Å; Y237-F267 HydrophobicContact CG-CZ 4.29Å; L240-F267 HydrophobicContact CB-CE1 3.77Å; L240-F267 HydrophobicContact CB-CZ 4.17Å; L240-F267 HydrophobicContact CD2-CD1 4.02Å; L240-F267 HydrophobicContact CD2-CE1 3.57Å; L240-F267 HydrophobicContact CD2-CE2 4.2Å; L240-F267 HydrophobicContact CD2-CZ 3.66Å; L240-F267 HydrophobicContact CG-CE1 4.23Å; L263-F267 HydrophobicContact CD1-CB 4.39Å; L263-F267 HydrophobicContact CD1-CD2 3.44Å; L263-F267 VanDerWaalsContact CD1-CD2 3.44Å; L263-F267 HydrophobicContact CD1-CE2 3.86Å; L263-F267 HydrophobicContact CD1-CG 4.04Å; L263-F267 HydrophobicContact CD2-CB 3.57Å; L263-F267 HydrophobicContact CD2-CD2 4.23Å; L263-F267 HydrophobicContact CD2-CG 4.1Å; L263-F267 HydrophobicContact CG-CB 3.81Å; L263-F267 HydrophobicContact CG-CD2 3.59Å; L263-F267 HydrophobicContact CG-CE2 4.48Å; L263-F267 HydrophobicContact CG-CG 3.98Å; D264-F267 HydrophobicContact CB-CD2 3.88Å; D264-F267 HydrophobicContact CB-CE2 4.13Å; D264-F267 WeakPolarHBondContact O-CB 3.44Å; D264-F267 WeakPolarHBondContact O-CD2 3.34Å; D264-F267 PolarHBondContact O-N 3.19Å; P265-F267 PolarHBondContact O-N 3.4Å; P265-F267 VanDerWaalsContact O-N 3.15Å; F267-D269 PolarHBondContact O-N 3.41Å; F267-I270 HydrophobicContact CD1-CD1 3.87Å; F267-I270 HydrophobicContact CD1-CG1 4.15Å; F267-I270 HydrophobicContact CE1-CD1 4.28Å; F267-I270 PolarHBondContact O-N 3.16Å; F267-L271 HydrophobicContact CB-CD1 3.85Å; F267-L271 HydrophobicContact CB-CG 4.11Å; F267-L271 HydrophobicContact CD1-CD1 4.28Å; F267-L271 HydrophobicContact CD1-CD2 4.25Å; F267-L271 HydrophobicContact CD1-CG 4.03Å; F267-L271 HydrophobicContact CG-CD1 4.32Å; F267-L271 HydrophobicContact CG-CG 4.47Å; F267-L271 PolarHBondContact O-N 3.47Å; F267-L271 VanDerWaalsContact O-N 3.13Å
268N92.6Very high96.8Very high114 Ų11478.4 Ų78.461%0.6139%0.392SS*.THydrogen-bonded Turntrans-57.2-36-175.4-67.4-12.6000112.3P265 R266P265-N268 VanDerWaalsContact O-CB 3.31Å; P265-N268 WeakPolarHBondContact O-CB 3.41Å; P265-N268 PolarHBondContact O-N 3.49Å; P265-N268 VanDerWaalsContact O-N 3.1Å; P265-N268 PolarHBondContact O-ND2 2.88Å; R266-N268 VanDerWaalsContact C-N 3.33Å
269D93.9Very high96.8Very high149 Ų14974.1 Ų74.180%0.79737%0.373SS*.THydrogen-bonded Turntrans-92.7-12.2-175-59-38000113.7F267F267-D269 PolarHBondContact O-N 3.41Å
270I97.1Very high96.8Very high72 Ų7277.8 Ų77.837%0.36939%0.391SS..THydrogen-bonded Turntrans-118.4-23.3-168.364.9172.7000115.1Y237 V241 F267Y237-I270 HydrophobicContact CD1-CD1 4.43Å; V241-I270 HydrophobicContact CG2-CB 4.08Å; V241-I270 HydrophobicContact CG2-CD1 3.87Å; V241-I270 HydrophobicContact CG2-CG1 3.82Å; V241-I270 WeakPolarHBondContact CG2-O 3.41Å; F267-I270 HydrophobicContact CD1-CD1 3.87Å; F267-I270 HydrophobicContact CD1-CG1 4.15Å; F267-I270 HydrophobicContact CE1-CD1 4.28Å; F267-I270 PolarHBondContact O-N 3.16Å
271L96.3Very high96.8Very high1 Ų182.3 Ų82.31%0.00540%0.401CS..SBendtrans-71.4-38.8-180-77.6176.5000112.1L240 V241 A244 L252 L263 F267 H274L240-L271 HydrophobicContact CD2-CD2 4.29Å; L240-L271 HydrophobicContact CG-CD2 4.14Å; V241-L271 HydrophobicContact CG2-CD2 4.09Å; A244-L271 HydrophobicContact CB-CD2 4.07Å; L252-L271 HydrophobicContact CD2-CD1 3.96Å; L252-L271 HydrophobicContact CD2-CD2 4.11Å; L263-L271 HydrophobicContact CD2-CD1 3.68Å; F267-L271 HydrophobicContact CB-CD1 3.85Å; F267-L271 HydrophobicContact CB-CG 4.11Å; F267-L271 HydrophobicContact CD1-CD1 4.28Å; F267-L271 HydrophobicContact CD1-CD2 4.25Å; F267-L271 HydrophobicContact CD1-CG 4.03Å; F267-L271 HydrophobicContact CG-CD1 4.32Å; F267-L271 HydrophobicContact CG-CG 4.47Å; F267-L271 PolarHBondContact O-N 3.47Å; F267-L271 VanDerWaalsContact O-N 3.13Å; L271-H274 PolarHBondContact O-CD2 3.34Å; L271-H274 VanDerWaalsContact O-CD2 3.22Å; L271-H274 PolarHBondContact O-NE2 3.18Å
272G94.5Very high96.8Very high47 Ų4783.1 Ų83.149%0.48540%0.404SS..  trans58.4-155.4-172.700000112.4
273H97.1Very high97Very high134 Ų13477.2 Ų77.262%0.6238%0.378SS*.  trans-120.5129.2172.3-179.478.2000109.8T249 D250T249-H273 PolarHBondContact OG1-ND1 3.12Å; D250-H273 IonicContact OD1-CE1 2.63Å; D250-H273 PolarHBondContact OD1-CE1 3.14Å; D250-H273 IonicContact OD1-ND1 3.38Å; D250-H273 IonicContact OD2-CE1 3.59Å
274H98.1Very high97.1Very high45 Ų4579.6 Ų79.621%0.20839%0.388CS..  trans-138.1128.4-176.6-64.9-46.2000110.9A244 K245 G248 T249 L271A244-H274 WeakPolarHBondContact O-CB 3.4Å; K245-H274 WeakPolarHBondContact CE-NE2 3.1Å; K245-H274 VanDerWaalsContact CG-CD2 3.47Å; K245-H274 WeakPolarHBondContact CG-CD2 3.46Å; K245-H274 VanDerWaalsContact CG-NE2 3.26Å; K245-H274 WeakPolarHBondContact CG-NE2 3.5Å; G248-H274 CarbonylContact C-O 3.13Å; G248-H274 WeakPolarHBondContact CA-O 3.3Å; T249-H274 HydrophobicContact CG2-CB 4.09Å; T249-H274 PolarHBondContact N-O 3.1Å; T249-H274 PolarHBondContact OG1-N 2.89Å; T249-H274 PolarHBondContact OG1-O 3.3Å; L271-H274 PolarHBondContact O-CD2 3.34Å; L271-H274 VanDerWaalsContact O-CD2 3.22Å; L271-H274 PolarHBondContact O-NE2 3.18Å
275S98Very high97.1Very high66 Ų6681.8 Ų81.846%0.46241%0.407SS..PPolyproline II helixtrans-72.3144.8168.877.10000111K277S275-K277 WeakPolarHBondContact O-CD 3.21Å; S275-K277 VanDerWaalsContact O-CE 3.26Å; S275-K277 WeakPolarHBondContact O-CE 3.27Å; S275-K277 PolarHBondContact O-N 2.76Å; S275-K277 PolarHBondContact O-NZ 3.31Å; S275-K277 PolarHBondContact OG-NZ 3.17Å
276R98.5Very high97.2Very high76 Ų7684 Ų8429%0.28741%0.409SS..PPolyproline II helixtrans-52.6134168-175.3-178.2-174.891.10.4110.1L247 E251 D300L247-R276 WeakPolarHBondContact O-CB 3.2Å; E251-R276 VanDerWaalsContact OE1-CD 3.29Å; E251-R276 WeakPolarHBondContact OE1-CD 3.4Å; E251-R276 IonicContact OE1-CZ 3.72Å; E251-R276 IonicContact OE1-NE 3.14Å; E251-R276 IonicContact OE1-NH1 3.6Å; E251-R276 PolarHBondContact OE1-NH1 2.92Å; E251-R276 IonicContact OE2-CZ 3.27Å; E251-R276 IonicContact OE2-NH1 3.18Å; E251-R276 PolarHBondContact OE2-NH1 2.76Å; R276-D300 IonicContact CZ-OD1 3.06Å; R276-D300 VanDerWaalsContact NH2-CG 3.32Å; R276-D300 IonicContact NH2-OD1 3.76Å; R276-D300 PolarHBondContact NH2-OD1 3.08Å; R276-D300 IonicContact NH2-OD2 3.91Å; R276-D300 PolarHBondContact NH2-OD2 2.63Å
277K98.5Very high97.3Very high47 Ų4777.1 Ų77.120%0.20438%0.383CS..PPolyproline II helixtrans-95.7137.5178.1-53.4-52.9175.6-146.70109.4K245 V246 S275K245-K277 WeakPolarHBondContact O-CE 3.14Å; K245-K277 VanDerWaalsContact O-CG 3.26Å; K245-K277 WeakPolarHBondContact O-CG 3.41Å; V246-K277 PolarHBondContact O-N 2.69Å; S275-K277 WeakPolarHBondContact O-CD 3.21Å; S275-K277 VanDerWaalsContact O-CE 3.26Å; S275-K277 WeakPolarHBondContact O-CE 3.27Å; S275-K277 PolarHBondContact O-N 2.76Å; S275-K277 PolarHBondContact O-NZ 3.31Å; S275-K277 PolarHBondContact OG-NZ 3.17Å
278R98.4Very high97.3Very high178 Ų17883 Ų8367%0.67241%0.41SS*.PPolyproline II helixtrans-64135.5165-78.4-169.266.5-171.76.8110.3E280 R281R278-E280 WeakPolarHBondContact CB-OE2 3.47Å; R278-E280 IonicContact CZ-OE1 3.1Å; R278-E280 IonicContact CZ-OE2 3.01Å; R278-E280 IonicContact NE-OE1 2.85Å; R278-E280 IonicContact NE-OE2 3.4Å; R278-E280 PolarHBondContact NE-OE2 3.45Å; R278-E280 IonicContact NH2-OE1 3.54Å; R278-E280 PolarHBondContact NH2-OE1 3.29Å; R278-E280 IonicContact NH2-OE2 2.9Å; R278-E280 PolarHBondContact O-N 2.87Å; R278-R281 VanDerWaalsContact O-CB 3.24Å; R278-R281 WeakPolarHBondContact O-CB 3.25Å; R278-R281 PolarHBondContact O-N 3.25Å; R278-R281 VanDerWaalsContact O-N 3.12Å
279W98.7Very high97.6Very high13 Ų1382.9 Ų82.95%0.04941%0.406CS..G310 helixtrans-62.1-28-179-66.8115000113F225 F230 V246 L247 R281 F282 L296 L299 D300 L303F225-W279 AromaticContact CE2-CE3 3.94Å; F225-W279 HydrophobicContact CE2-CE3 3.94Å; F225-W279 HydrophobicContact CE2-CZ3 4.42Å; F225-W279 HydrophobicContact CZ-CB 4.29Å; F225-W279 HydrophobicContact CZ-CE3 4.15Å; F230-W279 AromaticContact CE1-CZ3 3.92Å; F230-W279 HydrophobicContact CE1-CZ3 3.92Å; F230-W279 HydrophobicContact CZ-CE3 4.45Å; F230-W279 AromaticContact CZ-CZ3 3.83Å; F230-W279 HydrophobicContact CZ-CZ3 3.83Å; V246-W279 HydrophobicContact CG1-CH2 4.09Å; V246-W279 HydrophobicContact CG1-CZ3 3.87Å; L247-W279 HydrophobicContact CD2-CH2 3.97Å; L247-W279 HydrophobicContact CD2-CZ2 3.96Å; W279-R281 PolarHBondContact O-N 3.45Å; W279-F282 AromaticContact CE3-CD2 3.99Å; W279-F282 HydrophobicContact CE3-CD2 3.99Å; W279-F282 HydrophobicContact CE3-CE2 4Å; W279-F282 HydrophobicContact CZ3-CE2 4.29Å; W279-F282 WeakPolarHBondContact O-CD2 3.24Å; W279-F282 PolarHBondContact O-N 3.37Å; W279-L296 HydrophobicContact CB-CB 4.38Å; W279-L296 HydrophobicContact CB-CD1 4.06Å; W279-L296 HydrophobicContact CB-CD2 3.69Å; W279-L296 HydrophobicContact CB-CG 4.25Å; W279-L296 HydrophobicContact CG-CD2 4.37Å; W279-L299 HydrophobicContact CD2-CD2 4.17Å; W279-L299 HydrophobicContact CE3-CD2 3.87Å; W279-L299 HydrophobicContact CH2-CD2 4.11Å; W279-L299 HydrophobicContact CH2-CG 4.32Å; W279-L299 HydrophobicContact CZ2-CD2 4.37Å; W279-L299 HydrophobicContact CZ2-CG 4.29Å; W279-L299 HydrophobicContact CZ3-CD2 3.84Å; W279-D300 PolarHBondContact NE1-OD1 3.07Å; W279-L303 HydrophobicContact CH2-CB 4.31Å; W279-L303 HydrophobicContact CH2-CD1 3.67Å; W279-L303 HydrophobicContact CZ2-CB 4.36Å; W279-L303 HydrophobicContact CZ2-CD1 4.38Å; W279-L303 HydrophobicContact CZ3-CD1 4.39Å
280E98Very high97.8Very high91 Ų9175.8 Ų75.843%0.42537%0.368SS..G310 helixtrans-58.5-20.4176.4-61.190.8150.500112.8R278 F282 V283 L296R278-E280 WeakPolarHBondContact CB-OE2 3.47Å; R278-E280 IonicContact CZ-OE1 3.1Å; R278-E280 IonicContact CZ-OE2 3.01Å; R278-E280 IonicContact NE-OE1 2.85Å; R278-E280 IonicContact NE-OE2 3.4Å; R278-E280 PolarHBondContact NE-OE2 3.45Å; R278-E280 IonicContact NH2-OE1 3.54Å; R278-E280 PolarHBondContact NH2-OE1 3.29Å; R278-E280 IonicContact NH2-OE2 2.9Å; R278-E280 PolarHBondContact O-N 2.87Å; E280-F282 PolarHBondContact O-N 3.09Å; E280-V283 WeakPolarHBondContact O-CB 3.34Å; E280-V283 PolarHBondContact O-N 3.03Å; E280-V283 VanDerWaalsContact O-N 3.14Å; E280-L296 HydrophobicContact CG-CD1 4.16Å
281R98.1Very high97.9Very high185 Ų18573.7 Ų73.770%0.69836%0.358SS*.G310 helixtrans-60.9-25.6173.7-177.7174.2178.5141.41.6113.2R278 W279R278-R281 VanDerWaalsContact O-CB 3.24Å; R278-R281 WeakPolarHBondContact O-CB 3.25Å; R278-R281 PolarHBondContact O-N 3.25Å; R278-R281 VanDerWaalsContact O-N 3.12Å; W279-R281 PolarHBondContact O-N 3.45Å
282F98.5Very high98Very high36 Ų3674.6 Ų74.616%0.15837%0.365CS..G310 helixtrans-93.3-0.8-179.3-54.2-73.8000112.8F225 F230 V246 W279 E280 N287F225-F282 HydrophobicContact CB-CB 4.43Å; F225-F282 HydrophobicContact CD1-CB 3.55Å; F225-F282 HydrophobicContact CD2-CB 4.16Å; F225-F282 HydrophobicContact CE1-CB 3.7Å; F225-F282 HydrophobicContact CE2-CB 4.26Å; F225-F282 HydrophobicContact CE2-CD2 4.44Å; F225-F282 HydrophobicContact CG-CB 3.8Å; F225-F282 HydrophobicContact CZ-CB 4.06Å; F225-F282 HydrophobicContact CZ-CD2 4.43Å; F230-F282 HydrophobicContact CE2-CD1 4.1Å; F230-F282 HydrophobicContact CE2-CD2 4.38Å; F230-F282 HydrophobicContact CE2-CE1 4.42Å; F230-F282 HydrophobicContact CE2-CG 4.08Å; F230-F282 HydrophobicContact CZ-CD1 4.15Å; F230-F282 AromaticContact CZ-CD2 3.99Å; F230-F282 HydrophobicContact CZ-CD2 3.99Å; F230-F282 HydrophobicContact CZ-CE1 4.09Å; F230-F282 AromaticContact CZ-CE2 3.93Å; F230-F282 HydrophobicContact CZ-CE2 3.93Å; F230-F282 HydrophobicContact CZ-CG 4.11Å; F230-F282 AromaticContact CZ-CZ 3.98Å; F230-F282 HydrophobicContact CZ-CZ 3.98Å; V246-F282 HydrophobicContact CB-CZ 4.37Å; V246-F282 HydrophobicContact CG1-CE2 3.8Å; V246-F282 HydrophobicContact CG1-CZ 3.76Å; V246-F282 HydrophobicContact CG2-CE1 4.49Å; V246-F282 HydrophobicContact CG2-CZ 3.78Å; W279-F282 AromaticContact CE3-CD2 3.99Å; W279-F282 HydrophobicContact CE3-CD2 3.99Å; W279-F282 HydrophobicContact CE3-CE2 4Å; W279-F282 HydrophobicContact CZ3-CE2 4.29Å; W279-F282 WeakPolarHBondContact O-CD2 3.24Å; W279-F282 PolarHBondContact O-N 3.37Å; E280-F282 PolarHBondContact O-N 3.09Å; F282-N287 PolarHBondContact O-ND2 2.88Å
283V98.6Very high98.2Very high51 Ų5177.1 Ų77.131%0.30937%0.373SS..  trans-87131.3-179.8-174.70000110F225 E280 N287 Q288 V291F225-V283 HydrophobicContact CE1-CG2 4.07Å; E280-V283 WeakPolarHBondContact O-CB 3.34Å; E280-V283 PolarHBondContact O-N 3.03Å; E280-V283 VanDerWaalsContact O-N 3.14Å; V283-N287 WeakPolarHBondContact CA-OD1 3.33Å; V283-Q288 HydrophobicContact CG1-CB 3.9Å; V283-V291 HydrophobicContact CG2-CB 4.25Å; V283-V291 HydrophobicContact CG2-CG1 3.78Å; V283-V291 HydrophobicContact CG2-CG2 4.25Å
284H98.2Very high98.3Very high82 Ų8274.4 Ų74.438%0.3836%0.36SS..  trans-145.4175.4174.356.893.7000110.6E286 N287 Q288H284-E286 IonicContact CE1-OE2 3.55Å; H284-E286 IonicContact ND1-OE2 3.65Å; H284-E286 PolarHBondContact O-N 3.11Å; H284-E286 VanDerWaalsContact O-N 3.08Å; H284-N287 PolarHBondContact CD2-ND2 3.2Å; H284-N287 PolarHBondContact N-OD1 2.91Å; H284-N287 PolarHBondContact NE2-ND2 3.27Å; H284-N287 VanDerWaalsContact NE2-ND2 3.1Å; H284-N287 PolarHBondContact O-N 3.32Å; H284-N287 PolarHBondContact O-OD1 3.14Å; H284-N287 VanDerWaalsContact O-OD1 3.06Å; H284-Q288 WeakPolarHBondContact O-CB 3.38Å; H284-Q288 PolarHBondContact O-N 2.93Å
285S98Very high98.3Very high92 Ų9272.3 Ų72.364%0.64335%0.35SS*.THydrogen-bonded Turntrans-54.2-32.4-173.849.90000114.3
286E96.8Very high98.3Very high139 Ų13970.1 Ų70.165%0.6533%0.333SS*.THydrogen-bonded Turntrans-81.1-18-177.3-51.9179.216000113.7H284 H289H284-E286 IonicContact CE1-OE2 3.55Å; H284-E286 IonicContact ND1-OE2 3.65Å; H284-E286 PolarHBondContact O-N 3.11Å; H284-E286 VanDerWaalsContact O-N 3.08Å; E286-H289 PolarHBondContact O-CE1 3.41Å; E286-H289 PolarHBondContact O-ND1 2.9Å
287N98.1Very high98.4Very high0 Ų069.7 Ų69.70%034%0.337CS..THydrogen-bonded Turntrans-122.9-11.3-175.474.712.4000114F225 R226 F282 V283 H284 H289 L290F225-N287 WeakPolarHBondContact CA-ND2 3.13Å; F225-N287 PolarHBondContact O-ND2 3.28Å; R226-N287 HydrophobicContact CB-CB 4.33Å; R226-N287 HydrophobicContact CG-CB 3.92Å; F282-N287 PolarHBondContact O-ND2 2.88Å; V283-N287 WeakPolarHBondContact CA-OD1 3.33Å; H284-N287 PolarHBondContact CD2-ND2 3.2Å; H284-N287 PolarHBondContact N-OD1 2.91Å; H284-N287 PolarHBondContact NE2-ND2 3.27Å; H284-N287 VanDerWaalsContact NE2-ND2 3.1Å; H284-N287 PolarHBondContact O-N 3.32Å; H284-N287 PolarHBondContact O-OD1 3.14Å; H284-N287 VanDerWaalsContact O-OD1 3.06Å; N287-H289 PolarHBondContact O-N 3.4Å; N287-L290 WeakPolarHBondContact O-CB 3.45Å; N287-L290 PolarHBondContact O-N 3.18Å
288Q98.2Very high98.4Very high124 Ų12467.5 Ų67.558%0.57933%0.327SS*.G310 helixtrans-54.6-26.9-177.866.7179.47.700114.3V283 H284 L290 V291V283-Q288 HydrophobicContact CG1-CB 3.9Å; H284-Q288 WeakPolarHBondContact O-CB 3.38Å; H284-Q288 PolarHBondContact O-N 2.93Å; Q288-L290 PolarHBondContact O-N 2.95Å; Q288-V291 PolarHBondContact O-N 3.14Å
289H98.2Very high98.4Very high112 Ų11259 Ų5952%0.51930%0.295SS..G310 helixtrans-73.8-10.2178.566.5-84.9000113.8E286 N287E286-H289 PolarHBondContact O-CE1 3.41Å; E286-H289 PolarHBondContact O-ND1 2.9Å; N287-H289 PolarHBondContact O-N 3.4Å
290L98.5Very high98.4Very high1 Ų160 Ų601%0.00530%0.302CS..G310 helixtrans-106.9-5.2177.7-52.1173.2000112.4D128 I131 I224 R226 N287 Q288D128-L290 HydrophobicContact CB-CD2 4.35Å; I131-L290 HydrophobicContact CD1-CB 4.41Å; I131-L290 HydrophobicContact CD1-CD1 4.11Å; I131-L290 HydrophobicContact CD1-CD2 3.98Å; I131-L290 HydrophobicContact CD1-CG 4.39Å; I224-L290 HydrophobicContact CB-CB 4.46Å; R226-L290 HydrophobicContact CG-CD1 4.1Å; R226-L290 VanDerWaalsContact CZ-CD1 3.45Å; N287-L290 WeakPolarHBondContact O-CB 3.45Å; N287-L290 PolarHBondContact O-N 3.18Å; Q288-L290 PolarHBondContact O-N 2.95Å
291V98.6Very high98.4Very high27 Ų2758.9 Ų58.916%0.16430%0.296CS..  trans-112.9115.9-172.7-178.20000109.3I224 F225 V283 Q288 L296I224-V291 HydrophobicContact CB-CG2 4.3Å; F225-V291 HydrophobicContact CD1-CG2 4.1Å; F225-V291 HydrophobicContact CE1-CG2 4.02Å; V283-V291 HydrophobicContact CG2-CB 4.25Å; V283-V291 HydrophobicContact CG2-CG1 3.78Å; V283-V291 HydrophobicContact CG2-CG2 4.25Å; Q288-V291 PolarHBondContact O-N 3.14Å; V291-L296 HydrophobicContact CG1-CD1 3.93Å; V291-L296 HydrophobicContact CG1-CD2 3.49Å; V291-L296 VanDerWaalsContact CG1-CD2 3.49Å; V291-L296 HydrophobicContact CG1-CG 3.68Å
292S98.5Very high98.5Very high21 Ų2150.1 Ų50.115%0.14726%0.262CS..  trans-118.8162.9171.385.20000110.8R132 E294 A295 L296R132-S292 PolarHBondContact NH2-OG 2.94Å; S292-E294 VanDerWaalsContact CB-OE2 3.27Å; S292-E294 WeakPolarHBondContact CB-OE2 3.38Å; S292-E294 PolarHBondContact O-N 2.91Å; S292-E294 PolarHBondContact OG-N 3Å; S292-E294 PolarHBondContact OG-OE2 2.91Å; S292-A295 WeakPolarHBondContact O-CB 3.48Å; S292-A295 PolarHBondContact O-N 3.15Å; S292-A295 PolarHBondContact OG-N 2.81Å; S292-L296 PolarHBondContact O-N 3.19Å; S292-L296 VanDerWaalsContact O-N 3.08Å
293P98.7Very high98.5Very high100 Ų10048.4 Ų48.465%0.64926%0.255SS*.Hα-helixtrans-52.5-39.6173.5-2736.2000112.8A295 L296 D297P293-A295 PolarHBondContact O-N 3.5Å; P293-L296 PolarHBondContact O-N 2.71Å; P293-D297 VanDerWaalsContact O-CB 3.32Å; P293-D297 WeakPolarHBondContact O-CB 3.47Å; P293-D297 PolarHBondContact O-N 3.01Å
294E98.8Very high98.5Very high77 Ų7748.9 Ų48.936%0.3625%0.251SS..Hα-helixtrans-67.3-35.3177.5-55.274.3-16300112.4S292 F298 H319 A320 Y321S292-E294 VanDerWaalsContact CB-OE2 3.27Å; S292-E294 WeakPolarHBondContact CB-OE2 3.38Å; S292-E294 PolarHBondContact O-N 2.91Å; S292-E294 PolarHBondContact OG-N 3Å; S292-E294 PolarHBondContact OG-OE2 2.91Å; E294-F298 VanDerWaalsContact O-CB 3.29Å; E294-F298 WeakPolarHBondContact O-CB 3.38Å; E294-F298 PolarHBondContact O-N 2.61Å; E294-H319 PolarHBondContact O-CE1 3.32Å; E294-A320 HydrophobicContact CG-CB 4.23Å; E294-Y321 HydrophobicContact CB-CD2 4.31Å
295A98.8Very high98.5Very high0 Ų045.2 Ų45.20%023%0.234CC..Hα-helixtrans-65.3-43.9176.100000111I224 S292 P293 L299 Y321I224-A295 HydrophobicContact CD1-CB 4.38Å; S292-A295 WeakPolarHBondContact O-CB 3.48Å; S292-A295 PolarHBondContact O-N 3.15Å; S292-A295 PolarHBondContact OG-N 2.81Å; P293-A295 PolarHBondContact O-N 3.5Å; A295-L299 WeakPolarHBondContact O-CB 3.45Å; A295-L299 PolarHBondContact O-N 2.95Å; A295-Y321 VanDerWaalsContact CA-CD2 3.46Å; A295-Y321 HydrophobicContact CB-CD2 3.71Å; A295-Y321 HydrophobicContact CB-CE2 3.38Å
296L98.8Very high98.6Very high20 Ų2041.2 Ų41.211%0.10521%0.206CC..Hα-helixtrans-67.4-43.1178.1-61.4-172.5000111.7I224 F225 W279 E280 V291 S292 P293 L299 D300I224-L296 HydrophobicContact CD1-CD2 4.46Å; F225-L296 HydrophobicContact CE1-CD2 4.03Å; F225-L296 HydrophobicContact CZ-CD2 3.67Å; W279-L296 HydrophobicContact CB-CB 4.38Å; W279-L296 HydrophobicContact CB-CD1 4.06Å; W279-L296 HydrophobicContact CB-CD2 3.69Å; W279-L296 HydrophobicContact CB-CG 4.25Å; W279-L296 HydrophobicContact CG-CD2 4.37Å; E280-L296 HydrophobicContact CG-CD1 4.16Å; V291-L296 HydrophobicContact CG1-CD1 3.93Å; V291-L296 HydrophobicContact CG1-CD2 3.49Å; V291-L296 VanDerWaalsContact CG1-CD2 3.49Å; V291-L296 HydrophobicContact CG1-CG 3.68Å; S292-L296 PolarHBondContact O-N 3.19Å; S292-L296 VanDerWaalsContact O-N 3.08Å; P293-L296 PolarHBondContact O-N 2.71Å; L296-L299 PolarHBondContact O-N 3.47Å; L296-D300 WeakPolarHBondContact O-CB 3.39Å; L296-D300 PolarHBondContact O-N 3.28Å
297D98.9Very high98.7Very high68 Ų6834.7 Ų34.736%0.36418%0.175SC..Hα-helixtrans-64.3-40.9176.3178.655000112.1P293 D300 K301 H319P293-D297 VanDerWaalsContact O-CB 3.32Å; P293-D297 WeakPolarHBondContact O-CB 3.47Å; P293-D297 PolarHBondContact O-N 3.01Å; D297-D300 PolarHBondContact O-N 2.87Å; D297-K301 WeakPolarHBondContact O-CG 3.36Å; D297-K301 PolarHBondContact O-N 3.47Å; D297-K301 WeakPolarHBondContact OD1-CE 3.39Å; D297-K301 IonicContact OD1-NZ 3.72Å; D297-K301 PolarHBondContact OD1-NZ 2.9Å; D297-K301 IonicContact OD2-NZ 3.29Å; D297-K301 PolarHBondContact OD2-NZ 2.92Å; D297-H319 IonicContact OD2-CE1 2.94Å; D297-H319 PolarHBondContact OD2-CE1 2.93Å; D297-H319 IonicContact OD2-NE2 2.82Å; D297-H319 PolarHBondContact OD2-NE2 2.65Å
298F98.9Very high98.7Very high0 Ų036.4 Ų36.40%018%0.183CC..Hα-helixtrans-58.9-50172-177.1-76.6000110.6I135 L139 L216 L220 E294 D300 K301 V302 M311 A316 H319 Y321 L322I135-F298 HydrophobicContact CG2-CZ 4.27Å; L139-F298 HydrophobicContact CD1-CE2 4.41Å; L139-F298 HydrophobicContact CD1-CZ 4.12Å; L216-F298 HydrophobicContact CD2-CE1 4.01Å; L216-F298 HydrophobicContact CD2-CZ 4.26Å; L220-F298 HydrophobicContact CD2-CD1 3.25Å; L220-F298 HydrophobicContact CD2-CE1 3.59Å; L220-F298 HydrophobicContact CD2-CG 4.26Å; E294-F298 VanDerWaalsContact O-CB 3.29Å; E294-F298 WeakPolarHBondContact O-CB 3.38Å; E294-F298 PolarHBondContact O-N 2.61Å; F298-D300 VanDerWaalsContact C-N 3.33Å; F298-D300 PolarHBondContact O-N 2.99Å; F298-K301 PolarHBondContact O-N 2.8Å; F298-V302 HydrophobicContact CD1-CG2 4.07Å; F298-V302 HydrophobicContact CE1-CG2 3.72Å; F298-V302 HydrophobicContact CZ-CG2 4.26Å; F298-V302 WeakPolarHBondContact O-CG2 3.39Å; F298-V302 PolarHBondContact O-N 3.46Å; F298-M311 HydrophobicContact CD1-CE 4.39Å; F298-M311 HydrophobicContact CD2-CE 3.87Å; F298-M311 HydrophobicContact CE2-CE 4.01Å; F298-M311 HydrophobicContact CG-CE 4.08Å; F298-M311 HydrophobicContact CZ-CE 4.34Å; F298-A316 HydrophobicContact CE2-CB 3.75Å; F298-A316 WeakPolarHBondContact CE2-O 3.26Å; F298-A316 HydrophobicContact CZ-CB 3.76Å; F298-H319 HydrophobicContact CD2-CB 3.64Å; F298-H319 AromaticContact CD2-CG 3.62Å; F298-H319 AromaticContact CD2-ND1 3.64Å; F298-H319 HydrophobicContact CE2-CB 4.07Å; F298-H319 PolarHBondContact N-CE1 2.88Å; F298-Y321 HydrophobicContact CB-CD1 4.23Å; F298-Y321 HydrophobicContact CB-CG 4.26Å; F298-Y321 HydrophobicContact CD2-CD1 4.09Å; F298-Y321 HydrophobicContact CG-CD1 4.06Å; F298-L322 HydrophobicContact CE2-CD1 3.94Å; F298-L322 HydrophobicContact CE2-CG 4.37Å
299L98.8Very high98.7Very high0 Ų035.3 Ų35.30%018%0.178CC..Hα-helixtrans-63.1-41.2-177.1-174.865000111.7G217 L220 A221 I224 F225 W279 A295 L296 K301 V302 L303G217-L299 VanDerWaalsContact O-CD1 3.26Å; G217-L299 WeakPolarHBondContact O-CD1 3.49Å; L220-L299 HydrophobicContact CB-CD1 4.36Å; L220-L299 HydrophobicContact CD2-CB 4.38Å; L220-L299 HydrophobicContact CD2-CD1 4.19Å; L220-L299 HydrophobicContact CG-CD1 4.36Å; A221-L299 HydrophobicContact CB-CD1 3.98Å; A221-L299 HydrophobicContact CB-CD2 3.88Å; I224-L299 HydrophobicContact CD1-CD2 4.17Å; F225-L299 HydrophobicContact CE2-CD2 3.61Å; F225-L299 HydrophobicContact CZ-CD2 4.26Å; W279-L299 HydrophobicContact CD2-CD2 4.17Å; W279-L299 HydrophobicContact CE3-CD2 3.87Å; W279-L299 HydrophobicContact CH2-CD2 4.11Å; W279-L299 HydrophobicContact CH2-CG 4.32Å; W279-L299 HydrophobicContact CZ2-CD2 4.37Å; W279-L299 HydrophobicContact CZ2-CG 4.29Å; W279-L299 HydrophobicContact CZ3-CD2 3.84Å; A295-L299 WeakPolarHBondContact O-CB 3.45Å; A295-L299 PolarHBondContact O-N 2.95Å; L296-L299 PolarHBondContact O-N 3.47Å; L299-K301 VanDerWaalsContact C-N 3.29Å; L299-K301 PolarHBondContact O-N 3.09Å; L299-V302 PolarHBondContact O-N 3.29Å; L299-V302 VanDerWaalsContact O-N 3.12Å; L299-L303 HydrophobicContact CD1-CD1 3.58Å; L299-L303 HydrophobicContact CD1-CG 3.89Å; L299-L303 HydrophobicContact CD2-CD1 4.38Å; L299-L303 HydrophobicContact CG-CD1 3.93Å; L299-L303 HydrophobicContact CG-CG 4.39Å; L299-L303 PolarHBondContact O-N 2.97Å
300D98.8Very high98.7Very high34 Ų3430 Ų3018%0.18215%0.153CC..Hα-helixtrans-58.8-40178.1-164.386.3000112.5R276 W279 L296 D297 F298 V302 R304R276-D300 IonicContact CZ-OD1 3.06Å; R276-D300 VanDerWaalsContact NH2-CG 3.32Å; R276-D300 IonicContact NH2-OD1 3.76Å; R276-D300 PolarHBondContact NH2-OD1 3.08Å; R276-D300 IonicContact NH2-OD2 3.91Å; R276-D300 PolarHBondContact NH2-OD2 2.63Å; W279-D300 PolarHBondContact NE1-OD1 3.07Å; L296-D300 WeakPolarHBondContact O-CB 3.39Å; L296-D300 PolarHBondContact O-N 3.28Å; D297-D300 PolarHBondContact O-N 2.87Å; F298-D300 VanDerWaalsContact C-N 3.33Å; F298-D300 PolarHBondContact O-N 2.99Å; D300-V302 VanDerWaalsContact C-N 3.3Å; D300-V302 PolarHBondContact O-N 2.75Å; D300-R304 WeakPolarHBondContact O-CD 3.47Å; D300-R304 PolarHBondContact O-NE 3.1Å; D300-R304 IonicContact OD2-CZ 3.62Å; D300-R304 IonicContact OD2-NE 2.91Å; D300-R304 IonicContact OD2-NH2 2.69Å; D300-R304 PolarHBondContact OD2-NH2 3.01Å
301K98.9Very high98.8Very high68 Ų6830.8 Ų30.830%0.29616%0.157SC..Hα-helixtrans-79.1-8.4179.2-69.7172.8-172.8152.50114.1D297 F298 L299 R310 M311 H319D297-K301 WeakPolarHBondContact O-CG 3.36Å; D297-K301 PolarHBondContact O-N 3.47Å; D297-K301 WeakPolarHBondContact OD1-CE 3.39Å; D297-K301 IonicContact OD1-NZ 3.72Å; D297-K301 PolarHBondContact OD1-NZ 2.9Å; D297-K301 IonicContact OD2-NZ 3.29Å; D297-K301 PolarHBondContact OD2-NZ 2.92Å; F298-K301 PolarHBondContact O-N 2.8Å; L299-K301 VanDerWaalsContact C-N 3.29Å; L299-K301 PolarHBondContact O-N 3.09Å; K301-R310 WeakPolarHBondContact O-CA 3.38Å; K301-M311 HydrophobicContact CB-CE 3.67Å; K301-M311 HydrophobicContact CB-CG 3.91Å; K301-M311 HydrophobicContact CB-SD 3.91Å; K301-M311 HydrophobicContact CD-CE 4.47Å; K301-M311 HydrophobicContact CD-SD 3.99Å; K301-M311 PolarHBondContact O-N 2.67Å; K301-H319 PolarHBondContact NZ-NE2 3.49Å; K301-H319 VanDerWaalsContact NZ-NE2 3.14Å
302V98.7Very high98.8Very high0 Ų030.2 Ų30.20%015%0.154CC..Hα-helixtrans-104.4-40.8176.2177.40000111.6M213 F298 L299 D300 R304 R310 M311M213-V302 HydrophobicContact CB-CG1 4.41Å; M213-V302 WeakPolarHBondContact O-CG1 3.26Å; F298-V302 HydrophobicContact CD1-CG2 4.07Å; F298-V302 HydrophobicContact CE1-CG2 3.72Å; F298-V302 HydrophobicContact CZ-CG2 4.26Å; F298-V302 WeakPolarHBondContact O-CG2 3.39Å; F298-V302 PolarHBondContact O-N 3.46Å; L299-V302 PolarHBondContact O-N 3.29Å; L299-V302 VanDerWaalsContact O-N 3.12Å; D300-V302 VanDerWaalsContact C-N 3.3Å; D300-V302 PolarHBondContact O-N 2.75Å; V302-R304 VanDerWaalsContact C-N 3.31Å; V302-R304 PolarHBondContact O-N 2.57Å; V302-R304 VanDerWaalsContact O-N 3.09Å; V302-R310 WeakPolarHBondContact O-CD 3.38Å; V302-R310 WeakPolarHBondContact O-CG 3.29Å; V302-M311 HydrophobicContact CG2-CE 3.55Å
303L98.9Very high98.8Very high0 Ų029.3 Ų29.30%015%0.147CC..SBendtrans-87.168.1179-68.4-177.1000111.6W214 A221 F231 L247 W279 L299W214-L303 HydrophobicContact CD2-CD2 3.86Å; W214-L303 HydrophobicContact CE3-CD2 3.82Å; W214-L303 HydrophobicContact CG-CD2 4.49Å; W214-L303 HydrophobicContact CH2-CD2 4.14Å; W214-L303 HydrophobicContact CZ2-CD2 4.17Å; W214-L303 HydrophobicContact CZ3-CB 4.24Å; W214-L303 HydrophobicContact CZ3-CD2 3.98Å; A221-L303 HydrophobicContact CB-CD1 4.4Å; F231-L303 HydrophobicContact CE2-CD1 3.98Å; F231-L303 HydrophobicContact CE2-CD2 4.32Å; F231-L303 HydrophobicContact CZ-CD1 4.21Å; L247-L303 WeakPolarHBondContact CD1-O 3.48Å; W279-L303 HydrophobicContact CH2-CB 4.31Å; W279-L303 HydrophobicContact CH2-CD1 3.67Å; W279-L303 HydrophobicContact CZ2-CB 4.36Å; W279-L303 HydrophobicContact CZ2-CD1 4.38Å; W279-L303 HydrophobicContact CZ3-CD1 4.39Å; L299-L303 HydrophobicContact CD1-CD1 3.58Å; L299-L303 HydrophobicContact CD1-CG 3.89Å; L299-L303 HydrophobicContact CD2-CD1 4.38Å; L299-L303 HydrophobicContact CG-CD1 3.93Å; L299-L303 HydrophobicContact CG-CG 4.39Å; L299-L303 PolarHBondContact O-N 2.97Å
304R98.9Very high98.8Very high62 Ų6229.5 Ų29.523%0.23414%0.138CC..  trans-107.5143.5171.9-60.3-62.4-17898.4-7.4111.1W214 D300 V302 E309 R310W214-R304 WeakPolarHBondContact CZ3-O 3.48Å; D300-R304 WeakPolarHBondContact O-CD 3.47Å; D300-R304 PolarHBondContact O-NE 3.1Å; D300-R304 IonicContact OD2-CZ 3.62Å; D300-R304 IonicContact OD2-NE 2.91Å; D300-R304 IonicContact OD2-NH2 2.69Å; D300-R304 PolarHBondContact OD2-NH2 3.01Å; V302-R304 VanDerWaalsContact C-N 3.31Å; V302-R304 PolarHBondContact O-N 2.57Å; V302-R304 VanDerWaalsContact O-N 3.09Å; R304-E309 HydrophobicContact CB-CB 4.16Å; R304-E309 HydrophobicContact CG-CB 4.14Å; R304-E309 IonicContact NH1-OE2 3.42Å; R304-E309 PolarHBondContact NH1-OE2 3.32Å; R304-R310 HydrophobicContact CB-CG 3.99Å; R304-R310 PolarHBondContact O-NE 3.24Å; R304-R310 PolarHBondContact O-NH2 2.94Å
305Y98.9Very high98.8Very high4 Ų429.3 Ų29.32%0.01614%0.137CC..SBendtrans-58.9-56.6171.1-72.9-68.1000110.6P198 I243 A244 L247 G248 E251 L252 H307 R310P198-Y305 HydrophobicContact CB-CD1 3.85Å; P198-Y305 HydrophobicContact CG-CD1 3.68Å; P198-Y305 HydrophobicContact CG-CE1 4.25Å; I243-Y305 HydrophobicContact CG2-CD1 4.49Å; I243-Y305 HydrophobicContact CG2-CE1 3.57Å; A244-Y305 WeakPolarHBondContact CA-OH 3.46Å; A244-Y305 PolarHBondContact N-OH 2.88Å; L247-Y305 HydrophobicContact CB-CD2 4.27Å; L247-Y305 HydrophobicContact CB-CE2 3.43Å; L247-Y305 VanDerWaalsContact CB-CE2 3.43Å; L247-Y305 HydrophobicContact CD1-CD2 4.38Å; L247-Y305 HydrophobicContact CD1-CE1 4.41Å; L247-Y305 HydrophobicContact CD1-CE2 4.15Å; L247-Y305 HydrophobicContact CG-CE2 4.44Å; G248-Y305 WeakPolarHBondContact O-CE2 3.39Å; G248-Y305 PolarHBondContact O-OH 2.74Å; E251-Y305 HydrophobicContact CB-CD2 3.76Å; E251-Y305 HydrophobicContact CB-CE2 4.01Å; L252-Y305 HydrophobicContact CB-CD1 4.33Å; L252-Y305 HydrophobicContact CB-CD2 4.29Å; L252-Y305 HydrophobicContact CB-CE1 3.97Å; L252-Y305 HydrophobicContact CB-CE2 3.88Å; L252-Y305 HydrophobicContact CB-CG 4.47Å; L252-Y305 HydrophobicContact CD1-CD1 3.81Å; L252-Y305 HydrophobicContact CD1-CE1 3.8Å; L252-Y305 HydrophobicContact CD1-CG 4.48Å; L252-Y305 HydrophobicContact CG-CE1 4.32Å; Y305-H307 PolarHBondContact O-N 2.9Å; Y305-H307 VanDerWaalsContact O-N 3.1Å; Y305-R310 PolarHBondContact O-NH2 3.5Å
306D98.8Very high98.8Very high9 Ų929.3 Ų29.35%0.04814%0.137CC..SBendtrans-63.6112.2176.1-168.1-26.7000110.4Y255 K258 Y259 Q308 E309Y255-D306 HydrophobicContact CD2-CB 4Å; K258-D306 VanDerWaalsContact CD-OD2 3.29Å; K258-D306 WeakPolarHBondContact CD-OD2 3.14Å; K258-D306 VanDerWaalsContact CE-OD2 3.29Å; K258-D306 WeakPolarHBondContact CE-OD2 3.08Å; K258-D306 IonicContact NZ-OD2 3.57Å; K258-D306 PolarHBondContact NZ-OD2 3.01Å; Y259-D306 PolarHBondContact OH-OD1 3.47Å; Y259-D306 VanDerWaalsContact OH-OD1 3.04Å; D306-Q308 PolarHBondContact O-N 3.24Å; D306-Q308 WeakPolarHBondContact OD1-CA 3.49Å; D306-Q308 VanDerWaalsContact OD1-CB 3.27Å; D306-Q308 WeakPolarHBondContact OD1-CB 3.46Å; D306-Q308 PolarHBondContact OD1-N 3.34Å; D306-E309 HydrophobicContact CB-CB 4.24Å; D306-E309 HydrophobicContact CB-CG 3.86Å; D306-E309 PolarHBondContact O-N 3.28Å; D306-E309 VanDerWaalsContact O-N 3.07Å
307H98.8Very high98.8Very high1 Ų129.4 Ų29.41%0.00514%0.137CC..THydrogen-bonded Turntrans-64.1-24.8-179.560.6-82.3000112.3S5 F204 D208 S210 Y255 Y259 Y305S5-H307 WeakPolarHBondContact CB-NE2 3.45Å; S5-H307 PolarHBondContact OG-NE2 2.77Å; F204-H307 AromaticContact CD1-CE1 3.99Å; F204-H307 AromaticContact CE1-CE1 3.39Å; F204-H307 WeakPolarHBondContact CE1-CE1 3.16Å; F204-H307 AromaticContact CE1-NE2 3.81Å; D208-H307 IonicContact OD2-CD2 2.64Å; S210-H307 WeakPolarHBondContact CB-O 3.13Å; S210-H307 WeakPolarHBondContact OG-CB 3.39Å; S210-H307 PolarHBondContact OG-O 2.63Å; Y255-H307 AromaticContact CE2-ND1 3.63Å; Y259-H307 AromaticContact CE1-CE1 3.8Å; Y259-H307 AromaticContact CE2-CE1 3.97Å; Y259-H307 AromaticContact CZ-CE1 3.63Å; Y305-H307 PolarHBondContact O-N 2.9Å; Y305-H307 VanDerWaalsContact O-N 3.1Å
308Q98.6Very high98.8Very high37 Ų3732 Ų3217%0.17315%0.147CC..THydrogen-bonded Turntrans-75-22.8174-63.7-70-49.600113.1S5 R6 R8 D208 Y259 D306S5-Q308 PolarHBondContact OG-NE2 3.46Å; S5-Q308 VanDerWaalsContact OG-NE2 3.1Å; R6-Q308 PolarHBondContact O-NE2 3.24Å; R6-Q308 PolarHBondContact O-OE1 2.98Å; R8-Q308 WeakPolarHBondContact CD-O 3.03Å; R8-Q308 PolarHBondContact NE-O 2.82Å; D208-Q308 PolarHBondContact OD2-NE2 2.75Å; D208-Q308 VanDerWaalsContact OD2-NE2 3.09Å; Y259-Q308 WeakPolarHBondContact OH-CG 3.43Å; D306-Q308 PolarHBondContact O-N 3.24Å; D306-Q308 WeakPolarHBondContact OD1-CA 3.49Å; D306-Q308 VanDerWaalsContact OD1-CB 3.27Å; D306-Q308 WeakPolarHBondContact OD1-CB 3.46Å; D306-Q308 PolarHBondContact OD1-N 3.34Å
309E98.6Very high98.8Very high101 Ų10132.8 Ų32.847%0.47215%0.151SC..THydrogen-bonded Turntrans-84.6-16.1179.1-67.7-172.4-176.700113.7R304 D306R304-E309 HydrophobicContact CB-CB 4.16Å; R304-E309 HydrophobicContact CG-CB 4.14Å; R304-E309 IonicContact NH1-OE2 3.42Å; R304-E309 PolarHBondContact NH1-OE2 3.32Å; D306-E309 HydrophobicContact CB-CB 4.24Å; D306-E309 HydrophobicContact CB-CG 3.86Å; D306-E309 PolarHBondContact O-N 3.28Å; D306-E309 VanDerWaalsContact O-N 3.07Å
310R98.9Very high98.8Very high1 Ų135.5 Ų35.50%0.00417%0.173CC..SBendtrans-67.1138.6179.9-55.9-179.8-166.11478109.6R8 E199 S210 K301 V302 R304 Y305 T312R8-R310 PolarHBondContact NH2-O 3.33Å; E199-R310 IonicContact OE1-CZ 3.3Å; E199-R310 IonicContact OE1-NH1 3.12Å; E199-R310 PolarHBondContact OE1-NH1 3.06Å; E199-R310 IonicContact OE1-NH2 3.33Å; E199-R310 IonicContact OE2-CZ 3.08Å; E199-R310 IonicContact OE2-NH1 3.04Å; E199-R310 PolarHBondContact OE2-NH1 3.08Å; E199-R310 IonicContact OE2-NH2 3.94Å; E199-R310 PolarHBondContact OE2-NH2 3.38Å; S210-R310 PolarHBondContact O-NH1 3.09Å; K301-R310 WeakPolarHBondContact O-CA 3.38Å; V302-R310 WeakPolarHBondContact O-CD 3.38Å; V302-R310 WeakPolarHBondContact O-CG 3.29Å; R304-R310 HydrophobicContact CB-CG 3.99Å; R304-R310 PolarHBondContact O-NE 3.24Å; R304-R310 PolarHBondContact O-NH2 2.94Å; Y305-R310 PolarHBondContact O-NH2 3.5Å; R310-T312 PolarHBondContact O-N 2.59Å
311M98.8Very high98.8Very high17 Ų1733.9 Ų33.98%0.08416%0.164CC..PPolyproline II helixtrans-52.7140.4169-72.3-174.8-59.800110.9M213 F298 K301 V302 E315 A316M213-M311 WeakPolarHBondContact CE-O 3.4Å; M213-M311 WeakPolarHBondContact CG-O 3.39Å; F298-M311 HydrophobicContact CD1-CE 4.39Å; F298-M311 HydrophobicContact CD2-CE 3.87Å; F298-M311 HydrophobicContact CE2-CE 4.01Å; F298-M311 HydrophobicContact CG-CE 4.08Å; F298-M311 HydrophobicContact CZ-CE 4.34Å; K301-M311 HydrophobicContact CB-CE 3.67Å; K301-M311 HydrophobicContact CB-CG 3.91Å; K301-M311 HydrophobicContact CB-SD 3.91Å; K301-M311 HydrophobicContact CD-CE 4.47Å; K301-M311 HydrophobicContact CD-SD 3.99Å; K301-M311 PolarHBondContact O-N 2.67Å; V302-M311 HydrophobicContact CG2-CE 3.55Å; M311-E315 WeakPolarHBondContact CA-OE2 3.49Å; M311-E315 HydrophobicContact CB-CB 4.11Å; M311-E315 HydrophobicContact CG-CB 4.29Å; M311-A316 HydrophobicContact CB-CB 4.22Å; M311-A316 HydrophobicContact CE-CB 4.19Å
312T98.9Very high98.8Very high15 Ų1530.6 Ų30.69%0.09215%0.15CC..PPolyproline II helixtrans-68.3164.7164.363.50000110.4V9 R310 K314 E315 A316V9-T312 HydrophobicContact CB-CG2 4.29Å; V9-T312 HydrophobicContact CG1-CG2 3.75Å; V9-T312 HydrophobicContact CG2-CG2 3.53Å; R310-T312 PolarHBondContact O-N 2.59Å; T312-K314 VanDerWaalsContact C-N 3.26Å; T312-K314 PolarHBondContact O-N 3.22Å; T312-E315 WeakPolarHBondContact CG2-OE2 3.34Å; T312-E315 PolarHBondContact N-OE2 2.85Å; T312-E315 PolarHBondContact O-N 3.44Å; T312-E315 WeakPolarHBondContact OG1-CB 3.46Å; T312-E315 VanDerWaalsContact OG1-CD 3.3Å; T312-E315 VanDerWaalsContact OG1-CG 3.23Å; T312-E315 WeakPolarHBondContact OG1-CG 3.38Å; T312-E315 PolarHBondContact OG1-N 2.97Å; T312-E315 VanDerWaalsContact OG1-N 3.1Å; T312-E315 PolarHBondContact OG1-OE2 2.83Å; T312-A316 VanDerWaalsContact O-CB 3.28Å; T312-A316 WeakPolarHBondContact O-CB 3.48Å; T312-A316 PolarHBondContact O-N 2.95Å
313A98.9Very high98.8Very high1 Ų137 Ų371%0.00818%0.175CC..Hα-helixtrans-57-42.4175.700000111.7L139 L142 D143 M213 A316 M317L139-A313 HydrophobicContact CD2-CB 4.27Å; L142-A313 HydrophobicContact CB-CB 4.1Å; D143-A313 HydrophobicContact CB-CB 3.66Å; M213-A313 HydrophobicContact SD-CB 3.89Å; A313-A316 PolarHBondContact O-N 3.23Å; A313-M317 WeakPolarHBondContact O-CG 3.49Å; A313-M317 PolarHBondContact O-N 3.41Å
314K98.7Very high98.7Very high105 Ų10539.2 Ų39.246%0.45719%0.19SC..Hα-helixtrans-62-50.5174.2-169.7172.3179.8-179.20114D143 T312 A316 M317 E318D143-K314 WeakPolarHBondContact OD1-CB 3.35Å; D143-K314 PolarHBondContact OD1-N 3.04Å; T312-K314 VanDerWaalsContact C-N 3.26Å; T312-K314 PolarHBondContact O-N 3.22Å; K314-A316 VanDerWaalsContact C-N 3.27Å; K314-A316 PolarHBondContact O-N 3.36Å; K314-M317 HydrophobicContact CB-CE 4.46Å; K314-M317 WeakPolarHBondContact O-CB 3.17Å; K314-M317 PolarHBondContact O-N 3.46Å; K314-M317 VanDerWaalsContact O-N 3.12Å; K314-E318 PolarHBondContact O-N 2.91Å; K314-E318 VanDerWaalsContact O-N 3.16Å
315E98.9Very high98.7Very high73 Ų7336.3 Ų36.334%0.34118%0.179SC..Hα-helixtrans-59.2-41177.4-72.4161.6171.100111R8 M311 T312 E318 H319R8-E315 IonicContact CZ-OE1 3.21Å; R8-E315 IonicContact CZ-OE2 3.64Å; R8-E315 IonicContact NH1-OE1 2.68Å; R8-E315 PolarHBondContact NH1-OE1 3.32Å; R8-E315 IonicContact NH1-OE2 2.6Å; R8-E315 PolarHBondContact NH1-OE2 3.2Å; R8-E315 IonicContact NH2-OE1 3.99Å; R8-E315 IonicContact NH2-OE2 2.66Å; R8-E315 PolarHBondContact NH2-OE2 2.88Å; M311-E315 WeakPolarHBondContact CA-OE2 3.49Å; M311-E315 HydrophobicContact CB-CB 4.11Å; M311-E315 HydrophobicContact CG-CB 4.29Å; T312-E315 WeakPolarHBondContact CG2-OE2 3.34Å; T312-E315 PolarHBondContact N-OE2 2.85Å; T312-E315 PolarHBondContact O-N 3.44Å; T312-E315 WeakPolarHBondContact OG1-CB 3.46Å; T312-E315 VanDerWaalsContact OG1-CD 3.3Å; T312-E315 VanDerWaalsContact OG1-CG 3.23Å; T312-E315 WeakPolarHBondContact OG1-CG 3.38Å; T312-E315 PolarHBondContact OG1-N 2.97Å; T312-E315 VanDerWaalsContact OG1-N 3.1Å; T312-E315 PolarHBondContact OG1-OE2 2.83Å; E315-E318 PolarHBondContact O-N 2.86Å; E315-E318 VanDerWaalsContact O-N 3.17Å; E315-H319 PolarHBondContact O-N 3.26Å
316A98.9Very high98.6Very high0 Ų039.3 Ų39.30%019%0.19CC..Hα-helixtrans-63.3-42.1175.300000111.9L139 M213 F298 M311 T312 A313 K314 E318 H319 L322L139-A316 HydrophobicContact CD1-CB 3.94Å; L139-A316 HydrophobicContact CD2-CB 3.73Å; M213-A316 HydrophobicContact CE-CB 3.81Å; F298-A316 HydrophobicContact CE2-CB 3.75Å; F298-A316 WeakPolarHBondContact CE2-O 3.26Å; F298-A316 HydrophobicContact CZ-CB 3.76Å; M311-A316 HydrophobicContact CB-CB 4.22Å; M311-A316 HydrophobicContact CE-CB 4.19Å; T312-A316 VanDerWaalsContact O-CB 3.28Å; T312-A316 WeakPolarHBondContact O-CB 3.48Å; T312-A316 PolarHBondContact O-N 2.95Å; A313-A316 PolarHBondContact O-N 3.23Å; K314-A316 VanDerWaalsContact C-N 3.27Å; K314-A316 PolarHBondContact O-N 3.36Å; A316-E318 PolarHBondContact O-N 2.77Å; A316-H319 WeakPolarHBondContact O-CB 3.44Å; A316-H319 PolarHBondContact O-N 3.46Å; A316-H319 VanDerWaalsContact O-N 3.12Å; A316-L322 WeakPolarHBondContact O-CD1 3.38Å
317M98.8Very high98.6Very high22 Ų2242.7 Ų42.711%0.10821%0.206CC..Hα-helixtrans-59.8-27.9174.3-77.8-169.2-65.200113.1Y136 L139 K140 D143 A313 K314 R326Y136-M317 HydrophobicContact CD2-CB 4.32Å; Y136-M317 HydrophobicContact CD2-CG 4.04Å; Y136-M317 HydrophobicContact CE2-CB 3.75Å; Y136-M317 HydrophobicContact CE2-CG 3.78Å; Y136-M317 HydrophobicContact CE2-SD 4.25Å; L139-M317 HydrophobicContact CB-CG 3.5Å; L139-M317 VanDerWaalsContact CB-CG 3.5Å; L139-M317 HydrophobicContact CB-SD 4.14Å; L139-M317 HydrophobicContact CD1-CG 4.05Å; L139-M317 HydrophobicContact CG-CG 4.34Å; K140-M317 HydrophobicContact CG-SD 3.9Å; D143-M317 HydrophobicContact CB-CE 3.48Å; D143-M317 VanDerWaalsContact CB-CE 3.48Å; D143-M317 WeakPolarHBondContact OD2-CE 3.1Å; A313-M317 WeakPolarHBondContact O-CG 3.49Å; A313-M317 PolarHBondContact O-N 3.41Å; K314-M317 HydrophobicContact CB-CE 4.46Å; K314-M317 WeakPolarHBondContact O-CB 3.17Å; K314-M317 PolarHBondContact O-N 3.46Å; K314-M317 VanDerWaalsContact O-N 3.12Å; M317-R326 WeakPolarHBondContact O-CD 3.27Å; M317-R326 PolarHBondContact O-NH1 3.06Å
318E98.6Very high98.4Very high122 Ų12248.7 Ų48.757%0.5723%0.232SC*.Hα-helixtrans-86.2-13.7179.2-68.1173.2-17500113.2K314 E315 A316 R326K314-E318 PolarHBondContact O-N 2.91Å; K314-E318 VanDerWaalsContact O-N 3.16Å; E315-E318 PolarHBondContact O-N 2.86Å; E315-E318 VanDerWaalsContact O-N 3.17Å; A316-E318 PolarHBondContact O-N 2.77Å; E318-R326 VanDerWaalsContact C-NH1 3.33Å; E318-R326 PolarHBondContact O-NH1 2.8Å; E318-R326 PolarHBondContact O-NH2 3.04Å
319H98.8Very high98.1Very high16 Ų1648.8 Ų48.87%0.07423%0.232CC..SBendtrans-57.8148.6-177.2-162.3-93.8000113.9E294 D297 F298 K301 E315 A316 Y321 L322 R326E294-H319 PolarHBondContact O-CE1 3.32Å; D297-H319 IonicContact OD2-CE1 2.94Å; D297-H319 PolarHBondContact OD2-CE1 2.93Å; D297-H319 IonicContact OD2-NE2 2.82Å; D297-H319 PolarHBondContact OD2-NE2 2.65Å; F298-H319 HydrophobicContact CD2-CB 3.64Å; F298-H319 AromaticContact CD2-CG 3.62Å; F298-H319 AromaticContact CD2-ND1 3.64Å; F298-H319 HydrophobicContact CE2-CB 4.07Å; F298-H319 PolarHBondContact N-CE1 2.88Å; K301-H319 PolarHBondContact NZ-NE2 3.49Å; K301-H319 VanDerWaalsContact NZ-NE2 3.14Å; E315-H319 PolarHBondContact O-N 3.26Å; A316-H319 WeakPolarHBondContact O-CB 3.44Å; A316-H319 PolarHBondContact O-N 3.46Å; A316-H319 VanDerWaalsContact O-N 3.12Å; H319-Y321 PolarHBondContact ND1-N 2.86Å; H319-Y321 PolarHBondContact O-N 3.16Å; H319-L322 PolarHBondContact O-N 3.29Å; H319-R326 PolarHBondContact O-NH1 2.82Å; H319-R326 PolarHBondContact O-NH2 2.73Å
320A98.7Very high97.7Very high57 Ų5745.5 Ų45.547%0.47123%0.226SC..G310 helixtrans-57.5-34.1-178.400000113.4E294 L322 Y323E294-A320 HydrophobicContact CG-CB 4.23Å; A320-L322 PolarHBondContact O-N 2.74Å; A320-L322 VanDerWaalsContact O-N 3.12Å; A320-Y323 VanDerWaalsContact O-CB 3.25Å; A320-Y323 WeakPolarHBondContact O-CB 3.48Å; A320-Y323 PolarHBondContact O-N 2.84Å
321Y98.8Very high97.3Very high0 Ų050.3 Ų50.30%025%0.247CC..G310 helixtrans-52.2-35.1175.8-178.4-122.9000113.2R132 L220 E294 A295 F298 H319R132-Y321 WeakPolarHBondContact CD-O 3.39Å; R132-Y321 HydrophobicContact CG-CD1 4.3Å; R132-Y321 HydrophobicContact CG-CD2 4.13Å; R132-Y321 HydrophobicContact CG-CE1 3.76Å; R132-Y321 HydrophobicContact CG-CE2 3.54Å; R132-Y321 HydrophobicContact CG-CG 4.47Å; R132-Y321 PolarHBondContact NH1-O 2.74Å; L220-Y321 HydrophobicContact CD1-CE1 3.98Å; L220-Y321 HydrophobicContact CD2-CE1 4.45Å; E294-Y321 HydrophobicContact CB-CD2 4.31Å; A295-Y321 VanDerWaalsContact CA-CD2 3.46Å; A295-Y321 HydrophobicContact CB-CD2 3.71Å; A295-Y321 HydrophobicContact CB-CE2 3.38Å; F298-Y321 HydrophobicContact CB-CD1 4.23Å; F298-Y321 HydrophobicContact CB-CG 4.26Å; F298-Y321 HydrophobicContact CD2-CD1 4.09Å; F298-Y321 HydrophobicContact CG-CD1 4.06Å; H319-Y321 PolarHBondContact ND1-N 2.86Å; H319-Y321 PolarHBondContact O-N 3.16Å
322L98.7Very high96.8Very high0 Ų055.2 Ų55.20%026%0.264CS..G310 helixtrans-97.32.2-176.5-55.6179.8000113.2R132 I135 Y136 L139 F298 A316 H319 A320 V325 R326R132-L322 HydrophobicContact CB-CD2 4.06Å; R132-L322 HydrophobicContact CG-CD2 4.47Å; R132-L322 WeakPolarHBondContact O-CD2 3.43Å; I135-L322 HydrophobicContact CG2-CD1 4.45Å; I135-L322 HydrophobicContact CG2-CD2 4.3Å; Y136-L322 HydrophobicContact CD2-CB 4.06Å; Y136-L322 HydrophobicContact CD2-CD1 3.75Å; Y136-L322 HydrophobicContact CD2-CG 4.42Å; L139-L322 HydrophobicContact CD1-CD1 3.4Å; L139-L322 VanDerWaalsContact CD1-CD1 3.4Å; F298-L322 HydrophobicContact CE2-CD1 3.94Å; F298-L322 HydrophobicContact CE2-CG 4.37Å; A316-L322 WeakPolarHBondContact O-CD1 3.38Å; H319-L322 PolarHBondContact O-N 3.29Å; A320-L322 PolarHBondContact O-N 2.74Å; A320-L322 VanDerWaalsContact O-N 3.12Å; L322-V325 PolarHBondContact O-N 2.69Å; L322-V325 VanDerWaalsContact O-N 3.13Å; L322-R326 PolarHBondContact O-N 3.08Å
323Y98.5Very high96Very high134 Ų13459.3 Ų59.353%0.52529%0.285SS..Hα-helixtrans-54-45.6177.2177.2-96.2000113.4A320 V325 R326 E327A320-Y323 VanDerWaalsContact O-CB 3.25Å; A320-Y323 WeakPolarHBondContact O-CB 3.48Å; A320-Y323 PolarHBondContact O-N 2.84Å; Y323-V325 PolarHBondContact O-N 2.91Å; Y323-R326 PolarHBondContact O-N 2.91Å; Y323-E327 HydrophobicContact CE1-CB 4.33Å; Y323-E327 HydrophobicContact CE1-CG 4.43Å; Y323-E327 WeakPolarHBondContact O-CB 3.41Å; Y323-E327 PolarHBondContact O-N 2.81Å
324P98.3Very high95.3Very high47 Ų4763.3 Ų63.331%0.30531%0.309SS..Hα-helixtrans-58.7-34.5178.8-25.335.7000113.5Y129 K328Y129-P324 HydrophobicContact CD2-CB 4.47Å; Y129-P324 HydrophobicContact CE2-CB 4.35Å; P324-K328 WeakPolarHBondContact O-CB 3.41Å; P324-K328 PolarHBondContact O-N 3.33Å
325V98.2Very high94.7Very high1 Ų167.1 Ų67.11%0.00632%0.32CS..Hα-helixtrans-71.7-49.3178178.70000110.4Y129 R132 Y133 Y136 L322 Y323 E327 K328 E329Y129-V325 HydrophobicContact CE2-CG2 4.19Å; R132-V325 HydrophobicContact CB-CG2 3.66Å; Y133-V325 HydrophobicContact CD2-CG1 3.88Å; Y136-V325 HydrophobicContact CD1-CG1 3.57Å; Y136-V325 HydrophobicContact CE1-CG1 4.28Å; Y136-V325 HydrophobicContact CG-CG1 3.91Å; L322-V325 PolarHBondContact O-N 2.69Å; L322-V325 VanDerWaalsContact O-N 3.13Å; Y323-V325 PolarHBondContact O-N 2.91Å; V325-E327 VanDerWaalsContact C-N 3.29Å; V325-E327 PolarHBondContact O-N 3.1Å; V325-K328 PolarHBondContact O-N 3.07Å; V325-E329 PolarHBondContact O-N 3.29Å
326R97.4Very high93.8Very high67 Ų6768 Ų6825%0.25333%0.328SS..Hα-helixtrans-58.5-41.9177.1-66.6-164.3-58.5-864.6111.9Y136 M317 E318 H319 L322 Y323 E329 G330Y136-R326 HydrophobicContact CE1-CG 4.45Å; Y136-R326 HydrophobicContact CE2-CG 3.78Å; M317-R326 WeakPolarHBondContact O-CD 3.27Å; M317-R326 PolarHBondContact O-NH1 3.06Å; E318-R326 VanDerWaalsContact C-NH1 3.33Å; E318-R326 PolarHBondContact O-NH1 2.8Å; E318-R326 PolarHBondContact O-NH2 3.04Å; H319-R326 PolarHBondContact O-NH1 2.82Å; H319-R326 PolarHBondContact O-NH2 2.73Å; L322-R326 PolarHBondContact O-N 3.08Å; Y323-R326 PolarHBondContact O-N 2.91Å; R326-E329 PolarHBondContact O-N 3.1Å; R326-G330 PolarHBondContact O-N 2.91Å
327E97.1Very high93Very high79 Ų7972.1 Ų72.137%0.36935%0.353SS..Hα-helixtrans-63.4-45.1179-160.9-150.4-162.400111.3Y323 V325 G330 K331Y323-E327 HydrophobicContact CE1-CB 4.33Å; Y323-E327 HydrophobicContact CE1-CG 4.43Å; Y323-E327 WeakPolarHBondContact O-CB 3.41Å; Y323-E327 PolarHBondContact O-N 2.81Å; V325-E327 VanDerWaalsContact C-N 3.29Å; V325-E327 PolarHBondContact O-N 3.1Å; E327-G330 PolarHBondContact O-N 3.09Å; E327-K331 VanDerWaalsContact O-CG 3.32Å; E327-K331 WeakPolarHBondContact O-CG 3.03Å; E327-K331 PolarHBondContact O-N 3.3Å; E327-K331 WeakPolarHBondContact OE1-CE 3.38Å; E327-K331 IonicContact OE1-NZ 3.16Å; E327-K331 PolarHBondContact OE1-NZ 2.66Å; E327-K331 IonicContact OE2-NZ 3.65Å; E327-K331 PolarHBondContact OE2-NZ 2.6Å
328K95.1Very high92.3Very high127 Ų12775.3 Ų75.355%0.55237%0.37SS*.Hα-helixtrans-66-40.6177.4-162.3-176.4-170.3177.60112Y129 P324 V325 K331 R332Y129-K328 HydrophobicContact CE1-CD 4.33Å; Y129-K328 HydrophobicContact CE2-CD 4.26Å; Y129-K328 WeakPolarHBondContact OH-CD 3.34Å; P324-K328 WeakPolarHBondContact O-CB 3.41Å; P324-K328 PolarHBondContact O-N 3.33Å; V325-K328 PolarHBondContact O-N 3.07Å; K328-K331 PolarHBondContact O-N 3.34Å; K328-R332 PolarHBondContact O-N 3.18Å
329E91.9Very high91.4Very high40 Ų4071.4 Ų71.419%0.18736%0.359CS..Hα-helixtrans-66.1-43.8176.3-175.9164-147.800112.1Y136 K140 V325 R326 K331 R332 L333Y136-E329 WeakPolarHBondContact CE1-OE2 3.46Å; K140-E329 IonicContact NZ-OE1 2.8Å; K140-E329 PolarHBondContact NZ-OE1 3.15Å; K140-E329 IonicContact NZ-OE2 3.57Å; K140-E329 PolarHBondContact NZ-OE2 2.86Å; V325-E329 PolarHBondContact O-N 3.29Å; R326-E329 PolarHBondContact O-N 3.1Å; E329-K331 VanDerWaalsContact C-N 3.35Å; E329-K331 PolarHBondContact O-N 3.22Å; E329-R332 WeakPolarHBondContact O-CB 3.35Å; E329-R332 PolarHBondContact O-N 2.68Å; E329-R332 VanDerWaalsContact O-N 3.09Å; E329-R332 IonicContact OE1-NH2 3.69Å; E329-R332 PolarHBondContact OE1-NH2 3.04Å; E329-L333 HydrophobicContact CG-CD1 4.33Å; E329-L333 WeakPolarHBondContact O-CG 3.42Å; E329-L333 PolarHBondContact O-N 2.81Å
330G90.9Very high90.5Very high32 Ų3274.2 Ų74.233%0.3338%0.377SS..Hα-helixtrans-58.4-44.9174.500000112.3R326 E327 R332 L333 V334R326-G330 PolarHBondContact O-N 2.91Å; E327-G330 PolarHBondContact O-N 3.09Å; G330-R332 VanDerWaalsContact C-N 3.31Å; G330-R332 PolarHBondContact O-N 2.68Å; G330-L333 PolarHBondContact O-N 3.37Å; G330-V334 WeakPolarHBondContact O-CG2 3.42Å; G330-V334 PolarHBondContact O-N 3.13Å
331K91.1Very high89.5Confident102 Ų10273.6 Ų73.644%0.44337%0.372SS..Hα-helixtrans-60.8-37.8174-73.3169.7-176.9167.50112.3E327 K328 E329 R335E327-K331 VanDerWaalsContact O-CG 3.32Å; E327-K331 WeakPolarHBondContact O-CG 3.03Å; E327-K331 PolarHBondContact O-N 3.3Å; E327-K331 WeakPolarHBondContact OE1-CE 3.38Å; E327-K331 IonicContact OE1-NZ 3.16Å; E327-K331 PolarHBondContact OE1-NZ 2.66Å; E327-K331 IonicContact OE2-NZ 3.65Å; E327-K331 PolarHBondContact OE2-NZ 2.6Å; K328-K331 PolarHBondContact O-N 3.34Å; E329-K331 VanDerWaalsContact C-N 3.35Å; E329-K331 PolarHBondContact O-N 3.22Å; K331-R335 WeakPolarHBondContact O-CG 3.25Å; K331-R335 PolarHBondContact O-N 3.25Å; K331-R335 VanDerWaalsContact O-N 3.16Å
332R86.8Confident88.4Confident120 Ų12079.1 Ų79.145%0.45340%0.397SS..Hα-helixtrans-65.9-43.8176.1-176179.767.4-172.4-0.8111.6K328 E329 G330 R335 N336K328-R332 PolarHBondContact O-N 3.18Å; E329-R332 WeakPolarHBondContact O-CB 3.35Å; E329-R332 PolarHBondContact O-N 2.68Å; E329-R332 VanDerWaalsContact O-N 3.09Å; E329-R332 IonicContact OE1-NH2 3.69Å; E329-R332 PolarHBondContact OE1-NH2 3.04Å; G330-R332 VanDerWaalsContact C-N 3.31Å; G330-R332 PolarHBondContact O-N 2.68Å; R332-R335 PolarHBondContact O-N 2.87Å; R332-N336 PolarHBondContact O-N 3.36Å
333L83.1Confident87.4Confident101 Ų10188.2 Ų88.253%0.52943%0.432SS..Hα-helixtrans-61.9-46.5178.5-71.8168.4000111.6E329 G330 R335 N336 T337E329-L333 HydrophobicContact CG-CD1 4.33Å; E329-L333 WeakPolarHBondContact O-CG 3.42Å; E329-L333 PolarHBondContact O-N 2.81Å; G330-L333 PolarHBondContact O-N 3.37Å; L333-R335 VanDerWaalsContact C-N 3.33Å; L333-R335 PolarHBondContact O-N 2.96Å; L333-N336 PolarHBondContact O-N 3.18Å; L333-T337 PolarHBondContact O-N 3.25Å; L333-T337 PolarHBondContact O-OG1 3.08Å
334V85.1Confident86.4Confident84 Ų8487.7 Ų87.751%0.50943%0.434SS..Hα-helixtrans-61.1-40.3177.3174.50000111.9G330 T337 N338G330-V334 WeakPolarHBondContact O-CG2 3.42Å; G330-V334 PolarHBondContact O-N 3.13Å; V334-T337 WeakPolarHBondContact CA-OG1 3.37Å; V334-T337 PolarHBondContact O-OG1 2.91Å; V334-N338 WeakPolarHBondContact O-CB 3.43Å; V334-N338 PolarHBondContact O-N 2.81Å; V334-N338 PolarHBondContact O-OD1 3.06Å
335R84.4Confident85.2Confident186 Ų18690.1 Ų90.170%0.70244%0.444SS*.Hα-helixtrans-63.5-42.4175.4-75.1176.1-177.3178.30.7111.9K331 R332 L333 N338 A339K331-R335 WeakPolarHBondContact O-CG 3.25Å; K331-R335 PolarHBondContact O-N 3.25Å; K331-R335 VanDerWaalsContact O-N 3.16Å; R332-R335 PolarHBondContact O-N 2.87Å; L333-R335 VanDerWaalsContact C-N 3.33Å; L333-R335 PolarHBondContact O-N 2.96Å; R335-N338 PolarHBondContact O-N 3.37Å; R335-A339 WeakPolarHBondContact O-CB 3.41Å; R335-A339 PolarHBondContact O-N 2.98Å
336N80.9Confident83.9Confident92 Ų9297.3 Ų97.349%0.49248%0.475SS..Hα-helixtrans-67-42.6178.9-72-5.7000111.7R332 L333 N338 A339 T340R332-N336 PolarHBondContact O-N 3.36Å; L333-N336 PolarHBondContact O-N 3.18Å; N336-N338 PolarHBondContact O-N 3.42Å; N336-A339 PolarHBondContact O-N 3.34Å; N336-T340 PolarHBondContact O-N 3.38Å; N336-T340 PolarHBondContact O-OG1 3.08Å
337T82.6Confident82.7Confident86 Ų8699 Ų9953%0.52849%0.493SS..Hα-helixtrans-62.8-42.2176.5490000111.9L333 V334 T340 A341L333-T337 PolarHBondContact O-N 3.25Å; L333-T337 PolarHBondContact O-OG1 3.08Å; V334-T337 WeakPolarHBondContact CA-OG1 3.37Å; V334-T337 PolarHBondContact O-OG1 2.91Å; T337-T340 PolarHBondContact O-N 2.97Å; T337-A341 WeakPolarHBondContact O-CB 3.46Å; T337-A341 PolarHBondContact O-N 3.37Å
338N82.9Confident81.1Confident89 Ų89101.3 Ų101.348%0.47650%0.504SS..Hα-helixtrans-65.4-41.2177-68.7-4.2000111.6V334 R335 N336 T340 A341 E342V334-N338 WeakPolarHBondContact O-CB 3.43Å; V334-N338 PolarHBondContact O-N 2.81Å; V334-N338 PolarHBondContact O-OD1 3.06Å; R335-N338 PolarHBondContact O-N 3.37Å; N336-N338 PolarHBondContact O-N 3.42Å; N338-T340 VanDerWaalsContact C-N 3.33Å; N338-T340 PolarHBondContact O-N 3.3Å; N338-A341 PolarHBondContact O-N 3.2Å; N338-E342 WeakPolarHBondContact O-CB 3.4Å; N338-E342 WeakPolarHBondContact O-CG 3.48Å; N338-E342 PolarHBondContact O-N 2.62Å
339A79.7Confident79.6Confident40 Ų40100.1 Ų100.133%0.33150%0.503SS..Hα-helixtrans-64.3-36.717700000112.6R335 N336 R343R335-A339 WeakPolarHBondContact O-CB 3.41Å; R335-A339 PolarHBondContact O-N 2.98Å; N336-A339 PolarHBondContact O-N 3.34Å; A339-R343 VanDerWaalsContact O-CG 3.31Å; A339-R343 WeakPolarHBondContact O-CG 3.29Å; A339-R343 PolarHBondContact O-N 2.96Å; A339-R343 VanDerWaalsContact O-N 3.16Å
340T79.7Confident77.8Confident75 Ų7599.8 Ų99.846%0.4651%0.511SS..Hα-helixtrans-67.3-46.9174-53.50000111.1N336 T337 N338 E342 R343 E344N336-T340 PolarHBondContact O-N 3.38Å; N336-T340 PolarHBondContact O-OG1 3.08Å; T337-T340 PolarHBondContact O-N 2.97Å; N338-T340 VanDerWaalsContact C-N 3.33Å; N338-T340 PolarHBondContact O-N 3.3Å; T340-E342 VanDerWaalsContact C-N 3.35Å; T340-E342 PolarHBondContact O-N 3.18Å; T340-R343 WeakPolarHBondContact O-CB 3.29Å; T340-R343 PolarHBondContact O-N 2.97Å; T340-R343 VanDerWaalsContact O-N 3.11Å; T340-E344 PolarHBondContact O-N 3.22Å
341A78.4Confident76.1Confident43 Ų43102.9 Ų102.936%0.35552%0.523SS..Hα-helixtrans-61.4-40.2177.600000112.6T337 N338 R343 E344 L345T337-A341 WeakPolarHBondContact O-CB 3.46Å; T337-A341 PolarHBondContact O-N 3.37Å; N338-A341 PolarHBondContact O-N 3.2Å; A341-R343 VanDerWaalsContact C-N 3.32Å; A341-R343 PolarHBondContact O-N 3.48Å; A341-E344 PolarHBondContact O-N 3.4Å; A341-L345 WeakPolarHBondContact O-CB 3.31Å; A341-L345 WeakPolarHBondContact O-CG 3.45Å; A341-L345 PolarHBondContact O-N 2.63Å
342E76.1Confident74.1Confident116 Ų116102 Ų10254%0.54253%0.53SS..Hα-helixtrans-64.9-34.6174.5-76.9-179.7-167.900112.8N338 T340 K346N338-E342 WeakPolarHBondContact O-CB 3.4Å; N338-E342 WeakPolarHBondContact O-CG 3.48Å; N338-E342 PolarHBondContact O-N 2.62Å; T340-E342 VanDerWaalsContact C-N 3.35Å; T340-E342 PolarHBondContact O-N 3.18Å; E342-K346 WeakPolarHBondContact O-CB 3.46Å; E342-K346 WeakPolarHBondContact O-CG 3.4Å; E342-K346 PolarHBondContact O-N 3.14Å; E342-K346 VanDerWaalsContact O-N 3.11Å
343R77.6Confident72.3Confident192 Ų192102.4 Ų102.473%0.72554%0.54SS*.Hα-helixtrans-68.3-43.2174.5-75.8173.9-178.8-170.30.7111A339 T340 A341 K346 V347A339-R343 VanDerWaalsContact O-CG 3.31Å; A339-R343 WeakPolarHBondContact O-CG 3.29Å; A339-R343 PolarHBondContact O-N 2.96Å; A339-R343 VanDerWaalsContact O-N 3.16Å; T340-R343 WeakPolarHBondContact O-CB 3.29Å; T340-R343 PolarHBondContact O-N 2.97Å; T340-R343 VanDerWaalsContact O-N 3.11Å; A341-R343 VanDerWaalsContact C-N 3.32Å; A341-R343 PolarHBondContact O-N 3.48Å; R343-K346 PolarHBondContact O-N 3.31Å; R343-V347 WeakPolarHBondContact O-CG2 3.25Å; R343-V347 PolarHBondContact O-N 3.46Å
344E77.9Confident70.5Confident122 Ų122104.3 Ų104.357%0.5755%0.551SS**Hα-helixtrans-62.9-45.9177-71173.5174.600111.7T340 A341 K346 V347 E348T340-E344 PolarHBondContact O-N 3.22Å; A341-E344 PolarHBondContact O-N 3.4Å; E344-K346 VanDerWaalsContact C-N 3.3Å; E344-K346 PolarHBondContact O-N 2.94Å; E344-V347 PolarHBondContact O-N 3.47Å; E344-V347 VanDerWaalsContact O-N 3.09Å; E344-E348 PolarHBondContact O-N 3.1Å
345L73.2Confident68.6Low98 Ų98104.3 Ų104.351%0.51356%0.559SS.*Hα-helixtrans-61.9-33.8175-77.1163.2000113.2A341 N349A341-L345 WeakPolarHBondContact O-CB 3.31Å; A341-L345 WeakPolarHBondContact O-CG 3.45Å; A341-L345 PolarHBondContact O-N 2.63Å; L345-N349 WeakPolarHBondContact O-CB 3.28Å; L345-N349 PolarHBondContact O-N 3.15Å; L345-N349 PolarHBondContact O-ND2 3.37Å
346K70.6Confident66.6Low153 Ų15399.7 Ų99.767%0.66556%0.561SS**Hα-helixtrans-71.6-33.7174.1-79.5177-179173.60112.2E342 R343 E344 G350E342-K346 WeakPolarHBondContact O-CB 3.46Å; E342-K346 WeakPolarHBondContact O-CG 3.4Å; E342-K346 PolarHBondContact O-N 3.14Å; E342-K346 VanDerWaalsContact O-N 3.11Å; R343-K346 PolarHBondContact O-N 3.31Å; E344-K346 VanDerWaalsContact C-N 3.3Å; E344-K346 PolarHBondContact O-N 2.94Å; K346-G350 PolarHBondContact O-N 2.89Å
347V72Confident64.7Low103 Ų103106.2 Ų106.262%0.62458%0.579SS**Hα-helixtrans-68.3-45.1174.6173.20000110.4R343 E344 G350 T351R343-V347 WeakPolarHBondContact O-CG2 3.25Å; R343-V347 PolarHBondContact O-N 3.46Å; E344-V347 PolarHBondContact O-N 3.47Å; E344-V347 VanDerWaalsContact O-N 3.09Å; V347-G350 PolarHBondContact O-N 3.04Å; V347-T351 PolarHBondContact O-N 2.89Å; V347-T351 PolarHBondContact O-OG1 3.28Å
348E63.8Low62.6Low127 Ų127108.7 Ų108.759%0.59359%0.593SS**Hα-helixtrans-65.4-41176.9-74.8-172.5158.200113.5E344 G350 T351 S352E344-E348 PolarHBondContact O-N 3.1Å; E348-G350 VanDerWaalsContact C-N 3.32Å; E348-T351 PolarHBondContact O-OG1 2.87Å; E348-T351 VanDerWaalsContact O-OG1 3.09Å; E348-S352 PolarHBondContact O-N 3.03Å; E348-S352 PolarHBondContact O-OG 3.48Å
349N62.5Low60.3Low102 Ų102111.4 Ų111.455%0.54561%0.613SS.*Hα-helixtrans-70-32.5174.9-75.8-45.5000111.6L345 S352 I353L345-N349 WeakPolarHBondContact O-CB 3.28Å; L345-N349 PolarHBondContact O-N 3.15Å; L345-N349 PolarHBondContact O-ND2 3.37Å; N349-S352 PolarHBondContact O-N 3.18Å; N349-I353 WeakPolarHBondContact O-CG1 3.24Å; N349-I353 PolarHBondContact O-N 2.86Å
350G55.1Low58Low33 Ų33112.8 Ų112.834%0.3463%0.632SS.*Hα-helixtrans-68.2-34.5176.100000114.2K346 V347 E348K346-G350 PolarHBondContact O-N 2.89Å; V347-G350 PolarHBondContact O-N 3.04Å; E348-G350 VanDerWaalsContact C-N 3.32Å
351T54.1Low56.1Low96 Ų96117.3 Ų117.359%0.58965%0.652SS**Hα-helixtrans-72.7-27.9172.327.30000112.7V347 E348V347-T351 PolarHBondContact O-N 2.89Å; V347-T351 PolarHBondContact O-OG1 3.28Å; E348-T351 PolarHBondContact O-OG1 2.87Å; E348-T351 VanDerWaalsContact O-OG1 3.09Å
352S49.2Very low54.3Low84 Ų84120.9 Ų120.959%0.58767%0.669SS**Hα-helixtrans-74.1-23.9177.3-66.10000114E348 N349E348-S352 PolarHBondContact O-N 3.03Å; E348-S352 PolarHBondContact O-OG 3.48Å; N349-S352 PolarHBondContact O-N 3.18Å
353I50.4Low52.5Low129 Ų129121.5 Ų121.566%0.66268%0.683SS**Hα-helixtrans-80.6-17.2178.6-16.1-177.2000112.8N349N349-I353 WeakPolarHBondContact O-CG1 3.24Å; N349-I353 PolarHBondContact O-N 2.86Å
354N44.9Very low50.5Low141 Ų141118.5 Ų118.575%0.75469%0.686SS**THydrogen-bonded Turntrans-93.7-1176.9-80.2-22.3000114.2
355A45.2Very low48.1Very low84 Ų84123.7 Ų123.769%0.69470%0.701SS**SBendtrans-96.91.4177.100000114.2
356A42.5Very low46.1Very low88 Ų88126.3 Ų126.373%0.72772%0.715SS**SBendtrans-115.617.1-175.600000115
357R39.5Very low44Very low230 Ų230127.1 Ų127.187%0.86872%0.721SS**  trans-134.568174.6-84.6-174172.7-176.3-1.2112.1
358T38.5Very low42.3Very low137 Ų137129.8 Ų129.884%0.8473%0.73SS**  trans-155.671.7160.4190000109.3
359T34.4Very low40.8Very low146 Ų146128.5 Ų128.590%0.89674%0.735SS**  trans-102.8122.415944.60000108.4
360G33.1Very low39.3Very low70 Ų70129.7 Ų129.772%0.72275%0.746SS**  trans98.894.3169.600000114.1
361I39.3Very low38.5Very low170 Ų170134.2 Ų134.287%0.87277%0.769SS**  -175.2124121.6-84147.6000106.8
362T41Very low37.6Very low117 Ų117135.1 Ų135.172%0.71878%0.775SS**  trans-65.2142.9176.5320000111.8T364T362-T364 PolarHBondContact O-N 2.9Å
363P37.7Very low36.9Very low130 Ų130138.4 Ų138.484%0.84478%0.784SS**  trans-78.6113.3174.530.3-30.1000109.9
364T35.4Very low36.3Very low129 Ų129137.2 Ų137.279%0.79178%0.784SS**  trans-79.6123.6167.7-29.90000108.9T362T362-T364 PolarHBondContact O-N 2.9Å
365R27.8Very low35.7Very low230 Ų230138 Ų13887%0.86879%0.788SS**  trans-74.2122.5175.7-164.7179.4-172.41790.9108.5
366L31.7Very low35.3Very low154 Ų154139.1 Ų139.181%0.80680%0.797SS**  trans-132.5110.9168-99.6160.1000109.1
367E26.1Very low35Very low169 Ų169138.8 Ų138.879%0.7980%0.802SS**  trans-63.1133.4164.3-62.6175.4156.300109.4
368I35.4Very low35.3Very low160 Ų160134.4 Ų134.482%0.82180%0.801SS**  trans-136.3122.7155.4-56.9-177.6000109.4
369S31.9Very low35.6Very low99 Ų99133.5 Ų133.569%0.69280%0.797SS**  trans-58.1150.3175.948.90000115.3
370T32.6Very low36.1Very low128 Ų128136 Ų13679%0.78580%0.799SS**  trans-61157.8157.442.70000112.3
371P36.7Very low36.6Very low127 Ų127138.1 Ų138.183%0.82580%0.8SS**  -131.9139.9129.626.5-10.2000113.7
372V35.3Very low36.6Very low116 Ų116134.8 Ų134.870%0.70380%0.797SS**  trans-82.1149.2167.1169.80000109.2
373L35.4Very low36.9Very low152 Ų152134 Ų13480%0.79680%0.803SS**  trans167.198.6135.1-87.6157.8000108.4
374T36.9Very low37.4Very low105 Ų105140.8 Ų140.864%0.64482%0.823SS**  92.6115.886.5500000115.3
375N33.9Very low37.4Very low158 Ų158141.4 Ų141.485%0.84583%0.825SS**  trans42.7121.2135.6-70.7-7.7000120.7
376A36.4Very low38Very low107 Ų107136.7 Ų136.788%0.88482%0.823SS**  171.6139.398.800000110.6
377G36.6Very low38.3Very low80 Ų80135.8 Ų135.883%0.82582%0.824SS**  trans154.384.6165.600000116
378T45.9Very low39Very low139 Ų139133.8 Ų133.885%0.85383%0.826SS**  trans-55.7156.2177.5-27.50000115.2
379P43.9Very low39.2Very low118 Ų118132.2 Ų132.277%0.76683%0.826SS**  trans-97153.5175.136.5-31.9000113.7
380Q45.8Very low39.7Very low198 Ų198134.4 Ų134.493%0.92584%0.835SS**  trans-152157.3156.7-101.6-167.72.200112.6
381P43.6Very low40.2Very low115 Ų115134.9 Ų134.975%0.74784%0.838SS**  trans-109.6165.2-165.640.3-30.6000116.3
382A39.6Very low40.5Very low99 Ų99135.5 Ų135.582%0.81884%0.839SS**  trans60.3119.6151.400000122.1
383A45.9Very low41Very low100 Ų100137.1 Ų137.183%0.82685%0.851SS**  143.6120114.300000113.3
384Q47.7Very low41.5Very low274 Ų274135.7 Ų135.7100%1.2886%0.856SS**  trans-144.80132.3-91.7-171.62.500108.4

Retrieved 384 of 384 residues in 251 ms (Link to these results)

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