A0A087X9J9_POEFO Loading...

Serine--tRNA ligase, mitochondrial

Catalyzes the attachment of serine to tRNA(Ser). Is also probably able to aminoacylate tRNA(Sec) with serine, to form the misacylated tRNA L-seryl-tRNA(Sec), which will be further converted into selenocysteinyl-tRNA(Sec).

AlphaFold DB , UniProt , Accession A0A087X9J9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 479 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
1V60Low90.7Very high157 Ų15765.1 Ų65.195%0.95232%0.323SS*.  0135.80178.60000106.8N238V1-N238 HydrophobicContact CG1-CB 4.02Å
2R80.7Confident91.2Very high175 Ų17564.9 Ų64.966%0.6635%0.35SS*.  trans-72132.9175.4-72.9176.2174.6-1556.1108.6E7R2-E7 HydrophobicContact CB-CG 4.36Å; R2-E7 VanDerWaalsContact CD-OE1 3.3Å; R2-E7 WeakPolarHBondContact CD-OE1 3.45Å; R2-E7 IonicContact NE-OE1 2.71Å; R2-E7 IonicContact NH1-OE1 3.45Å; R2-E7 IonicContact NH1-OE2 3.53Å
3S92.3Very high91.7Very high13 Ų1371.6 Ų71.69%0.09137%0.369CS..  trans-74.8126.7177.3166.20000109.2L5 Y6 E7 L129 E231S3-L5 VanDerWaalsContact C-N 3.27Å; S3-L5 PolarHBondContact O-N 2.97Å; S3-L5 PolarHBondContact OG-N 2.95Å; S3-Y6 PolarHBondContact O-N 3.07Å; S3-Y6 PolarHBondContact OG-N 3.35Å; S3-Y6 VanDerWaalsContact OG-N 3.17Å; S3-E7 WeakPolarHBondContact O-CG 3.34Å; S3-E7 PolarHBondContact O-N 3.37Å; S3-L129 VanDerWaalsContact OG-CD1 3.22Å; S3-L129 WeakPolarHBondContact OG-CD1 3.26Å; S3-E231 WeakPolarHBondContact CA-OE1 3.19Å; S3-E231 VanDerWaalsContact CB-OE1 3.22Å; S3-E231 WeakPolarHBondContact CB-OE1 3.36Å; S3-E231 PolarHBondContact OG-OE1 2.93Å
4S94.6Very high92Very high17 Ų1767.9 Ų67.912%0.11935%0.353CS..Hα-helixtrans-65.5-33.6175.3-26.50000110.9H8 E231S4-H8 VanDerWaalsContact O-CB 3.29Å; S4-H8 WeakPolarHBondContact O-CB 3.25Å; S4-H8 PolarHBondContact O-N 2.84Å; S4-E231 VanDerWaalsContact CA-OE2 3.31Å; S4-E231 WeakPolarHBondContact CA-OE2 3.45Å; S4-E231 WeakPolarHBondContact CB-OE2 3.39Å; S4-E231 PolarHBondContact N-OE2 2.76Å; S4-E231 PolarHBondContact OG-OE2 2.88Å
5L96.4Very high92.3Very high6 Ų672 Ų723%0.03138%0.375CS..Hα-helixtrans-60.9-48.3170.8-74.8166.1000111.3S3 H8 V9 P17 L129 V228 E231 R394 L395S3-L5 VanDerWaalsContact C-N 3.27Å; S3-L5 PolarHBondContact O-N 2.97Å; S3-L5 PolarHBondContact OG-N 2.95Å; L5-H8 WeakPolarHBondContact O-CB 3.46Å; L5-H8 PolarHBondContact O-N 2.97Å; L5-V9 WeakPolarHBondContact O-CG2 3.41Å; L5-V9 PolarHBondContact O-N 2.91Å; L5-P17 HydrophobicContact CB-CG 4.27Å; L5-P17 HydrophobicContact CD2-CG 4.47Å; L5-L129 HydrophobicContact CB-CD1 3.95Å; L5-L129 HydrophobicContact CD1-CD1 4.18Å; L5-L129 HydrophobicContact CD1-CD2 3.99Å; L5-V228 HydrophobicContact CD2-CG2 3.68Å; L5-V228 HydrophobicContact CG-CG2 4.31Å; L5-E231 HydrophobicContact CD1-CB 4.27Å; L5-E231 HydrophobicContact CD1-CG 3.81Å; L5-E231 HydrophobicContact CG-CB 4.17Å; L5-E231 HydrophobicContact CG-CG 4.06Å; L5-E231 PolarHBondContact N-OE2 2.9Å; L5-R394 HydrophobicContact CD1-CB 4.02Å; L5-R394 HydrophobicContact CD1-CG 4.07Å; L5-R394 HydrophobicContact CD2-CB 4.4Å; L5-R394 VanDerWaalsContact CD2-O 3.31Å; L5-R394 WeakPolarHBondContact CD2-O 3.47Å; L5-L395 HydrophobicContact CD2-CD2 4.45Å
6Y95.1Very high92.5Very high14 Ų1472.4 Ų72.46%0.05537%0.373CS..Hα-helixtrans-68.3-40.2-178.9-168.2-110.7000112.7S3 H8 V9 L10 D121 Q122 Y125S3-Y6 PolarHBondContact O-N 3.07Å; S3-Y6 PolarHBondContact OG-N 3.35Å; S3-Y6 VanDerWaalsContact OG-N 3.17Å; Y6-H8 VanDerWaalsContact C-N 3.32Å; Y6-H8 PolarHBondContact O-N 3.49Å; Y6-V9 WeakPolarHBondContact O-CB 3.09Å; Y6-V9 PolarHBondContact O-N 2.85Å; Y6-L10 HydrophobicContact CD1-CD1 3.9Å; Y6-L10 HydrophobicContact CD1-CG 4.19Å; Y6-L10 HydrophobicContact CE1-CD1 3.67Å; Y6-L10 HydrophobicContact CE1-CD2 4.09Å; Y6-L10 HydrophobicContact CE1-CG 3.95Å; Y6-L10 WeakPolarHBondContact O-CG 3.46Å; Y6-L10 PolarHBondContact O-N 3.21Å; Y6-D121 VanDerWaalsContact CE2-OD2 3.32Å; Y6-D121 WeakPolarHBondContact CE2-OD2 3.13Å; Y6-D121 PolarHBondContact OH-OD2 3.32Å; Y6-Q122 HydrophobicContact CD1-CG 4.32Å; Y6-Q122 HydrophobicContact CE1-CB 3.77Å; Y6-Q122 HydrophobicContact CE1-CG 3.73Å; Y6-Q122 WeakPolarHBondContact OH-CA 3.32Å; Y6-Q122 PolarHBondContact OH-N 2.89Å; Y6-Y125 VanDerWaalsContact CD2-CB 3.44Å; Y6-Y125 AromaticContact CD2-CD2 3.73Å; Y6-Y125 HydrophobicContact CD2-CD2 3.73Å; Y6-Y125 AromaticContact CD2-CG 3.64Å; Y6-Y125 HydrophobicContact CD2-CG 3.64Å; Y6-Y125 AromaticContact CE2-CD2 3.55Å; Y6-Y125 HydrophobicContact CE2-CD2 3.55Å; Y6-Y125 HydrophobicContact CE2-CE2 4.42Å; Y6-Y125 AromaticContact CE2-CG 3.96Å; Y6-Y125 HydrophobicContact CE2-CG 3.96Å
7E95.1Very high92.8Very high52 Ų5268.5 Ų68.524%0.24335%0.353CS..Hα-helixtrans-63.2-39.2174.9-63.7-71.8155.200111.4R2 S3 V9 L10 E11R2-E7 HydrophobicContact CB-CG 4.36Å; R2-E7 VanDerWaalsContact CD-OE1 3.3Å; R2-E7 WeakPolarHBondContact CD-OE1 3.45Å; R2-E7 IonicContact NE-OE1 2.71Å; R2-E7 IonicContact NH1-OE1 3.45Å; R2-E7 IonicContact NH1-OE2 3.53Å; S3-E7 WeakPolarHBondContact O-CG 3.34Å; S3-E7 PolarHBondContact O-N 3.37Å; E7-V9 VanDerWaalsContact C-N 3.26Å; E7-V9 PolarHBondContact O-N 3.46Å; E7-L10 PolarHBondContact O-N 3.46Å; E7-L10 VanDerWaalsContact O-N 3.1Å; E7-E11 WeakPolarHBondContact O-CG 3.48Å; E7-E11 PolarHBondContact O-N 3.39Å
8H96.4Very high93Very high37 Ų3770.6 Ų70.617%0.17136%0.361CS..Hα-helixtrans-59.6-37.5176.7-159.868.1000112.7S4 L5 Y6 G12 Y13 S14 V228S4-H8 VanDerWaalsContact O-CB 3.29Å; S4-H8 WeakPolarHBondContact O-CB 3.25Å; S4-H8 PolarHBondContact O-N 2.84Å; L5-H8 WeakPolarHBondContact O-CB 3.46Å; L5-H8 PolarHBondContact O-N 2.97Å; Y6-H8 VanDerWaalsContact C-N 3.32Å; Y6-H8 PolarHBondContact O-N 3.49Å; H8-G12 PolarHBondContact O-N 3.16Å; H8-Y13 WeakPolarHBondContact CE1-CB 3.44Å; H8-Y13 AromaticContact CE1-CD2 3.57Å; H8-Y13 AromaticContact CE1-CG 3.73Å; H8-Y13 AromaticContact ND1-CD2 3.42Å; H8-Y13 WeakPolarHBondContact ND1-CD2 3.44Å; H8-Y13 AromaticContact ND1-CG 3.98Å; H8-Y13 VanDerWaalsContact NE2-CB 3.27Å; H8-Y13 WeakPolarHBondContact NE2-CB 3.44Å; H8-Y13 PolarHBondContact O-N 3.19Å; H8-Y13 VanDerWaalsContact O-N 3.11Å; H8-S14 PolarHBondContact CD2-OG 3.38Å; H8-S14 PolarHBondContact NE2-OG 3.29Å; H8-V228 HydrophobicContact CB-CB 4.33Å; H8-V228 HydrophobicContact CB-CG2 3.78Å
9V95.8Very high93.2Very high22 Ų2268.4 Ų68.413%0.13335%0.35CS..Hα-helixtrans-67.8-45.2173.3172.20000111.4L5 Y6 E7 E11 G12 D15 K16L5-V9 WeakPolarHBondContact O-CG2 3.41Å; L5-V9 PolarHBondContact O-N 2.91Å; Y6-V9 WeakPolarHBondContact O-CB 3.09Å; Y6-V9 PolarHBondContact O-N 2.85Å; E7-V9 VanDerWaalsContact C-N 3.26Å; E7-V9 PolarHBondContact O-N 3.46Å; V9-E11 PolarHBondContact O-N 3.11Å; V9-G12 WeakPolarHBondContact O-CA 3.35Å; V9-G12 PolarHBondContact O-N 3.4Å; V9-D15 WeakPolarHBondContact CG2-O 3.4Å; V9-K16 HydrophobicContact CB-CG 4.48Å; V9-K16 HydrophobicContact CG1-CD 4.44Å; V9-K16 HydrophobicContact CG1-CG 3.46Å; V9-K16 VanDerWaalsContact CG1-CG 3.46Å; V9-K16 HydrophobicContact CG2-CG 4.3Å
10L95.1Very high93.2Very high101 Ų10169.1 Ų69.153%0.52936%0.355SS..Hα-helixtrans-62-31.1179.8-69.7179.4000112.2Y6 E7 G12Y6-L10 HydrophobicContact CD1-CD1 3.9Å; Y6-L10 HydrophobicContact CD1-CG 4.19Å; Y6-L10 HydrophobicContact CE1-CD1 3.67Å; Y6-L10 HydrophobicContact CE1-CD2 4.09Å; Y6-L10 HydrophobicContact CE1-CG 3.95Å; Y6-L10 WeakPolarHBondContact O-CG 3.46Å; Y6-L10 PolarHBondContact O-N 3.21Å; E7-L10 PolarHBondContact O-N 3.46Å; E7-L10 VanDerWaalsContact O-N 3.1Å; L10-G12 PolarHBondContact O-N 3.39Å
11E96.2Very high93.4Very high122 Ų12266 Ų6657%0.5734%0.339SS*.THydrogen-bonded Turntrans-78.2-7.4174.3-67.3178.715300113.1E7 V9 Y13E7-E11 WeakPolarHBondContact O-CG 3.48Å; E7-E11 PolarHBondContact O-N 3.39Å; V9-E11 PolarHBondContact O-N 3.11Å; E11-Y13 HydrophobicContact CB-CD2 3.6Å; E11-Y13 HydrophobicContact CB-CE2 3.54Å; E11-Y13 HydrophobicContact CB-CG 4.38Å; E11-Y13 HydrophobicContact CG-CE2 4.29Å; E11-Y13 WeakPolarHBondContact OE2-CE2 3.36Å
12G96.4Very high95.1Very high63 Ų6360.2 Ų60.265%0.64931%0.311SS*.THydrogen-bonded Turntrans77.822.9176.200000114.1H8 V9 L10H8-G12 PolarHBondContact O-N 3.16Å; V9-G12 WeakPolarHBondContact O-CA 3.35Å; V9-G12 PolarHBondContact O-N 3.4Å; L10-G12 PolarHBondContact O-N 3.39Å
13Y97.4Very high95.7Very high152 Ų15253.5 Ų53.560%0.59629%0.293SS*.SBendtrans-83.4-33.8-179.1-65-47.1000113.6H8 E11H8-Y13 WeakPolarHBondContact CE1-CB 3.44Å; H8-Y13 AromaticContact CE1-CD2 3.57Å; H8-Y13 AromaticContact CE1-CG 3.73Å; H8-Y13 AromaticContact ND1-CD2 3.42Å; H8-Y13 WeakPolarHBondContact ND1-CD2 3.44Å; H8-Y13 AromaticContact ND1-CG 3.98Å; H8-Y13 VanDerWaalsContact NE2-CB 3.27Å; H8-Y13 WeakPolarHBondContact NE2-CB 3.44Å; H8-Y13 PolarHBondContact O-N 3.19Å; H8-Y13 VanDerWaalsContact O-N 3.11Å; E11-Y13 HydrophobicContact CB-CD2 3.6Å; E11-Y13 HydrophobicContact CB-CE2 3.54Å; E11-Y13 HydrophobicContact CB-CG 4.38Å; E11-Y13 HydrophobicContact CG-CE2 4.29Å; E11-Y13 WeakPolarHBondContact OE2-CE2 3.36Å
14S97.1Very high95.9Very high20 Ų2053.9 Ų53.914%0.1429%0.294CS..SBendtrans-142.6163.1177.2-53.40000111.2H8 M270 D271H8-S14 PolarHBondContact CD2-OG 3.38Å; H8-S14 PolarHBondContact NE2-OG 3.29Å; S14-M270 VanDerWaalsContact OG-CE 3.29Å; S14-M270 WeakPolarHBondContact OG-CE 3.37Å; S14-D271 WeakPolarHBondContact CB-OD2 3.43Å; S14-D271 PolarHBondContact OG-OD2 2.96Å
15D96Very high96.1Very high129 Ų12954.6 Ų54.669%0.6930%0.299SS*.PPolyproline II helixtrans-68.5160.6170.2-76.9-31.8000111.8V9V9-D15 WeakPolarHBondContact CG2-O 3.4Å
16K95.8Very high96.1Very high79 Ų7962.5 Ų62.534%0.34334%0.336SS..PPolyproline II helixtrans-60.7138.4177.2-78.3176.8178.9-173.60111.1V9 E18 D121 Y125V9-K16 HydrophobicContact CB-CG 4.48Å; V9-K16 HydrophobicContact CG1-CD 4.44Å; V9-K16 HydrophobicContact CG1-CG 3.46Å; V9-K16 VanDerWaalsContact CG1-CG 3.46Å; V9-K16 HydrophobicContact CG2-CG 4.3Å; K16-E18 PolarHBondContact O-N 3.25Å; K16-D121 WeakPolarHBondContact CE-OD2 3.33Å; K16-D121 IonicContact NZ-OD1 2.66Å; K16-D121 PolarHBondContact NZ-OD1 3.07Å; K16-D121 IonicContact NZ-OD2 2.81Å; K16-D121 PolarHBondContact NZ-OD2 2.78Å; K16-Y125 HydrophobicContact CB-CE2 4.49Å; K16-Y125 WeakPolarHBondContact CB-OH 2.83Å; K16-Y125 HydrophobicContact CD-CE2 3.86Å; K16-Y125 HydrophobicContact CG-CE2 4.27Å
17P97.3Very high96.2Very high5 Ų565.9 Ų65.93%0.03235%0.352CS..PPolyproline II helixtrans-52.8129.7168.4-29.536.9000111.8L5 L19 Y125 L129 R393L5-P17 HydrophobicContact CB-CG 4.27Å; L5-P17 HydrophobicContact CD2-CG 4.47Å; P17-L19 PolarHBondContact O-N 2.94Å; P17-Y125 HydrophobicContact CB-CE1 4.15Å; P17-Y125 HydrophobicContact CG-CE1 4.45Å; P17-Y125 VanDerWaalsContact O-CE1 3.31Å; P17-Y125 WeakPolarHBondContact O-CE1 3.4Å; P17-Y125 PolarHBondContact O-OH 2.91Å; P17-L129 HydrophobicContact CB-CD2 3.86Å; P17-L129 HydrophobicContact CG-CD2 4.01Å; P17-R393 CarbonylContact C-O 3.58Å; P17-R393 VanDerWaalsContact CA-O 3.23Å; P17-R393 WeakPolarHBondContact CA-O 3.3Å
18E96.4Very high96.3Very high106 Ų10664.8 Ų64.850%0.49535%0.349SS..  trans-97.284.6-177.9-166.5-178.3153.500110.3K16 R393 Y408K16-E18 PolarHBondContact O-N 3.25Å; E18-R393 PolarHBondContact N-O 2.89Å; E18-R393 VanDerWaalsContact N-O 3.08Å; E18-R393 WeakPolarHBondContact O-CB 3.47Å; E18-R393 WeakPolarHBondContact O-CD 3.3Å; E18-R393 VanDerWaalsContact O-CG 3.29Å; E18-R393 WeakPolarHBondContact O-CG 3.33Å; E18-R393 PolarHBondContact O-NH1 3.25Å; E18-Y408 HydrophobicContact CB-CE2 4.04Å; E18-Y408 WeakPolarHBondContact CB-OH 3.42Å; E18-Y408 HydrophobicContact CG-CE2 4.31Å; E18-Y408 WeakPolarHBondContact OE2-CE2 3.24Å; E18-Y408 PolarHBondContact OE2-OH 3.37Å
19L96.2Very high96.4Very high29 Ų2969.1 Ų69.115%0.15237%0.373CS..  trans-77.3140.1175.1-53.3179.6000110.1P17 M21 A128 L129P17-L19 PolarHBondContact O-N 2.94Å; L19-M21 HydrophobicContact CB-CG 4.18Å; L19-M21 HydrophobicContact CB-SD 4.15Å; L19-M21 PolarHBondContact O-N 3.08Å; L19-A128 HydrophobicContact CD1-CB 3.53Å; L19-L129 HydrophobicContact CD1-CD2 4.22Å; L19-L129 HydrophobicContact CD2-CD2 4.29Å
20D94.4Very high96.5Very high83 Ų8374.2 Ų74.244%0.44439%0.394SS..  trans-75.571.2174.9-170.4-6.7000111.4G22 A23 V24D20-G22 PolarHBondContact O-N 2.65Å; D20-G22 PolarHBondContact OD1-N 3.41Å; D20-A23 HydrophobicContact CB-CB 4.38Å; D20-A23 PolarHBondContact O-N 3.32Å; D20-A23 PolarHBondContact OD1-N 2.84Å; D20-A23 WeakPolarHBondContact OD2-CB 3.36Å; D20-V24 WeakPolarHBondContact O-CG2 3.24Å; D20-V24 PolarHBondContact O-N 2.69Å; D20-V24 VanDerWaalsContact O-N 3.14Å
21M97Very high96.7Very high4 Ų470.1 Ų70.12%0.0237%0.373CS..Hα-helixtrans-70-18.4-180-67.2-52.9-54.200112.8L19 V24 C25 I50 W54 A128L19-M21 HydrophobicContact CB-CG 4.18Å; L19-M21 HydrophobicContact CB-SD 4.15Å; L19-M21 PolarHBondContact O-N 3.08Å; M21-V24 HydrophobicContact CE-CB 4.04Å; M21-V24 HydrophobicContact CE-CG1 3.86Å; M21-V24 HydrophobicContact SD-CB 4.36Å; M21-V24 HydrophobicContact SD-CG2 4.33Å; M21-C25 WeakPolarHBondContact O-CB 3.38Å; M21-C25 PolarHBondContact O-N 3.2Å; M21-C25 PolarHBondContact O-SG 3.23Å; M21-I50 HydrophobicContact CE-CG2 3.86Å; M21-W54 HydrophobicContact CB-CD2 3.83Å; M21-W54 VanDerWaalsContact CB-CE2 3.46Å; M21-W54 HydrophobicContact CB-CE3 4.42Å; M21-W54 HydrophobicContact CB-CG 4.15Å; M21-W54 HydrophobicContact CB-CH2 4.31Å; M21-W54 HydrophobicContact CB-CZ2 3.74Å; M21-W54 HydrophobicContact CE-CB 4.04Å; M21-W54 HydrophobicContact CE-CG 4.07Å; M21-W54 HydrophobicContact CG-CD2 3.98Å; M21-W54 HydrophobicContact CG-CE3 4.14Å; M21-W54 HydrophobicContact CG-CG 4.44Å; M21-W54 HydrophobicContact CG-CH2 4.38Å; M21-W54 HydrophobicContact CG-CZ2 4.28Å; M21-W54 HydrophobicContact CG-CZ3 4.33Å; M21-A128 HydrophobicContact SD-CB 4.36Å
22G94.9Very high96.8Very high35 Ų3565.3 Ų65.336%0.36135%0.351SS..Hα-helixtrans-61.9-56.7171.500000110.1D20 V24 C25 E26D20-G22 PolarHBondContact O-N 2.65Å; D20-G22 PolarHBondContact OD1-N 3.41Å; G22-V24 VanDerWaalsContact C-N 3.31Å; G22-V24 PolarHBondContact O-N 3.45Å; G22-C25 PolarHBondContact O-N 3.06Å; G22-C25 VanDerWaalsContact O-N 3.15Å; G22-E26 WeakPolarHBondContact O-CG 3.39Å; G22-E26 PolarHBondContact O-N 2.93Å
23A94.2Very high96.9Very high34 Ų3464.6 Ų64.628%0.28134%0.339SS..Hα-helixtrans-59.2-41175.700000112.3D20 C25 E26 E27D20-A23 HydrophobicContact CB-CB 4.38Å; D20-A23 PolarHBondContact O-N 3.32Å; D20-A23 PolarHBondContact OD1-N 2.84Å; D20-A23 WeakPolarHBondContact OD2-CB 3.36Å; A23-C25 VanDerWaalsContact C-N 3.3Å; A23-C25 PolarHBondContact O-N 2.88Å; A23-E26 PolarHBondContact O-N 3.29Å; A23-E27 WeakPolarHBondContact O-CA 3.45Å; A23-E27 WeakPolarHBondContact O-CB 3.42Å; A23-E27 PolarHBondContact O-N 2.78Å
24V96.9Very high96.9Very high21 Ų2158.2 Ų58.213%0.12732%0.315CS..Hα-helixtrans-61-38.9177.6173.90000112.1D20 M21 G22 T28 V31 V51 L131D20-V24 WeakPolarHBondContact O-CG2 3.24Å; D20-V24 PolarHBondContact O-N 2.69Å; D20-V24 VanDerWaalsContact O-N 3.14Å; M21-V24 HydrophobicContact CE-CB 4.04Å; M21-V24 HydrophobicContact CE-CG1 3.86Å; M21-V24 HydrophobicContact SD-CB 4.36Å; M21-V24 HydrophobicContact SD-CG2 4.33Å; G22-V24 VanDerWaalsContact C-N 3.31Å; G22-V24 PolarHBondContact O-N 3.45Å; V24-T28 VanDerWaalsContact O-CA 3.31Å; V24-T28 WeakPolarHBondContact O-CA 3.4Å; V24-T28 PolarHBondContact O-N 2.94Å; V24-T28 PolarHBondContact O-OG1 3.15Å; V24-T28 VanDerWaalsContact O-OG1 3.13Å; V24-V31 HydrophobicContact CG1-CG2 4.44Å; V24-V31 HydrophobicContact CG2-CG2 4.43Å; V24-V51 HydrophobicContact CG1-CG2 4.02Å; V24-L131 HydrophobicContact CG1-CD1 4.43Å; V24-L131 HydrophobicContact CG2-CD1 4.43Å
25C97.1Very high97Very high32 Ų3257.4 Ų57.422%0.21631%0.309CS..Hα-helixtrans-72.9-48.1177.5-68.10000111.9M21 G22 A23 E27 T28 W54M21-C25 WeakPolarHBondContact O-CB 3.38Å; M21-C25 PolarHBondContact O-N 3.2Å; M21-C25 PolarHBondContact O-SG 3.23Å; G22-C25 PolarHBondContact O-N 3.06Å; G22-C25 VanDerWaalsContact O-N 3.15Å; A23-C25 VanDerWaalsContact C-N 3.3Å; A23-C25 PolarHBondContact O-N 2.88Å; C25-E27 VanDerWaalsContact C-N 3.32Å; C25-E27 PolarHBondContact O-N 3.19Å; C25-T28 PolarHBondContact O-OG1 2.91Å; C25-W54 VanDerWaalsContact SG-CD1 3.5Å
26E97.4Very high97.1Very high173 Ų17355 Ų5581%0.80829%0.294SS*.Hα-helixtrans-65.4-35.8-177.9-70.6178.5-17600112.2G22 A23G22-E26 WeakPolarHBondContact O-CG 3.39Å; G22-E26 PolarHBondContact O-N 2.93Å; A23-E26 PolarHBondContact O-N 3.29Å
27E97.3Very high97.2Very high85 Ų8554.6 Ų54.640%0.39730%0.296SS..THydrogen-bonded Turntrans-111.731.8-176-49.9-157.9141.100113.2A23 C25 D29 K30 V31A23-E27 WeakPolarHBondContact O-CA 3.45Å; A23-E27 WeakPolarHBondContact O-CB 3.42Å; A23-E27 PolarHBondContact O-N 2.78Å; C25-E27 VanDerWaalsContact C-N 3.32Å; C25-E27 PolarHBondContact O-N 3.19Å; E27-D29 VanDerWaalsContact C-N 3.26Å; E27-D29 PolarHBondContact O-N 3.28Å; E27-D29 VanDerWaalsContact O-N 3.09Å; E27-K30 HydrophobicContact CB-CB 4.25Å; E27-K30 HydrophobicContact CB-CD 4.18Å; E27-K30 HydrophobicContact CB-CG 4.42Å; E27-K30 VanDerWaalsContact CD-NZ 3.25Å; E27-K30 WeakPolarHBondContact O-CA 3.4Å; E27-K30 WeakPolarHBondContact O-CB 3.22Å; E27-K30 PolarHBondContact O-N 2.67Å; E27-K30 IonicContact OE1-NZ 3.68Å; E27-K30 PolarHBondContact OE1-NZ 3.02Å; E27-K30 WeakPolarHBondContact OE2-CD 3.43Å; E27-K30 IonicContact OE2-NZ 2.83Å; E27-K30 PolarHBondContact OE2-NZ 3.44Å; E27-V31 PolarHBondContact O-N 3.44Å
28T98.2Very high97.2Very high28 Ų2854.9 Ų54.917%0.17230%0.296CS..Hα-helixtrans-47.3-45.8-174.4-62.80000112.9V24 C25 K30 V31 I32 V47 V51V24-T28 VanDerWaalsContact O-CA 3.31Å; V24-T28 WeakPolarHBondContact O-CA 3.4Å; V24-T28 PolarHBondContact O-N 2.94Å; V24-T28 PolarHBondContact O-OG1 3.15Å; V24-T28 VanDerWaalsContact O-OG1 3.13Å; C25-T28 PolarHBondContact O-OG1 2.91Å; T28-K30 VanDerWaalsContact C-N 3.33Å; T28-K30 PolarHBondContact O-N 2.93Å; T28-V31 PolarHBondContact O-N 3.42Å; T28-I32 HydrophobicContact CG2-CD1 3.95Å; T28-I32 HydrophobicContact CG2-CG1 4.42Å; T28-I32 WeakPolarHBondContact O-CG1 3.42Å; T28-I32 PolarHBondContact O-N 2.97Å; T28-V47 HydrophobicContact CG2-CG1 4.37Å; T28-V51 HydrophobicContact CG2-CG2 4.23Å
29D98.2Very high97.2Very high128 Ų12855.6 Ų55.668%0.68430%0.297SS*.Hα-helixtrans-65.1-34.7-179-69.9-28.7000112.9E27 I32 A33E27-D29 VanDerWaalsContact C-N 3.26Å; E27-D29 PolarHBondContact O-N 3.28Å; E27-D29 VanDerWaalsContact O-N 3.09Å; D29-I32 PolarHBondContact O-N 2.78Å; D29-A33 PolarHBondContact O-N 3.17Å
30K97.8Very high97Very high129 Ų12956 Ų5656%0.56131%0.308SS*.Hα-helixtrans-69.4-39.9174.4-64.1-174.3-168.3164.30110.9E27 T28 I32 A33 N34E27-K30 HydrophobicContact CB-CB 4.25Å; E27-K30 HydrophobicContact CB-CD 4.18Å; E27-K30 HydrophobicContact CB-CG 4.42Å; E27-K30 VanDerWaalsContact CD-NZ 3.25Å; E27-K30 WeakPolarHBondContact O-CA 3.4Å; E27-K30 WeakPolarHBondContact O-CB 3.22Å; E27-K30 PolarHBondContact O-N 2.67Å; E27-K30 IonicContact OE1-NZ 3.68Å; E27-K30 PolarHBondContact OE1-NZ 3.02Å; E27-K30 WeakPolarHBondContact OE2-CD 3.43Å; E27-K30 IonicContact OE2-NZ 2.83Å; E27-K30 PolarHBondContact OE2-NZ 3.44Å; T28-K30 VanDerWaalsContact C-N 3.33Å; T28-K30 PolarHBondContact O-N 2.93Å; K30-I32 VanDerWaalsContact C-N 3.33Å; K30-A33 PolarHBondContact O-N 3.14Å; K30-N34 WeakPolarHBondContact O-CB 3.47Å; K30-N34 PolarHBondContact O-N 2.7Å
31V98.3Very high96.8Very high15 Ų1556.8 Ų56.89%0.09131%0.313CS..Hα-helixtrans-63.6-41.6175.6-1790000110.5V24 E27 T28 N34 V35 V47 L131V24-V31 HydrophobicContact CG1-CG2 4.44Å; V24-V31 HydrophobicContact CG2-CG2 4.43Å; E27-V31 PolarHBondContact O-N 3.44Å; T28-V31 PolarHBondContact O-N 3.42Å; V31-N34 WeakPolarHBondContact O-CB 3.41Å; V31-N34 PolarHBondContact O-N 2.78Å; V31-V35 WeakPolarHBondContact O-CG1 3.19Å; V31-V35 PolarHBondContact O-N 3.31Å; V31-V47 HydrophobicContact CB-CG1 4.12Å; V31-V47 HydrophobicContact CG1-CG1 3.74Å; V31-V47 HydrophobicContact CG1-CG2 4.22Å; V31-L131 HydrophobicContact CG1-CD2 4.18Å
32I98.6Very high96.7Very high22 Ų2256.8 Ų56.811%0.11331%0.313CS..Hα-helixtrans-57.9-51.8173-70.1170.4000110.3T28 D29 K30 N34 V35 E36 V47 R48T28-I32 HydrophobicContact CG2-CD1 3.95Å; T28-I32 HydrophobicContact CG2-CG1 4.42Å; T28-I32 WeakPolarHBondContact O-CG1 3.42Å; T28-I32 PolarHBondContact O-N 2.97Å; D29-I32 PolarHBondContact O-N 2.78Å; K30-I32 VanDerWaalsContact C-N 3.33Å; I32-N34 VanDerWaalsContact C-N 3.26Å; I32-N34 PolarHBondContact O-N 3.39Å; I32-V35 WeakPolarHBondContact O-CG2 3.37Å; I32-V35 PolarHBondContact O-N 3.43Å; I32-E36 HydrophobicContact CG2-CG 4.31Å; I32-E36 VanDerWaalsContact O-CG 3.29Å; I32-E36 WeakPolarHBondContact O-CG 3.23Å; I32-E36 PolarHBondContact O-N 3.23Å; I32-V47 HydrophobicContact CG1-CB 3.85Å; I32-V47 HydrophobicContact CG1-CG1 3.89Å; I32-V47 HydrophobicContact CG1-CG2 4.33Å; I32-R48 HydrophobicContact CD1-CG 4.03Å
33A98.3Very high96.8Very high48 Ų4860 Ų6040%0.39731%0.314SS..Hα-helixtrans-59-39178.300000112.2D29 K30 N37D29-A33 PolarHBondContact O-N 3.17Å; K30-A33 PolarHBondContact O-N 3.14Å; A33-N37 WeakPolarHBondContact O-CB 3.28Å; A33-N37 PolarHBondContact O-N 3.5Å; A33-N37 PolarHBondContact O-ND2 3.2Å
34N98.2Very high96.9Very high18 Ų1858.5 Ų58.510%0.09630%0.303CS..Hα-helixtrans-62.2-49.4176.9-175.151.7000112.2K30 V31 I32 E36 N37 R38 N133 T135K30-N34 WeakPolarHBondContact O-CB 3.47Å; K30-N34 PolarHBondContact O-N 2.7Å; V31-N34 WeakPolarHBondContact O-CB 3.41Å; V31-N34 PolarHBondContact O-N 2.78Å; I32-N34 VanDerWaalsContact C-N 3.26Å; I32-N34 PolarHBondContact O-N 3.39Å; N34-E36 VanDerWaalsContact C-N 3.34Å; N34-E36 PolarHBondContact O-N 3.35Å; N34-N37 PolarHBondContact O-N 3.39Å; N34-R38 WeakPolarHBondContact O-CG 3.44Å; N34-R38 PolarHBondContact O-N 2.84Å; N34-R38 VanDerWaalsContact O-N 3.09Å; N34-N133 PolarHBondContact ND2-O 2.91Å; N34-T135 VanDerWaalsContact OD1-CB 3.26Å; N34-T135 WeakPolarHBondContact OD1-CB 3.32Å; N34-T135 PolarHBondContact OD1-OG1 3.18Å
35V97.9Very high97Very high3 Ų363 Ų632%0.01833%0.325CS..Hα-helixtrans-66.8-36.4-179.5-59.70000112.3V31 I32 R38 K39 V47 L131 P132V31-V35 WeakPolarHBondContact O-CG1 3.19Å; V31-V35 PolarHBondContact O-N 3.31Å; I32-V35 WeakPolarHBondContact O-CG2 3.37Å; I32-V35 PolarHBondContact O-N 3.43Å; V35-R38 PolarHBondContact O-N 3.29Å; V35-K39 PolarHBondContact O-N 3.22Å; V35-V47 HydrophobicContact CB-CG2 4.45Å; V35-V47 HydrophobicContact CG1-CG2 3.99Å; V35-V47 HydrophobicContact CG2-CG2 3.62Å; V35-L131 HydrophobicContact CG1-CD2 4.26Å; V35-P132 HydrophobicContact CG1-CG 3.98Å
36E98.1Very high97Very high79 Ų7964 Ų6437%0.36933%0.329SS..Hα-helixtrans-67.2-43.8177.1-68-62.9162.600111.3I32 N34 R38 K39 R43 G44I32-E36 HydrophobicContact CG2-CG 4.31Å; I32-E36 VanDerWaalsContact O-CG 3.29Å; I32-E36 WeakPolarHBondContact O-CG 3.23Å; I32-E36 PolarHBondContact O-N 3.23Å; N34-E36 VanDerWaalsContact C-N 3.34Å; N34-E36 PolarHBondContact O-N 3.35Å; E36-R38 VanDerWaalsContact C-N 3.3Å; E36-R38 PolarHBondContact O-N 3.39Å; E36-K39 WeakPolarHBondContact O-CG 3.32Å; E36-K39 PolarHBondContact O-N 3.02Å; E36-R43 WeakPolarHBondContact OE1-CA 3.5Å; E36-R43 WeakPolarHBondContact OE2-CD 3.19Å; E36-G44 PolarHBondContact OE1-N 2.91Å
37N97.7Very high97Very high70 Ų7055.8 Ų55.837%0.37429%0.29SS..Hα-helixtrans-66.8-29.8178-73.8-19.7000113A33 N34 K39 T355A33-N37 WeakPolarHBondContact O-CB 3.28Å; A33-N37 PolarHBondContact O-N 3.5Å; A33-N37 PolarHBondContact O-ND2 3.2Å; N34-N37 PolarHBondContact O-N 3.39Å; N37-K39 VanDerWaalsContact C-N 3.35Å; N37-T355 HydrophobicContact CB-CG2 4.29Å; N37-T355 VanDerWaalsContact O-CB 3.26Å; N37-T355 WeakPolarHBondContact O-CB 3.44Å; N37-T355 PolarHBondContact O-OG1 3.16Å
38R98Very high97.1Very high11 Ų1158.2 Ų58.24%0.04230%0.296CS..Hα-helixtrans-79.1-16.1176.5-72.9-173.3176.2-122-1.3113.8N34 V35 E36 G40 N133 N134 T135 L358 G359 A362N34-R38 WeakPolarHBondContact O-CG 3.44Å; N34-R38 PolarHBondContact O-N 2.84Å; N34-R38 VanDerWaalsContact O-N 3.09Å; V35-R38 PolarHBondContact O-N 3.29Å; E36-R38 VanDerWaalsContact C-N 3.3Å; E36-R38 PolarHBondContact O-N 3.39Å; R38-G40 PolarHBondContact O-N 2.77Å; R38-N133 PolarHBondContact NE-O 3.25Å; R38-N133 PolarHBondContact NH2-O 3Å; R38-N134 PolarHBondContact NH2-O 3.49Å; R38-T135 PolarHBondContact NE-OG1 3.39Å; R38-T135 PolarHBondContact NH2-OG1 3.36Å; R38-L358 VanDerWaalsContact NH2-CD1 3.32Å; R38-G359 PolarHBondContact NH1-O 2.94Å; R38-A362 PolarHBondContact NH1-O 2.73Å; R38-A362 PolarHBondContact NH2-O 3.47Å
39K95.8Very high97.1Very high120 Ų12061.6 Ų61.652%0.52231%0.308SS..THydrogen-bonded Turntrans45.733.1-176.1-59.6-160.9-166.1139.20115.3V35 E36 N37 E356V35-K39 PolarHBondContact O-N 3.22Å; E36-K39 WeakPolarHBondContact O-CG 3.32Å; E36-K39 PolarHBondContact O-N 3.02Å; N37-K39 VanDerWaalsContact C-N 3.35Å; K39-E356 HydrophobicContact CB-CG 4.03Å; K39-E356 VanDerWaalsContact CD-CD 3.49Å; K39-E356 HydrophobicContact CD-CG 4.25Å; K39-E356 WeakPolarHBondContact CD-OE1 3.43Å; K39-E356 WeakPolarHBondContact CD-OE2 3.05Å; K39-E356 WeakPolarHBondContact CE-OE1 3.46Å; K39-E356 HydrophobicContact CG-CG 3.95Å; K39-E356 VanDerWaalsContact NZ-CD 3.25Å; K39-E356 IonicContact NZ-OE1 3.87Å; K39-E356 PolarHBondContact NZ-OE1 2.86Å; K39-E356 IonicContact NZ-OE2 3.3Å; K39-E356 PolarHBondContact NZ-OE2 3.42Å; K39-E356 VanDerWaalsContact NZ-OE2 3.13Å
40G92.5Very high97.1Very high37 Ų3755.6 Ų55.638%0.38128%0.276SS..SBendtrans-71.9-148.7177.600000113.1R38 R43R38-G40 PolarHBondContact O-N 2.77Å; G40-R43 VanDerWaalsContact O-CZ 3.3Å; G40-R43 PolarHBondContact O-NH1 2.85Å; G40-R43 PolarHBondContact O-NH2 2.8Å
41D90.8Very high97.1Very high100 Ų10049.9 Ų49.954%0.53525%0.252SS..SBendtrans-79-28.6179-66.8-26.3000113.8Q236D41-Q236 PolarHBondContact OD2-NE2 3.42Å
42L95.3Very high97.1Very high5 Ų552.3 Ų52.33%0.02627%0.27CS..  trans-92.7147.6-175.7-62.1-177.1000111.8D46 I50 R130 L131L42-D46 HydrophobicContact CB-CB 4.35Å; L42-D46 HydrophobicContact CD2-CB 3.9Å; L42-I50 HydrophobicContact CD1-CD1 4.14Å; L42-R130 HydrophobicContact CD1-CB 3.94Å; L42-R130 WeakPolarHBondContact CD1-O 3.35Å; L42-R130 HydrophobicContact CD2-CB 4.28Å; L42-R130 HydrophobicContact CG-CB 4.23Å; L42-L131 HydrophobicContact CD1-CD2 3.77Å; L42-L131 HydrophobicContact CD1-CG 4.14Å
43R96.2Very high97.1Very high101 Ų10151.8 Ų51.838%0.38127%0.268SS..  trans-122.9174.9173.1-61.9-67.7173.9-90.5-3.9110.8E36 G40 D45 D46 V47E36-R43 WeakPolarHBondContact OE1-CA 3.5Å; E36-R43 WeakPolarHBondContact OE2-CD 3.19Å; G40-R43 VanDerWaalsContact O-CZ 3.3Å; G40-R43 PolarHBondContact O-NH1 2.85Å; G40-R43 PolarHBondContact O-NH2 2.8Å; R43-D45 VanDerWaalsContact C-N 3.27Å; R43-D45 PolarHBondContact O-N 3.48Å; R43-D46 PolarHBondContact N-OD2 3.15Å; R43-D46 WeakPolarHBondContact O-CB 3.35Å; R43-D46 PolarHBondContact O-N 3.25Å; R43-V47 PolarHBondContact O-N 3.12Å
44G96.9Very high97.1Very high4 Ų452.1 Ų52.14%0.04126%0.259CS..Hα-helixtrans-56.8-36-175.200000114.5E36 D46 V47 R48E36-G44 PolarHBondContact OE1-N 2.91Å; G44-D46 VanDerWaalsContact C-N 3.33Å; G44-D46 PolarHBondContact O-N 2.76Å; G44-V47 PolarHBondContact O-N 3.26Å; G44-R48 PolarHBondContact O-N 2.85Å; G44-R48 VanDerWaalsContact O-N 3.1Å
45D97.6Very high97.1Very high114 Ų11456.6 Ų56.661%0.6128%0.279SS*.Hα-helixtrans-67.7-33.8176.7-72.8-24.1000112.6R43 V47 R48 K49R43-D45 VanDerWaalsContact C-N 3.27Å; R43-D45 PolarHBondContact O-N 3.48Å; D45-V47 VanDerWaalsContact C-N 3.33Å; D45-R48 PolarHBondContact O-N 2.86Å; D45-R48 IonicContact OD1-CZ 2.72Å; D45-R48 IonicContact OD1-NH1 2.62Å; D45-R48 PolarHBondContact OD1-NH1 3.04Å; D45-K49 PolarHBondContact O-N 2.85Å
46D98.1Very high97.2Very high54 Ų5460 Ų6029%0.28930%0.295SS..Hα-helixtrans-65.6-40174.4-57.4-62.6000110.8L42 R43 G44 K49 I50L42-D46 HydrophobicContact CB-CB 4.35Å; L42-D46 HydrophobicContact CD2-CB 3.9Å; R43-D46 PolarHBondContact N-OD2 3.15Å; R43-D46 WeakPolarHBondContact O-CB 3.35Å; R43-D46 PolarHBondContact O-N 3.25Å; G44-D46 VanDerWaalsContact C-N 3.33Å; G44-D46 PolarHBondContact O-N 2.76Å; D46-K49 WeakPolarHBondContact O-CB 3.37Å; D46-K49 PolarHBondContact O-N 3.13Å; D46-I50 VanDerWaalsContact O-CG1 3.27Å; D46-I50 WeakPolarHBondContact O-CG1 3.44Å; D46-I50 PolarHBondContact O-N 3.13Å
47V98.2Very high97.2Very high0 Ų056.3 Ų56.30%028%0.277CS..Hα-helixtrans-61.8-47.3176.11800000110.5T28 V31 I32 V35 R43 G44 D45 K49 I50 V51 L131T28-V47 HydrophobicContact CG2-CG1 4.37Å; V31-V47 HydrophobicContact CB-CG1 4.12Å; V31-V47 HydrophobicContact CG1-CG1 3.74Å; V31-V47 HydrophobicContact CG1-CG2 4.22Å; I32-V47 HydrophobicContact CG1-CB 3.85Å; I32-V47 HydrophobicContact CG1-CG1 3.89Å; I32-V47 HydrophobicContact CG1-CG2 4.33Å; V35-V47 HydrophobicContact CB-CG2 4.45Å; V35-V47 HydrophobicContact CG1-CG2 3.99Å; V35-V47 HydrophobicContact CG2-CG2 3.62Å; R43-V47 PolarHBondContact O-N 3.12Å; G44-V47 PolarHBondContact O-N 3.26Å; D45-V47 VanDerWaalsContact C-N 3.33Å; V47-K49 VanDerWaalsContact C-N 3.26Å; V47-K49 PolarHBondContact O-N 3.34Å; V47-I50 WeakPolarHBondContact O-CB 3.19Å; V47-I50 PolarHBondContact O-N 3.14Å; V47-I50 VanDerWaalsContact O-N 3.12Å; V47-V51 WeakPolarHBondContact O-CG2 3.46Å; V47-V51 PolarHBondContact O-N 3.13Å; V47-L131 HydrophobicContact CG2-CD2 4.19Å
48R98.3Very high97.2Very high137 Ų13756.1 Ų56.152%0.51727%0.274SS..Hα-helixtrans-58.4-40.7176.1-67.8177.9-172.6128.62.5111.8I32 G44 D45 V51 S52I32-R48 HydrophobicContact CD1-CG 4.03Å; G44-R48 PolarHBondContact O-N 2.85Å; G44-R48 VanDerWaalsContact O-N 3.1Å; D45-R48 PolarHBondContact O-N 2.86Å; D45-R48 IonicContact OD1-CZ 2.72Å; D45-R48 IonicContact OD1-NH1 2.62Å; D45-R48 PolarHBondContact OD1-NH1 3.04Å; R48-V51 PolarHBondContact O-N 3.44Å; R48-S52 WeakPolarHBondContact O-CB 3.42Å; R48-S52 PolarHBondContact O-N 2.99Å
49K98.2Very high97.2Very high98 Ų9858.3 Ų58.343%0.42630%0.295SS..Hα-helixtrans-62.9-46.3175.3-171.9-177.9177.5-165.70111.3D45 D46 V47 V51 S52 V53 E123D45-K49 PolarHBondContact O-N 2.85Å; D46-K49 WeakPolarHBondContact O-CB 3.37Å; D46-K49 PolarHBondContact O-N 3.13Å; V47-K49 VanDerWaalsContact C-N 3.26Å; V47-K49 PolarHBondContact O-N 3.34Å; K49-V51 VanDerWaalsContact C-N 3.32Å; K49-V51 PolarHBondContact O-N 3.42Å; K49-S52 PolarHBondContact O-N 3.37Å; K49-V53 HydrophobicContact CG-CG2 4.31Å; K49-V53 WeakPolarHBondContact O-CG2 3.37Å; K49-V53 PolarHBondContact O-N 2.78Å; K49-E123 WeakPolarHBondContact CE-OE1 3.42Å; K49-E123 IonicContact NZ-OE1 2.73Å; K49-E123 PolarHBondContact NZ-OE1 3.17Å
50I98.3Very high97.3Very high2 Ų253.1 Ų53.11%0.0127%0.273CS..Hα-helixtrans-56.7-46.5177.2-71.2161.8000110.9M21 L42 D46 V47 V53 W54 Q127 A128 L131M21-I50 HydrophobicContact CE-CG2 3.86Å; L42-I50 HydrophobicContact CD1-CD1 4.14Å; D46-I50 VanDerWaalsContact O-CG1 3.27Å; D46-I50 WeakPolarHBondContact O-CG1 3.44Å; D46-I50 PolarHBondContact O-N 3.13Å; V47-I50 WeakPolarHBondContact O-CB 3.19Å; V47-I50 PolarHBondContact O-N 3.14Å; V47-I50 VanDerWaalsContact O-N 3.12Å; I50-V53 PolarHBondContact O-N 3.02Å; I50-W54 WeakPolarHBondContact O-CB 3.42Å; I50-W54 PolarHBondContact O-N 2.82Å; I50-Q127 HydrophobicContact CD1-CB 4.04Å; I50-Q127 HydrophobicContact CG1-CB 3.55Å; I50-A128 HydrophobicContact CG2-CB 4.08Å; I50-L131 HydrophobicContact CD1-CD1 4.27Å; I50-L131 HydrophobicContact CD1-CD2 3.97Å; I50-L131 HydrophobicContact CD1-CG 3.97Å; I50-L131 HydrophobicContact CG2-CD1 4.21Å
51V98.4Very high97.6Very high10 Ų1054.9 Ų54.96%0.06127%0.268CS..Hα-helixtrans-61.4-46.8176.9174.30000111.3V24 T28 V47 R48 K49 V53 W54 Q55V24-V51 HydrophobicContact CG1-CG2 4.02Å; T28-V51 HydrophobicContact CG2-CG2 4.23Å; V47-V51 WeakPolarHBondContact O-CG2 3.46Å; V47-V51 PolarHBondContact O-N 3.13Å; R48-V51 PolarHBondContact O-N 3.44Å; K49-V51 VanDerWaalsContact C-N 3.32Å; K49-V51 PolarHBondContact O-N 3.42Å; V51-V53 PolarHBondContact O-N 2.87Å; V51-W54 PolarHBondContact O-N 3.15Å; V51-Q55 HydrophobicContact CG1-CG 4.42Å; V51-Q55 WeakPolarHBondContact O-CG 3.39Å; V51-Q55 PolarHBondContact O-N 3.35Å
52S98.4Very high98Very high66 Ų6653.3 Ų53.346%0.46226%0.263SS..Hα-helixtrans-60.3-45.5178.6-175.40000112.4R48 K49 W54 Q55 E56R48-S52 WeakPolarHBondContact O-CB 3.42Å; R48-S52 PolarHBondContact O-N 2.99Å; K49-S52 PolarHBondContact O-N 3.37Å; S52-W54 VanDerWaalsContact C-N 3.34Å; S52-W54 PolarHBondContact O-N 2.88Å; S52-Q55 PolarHBondContact O-N 2.94Å; S52-E56 PolarHBondContact O-N 2.94Å
53V98.4Very high98.1Very high11 Ų1156.2 Ų56.27%0.06728%0.276CS..Hα-helixtrans-63.1-42.2178.8170.40000110.5K49 I50 V51 E56 L57 L120 E123 H124K49-V53 HydrophobicContact CG-CG2 4.31Å; K49-V53 WeakPolarHBondContact O-CG2 3.37Å; K49-V53 PolarHBondContact O-N 2.78Å; I50-V53 PolarHBondContact O-N 3.02Å; V51-V53 PolarHBondContact O-N 2.87Å; V53-E56 PolarHBondContact O-N 3.46Å; V53-L57 WeakPolarHBondContact O-CB 3.44Å; V53-L57 PolarHBondContact O-N 2.94Å; V53-L120 HydrophobicContact CG1-CD2 4.12Å; V53-E123 HydrophobicContact CG1-CB 4.22Å; V53-E123 HydrophobicContact CG1-CG 4.13Å; V53-E123 HydrophobicContact CG2-CG 4.19Å; V53-H124 HydrophobicContact CG1-CB 4.03Å
54W98.4Very high98.3Very high55 Ų5552.1 Ų52.121%0.20826%0.262CS..Hα-helixtrans-62.6-45.7175.9174.9-106.6000112.4M21 C25 I50 V51 S52 E56 L57 Q58 H124M21-W54 HydrophobicContact CB-CD2 3.83Å; M21-W54 VanDerWaalsContact CB-CE2 3.46Å; M21-W54 HydrophobicContact CB-CE3 4.42Å; M21-W54 HydrophobicContact CB-CG 4.15Å; M21-W54 HydrophobicContact CB-CH2 4.31Å; M21-W54 HydrophobicContact CB-CZ2 3.74Å; M21-W54 HydrophobicContact CE-CB 4.04Å; M21-W54 HydrophobicContact CE-CG 4.07Å; M21-W54 HydrophobicContact CG-CD2 3.98Å; M21-W54 HydrophobicContact CG-CE3 4.14Å; M21-W54 HydrophobicContact CG-CG 4.44Å; M21-W54 HydrophobicContact CG-CH2 4.38Å; M21-W54 HydrophobicContact CG-CZ2 4.28Å; M21-W54 HydrophobicContact CG-CZ3 4.33Å; C25-W54 VanDerWaalsContact SG-CD1 3.5Å; I50-W54 WeakPolarHBondContact O-CB 3.42Å; I50-W54 PolarHBondContact O-N 2.82Å; V51-W54 PolarHBondContact O-N 3.15Å; S52-W54 VanDerWaalsContact C-N 3.34Å; S52-W54 PolarHBondContact O-N 2.88Å; W54-E56 VanDerWaalsContact C-N 3.33Å; W54-E56 PolarHBondContact O-N 3.02Å; W54-L57 HydrophobicContact CE3-CD2 4.14Å; W54-L57 HydrophobicContact CZ3-CD2 4.26Å; W54-L57 WeakPolarHBondContact O-CB 3.17Å; W54-L57 PolarHBondContact O-N 3.35Å; W54-Q58 HydrophobicContact CD2-CG 4.15Å; W54-Q58 HydrophobicContact CZ2-CG 3.99Å; W54-Q58 WeakPolarHBondContact O-CG 3.1Å; W54-Q58 PolarHBondContact O-N 3.24Å; W54-H124 AromaticContact CE3-CE1 3.47Å; W54-H124 VanDerWaalsContact CE3-CE1 3.47Å; W54-H124 AromaticContact CE3-ND1 3.77Å; W54-H124 AromaticContact CE3-NE2 3.61Å; W54-H124 AromaticContact CZ3-NE2 3.78Å
55Q98.3Very high98.3Very high112 Ų11254.2 Ų54.252%0.52328%0.276SS..Hα-helixtrans-62.1-40.9177.8-72.6174.6-9.500111.9V51 S52 Q58 A59V51-Q55 HydrophobicContact CG1-CG 4.42Å; V51-Q55 WeakPolarHBondContact O-CG 3.39Å; V51-Q55 PolarHBondContact O-N 3.35Å; S52-Q55 PolarHBondContact O-N 2.94Å; Q55-Q58 PolarHBondContact O-N 3.42Å; Q55-A59 WeakPolarHBondContact O-CB 3.47Å; Q55-A59 PolarHBondContact O-N 2.87Å
56E98.4Very high98.4Very high75 Ų7555.5 Ų55.535%0.3528%0.276SS..Hα-helixtrans-63.7-44.4174.7-164.8-174.1156.300111.4S52 V53 W54 Q58 A59 V60 R116 L120S52-E56 PolarHBondContact O-N 2.94Å; V53-E56 PolarHBondContact O-N 3.46Å; W54-E56 VanDerWaalsContact C-N 3.33Å; W54-E56 PolarHBondContact O-N 3.02Å; E56-Q58 VanDerWaalsContact C-N 3.34Å; E56-Q58 PolarHBondContact O-N 3.33Å; E56-A59 WeakPolarHBondContact O-CB 3.28Å; E56-A59 PolarHBondContact O-N 3.5Å; E56-V60 WeakPolarHBondContact O-CG2 3.3Å; E56-V60 PolarHBondContact O-N 3.5Å; E56-R116 VanDerWaalsContact CD-NH2 3.32Å; E56-R116 IonicContact OE1-CZ 2.73Å; E56-R116 VanDerWaalsContact OE1-CZ 3.29Å; E56-R116 IonicContact OE1-NE 2.76Å; E56-R116 PolarHBondContact OE1-NE 3.23Å; E56-R116 IonicContact OE1-NH2 2.72Å; E56-R116 PolarHBondContact OE1-NH2 2.8Å; E56-R116 IonicContact OE2-NH2 3.76Å; E56-R116 PolarHBondContact OE2-NH2 3.31Å; E56-L120 HydrophobicContact CB-CD1 4.17Å; E56-L120 HydrophobicContact CB-CD2 4.28Å; E56-L120 HydrophobicContact CG-CD1 3.76Å; E56-L120 HydrophobicContact CG-CD2 4.31Å
57L98.4Very high98.4Very high0 Ų054 Ų540%027%0.268CS..Hα-helixtrans-57.9-46.2176.5-179.959.8000111.3V53 W54 A59 V60 R61 D117 L120 D121 H124V53-L57 WeakPolarHBondContact O-CB 3.44Å; V53-L57 PolarHBondContact O-N 2.94Å; W54-L57 HydrophobicContact CE3-CD2 4.14Å; W54-L57 HydrophobicContact CZ3-CD2 4.26Å; W54-L57 WeakPolarHBondContact O-CB 3.17Å; W54-L57 PolarHBondContact O-N 3.35Å; L57-A59 VanDerWaalsContact C-N 3.35Å; L57-A59 PolarHBondContact O-N 2.84Å; L57-V60 PolarHBondContact O-N 3.1Å; L57-R61 HydrophobicContact CD1-CG 4.45Å; L57-R61 WeakPolarHBondContact O-CB 3.27Å; L57-R61 WeakPolarHBondContact O-CG 3.34Å; L57-R61 PolarHBondContact O-N 2.83Å; L57-D117 VanDerWaalsContact CD1-OD1 3.32Å; L57-D117 WeakPolarHBondContact CD1-OD1 3.48Å; L57-L120 HydrophobicContact CB-CB 4.14Å; L57-L120 HydrophobicContact CD1-CB 3.77Å; L57-L120 HydrophobicContact CG-CB 4.47Å; L57-D121 HydrophobicContact CD1-CB 4.32Å; L57-D121 HydrophobicContact CD2-CB 4.47Å; L57-H124 HydrophobicContact CD2-CB 4.2Å
58Q98.3Very high98.4Very high66 Ų6657.7 Ų57.731%0.30829%0.285SS..Hα-helixtrans-64.8-37.7177.1-67.2-55.4-4400112.5W54 Q55 E56 T62W54-Q58 HydrophobicContact CD2-CG 4.15Å; W54-Q58 HydrophobicContact CZ2-CG 3.99Å; W54-Q58 WeakPolarHBondContact O-CG 3.1Å; W54-Q58 PolarHBondContact O-N 3.24Å; Q55-Q58 PolarHBondContact O-N 3.42Å; E56-Q58 VanDerWaalsContact C-N 3.34Å; E56-Q58 PolarHBondContact O-N 3.33Å; Q58-T62 VanDerWaalsContact O-CB 3.3Å; Q58-T62 WeakPolarHBondContact O-CB 3.42Å; Q58-T62 PolarHBondContact O-N 3.46Å; Q58-T62 PolarHBondContact O-OG1 3.24Å
59A98.4Very high98.3Very high58 Ų5857.2 Ų57.248%0.47929%0.287SS..Hα-helixtrans-64-45.2175.200000111.7Q55 E56 L57 T62 E63Q55-A59 WeakPolarHBondContact O-CB 3.47Å; Q55-A59 PolarHBondContact O-N 2.87Å; E56-A59 WeakPolarHBondContact O-CB 3.28Å; E56-A59 PolarHBondContact O-N 3.5Å; L57-A59 VanDerWaalsContact C-N 3.35Å; L57-A59 PolarHBondContact O-N 2.84Å; A59-T62 WeakPolarHBondContact O-CB 3.43Å; A59-T62 PolarHBondContact O-N 3.4Å; A59-E63 PolarHBondContact O-N 2.91Å
60V98.6Very high98.3Very high11 Ų1155.2 Ų55.27%0.06728%0.279CS..Hα-helixtrans-60.7-48.31761670000110.9E56 L57 T62 E63 I64 L113 R116 D117 L120E56-V60 WeakPolarHBondContact O-CG2 3.3Å; E56-V60 PolarHBondContact O-N 3.5Å; L57-V60 PolarHBondContact O-N 3.1Å; V60-T62 VanDerWaalsContact C-N 3.31Å; V60-T62 PolarHBondContact O-N 3.33Å; V60-E63 WeakPolarHBondContact O-CB 3.31Å; V60-E63 PolarHBondContact O-N 3.25Å; V60-E63 VanDerWaalsContact O-N 3.13Å; V60-I64 HydrophobicContact CG1-CD1 3.9Å; V60-I64 HydrophobicContact CG1-CG1 4.47Å; V60-I64 WeakPolarHBondContact O-CG1 3.37Å; V60-I64 PolarHBondContact O-N 2.78Å; V60-L113 HydrophobicContact CG1-CB 4.4Å; V60-L113 HydrophobicContact CG1-CD2 4.19Å; V60-L113 HydrophobicContact CG2-CD2 4.49Å; V60-R116 HydrophobicContact CG2-CG 4.12Å; V60-D117 HydrophobicContact CG1-CB 3.98Å; V60-L120 HydrophobicContact CB-CD1 4.47Å; V60-L120 HydrophobicContact CG2-CD1 3.88Å
61R98.4Very high98.2Very high73 Ų7359.4 Ų59.428%0.27530%0.297SS..Hα-helixtrans-61.6-38.8177.4-73.5178.6173.5171.40.9112.8L57 I64 S65 D117 D121L57-R61 HydrophobicContact CD1-CG 4.45Å; L57-R61 WeakPolarHBondContact O-CB 3.27Å; L57-R61 WeakPolarHBondContact O-CG 3.34Å; L57-R61 PolarHBondContact O-N 2.83Å; R61-I64 PolarHBondContact O-N 3.29Å; R61-S65 PolarHBondContact O-N 2.87Å; R61-D117 WeakPolarHBondContact CG-OD1 3.39Å; R61-D117 IonicContact CZ-OD1 3.31Å; R61-D117 IonicContact NE-OD1 3.97Å; R61-D117 PolarHBondContact NE-OD1 3.03Å; R61-D117 IonicContact NH2-OD1 3Å; R61-D117 IonicContact NH2-OD2 2.69Å; R61-D121 IonicContact CZ-OD1 3.33Å; R61-D121 IonicContact NH2-OD1 3.29Å; R61-D121 PolarHBondContact NH2-OD1 3.16Å
62T98.5Very high98.1Very high68 Ų6864.3 Ų64.342%0.41732%0.322SS..Hα-helixtrans-63.6-42.1174.5-630000111.3Q58 A59 V60 S65 K66Q58-T62 VanDerWaalsContact O-CB 3.3Å; Q58-T62 WeakPolarHBondContact O-CB 3.42Å; Q58-T62 PolarHBondContact O-N 3.46Å; Q58-T62 PolarHBondContact O-OG1 3.24Å; A59-T62 WeakPolarHBondContact O-CB 3.43Å; A59-T62 PolarHBondContact O-N 3.4Å; V60-T62 VanDerWaalsContact C-N 3.31Å; V60-T62 PolarHBondContact O-N 3.33Å; T62-S65 PolarHBondContact O-N 2.65Å; T62-K66 HydrophobicContact CG2-CD 4.41Å; T62-K66 WeakPolarHBondContact O-CG 3.15Å; T62-K66 PolarHBondContact O-N 3.29Å; T62-K66 VanDerWaalsContact O-N 3.12Å
63E98.4Very high98Very high65 Ų6569.5 Ų69.530%0.30433%0.332SS..Hα-helixtrans-65-45.2176.1-166.3-176.9159.700111.5A59 V60 S65 K66 L67 R109 L113A59-E63 PolarHBondContact O-N 2.91Å; V60-E63 WeakPolarHBondContact O-CB 3.31Å; V60-E63 PolarHBondContact O-N 3.25Å; V60-E63 VanDerWaalsContact O-N 3.13Å; E63-S65 PolarHBondContact O-N 3.3Å; E63-K66 PolarHBondContact O-N 3.15Å; E63-L67 HydrophobicContact CG-CD1 4.08Å; E63-L67 HydrophobicContact CG-CG 4.5Å; E63-L67 WeakPolarHBondContact O-CB 3.45Å; E63-L67 WeakPolarHBondContact O-CG 3.22Å; E63-L67 PolarHBondContact O-N 2.91Å; E63-R109 IonicContact OE1-CZ 2.76Å; E63-R109 VanDerWaalsContact OE1-CZ 3.31Å; E63-R109 IonicContact OE1-NE 3.9Å; E63-R109 PolarHBondContact OE1-NE 3.42Å; E63-R109 IonicContact OE1-NH2 2.65Å; E63-R109 PolarHBondContact OE1-NH2 3.33Å; E63-R109 IonicContact OE2-CZ 3.15Å; E63-R109 IonicContact OE2-NH2 3.13Å; E63-R109 PolarHBondContact OE2-NH2 3.38Å; E63-L113 HydrophobicContact CB-CD1 4.09Å; E63-L113 HydrophobicContact CG-CD1 3.75Å
64I98.6Very high97.9Very high15 Ų1569.9 Ų69.98%0.07733%0.333CS..Hα-helixtrans-54.2-52.4174.2-70.7169.3000110.2V60 R61 K66 L67 E68 L110 L113 Y114 D117V60-I64 HydrophobicContact CG1-CD1 3.9Å; V60-I64 HydrophobicContact CG1-CG1 4.47Å; V60-I64 WeakPolarHBondContact O-CG1 3.37Å; V60-I64 PolarHBondContact O-N 2.78Å; R61-I64 PolarHBondContact O-N 3.29Å; I64-K66 VanDerWaalsContact C-N 3.29Å; I64-K66 PolarHBondContact O-N 2.97Å; I64-L67 PolarHBondContact O-N 3.2Å; I64-L67 VanDerWaalsContact O-N 3.12Å; I64-E68 HydrophobicContact CG2-CG 4.26Å; I64-E68 WeakPolarHBondContact O-CG 3.35Å; I64-E68 PolarHBondContact O-N 2.86Å; I64-L110 HydrophobicContact CB-CD2 4.44Å; I64-L110 HydrophobicContact CG2-CD2 4.11Å; I64-L113 HydrophobicContact CD1-CB 3.96Å; I64-L113 HydrophobicContact CG1-CB 3.59Å; I64-L113 HydrophobicContact CG1-CD1 4.02Å; I64-L113 HydrophobicContact CG1-CG 4.42Å; I64-Y114 HydrophobicContact CD1-CD1 3.96Å; I64-Y114 HydrophobicContact CD1-CE1 4.29Å; I64-Y114 HydrophobicContact CG2-CD1 4.37Å; I64-Y114 HydrophobicContact CG2-CE1 3.63Å; I64-D117 HydrophobicContact CD1-CB 3.99Å
65S98.3Very high97.7Very high49 Ų4970 Ų7034%0.34334%0.342SS..Hα-helixtrans-59-39.4-179.3-172.70000112.6R61 T62 E63 K69R61-S65 PolarHBondContact O-N 2.87Å; T62-S65 PolarHBondContact O-N 2.65Å; E63-S65 PolarHBondContact O-N 3.3Å; S65-K69 WeakPolarHBondContact O-CG 3.32Å; S65-K69 PolarHBondContact O-N 2.88Å
66K98.3Very high97.6Very high141 Ų14170.3 Ų70.361%0.61334%0.344SS*.Hα-helixtrans-64.4-46.6175.6-73.4172.6-177.1174.90111.4T62 E63 I64 K69 E70T62-K66 HydrophobicContact CG2-CD 4.41Å; T62-K66 WeakPolarHBondContact O-CG 3.15Å; T62-K66 PolarHBondContact O-N 3.29Å; T62-K66 VanDerWaalsContact O-N 3.12Å; E63-K66 PolarHBondContact O-N 3.15Å; I64-K66 VanDerWaalsContact C-N 3.29Å; I64-K66 PolarHBondContact O-N 2.97Å; K66-K69 PolarHBondContact O-N 2.82Å; K66-E70 WeakPolarHBondContact O-CB 3.4Å; K66-E70 PolarHBondContact O-N 2.92Å
67L98.3Very high97.3Very high21 Ų2169.4 Ų69.411%0.1134%0.343CS..Hα-helixtrans-69.1-33.4-179.1-73173.8000112.7E63 I64 E70 K71 V106 R109 L110 L113E63-L67 HydrophobicContact CG-CD1 4.08Å; E63-L67 HydrophobicContact CG-CG 4.5Å; E63-L67 WeakPolarHBondContact O-CB 3.45Å; E63-L67 WeakPolarHBondContact O-CG 3.22Å; E63-L67 PolarHBondContact O-N 2.91Å; I64-L67 PolarHBondContact O-N 3.2Å; I64-L67 VanDerWaalsContact O-N 3.12Å; L67-E70 PolarHBondContact O-N 3.14Å; L67-K71 VanDerWaalsContact O-CB 3.29Å; L67-K71 WeakPolarHBondContact O-CB 3.41Å; L67-K71 PolarHBondContact O-N 3.01Å; L67-V106 HydrophobicContact CB-CG1 4.21Å; L67-V106 HydrophobicContact CD2-CG1 4.24Å; L67-V106 HydrophobicContact CD2-CG2 4.13Å; L67-V106 WeakPolarHBondContact O-CG1 3.35Å; L67-R109 HydrophobicContact CD1-CB 4.12Å; L67-R109 HydrophobicContact CD1-CG 3.5Å; L67-R109 VanDerWaalsContact CD1-CG 3.5Å; L67-L110 HydrophobicContact CB-CD1 4.39Å; L67-L110 HydrophobicContact CB-CD2 3.69Å; L67-L110 HydrophobicContact CB-CG 3.93Å; L67-L110 HydrophobicContact CD1-CD2 4.33Å; L67-L110 HydrophobicContact CD1-CG 4.41Å; L67-L113 HydrophobicContact CD1-CD1 3.53Å
68E97.8Very high97Very high78 Ų7870.8 Ų70.836%0.36435%0.352SS..Hα-helixtrans-65.3-44172.9-75.1-177.7165.700111.8I64 E70 K71 L72 L110 Y114I64-E68 HydrophobicContact CG2-CG 4.26Å; I64-E68 WeakPolarHBondContact O-CG 3.35Å; I64-E68 PolarHBondContact O-N 2.86Å; E68-E70 VanDerWaalsContact C-N 3.31Å; E68-E70 PolarHBondContact O-N 3.47Å; E68-K71 WeakPolarHBondContact O-CB 3.31Å; E68-K71 PolarHBondContact O-N 3.08Å; E68-L72 WeakPolarHBondContact O-CG 3.07Å; E68-L72 PolarHBondContact O-N 2.93Å; E68-L110 HydrophobicContact CG-CD1 4.43Å; E68-L110 HydrophobicContact CG-CD2 4.08Å; E68-Y114 PolarHBondContact OE1-OH 3.15Å
69K97.8Very high96.8Very high127 Ų12775.3 Ų75.355%0.55237%0.366SS*.Hα-helixtrans-61.1-41172.9-72.7171.4-177.2171.50111.5S65 K66 L72 R73S65-K69 WeakPolarHBondContact O-CG 3.32Å; S65-K69 PolarHBondContact O-N 2.88Å; K66-K69 PolarHBondContact O-N 2.82Å; K69-L72 PolarHBondContact O-N 2.89Å; K69-R73 WeakPolarHBondContact O-CG 3.24Å; K69-R73 PolarHBondContact O-N 2.74Å; K69-R73 VanDerWaalsContact O-N 3.12Å
70E97.1Very high96.5Very high57 Ų5775.7 Ų75.727%0.26636%0.362SS..Hα-helixtrans-66.1-42.7176.5-179.7163.6-144.400112.5K66 L67 E68 L72 R73 I74 K102 V106K66-E70 WeakPolarHBondContact O-CB 3.4Å; K66-E70 PolarHBondContact O-N 2.92Å; L67-E70 PolarHBondContact O-N 3.14Å; E68-E70 VanDerWaalsContact C-N 3.31Å; E68-E70 PolarHBondContact O-N 3.47Å; E70-L72 VanDerWaalsContact C-N 3.29Å; E70-L72 PolarHBondContact O-N 3.04Å; E70-R73 PolarHBondContact O-N 2.96Å; E70-I74 HydrophobicContact CG-CD1 3.83Å; E70-I74 HydrophobicContact CG-CG1 4.38Å; E70-I74 VanDerWaalsContact O-CG1 3.31Å; E70-I74 WeakPolarHBondContact O-CG1 3.42Å; E70-I74 PolarHBondContact O-N 2.83Å; E70-K102 WeakPolarHBondContact OE1-CE 3.49Å; E70-K102 IonicContact OE1-NZ 3.65Å; E70-K102 PolarHBondContact OE1-NZ 3.03Å; E70-V106 HydrophobicContact CG-CG2 4.26Å
71K96.8Very high96.1Very high90 Ų9075.7 Ų75.739%0.39136%0.362SS..Hα-helixtrans-57.2-41.4174177.1-174.7168.1-169.60111.7L67 E68 S75 V106 L110L67-K71 VanDerWaalsContact O-CB 3.29Å; L67-K71 WeakPolarHBondContact O-CB 3.41Å; L67-K71 PolarHBondContact O-N 3.01Å; E68-K71 WeakPolarHBondContact O-CB 3.31Å; E68-K71 PolarHBondContact O-N 3.08Å; K71-S75 WeakPolarHBondContact O-CB 3.5Å; K71-S75 PolarHBondContact O-N 3.3Å; K71-S75 PolarHBondContact O-OG 2.88Å; K71-V106 HydrophobicContact CB-CG1 3.93Å; K71-L110 HydrophobicContact CD-CD1 3.99Å
72L96.8Very high95.8Very high112 Ų11275.7 Ų75.759%0.58637%0.37SS*.Hα-helixtrans-63.3-49175.4-71.5172.7000111.3E68 K69 E70 I74 S75 E76E68-L72 WeakPolarHBondContact O-CG 3.07Å; E68-L72 PolarHBondContact O-N 2.93Å; K69-L72 PolarHBondContact O-N 2.89Å; E70-L72 VanDerWaalsContact C-N 3.29Å; E70-L72 PolarHBondContact O-N 3.04Å; L72-I74 PolarHBondContact O-N 2.91Å; L72-S75 WeakPolarHBondContact O-CB 3.22Å; L72-S75 PolarHBondContact O-N 3.05Å; L72-S75 VanDerWaalsContact O-N 3.1Å; L72-E76 WeakPolarHBondContact O-CG 3.25Å; L72-E76 PolarHBondContact O-N 2.97Å
73R96.6Very high95.4Very high176 Ų17680.8 Ų80.866%0.66439%0.386SS*.Hα-helixtrans-57.6-46.6176.5-70.3175.4-178.5172.4-0.2112.3K69 E70 S75 E76 T77K69-R73 WeakPolarHBondContact O-CG 3.24Å; K69-R73 PolarHBondContact O-N 2.74Å; K69-R73 VanDerWaalsContact O-N 3.12Å; E70-R73 PolarHBondContact O-N 2.96Å; R73-S75 VanDerWaalsContact C-N 3.28Å; R73-S75 PolarHBondContact O-N 3.33Å; R73-E76 PolarHBondContact O-N 2.72Å; R73-T77 PolarHBondContact O-N 3.36Å; R73-T77 PolarHBondContact O-OG1 3.26Å; R73-T77 VanDerWaalsContact O-OG1 3.14Å
74I95.4Very high94.9Very high18 Ų1884 Ų849%0.09240%0.402CS..Hα-helixtrans-59.8-42.5176.6-68.1166.1000110.5E70 L72 E76 T77 V78 A99 K102 V106E70-I74 HydrophobicContact CG-CD1 3.83Å; E70-I74 HydrophobicContact CG-CG1 4.38Å; E70-I74 VanDerWaalsContact O-CG1 3.31Å; E70-I74 WeakPolarHBondContact O-CG1 3.42Å; E70-I74 PolarHBondContact O-N 2.83Å; L72-I74 PolarHBondContact O-N 2.91Å; I74-E76 VanDerWaalsContact C-N 3.31Å; I74-E76 PolarHBondContact O-N 3.43Å; I74-T77 PolarHBondContact O-N 2.91Å; I74-V78 HydrophobicContact CG2-CG2 4.34Å; I74-V78 WeakPolarHBondContact O-CB 3.42Å; I74-V78 VanDerWaalsContact O-CG2 3.3Å; I74-V78 WeakPolarHBondContact O-CG2 3.37Å; I74-V78 PolarHBondContact O-N 3.14Å; I74-A99 HydrophobicContact CG2-CB 4.44Å; I74-A99 VanDerWaalsContact CG2-O 3.27Å; I74-A99 WeakPolarHBondContact CG2-O 3.3Å; I74-K102 HydrophobicContact CD1-CB 4.17Å; I74-K102 HydrophobicContact CD1-CD 3.97Å; I74-K102 HydrophobicContact CD1-CG 3.78Å; I74-V106 HydrophobicContact CD1-CG2 4.08Å
75S94.8Very high94.4Very high58 Ų5888.2 Ų88.241%0.40642%0.419SS..Hα-helixtrans-63.3-37.5178.8-59.30000112.1K71 L72 R73 R79K71-S75 WeakPolarHBondContact O-CB 3.5Å; K71-S75 PolarHBondContact O-N 3.3Å; K71-S75 PolarHBondContact O-OG 2.88Å; L72-S75 WeakPolarHBondContact O-CB 3.22Å; L72-S75 PolarHBondContact O-N 3.05Å; L72-S75 VanDerWaalsContact O-N 3.1Å; R73-S75 VanDerWaalsContact C-N 3.28Å; R73-S75 PolarHBondContact O-N 3.33Å; S75-R79 VanDerWaalsContact O-CB 3.26Å; S75-R79 WeakPolarHBondContact O-CB 3.46Å; S75-R79 PolarHBondContact O-N 2.95Å
76E95.3Very high93.7Very high118 Ų11892 Ų9255%0.55144%0.436SS*.Hα-helixtrans-68.8-43.9174.6-71.3174.2170.300112.4L72 R73 I74 R79 T80L72-E76 WeakPolarHBondContact O-CG 3.25Å; L72-E76 PolarHBondContact O-N 2.97Å; R73-E76 PolarHBondContact O-N 2.72Å; I74-E76 VanDerWaalsContact C-N 3.31Å; I74-E76 PolarHBondContact O-N 3.43Å; E76-R79 PolarHBondContact O-N 3.33Å; E76-T80 WeakPolarHBondContact O-CB 3.18Å; E76-T80 PolarHBondContact O-N 2.68Å; E76-T80 PolarHBondContact O-OG1 3.03Å
77T92.5Very high92.6Very high56 Ų5694 Ų9434%0.34444%0.444SS..Hα-helixtrans-57.8-51.5174.2-59.70000110.6R73 I74 R79 T80 L81R73-T77 PolarHBondContact O-N 3.36Å; R73-T77 PolarHBondContact O-OG1 3.26Å; R73-T77 VanDerWaalsContact O-OG1 3.14Å; I74-T77 PolarHBondContact O-N 2.91Å; T77-R79 VanDerWaalsContact C-N 3.34Å; T77-R79 PolarHBondContact O-N 2.94Å; T77-T80 PolarHBondContact O-N 3.3Å; T77-T80 VanDerWaalsContact O-N 3.15Å; T77-L81 HydrophobicContact CG2-CD1 3.99Å; T77-L81 HydrophobicContact CG2-CG 4.44Å; T77-L81 WeakPolarHBondContact O-CG 3.29Å; T77-L81 PolarHBondContact O-N 3.16Å
78V92.5Very high91.6Very high29 Ų2999.5 Ų99.518%0.17647%0.474CS..Hα-helixtrans-58.9-45.5178.1170.30000110.9I74 T80 L81 V82 Y96 A99 L100I74-V78 HydrophobicContact CG2-CG2 4.34Å; I74-V78 WeakPolarHBondContact O-CB 3.42Å; I74-V78 VanDerWaalsContact O-CG2 3.3Å; I74-V78 WeakPolarHBondContact O-CG2 3.37Å; I74-V78 PolarHBondContact O-N 3.14Å; V78-T80 VanDerWaalsContact C-N 3.29Å; V78-T80 PolarHBondContact O-N 3.5Å; V78-L81 PolarHBondContact O-N 3.28Å; V78-V82 HydrophobicContact CG1-CG2 4.37Å; V78-V82 WeakPolarHBondContact O-CB 3.31Å; V78-V82 WeakPolarHBondContact O-CG2 3.44Å; V78-V82 PolarHBondContact O-N 3.06Å; V78-Y96 HydrophobicContact CG1-CE2 4.05Å; V78-A99 HydrophobicContact CG2-CB 3.83Å; V78-L100 HydrophobicContact CG1-CD2 4.44Å; V78-L100 HydrophobicContact CG2-CD2 4.36Å
79R93.4Very high90.6Very high161 Ų16199.6 Ų99.661%0.60848%0.48SS*.Hα-helixtrans-60.8-39.4177.6-174.1-174.5-64179.7-0.7112S75 E76 T77 K83S75-R79 VanDerWaalsContact O-CB 3.26Å; S75-R79 WeakPolarHBondContact O-CB 3.46Å; S75-R79 PolarHBondContact O-N 2.95Å; E76-R79 PolarHBondContact O-N 3.33Å; T77-R79 VanDerWaalsContact C-N 3.34Å; T77-R79 PolarHBondContact O-N 2.94Å; R79-K83 WeakPolarHBondContact O-CG 3.44Å; R79-K83 PolarHBondContact O-N 2.89Å; R79-K83 VanDerWaalsContact O-N 3.15Å
80T92.8Very high89.8Confident66 Ų6694 Ų9441%0.40546%0.456SS..Hα-helixtrans-67.9-48.2179.7-58.90000111E76 T77 V78 V82 K83 Q84E76-T80 WeakPolarHBondContact O-CB 3.18Å; E76-T80 PolarHBondContact O-N 2.68Å; E76-T80 PolarHBondContact O-OG1 3.03Å; T77-T80 PolarHBondContact O-N 3.3Å; T77-T80 VanDerWaalsContact O-N 3.15Å; V78-T80 VanDerWaalsContact C-N 3.29Å; V78-T80 PolarHBondContact O-N 3.5Å; T80-V82 VanDerWaalsContact C-N 3.32Å; T80-V82 PolarHBondContact O-N 3.47Å; T80-K83 PolarHBondContact O-N 3.44Å; T80-K83 VanDerWaalsContact O-N 3.12Å; T80-Q84 HydrophobicContact CG2-CG 4.44Å; T80-Q84 WeakPolarHBondContact O-CG 3.49Å; T80-Q84 PolarHBondContact O-N 3.38Å; T80-Q84 VanDerWaalsContact O-N 3.07Å
81L90.6Very high88.8Confident11 Ų1194.3 Ų94.36%0.05847%0.468CS..Hα-helixtrans-58.1-45.7176.6-68.8173.7000111.1T77 V78 K83 Q84 K85 L90 L93 E95 Y96T77-L81 HydrophobicContact CG2-CD1 3.99Å; T77-L81 HydrophobicContact CG2-CG 4.44Å; T77-L81 WeakPolarHBondContact O-CG 3.29Å; T77-L81 PolarHBondContact O-N 3.16Å; V78-L81 PolarHBondContact O-N 3.28Å; L81-K83 VanDerWaalsContact C-N 3.26Å; L81-K83 PolarHBondContact O-N 3.38Å; L81-Q84 PolarHBondContact O-N 3.33Å; L81-Q84 VanDerWaalsContact O-N 3.15Å; L81-K85 PolarHBondContact O-N 2.94Å; L81-K85 VanDerWaalsContact O-N 3.11Å; L81-L90 HydrophobicContact CB-CD2 3.87Å; L81-L93 HydrophobicContact CD1-CD2 4.45Å; L81-L93 HydrophobicContact CD2-CD2 3.84Å; L81-E95 HydrophobicContact CD1-CG 4.18Å; L81-Y96 HydrophobicContact CB-CD2 4.36Å; L81-Y96 HydrophobicContact CD1-CD2 4.31Å
82V90.9Very high88.1Confident74 Ų7496.5 Ų96.545%0.44848%0.484SS..Hα-helixtrans-62.4-30.9178.2171.90000112.8V78 T80 L90 Y96V78-V82 HydrophobicContact CG1-CG2 4.37Å; V78-V82 WeakPolarHBondContact O-CB 3.31Å; V78-V82 WeakPolarHBondContact O-CG2 3.44Å; V78-V82 PolarHBondContact O-N 3.06Å; T80-V82 VanDerWaalsContact C-N 3.32Å; T80-V82 PolarHBondContact O-N 3.47Å; V82-L90 HydrophobicContact CG2-CD1 4.23Å; V82-Y96 HydrophobicContact CG2-CE2 3.84Å
83K91Very high87.7Confident174 Ų17493.3 Ų93.376%0.75747%0.467SS*.Hα-helixtrans-77.9-29.3175.8-77.4-178.2176.7-172.30113.5R79 T80 L81R79-K83 WeakPolarHBondContact O-CG 3.44Å; R79-K83 PolarHBondContact O-N 2.89Å; R79-K83 VanDerWaalsContact O-N 3.15Å; T80-K83 PolarHBondContact O-N 3.44Å; T80-K83 VanDerWaalsContact O-N 3.12Å; L81-K83 VanDerWaalsContact C-N 3.26Å; L81-K83 PolarHBondContact O-N 3.38Å
84Q88.5Confident87.3Confident133 Ų13389 Ų8962%0.62146%0.462SS*.Hα-helixtrans-96-16-170.6-72.1179.5-6.200114.1T80 L81T80-Q84 HydrophobicContact CG2-CG 4.44Å; T80-Q84 WeakPolarHBondContact O-CG 3.49Å; T80-Q84 PolarHBondContact O-N 3.38Å; T80-Q84 VanDerWaalsContact O-N 3.07Å; L81-Q84 PolarHBondContact O-N 3.33Å; L81-Q84 VanDerWaalsContact O-N 3.15Å
85K86.2Confident86.9Confident104 Ų10493.2 Ų93.245%0.45248%0.481SS..SBendtrans-134.3145.5-170.1-58.8-66.8-179.9-1780111L81 L90L81-K85 PolarHBondContact O-N 2.94Å; L81-K85 VanDerWaalsContact O-N 3.11Å; K85-L90 HydrophobicContact CB-CD1 4.39Å; K85-L90 HydrophobicContact CB-CD2 3.93Å; K85-L90 HydrophobicContact CB-CG 3.8Å; K85-L90 WeakPolarHBondContact O-CD1 3.43Å
86D83.8Confident86.7Confident129 Ų12992.7 Ų92.769%0.6947%0.471SS*.  trans-69.4154.5172.2-69.6-41000111.8D88 V89 L90D86-D88 VanDerWaalsContact C-N 3.3Å; D86-D88 PolarHBondContact O-N 3.13Å; D86-V89 PolarHBondContact O-N 3.12Å; D86-V89 VanDerWaalsContact O-N 3.09Å; D86-L90 WeakPolarHBondContact O-CG 3.06Å; D86-L90 PolarHBondContact O-N 3.3Å
87K76.7Confident86.4Confident181 Ų18190.7 Ų90.779%0.78747%0.467SS*.Hα-helixtrans-56.3-39.1-174.8-76.1-176.7176.51780113.8V89 L90 A91K87-V89 VanDerWaalsContact C-N 3.27Å; K87-V89 PolarHBondContact O-N 2.92Å; K87-L90 PolarHBondContact O-N 3.11Å; K87-A91 PolarHBondContact O-N 3.39Å
88D76Confident86.3Confident138 Ų13894.5 Ų94.574%0.73848%0.481SS*.Hα-helixtrans-71.2-25.7-177.6-59-32.2000112.4D86 N92D86-D88 VanDerWaalsContact C-N 3.3Å; D86-D88 PolarHBondContact O-N 3.13Å; D88-N92 PolarHBondContact O-ND2 3.06Å; D88-N92 VanDerWaalsContact O-ND2 3.15Å
89V77.1Confident86.3Confident80 Ų8093.8 Ų93.849%0.48548%0.478SS..Hα-helixtrans-83.6-36.7176.1-177.30000110.8D86 K87 N92 L93D86-V89 PolarHBondContact O-N 3.12Å; D86-V89 VanDerWaalsContact O-N 3.09Å; K87-V89 VanDerWaalsContact C-N 3.27Å; K87-V89 PolarHBondContact O-N 2.92Å; V89-N92 PolarHBondContact O-N 3.06Å; V89-L93 PolarHBondContact O-N 2.84Å; V89-L93 VanDerWaalsContact O-N 3.17Å
90L81.3Confident86.3Confident8 Ų889.3 Ų89.34%0.04247%0.466CS..Hα-helixtrans-61.3-45.1179.7-78.5163.1000113L81 V82 K85 D86 K87 N92 L93 Y96L81-L90 HydrophobicContact CB-CD2 3.87Å; V82-L90 HydrophobicContact CG2-CD1 4.23Å; K85-L90 HydrophobicContact CB-CD1 4.39Å; K85-L90 HydrophobicContact CB-CD2 3.93Å; K85-L90 HydrophobicContact CB-CG 3.8Å; K85-L90 WeakPolarHBondContact O-CD1 3.43Å; D86-L90 WeakPolarHBondContact O-CG 3.06Å; D86-L90 PolarHBondContact O-N 3.3Å; K87-L90 PolarHBondContact O-N 3.11Å; L90-N92 PolarHBondContact O-N 3.1Å; L90-N92 VanDerWaalsContact O-N 3.17Å; L90-L93 WeakPolarHBondContact O-CB 3.48Å; L90-L93 PolarHBondContact O-N 2.94Å; L90-Y96 HydrophobicContact CB-CD1 4.25Å; L90-Y96 HydrophobicContact CB-CE1 4.38Å; L90-Y96 HydrophobicContact CB-CG 4.4Å; L90-Y96 HydrophobicContact CD2-CD2 3.81Å; L90-Y96 HydrophobicContact CD2-CE2 4.24Å; L90-Y96 HydrophobicContact CD2-CG 4.06Å; L90-Y96 WeakPolarHBondContact O-CB 3.31Å; L90-Y96 WeakPolarHBondContact O-CD1 3.43Å
91A76.9Confident86.3Confident64 Ų6490.5 Ų90.553%0.52947%0.466SS..THydrogen-bonded Turntrans-60.9-26.2-178.500000113.1K87K87-A91 PolarHBondContact O-N 3.39Å
92N82.1Confident86.5Confident137 Ų13794.9 Ų94.973%0.73349%0.485SS*.THydrogen-bonded Turntrans-100.6-1.8179.3-64.6-51000113.1D88 V89 L90 P94D88-N92 PolarHBondContact O-ND2 3.06Å; D88-N92 VanDerWaalsContact O-ND2 3.15Å; V89-N92 PolarHBondContact O-N 3.06Å; L90-N92 PolarHBondContact O-N 3.1Å; L90-N92 VanDerWaalsContact O-N 3.17Å; N92-P94 WeakPolarHBondContact O-CD 3.49Å
93L86.8Confident86.8Confident44 Ų4492.1 Ų92.123%0.2347%0.472CS..  trans-80118.1178.8-167.571.9000109.5L81 V89 L90 E95 Y96 T97L81-L93 HydrophobicContact CD1-CD2 4.45Å; L81-L93 HydrophobicContact CD2-CD2 3.84Å; V89-L93 PolarHBondContact O-N 2.84Å; V89-L93 VanDerWaalsContact O-N 3.17Å; L90-L93 WeakPolarHBondContact O-CB 3.48Å; L90-L93 PolarHBondContact O-N 2.94Å; L93-E95 HydrophobicContact CD2-CB 4.2Å; L93-E95 HydrophobicContact CG-CB 4.19Å; L93-E95 PolarHBondContact O-N 3.32Å; L93-Y96 PolarHBondContact O-N 2.79Å; L93-Y96 VanDerWaalsContact O-N 3.12Å; L93-T97 PolarHBondContact O-N 3.07Å; L93-T97 VanDerWaalsContact O-N 3.15Å; L93-T97 PolarHBondContact O-OG1 3.3Å
94P88.3Confident87.1Confident85 Ų8591 Ų9155%0.55246%0.463SS*.Hα-helixtrans-58.4-38.2-179.3-2635.6000112.5N92 Y96 T97 Q98N92-P94 WeakPolarHBondContact O-CD 3.49Å; P94-Y96 PolarHBondContact O-N 2.89Å; P94-T97 PolarHBondContact O-N 3.37Å; P94-Q98 VanDerWaalsContact O-CB 3.27Å; P94-Q98 WeakPolarHBondContact O-CB 3.48Å; P94-Q98 VanDerWaalsContact O-CG 3.23Å; P94-Q98 WeakPolarHBondContact O-CG 3.49Å; P94-Q98 PolarHBondContact O-N 3.22Å
95E88.4Confident87.5Confident107 Ų10788.4 Ų88.450%0.545%0.453SS..Hα-helixtrans-60.9-41.7177.8-170.5-176.9-177.600112.3L81 L93 A99L81-E95 HydrophobicContact CD1-CG 4.18Å; L93-E95 HydrophobicContact CD2-CB 4.2Å; L93-E95 HydrophobicContact CG-CB 4.19Å; L93-E95 PolarHBondContact O-N 3.32Å; E95-A99 VanDerWaalsContact O-CB 3.26Å; E95-A99 WeakPolarHBondContact O-CB 3.33Å; E95-A99 PolarHBondContact O-N 3.23Å
96Y88.9Confident88Confident48 Ų4883.8 Ų83.819%0.18843%0.434CS..Hα-helixtrans-67-46.6177.7180-106000111.4V78 L81 V82 L90 L93 P94 A99 L100V78-Y96 HydrophobicContact CG1-CE2 4.05Å; L81-Y96 HydrophobicContact CB-CD2 4.36Å; L81-Y96 HydrophobicContact CD1-CD2 4.31Å; V82-Y96 HydrophobicContact CG2-CE2 3.84Å; L90-Y96 HydrophobicContact CB-CD1 4.25Å; L90-Y96 HydrophobicContact CB-CE1 4.38Å; L90-Y96 HydrophobicContact CB-CG 4.4Å; L90-Y96 HydrophobicContact CD2-CD2 3.81Å; L90-Y96 HydrophobicContact CD2-CE2 4.24Å; L90-Y96 HydrophobicContact CD2-CG 4.06Å; L90-Y96 WeakPolarHBondContact O-CB 3.31Å; L90-Y96 WeakPolarHBondContact O-CD1 3.43Å; L93-Y96 PolarHBondContact O-N 2.79Å; L93-Y96 VanDerWaalsContact O-N 3.12Å; P94-Y96 PolarHBondContact O-N 2.89Å; Y96-A99 PolarHBondContact O-N 2.8Å; Y96-L100 HydrophobicContact CD1-CD1 4.03Å; Y96-L100 HydrophobicContact CE1-CD1 3.45Å; Y96-L100 VanDerWaalsContact CE1-CD1 3.45Å; Y96-L100 HydrophobicContact CE1-CG 4.24Å; Y96-L100 HydrophobicContact CE2-CD1 4.46Å; Y96-L100 HydrophobicContact CE2-CG 4.5Å; Y96-L100 WeakPolarHBondContact O-CG 3.35Å; Y96-L100 PolarHBondContact O-N 3.19Å
97T88.9Confident88.7Confident76 Ų7684.4 Ų84.447%0.46643%0.426SS..Hα-helixtrans-65.4-41.6179.6-56.80000111.6L93 P94 L100 Q101L93-T97 PolarHBondContact O-N 3.07Å; L93-T97 VanDerWaalsContact O-N 3.15Å; L93-T97 PolarHBondContact O-OG1 3.3Å; P94-T97 PolarHBondContact O-N 3.37Å; T97-L100 PolarHBondContact O-N 2.62Å; T97-Q101 PolarHBondContact O-N 2.83Å
98Q92.3Very high89.7Confident136 Ų13680.1 Ų80.164%0.63641%0.412SS*.Hα-helixtrans-63.2-43.5174.3-7617710.200111.8P94 L100 Q101 K102P94-Q98 VanDerWaalsContact O-CB 3.27Å; P94-Q98 WeakPolarHBondContact O-CB 3.48Å; P94-Q98 VanDerWaalsContact O-CG 3.23Å; P94-Q98 WeakPolarHBondContact O-CG 3.49Å; P94-Q98 PolarHBondContact O-N 3.22Å; Q98-L100 VanDerWaalsContact C-N 3.34Å; Q98-L100 PolarHBondContact O-N 2.9Å; Q98-Q101 PolarHBondContact O-N 3.33Å; Q98-K102 VanDerWaalsContact O-CB 3.23Å; Q98-K102 WeakPolarHBondContact O-CB 3.34Å; Q98-K102 PolarHBondContact O-N 2.7Å
99A91.9Very high90.7Very high13 Ų1378.3 Ų78.311%0.10740%0.395CS..Hα-helixtrans-62.6-40.4177.200000112I74 V78 E95 Y96 G103I74-A99 HydrophobicContact CG2-CB 4.44Å; I74-A99 VanDerWaalsContact CG2-O 3.27Å; I74-A99 WeakPolarHBondContact CG2-O 3.3Å; V78-A99 HydrophobicContact CG2-CB 3.83Å; E95-A99 VanDerWaalsContact O-CB 3.26Å; E95-A99 WeakPolarHBondContact O-CB 3.33Å; E95-A99 PolarHBondContact O-N 3.23Å; Y96-A99 PolarHBondContact O-N 2.8Å; A99-G103 PolarHBondContact O-N 3.1Å
100L92.3Very high91.7Very high68 Ų6874.6 Ų74.636%0.35637%0.372SS..Hα-helixtrans-64.7-45.4174.8-72.4-177.6000112.4V78 Y96 T97 Q98 G103 R104V78-L100 HydrophobicContact CG1-CD2 4.44Å; V78-L100 HydrophobicContact CG2-CD2 4.36Å; Y96-L100 HydrophobicContact CD1-CD1 4.03Å; Y96-L100 HydrophobicContact CE1-CD1 3.45Å; Y96-L100 VanDerWaalsContact CE1-CD1 3.45Å; Y96-L100 HydrophobicContact CE1-CG 4.24Å; Y96-L100 HydrophobicContact CE2-CD1 4.46Å; Y96-L100 HydrophobicContact CE2-CG 4.5Å; Y96-L100 WeakPolarHBondContact O-CG 3.35Å; Y96-L100 PolarHBondContact O-N 3.19Å; T97-L100 PolarHBondContact O-N 2.62Å; Q98-L100 VanDerWaalsContact C-N 3.34Å; Q98-L100 PolarHBondContact O-N 2.9Å; L100-G103 PolarHBondContact O-N 3.39Å; L100-R104 WeakPolarHBondContact O-CG 3.31Å; L100-R104 PolarHBondContact O-N 3.2Å
101Q94.4Very high92.5Very high90 Ų9078.4 Ų78.442%0.42139%0.392SS..Hα-helixtrans-62.8-49.7178.3-177.355.243.400110.8T97 Q98 G103 R104 D105T97-Q101 PolarHBondContact O-N 2.83Å; Q98-Q101 PolarHBondContact O-N 3.33Å; Q101-G103 VanDerWaalsContact C-N 3.28Å; Q101-G103 PolarHBondContact O-N 3.28Å; Q101-R104 WeakPolarHBondContact O-CA 3.31Å; Q101-R104 WeakPolarHBondContact O-CB 3.31Å; Q101-R104 PolarHBondContact O-N 3.03Å; Q101-D105 PolarHBondContact NE2-OD1 3.13Å; Q101-D105 PolarHBondContact NE2-OD2 3.13Å; Q101-D105 PolarHBondContact O-N 2.93Å
102K94.8Very high93.5Very high103 Ų10380.9 Ų80.945%0.44839%0.393SS..Hα-helixtrans-58.5-40.3176.5-164.9177.6-174.8-169.30112E70 I74 Q98 R104 D105 V106E70-K102 WeakPolarHBondContact OE1-CE 3.49Å; E70-K102 IonicContact OE1-NZ 3.65Å; E70-K102 PolarHBondContact OE1-NZ 3.03Å; I74-K102 HydrophobicContact CD1-CB 4.17Å; I74-K102 HydrophobicContact CD1-CD 3.97Å; I74-K102 HydrophobicContact CD1-CG 3.78Å; Q98-K102 VanDerWaalsContact O-CB 3.23Å; Q98-K102 WeakPolarHBondContact O-CB 3.34Å; Q98-K102 PolarHBondContact O-N 2.7Å; K102-R104 VanDerWaalsContact C-N 3.32Å; K102-R104 PolarHBondContact O-N 3.49Å; K102-D105 PolarHBondContact O-N 3.22Å; K102-V106 WeakPolarHBondContact O-CB 3.44Å; K102-V106 VanDerWaalsContact O-CG2 3.26Å; K102-V106 WeakPolarHBondContact O-CG2 3.4Å; K102-V106 PolarHBondContact O-N 3.36Å
103G96.5Very high94.3Very high16 Ų1674.6 Ų74.617%0.16536%0.36CS..Hα-helixtrans-63.3-34.6174.800000113.6A99 L100 Q101 R107A99-G103 PolarHBondContact O-N 3.1Å; L100-G103 PolarHBondContact O-N 3.39Å; Q101-G103 VanDerWaalsContact C-N 3.28Å; Q101-G103 PolarHBondContact O-N 3.28Å; G103-R107 WeakPolarHBondContact O-CB 3.38Å; G103-R107 PolarHBondContact O-N 3.01Å
104R96.4Very high94.9Very high152 Ų15276.9 Ų76.957%0.57437%0.366SS*.Hα-helixtrans-69-45.6172.4-70.8174.9-178.7-177.4-0.2111.2L100 Q101 K102 R107 N108L100-R104 WeakPolarHBondContact O-CG 3.31Å; L100-R104 PolarHBondContact O-N 3.2Å; Q101-R104 WeakPolarHBondContact O-CA 3.31Å; Q101-R104 WeakPolarHBondContact O-CB 3.31Å; Q101-R104 PolarHBondContact O-N 3.03Å; K102-R104 VanDerWaalsContact C-N 3.32Å; K102-R104 PolarHBondContact O-N 3.49Å; R104-R107 PolarHBondContact O-N 3.33Å; R104-N108 VanDerWaalsContact O-CG 3.31Å; R104-N108 PolarHBondContact O-N 3.05Å
105D97.1Very high95.3Very high78 Ų7878.6 Ų78.642%0.41737%0.37SS..Hα-helixtrans-63.2-44.7-179.2-62.1-27.5000111.4Q101 K102 R107 N108 R109Q101-D105 PolarHBondContact NE2-OD1 3.13Å; Q101-D105 PolarHBondContact NE2-OD2 3.13Å; Q101-D105 PolarHBondContact O-N 2.93Å; K102-D105 PolarHBondContact O-N 3.22Å; D105-R107 VanDerWaalsContact C-N 3.33Å; D105-R107 PolarHBondContact O-N 3.29Å; D105-N108 PolarHBondContact O-N 3.39Å; D105-R109 WeakPolarHBondContact O-CB 3.4Å; D105-R109 PolarHBondContact O-N 2.68Å
106V97.8Very high95.8Very high7 Ų777.2 Ų77.24%0.04236%0.36CS..Hα-helixtrans-58.6-43.8173.6168.60000111.3L67 E70 K71 I74 K102 R109 L110L67-V106 HydrophobicContact CB-CG1 4.21Å; L67-V106 HydrophobicContact CD2-CG1 4.24Å; L67-V106 HydrophobicContact CD2-CG2 4.13Å; L67-V106 WeakPolarHBondContact O-CG1 3.35Å; E70-V106 HydrophobicContact CG-CG2 4.26Å; K71-V106 HydrophobicContact CB-CG1 3.93Å; I74-V106 HydrophobicContact CD1-CG2 4.08Å; K102-V106 WeakPolarHBondContact O-CB 3.44Å; K102-V106 VanDerWaalsContact O-CG2 3.26Å; K102-V106 WeakPolarHBondContact O-CG2 3.4Å; K102-V106 PolarHBondContact O-N 3.36Å; V106-R109 PolarHBondContact O-N 2.68Å; V106-L110 HydrophobicContact CG1-CD1 3.95Å; V106-L110 HydrophobicContact CG1-CG 4.44Å; V106-L110 WeakPolarHBondContact O-CB 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.29Å; V106-L110 PolarHBondContact O-N 3.45Å
107R97.6Very high96.2Very high141 Ų14176.5 Ų76.553%0.53236%0.359SS..Hα-helixtrans-64.4-43.1177.9-173.3-176.7-60.8144.72.6111.9G103 R104 D105 R109 L110 N111G103-R107 WeakPolarHBondContact O-CB 3.38Å; G103-R107 PolarHBondContact O-N 3.01Å; R104-R107 PolarHBondContact O-N 3.33Å; D105-R107 VanDerWaalsContact C-N 3.33Å; D105-R107 PolarHBondContact O-N 3.29Å; R107-R109 VanDerWaalsContact C-N 3.34Å; R107-L110 PolarHBondContact O-N 2.81Å; R107-N111 VanDerWaalsContact O-CG 3.28Å; R107-N111 PolarHBondContact O-N 2.79Å; R107-N111 PolarHBondContact O-OD1 2.89Å
108N97.9Very high96.6Very high91 Ų9175.3 Ų75.349%0.48736%0.357SS..Hα-helixtrans-63.4-42.9178.3-70.5-17.8000111.1R104 D105 N111 Q112R104-N108 VanDerWaalsContact O-CG 3.31Å; R104-N108 PolarHBondContact O-N 3.05Å; D105-N108 PolarHBondContact O-N 3.39Å; N108-N111 PolarHBondContact O-N 2.65Å; N108-Q112 PolarHBondContact O-N 2.74Å
109R97.8Very high96.8Very high100 Ų10074 Ų7438%0.37735%0.351SS..Hα-helixtrans-64.2-44.8176.1-176.459176169.93.4111.9E63 L67 D105 V106 R107 N111 Q112 L113E63-R109 IonicContact OE1-CZ 2.76Å; E63-R109 VanDerWaalsContact OE1-CZ 3.31Å; E63-R109 IonicContact OE1-NE 3.9Å; E63-R109 PolarHBondContact OE1-NE 3.42Å; E63-R109 IonicContact OE1-NH2 2.65Å; E63-R109 PolarHBondContact OE1-NH2 3.33Å; E63-R109 IonicContact OE2-CZ 3.15Å; E63-R109 IonicContact OE2-NH2 3.13Å; E63-R109 PolarHBondContact OE2-NH2 3.38Å; L67-R109 HydrophobicContact CD1-CB 4.12Å; L67-R109 HydrophobicContact CD1-CG 3.5Å; L67-R109 VanDerWaalsContact CD1-CG 3.5Å; D105-R109 WeakPolarHBondContact O-CB 3.4Å; D105-R109 PolarHBondContact O-N 2.68Å; V106-R109 PolarHBondContact O-N 2.68Å; R107-R109 VanDerWaalsContact C-N 3.34Å; R109-N111 VanDerWaalsContact C-N 3.33Å; R109-N111 PolarHBondContact O-N 3.04Å; R109-Q112 PolarHBondContact O-N 2.91Å; R109-L113 HydrophobicContact CG-CD1 3.98Å; R109-L113 HydrophobicContact CG-CG 4.37Å; R109-L113 WeakPolarHBondContact O-CG 3.49Å; R109-L113 PolarHBondContact O-N 3.36Å
110L98.3Very high97.1Very high3 Ų373.4 Ų73.42%0.01635%0.346CS..Hα-helixtrans-57.2-44.7174.9-79.3170.5000111.9I64 L67 E68 K71 V106 R107 Q112 L113 Y114I64-L110 HydrophobicContact CB-CD2 4.44Å; I64-L110 HydrophobicContact CG2-CD2 4.11Å; L67-L110 HydrophobicContact CB-CD1 4.39Å; L67-L110 HydrophobicContact CB-CD2 3.69Å; L67-L110 HydrophobicContact CB-CG 3.93Å; L67-L110 HydrophobicContact CD1-CD2 4.33Å; L67-L110 HydrophobicContact CD1-CG 4.41Å; E68-L110 HydrophobicContact CG-CD1 4.43Å; E68-L110 HydrophobicContact CG-CD2 4.08Å; K71-L110 HydrophobicContact CD-CD1 3.99Å; V106-L110 HydrophobicContact CG1-CD1 3.95Å; V106-L110 HydrophobicContact CG1-CG 4.44Å; V106-L110 WeakPolarHBondContact O-CB 3.31Å; V106-L110 WeakPolarHBondContact O-CG 3.29Å; V106-L110 PolarHBondContact O-N 3.45Å; R107-L110 PolarHBondContact O-N 2.81Å; L110-Q112 VanDerWaalsContact C-N 3.29Å; L110-Q112 PolarHBondContact O-N 2.98Å; L110-L113 PolarHBondContact O-N 2.82Å; L110-L113 VanDerWaalsContact O-N 3.16Å; L110-Y114 HydrophobicContact CB-CD2 4.38Å; L110-Y114 HydrophobicContact CB-CE2 3.89Å; L110-Y114 HydrophobicContact CD2-CE2 4.44Å; L110-Y114 WeakPolarHBondContact O-CD2 3.23Å; L110-Y114 PolarHBondContact O-N 3.24Å
111N98.1Very high97.3Very high87 Ų8770.5 Ų70.547%0.46533%0.331SS..Hα-helixtrans-59.2-39.2177.6-70.6-12000112.7R107 N108 R109 L115R107-N111 VanDerWaalsContact O-CG 3.28Å; R107-N111 PolarHBondContact O-N 2.79Å; R107-N111 PolarHBondContact O-OD1 2.89Å; N108-N111 PolarHBondContact O-N 2.65Å; R109-N111 VanDerWaalsContact C-N 3.33Å; R109-N111 PolarHBondContact O-N 3.04Å; N111-L115 WeakPolarHBondContact O-CG 3.42Å; N111-L115 PolarHBondContact O-N 3.43Å
112Q97.9Very high97.4Very high116 Ų11670.8 Ų70.854%0.54233%0.333SS..Hα-helixtrans-68.4-43175.2-67.7172.8-5.800111.7N108 R109 L110 L115 R116N108-Q112 PolarHBondContact O-N 2.74Å; R109-Q112 PolarHBondContact O-N 2.91Å; L110-Q112 VanDerWaalsContact C-N 3.29Å; L110-Q112 PolarHBondContact O-N 2.98Å; Q112-L115 PolarHBondContact O-N 3.06Å; Q112-R116 PolarHBondContact O-N 3.4Å
113L98.4Very high97.4Very high6 Ų668.6 Ų68.63%0.03132%0.324CS..Hα-helixtrans-68.4-36.1-179.3-69.2172.3000112.6V60 E63 I64 L67 R109 L110 L115 R116 D117V60-L113 HydrophobicContact CG1-CB 4.4Å; V60-L113 HydrophobicContact CG1-CD2 4.19Å; V60-L113 HydrophobicContact CG2-CD2 4.49Å; E63-L113 HydrophobicContact CB-CD1 4.09Å; E63-L113 HydrophobicContact CG-CD1 3.75Å; I64-L113 HydrophobicContact CD1-CB 3.96Å; I64-L113 HydrophobicContact CG1-CB 3.59Å; I64-L113 HydrophobicContact CG1-CD1 4.02Å; I64-L113 HydrophobicContact CG1-CG 4.42Å; L67-L113 HydrophobicContact CD1-CD1 3.53Å; R109-L113 HydrophobicContact CG-CD1 3.98Å; R109-L113 HydrophobicContact CG-CG 4.37Å; R109-L113 WeakPolarHBondContact O-CG 3.49Å; R109-L113 PolarHBondContact O-N 3.36Å; L110-L113 PolarHBondContact O-N 2.82Å; L110-L113 VanDerWaalsContact O-N 3.16Å; L113-L115 VanDerWaalsContact C-N 3.33Å; L113-L115 PolarHBondContact O-N 3.48Å; L113-R116 PolarHBondContact O-N 3.12Å; L113-D117 WeakPolarHBondContact O-CB 3.39Å; L113-D117 PolarHBondContact O-N 3.17Å
114Y98.4Very high97.4Very high92 Ų9268 Ų6836%0.36132%0.316SS..Hα-helixtrans-64.1-38.4175.5-67.8-47.9000112.3I64 E68 L110 A118I64-Y114 HydrophobicContact CD1-CD1 3.96Å; I64-Y114 HydrophobicContact CD1-CE1 4.29Å; I64-Y114 HydrophobicContact CG2-CD1 4.37Å; I64-Y114 HydrophobicContact CG2-CE1 3.63Å; E68-Y114 PolarHBondContact OE1-OH 3.15Å; L110-Y114 HydrophobicContact CB-CD2 4.38Å; L110-Y114 HydrophobicContact CB-CE2 3.89Å; L110-Y114 HydrophobicContact CD2-CE2 4.44Å; L110-Y114 WeakPolarHBondContact O-CD2 3.23Å; L110-Y114 PolarHBondContact O-N 3.24Å; Y114-A118 PolarHBondContact O-N 3.11Å; Y114-A118 VanDerWaalsContact O-N 3.14Å
115L97.9Very high97.4Very high121 Ų12161.6 Ų61.663%0.63429%0.293SS*.Hα-helixtrans-64-45.2173-67.8172.3000110.7N111 Q112 L113 D117 A118 E119N111-L115 WeakPolarHBondContact O-CG 3.42Å; N111-L115 PolarHBondContact O-N 3.43Å; Q112-L115 PolarHBondContact O-N 3.06Å; L113-L115 VanDerWaalsContact C-N 3.33Å; L113-L115 PolarHBondContact O-N 3.48Å; L115-D117 PolarHBondContact O-N 2.99Å; L115-A118 PolarHBondContact O-N 3.42Å; L115-E119 WeakPolarHBondContact O-CG 3.17Å; L115-E119 PolarHBondContact O-N 2.78Å; L115-E119 VanDerWaalsContact O-N 3.11Å
116R97.9Very high97.2Very high77 Ų7759.9 Ų59.929%0.29129%0.286SS..Hα-helixtrans-65.2-38.1178.6-17457.2178.9158.54.6112.9E56 V60 Q112 L113 E119 L120E56-R116 VanDerWaalsContact CD-NH2 3.32Å; E56-R116 IonicContact OE1-CZ 2.73Å; E56-R116 VanDerWaalsContact OE1-CZ 3.29Å; E56-R116 IonicContact OE1-NE 2.76Å; E56-R116 PolarHBondContact OE1-NE 3.23Å; E56-R116 IonicContact OE1-NH2 2.72Å; E56-R116 PolarHBondContact OE1-NH2 2.8Å; E56-R116 IonicContact OE2-NH2 3.76Å; E56-R116 PolarHBondContact OE2-NH2 3.31Å; V60-R116 HydrophobicContact CG2-CG 4.12Å; Q112-R116 PolarHBondContact O-N 3.4Å; L113-R116 PolarHBondContact O-N 3.12Å; R116-E119 IonicContact NH1-OE2 3.24Å; R116-E119 PolarHBondContact NH1-OE2 2.62Å; R116-E119 VanDerWaalsContact NH1-OE2 3.15Å; R116-E119 PolarHBondContact O-N 2.96Å; R116-L120 HydrophobicContact CG-CD1 3.88Å; R116-L120 HydrophobicContact CG-CG 4.4Å; R116-L120 WeakPolarHBondContact O-CB 3.47Å; R116-L120 WeakPolarHBondContact O-CG 3.47Å; R116-L120 PolarHBondContact O-N 3.27Å
117D98.3Very high97.1Very high33 Ų3361.6 Ų61.618%0.17629%0.294CS..Hα-helixtrans-60.4-46.8175179.379.4000110.7L57 V60 R61 I64 L113 L115 E119 L120 D121L57-D117 VanDerWaalsContact CD1-OD1 3.32Å; L57-D117 WeakPolarHBondContact CD1-OD1 3.48Å; V60-D117 HydrophobicContact CG1-CB 3.98Å; R61-D117 WeakPolarHBondContact CG-OD1 3.39Å; R61-D117 IonicContact CZ-OD1 3.31Å; R61-D117 IonicContact NE-OD1 3.97Å; R61-D117 PolarHBondContact NE-OD1 3.03Å; R61-D117 IonicContact NH2-OD1 3Å; R61-D117 IonicContact NH2-OD2 2.69Å; I64-D117 HydrophobicContact CD1-CB 3.99Å; L113-D117 WeakPolarHBondContact O-CB 3.39Å; L113-D117 PolarHBondContact O-N 3.17Å; L115-D117 PolarHBondContact O-N 2.99Å; D117-E119 PolarHBondContact O-N 2.79Å; D117-L120 PolarHBondContact O-N 3.47Å; D117-D121 WeakPolarHBondContact O-CB 3.27Å; D117-D121 PolarHBondContact O-N 3.14Å
118A96.6Very high97Very high52 Ų5254.9 Ų54.943%0.4327%0.269SS..Hα-helixtrans-62-43.117800000112.5Y114 L115 Q122Y114-A118 PolarHBondContact O-N 3.11Å; Y114-A118 VanDerWaalsContact O-N 3.14Å; L115-A118 PolarHBondContact O-N 3.42Å; A118-Q122 WeakPolarHBondContact O-CB 3.35Å; A118-Q122 PolarHBondContact O-N 3.34Å; A118-Q122 VanDerWaalsContact O-N 3.07Å
119E96.9Very high97Very high109 Ų10951.1 Ų51.151%0.50925%0.248SC..Hα-helixtrans-61.6-48.7175.9-71.3173178.800112.2L115 R116 D117 Q122 E123L115-E119 WeakPolarHBondContact O-CG 3.17Å; L115-E119 PolarHBondContact O-N 2.78Å; L115-E119 VanDerWaalsContact O-N 3.11Å; R116-E119 IonicContact NH1-OE2 3.24Å; R116-E119 PolarHBondContact NH1-OE2 2.62Å; R116-E119 VanDerWaalsContact NH1-OE2 3.15Å; R116-E119 PolarHBondContact O-N 2.96Å; D117-E119 PolarHBondContact O-N 2.79Å; E119-Q122 PolarHBondContact O-N 3.46Å; E119-E123 WeakPolarHBondContact O-CB 2.93Å; E119-E123 PolarHBondContact O-N 2.94Å
120L97.8Very high96.9Very high0 Ų050.5 Ų50.50%025%0.246CC..Hα-helixtrans-68.2-35.8-179.1-77.1170.9000112.2V53 E56 L57 V60 R116 D117 E123 H124V53-L120 HydrophobicContact CG1-CD2 4.12Å; E56-L120 HydrophobicContact CB-CD1 4.17Å; E56-L120 HydrophobicContact CB-CD2 4.28Å; E56-L120 HydrophobicContact CG-CD1 3.76Å; E56-L120 HydrophobicContact CG-CD2 4.31Å; L57-L120 HydrophobicContact CB-CB 4.14Å; L57-L120 HydrophobicContact CD1-CB 3.77Å; L57-L120 HydrophobicContact CG-CB 4.47Å; V60-L120 HydrophobicContact CB-CD1 4.47Å; V60-L120 HydrophobicContact CG2-CD1 3.88Å; R116-L120 HydrophobicContact CG-CD1 3.88Å; R116-L120 HydrophobicContact CG-CG 4.4Å; R116-L120 WeakPolarHBondContact O-CB 3.47Å; R116-L120 WeakPolarHBondContact O-CG 3.47Å; R116-L120 PolarHBondContact O-N 3.27Å; D117-L120 PolarHBondContact O-N 3.47Å; L120-E123 PolarHBondContact O-N 3.31Å; L120-H124 WeakPolarHBondContact O-CB 3.11Å; L120-H124 PolarHBondContact O-N 3.36Å
121D96.6Very high96.8Very high7 Ų751 Ų514%0.03725%0.249CC..Hα-helixtrans-65.1-44.9176.4-17382.7000110.9Y6 K16 L57 R61 D117 H124 Y125Y6-D121 VanDerWaalsContact CE2-OD2 3.32Å; Y6-D121 WeakPolarHBondContact CE2-OD2 3.13Å; Y6-D121 PolarHBondContact OH-OD2 3.32Å; K16-D121 WeakPolarHBondContact CE-OD2 3.33Å; K16-D121 IonicContact NZ-OD1 2.66Å; K16-D121 PolarHBondContact NZ-OD1 3.07Å; K16-D121 IonicContact NZ-OD2 2.81Å; K16-D121 PolarHBondContact NZ-OD2 2.78Å; L57-D121 HydrophobicContact CD1-CB 4.32Å; L57-D121 HydrophobicContact CD2-CB 4.47Å; R61-D121 IonicContact CZ-OD1 3.33Å; R61-D121 IonicContact NH2-OD1 3.29Å; R61-D121 PolarHBondContact NH2-OD1 3.16Å; D117-D121 WeakPolarHBondContact O-CB 3.27Å; D117-D121 PolarHBondContact O-N 3.14Å; D121-H124 PolarHBondContact O-N 3.39Å; D121-Y125 WeakPolarHBondContact O-CD2 3.03Å; D121-Y125 PolarHBondContact O-N 3.11Å; D121-Y125 VanDerWaalsContact O-N 3.09Å
122Q95.7Very high96.8Very high96 Ų9647.9 Ų47.945%0.44923%0.234SC..Hα-helixtrans-63.7-45.7173.8-176.7179.5-7.400111.8Y6 A118 E119 H124 S126Y6-Q122 HydrophobicContact CD1-CG 4.32Å; Y6-Q122 HydrophobicContact CE1-CB 3.77Å; Y6-Q122 HydrophobicContact CE1-CG 3.73Å; Y6-Q122 WeakPolarHBondContact OH-CA 3.32Å; Y6-Q122 PolarHBondContact OH-N 2.89Å; A118-Q122 WeakPolarHBondContact O-CB 3.35Å; A118-Q122 PolarHBondContact O-N 3.34Å; A118-Q122 VanDerWaalsContact O-N 3.07Å; E119-Q122 PolarHBondContact O-N 3.46Å; Q122-H124 VanDerWaalsContact C-N 3.32Å; Q122-H124 PolarHBondContact O-N 3.21Å; Q122-S126 VanDerWaalsContact O-CB 3.27Å; Q122-S126 WeakPolarHBondContact O-CB 3.5Å; Q122-S126 PolarHBondContact O-N 3.41Å; Q122-S126 PolarHBondContact O-OG 3.33Å
123E96Very high96.8Very high57 Ų5742.8 Ų42.827%0.26621%0.21SC..Hα-helixtrans-61.2-44.1178.1-175.2168.1-167.500110.8K49 V53 E119 L120 S126 Q127K49-E123 WeakPolarHBondContact CE-OE1 3.42Å; K49-E123 IonicContact NZ-OE1 2.73Å; K49-E123 PolarHBondContact NZ-OE1 3.17Å; V53-E123 HydrophobicContact CG1-CB 4.22Å; V53-E123 HydrophobicContact CG1-CG 4.13Å; V53-E123 HydrophobicContact CG2-CG 4.19Å; E119-E123 WeakPolarHBondContact O-CB 2.93Å; E119-E123 PolarHBondContact O-N 2.94Å; L120-E123 PolarHBondContact O-N 3.31Å; E123-S126 PolarHBondContact O-N 3.11Å; E123-S126 PolarHBondContact O-OG 2.89Å; E123-Q127 PolarHBondContact O-N 3.49Å
124H96.6Very high96.8Very high2 Ų247.2 Ų47.21%0.00923%0.233CC..Hα-helixtrans-55.6-59.4177.4173.165.4000111.5V53 W54 L57 L120 D121 Q122 S126 Q127 A128V53-H124 HydrophobicContact CG1-CB 4.03Å; W54-H124 AromaticContact CE3-CE1 3.47Å; W54-H124 VanDerWaalsContact CE3-CE1 3.47Å; W54-H124 AromaticContact CE3-ND1 3.77Å; W54-H124 AromaticContact CE3-NE2 3.61Å; W54-H124 AromaticContact CZ3-NE2 3.78Å; L57-H124 HydrophobicContact CD2-CB 4.2Å; L120-H124 WeakPolarHBondContact O-CB 3.11Å; L120-H124 PolarHBondContact O-N 3.36Å; D121-H124 PolarHBondContact O-N 3.39Å; Q122-H124 VanDerWaalsContact C-N 3.32Å; Q122-H124 PolarHBondContact O-N 3.21Å; H124-S126 VanDerWaalsContact C-N 3.3Å; H124-S126 PolarHBondContact O-N 3.3Å; H124-Q127 PolarHBondContact O-N 2.88Å; H124-Q127 VanDerWaalsContact O-N 3.14Å; H124-A128 VanDerWaalsContact O-CB 3.23Å; H124-A128 WeakPolarHBondContact O-CB 3.29Å; H124-A128 PolarHBondContact O-N 3.36Å
125Y96.3Very high96.8Very high19 Ų1944.4 Ų44.48%0.07523%0.226CC..Hα-helixtrans-66.1-32.7-176.4-82-74.5000112.8Y6 K16 P17 D121 Q127 L129Y6-Y125 VanDerWaalsContact CD2-CB 3.44Å; Y6-Y125 AromaticContact CD2-CD2 3.73Å; Y6-Y125 HydrophobicContact CD2-CD2 3.73Å; Y6-Y125 AromaticContact CD2-CG 3.64Å; Y6-Y125 HydrophobicContact CD2-CG 3.64Å; Y6-Y125 AromaticContact CE2-CD2 3.55Å; Y6-Y125 HydrophobicContact CE2-CD2 3.55Å; Y6-Y125 HydrophobicContact CE2-CE2 4.42Å; Y6-Y125 AromaticContact CE2-CG 3.96Å; Y6-Y125 HydrophobicContact CE2-CG 3.96Å; K16-Y125 HydrophobicContact CB-CE2 4.49Å; K16-Y125 WeakPolarHBondContact CB-OH 2.83Å; K16-Y125 HydrophobicContact CD-CE2 3.86Å; K16-Y125 HydrophobicContact CG-CE2 4.27Å; P17-Y125 HydrophobicContact CB-CE1 4.15Å; P17-Y125 HydrophobicContact CG-CE1 4.45Å; P17-Y125 VanDerWaalsContact O-CE1 3.31Å; P17-Y125 WeakPolarHBondContact O-CE1 3.4Å; P17-Y125 PolarHBondContact O-OH 2.91Å; D121-Y125 WeakPolarHBondContact O-CD2 3.03Å; D121-Y125 PolarHBondContact O-N 3.11Å; D121-Y125 VanDerWaalsContact O-N 3.09Å; Y125-Q127 PolarHBondContact O-N 2.91Å; Y125-L129 HydrophobicContact CD1-CD1 4.08Å; Y125-L129 HydrophobicContact CD1-CD2 4.39Å; Y125-L129 HydrophobicContact CD1-CG 4.06Å; Y125-L129 WeakPolarHBondContact O-CB 3.46Å; Y125-L129 WeakPolarHBondContact O-CD1 3.26Å; Y125-L129 WeakPolarHBondContact O-CG 3.38Å; Y125-L129 PolarHBondContact O-N 3.05Å
126S92.8Very high96.8Very high41 Ų4140.2 Ų40.229%0.28720%0.203SC..Hα-helixtrans-61.7-23.9176.377.60000114Q122 E123 H124 R130Q122-S126 VanDerWaalsContact O-CB 3.27Å; Q122-S126 WeakPolarHBondContact O-CB 3.5Å; Q122-S126 PolarHBondContact O-N 3.41Å; Q122-S126 PolarHBondContact O-OG 3.33Å; E123-S126 PolarHBondContact O-N 3.11Å; E123-S126 PolarHBondContact O-OG 2.89Å; H124-S126 VanDerWaalsContact C-N 3.3Å; H124-S126 PolarHBondContact O-N 3.3Å; S126-R130 VanDerWaalsContact O-CD 3.31Å; S126-R130 WeakPolarHBondContact O-CD 3.47Å
127Q94.3Very high96.8Very high44 Ų4441.7 Ų41.721%0.20622%0.223CC..Hα-helixtrans-107.2-47.5-179.7-59.2-61.3-18.100112.2I50 E123 H124 Y125 L129 R130I50-Q127 HydrophobicContact CD1-CB 4.04Å; I50-Q127 HydrophobicContact CG1-CB 3.55Å; E123-Q127 PolarHBondContact O-N 3.49Å; H124-Q127 PolarHBondContact O-N 2.88Å; H124-Q127 VanDerWaalsContact O-N 3.14Å; Y125-Q127 PolarHBondContact O-N 2.91Å; Q127-L129 VanDerWaalsContact C-N 3.31Å; Q127-L129 PolarHBondContact O-N 2.96Å; Q127-R130 VanDerWaalsContact O-CB 3.29Å; Q127-R130 WeakPolarHBondContact O-CB 3.36Å; Q127-R130 PolarHBondContact O-N 3.14Å
128A96.6Very high96.8Very high0 Ų044.8 Ų44.80%024%0.239CC..Hα-helixtrans-64.1-34-17400000112.5L19 M21 I50 H124 R130 L131L19-A128 HydrophobicContact CD1-CB 3.53Å; M21-A128 HydrophobicContact SD-CB 4.36Å; I50-A128 HydrophobicContact CG2-CB 4.08Å; H124-A128 VanDerWaalsContact O-CB 3.23Å; H124-A128 WeakPolarHBondContact O-CB 3.29Å; H124-A128 PolarHBondContact O-N 3.36Å; A128-R130 PolarHBondContact O-N 3.31Å; A128-L131 VanDerWaalsContact O-CB 3.3Å; A128-L131 WeakPolarHBondContact O-CB 3.17Å; A128-L131 WeakPolarHBondContact O-CG 3.35Å; A128-L131 PolarHBondContact O-N 2.84Å
129L96.8Very high96.9Very high11 Ų1142.8 Ų42.86%0.05822%0.222CC..THydrogen-bonded Turntrans-64.6-21.4176.5-71.2172.3000113.5S3 L5 P17 L19 Y125 Q127 L131 R394S3-L129 VanDerWaalsContact OG-CD1 3.22Å; S3-L129 WeakPolarHBondContact OG-CD1 3.26Å; L5-L129 HydrophobicContact CB-CD1 3.95Å; L5-L129 HydrophobicContact CD1-CD1 4.18Å; L5-L129 HydrophobicContact CD1-CD2 3.99Å; P17-L129 HydrophobicContact CB-CD2 3.86Å; P17-L129 HydrophobicContact CG-CD2 4.01Å; L19-L129 HydrophobicContact CD1-CD2 4.22Å; L19-L129 HydrophobicContact CD2-CD2 4.29Å; Y125-L129 HydrophobicContact CD1-CD1 4.08Å; Y125-L129 HydrophobicContact CD1-CD2 4.39Å; Y125-L129 HydrophobicContact CD1-CG 4.06Å; Y125-L129 WeakPolarHBondContact O-CB 3.46Å; Y125-L129 WeakPolarHBondContact O-CD1 3.26Å; Y125-L129 WeakPolarHBondContact O-CG 3.38Å; Y125-L129 PolarHBondContact O-N 3.05Å; Q127-L129 VanDerWaalsContact C-N 3.31Å; Q127-L129 PolarHBondContact O-N 2.96Å; L129-L131 VanDerWaalsContact C-N 3.3Å; L129-R394 HydrophobicContact CD2-CG 4.35Å; L129-R394 PolarHBondContact O-NH2 2.84Å; L129-R394 VanDerWaalsContact O-NH2 3.11Å
130R95.8Very high97Very high87 Ų8738.5 Ų38.533%0.32820%0.204SC..THydrogen-bonded Turntrans-80.3-9.9177-55.8168.963-153.3-1.9112.8L42 S126 Q127 A128L42-R130 HydrophobicContact CD1-CB 3.94Å; L42-R130 WeakPolarHBondContact CD1-O 3.35Å; L42-R130 HydrophobicContact CD2-CB 4.28Å; L42-R130 HydrophobicContact CG-CB 4.23Å; S126-R130 VanDerWaalsContact O-CD 3.31Å; S126-R130 WeakPolarHBondContact O-CD 3.47Å; Q127-R130 VanDerWaalsContact O-CB 3.29Å; Q127-R130 WeakPolarHBondContact O-CB 3.36Å; Q127-R130 PolarHBondContact O-N 3.14Å; A128-R130 PolarHBondContact O-N 3.31Å
131L97.4Very high97.1Very high14 Ų1442.9 Ų42.97%0.07323%0.23CC..PPolyproline II helixtrans-62.2133.1173.5-72168.5000109.5V24 V31 V35 L42 V47 I50 A128 L129 Y390 R394V24-L131 HydrophobicContact CG1-CD1 4.43Å; V24-L131 HydrophobicContact CG2-CD1 4.43Å; V31-L131 HydrophobicContact CG1-CD2 4.18Å; V35-L131 HydrophobicContact CG1-CD2 4.26Å; L42-L131 HydrophobicContact CD1-CD2 3.77Å; L42-L131 HydrophobicContact CD1-CG 4.14Å; V47-L131 HydrophobicContact CG2-CD2 4.19Å; I50-L131 HydrophobicContact CD1-CD1 4.27Å; I50-L131 HydrophobicContact CD1-CD2 3.97Å; I50-L131 HydrophobicContact CD1-CG 3.97Å; I50-L131 HydrophobicContact CG2-CD1 4.21Å; A128-L131 VanDerWaalsContact O-CB 3.3Å; A128-L131 WeakPolarHBondContact O-CB 3.17Å; A128-L131 WeakPolarHBondContact O-CG 3.35Å; A128-L131 PolarHBondContact O-N 2.84Å; L129-L131 VanDerWaalsContact C-N 3.3Å; L131-Y390 WeakPolarHBondContact O-CE2 3.36Å; L131-R394 PolarHBondContact O-NH2 3.38Å
132P97.9Very high97.1Very high22 Ų2243.1 Ų43.114%0.14323%0.234CC..PPolyproline II helixtrans-71168.917233.1-35.3000110.2V35 L360V35-P132 HydrophobicContact CG1-CG 3.98Å; P132-L360 WeakPolarHBondContact CA-O 3.49Å; P132-L360 HydrophobicContact CB-CD2 4.05Å
133N98.4Very high97.2Very high8 Ų842 Ų424%0.04323%0.232CC..PPolyproline II helixtrans-62.2165.1166.3-158.7-5000111.3N34 R38 L360 P361 C387 T388 Y390N34-N133 PolarHBondContact ND2-O 2.91Å; R38-N133 PolarHBondContact NE-O 3.25Å; R38-N133 PolarHBondContact NH2-O 3Å; N133-L360 PolarHBondContact N-O 3.16Å; N133-P361 WeakPolarHBondContact CB-O 3.38Å; N133-P361 PolarHBondContact ND2-O 2.99Å; N133-C387 PolarHBondContact ND2-O 3.28Å; N133-T388 PolarHBondContact ND2-OG1 3.25Å; N133-T388 PolarHBondContact OD1-OG1 3.42Å; N133-Y390 HydrophobicContact CB-CD2 3.73Å; N133-Y390 HydrophobicContact CB-CG 4.31Å
134N97.6Very high97.3Very high99 Ų9944.8 Ų44.853%0.52924%0.244SC..PPolyproline II helixtrans-60.1160.9165.5-70.8-27000110.6R38 Y363R38-N134 PolarHBondContact NH2-O 3.49Å; N134-Y363 HydrophobicContact CB-CD2 4.22Å; N134-Y363 HydrophobicContact CB-CE2 4.47Å; N134-Y363 WeakPolarHBondContact O-CA 3.23Å; N134-Y363 WeakPolarHBondContact O-CD2 3.46Å
135T98.7Very high97.3Very high33 Ų3349 Ų4920%0.20227%0.274CS..  trans-112.1132.6179.1-63.10000110.1N34 R38 V139 T355 L358N34-T135 VanDerWaalsContact OD1-CB 3.26Å; N34-T135 WeakPolarHBondContact OD1-CB 3.32Å; N34-T135 PolarHBondContact OD1-OG1 3.18Å; R38-T135 PolarHBondContact NE-OG1 3.39Å; R38-T135 PolarHBondContact NH2-OG1 3.36Å; T135-V139 HydrophobicContact CG2-CB 3.71Å; T135-V139 HydrophobicContact CG2-CG1 3.94Å; T135-V139 HydrophobicContact CG2-CG2 3.93Å; T135-T355 HydrophobicContact CG2-CG2 4.04Å; T135-L358 HydrophobicContact CG2-CD1 3.92Å
136H98.6Very high97.4Very high33 Ų3352.9 Ų52.915%0.15329%0.293CS..  trans-61.2135.6175.6-176.9-64.3000110.6D138 V139 Y363 R364H136-D138 VanDerWaalsContact C-N 3.25Å; H136-D138 IonicContact CE1-OD2 2.57Å; H136-D138 PolarHBondContact CE1-OD2 2.99Å; H136-D138 VanDerWaalsContact CE1-OD2 3.3Å; H136-D138 PolarHBondContact ND1-N 3.1Å; H136-D138 PolarHBondContact O-N 3.31Å; H136-D138 VanDerWaalsContact O-N 3.11Å; H136-V139 HydrophobicContact CB-CG2 3.91Å; H136-V139 WeakPolarHBondContact O-CB 3.24Å; H136-V139 WeakPolarHBondContact O-CG2 3.24Å; H136-V139 PolarHBondContact O-N 3.03Å; H136-Y363 VanDerWaalsContact CA-CZ 3.43Å; H136-Y363 HydrophobicContact CB-CD1 4.04Å; H136-Y363 HydrophobicContact CB-CD2 4.25Å; H136-Y363 HydrophobicContact CB-CE1 3.67Å; H136-Y363 HydrophobicContact CB-CE2 3.85Å; H136-Y363 HydrophobicContact CB-CG 4.31Å; H136-Y363 WeakPolarHBondContact CB-O 3.41Å; H136-Y363 AromaticContact CD2-CE1 3.39Å; H136-Y363 WeakPolarHBondContact CD2-CE1 3.09Å; H136-Y363 AromaticContact CD2-CZ 3.67Å; H136-Y363 PolarHBondContact CD2-OH 3.25Å; H136-Y363 AromaticContact CG-CE1 3.89Å; H136-Y363 AromaticContact CG-CZ 3.86Å; H136-Y363 VanDerWaalsContact N-CE2 3.27Å; H136-Y363 PolarHBondContact N-O 3.45Å; H136-R364 HydrophobicContact CB-CB 4.08Å; H136-R364 HydrophobicContact CB-CG 4.49Å; H136-R364 PolarHBondContact CE1-NH1 3.12Å; H136-R364 VanDerWaalsContact CE1-NH1 3.26Å; H136-R364 PolarHBondContact ND1-NH1 2.87Å; H136-R364 VanDerWaalsContact ND1-NH1 3.12Å
137P98Very high97.7Very high109 Ų10952 Ų5271%0.70829%0.288SS*.THydrogen-bonded Turntrans-53.6-36.4-174.8-29.535.3000115.3V139P137-V139 VanDerWaalsContact C-N 3.32Å; P137-V139 PolarHBondContact O-N 3.45Å
138D98.3Very high97.9Very high97 Ų9755.4 Ų55.452%0.51930%0.299SS..THydrogen-bonded Turntrans-810.3-179.3-59.2-25.5000115.9H136 R148H136-D138 VanDerWaalsContact C-N 3.25Å; H136-D138 IonicContact CE1-OD2 2.57Å; H136-D138 PolarHBondContact CE1-OD2 2.99Å; H136-D138 VanDerWaalsContact CE1-OD2 3.3Å; H136-D138 PolarHBondContact ND1-N 3.1Å; H136-D138 PolarHBondContact O-N 3.31Å; H136-D138 VanDerWaalsContact O-N 3.11Å; D138-R148 PolarHBondContact O-NH2 2.87Å
139V98.7Very high98Very high10 Ų1059 Ų596%0.06132%0.32CS..SBendtrans-63.3130.1178.7166.30000109.8T135 H136 P137 T355 L358 R364T135-V139 HydrophobicContact CG2-CB 3.71Å; T135-V139 HydrophobicContact CG2-CG1 3.94Å; T135-V139 HydrophobicContact CG2-CG2 3.93Å; H136-V139 HydrophobicContact CB-CG2 3.91Å; H136-V139 WeakPolarHBondContact O-CB 3.24Å; H136-V139 WeakPolarHBondContact O-CG2 3.24Å; H136-V139 PolarHBondContact O-N 3.03Å; P137-V139 VanDerWaalsContact C-N 3.32Å; P137-V139 PolarHBondContact O-N 3.45Å; V139-T355 HydrophobicContact CG1-CG2 3.62Å; V139-L358 HydrophobicContact CG1-CD1 4.03Å; V139-L358 HydrophobicContact CG1-CG 4.48Å; V139-L358 HydrophobicContact CG2-CD1 4.22Å; V139-R364 VanDerWaalsContact CG2-CD 3.46Å
140P98.6Very high98.1Very high20 Ų2061.7 Ų61.713%0.1334%0.337CS..PPolyproline II helixtrans-60.9140.2173.6-20.131.8000111.5Q146 R148 P354 T355P140-Q146 WeakPolarHBondContact CB-O 3.4Å; P140-R148 HydrophobicContact CG-CB 3.82Å; P140-P354 HydrophobicContact CB-CB 4.12Å; P140-P354 CarbonylContact O-C 3.41Å; P140-P354 WeakPolarHBondContact O-CA 3.34Å; P140-P354 VanDerWaalsContact O-CB 3.29Å; P140-P354 WeakPolarHBondContact O-CB 3.27Å; P140-T355 PolarHBondContact O-N 3.33Å
141V98.5Very high98.2Very high91 Ų9161.1 Ų61.155%0.55234%0.339SS*.PPolyproline II helixtrans-91.4129.9-179.4-179.70000110.3T355V141-T355 HydrophobicContact CG2-CG2 4.36Å
142G98.3Very high98.3Very high13 Ų1365.6 Ų65.613%0.13436%0.362CS..SBendtrans129.3-162171.500000114.4P354 T355 E356G142-P354 WeakPolarHBondContact O-CB 3.06Å; G142-T355 PolarHBondContact N-OG1 2.69Å; G142-T355 VanDerWaalsContact N-OG1 3.11Å; G142-E356 VanDerWaalsContact C-CD 3.44Å; G142-E356 WeakPolarHBondContact CA-OE1 3.35Å; G142-E356 VanDerWaalsContact O-CB 3.27Å; G142-E356 WeakPolarHBondContact O-CB 3.39Å; G142-E356 VanDerWaalsContact O-CG 3.23Å; G142-E356 WeakPolarHBondContact O-CG 3.38Å; G142-E356 PolarHBondContact O-N 2.97Å; G142-E356 VanDerWaalsContact O-N 3.14Å
143D98.2Very high98.3Very high73 Ų7365.9 Ų65.939%0.3936%0.363SS..SBendtrans-78.2175.5177.76831.1000112.5S145 Q146 P354 E356D143-S145 PolarHBondContact O-N 3.18Å; D143-S145 WeakPolarHBondContact OD1-CA 3.4Å; D143-S145 WeakPolarHBondContact OD1-CB 3.38Å; D143-S145 PolarHBondContact OD1-N 2.67Å; D143-S145 PolarHBondContact OD1-OG 3.27Å; D143-Q146 WeakPolarHBondContact O-CB 3.4Å; D143-Q146 PolarHBondContact O-N 2.8Å; D143-P354 WeakPolarHBondContact O-CG 3.47Å; D143-E356 PolarHBondContact N-OE1 3.49Å
144E96.9Very high98.2Very high114 Ų11468.3 Ų68.353%0.53339%0.39SS..G310 helixtrans-46-30.8178.3-167.3-174.8-177.300114.3Q146 A147 E357E144-Q146 PolarHBondContact O-N 3.02Å; E144-A147 VanDerWaalsContact O-CB 3.25Å; E144-A147 WeakPolarHBondContact O-CB 3.2Å; E144-A147 PolarHBondContact O-N 3.34Å; E144-A147 VanDerWaalsContact O-N 3.09Å; E144-E357 HydrophobicContact CB-CG 3.94Å; E144-E357 HydrophobicContact CG-CG 4.41Å
145S97.6Very high98.1Very high90 Ų9073.8 Ų73.863%0.62940%0.403SS*.G310 helixtrans-66.3-18.8178.677.70000113.6D143 A147D143-S145 PolarHBondContact O-N 3.18Å; D143-S145 WeakPolarHBondContact OD1-CA 3.4Å; D143-S145 WeakPolarHBondContact OD1-CB 3.38Å; D143-S145 PolarHBondContact OD1-N 2.67Å; D143-S145 PolarHBondContact OD1-OG 3.27Å; S145-A147 VanDerWaalsContact C-N 3.34Å
146Q98.5Very high98Very high102 Ų10276.7 Ų76.748%0.47741%0.413SS..G310 helixtrans-891.7177.2-55.4-53.7-61.400113.1P140 D143 E144 R148 P354P140-Q146 WeakPolarHBondContact CB-O 3.4Å; D143-Q146 WeakPolarHBondContact O-CB 3.4Å; D143-Q146 PolarHBondContact O-N 2.8Å; E144-Q146 PolarHBondContact O-N 3.02Å; Q146-R148 PolarHBondContact O-N 3.49Å; Q146-P354 HydrophobicContact CB-CB 4.11Å
147A98.6Very high97.8Very high22 Ų2276.8 Ų76.818%0.18242%0.419CS..  trans-55.1125.7174.500000110.9E144 S145 L351 M353E144-A147 VanDerWaalsContact O-CB 3.25Å; E144-A147 WeakPolarHBondContact O-CB 3.2Å; E144-A147 PolarHBondContact O-N 3.34Å; E144-A147 VanDerWaalsContact O-N 3.09Å; S145-A147 VanDerWaalsContact C-N 3.34Å; A147-L351 HydrophobicContact CB-CB 4.46Å; A147-L351 HydrophobicContact CB-CD1 4.36Å; A147-M353 HydrophobicContact CB-SD 4.22Å
148R98.8Very high97.7Very high116 Ų11680.2 Ų80.244%0.43843%0.426SS..EExtended strand (participates in β ladder)trans-90.3122.4-175.8174.5172.660.1-166-6.4109.7D138 P140 Q146 V150 L351 D352D138-R148 PolarHBondContact O-NH2 2.87Å; P140-R148 HydrophobicContact CG-CB 3.82Å; Q146-R148 PolarHBondContact O-N 3.49Å; R148-V150 PolarHBondContact O-N 2.98Å; R148-V150 VanDerWaalsContact O-N 3.16Å; R148-L351 CarbonylContact O-C 3.6Å; R148-L351 WeakPolarHBondContact O-CA 3.43Å; R148-D352 HydrophobicContact CB-CB 4.31Å; R148-D352 IonicContact CZ-OD2 2.77Å; R148-D352 PolarHBondContact N-O 3.43Å; R148-D352 IonicContact NE-OD2 3.28Å; R148-D352 IonicContact NH2-OD2 2.97Å; R148-D352 PolarHBondContact NH2-OD2 2.76Å; R148-D352 PolarHBondContact O-N 2.61Å
149V98.6Very high97.6Very high74 Ų7478.1 Ų78.145%0.44841%0.413SS..EExtended strand (participates in β ladder)trans-68.7111.2170.2-177.60000108.7R349 L351V149-R349 HydrophobicContact CG1-CB 4.33Å; V149-L351 HydrophobicContact CB-CD2 4.3Å; V149-L351 HydrophobicContact CG2-CD2 3.66Å
150V97.9Very high97.5Very high68 Ų6883.5 Ų83.541%0.41244%0.441SS..EExtended strand (participates in β ladder)trans-89.5-28.9177.2-58.70000111.8R148 V350 D352R148-V150 PolarHBondContact O-N 2.98Å; R148-V150 VanDerWaalsContact O-N 3.16Å; V150-V350 HydrophobicContact CG2-CB 3.52Å; V150-V350 HydrophobicContact CG2-CG1 3.42Å; V150-V350 VanDerWaalsContact CG2-CG1 3.42Å; V150-V350 WeakPolarHBondContact CG2-O 3.23Å; V150-V350 PolarHBondContact N-O 3.36Å; V150-D352 HydrophobicContact CG1-CB 3.63Å
151E98.4Very high97.5Very high76 Ų7684.4 Ų84.436%0.35544%0.443SS..EExtended strand (participates in β ladder)trans-155.9147.4-178.9-164.9175.2166.700111.7V153 K338 R349 V350E151-V153 HydrophobicContact CG-CG2 3.84Å; E151-K338 WeakPolarHBondContact OE1-CE 3.27Å; E151-K338 IonicContact OE1-NZ 2.76Å; E151-K338 PolarHBondContact OE1-NZ 3.49Å; E151-K338 VanDerWaalsContact OE2-CE 3.26Å; E151-K338 WeakPolarHBondContact OE2-CE 3.38Å; E151-K338 IonicContact OE2-NZ 2.99Å; E151-K338 PolarHBondContact OE2-NZ 3.4Å; E151-R349 CarbonylContact O-C 3.56Å; E151-R349 VanDerWaalsContact O-CA 3.29Å; E151-R349 WeakPolarHBondContact O-CA 3.43Å; E151-V350 HydrophobicContact CB-CB 4.18Å; E151-V350 HydrophobicContact CB-CG2 4.05Å; E151-V350 PolarHBondContact O-N 3.2Å
152L98.4Very high97.4Very high107 Ų10788.9 Ų88.956%0.5646%0.455SS*.EExtended strand (participates in β ladder)trans-126.6122.5173.5-176.170.2000108.7R349 Y378L152-R349 HydrophobicContact CD1-CB 3.98Å; L152-Y378 WeakPolarHBondContact CD1-OH 3.26Å
153V98.6Very high97.4Very high29 Ų2990 Ų9018%0.17646%0.46CS..EExtended strand (participates in β ladder)trans-122.8139.6-171.7-174.50000111.2E151 H347 Y348E151-V153 HydrophobicContact CG-CG2 3.84Å; V153-H347 WeakPolarHBondContact O-CA 3.47Å; V153-H347 PolarHBondContact O-ND1 3.45Å; V153-Y348 HydrophobicContact CB-CD1 4.35Å; V153-Y348 HydrophobicContact CB-CD2 4.17Å; V153-Y348 HydrophobicContact CB-CE1 3.86Å; V153-Y348 HydrophobicContact CB-CE2 3.65Å; V153-Y348 HydrophobicContact CB-CG 4.5Å; V153-Y348 VanDerWaalsContact CB-CZ 3.49Å; V153-Y348 HydrophobicContact CG1-CE1 3.88Å; V153-Y348 HydrophobicContact CG1-CE2 4.34Å; V153-Y348 HydrophobicContact CG2-CD2 4.33Å; V153-Y348 HydrophobicContact CG2-CE2 3.57Å; V153-Y348 PolarHBondContact N-O 3.25Å; V153-Y348 PolarHBondContact O-N 3.2Å; V153-Y348 VanDerWaalsContact O-N 3.12Å
154G96.6Very high97.4Very high58 Ų5888.7 Ų88.760%0.59845%0.449SS*.SBendtrans77-161.7179.800000113.2H347G154-H347 VanDerWaalsContact C-ND1 3.34Å; G154-H347 PolarHBondContact O-ND1 2.71Å
155R96Very high97.4Very high214 Ų21484.4 Ų84.481%0.80844%0.435SS*.  trans-140.1145.6178.662.4-178.5178.6178.20.2110.4A157 H347R155-A157 PolarHBondContact O-N 2.91Å; R155-H347 WeakPolarHBondContact O-CB 3.36Å
156K96.5Very high97.4Very high94 Ų9481 Ų8141%0.40941%0.41SS..PPolyproline II helixtrans-54.1133.8171.6-67.3-174.3-179.1-166.60109.5E158 H347 W371K156-E158 PolarHBondContact O-N 3.29Å; K156-H347 WeakPolarHBondContact CG-CD2 3.49Å; K156-H347 PolarHBondContact N-CD2 2.9Å; K156-W371 HydrophobicContact CD-CD2 4.14Å; K156-W371 HydrophobicContact CD-CZ2 4.14Å; K156-W371 HydrophobicContact CG-CD2 4.28Å; K156-W371 HydrophobicContact CG-CG 4.15Å
157A93.8Very high97.4Very high35 Ų3578 Ų7829%0.28940%0.398SS..PPolyproline II helixtrans-62.6134.3172.900000110R155 F159 T429R155-A157 PolarHBondContact O-N 2.91Å; A157-F159 HydrophobicContact CB-CD2 4.48Å; A157-F159 HydrophobicContact CB-CE1 4.48Å; A157-F159 HydrophobicContact CB-CE2 3.58Å; A157-F159 HydrophobicContact CB-CZ 3.59Å; A157-F159 WeakPolarHBondContact O-CE2 3.36Å; A157-T429 HydrophobicContact CB-CG2 4.28Å
158E95.2Very high97.3Very high182 Ų18281.5 Ų81.585%0.8541%0.411SS*.PPolyproline II helixtrans-97.8133.8177-67.3179.7-176.600109.4K156K156-E158 PolarHBondContact O-N 3.29Å
159F97.3Very high97.2Very high53 Ų5376.1 Ų76.123%0.23239%0.39CS..  trans-127.6135-178.1-57.5-84000109.6A157 F161 P163 P373 Q431A157-F159 HydrophobicContact CB-CD2 4.48Å; A157-F159 HydrophobicContact CB-CE1 4.48Å; A157-F159 HydrophobicContact CB-CE2 3.58Å; A157-F159 HydrophobicContact CB-CZ 3.59Å; A157-F159 WeakPolarHBondContact O-CE2 3.36Å; F159-F161 HydrophobicContact CB-CD1 4.21Å; F159-F161 HydrophobicContact CB-CE1 4.16Å; F159-F161 HydrophobicContact CB-CG 4.47Å; F159-F161 HydrophobicContact CB-CZ 4.39Å; F159-F161 WeakPolarHBondContact CB-O 3.47Å; F159-F161 AromaticContact CD1-CE1 3.72Å; F159-F161 HydrophobicContact CD1-CE1 3.72Å; F159-F161 HydrophobicContact CD1-CE2 4.05Å; F159-F161 AromaticContact CD1-CZ 3.41Å; F159-F161 HydrophobicContact CD1-CZ 3.41Å; F159-F161 VanDerWaalsContact CD1-CZ 3.41Å; F159-F161 HydrophobicContact CE1-CZ 4.07Å; F159-F161 HydrophobicContact CG-CE1 4.41Å; F159-F161 HydrophobicContact CG-CZ 4.27Å; F159-F161 PolarHBondContact O-N 3.22Å; F159-P163 HydrophobicContact CD2-CB 4.08Å; F159-P163 HydrophobicContact CD2-CG 4.26Å; F159-P163 HydrophobicContact CE2-CB 4.12Å; F159-P163 HydrophobicContact CG-CB 4.49Å; F159-P373 HydrophobicContact CE2-CB 3.77Å; F159-P373 HydrophobicContact CE2-CG 3.99Å; F159-P373 HydrophobicContact CZ-CB 4.26Å; F159-P373 HydrophobicContact CZ-CG 4.26Å; F159-Q431 HydrophobicContact CD1-CG 4.36Å; F159-Q431 HydrophobicContact CE1-CG 3.63Å; F159-Q431 HydrophobicContact CZ-CG 4.14Å
160D97.1Very high97.1Very high122 Ų12272.6 Ų72.665%0.65237%0.369SS*.SBendtrans-80.910.4168.173.6-45.2000112.1K433D160-K433 IonicContact OD2-NZ 3.34Å; D160-K433 PolarHBondContact OD2-NZ 3.04Å
161F97.4Very high97Very high40 Ų4072.3 Ų72.318%0.17536%0.363CS..SBendtrans-141.2163.5178.162.4-85.2000110.4F159 P163 Q431 T432 K433F159-F161 HydrophobicContact CB-CD1 4.21Å; F159-F161 HydrophobicContact CB-CE1 4.16Å; F159-F161 HydrophobicContact CB-CG 4.47Å; F159-F161 HydrophobicContact CB-CZ 4.39Å; F159-F161 WeakPolarHBondContact CB-O 3.47Å; F159-F161 AromaticContact CD1-CE1 3.72Å; F159-F161 HydrophobicContact CD1-CE1 3.72Å; F159-F161 HydrophobicContact CD1-CE2 4.05Å; F159-F161 AromaticContact CD1-CZ 3.41Å; F159-F161 HydrophobicContact CD1-CZ 3.41Å; F159-F161 VanDerWaalsContact CD1-CZ 3.41Å; F159-F161 HydrophobicContact CE1-CZ 4.07Å; F159-F161 HydrophobicContact CG-CE1 4.41Å; F159-F161 HydrophobicContact CG-CZ 4.27Å; F159-F161 PolarHBondContact O-N 3.22Å; F161-P163 WeakPolarHBondContact O-CD 3.42Å; F161-Q431 HydrophobicContact CE2-CG 4.06Å; F161-Q431 HydrophobicContact CZ-CG 4.04Å; F161-T432 VanDerWaalsContact CZ-C 3.41Å; F161-K433 HydrophobicContact CD1-CB 3.86Å; F161-K433 HydrophobicContact CD1-CG 4.17Å; F161-K433 HydrophobicContact CE1-CB 3.98Å; F161-K433 HydrophobicContact CG-CG 4.48Å
162K97.4Very high96.8Very high185 Ų18570.9 Ų70.980%0.80436%0.364SS*.PPolyproline II helixtrans-70118174.7-176.6177.6179.1179.40110
163P97.8Very high96.8Very high36 Ų3666 Ų6623%0.23434%0.339CS..PPolyproline II helixtrans-63.2138.5178.326.6-34000110.5F159 F161 P373F159-P163 HydrophobicContact CD2-CB 4.08Å; F159-P163 HydrophobicContact CD2-CG 4.26Å; F159-P163 HydrophobicContact CE2-CB 4.12Å; F159-P163 HydrophobicContact CG-CB 4.49Å; F161-P163 WeakPolarHBondContact O-CD 3.42Å; P163-P373 HydrophobicContact CB-CB 3.91Å; P163-P373 HydrophobicContact CG-CB 4.2Å
164R97.8Very high96.7Very high46 Ų4665.8 Ų65.817%0.17434%0.342CS..PPolyproline II helixtrans-90.3151.9177.7-63.3171-176.794.34.6110.2E168 L169 Q431R164-E168 WeakPolarHBondContact CD-OE1 3.31Å; R164-E168 IonicContact NE-OE1 3.63Å; R164-E168 PolarHBondContact NE-OE1 3.15Å; R164-L169 HydrophobicContact CB-CD1 4.23Å; R164-L169 HydrophobicContact CB-CD2 4.1Å; R164-L169 HydrophobicContact CB-CG 3.86Å; R164-Q431 PolarHBondContact O-NE2 3.11Å
165G97.8Very high96.7Very high23 Ų2363.2 Ų63.224%0.23731%0.314CS..PPolyproline II helixtrans-72.9153.4171.100000112.3V167 E168 L169 E428G165-V167 PolarHBondContact O-N 3.16Å; G165-V167 VanDerWaalsContact O-N 3.13Å; G165-E168 PolarHBondContact O-N 3.44Å; G165-E168 VanDerWaalsContact O-N 3.13Å; G165-L169 PolarHBondContact O-N 3.06Å; G165-L169 VanDerWaalsContact O-N 3.14Å; G165-E428 WeakPolarHBondContact CA-OE1 3.26Å
166H97.9Very high96.8Very high20 Ų2053.5 Ų53.59%0.09328%0.278CS..Hα-helixtrans-57.5-27.8-179.165.9-81000114.1G170 G302 L303 I424 L427 E428H166-G170 WeakPolarHBondContact O-CA 3.34Å; H166-G170 PolarHBondContact O-N 3.4Å; H166-G302 WeakPolarHBondContact NE2-CA 3.5Å; H166-L303 PolarHBondContact NE2-N 3.06Å; H166-I424 HydrophobicContact CB-CB 4.39Å; H166-I424 HydrophobicContact CB-CG1 4.29Å; H166-I424 HydrophobicContact CB-CG2 4.17Å; H166-L427 HydrophobicContact CB-CB 4.37Å; H166-L427 HydrophobicContact CB-CD1 4.2Å; H166-E428 HydrophobicContact CB-CG 4.03Å; H166-E428 IonicContact CG-OE1 3.53Å; H166-E428 PolarHBondContact N-OE1 3.2Å; H166-E428 IonicContact ND1-OE1 2.73Å; H166-E428 PolarHBondContact ND1-OE1 3.4Å
167V96.8Very high96.9Very high37 Ų3753.9 Ų53.922%0.22428%0.277CS..Hα-helixtrans-67.4-48.5176.6-178.40000110.6G165 G170 E171 G302G165-V167 PolarHBondContact O-N 3.16Å; G165-V167 VanDerWaalsContact O-N 3.13Å; V167-G170 PolarHBondContact O-N 3.35Å; V167-E171 WeakPolarHBondContact O-CB 3.3Å; V167-E171 WeakPolarHBondContact O-CG 3.43Å; V167-E171 PolarHBondContact O-N 2.91Å; V167-G302 VanDerWaalsContact CG2-CA 3.44Å
168E96.5Very high97.1Very high97 Ų9752.8 Ų52.845%0.45327%0.266SS..Hα-helixtrans-61.9-47.2178.4-176.1-173156.900110.7R164 G165 A172R164-E168 WeakPolarHBondContact CD-OE1 3.31Å; R164-E168 IonicContact NE-OE1 3.63Å; R164-E168 PolarHBondContact NE-OE1 3.15Å; G165-E168 PolarHBondContact O-N 3.44Å; G165-E168 VanDerWaalsContact O-N 3.13Å; E168-A172 VanDerWaalsContact O-CB 3.3Å; E168-A172 WeakPolarHBondContact O-CB 3.32Å; E168-A172 PolarHBondContact O-N 3.36Å
169L96.6Very high97.1Very high2 Ų251 Ų511%0.0125%0.252CS..Hα-helixtrans-62.8-47.8177.5-69.7169.5000111.5R164 G165 E171 A172 L173 L427 Q431R164-L169 HydrophobicContact CB-CD1 4.23Å; R164-L169 HydrophobicContact CB-CD2 4.1Å; R164-L169 HydrophobicContact CB-CG 3.86Å; G165-L169 PolarHBondContact O-N 3.06Å; G165-L169 VanDerWaalsContact O-N 3.14Å; L169-E171 PolarHBondContact O-N 3.42Å; L169-A172 PolarHBondContact O-N 3.27Å; L169-L173 VanDerWaalsContact O-CB 3.3Å; L169-L173 WeakPolarHBondContact O-CB 3.36Å; L169-L173 WeakPolarHBondContact O-CG 3.34Å; L169-L173 PolarHBondContact O-N 2.8Å; L169-L427 HydrophobicContact CD1-CB 4.45Å; L169-L427 WeakPolarHBondContact CD1-O 3.38Å; L169-Q431 HydrophobicContact CD1-CB 3.96Å; L169-Q431 HydrophobicContact CD2-CB 4.39Å
170G97.3Very high97Very high0 Ų053.5 Ų53.50%026%0.264CS..Hα-helixtrans-61.9-39.4-179.100000113.1H166 V167 G174 L175 I176H166-G170 WeakPolarHBondContact O-CA 3.34Å; H166-G170 PolarHBondContact O-N 3.4Å; V167-G170 PolarHBondContact O-N 3.35Å; G170-G174 CarbonylContact O-C 3.53Å; G170-G174 PolarHBondContact O-N 2.93Å; G170-G174 VanDerWaalsContact O-N 3.16Å; G170-L175 PolarHBondContact O-N 3.49Å; G170-I176 PolarHBondContact O-N 2.81Å; G170-I176 VanDerWaalsContact O-N 3.15Å
171E95.8Very high97Very high63 Ų6347.9 Ų47.929%0.29423%0.234SC..Hα-helixtrans-69.3-45.7174.1-72.2-171.4154.900111.4V167 L169 L173 G174 R179V167-E171 WeakPolarHBondContact O-CB 3.3Å; V167-E171 WeakPolarHBondContact O-CG 3.43Å; V167-E171 PolarHBondContact O-N 2.91Å; L169-E171 PolarHBondContact O-N 3.42Å; E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 3.29Å; E171-G174 PolarHBondContact O-N 2.95Å; E171-G174 VanDerWaalsContact O-N 3.11Å; E171-R179 WeakPolarHBondContact OE1-CD 3.31Å; E171-R179 WeakPolarHBondContact OE1-CG 3.13Å; E171-R179 IonicContact OE1-CZ 3.71Å; E171-R179 IonicContact OE1-NE 2.78Å; E171-R179 PolarHBondContact OE1-NE 2.76Å; E171-R179 IonicContact OE1-NH2 3.72Å; E171-R179 IonicContact OE2-CZ 3.55Å; E171-R179 IonicContact OE2-NE 3.29Å; E171-R179 PolarHBondContact OE2-NE 3.1Å; E171-R179 IonicContact OE2-NH2 2.93Å; E171-R179 PolarHBondContact OE2-NH2 2.83Å
172A94.8Very high96.9Very high46 Ų4648.7 Ų48.738%0.3825%0.245SC..Hα-helixtrans-63.5-37.1-178.500000113E168 L169 G174E168-A172 VanDerWaalsContact O-CB 3.3Å; E168-A172 WeakPolarHBondContact O-CB 3.32Å; E168-A172 PolarHBondContact O-N 3.36Å; L169-A172 PolarHBondContact O-N 3.27Å; A172-G174 VanDerWaalsContact C-N 3.33Å
173L96.9Very high96.9Very high5 Ų548.6 Ų48.63%0.02625%0.246CC..THydrogen-bonded Turntrans-87.70.6177.2-68.1170000112.9L169 E171 L175 R435 V437 I452 E453 P455L169-L173 VanDerWaalsContact O-CB 3.3Å; L169-L173 WeakPolarHBondContact O-CB 3.36Å; L169-L173 WeakPolarHBondContact O-CG 3.34Å; L169-L173 PolarHBondContact O-N 2.8Å; E171-L173 VanDerWaalsContact C-N 3.32Å; E171-L173 PolarHBondContact O-N 3.29Å; L173-L175 HydrophobicContact CB-CD1 3.77Å; L173-L175 HydrophobicContact CB-CD2 4.07Å; L173-L175 HydrophobicContact CB-CG 3.54Å; L173-L175 HydrophobicContact CD1-CD1 3.93Å; L173-L175 PolarHBondContact O-N 2.94Å; L173-R435 WeakPolarHBondContact CD2-O 3.49Å; L173-V437 HydrophobicContact CD1-CG2 3.84Å; L173-I452 HydrophobicContact CD1-CG2 4.23Å; L173-E453 VanDerWaalsContact CD2-C 3.45Å; L173-P455 VanDerWaalsContact O-CD 3.25Å; L173-P455 WeakPolarHBondContact O-CD 3.27Å
174G96.4Very high96.9Very high23 Ų2351.3 Ų51.324%0.23726%0.262CS..THydrogen-bonded Turntrans62.524.7-179.500000114.4G170 E171 A172 Y457G170-G174 CarbonylContact O-C 3.53Å; G170-G174 PolarHBondContact O-N 2.93Å; G170-G174 VanDerWaalsContact O-N 3.16Å; E171-G174 PolarHBondContact O-N 2.95Å; E171-G174 VanDerWaalsContact O-N 3.11Å; A172-G174 VanDerWaalsContact C-N 3.33Å; G174-Y457 PolarHBondContact O-OH 3.2Å
175L97.8Very high96.8Very high4 Ų451.9 Ų51.92%0.02127%0.273CS..  trans-85.8-40.9-177.5-48.6177.4000112G170 L173 L192 R193 A195 L427 I452G170-L175 PolarHBondContact O-N 3.49Å; L173-L175 HydrophobicContact CB-CD1 3.77Å; L173-L175 HydrophobicContact CB-CD2 4.07Å; L173-L175 HydrophobicContact CB-CG 3.54Å; L173-L175 HydrophobicContact CD1-CD1 3.93Å; L173-L175 PolarHBondContact O-N 2.94Å; L175-L192 CarbonylContact O-C 3.58Å; L175-L192 VanDerWaalsContact O-CA 3.24Å; L175-L192 WeakPolarHBondContact O-CA 3.46Å; L175-R193 PolarHBondContact O-N 3.05Å; L175-A195 HydrophobicContact CD2-CB 3.68Å; L175-L427 HydrophobicContact CD1-CD1 4.39Å; L175-L427 HydrophobicContact CD1-CD2 3.66Å; L175-I452 HydrophobicContact CD1-CG2 4.05Å; L175-I452 HydrophobicContact CD2-CG2 3.81Å
176I98.3Very high96.7Very high10 Ų1052 Ų525%0.05128%0.275CS..EExtended strand (participates in β ladder)trans-122135.8-171.6-61.8166.9000108.9G170 Q178 Y191 L192 L303 I423 L427G170-I176 PolarHBondContact O-N 2.81Å; G170-I176 VanDerWaalsContact O-N 3.15Å; I176-Q178 HydrophobicContact CG2-CG 4.3Å; I176-Y191 WeakPolarHBondContact CA-O 3.38Å; I176-L192 HydrophobicContact CG1-CD2 3.76Å; I176-L303 HydrophobicContact CD1-CD1 3.56Å; I176-L303 HydrophobicContact CD1-CG 4.19Å; I176-L303 HydrophobicContact CG1-CD1 4.16Å; I176-L303 HydrophobicContact CG2-CD2 4.39Å; I176-I423 HydrophobicContact CD1-CG2 4.28Å; I176-L427 HydrophobicContact CD1-CD1 3.99Å
177R97.9Very high96.5Very high102 Ų10258.2 Ų58.239%0.38530%0.303SS..EExtended strand (participates in β ladder)trans-129122.9169175.5-173172.8-165.9-3.5110.3R179 L181 Y190 Y191R177-R179 PolarHBondContact NE-O 3.29Å; R177-L181 WeakPolarHBondContact O-CD1 3.49Å; R177-Y190 WeakPolarHBondContact O-CA 3.29Å; R177-Y191 PolarHBondContact N-O 2.74Å; R177-Y191 PolarHBondContact O-N 2.91Å
178Q97.2Very high96.4Very high12 Ų1257.9 Ų57.96%0.05630%0.298CS..  trans-122.3-15.5168.3-65.9-174.4-57.100113.1I176 W301 G302I176-Q178 HydrophobicContact CG2-CG 4.3Å; Q178-W301 HydrophobicContact CB-CE3 3.93Å; Q178-W301 HydrophobicContact CB-CZ3 3.84Å; Q178-G302 PolarHBondContact NE2-O 2.59Å
179R95.3Very high96.4Very high145 Ų14553.7 Ų53.755%0.54728%0.279SS..THydrogen-bonded Turntrans-70.7142.5-179.4-62.9-172.9-170.6-127.44.7112.4E171 R177 W301E171-R179 WeakPolarHBondContact OE1-CD 3.31Å; E171-R179 WeakPolarHBondContact OE1-CG 3.13Å; E171-R179 IonicContact OE1-CZ 3.71Å; E171-R179 IonicContact OE1-NE 2.78Å; E171-R179 PolarHBondContact OE1-NE 2.76Å; E171-R179 IonicContact OE1-NH2 3.72Å; E171-R179 IonicContact OE2-CZ 3.55Å; E171-R179 IonicContact OE2-NE 3.29Å; E171-R179 PolarHBondContact OE2-NE 3.1Å; E171-R179 IonicContact OE2-NH2 2.93Å; E171-R179 PolarHBondContact OE2-NH2 2.83Å; R177-R179 PolarHBondContact NE-O 3.29Å; R179-W301 HydrophobicContact CG-CZ3 4.43Å
180H95.5Very high96.5Very high106 Ų10654.1 Ų54.149%0.49128%0.281SS..THydrogen-bonded Turntrans58.241.3178.4-53-73.3000113.7
181L97Very high96.6Very high4 Ų459.7 Ų59.72%0.02130%0.303CS..  trans-112.4-6.6179.1-62.4-173.4000114.7R177 H183 V184 S185 G186 Y191R177-L181 WeakPolarHBondContact O-CD1 3.49Å; L181-H183 VanDerWaalsContact C-N 3.28Å; L181-H183 PolarHBondContact O-N 3.12Å; L181-V184 HydrophobicContact CD2-CB 4.31Å; L181-V184 HydrophobicContact CD2-CG2 4.46Å; L181-V184 PolarHBondContact O-N 3.44Å; L181-S185 PolarHBondContact O-N 2.88Å; L181-G186 PolarHBondContact O-N 3.36Å; L181-Y191 HydrophobicContact CD1-CD2 3.84Å; L181-Y191 HydrophobicContact CD1-CE2 4.12Å; L181-Y191 HydrophobicContact CD2-CD2 4.05Å; L181-Y191 HydrophobicContact CD2-CE2 3.76Å
182S96.3Very high96.7Very high57 Ų5758.1 Ų58.140%0.39930%0.296SS..THydrogen-bonded Turntrans-53.6-42.7-176.357.40000113.2G186S182-G186 WeakPolarHBondContact O-CA 3.1Å; S182-G186 PolarHBondContact O-N 3.12Å
183H96.3Very high96.9Very high182 Ų18261 Ų6184%0.84330%0.297SS*.THydrogen-bonded Turntrans-98.515.2178.1-53.1-65.5000113.5L181L181-H183 VanDerWaalsContact C-N 3.28Å; L181-H183 PolarHBondContact O-N 3.12Å
184V98Very high96.8Very high94 Ų9462.4 Ų62.457%0.5731%0.313SS*.THydrogen-bonded Turntrans-111.8-59.3176-176.20000109.2L181L181-V184 HydrophobicContact CD2-CB 4.31Å; L181-V184 HydrophobicContact CD2-CG2 4.46Å; L181-V184 PolarHBondContact O-N 3.44Å
185S97.3Very high96.9Very high57 Ų5762.3 Ų62.340%0.39931%0.31SS..THydrogen-bonded Turntrans-135.86.2-172.448.70000112.9L181 S189L181-S185 PolarHBondContact O-N 2.88Å; S185-S189 WeakPolarHBondContact CB-OG 3.14Å; S185-S189 WeakPolarHBondContact O-CB 3.35Å; S185-S189 PolarHBondContact O-OG 3.39Å; S185-S189 WeakPolarHBondContact OG-CB 3.46Å; S185-S189 PolarHBondContact OG-OG 3.3Å
186G95.4Very high96.9Very high26 Ų2662.2 Ų62.227%0.26831%0.31SS..  trans81.6179.1178.600000114.4L181 S182 S189L181-G186 PolarHBondContact O-N 3.36Å; S182-G186 WeakPolarHBondContact O-CA 3.1Å; S182-G186 PolarHBondContact O-N 3.12Å; G186-S189 PolarHBondContact O-OG 2.76Å
187H93.6Very high96.9Very high150 Ų15063.4 Ų63.469%0.69432%0.322SS*.THydrogen-bonded Turntrans-65.4156.5177.2-61.9-71.4000111.6S189 H307H187-S189 PolarHBondContact O-N 3.37Å; H187-H307 PolarHBondContact O-CD2 3.48Å; H187-H307 VanDerWaalsContact O-CD2 3.26Å
188R94.3Very high96.9Very high31 Ų3164.1 Ų64.112%0.11732%0.324CS..THydrogen-bonded Turntrans54.98.7179.8-59.5-173.8-71.6-167.9-7.7115.9E293 R305 V306 H307R188-E293 VanDerWaalsContact NH1-CB 3.32Å; R188-E293 PolarHBondContact NH1-O 2.64Å; R188-E293 PolarHBondContact NH2-O 2.85Å; R188-R305 WeakPolarHBondContact CD-O 3.14Å; R188-V306 WeakPolarHBondContact O-CG1 3.3Å; R188-H307 PolarHBondContact NE-NE2 3.11Å; R188-H307 VanDerWaalsContact NE-NE2 3.2Å; R188-H307 PolarHBondContact NH2-CE1 3.39Å; R188-H307 PolarHBondContact NH2-NE2 3.4Å
189S97.4Very high97Very high8 Ų863.6 Ų63.66%0.05632%0.322CS..  trans-80.3153167680000110S185 G186 H187S185-S189 WeakPolarHBondContact CB-OG 3.14Å; S185-S189 WeakPolarHBondContact O-CB 3.35Å; S185-S189 PolarHBondContact O-OG 3.39Å; S185-S189 WeakPolarHBondContact OG-CB 3.46Å; S185-S189 PolarHBondContact OG-OG 3.3Å; G186-S189 PolarHBondContact O-OG 2.76Å; H187-S189 PolarHBondContact O-N 3.37Å
190Y98.5Very high97.1Very high12 Ų1258.3 Ų58.35%0.04730%0.303CS..  trans-145.2159.4178.663.7-87.3000111.3R177 L192 L303 V306 H308R177-Y190 WeakPolarHBondContact O-CA 3.29Å; Y190-L192 HydrophobicContact CD2-CD2 4.16Å; Y190-L192 HydrophobicContact CD2-CG 3.96Å; Y190-L192 HydrophobicContact CE2-CD1 4.12Å; Y190-L192 HydrophobicContact CE2-CD2 4.3Å; Y190-L192 HydrophobicContact CE2-CG 3.83Å; Y190-L303 HydrophobicContact CD1-CD2 3.63Å; Y190-L303 HydrophobicContact CD2-CD2 3.83Å; Y190-L303 HydrophobicContact CE1-CD2 4.09Å; Y190-L303 HydrophobicContact CE2-CD2 4.29Å; Y190-L303 HydrophobicContact CG-CD2 3.48Å; Y190-L303 VanDerWaalsContact CG-CD2 3.48Å; Y190-V306 HydrophobicContact CD1-CB 4.23Å; Y190-V306 HydrophobicContact CD1-CG1 3.92Å; Y190-V306 HydrophobicContact CE1-CB 3.97Å; Y190-V306 HydrophobicContact CE1-CG1 4.01Å; Y190-V306 HydrophobicContact CE1-CG2 3.86Å; Y190-H308 AromaticContact CD1-NE2 3.99Å; Y190-H308 AromaticContact CE1-CE1 3.77Å; Y190-H308 VanDerWaalsContact CE1-O 3.23Å; Y190-H308 WeakPolarHBondContact CE1-O 3.31Å; Y190-H308 AromaticContact CZ-CE1 3.86Å; Y190-H308 PolarHBondContact OH-O 3.03Å
191Y98.7Very high97.3Very high116 Ų11657.7 Ų57.746%0.45530%0.303SS..EExtended strand (participates in β ladder)trans-112.9141.1162-73.5-96.5000109.7I176 R177 L181I176-Y191 WeakPolarHBondContact CA-O 3.38Å; R177-Y191 PolarHBondContact N-O 2.74Å; R177-Y191 PolarHBondContact O-N 2.91Å; L181-Y191 HydrophobicContact CD1-CD2 3.84Å; L181-Y191 HydrophobicContact CD1-CE2 4.12Å; L181-Y191 HydrophobicContact CD2-CD2 4.05Å; L181-Y191 HydrophobicContact CD2-CE2 3.76Å
192L98.6Very high97.3Very high30 Ų3057.6 Ų57.616%0.15730%0.303CS..EExtended strand (participates in β ladder)trans-101.3138.1162.6-62.3178.8000110L175 I176 Y190 A197 Q200 I423L175-L192 CarbonylContact O-C 3.58Å; L175-L192 VanDerWaalsContact O-CA 3.24Å; L175-L192 WeakPolarHBondContact O-CA 3.46Å; I176-L192 HydrophobicContact CG1-CD2 3.76Å; Y190-L192 HydrophobicContact CD2-CD2 4.16Å; Y190-L192 HydrophobicContact CD2-CG 3.96Å; Y190-L192 HydrophobicContact CE2-CD1 4.12Å; Y190-L192 HydrophobicContact CE2-CD2 4.3Å; Y190-L192 HydrophobicContact CE2-CG 3.83Å; L192-A197 HydrophobicContact CB-CB 4.31Å; L192-Q200 HydrophobicContact CD1-CB 3.85Å; L192-I423 HydrophobicContact CD1-CD1 3.55Å; L192-I423 HydrophobicContact CD2-CD1 4.16Å
193R97.8Very high97.5Very high106 Ų10654.9 Ų54.940%0.428%0.284SS..  trans-136.9147-177.3-175.7-178.4179.1-170.1-2.1111.8L175 A195 G196 Y457L175-R193 PolarHBondContact O-N 3.05Å; R193-A195 PolarHBondContact O-N 3.15Å; R193-G196 PolarHBondContact O-N 2.76Å; R193-Y457 VanDerWaalsContact NH2-CD2 3.27Å
194G96.3Very high97.6Very high35 Ų3547.5 Ų47.536%0.36125%0.249SC..THydrogen-bonded Turntrans58.5-124.3174.100000111.3G196 A197 R198G194-G196 PolarHBondContact O-N 2.93Å; G194-A197 PolarHBondContact O-N 2.89Å; G194-R198 WeakPolarHBondContact O-CG 3.44Å; G194-R198 PolarHBondContact O-N 2.79Å; G194-R198 VanDerWaalsContact O-N 3.08Å
195A97.2Very high97.6Very high22 Ų2246.3 Ų46.318%0.18224%0.24CC..Hα-helixtrans-60.7-26.317700000113.2L175 R193 R198 L199 I452L175-A195 HydrophobicContact CD2-CB 3.68Å; R193-A195 PolarHBondContact O-N 3.15Å; A195-R198 PolarHBondContact O-N 3.26Å; A195-L199 VanDerWaalsContact O-CB 3.24Å; A195-L199 WeakPolarHBondContact O-CB 3.48Å; A195-L199 PolarHBondContact O-N 3.48Å; A195-I452 HydrophobicContact CB-CG1 4.28Å; A195-I452 HydrophobicContact CB-CG2 3.78Å
196G97.8Very high97.7Very high1 Ų144.3 Ų44.31%0.0122%0.224CC..Hα-helixtrans-67.8-42.8175.300000112.5R193 G194 L199 Q200R193-G196 PolarHBondContact O-N 2.76Å; G194-G196 PolarHBondContact O-N 2.93Å; G196-L199 PolarHBondContact O-N 2.94Å; G196-Q200 PolarHBondContact O-N 3.02Å
197A98.3Very high97.8Very high36 Ų3643 Ų4330%0.29821%0.211SC..Hα-helixtrans-68.1-40175.700000111.4L192 G194 L199 Q200 I201L192-A197 HydrophobicContact CB-CB 4.31Å; G194-A197 PolarHBondContact O-N 2.89Å; A197-L199 VanDerWaalsContact C-N 3.33Å; A197-L199 PolarHBondContact O-N 3.29Å; A197-Q200 PolarHBondContact O-N 3.48Å; A197-I201 PolarHBondContact O-N 2.82Å
198R98.1Very high98.1Very high117 Ų11737.3 Ų37.344%0.44219%0.185SC..Hα-helixtrans-64.5-37174.6-66.3178.972.6-164.96.2112.2G194 A195 I201 A202 L447G194-R198 WeakPolarHBondContact O-CG 3.44Å; G194-R198 PolarHBondContact O-N 2.79Å; G194-R198 VanDerWaalsContact O-N 3.08Å; A195-R198 PolarHBondContact O-N 3.26Å; R198-I201 PolarHBondContact O-N 2.98Å; R198-A202 WeakPolarHBondContact O-CB 3.3Å; R198-A202 PolarHBondContact O-N 3Å; R198-L447 PolarHBondContact NH1-O 3.15Å; R198-L447 PolarHBondContact NH2-O 2.91Å
199L98.6Very high98.3Very high1 Ų139 Ų391%0.00520%0.197CC..Hα-helixtrans-63.1-41.7176.7179.159000111.7A195 G196 A197 A202 L203 I423 I426 L443 L447A195-L199 VanDerWaalsContact O-CB 3.24Å; A195-L199 WeakPolarHBondContact O-CB 3.48Å; A195-L199 PolarHBondContact O-N 3.48Å; G196-L199 PolarHBondContact O-N 2.94Å; A197-L199 VanDerWaalsContact C-N 3.33Å; A197-L199 PolarHBondContact O-N 3.29Å; L199-A202 PolarHBondContact O-N 3.05Å; L199-L203 HydrophobicContact CD1-CD1 4.2Å; L199-L203 HydrophobicContact CD1-CG 4.27Å; L199-L203 HydrophobicContact CG-CD1 4.14Å; L199-L203 WeakPolarHBondContact O-CB 3.49Å; L199-L203 WeakPolarHBondContact O-CG 3.47Å; L199-L203 PolarHBondContact O-N 3.3Å; L199-I423 HydrophobicContact CD2-CG1 4Å; L199-I423 HydrophobicContact CD2-CG2 4.4Å; L199-I423 HydrophobicContact CG-CG1 4.25Å; L199-I426 HydrophobicContact CD1-CD1 4.2Å; L199-I426 HydrophobicContact CD2-CG2 4.35Å; L199-L443 HydrophobicContact CD1-CD1 3.93Å; L199-L447 HydrophobicContact CB-CD2 4.22Å; L199-L447 HydrophobicContact CD1-CD1 3.96Å; L199-L447 HydrophobicContact CD1-CD2 4.11Å
200Q98.7Very high98.3Very high34 Ų3439 Ų3916%0.15920%0.196CC..Hα-helixtrans-58-53172.6163.1166.7-44.900111.4L192 G196 A197 A202 L203 Q204 N310 I419L192-Q200 HydrophobicContact CD1-CB 3.85Å; G196-Q200 PolarHBondContact O-N 3.02Å; A197-Q200 PolarHBondContact O-N 3.48Å; Q200-A202 VanDerWaalsContact C-N 3.28Å; Q200-A202 PolarHBondContact O-N 3.02Å; Q200-L203 PolarHBondContact O-N 3.46Å; Q200-Q204 WeakPolarHBondContact O-CG 3.09Å; Q200-Q204 PolarHBondContact O-N 3.28Å; Q200-N310 PolarHBondContact NE2-OD1 2.54Å; Q200-I419 HydrophobicContact CB-CG2 3.76Å; Q200-I419 HydrophobicContact CG-CG1 4.4Å; Q200-I419 HydrophobicContact CG-CG2 3.77Å
201I98.4Very high98.3Very high93 Ų9338.4 Ų38.448%0.47719%0.194SC..Hα-helixtrans-60.5-41.5-179.1-66.6164.2000110.7A197 R198 Q204 N205A197-I201 PolarHBondContact O-N 2.82Å; R198-I201 PolarHBondContact O-N 2.98Å; I201-Q204 PolarHBondContact O-N 3.35Å; I201-N205 WeakPolarHBondContact O-CB 3.45Å; I201-N205 PolarHBondContact O-N 3.29Å
202A98.6Very high98.3Very high2 Ų237 Ų372%0.01719%0.192CC..Hα-helixtrans-64.5-41.2178.600000113.1R198 L199 Q200 N205 F206 L443 L447R198-A202 WeakPolarHBondContact O-CB 3.3Å; R198-A202 PolarHBondContact O-N 3Å; L199-A202 PolarHBondContact O-N 3.05Å; Q200-A202 VanDerWaalsContact C-N 3.28Å; Q200-A202 PolarHBondContact O-N 3.02Å; A202-N205 PolarHBondContact O-N 2.77Å; A202-F206 WeakPolarHBondContact O-CB 3.28Å; A202-F206 PolarHBondContact O-N 3.28Å; A202-L443 HydrophobicContact CB-CD2 4.49Å; A202-L447 HydrophobicContact CB-CD1 3.19Å; A202-L447 HydrophobicContact CB-CG 3.81Å
203L98.8Very high98.3Very high0 Ų044.1 Ų44.10%022%0.216CC..Hα-helixtrans-63.8-42.3174.7-80.7166000111.9L199 Q200 A207 L344 I419 M422 I423 I426 L443L199-L203 HydrophobicContact CD1-CD1 4.2Å; L199-L203 HydrophobicContact CD1-CG 4.27Å; L199-L203 HydrophobicContact CG-CD1 4.14Å; L199-L203 WeakPolarHBondContact O-CB 3.49Å; L199-L203 WeakPolarHBondContact O-CG 3.47Å; L199-L203 PolarHBondContact O-N 3.3Å; Q200-L203 PolarHBondContact O-N 3.46Å; L203-A207 PolarHBondContact O-N 3.29Å; L203-A207 VanDerWaalsContact O-N 3.07Å; L203-L344 HydrophobicContact CD2-CD1 4.02Å; L203-L344 HydrophobicContact CD2-CD2 4.44Å; L203-I419 HydrophobicContact CB-CD1 3.47Å; L203-I419 VanDerWaalsContact CB-CD1 3.47Å; L203-I419 HydrophobicContact CD1-CD1 4.23Å; L203-I419 HydrophobicContact CG-CD1 4.49Å; L203-M422 HydrophobicContact CD1-CB 3.95Å; L203-M422 HydrophobicContact CD2-CB 4.36Å; L203-I423 HydrophobicContact CD1-CG1 4.17Å; L203-I426 HydrophobicContact CD1-CD1 4.14Å; L203-I426 HydrophobicContact CD2-CD1 3.78Å; L203-I426 HydrophobicContact CG-CD1 4.31Å; L203-L443 HydrophobicContact CD2-CD1 3.99Å; L203-L443 HydrophobicContact CD2-CD2 4.18Å; L203-L443 HydrophobicContact CG-CD1 4.35Å; L203-L443 HydrophobicContact CG-CD2 4.49Å
204Q98.7Very high98.3Very high26 Ų2645.3 Ų45.312%0.12122%0.221CC..Hα-helixtrans-61.1-50.6176-68.8175.6-84.200110.9Q200 I201 F206 A207 L208 S286 V312 I419Q200-Q204 WeakPolarHBondContact O-CG 3.09Å; Q200-Q204 PolarHBondContact O-N 3.28Å; I201-Q204 PolarHBondContact O-N 3.35Å; Q204-F206 PolarHBondContact O-N 2.98Å; Q204-A207 PolarHBondContact O-N 2.91Å; Q204-L208 WeakPolarHBondContact O-CB 3.38Å; Q204-L208 VanDerWaalsContact O-CG 3.28Å; Q204-L208 WeakPolarHBondContact O-CG 3.16Å; Q204-L208 PolarHBondContact O-N 3.45Å; Q204-S286 PolarHBondContact NE2-OG 3.23Å; Q204-V312 HydrophobicContact CB-CG2 4.25Å; Q204-V312 HydrophobicContact CG-CG2 4.23Å; Q204-I419 HydrophobicContact CG-CD1 3.73Å; Q204-I419 HydrophobicContact CG-CG1 4.11Å
205N98.7Very high98.4Very high70 Ų7046.4 Ų46.437%0.37423%0.232SC..Hα-helixtrans-65.8-39.1-179.8-69.7-9.5000112.3I201 A202 A207 L208 D209 Y446I201-N205 WeakPolarHBondContact O-CB 3.45Å; I201-N205 PolarHBondContact O-N 3.29Å; A202-N205 PolarHBondContact O-N 2.77Å; N205-A207 PolarHBondContact O-N 2.71Å; N205-L208 PolarHBondContact O-N 2.88Å; N205-D209 VanDerWaalsContact O-CB 3.27Å; N205-D209 WeakPolarHBondContact O-CB 3.1Å; N205-D209 PolarHBondContact O-N 3.34Å; N205-Y446 HydrophobicContact CB-CD1 3.67Å; N205-Y446 HydrophobicContact CB-CE1 3.9Å
206F98.8Very high98.4Very high14 Ų1445.7 Ų45.76%0.06123%0.225CC..Hα-helixtrans-58.8-46175167.6-107.8000112A202 Q204 T210 M340 A343 L344 A442 L443 Y446A202-F206 WeakPolarHBondContact O-CB 3.28Å; A202-F206 PolarHBondContact O-N 3.28Å; Q204-F206 PolarHBondContact O-N 2.98Å; F206-T210 VanDerWaalsContact O-CB 3.31Å; F206-T210 WeakPolarHBondContact O-CB 3.46Å; F206-T210 PolarHBondContact O-N 3.03Å; F206-T210 VanDerWaalsContact O-N 3.1Å; F206-T210 PolarHBondContact O-OG1 2.54Å; F206-M340 HydrophobicContact CE1-CB 4Å; F206-M340 HydrophobicContact CE1-CG 4.07Å; F206-M340 HydrophobicContact CZ-CB 4.41Å; F206-M340 HydrophobicContact CZ-CG 4.32Å; F206-A343 HydrophobicContact CZ-CB 3.94Å; F206-L344 HydrophobicContact CD1-CD2 4.39Å; F206-L344 HydrophobicContact CE1-CD1 4.26Å; F206-L344 HydrophobicContact CE1-CD2 4.17Å; F206-L344 HydrophobicContact CE1-CG 4.06Å; F206-A442 HydrophobicContact CD2-CB 4.43Å; F206-A442 HydrophobicContact CE2-CB 3.86Å; F206-A442 HydrophobicContact CZ-CB 4.28Å; F206-L443 HydrophobicContact CB-CD2 3.76Å; F206-L443 HydrophobicContact CD1-CD2 4.3Å; F206-L443 HydrophobicContact CG-CD2 3.99Å; F206-Y446 HydrophobicContact CB-CD2 4.18Å; F206-Y446 HydrophobicContact CB-CE2 3.9Å; F206-Y446 AromaticContact CD2-CE2 3.91Å; F206-Y446 HydrophobicContact CD2-CE2 3.91Å; F206-Y446 HydrophobicContact CG-CE2 4.4Å
207A98.7Very high98.5Very high0 Ų049.6 Ų49.60%025%0.248CC..Hα-helixtrans-67-46.1177.800000111.7L203 Q204 N205 T210 L211 V312 M340 A416 C417L203-A207 PolarHBondContact O-N 3.29Å; L203-A207 VanDerWaalsContact O-N 3.07Å; Q204-A207 PolarHBondContact O-N 2.91Å; N205-A207 PolarHBondContact O-N 2.71Å; A207-T210 PolarHBondContact O-N 3.28Å; A207-L211 VanDerWaalsContact O-CG 3.29Å; A207-L211 WeakPolarHBondContact O-CG 3.33Å; A207-L211 PolarHBondContact O-N 3.46Å; A207-V312 HydrophobicContact CB-CB 4.1Å; A207-V312 HydrophobicContact CB-CG1 4.03Å; A207-V312 HydrophobicContact CB-CG2 4.11Å; A207-M340 HydrophobicContact CB-SD 4.01Å; A207-A416 HydrophobicContact CB-CB 4.42Å; A207-C417 HydrophobicContact CB-CB 3.92Å
208L98.6Very high98.5Very high29 Ų2951.3 Ų51.315%0.15226%0.256CS..Hα-helixtrans-59.1-51177.4-72.6167.7000111.7Q204 N205 T210 L211 Q212 V284 V312Q204-L208 WeakPolarHBondContact O-CB 3.38Å; Q204-L208 VanDerWaalsContact O-CG 3.28Å; Q204-L208 WeakPolarHBondContact O-CG 3.16Å; Q204-L208 PolarHBondContact O-N 3.45Å; N205-L208 PolarHBondContact O-N 2.88Å; L208-T210 VanDerWaalsContact C-N 3.28Å; L208-T210 PolarHBondContact O-N 2.96Å; L208-L211 PolarHBondContact O-N 3.25Å; L208-Q212 WeakPolarHBondContact O-CB 3.27Å; L208-Q212 VanDerWaalsContact O-CG 3.31Å; L208-Q212 WeakPolarHBondContact O-CG 3.35Å; L208-Q212 PolarHBondContact O-N 3.17Å; L208-V284 HydrophobicContact CD2-CG1 4.04Å; L208-V284 HydrophobicContact CD2-CG2 3.76Å; L208-V312 HydrophobicContact CD2-CG1 4.19Å; L208-V312 HydrophobicContact CG-CG1 4.39Å
209D98.4Very high98.5Very high66 Ų6647.3 Ų47.335%0.35324%0.243SC..Hα-helixtrans-63.3-35.3-179.3-781.3000112.3N205 R213 Y446N205-D209 VanDerWaalsContact O-CB 3.27Å; N205-D209 WeakPolarHBondContact O-CB 3.1Å; N205-D209 PolarHBondContact O-N 3.34Å; D209-R213 WeakPolarHBondContact O-CG 3.29Å; D209-R213 PolarHBondContact O-N 2.94Å; D209-R213 PolarHBondContact O-NE 2.71Å; D209-Y446 WeakPolarHBondContact CB-OH 3.5Å; D209-Y446 VanDerWaalsContact OD2-CE1 3.3Å; D209-Y446 WeakPolarHBondContact OD2-CE1 3.4Å; D209-Y446 PolarHBondContact OD2-OH 3.4Å
210T98.5Very high98.5Very high8 Ų854 Ų545%0.04928%0.284CS..Hα-helixtrans-65.4-46.7176-60.30000110.5F206 A207 L208 R214 M340F206-T210 VanDerWaalsContact O-CB 3.31Å; F206-T210 WeakPolarHBondContact O-CB 3.46Å; F206-T210 PolarHBondContact O-N 3.03Å; F206-T210 VanDerWaalsContact O-N 3.1Å; F206-T210 PolarHBondContact O-OG1 2.54Å; A207-T210 PolarHBondContact O-N 3.28Å; L208-T210 VanDerWaalsContact C-N 3.28Å; L208-T210 PolarHBondContact O-N 2.96Å; T210-R214 WeakPolarHBondContact O-CG 3.4Å; T210-M340 HydrophobicContact CG2-CG 4.01Å; T210-M340 HydrophobicContact CG2-SD 4.47Å
211L98.8Very high98.5Very high0 Ų053.2 Ų53.20%028%0.281CS..Hα-helixtrans-73.7-37.6-177.7-66.3172000112.9A207 L208 R213 R214 G215 F216 V284 V312 M314 L336 A416A207-L211 VanDerWaalsContact O-CG 3.29Å; A207-L211 WeakPolarHBondContact O-CG 3.33Å; A207-L211 PolarHBondContact O-N 3.46Å; L208-L211 PolarHBondContact O-N 3.25Å; L211-R213 VanDerWaalsContact C-N 3.29Å; L211-R213 PolarHBondContact O-N 3.49Å; L211-R214 CarbonylContact O-C 3.58Å; L211-R214 WeakPolarHBondContact O-CA 3.45Å; L211-R214 WeakPolarHBondContact O-CB 3.31Å; L211-R214 PolarHBondContact O-N 2.69Å; L211-G215 PolarHBondContact O-N 2.91Å; L211-F216 HydrophobicContact CB-CB 4.02Å; L211-F216 HydrophobicContact CB-CD1 4.47Å; L211-F216 HydrophobicContact CB-CD2 4.09Å; L211-F216 HydrophobicContact CB-CG 3.95Å; L211-F216 HydrophobicContact CD2-CD2 4.17Å; L211-F216 HydrophobicContact CD2-CE1 4.38Å; L211-F216 HydrophobicContact CD2-CE2 3.95Å; L211-F216 HydrophobicContact CD2-CG 4.46Å; L211-F216 HydrophobicContact CD2-CZ 4.05Å; L211-F216 WeakPolarHBondContact O-CB 3.47Å; L211-F216 VanDerWaalsContact O-CD2 3.31Å; L211-F216 WeakPolarHBondContact O-CD2 3.27Å; L211-F216 PolarHBondContact O-N 3.43Å; L211-F216 VanDerWaalsContact O-N 3.14Å; L211-V284 HydrophobicContact CB-CB 4.42Å; L211-V284 HydrophobicContact CB-CG2 4.37Å; L211-V284 HydrophobicContact CD1-CB 4.13Å; L211-V284 HydrophobicContact CD1-CG2 3.45Å; L211-V284 VanDerWaalsContact CD1-CG2 3.45Å; L211-V312 HydrophobicContact CD1-CG1 4.4Å; L211-M314 HydrophobicContact CD1-CG 3.63Å; L211-M314 HydrophobicContact CD1-SD 4.07Å; L211-M314 HydrophobicContact CD2-CG 4Å; L211-M314 HydrophobicContact CD2-SD 3.38Å; L211-M314 WeakPolarHBondContact CD2-SD 3.4Å; L211-M314 HydrophobicContact CG-CG 4.48Å; L211-M314 HydrophobicContact CG-SD 4.39Å; L211-L336 HydrophobicContact CD2-CB 4.42Å; L211-L336 HydrophobicContact CD2-CD1 3.94Å; L211-A416 HydrophobicContact CD1-CB 3.71Å
212Q98.2Very high98.5Very high88 Ų8853 Ų5341%0.41129%0.286SS..Hα-helixtrans-62.5-37.4175.6-74.4179.5-106.800111.8L208 R214 G215L208-Q212 WeakPolarHBondContact O-CB 3.27Å; L208-Q212 VanDerWaalsContact O-CG 3.31Å; L208-Q212 WeakPolarHBondContact O-CG 3.35Å; L208-Q212 PolarHBondContact O-N 3.17Å; Q212-R214 PolarHBondContact O-N 2.61Å; Q212-G215 PolarHBondContact O-N 3.32Å
213R98.1Very high98.5Very high178 Ų17855.5 Ų55.567%0.67230%0.299SS*.THydrogen-bonded Turntrans-63.7-18.1171.8-81.2-179.4-91.4144.7-8.1113.5D209 L211D209-R213 WeakPolarHBondContact O-CG 3.29Å; D209-R213 PolarHBondContact O-N 2.94Å; D209-R213 PolarHBondContact O-NE 2.71Å; L211-R213 VanDerWaalsContact C-N 3.29Å; L211-R213 PolarHBondContact O-N 3.49Å
214R97.8Very high98.5Very high132 Ų13260.3 Ų60.350%0.49832%0.322SS..THydrogen-bonded Turntrans-97.19174.9-58.2-70.1-169.8164.72.5112.9T210 L211 Q212 F216 L336 E339T210-R214 WeakPolarHBondContact O-CG 3.4Å; L211-R214 CarbonylContact O-C 3.58Å; L211-R214 WeakPolarHBondContact O-CA 3.45Å; L211-R214 WeakPolarHBondContact O-CB 3.31Å; L211-R214 PolarHBondContact O-N 2.69Å; Q212-R214 PolarHBondContact O-N 2.61Å; R214-F216 HydrophobicContact CB-CD2 4.07Å; R214-F216 HydrophobicContact CB-CE2 4.22Å; R214-L336 HydrophobicContact CG-CD2 3.8Å; R214-E339 IonicContact CZ-OE2 3.97Å; R214-E339 IonicContact NE-OE2 2.78Å; R214-E339 IonicContact NH2-OE1 3.54Å; R214-E339 PolarHBondContact NH2-OE1 2.89Å; R214-E339 IonicContact NH2-OE2 2.89Å; R214-E339 PolarHBondContact NH2-OE2 2.69Å
215G97.6Very high98.5Very high57 Ų5759.9 Ų59.959%0.58832%0.321SS*.THydrogen-bonded Turntrans85.412.4175.800000114.9L211 Q212L211-G215 PolarHBondContact O-N 2.91Å; Q212-G215 PolarHBondContact O-N 3.32Å
216F98.8Very high98.4Very high7 Ų760.7 Ų60.73%0.03132%0.321CS..PPolyproline II helixtrans-70.2136.4173-75.5-114.7000110.9L211 R214 P218 R282 T283 V284 M314 Y333 L336L211-F216 HydrophobicContact CB-CB 4.02Å; L211-F216 HydrophobicContact CB-CD1 4.47Å; L211-F216 HydrophobicContact CB-CD2 4.09Å; L211-F216 HydrophobicContact CB-CG 3.95Å; L211-F216 HydrophobicContact CD2-CD2 4.17Å; L211-F216 HydrophobicContact CD2-CE1 4.38Å; L211-F216 HydrophobicContact CD2-CE2 3.95Å; L211-F216 HydrophobicContact CD2-CG 4.46Å; L211-F216 HydrophobicContact CD2-CZ 4.05Å; L211-F216 WeakPolarHBondContact O-CB 3.47Å; L211-F216 VanDerWaalsContact O-CD2 3.31Å; L211-F216 WeakPolarHBondContact O-CD2 3.27Å; L211-F216 PolarHBondContact O-N 3.43Å; L211-F216 VanDerWaalsContact O-N 3.14Å; R214-F216 HydrophobicContact CB-CD2 4.07Å; R214-F216 HydrophobicContact CB-CE2 4.22Å; F216-P218 WeakPolarHBondContact O-CD 3.36Å; F216-R282 WeakPolarHBondContact CA-O 3.16Å; F216-R282 HydrophobicContact CD1-CB 3.8Å; F216-R282 HydrophobicContact CD2-CB 4.11Å; F216-R282 HydrophobicContact CE1-CB 3.96Å; F216-R282 HydrophobicContact CE2-CB 4.27Å; F216-R282 HydrophobicContact CE2-CG 4.49Å; F216-R282 HydrophobicContact CG-CB 3.89Å; F216-R282 HydrophobicContact CZ-CB 4.21Å; F216-R282 HydrophobicContact CZ-CG 4.41Å; F216-T283 WeakPolarHBondContact CD1-O 3.38Å; F216-V284 HydrophobicContact CB-CB 4.1Å; F216-V284 HydrophobicContact CB-CG1 3.91Å; F216-V284 HydrophobicContact CD1-CB 4.18Å; F216-M314 HydrophobicContact CD1-CG 4.34Å; F216-M314 HydrophobicContact CE1-CB 3.84Å; F216-M314 HydrophobicContact CE1-CG 3.65Å; F216-M314 HydrophobicContact CE1-SD 3.96Å; F216-M314 HydrophobicContact CZ-CG 4.17Å; F216-M314 HydrophobicContact CZ-SD 3.84Å; F216-Y333 AromaticContact CE1-CE1 3.68Å; F216-Y333 HydrophobicContact CE1-CE1 3.68Å; F216-Y333 AromaticContact CE1-CZ 3.71Å; F216-Y333 HydrophobicContact CE2-CE1 4.42Å; F216-Y333 AromaticContact CZ-CD1 3.91Å; F216-Y333 HydrophobicContact CZ-CD1 3.91Å; F216-Y333 AromaticContact CZ-CE1 3.3Å; F216-Y333 HydrophobicContact CZ-CE1 3.3Å; F216-Y333 AromaticContact CZ-CZ 3.85Å; F216-L336 HydrophobicContact CE2-CD1 3.65Å; F216-L336 HydrophobicContact CZ-CD1 3.74Å
217V98.5Very high98.4Very high84 Ų8460.2 Ų60.251%0.50932%0.32SS..EExtended strand (participates in β ladder)trans-86.1118.5175.5-177.30000109.4R282 T283 V284V217-R282 PolarHBondContact N-O 3.03Å; V217-T283 CarbonylContact O-C 3.47Å; V217-T283 VanDerWaalsContact O-CA 3.27Å; V217-T283 WeakPolarHBondContact O-CA 3.15Å; V217-V284 PolarHBondContact O-N 3.12Å
218P98.4Very high98.4Very high72 Ų7260.5 Ų60.547%0.46832%0.321SS..EExtended strand (participates in β ladder)trans-71.2137178.229.1-33.8000111.5F216 V284F216-P218 WeakPolarHBondContact O-CD 3.36Å; P218-V284 CarbonylContact C-O 3.48Å; P218-V284 VanDerWaalsContact CA-O 3.31Å; P218-V284 WeakPolarHBondContact CA-O 3.49Å; P218-V284 HydrophobicContact CB-CG1 4.15Å
219M98.6Very high98.4Very high33 Ų3359.6 Ų59.616%0.16332%0.317CS..EExtended strand (participates in β ladder)trans-129.2143.1178.9-66.8-174.574.900111.6V221 V265 Y268 T283 V284 C285M219-V221 HydrophobicContact CB-CG1 4.37Å; M219-V221 HydrophobicContact CE-CG1 4.45Å; M219-V265 HydrophobicContact SD-CG1 4.23Å; M219-V265 HydrophobicContact SD-CG2 4.45Å; M219-Y268 HydrophobicContact CE-CD1 3.64Å; M219-Y268 HydrophobicContact CE-CD2 3.66Å; M219-Y268 HydrophobicContact CE-CE1 4.05Å; M219-Y268 HydrophobicContact CE-CE2 4.06Å; M219-Y268 HydrophobicContact CE-CG 3.43Å; M219-Y268 VanDerWaalsContact CE-CG 3.43Å; M219-T283 HydrophobicContact CG-CG2 4.43Å; M219-T283 HydrophobicContact SD-CG2 3.62Å; M219-V284 PolarHBondContact N-O 3.5Å; M219-C285 WeakPolarHBondContact O-CA 3.27Å; M219-C285 PolarHBondContact O-SG 3.28Å
220V98.4Very high98.4Very high142 Ų14256.5 Ų56.586%0.86130%0.301SS*.  trans-113122.8164.9179.90000106.7
221V98.6Very high98.3Very high17 Ų1757.8 Ų57.810%0.10331%0.306CS..  trans-116.3157.5-174.9-57.40000110.8M219 V265M219-V221 HydrophobicContact CB-CG1 4.37Å; M219-V221 HydrophobicContact CE-CG1 4.45Å; V221-V265 HydrophobicContact CG1-CG2 3.91Å
222P98.7Very high98.3Very high88 Ų8857.8 Ų57.857%0.57131%0.306SS*.  trans-61.4138.2170.1-21.233.6000111.5L225P222-L225 VanDerWaalsContact O-CD1 3.31Å; P222-L225 WeakPolarHBondContact O-CD1 3.32Å
223D98.3Very high98.3Very high55 Ų5553.7 Ų53.729%0.29429%0.287SS..SBendtrans-85.1-18.8174.6-64.2-52.5000112.8L257 A258 Y290D223-L257 WeakPolarHBondContact O-CA 3.5Å; D223-A258 PolarHBondContact O-N 3.02Å; D223-Y290 HydrophobicContact CB-CE2 4.46Å
224M98.5Very high98.3Very high100 Ų10045.8 Ų45.849%0.49326%0.261SS..EExtended strand (participates in β ladder)trans-107.2115.3178.5-67.5177-67.700109.7L247 N256 L257M224-L247 HydrophobicContact SD-CD1 3.88Å; M224-N256 CarbonylContact C-O 3.52Å; M224-N256 VanDerWaalsContact CA-O 3.29Å; M224-N256 WeakPolarHBondContact CA-O 3.37Å; M224-L257 HydrophobicContact CG-CD2 3.65Å
225L98.6Very high98.1Very high18 Ų1842 Ų429%0.09425%0.25CC..EExtended strand (participates in β ladder)trans-129.5161.7-176.5-59.1108.8000112.4P222 V229 F230 N256 A258 V263P222-L225 VanDerWaalsContact O-CD1 3.31Å; P222-L225 WeakPolarHBondContact O-CD1 3.32Å; L225-V229 HydrophobicContact CD2-CG1 4.39Å; L225-F230 HydrophobicContact CB-CE2 3.83Å; L225-N256 PolarHBondContact N-O 2.91Å; L225-N256 PolarHBondContact O-N 3.13Å; L225-N256 PolarHBondContact O-ND2 3.45Å; L225-A258 HydrophobicContact CD1-CB 3.92Å; L225-V263 HydrophobicContact CB-CG1 4.48Å; L225-V263 HydrophobicContact CD1-CB 4.42Å; L225-V263 HydrophobicContact CD1-CG1 4Å; L225-V263 HydrophobicContact CD2-CG1 4.42Å
226K98.3Very high97.7Very high87 Ų8743.5 Ų43.538%0.37824%0.241SC..  trans-69.6145.4174-64.8-77.8161.5-162.30110.5V228 V229 F230 P253 D254K226-V228 HydrophobicContact CB-CG1 3.84Å; K226-V228 PolarHBondContact O-N 2.89Å; K226-V228 VanDerWaalsContact O-N 3.15Å; K226-V229 PolarHBondContact O-N 3.3Å; K226-V229 VanDerWaalsContact O-N 3.11Å; K226-F230 WeakPolarHBondContact O-CD2 3.4Å; K226-P253 PolarHBondContact NZ-O 3.18Å; K226-P253 VanDerWaalsContact NZ-O 3.08Å; K226-D254 HydrophobicContact CD-CB 4.2Å; K226-D254 VanDerWaalsContact CD-O 3.24Å; K226-D254 WeakPolarHBondContact CD-O 3.24Å; K226-D254 WeakPolarHBondContact CD-OD2 3.39Å; K226-D254 WeakPolarHBondContact CE-O 3.4Å; K226-D254 PolarHBondContact NZ-O 2.96Å; K226-D254 IonicContact NZ-OD2 2.67Å
227A97.7Very high96.9Very high4 Ų443.5 Ų43.53%0.03324%0.242CC..Hα-helixtrans-58.3-29.2-177.600000113V229 F230 E231 P237 D254 N256A227-V229 PolarHBondContact O-N 3.14Å; A227-F230 WeakPolarHBondContact O-CB 3.44Å; A227-F230 PolarHBondContact O-N 3.49Å; A227-E231 PolarHBondContact O-N 3.44Å; A227-P237 HydrophobicContact CB-CB 4.48Å; A227-P237 HydrophobicContact CB-CG 3.87Å; A227-D254 WeakPolarHBondContact CB-OD1 3.39Å; A227-D254 PolarHBondContact N-OD1 3.18Å; A227-N256 PolarHBondContact N-ND2 3.37Å
228V98.3Very high96.1Very high5 Ų543.7 Ų43.73%0.0324%0.24CC..Hα-helixtrans-53.6-39.8175.767.50000112.8L5 H8 K226 E231 G232 M270L5-V228 HydrophobicContact CD2-CG2 3.68Å; L5-V228 HydrophobicContact CG-CG2 4.31Å; H8-V228 HydrophobicContact CB-CB 4.33Å; H8-V228 HydrophobicContact CB-CG2 3.78Å; K226-V228 HydrophobicContact CB-CG1 3.84Å; K226-V228 PolarHBondContact O-N 2.89Å; K226-V228 VanDerWaalsContact O-N 3.15Å; V228-E231 PolarHBondContact O-N 3.28Å; V228-G232 PolarHBondContact O-N 2.81Å; V228-M270 HydrophobicContact CG1-CE 4.41Å; V228-M270 HydrophobicContact CG2-CE 4.26Å
229V98.8Very high95.4Very high11 Ų1141.9 Ų41.97%0.06723%0.232CC..Hα-helixtrans-70.6-40.3-178.3-168.40000110.8L225 K226 A227 G232 C233 V263 M270L225-V229 HydrophobicContact CD2-CG1 4.39Å; K226-V229 PolarHBondContact O-N 3.3Å; K226-V229 VanDerWaalsContact O-N 3.11Å; A227-V229 PolarHBondContact O-N 3.14Å; V229-G232 PolarHBondContact O-N 3.06Å; V229-C233 PolarHBondContact O-N 3.5Å; V229-C233 PolarHBondContact O-SG 2.88Å; V229-C233 VanDerWaalsContact O-SG 3.36Å; V229-V263 HydrophobicContact CB-CG1 4.08Å; V229-V263 HydrophobicContact CG1-CG1 3.71Å; V229-V263 WeakPolarHBondContact CG1-O 3.47Å; V229-M270 HydrophobicContact CG2-SD 4.31Å
230F98.6Very high94.4Very high0 Ų049.3 Ų49.30%027%0.266CS..Hα-helixtrans-62-47.3175.4-69-100.1000111.2L225 K226 A227 G232 C233 G234 M235 P237 V244 N256 A258 V263L225-F230 HydrophobicContact CB-CE2 3.83Å; K226-F230 WeakPolarHBondContact O-CD2 3.4Å; A227-F230 WeakPolarHBondContact O-CB 3.44Å; A227-F230 PolarHBondContact O-N 3.49Å; F230-G232 VanDerWaalsContact C-N 3.33Å; F230-G232 PolarHBondContact O-N 3.06Å; F230-C233 CarbonylContact O-C 3.59Å; F230-C233 WeakPolarHBondContact O-CB 3.42Å; F230-C233 PolarHBondContact O-N 2.77Å; F230-C233 VanDerWaalsContact O-N 3.15Å; F230-G234 PolarHBondContact O-N 2.79Å; F230-M235 CarbonylContact C-O 3.57Å; F230-M235 HydrophobicContact CB-CB 4.19Å; F230-M235 HydrophobicContact CD1-SD 4.21Å; F230-M235 WeakPolarHBondContact O-CA 3.43Å; F230-M235 WeakPolarHBondContact O-CB 3.4Å; F230-M235 PolarHBondContact O-N 3.14Å; F230-P237 HydrophobicContact CB-CB 4.42Å; F230-P237 HydrophobicContact CB-CG 4.04Å; F230-V244 HydrophobicContact CD1-CG1 4.17Å; F230-V244 HydrophobicContact CD1-CG2 3.9Å; F230-V244 HydrophobicContact CE1-CG1 3.73Å; F230-V244 HydrophobicContact CE1-CG2 4.06Å; F230-V244 HydrophobicContact CZ-CG1 4.09Å; F230-N256 HydrophobicContact CD2-CB 4.32Å; F230-N256 HydrophobicContact CE2-CB 3.58Å; F230-N256 HydrophobicContact CZ-CB 3.76Å; F230-A258 HydrophobicContact CE1-CB 4.43Å; F230-A258 HydrophobicContact CZ-CB 4.25Å; F230-V263 HydrophobicContact CD1-CG1 4.17Å; F230-V263 HydrophobicContact CD1-CG2 4.11Å; F230-V263 HydrophobicContact CD2-CG1 4Å; F230-V263 HydrophobicContact CE1-CG1 4.21Å; F230-V263 HydrophobicContact CE1-CG2 4.21Å; F230-V263 HydrophobicContact CE2-CG1 4.02Å; F230-V263 HydrophobicContact CG-CG1 4.07Å; F230-V263 HydrophobicContact CZ-CG1 4.13Å
231E97.9Very high93.6Very high36 Ų3647.8 Ų47.817%0.16825%0.252CS..Hα-helixtrans-65.7-37.6179.9-168.5173.7162.300112S3 S4 L5 A227 V228 C233 G234 M235S3-E231 WeakPolarHBondContact CA-OE1 3.19Å; S3-E231 VanDerWaalsContact CB-OE1 3.22Å; S3-E231 WeakPolarHBondContact CB-OE1 3.36Å; S3-E231 PolarHBondContact OG-OE1 2.93Å; S4-E231 VanDerWaalsContact CA-OE2 3.31Å; S4-E231 WeakPolarHBondContact CA-OE2 3.45Å; S4-E231 WeakPolarHBondContact CB-OE2 3.39Å; S4-E231 PolarHBondContact N-OE2 2.76Å; S4-E231 PolarHBondContact OG-OE2 2.88Å; L5-E231 HydrophobicContact CD1-CB 4.27Å; L5-E231 HydrophobicContact CD1-CG 3.81Å; L5-E231 HydrophobicContact CG-CB 4.17Å; L5-E231 HydrophobicContact CG-CG 4.06Å; L5-E231 PolarHBondContact N-OE2 2.9Å; A227-E231 PolarHBondContact O-N 3.44Å; V228-E231 PolarHBondContact O-N 3.28Å; E231-C233 VanDerWaalsContact C-N 3.29Å; E231-C233 PolarHBondContact O-N 3.31Å; E231-G234 WeakPolarHBondContact O-CA 3.25Å; E231-G234 PolarHBondContact O-N 3.01Å; E231-M235 VanDerWaalsContact CA-O 3.3Å; E231-M235 WeakPolarHBondContact CA-O 3.5Å
232G98.3Very high93.2Very high0 Ų047.9 Ų47.90%025%0.253CS..Hα-helixtrans-61.6-34.7171.800000113.7V228 V229 F230 G234V228-G232 PolarHBondContact O-N 2.81Å; V229-G232 PolarHBondContact O-N 3.06Å; F230-G232 VanDerWaalsContact C-N 3.33Å; F230-G232 PolarHBondContact O-N 3.06Å; G232-G234 PolarHBondContact O-N 2.97Å
233C98.5Very high92.9Very high1 Ų147.3 Ų47.31%0.00724%0.243CC..THydrogen-bonded Turntrans-74.8-2.5171.2-670000114.1V229 F230 E231 M235 A266 Q391V229-C233 PolarHBondContact O-N 3.5Å; V229-C233 PolarHBondContact O-SG 2.88Å; V229-C233 VanDerWaalsContact O-SG 3.36Å; F230-C233 CarbonylContact O-C 3.59Å; F230-C233 WeakPolarHBondContact O-CB 3.42Å; F230-C233 PolarHBondContact O-N 2.77Å; F230-C233 VanDerWaalsContact O-N 3.15Å; E231-C233 VanDerWaalsContact C-N 3.29Å; E231-C233 PolarHBondContact O-N 3.31Å; C233-M235 HydrophobicContact CB-CE 4.32Å; C233-M235 HydrophobicContact CB-CG 4.43Å; C233-A266 WeakPolarHBondContact SG-CB 3.31Å; C233-Q391 PolarHBondContact O-NE2 2.92Å
234G96.5Very high92.8Very high13 Ų1345.7 Ų45.713%0.13424%0.235CC..THydrogen-bonded Turntrans82.316.8-176.400000114.2F230 E231 G232F230-G234 PolarHBondContact O-N 2.79Å; E231-G234 WeakPolarHBondContact O-CA 3.25Å; E231-G234 PolarHBondContact O-N 3.01Å; G232-G234 PolarHBondContact O-N 2.97Å
235M95Very high92.7Very high52 Ų5245.1 Ų45.126%0.25623%0.228SC..  trans-95.5148.3174.7-55.9-179.6-169.300110.4F230 E231 C233 P237 T260 V263F230-M235 CarbonylContact C-O 3.57Å; F230-M235 HydrophobicContact CB-CB 4.19Å; F230-M235 HydrophobicContact CD1-SD 4.21Å; F230-M235 WeakPolarHBondContact O-CA 3.43Å; F230-M235 WeakPolarHBondContact O-CB 3.4Å; F230-M235 PolarHBondContact O-N 3.14Å; E231-M235 VanDerWaalsContact CA-O 3.3Å; E231-M235 WeakPolarHBondContact CA-O 3.5Å; C233-M235 HydrophobicContact CB-CE 4.32Å; C233-M235 HydrophobicContact CB-CG 4.43Å; M235-P237 WeakPolarHBondContact O-CD 3.24Å; M235-T260 HydrophobicContact CE-CG2 3.68Å; M235-V263 HydrophobicContact CE-CG2 3.82Å; M235-V263 HydrophobicContact SD-CG2 3.7Å
236Q88.5Confident92.6Very high88 Ų8847.5 Ų47.541%0.41125%0.246SC..  trans-110.184.4-176-63.6-178.9-12.400111.5D41 N238 A239 S242D41-Q236 PolarHBondContact OD2-NE2 3.42Å; Q236-N238 PolarHBondContact O-N 3.44Å; Q236-A239 HydrophobicContact CB-CB 3.99Å; Q236-A239 PolarHBondContact O-N 2.91Å; Q236-S242 PolarHBondContact O-OG 2.85Å
237P81.4Confident92.6Very high8 Ų845.8 Ų45.85%0.05224%0.241CC..THydrogen-bonded Turntrans-64-27.9-177.525.9-34.8000113.1A227 F230 M235 S242 V244A227-P237 HydrophobicContact CB-CB 4.48Å; A227-P237 HydrophobicContact CB-CG 3.87Å; F230-P237 HydrophobicContact CB-CB 4.42Å; F230-P237 HydrophobicContact CB-CG 4.04Å; M235-P237 WeakPolarHBondContact O-CD 3.24Å; P237-S242 VanDerWaalsContact O-CB 3.23Å; P237-S242 WeakPolarHBondContact O-CB 3.17Å; P237-S242 PolarHBondContact O-OG 2.94Å; P237-V244 HydrophobicContact CB-CB 4.3Å; P237-V244 HydrophobicContact CB-CG1 4.33Å; P237-V244 HydrophobicContact CB-CG2 4.28Å
238N82.3Confident92.5Very high87 Ų8748.9 Ų48.947%0.46526%0.257SS..THydrogen-bonded Turntrans-98.412.1-175.7-62.2-42.1000114.1V1 Q236V1-N238 HydrophobicContact CG1-CB 4.02Å; Q236-N238 PolarHBondContact O-N 3.44Å
239A83.1Confident92.3Very high35 Ų3553.4 Ų53.429%0.28929%0.286SS..SBendtrans-67.1149.1175.800000111.4Q236 L241 S242Q236-A239 HydrophobicContact CB-CB 3.99Å; Q236-A239 PolarHBondContact O-N 2.91Å; A239-L241 PolarHBondContact O-N 2.81Å; A239-S242 WeakPolarHBondContact O-CB 3.45Å; A239-S242 PolarHBondContact O-N 2.96Å
240H78Confident92.2Very high188 Ų18857.2 Ų57.287%0.8732%0.319SS*.THydrogen-bonded Turntrans-56.3-35.7179.3179.4-83.3000112.6
241L81.8Confident92.2Very high111 Ų11166 Ų6658%0.58135%0.353SS*.THydrogen-bonded Turntrans-11450.2172.8-62.3176.6000110.7A239 Q243 T294A239-L241 PolarHBondContact O-N 2.81Å; L241-Q243 PolarHBondContact O-NE2 2.92Å; L241-T294 PolarHBondContact O-OG1 2.92Å
242S89.6Confident92.2Very high18 Ų1869.7 Ų69.713%0.12637%0.368CS..  trans-54.7141178.6-176.90000112.1Q236 P237 A239 V244Q236-S242 PolarHBondContact O-OG 2.85Å; P237-S242 VanDerWaalsContact O-CB 3.23Å; P237-S242 WeakPolarHBondContact O-CB 3.17Å; P237-S242 PolarHBondContact O-OG 2.94Å; A239-S242 WeakPolarHBondContact O-CB 3.45Å; A239-S242 PolarHBondContact O-N 2.96Å; S242-V244 VanDerWaalsContact C-N 3.27Å; S242-V244 WeakPolarHBondContact OG-CB 3.35Å; S242-V244 PolarHBondContact OG-N 3Å
243Q93.1Very high92Very high77 Ų7773.8 Ų73.836%0.3640%0.395SS..SBendtrans-84.3-6.1170.2-61.3-52.5-46.800112.3L241 R291 A292 T294L241-Q243 PolarHBondContact O-NE2 2.92Å; Q243-R291 WeakPolarHBondContact O-CA 3.36Å; Q243-A292 PolarHBondContact O-N 3.16Å; Q243-T294 PolarHBondContact NE2-OG1 2.57Å
244V96.5Very high91.8Very high21 Ų2176.9 Ų76.913%0.12741%0.411CS..SBendtrans-96.5130.4-174.3-176.70000109.5F230 P237 S242 N256F230-V244 HydrophobicContact CD1-CG1 4.17Å; F230-V244 HydrophobicContact CD1-CG2 3.9Å; F230-V244 HydrophobicContact CE1-CG1 3.73Å; F230-V244 HydrophobicContact CE1-CG2 4.06Å; F230-V244 HydrophobicContact CZ-CG1 4.09Å; P237-V244 HydrophobicContact CB-CB 4.3Å; P237-V244 HydrophobicContact CB-CG1 4.33Å; P237-V244 HydrophobicContact CB-CG2 4.28Å; S242-V244 VanDerWaalsContact C-N 3.27Å; S242-V244 WeakPolarHBondContact OG-CB 3.35Å; S242-V244 PolarHBondContact OG-N 3Å; V244-N256 HydrophobicContact CG1-CB 3.7Å
245Y97.1Very high91.9Very high87 Ų8778.5 Ų78.534%0.34142%0.417SS..EExtended strand (participates in β ladder)trans-82.4127.1168.2-74.9-73.5000109.9N256 L257 R291 A292 H307Y245-N256 CarbonylContact O-C 3.5Å; Y245-N256 WeakPolarHBondContact O-CA 3.5Å; Y245-L257 PolarHBondContact O-N 3.47Å; Y245-R291 VanDerWaalsContact CE2-C 3.48Å; Y245-R291 WeakPolarHBondContact CE2-O 3.47Å; Y245-A292 HydrophobicContact CD2-CB 4.47Å; Y245-A292 HydrophobicContact CE1-CB 4.24Å; Y245-A292 HydrophobicContact CE2-CB 4.18Å; Y245-H307 HydrophobicContact CE2-CB 4.48Å; Y245-H307 PolarHBondContact OH-ND1 2.97Å; Y245-H307 VanDerWaalsContact OH-ND1 3.14Å
246S96.3Very high92Very high68 Ų6876.3 Ų76.348%0.47641%0.406SS..EExtended strand (participates in β ladder)trans-103.7145.5172.4-53.20000110.7N256S246-N256 VanDerWaalsContact CB-OD1 3.31Å; S246-N256 WeakPolarHBondContact CB-OD1 3.45Å; S246-N256 PolarHBondContact OG-OD1 3.4Å
247L96.7Very high92.5Very high52 Ų5273.8 Ų73.827%0.27240%0.395SS..PPolyproline II helixtrans-67.2163.3167.4-65.3-174.6000110.5M224 P249 F252 L255M224-L247 HydrophobicContact SD-CD1 3.88Å; L247-P249 WeakPolarHBondContact O-CD 3.28Å; L247-F252 HydrophobicContact CB-CB 3.99Å; L247-F252 HydrophobicContact CD1-CB 3.95Å; L247-F252 HydrophobicContact CD1-CD2 4.38Å; L247-F252 HydrophobicContact CD1-CG 4.25Å; L247-L255 HydrophobicContact CB-CB 4.36Å; L247-L255 HydrophobicContact CD1-CB 3.73Å; L247-L255 HydrophobicContact CD1-CD1 4.02Å; L247-L255 HydrophobicContact CG-CB 4.16Å; L247-L255 PolarHBondContact N-O 2.95Å
248D96.8Very high93.3Very high69 Ų6973.5 Ų73.537%0.36939%0.394SS..  trans-56107.9175.9179.3-1.4000109.9A250 R251 F252D248-A250 PolarHBondContact O-N 3.24Å; D248-A250 VanDerWaalsContact O-N 3.15Å; D248-A250 WeakPolarHBondContact OD1-CB 3.28Å; D248-A250 PolarHBondContact OD1-N 3.01Å; D248-A250 VanDerWaalsContact OD1-N 3.12Å; D248-R251 PolarHBondContact O-N 3.24Å; D248-R251 IonicContact OD2-CZ 3.6Å; D248-R251 IonicContact OD2-NE 2.84Å; D248-R251 PolarHBondContact OD2-NE 2.86Å; D248-R251 IonicContact OD2-NH2 3.52Å; D248-F252 PolarHBondContact O-N 2.74Å
249P94.3Very high94.1Very high99 Ų9969.9 Ų69.964%0.64338%0.377SS*.THydrogen-bonded Turntrans-68.2-17.9-17227.9-34.8000112.4L247 R251L247-P249 WeakPolarHBondContact O-CD 3.28Å; P249-R251 PolarHBondContact O-N 2.95Å
250A97.2Very high94.8Very high92 Ų9268.5 Ų68.576%0.7637%0.365SS*.THydrogen-bonded Turntrans-72.7-18174.600000113D248D248-A250 PolarHBondContact O-N 3.24Å; D248-A250 VanDerWaalsContact O-N 3.15Å; D248-A250 WeakPolarHBondContact OD1-CB 3.28Å; D248-A250 PolarHBondContact OD1-N 3.01Å; D248-A250 VanDerWaalsContact OD1-N 3.12Å
251R97.5Very high95.8Very high184 Ų18459.6 Ų59.669%0.69432%0.324SS*.THydrogen-bonded Turntrans-116-40-179.6-58-173-137.9-159.7-0.2113D248 P249D248-R251 PolarHBondContact O-N 3.24Å; D248-R251 IonicContact OD2-CZ 3.6Å; D248-R251 IonicContact OD2-NE 2.84Å; D248-R251 PolarHBondContact OD2-NE 2.86Å; D248-R251 IonicContact OD2-NH2 3.52Å; P249-R251 PolarHBondContact O-N 2.95Å
252F97.2Very high96.6Very high114 Ų11455 Ų5550%0.530%0.299SS..SBendtrans-130.277.7-174.9-59.5-67000108.5L247 D248 D254 L255L247-F252 HydrophobicContact CB-CB 3.99Å; L247-F252 HydrophobicContact CD1-CB 3.95Å; L247-F252 HydrophobicContact CD1-CD2 4.38Å; L247-F252 HydrophobicContact CD1-CG 4.25Å; D248-F252 PolarHBondContact O-N 2.74Å; F252-D254 PolarHBondContact O-N 2.89Å; F252-L255 HydrophobicContact CB-CD1 4.31Å
253P94.1Very high97Very high85 Ų8554.2 Ų54.255%0.55229%0.293SS*.THydrogen-bonded Turntrans-63.5134.5-175.826.2-34.4000110.9K226K226-P253 PolarHBondContact NZ-O 3.18Å; K226-P253 VanDerWaalsContact NZ-O 3.08Å
254D95.1Very high97.3Very high67 Ų6750.8 Ų50.836%0.35828%0.279SS..THydrogen-bonded Turntrans53.658.3175.2-172.128.1000113.1K226 A227 F252 N256K226-D254 HydrophobicContact CD-CB 4.2Å; K226-D254 VanDerWaalsContact CD-O 3.24Å; K226-D254 WeakPolarHBondContact CD-O 3.24Å; K226-D254 WeakPolarHBondContact CD-OD2 3.39Å; K226-D254 WeakPolarHBondContact CE-O 3.4Å; K226-D254 PolarHBondContact NZ-O 2.96Å; K226-D254 IonicContact NZ-OD2 2.67Å; A227-D254 WeakPolarHBondContact CB-OD1 3.39Å; A227-D254 PolarHBondContact N-OD1 3.18Å; F252-D254 PolarHBondContact O-N 2.89Å; D254-N256 PolarHBondContact OD1-ND2 2.75Å
255L98Very high97.4Very high47 Ų4749.8 Ų49.825%0.24627%0.273CS..  trans-131.5125.8168.6-76-177.2000109.6L247 F252L247-L255 HydrophobicContact CB-CB 4.36Å; L247-L255 HydrophobicContact CD1-CB 3.73Å; L247-L255 HydrophobicContact CD1-CD1 4.02Å; L247-L255 HydrophobicContact CG-CB 4.16Å; L247-L255 PolarHBondContact N-O 2.95Å; F252-L255 HydrophobicContact CB-CD1 4.31Å
256N98.4Very high97.5Very high5 Ų545.7 Ų45.73%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-134.5140.8-169.1-51.4-81.9000110.4M224 L225 A227 F230 V244 Y245 S246 D254M224-N256 CarbonylContact C-O 3.52Å; M224-N256 VanDerWaalsContact CA-O 3.29Å; M224-N256 WeakPolarHBondContact CA-O 3.37Å; L225-N256 PolarHBondContact N-O 2.91Å; L225-N256 PolarHBondContact O-N 3.13Å; L225-N256 PolarHBondContact O-ND2 3.45Å; A227-N256 PolarHBondContact N-ND2 3.37Å; F230-N256 HydrophobicContact CD2-CB 4.32Å; F230-N256 HydrophobicContact CE2-CB 3.58Å; F230-N256 HydrophobicContact CZ-CB 3.76Å; V244-N256 HydrophobicContact CG1-CB 3.7Å; Y245-N256 CarbonylContact O-C 3.5Å; Y245-N256 WeakPolarHBondContact O-CA 3.5Å; S246-N256 VanDerWaalsContact CB-OD1 3.31Å; S246-N256 WeakPolarHBondContact CB-OD1 3.45Å; S246-N256 PolarHBondContact OG-OD1 3.4Å; D254-N256 PolarHBondContact OD1-ND2 2.75Å
257L98.6Very high97.6Very high35 Ų3543.6 Ų43.618%0.18325%0.246CC..EExtended strand (participates in β ladder)trans-84.4128.2179.7-69169.2000111D223 M224 Y245 Y290D223-L257 WeakPolarHBondContact O-CA 3.5Å; M224-L257 HydrophobicContact CG-CD2 3.65Å; Y245-L257 PolarHBondContact O-N 3.47Å; L257-Y290 HydrophobicContact CB-CD2 3.79Å; L257-Y290 HydrophobicContact CB-CG 3.93Å; L257-Y290 HydrophobicContact CD1-CD1 4.14Å; L257-Y290 HydrophobicContact CD1-CD2 4.31Å; L257-Y290 HydrophobicContact CD1-CG 4.01Å; L257-Y290 HydrophobicContact CD2-CD2 4.04Å; L257-Y290 HydrophobicContact CD2-CE2 4.01Å; L257-Y290 HydrophobicContact CG-CD2 4.28Å; L257-Y290 HydrophobicContact CG-CG 4.4Å
258A98.6Very high97.7Very high3 Ų348.1 Ų48.13%0.02526%0.261CS..  trans-72.8137.8-178.100000113D223 L225 F230 T260 V263 C289 Y290D223-A258 PolarHBondContact O-N 3.02Å; L225-A258 HydrophobicContact CD1-CB 3.92Å; F230-A258 HydrophobicContact CE1-CB 4.43Å; F230-A258 HydrophobicContact CZ-CB 4.25Å; A258-T260 VanDerWaalsContact C-N 3.3Å; A258-T260 WeakPolarHBondContact CB-O 3.41Å; A258-V263 HydrophobicContact CB-CB 4.2Å; A258-V263 HydrophobicContact CB-CG2 4.48Å; A258-C289 WeakPolarHBondContact O-CA 3.43Å; A258-Y290 PolarHBondContact O-N 2.76Å
259G98.1Very high97.8Very high11 Ų1145.3 Ų45.311%0.11325%0.245CC..SBendtrans-87.13.7173.400000114.4C289 Y290 R291G259-C289 WeakPolarHBondContact O-CB 3.31Å; G259-Y290 VanDerWaalsContact CA-O 3.25Å; G259-Y290 WeakPolarHBondContact CA-O 3.19Å; G259-R291 PolarHBondContact O-NE 2.85Å; G259-R291 PolarHBondContact O-NH2 2.91Å
260T98.6Very high98Very high5 Ų541.8 Ų41.83%0.03122%0.22CC..SBendtrans-168.2150.8-176.9172.10000109.8M235 A258 E262 V263 C289 K311 E313M235-T260 HydrophobicContact CE-CG2 3.68Å; A258-T260 VanDerWaalsContact C-N 3.3Å; A258-T260 WeakPolarHBondContact CB-O 3.41Å; T260-E262 HydrophobicContact CG2-CB 3.66Å; T260-E262 PolarHBondContact O-N 3.36Å; T260-E262 WeakPolarHBondContact OG1-CB 3.22Å; T260-E262 PolarHBondContact OG1-N 3.14Å; T260-E262 VanDerWaalsContact OG1-N 3.14Å; T260-V263 HydrophobicContact CG2-CG2 4.08Å; T260-C289 VanDerWaalsContact CA-SG 3.59Å; T260-K311 VanDerWaalsContact OG1-CE 3.26Å; T260-K311 WeakPolarHBondContact OG1-CE 3.46Å; T260-K311 PolarHBondContact OG1-NZ 2.97Å; T260-E313 PolarHBondContact OG1-OE1 2.83Å
261G98.2Very high98.1Very high1 Ų140.1 Ų40.11%0.0120%0.199CC..Hα-helixtrans-63.2-20.4170.100000113.8V263 G264 V265 S287G261-V263 VanDerWaalsContact C-N 3.29Å; G261-V263 PolarHBondContact O-N 3.43Å; G261-G264 PolarHBondContact O-N 3.09Å; G261-G264 VanDerWaalsContact O-N 3.12Å; G261-V265 WeakPolarHBondContact O-CG2 3.22Å; G261-V265 PolarHBondContact O-N 3.17Å; G261-S287 WeakPolarHBondContact CA-OG 3.41Å; G261-S287 PolarHBondContact N-OG 2.89Å
262E98.8Very high98.2Very high16 Ų1637.1 Ų37.18%0.07519%0.193CC..Hα-helixtrans-49.6-45.7176.4-177.4-166.1169.100112.7T260 G264 V265 A266 E313 F315 Q391 N413T260-E262 HydrophobicContact CG2-CB 3.66Å; T260-E262 PolarHBondContact O-N 3.36Å; T260-E262 WeakPolarHBondContact OG1-CB 3.22Å; T260-E262 PolarHBondContact OG1-N 3.14Å; T260-E262 VanDerWaalsContact OG1-N 3.14Å; E262-G264 VanDerWaalsContact C-N 3.33Å; E262-G264 PolarHBondContact O-N 3.35Å; E262-V265 PolarHBondContact O-N 3.07Å; E262-A266 WeakPolarHBondContact O-CB 3.36Å; E262-A266 PolarHBondContact O-N 3.29Å; E262-E313 HydrophobicContact CB-CG 4.48Å; E262-F315 HydrophobicContact CG-CD2 3.95Å; E262-F315 HydrophobicContact CG-CE2 3.9Å; E262-Q391 PolarHBondContact OE1-NE2 2.65Å; E262-N413 HydrophobicContact CG-CB 4.13Å; E262-N413 PolarHBondContact OE1-ND2 2.73Å; E262-N413 VanDerWaalsContact OE1-ND2 3.1Å
263V98.8Very high98.2Very high0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-62.1-43.4-178.1-176.30000110.7L225 V229 F230 M235 A258 T260 G261 G267L225-V263 HydrophobicContact CB-CG1 4.48Å; L225-V263 HydrophobicContact CD1-CB 4.42Å; L225-V263 HydrophobicContact CD1-CG1 4Å; L225-V263 HydrophobicContact CD2-CG1 4.42Å; V229-V263 HydrophobicContact CB-CG1 4.08Å; V229-V263 HydrophobicContact CG1-CG1 3.71Å; V229-V263 WeakPolarHBondContact CG1-O 3.47Å; F230-V263 HydrophobicContact CD1-CG1 4.17Å; F230-V263 HydrophobicContact CD1-CG2 4.11Å; F230-V263 HydrophobicContact CD2-CG1 4Å; F230-V263 HydrophobicContact CE1-CG1 4.21Å; F230-V263 HydrophobicContact CE1-CG2 4.21Å; F230-V263 HydrophobicContact CE2-CG1 4.02Å; F230-V263 HydrophobicContact CG-CG1 4.07Å; F230-V263 HydrophobicContact CZ-CG1 4.13Å; M235-V263 HydrophobicContact CE-CG2 3.82Å; M235-V263 HydrophobicContact SD-CG2 3.7Å; A258-V263 HydrophobicContact CB-CB 4.2Å; A258-V263 HydrophobicContact CB-CG2 4.48Å; T260-V263 HydrophobicContact CG2-CG2 4.08Å; G261-V263 VanDerWaalsContact C-N 3.29Å; G261-V263 PolarHBondContact O-N 3.43Å; V263-G267 PolarHBondContact O-N 3.35Å
264G98.8Very high98.4Very high5 Ų531 Ų315%0.05217%0.168CC..Hα-helixtrans-68.1-36.9178.400000113G261 E262 Y268G261-G264 PolarHBondContact O-N 3.09Å; G261-G264 VanDerWaalsContact O-N 3.12Å; E262-G264 VanDerWaalsContact C-N 3.33Å; E262-G264 PolarHBondContact O-N 3.35Å; G264-Y268 PolarHBondContact O-N 3.19Å; G264-Y268 VanDerWaalsContact O-N 3.16Å
265V98.8Very high98.6Very high1 Ų131.2 Ų31.21%0.00617%0.169CC..Hα-helixtrans-72.9-41.7177.1-179.20000111.4M219 V221 G261 E262 G267 Y268 F269 C285 F315M219-V265 HydrophobicContact SD-CG1 4.23Å; M219-V265 HydrophobicContact SD-CG2 4.45Å; V221-V265 HydrophobicContact CG1-CG2 3.91Å; G261-V265 WeakPolarHBondContact O-CG2 3.22Å; G261-V265 PolarHBondContact O-N 3.17Å; E262-V265 PolarHBondContact O-N 3.07Å; V265-G267 VanDerWaalsContact C-N 3.3Å; V265-G267 PolarHBondContact O-N 3.33Å; V265-Y268 VanDerWaalsContact O-CB 3.32Å; V265-Y268 WeakPolarHBondContact O-CB 3.35Å; V265-Y268 PolarHBondContact O-N 3.06Å; V265-Y268 VanDerWaalsContact O-N 3.07Å; V265-F269 HydrophobicContact CG1-CD2 4.12Å; V265-F269 HydrophobicContact CG1-CE2 3.72Å; V265-F269 VanDerWaalsContact O-CD2 3.24Å; V265-F269 WeakPolarHBondContact O-CD2 3.4Å; V265-F269 PolarHBondContact O-N 2.78Å; V265-C285 HydrophobicContact CG2-CB 3.95Å; V265-F315 HydrophobicContact CB-CB 4.26Å; V265-F315 HydrophobicContact CB-CD1 4.37Å; V265-F315 HydrophobicContact CB-CD2 4.43Å; V265-F315 HydrophobicContact CB-CG 4.11Å; V265-F315 HydrophobicContact CG1-CB 3.79Å; V265-F315 HydrophobicContact CG1-CD1 3.46Å; V265-F315 VanDerWaalsContact CG1-CD1 3.46Å; V265-F315 HydrophobicContact CG1-CD2 4.34Å; V265-F315 HydrophobicContact CG1-CE1 4.1Å; V265-F315 HydrophobicContact CG1-CG 3.6Å
266A98.9Very high98.5Very high0 Ų032.8 Ų32.80%017%0.172CC..Hα-helixtrans-60.5-41.6173.800000111.4C233 E262 Y268 F269 M270 F315 L395C233-A266 WeakPolarHBondContact SG-CB 3.31Å; E262-A266 WeakPolarHBondContact O-CB 3.36Å; E262-A266 PolarHBondContact O-N 3.29Å; A266-Y268 PolarHBondContact O-N 3.11Å; A266-F269 PolarHBondContact O-N 2.95Å; A266-F269 VanDerWaalsContact O-N 3.11Å; A266-M270 PolarHBondContact O-N 3.16Å; A266-F315 HydrophobicContact CB-CE2 4.29Å; A266-F315 HydrophobicContact CB-CZ 4.18Å; A266-L395 HydrophobicContact CB-CD1 3.93Å
267G98.8Very high98.5Very high25 Ų2540.3 Ų40.326%0.25820%0.204SC..Hα-helixtrans-63.2-25.7173.700000114.4V263 V265 F269V263-G267 PolarHBondContact O-N 3.35Å; V265-G267 VanDerWaalsContact C-N 3.3Å; V265-G267 PolarHBondContact O-N 3.33Å; G267-F269 VanDerWaalsContact C-N 3.35Å
268Y98.9Very high98.4Very high147 Ų14742.6 Ų42.658%0.57622%0.216SC*.Hα-helixtrans-69.2-33.8172.6169.9-93.1000112.3M219 G264 V265 A266M219-Y268 HydrophobicContact CE-CD1 3.64Å; M219-Y268 HydrophobicContact CE-CD2 3.66Å; M219-Y268 HydrophobicContact CE-CE1 4.05Å; M219-Y268 HydrophobicContact CE-CE2 4.06Å; M219-Y268 HydrophobicContact CE-CG 3.43Å; M219-Y268 VanDerWaalsContact CE-CG 3.43Å; G264-Y268 PolarHBondContact O-N 3.19Å; G264-Y268 VanDerWaalsContact O-N 3.16Å; V265-Y268 VanDerWaalsContact O-CB 3.32Å; V265-Y268 WeakPolarHBondContact O-CB 3.35Å; V265-Y268 PolarHBondContact O-N 3.06Å; V265-Y268 VanDerWaalsContact O-N 3.07Å; A266-Y268 PolarHBondContact O-N 3.11Å
269F98.9Very high98.4Very high10 Ų1043.9 Ų43.94%0.04422%0.223CC..Hα-helixtrans-89.3-11.5178.6-67.8-70.5000113.7V265 A266 G267 D271 H272 V274 V281 T283 F315 V317 I397V265-F269 HydrophobicContact CG1-CD2 4.12Å; V265-F269 HydrophobicContact CG1-CE2 3.72Å; V265-F269 VanDerWaalsContact O-CD2 3.24Å; V265-F269 WeakPolarHBondContact O-CD2 3.4Å; V265-F269 PolarHBondContact O-N 2.78Å; A266-F269 PolarHBondContact O-N 2.95Å; A266-F269 VanDerWaalsContact O-N 3.11Å; G267-F269 VanDerWaalsContact C-N 3.35Å; F269-D271 PolarHBondContact O-N 3.19Å; F269-H272 PolarHBondContact O-N 3.39Å; F269-H272 VanDerWaalsContact O-N 3.15Å; F269-V274 HydrophobicContact CD1-CG1 3.88Å; F269-V274 HydrophobicContact CE1-CG1 3.71Å; F269-V281 HydrophobicContact CE1-CG1 4.45Å; F269-V281 HydrophobicContact CZ-CG1 4.02Å; F269-T283 HydrophobicContact CE2-CG2 4.5Å; F269-T283 HydrophobicContact CZ-CG2 4.24Å; F269-F315 HydrophobicContact CD2-CD1 4.4Å; F269-F315 AromaticContact CD2-CE1 3.94Å; F269-F315 HydrophobicContact CD2-CE1 3.94Å; F269-F315 HydrophobicContact CE2-CD1 4.09Å; F269-F315 HydrophobicContact CE2-CE1 4.07Å; F269-V317 HydrophobicContact CD1-CG2 4.18Å; F269-V317 HydrophobicContact CD2-CG2 3.75Å; F269-V317 HydrophobicContact CE1-CG2 4.08Å; F269-V317 HydrophobicContact CE2-CG2 3.66Å; F269-V317 HydrophobicContact CG-CG2 4.03Å; F269-V317 HydrophobicContact CZ-CG2 3.83Å; F269-I397 HydrophobicContact CB-CB 4.36Å; F269-I397 HydrophobicContact CB-CD1 3.98Å; F269-I397 HydrophobicContact CB-CG1 3.83Å; F269-I397 HydrophobicContact CB-CG2 3.72Å; F269-I397 HydrophobicContact CG-CG2 4.42Å
270M98.8Very high98.4Very high24 Ų2445.3 Ų45.312%0.11823%0.23CC..THydrogen-bonded Turntrans-56.6130.5-178.6176.8178.3172.500111.2S14 V228 V229 A266 H272 L395S14-M270 VanDerWaalsContact OG-CE 3.29Å; S14-M270 WeakPolarHBondContact OG-CE 3.37Å; V228-M270 HydrophobicContact CG1-CE 4.41Å; V228-M270 HydrophobicContact CG2-CE 4.26Å; V229-M270 HydrophobicContact CG2-SD 4.31Å; A266-M270 PolarHBondContact O-N 3.16Å; M270-H272 PolarHBondContact O-N 3.09Å; M270-H272 PolarHBondContact O-ND1 2.95Å; M270-L395 CarbonylContact C-O 3.5Å; M270-L395 WeakPolarHBondContact CA-O 3.46Å; M270-L395 HydrophobicContact CB-CB 4.2Å; M270-L395 HydrophobicContact CG-CB 4.12Å; M270-L395 HydrophobicContact CG-CD2 4.15Å; M270-L395 WeakPolarHBondContact CG-O 3.49Å; M270-L395 HydrophobicContact SD-CD2 3.84Å
271D98.8Very high98.4Very high58 Ų5846.5 Ų46.531%0.3124%0.237SC..THydrogen-bonded Turntrans58.526-177.4-66.4-49.4000115.2S14 F269 L395 N396S14-D271 WeakPolarHBondContact CB-OD2 3.43Å; S14-D271 PolarHBondContact OG-OD2 2.96Å; F269-D271 PolarHBondContact O-N 3.19Å; D271-L395 PolarHBondContact N-O 3.13Å; D271-N396 PolarHBondContact N-O 2.76Å; D271-N396 VanDerWaalsContact OD1-CB 3.25Å; D271-N396 WeakPolarHBondContact OD1-CB 3.39Å; D271-N396 PolarHBondContact OD1-ND2 2.72Å; D271-N396 VanDerWaalsContact OD1-ND2 3.11Å
272H98.8Very high98.4Very high121 Ų12149.4 Ų49.456%0.5625%0.248SC*.  trans-129.3154.1178.6-67.574.3000112.3F269 M270 L398F269-H272 PolarHBondContact O-N 3.39Å; F269-H272 VanDerWaalsContact O-N 3.15Å; M270-H272 PolarHBondContact O-N 3.09Å; M270-H272 PolarHBondContact O-ND1 2.95Å; H272-L398 PolarHBondContact O-N 3.48Å
273A98.6Very high98.4Very high49 Ų4948.9 Ų48.941%0.40525%0.246SC..EExtended strand (participates in β ladder)trans-108137.6172.200000111.3L398 L406A273-L398 CarbonylContact C-O 3.58Å; A273-L398 VanDerWaalsContact CA-O 3.28Å; A273-L398 WeakPolarHBondContact CA-O 3.42Å; A273-L398 HydrophobicContact CB-CB 3.94Å; A273-L406 HydrophobicContact CB-CD2 3.71Å
274V98.3Very high98.4Very high20 Ų2048.9 Ų48.912%0.12125%0.246CC..EExtended strand (participates in β ladder)trans-94.8151.9168.2-61.40000110.8F269 L279 V281 V317 L398 Y399 E400F269-V274 HydrophobicContact CD1-CG1 3.88Å; F269-V274 HydrophobicContact CE1-CG1 3.71Å; V274-L279 HydrophobicContact CG2-CD2 3.45Å; V274-L279 VanDerWaalsContact CG2-CD2 3.45Å; V274-L279 HydrophobicContact CG2-CG 4.31Å; V274-V281 HydrophobicContact CB-CG2 4.43Å; V274-V281 HydrophobicContact CG1-CG2 4.41Å; V274-V317 HydrophobicContact CG2-CG1 4.08Å; V274-L398 PolarHBondContact N-O 2.98Å; V274-Y399 CarbonylContact O-C 3.48Å; V274-Y399 WeakPolarHBondContact O-CA 3.46Å; V274-Y399 WeakPolarHBondContact O-CB 3.48Å; V274-E400 PolarHBondContact O-N 3.39Å
275N98.1Very high98.4Very high72 Ų7248.7 Ų48.739%0.38524%0.244SC..EExtended strand (participates in β ladder)trans-72.9139.1177.2-51.6-68.7000110.7K277 D278N275-K277 VanDerWaalsContact C-N 3.26Å; N275-K277 HydrophobicContact CB-CG 4.04Å; N275-K277 PolarHBondContact O-N 3.41Å; N275-D278 WeakPolarHBondContact CB-OD2 3.41Å; N275-D278 PolarHBondContact ND2-OD2 3.33Å; N275-D278 WeakPolarHBondContact O-CB 3.33Å; N275-D278 PolarHBondContact O-N 2.84Å
276W97.2Very high98.4Very high80 Ų8050.1 Ų50.130%0.30325%0.254SS..G310 helixtrans-47.1-45.9174.9174.3-100.3000113.9D278 L279 A319 E321 Y399 E400W276-D278 PolarHBondContact O-N 2.99Å; W276-L279 HydrophobicContact CE3-CD1 3.88Å; W276-L279 HydrophobicContact CZ3-CD1 4.14Å; W276-L279 WeakPolarHBondContact O-CB 3.21Å; W276-L279 WeakPolarHBondContact O-CG 3.29Å; W276-L279 PolarHBondContact O-N 3.01Å; W276-L279 VanDerWaalsContact O-N 3.13Å; W276-A319 HydrophobicContact CE3-CB 4.27Å; W276-A319 HydrophobicContact CH2-CB 3.37Å; W276-A319 HydrophobicContact CZ3-CB 3.22Å; W276-E321 HydrophobicContact CH2-CB 4.14Å; W276-E321 HydrophobicContact CH2-CG 3Å; W276-E321 HydrophobicContact CZ2-CG 3.9Å; W276-E321 HydrophobicContact CZ3-CG 3.37Å; W276-E321 WeakPolarHBondContact CZ3-OE1 3.26Å; W276-Y399 AromaticContact CE3-CD2 3.53Å; W276-Y399 HydrophobicContact CE3-CD2 3.53Å; W276-Y399 AromaticContact CE3-CE2 3.32Å; W276-Y399 HydrophobicContact CE3-CE2 3.32Å; W276-Y399 HydrophobicContact CZ3-CD2 4.01Å; W276-Y399 AromaticContact CZ3-CE2 3.4Å; W276-Y399 HydrophobicContact CZ3-CE2 3.4Å; W276-Y399 AromaticContact CZ3-CZ 3.89Å; W276-E400 WeakPolarHBondContact CB-O 3.44Å; W276-E400 PolarHBondContact N-O 2.96Å
277K97.1Very high98.4Very high164 Ų16450.6 Ų50.671%0.71326%0.257SS*.G310 helixtrans-64.9-18.3-178.667.3178.1-176.4-176.60114.6N275N275-K277 VanDerWaalsContact C-N 3.26Å; N275-K277 HydrophobicContact CB-CG 4.04Å; N275-K277 PolarHBondContact O-N 3.41Å
278D97.4Very high98.4Very high82 Ų8251.2 Ų51.244%0.43926%0.256SS..G310 helixtrans-92.4-4.1-179-59-32.9000111.3N275 W276 P280 V281N275-D278 WeakPolarHBondContact CB-OD2 3.41Å; N275-D278 PolarHBondContact ND2-OD2 3.33Å; N275-D278 WeakPolarHBondContact O-CB 3.33Å; N275-D278 PolarHBondContact O-N 2.84Å; W276-D278 PolarHBondContact O-N 2.99Å; D278-P280 CarbonylContact O-C 3.55Å; D278-V281 HydrophobicContact CB-CG2 4.34Å; D278-V281 WeakPolarHBondContact O-CG2 3.23Å; D278-V281 PolarHBondContact O-N 2.77Å
279L97.9Very high98.4Very high31 Ų3144.2 Ų44.216%0.16223%0.229CC..PPolyproline II helixtrans-80.8144.6-179.8-61.4175.3000112.3V274 W276 V281 V317 A319 Y399V274-L279 HydrophobicContact CG2-CD2 3.45Å; V274-L279 VanDerWaalsContact CG2-CD2 3.45Å; V274-L279 HydrophobicContact CG2-CG 4.31Å; W276-L279 HydrophobicContact CE3-CD1 3.88Å; W276-L279 HydrophobicContact CZ3-CD1 4.14Å; W276-L279 WeakPolarHBondContact O-CB 3.21Å; W276-L279 WeakPolarHBondContact O-CG 3.29Å; W276-L279 PolarHBondContact O-N 3.01Å; W276-L279 VanDerWaalsContact O-N 3.13Å; L279-V281 HydrophobicContact CD2-CG2 4.32Å; L279-V317 HydrophobicContact CD2-CG1 4.4Å; L279-V317 WeakPolarHBondContact CD2-O 3.35Å; L279-A319 HydrophobicContact CD1-CB 3.83Å; L279-Y399 HydrophobicContact CD1-CD1 4.22Å; L279-Y399 HydrophobicContact CD1-CD2 4.02Å; L279-Y399 HydrophobicContact CD1-CG 3.75Å
280P98.4Very high98.4Very high41 Ų4146.9 Ų46.927%0.26624%0.239SC..SBendcis-75132.4-9.925.3-27.7000111.9D278 R282 V317 L329D278-P280 CarbonylContact O-C 3.55Å; P280-R282 PolarHBondContact O-NH1 3.08Å; P280-V317 CarbonylContact C-O 3.43Å; P280-V317 WeakPolarHBondContact CA-O 3.39Å; P280-L329 HydrophobicContact CB-CD1 4.42Å; P280-L329 HydrophobicContact CB-CD2 4.15Å
281V98.6Very high98.3Very high30 Ų3049.8 Ų49.818%0.18225%0.248CC..EExtended strand (participates in β ladder)trans-76.1125.2171.9177.20000108F269 V274 D278 L279 T283 G316 V317F269-V281 HydrophobicContact CE1-CG1 4.45Å; F269-V281 HydrophobicContact CZ-CG1 4.02Å; V274-V281 HydrophobicContact CB-CG2 4.43Å; V274-V281 HydrophobicContact CG1-CG2 4.41Å; D278-V281 HydrophobicContact CB-CG2 4.34Å; D278-V281 WeakPolarHBondContact O-CG2 3.23Å; D278-V281 PolarHBondContact O-N 2.77Å; L279-V281 HydrophobicContact CD2-CG2 4.32Å; V281-T283 HydrophobicContact CG1-CG2 4.03Å; V281-G316 VanDerWaalsContact O-CA 3.28Å; V281-G316 WeakPolarHBondContact O-CA 3.38Å; V281-V317 HydrophobicContact CB-CB 4.35Å; V281-V317 PolarHBondContact N-O 3.07Å; V281-V317 PolarHBondContact O-N 3.47Å
282R98.8Very high98.1Very high62 Ų6247.6 Ų47.623%0.23424%0.238CC..EExtended strand (participates in β ladder)trans-116.2122.4179.5-62.9178.6-177.975.9-1.6109.6F216 V217 P280 L329 E332F216-R282 WeakPolarHBondContact CA-O 3.16Å; F216-R282 HydrophobicContact CD1-CB 3.8Å; F216-R282 HydrophobicContact CD2-CB 4.11Å; F216-R282 HydrophobicContact CE1-CB 3.96Å; F216-R282 HydrophobicContact CE2-CB 4.27Å; F216-R282 HydrophobicContact CE2-CG 4.49Å; F216-R282 HydrophobicContact CG-CB 3.89Å; F216-R282 HydrophobicContact CZ-CB 4.21Å; F216-R282 HydrophobicContact CZ-CG 4.41Å; V217-R282 PolarHBondContact N-O 3.03Å; P280-R282 PolarHBondContact O-NH1 3.08Å; R282-L329 HydrophobicContact CG-CD1 4.45Å; R282-E332 WeakPolarHBondContact CD-OE1 3.44Å; R282-E332 IonicContact CZ-OE1 3.95Å; R282-E332 IonicContact CZ-OE2 2.68Å; R282-E332 IonicContact NE-OE1 3.93Å; R282-E332 PolarHBondContact NE-OE1 3.03Å; R282-E332 IonicContact NE-OE2 2.68Å; R282-E332 PolarHBondContact NE-OE2 3.28Å; R282-E332 IonicContact NH2-OE1 2.99Å; R282-E332 IonicContact NH2-OE2 3.59Å; R282-E332 PolarHBondContact NH2-OE2 3.38Å
283T98.8Very high97.7Very high4 Ų442.6 Ų42.63%0.02522%0.215CC..EExtended strand (participates in β ladder)trans-124.3146.1-179.864.20000110.8F216 V217 M219 F269 V281 F315F216-T283 WeakPolarHBondContact CD1-O 3.38Å; V217-T283 CarbonylContact O-C 3.47Å; V217-T283 VanDerWaalsContact O-CA 3.27Å; V217-T283 WeakPolarHBondContact O-CA 3.15Å; M219-T283 HydrophobicContact CG-CG2 4.43Å; M219-T283 HydrophobicContact SD-CG2 3.62Å; F269-T283 HydrophobicContact CE2-CG2 4.5Å; F269-T283 HydrophobicContact CZ-CG2 4.24Å; V281-T283 HydrophobicContact CG1-CG2 4.03Å; T283-F315 PolarHBondContact N-O 2.93Å; T283-F315 PolarHBondContact O-N 3.33Å; T283-F315 PolarHBondContact OG1-O 2.94Å
284V98.9Very high96.8Very high0 Ų042.5 Ų42.50%021%0.21CC..EExtended strand (participates in β ladder)trans-124.6130.8174.662.20000109.9L208 L211 F216 V217 P218 M219 V312 E313L208-V284 HydrophobicContact CD2-CG1 4.04Å; L208-V284 HydrophobicContact CD2-CG2 3.76Å; L211-V284 HydrophobicContact CB-CB 4.42Å; L211-V284 HydrophobicContact CB-CG2 4.37Å; L211-V284 HydrophobicContact CD1-CB 4.13Å; L211-V284 HydrophobicContact CD1-CG2 3.45Å; L211-V284 VanDerWaalsContact CD1-CG2 3.45Å; F216-V284 HydrophobicContact CB-CB 4.1Å; F216-V284 HydrophobicContact CB-CG1 3.91Å; F216-V284 HydrophobicContact CD1-CB 4.18Å; V217-V284 PolarHBondContact O-N 3.12Å; P218-V284 CarbonylContact C-O 3.48Å; P218-V284 VanDerWaalsContact CA-O 3.31Å; P218-V284 WeakPolarHBondContact CA-O 3.49Å; P218-V284 HydrophobicContact CB-CG1 4.15Å; M219-V284 PolarHBondContact N-O 3.5Å; V284-V312 HydrophobicContact CG2-CG1 3.48Å; V284-V312 VanDerWaalsContact CG2-CG1 3.48Å; V284-E313 CarbonylContact C-O 3.58Å; V284-E313 VanDerWaalsContact CA-O 3.24Å; V284-E313 WeakPolarHBondContact CA-O 3.39Å
285C98.6Very high95.4Very high1 Ų147.7 Ų47.71%0.00724%0.237CC..EExtended strand (participates in β ladder)trans-128130.3179.7-175.90000110.7M219 V265 V312 E313M219-C285 WeakPolarHBondContact O-CA 3.27Å; M219-C285 PolarHBondContact O-SG 3.28Å; V265-C285 HydrophobicContact CG2-CB 3.95Å; C285-V312 CarbonylContact O-C 3.6Å; C285-V312 WeakPolarHBondContact O-CA 3.37Å; C285-E313 PolarHBondContact N-O 3.48Å; C285-E313 PolarHBondContact O-N 2.86Å
286S98.6Very high93.4Very high32 Ų3249.5 Ų49.522%0.22425%0.251CS..EExtended strand (participates in β ladder)trans-104.5121.4164.8-164.60000110.2Q204 K311Q204-S286 PolarHBondContact NE2-OG 3.23Å; S286-K311 VanDerWaalsContact CA-O 3.3Å; S286-K311 WeakPolarHBondContact CA-O 3.46Å; S286-K311 PolarHBondContact OG-O 2.93Å
287S98.6Very high91.4Very high10 Ų1049 Ų497%0.0727%0.27CS..EExtended strand (participates in β ladder)trans-137.4169.5-17870.30000112.1G261 N310 K311G261-S287 WeakPolarHBondContact CA-OG 3.41Å; G261-S287 PolarHBondContact N-OG 2.89Å; S287-N310 WeakPolarHBondContact O-CA 3.47Å; S287-N310 PolarHBondContact O-ND2 2.9Å; S287-N310 VanDerWaalsContact O-ND2 3.15Å; S287-K311 PolarHBondContact N-O 2.97Å; S287-K311 VanDerWaalsContact N-O 3.12Å; S287-K311 PolarHBondContact O-N 3.33Å; S287-K311 VanDerWaalsContact O-N 3.13Å
288T98.8Very high89.7Confident38 Ų3850.9 Ų50.923%0.23327%0.272CS..EExtended strand (participates in β ladder)trans-93.2123.7168-53.50000108Y290 F309 N310T288-Y290 HydrophobicContact CG2-CE1 4.11Å; T288-Y290 HydrophobicContact CG2-CE2 3.92Å; T288-Y290 WeakPolarHBondContact O-CE2 3.47Å; T288-F309 CarbonylContact C-O 3.55Å; T288-N310 PolarHBondContact OG1-ND2 3.49Å; T288-N310 VanDerWaalsContact OG1-ND2 3.13Å
289C98.8Very high88.7Confident0 Ų049.5 Ų49.50%026%0.263CS..EExtended strand (participates in β ladder)trans-99.8138-178-61.20000110.1A258 G259 T260 H308 F309 K311A258-C289 WeakPolarHBondContact O-CA 3.43Å; G259-C289 WeakPolarHBondContact O-CB 3.31Å; T260-C289 VanDerWaalsContact CA-SG 3.59Å; C289-H308 CarbonylContact O-C 3.58Å; C289-H308 VanDerWaalsContact O-CA 3.28Å; C289-H308 WeakPolarHBondContact O-CA 3.27Å; C289-F309 HydrophobicContact CB-CD1 4.11Å; C289-F309 HydrophobicContact CB-CD2 3.92Å; C289-F309 HydrophobicContact CB-CE1 3.77Å; C289-F309 HydrophobicContact CB-CE2 3.57Å; C289-F309 HydrophobicContact CB-CG 4.18Å; C289-F309 HydrophobicContact CB-CZ 3.48Å; C289-F309 VanDerWaalsContact CB-CZ 3.48Å; C289-F309 WeakPolarHBondContact CB-O 3.37Å; C289-F309 PolarHBondContact N-O 2.88Å; C289-F309 PolarHBondContact O-N 3.44Å; C289-K311 VanDerWaalsContact SG-CB 3.59Å
290Y98.6Very high88Confident65 Ų6551.5 Ų51.526%0.25528%0.284SS..EExtended strand (participates in β ladder)trans-122.8124.7178.8-53.9-92.8000110.3D223 L257 A258 G259 T288 H307 H308D223-Y290 HydrophobicContact CB-CE2 4.46Å; L257-Y290 HydrophobicContact CB-CD2 3.79Å; L257-Y290 HydrophobicContact CB-CG 3.93Å; L257-Y290 HydrophobicContact CD1-CD1 4.14Å; L257-Y290 HydrophobicContact CD1-CD2 4.31Å; L257-Y290 HydrophobicContact CD1-CG 4.01Å; L257-Y290 HydrophobicContact CD2-CD2 4.04Å; L257-Y290 HydrophobicContact CD2-CE2 4.01Å; L257-Y290 HydrophobicContact CG-CD2 4.28Å; L257-Y290 HydrophobicContact CG-CG 4.4Å; A258-Y290 PolarHBondContact O-N 2.76Å; G259-Y290 VanDerWaalsContact CA-O 3.25Å; G259-Y290 WeakPolarHBondContact CA-O 3.19Å; T288-Y290 HydrophobicContact CG2-CE1 4.11Å; T288-Y290 HydrophobicContact CG2-CE2 3.92Å; T288-Y290 WeakPolarHBondContact O-CE2 3.47Å; Y290-H307 CarbonylContact C-O 3.57Å; Y290-H307 VanDerWaalsContact CA-O 3.31Å; Y290-H307 WeakPolarHBondContact CA-O 3.48Å; Y290-H308 HydrophobicContact CD1-CB 4.34Å
291R96.6Very high87.6Confident86 Ų8657.3 Ų57.333%0.32530%0.301SS..  trans-133.5130.7179.2-63-173.9-175.2-171.7-2111.2Q243 Y245 G259 E293 H307 F309Q243-R291 WeakPolarHBondContact O-CA 3.36Å; Y245-R291 VanDerWaalsContact CE2-C 3.48Å; Y245-R291 WeakPolarHBondContact CE2-O 3.47Å; G259-R291 PolarHBondContact O-NE 2.85Å; G259-R291 PolarHBondContact O-NH2 2.91Å; R291-E293 VanDerWaalsContact C-N 3.3Å; R291-E293 HydrophobicContact CB-CG 3.91Å; R291-E293 WeakPolarHBondContact CB-OE1 3.37Å; R291-E293 WeakPolarHBondContact CD-OE1 3.46Å; R291-E293 PolarHBondContact O-N 2.96Å; R291-H307 PolarHBondContact N-O 3.31Å; R291-H307 VanDerWaalsContact O-CA 3.32Å; R291-H307 WeakPolarHBondContact O-CA 3.41Å; R291-H307 PolarHBondContact O-ND1 3.44Å; R291-F309 HydrophobicContact CG-CE1 4.16Å
292A94.1Very high87.4Confident12 Ų1256 Ų5610%0.09929%0.293CS..  trans-72-26-177.600000112.4Q243 Y245 T294 H307Q243-A292 PolarHBondContact O-N 3.16Å; Y245-A292 HydrophobicContact CD2-CB 4.47Å; Y245-A292 HydrophobicContact CE1-CB 4.24Å; Y245-A292 HydrophobicContact CE2-CB 4.18Å; A292-T294 HydrophobicContact CB-CG2 3.77Å; A292-T294 PolarHBondContact O-N 2.87Å; A292-T294 VanDerWaalsContact O-N 3.13Å; A292-H307 PolarHBondContact O-CE1 2.68Å; A292-H307 PolarHBondContact O-ND1 3.39Å
293E91.3Very high87.4Confident15 Ų1553 Ų537%0.0728%0.282CS..  trans48.444.1174.1-59.1-63.6160.600111.8R188 R291 D295 R305R188-E293 VanDerWaalsContact NH1-CB 3.32Å; R188-E293 PolarHBondContact NH1-O 2.64Å; R188-E293 PolarHBondContact NH2-O 2.85Å; R291-E293 VanDerWaalsContact C-N 3.3Å; R291-E293 HydrophobicContact CB-CG 3.91Å; R291-E293 WeakPolarHBondContact CB-OE1 3.37Å; R291-E293 WeakPolarHBondContact CD-OE1 3.46Å; R291-E293 PolarHBondContact O-N 2.96Å; E293-D295 PolarHBondContact O-N 3.35Å; E293-R305 HydrophobicContact CB-CG 4.27Å; E293-R305 HydrophobicContact CG-CG 3.94Å; E293-R305 VanDerWaalsContact OE2-CD 3.27Å; E293-R305 WeakPolarHBondContact OE2-CD 3.35Å; E293-R305 WeakPolarHBondContact OE2-CG 3.38Å; E293-R305 IonicContact OE2-CZ 2.68Å; E293-R305 IonicContact OE2-NE 3.31Å; E293-R305 IonicContact OE2-NH1 3.43Å; E293-R305 PolarHBondContact OE2-NH1 2.96Å
294T79.1Confident87.2Confident47 Ų4754.3 Ų54.329%0.28829%0.287SS..  trans-70.8-14.8-170.747.90000113.7L241 Q243 A292 T296L241-T294 PolarHBondContact O-OG1 2.92Å; Q243-T294 PolarHBondContact NE2-OG1 2.57Å; A292-T294 HydrophobicContact CB-CG2 3.77Å; A292-T294 PolarHBondContact O-N 2.87Å; A292-T294 VanDerWaalsContact O-N 3.13Å; T294-T296 WeakPolarHBondContact O-CG2 3.48Å; T294-T296 PolarHBondContact O-N 2.99Å; T294-T296 VanDerWaalsContact O-N 3.13Å
295D70.1Confident87.1Confident130 Ų13058.5 Ų58.570%0.69530%0.303SS*.  trans-78.392.1164.7-171.96.3000109.2E293 G297E293-D295 PolarHBondContact O-N 3.35Å; D295-G297 PolarHBondContact O-N 2.97Å
296T55.5Low87Confident110 Ų11058.7 Ų58.768%0.67530%0.304SS*.  trans-9211.4-158.747.20000115.2T294 R298T294-T296 WeakPolarHBondContact O-CG2 3.48Å; T294-T296 PolarHBondContact O-N 2.99Å; T294-T296 VanDerWaalsContact O-N 3.13Å; T296-R298 PolarHBondContact O-N 2.83Å
297G55.2Low86.9Confident68 Ų6858.8 Ų58.870%0.70130%0.301SS*.SBendtrans-77.9-19-170.400000116.3D295D295-G297 PolarHBondContact O-N 2.97Å
298R61.6Low86.9Confident204 Ų20461.1 Ų61.177%0.7731%0.311SS*.SBendtrans-131.3124.5-166.1-60.5-179.2-177.1176.42.6110.9T296T296-R298 PolarHBondContact O-N 2.83Å
299E76.9Confident86.9Confident54 Ų5460.1 Ų60.125%0.25230%0.303SS..  trans75.881.9167.6-53.7174.9179.400118.2Y304 R375E299-Y304 WeakPolarHBondContact OE2-CB 3.14Å; E299-Y304 WeakPolarHBondContact OE2-CD1 3.41Å; E299-Y304 VanDerWaalsContact OE2-CG 3.32Å; E299-R375 IonicContact OE1-CZ 3.3Å; E299-R375 IonicContact OE1-NH1 2.65Å; E299-R375 PolarHBondContact OE1-NH1 3.44Å; E299-R375 IonicContact OE1-NH2 3.22Å; E299-R375 PolarHBondContact OE1-NH2 3Å; E299-R375 IonicContact OE2-NH1 2.9Å
300A81.7Confident86.9Confident73 Ų7361.3 Ų61.360%0.60331%0.309SS*.SBendtrans-75.9-18.7176.200000115
301W90.1Very high86.9Confident162 Ų16258.6 Ų58.661%0.61430%0.299SS*.SBendtrans-133.9156.3-175.5-63.696.6000110.8Q178 R179Q178-W301 HydrophobicContact CB-CE3 3.93Å; Q178-W301 HydrophobicContact CB-CZ3 3.84Å; R179-W301 HydrophobicContact CG-CZ3 4.43Å
302G95.8Very high87Confident2 Ų254.5 Ų54.52%0.02128%0.283CS..SBendtrans91.4-178.4-174.600000113.3H166 V167 Q178H166-G302 WeakPolarHBondContact NE2-CA 3.5Å; V167-G302 VanDerWaalsContact CG2-CA 3.44Å; Q178-G302 PolarHBondContact NE2-O 2.59Å
303L97.3Very high87.2Confident1 Ų154 Ų541%0.00528%0.279CS..SBendtrans-101.93.4-173.2-63.7-173.1000113.5H166 I176 Y190 V306 P420 I423 I424H166-L303 PolarHBondContact NE2-N 3.06Å; I176-L303 HydrophobicContact CD1-CD1 3.56Å; I176-L303 HydrophobicContact CD1-CG 4.19Å; I176-L303 HydrophobicContact CG1-CD1 4.16Å; I176-L303 HydrophobicContact CG2-CD2 4.39Å; Y190-L303 HydrophobicContact CD1-CD2 3.63Å; Y190-L303 HydrophobicContact CD2-CD2 3.83Å; Y190-L303 HydrophobicContact CE1-CD2 4.09Å; Y190-L303 HydrophobicContact CE2-CD2 4.29Å; Y190-L303 HydrophobicContact CG-CD2 3.48Å; Y190-L303 VanDerWaalsContact CG-CD2 3.48Å; L303-V306 HydrophobicContact CD2-CG1 4.46Å; L303-P420 HydrophobicContact CB-CB 4Å; L303-P420 WeakPolarHBondContact O-CB 3.33Å; L303-I423 HydrophobicContact CD1-CB 4.31Å; L303-I423 HydrophobicContact CD1-CG2 3.95Å; L303-I424 HydrophobicContact CB-CD1 4.06Å; L303-I424 HydrophobicContact CB-CG1 4.08Å
304Y96Very high87.6Confident31 Ų3153.3 Ų53.312%0.12228%0.276CS..SBendtrans-75-37-168.6-171.7-79.9000112.7E299 M372 G379 R421 I424E299-Y304 WeakPolarHBondContact OE2-CB 3.14Å; E299-Y304 WeakPolarHBondContact OE2-CD1 3.41Å; E299-Y304 VanDerWaalsContact OE2-CG 3.32Å; Y304-M372 HydrophobicContact CD2-CE 4.11Å; Y304-M372 HydrophobicContact CD2-SD 3.84Å; Y304-M372 HydrophobicContact CE2-CE 3.87Å; Y304-M372 HydrophobicContact CE2-SD 3.79Å; Y304-G379 WeakPolarHBondContact OH-CA 3.34Å; Y304-R421 HydrophobicContact CD2-CG 4.41Å; Y304-R421 PolarHBondContact O-NE 2.97Å; Y304-R421 PolarHBondContact O-NH2 3.3Å; Y304-I424 HydrophobicContact CD2-CD1 4.11Å; Y304-I424 HydrophobicContact CG-CD1 4.45Å
305R95.3Very high88.5Confident88 Ų8851.1 Ų51.133%0.33226%0.262SS..SBendtrans-133.2112.9170.7-170.5174.3-67.8-105.25.8109.5R188 E293R188-R305 WeakPolarHBondContact CD-O 3.14Å; E293-R305 HydrophobicContact CB-CG 4.27Å; E293-R305 HydrophobicContact CG-CG 3.94Å; E293-R305 VanDerWaalsContact OE2-CD 3.27Å; E293-R305 WeakPolarHBondContact OE2-CD 3.35Å; E293-R305 WeakPolarHBondContact OE2-CG 3.38Å; E293-R305 IonicContact OE2-CZ 2.68Å; E293-R305 IonicContact OE2-NE 3.31Å; E293-R305 IonicContact OE2-NH1 3.43Å; E293-R305 PolarHBondContact OE2-NH1 2.96Å
306V96.4Very high89.9Confident5 Ų545 Ų453%0.0323%0.229CC..  trans-138.8157.2-172.1-67.50000110.6R188 Y190 L303 H308 F309 P420R188-V306 WeakPolarHBondContact O-CG1 3.3Å; Y190-V306 HydrophobicContact CD1-CB 4.23Å; Y190-V306 HydrophobicContact CD1-CG1 3.92Å; Y190-V306 HydrophobicContact CE1-CB 3.97Å; Y190-V306 HydrophobicContact CE1-CG1 4.01Å; Y190-V306 HydrophobicContact CE1-CG2 3.86Å; L303-V306 HydrophobicContact CD2-CG1 4.46Å; V306-H308 WeakPolarHBondContact CG2-O 3.16Å; V306-F309 HydrophobicContact CG2-CB 4.16Å; V306-F309 HydrophobicContact CG2-CD1 4.19Å; V306-P420 HydrophobicContact CG2-CB 4.27Å; V306-P420 HydrophobicContact CG2-CG 4Å
307H96.9Very high92Very high34 Ų3439.7 Ų39.716%0.15720%0.197CC..SBendtrans-81.3-23.4-176.5-68.8-59.6000115H187 R188 Y245 Y290 R291 A292H187-H307 PolarHBondContact O-CD2 3.48Å; H187-H307 VanDerWaalsContact O-CD2 3.26Å; R188-H307 PolarHBondContact NE-NE2 3.11Å; R188-H307 VanDerWaalsContact NE-NE2 3.2Å; R188-H307 PolarHBondContact NH2-CE1 3.39Å; R188-H307 PolarHBondContact NH2-NE2 3.4Å; Y245-H307 HydrophobicContact CE2-CB 4.48Å; Y245-H307 PolarHBondContact OH-ND1 2.97Å; Y245-H307 VanDerWaalsContact OH-ND1 3.14Å; Y290-H307 CarbonylContact C-O 3.57Å; Y290-H307 VanDerWaalsContact CA-O 3.31Å; Y290-H307 WeakPolarHBondContact CA-O 3.48Å; R291-H307 PolarHBondContact N-O 3.31Å; R291-H307 VanDerWaalsContact O-CA 3.32Å; R291-H307 WeakPolarHBondContact O-CA 3.41Å; R291-H307 PolarHBondContact O-ND1 3.44Å; A292-H307 PolarHBondContact O-CE1 2.68Å; A292-H307 PolarHBondContact O-ND1 3.39Å
308H98.4Very high94Very high59 Ų5936.7 Ų36.727%0.27317%0.165SC..EExtended strand (participates in β ladder)trans-135.9140.9179.875.188000108.7Y190 C289 Y290 V306Y190-H308 AromaticContact CD1-NE2 3.99Å; Y190-H308 AromaticContact CE1-CE1 3.77Å; Y190-H308 VanDerWaalsContact CE1-O 3.23Å; Y190-H308 WeakPolarHBondContact CE1-O 3.31Å; Y190-H308 AromaticContact CZ-CE1 3.86Å; Y190-H308 PolarHBondContact OH-O 3.03Å; C289-H308 CarbonylContact O-C 3.58Å; C289-H308 VanDerWaalsContact O-CA 3.28Å; C289-H308 WeakPolarHBondContact O-CA 3.27Å; Y290-H308 HydrophobicContact CD1-CB 4.34Å; V306-H308 WeakPolarHBondContact CG2-O 3.16Å
309F98.8Very high95.8Very high16 Ų1627.1 Ų27.17%0.0713%0.13CC..EExtended strand (participates in β ladder)trans-165.4159.4175.258.5-83.2000112.1T288 C289 R291 V306 K311 P420T288-F309 CarbonylContact C-O 3.55Å; C289-F309 HydrophobicContact CB-CD1 4.11Å; C289-F309 HydrophobicContact CB-CD2 3.92Å; C289-F309 HydrophobicContact CB-CE1 3.77Å; C289-F309 HydrophobicContact CB-CE2 3.57Å; C289-F309 HydrophobicContact CB-CG 4.18Å; C289-F309 HydrophobicContact CB-CZ 3.48Å; C289-F309 VanDerWaalsContact CB-CZ 3.48Å; C289-F309 WeakPolarHBondContact CB-O 3.37Å; C289-F309 PolarHBondContact N-O 2.88Å; C289-F309 PolarHBondContact O-N 3.44Å; R291-F309 HydrophobicContact CG-CE1 4.16Å; V306-F309 HydrophobicContact CG2-CB 4.16Å; V306-F309 HydrophobicContact CG2-CD1 4.19Å; F309-K311 HydrophobicContact CD2-CB 4.34Å; F309-K311 HydrophobicContact CE2-CB 4.11Å; F309-K311 HydrophobicContact CE2-CD 4.32Å; F309-P420 HydrophobicContact CB-CG 3.18Å; F309-P420 HydrophobicContact CD2-CG 4.29Å; F309-P420 HydrophobicContact CG-CG 3.89Å
310N98.7Very high96.7Very high26 Ų2627.6 Ų27.614%0.13913%0.134CC..EExtended strand (participates in β ladder)trans-90144.1169.2-71.297.8000111.4Q200 S287 T288 I419Q200-N310 PolarHBondContact NE2-OD1 2.54Å; S287-N310 WeakPolarHBondContact O-CA 3.47Å; S287-N310 PolarHBondContact O-ND2 2.9Å; S287-N310 VanDerWaalsContact O-ND2 3.15Å; T288-N310 PolarHBondContact OG1-ND2 3.49Å; T288-N310 VanDerWaalsContact OG1-ND2 3.13Å; N310-I419 HydrophobicContact CB-CG1 3.92Å; N310-I419 WeakPolarHBondContact O-CB 3.32Å; N310-I419 WeakPolarHBondContact O-CG1 3.44Å; N310-I419 PolarHBondContact O-N 2.88Å; N310-I419 VanDerWaalsContact O-N 3.11Å
311K98.8Very high97.3Very high7 Ų727.3 Ų27.33%0.0312%0.12CC..EExtended strand (participates in β ladder)trans-135.8146.6175-168.7170.469.8131.40109.8T260 S286 S287 C289 F309 E313 T415 C417T260-K311 VanDerWaalsContact OG1-CE 3.26Å; T260-K311 WeakPolarHBondContact OG1-CE 3.46Å; T260-K311 PolarHBondContact OG1-NZ 2.97Å; S286-K311 VanDerWaalsContact CA-O 3.3Å; S286-K311 WeakPolarHBondContact CA-O 3.46Å; S286-K311 PolarHBondContact OG-O 2.93Å; S287-K311 PolarHBondContact N-O 2.97Å; S287-K311 VanDerWaalsContact N-O 3.12Å; S287-K311 PolarHBondContact O-N 3.33Å; S287-K311 VanDerWaalsContact O-N 3.13Å; C289-K311 VanDerWaalsContact SG-CB 3.59Å; F309-K311 HydrophobicContact CD2-CB 4.34Å; F309-K311 HydrophobicContact CE2-CB 4.11Å; F309-K311 HydrophobicContact CE2-CD 4.32Å; K311-E313 WeakPolarHBondContact CE-OE2 3.46Å; K311-E313 IonicContact NZ-OE1 3.5Å; K311-E313 PolarHBondContact NZ-OE1 3.06Å; K311-E313 IonicContact NZ-OE2 3.1Å; K311-E313 PolarHBondContact NZ-OE2 3.17Å; K311-T415 HydrophobicContact CD-CG2 3.88Å; K311-T415 HydrophobicContact CG-CG2 4.07Å; K311-T415 PolarHBondContact NZ-OG1 3.15Å; K311-C417 CarbonylContact C-O 3.58Å; K311-C417 WeakPolarHBondContact CA-O 3.38Å
312V98.9Very high97.6Very high0 Ų024.1 Ų24.10%012%0.118CC..EExtended strand (participates in β ladder)trans-105.6122.7163.2-175.30000107.5Q204 A207 L208 L211 V284 C285 A416 C417Q204-V312 HydrophobicContact CB-CG2 4.25Å; Q204-V312 HydrophobicContact CG-CG2 4.23Å; A207-V312 HydrophobicContact CB-CB 4.1Å; A207-V312 HydrophobicContact CB-CG1 4.03Å; A207-V312 HydrophobicContact CB-CG2 4.11Å; L208-V312 HydrophobicContact CD2-CG1 4.19Å; L208-V312 HydrophobicContact CG-CG1 4.39Å; L211-V312 HydrophobicContact CD1-CG1 4.4Å; V284-V312 HydrophobicContact CG2-CG1 3.48Å; V284-V312 VanDerWaalsContact CG2-CG1 3.48Å; C285-V312 CarbonylContact O-C 3.6Å; C285-V312 WeakPolarHBondContact O-CA 3.37Å; V312-A416 HydrophobicContact CB-CB 4.16Å; V312-A416 HydrophobicContact CG1-CB 4Å; V312-A416 WeakPolarHBondContact O-CB 3.38Å; V312-A416 PolarHBondContact O-N 3.2Å; V312-C417 HydrophobicContact CB-CB 4.21Å; V312-C417 HydrophobicContact CG2-CB 4.39Å; V312-C417 PolarHBondContact N-O 3Å; V312-C417 PolarHBondContact O-N 2.76Å
313E98.8Very high97.6Very high3 Ų326.1 Ų26.11%0.01414%0.14CC..EExtended strand (participates in β ladder)trans-113.8134.8-174-170.273.6139.700111.1T260 E262 V284 C285 K311 T415T260-E313 PolarHBondContact OG1-OE1 2.83Å; E262-E313 HydrophobicContact CB-CG 4.48Å; V284-E313 CarbonylContact C-O 3.58Å; V284-E313 VanDerWaalsContact CA-O 3.24Å; V284-E313 WeakPolarHBondContact CA-O 3.39Å; C285-E313 PolarHBondContact N-O 3.48Å; C285-E313 PolarHBondContact O-N 2.86Å; K311-E313 WeakPolarHBondContact CE-OE2 3.46Å; K311-E313 IonicContact NZ-OE1 3.5Å; K311-E313 PolarHBondContact NZ-OE1 3.06Å; K311-E313 IonicContact NZ-OE2 3.1Å; K311-E313 PolarHBondContact NZ-OE2 3.17Å; E313-T415 WeakPolarHBondContact OE2-CA 3.47Å
314M98.9Very high97.6Very high0 Ų031.4 Ų31.40%016%0.164CC..EExtended strand (participates in β ladder)trans-94.3133.3164.7-66.6-177.8-73.600109.1L211 F216 Y333 L336 Q337 N413 A414 A416L211-M314 HydrophobicContact CD1-CG 3.63Å; L211-M314 HydrophobicContact CD1-SD 4.07Å; L211-M314 HydrophobicContact CD2-CG 4Å; L211-M314 HydrophobicContact CD2-SD 3.38Å; L211-M314 WeakPolarHBondContact CD2-SD 3.4Å; L211-M314 HydrophobicContact CG-CG 4.48Å; L211-M314 HydrophobicContact CG-SD 4.39Å; F216-M314 HydrophobicContact CD1-CG 4.34Å; F216-M314 HydrophobicContact CE1-CB 3.84Å; F216-M314 HydrophobicContact CE1-CG 3.65Å; F216-M314 HydrophobicContact CE1-SD 3.96Å; F216-M314 HydrophobicContact CZ-CG 4.17Å; F216-M314 HydrophobicContact CZ-SD 3.84Å; M314-Y333 HydrophobicContact CB-CD2 3.86Å; M314-Y333 HydrophobicContact CB-CE2 3.67Å; M314-Y333 HydrophobicContact CB-CG 4.43Å; M314-Y333 HydrophobicContact CE-CG 4.37Å; M314-Y333 HydrophobicContact SD-CD1 4.34Å; M314-Y333 HydrophobicContact SD-CG 4.25Å; M314-L336 HydrophobicContact CE-CB 4.47Å; M314-L336 HydrophobicContact SD-CB 4.26Å; M314-L336 HydrophobicContact SD-CD1 4.04Å; M314-Q337 HydrophobicContact CE-CG 3.79Å; M314-N413 CarbonylContact O-C 3.52Å; M314-N413 WeakPolarHBondContact O-CA 3.2Å; M314-A414 HydrophobicContact CB-CB 4.27Å; M314-A414 WeakPolarHBondContact CB-O 3.42Å; M314-A414 HydrophobicContact CE-CB 3.7Å; M314-A414 PolarHBondContact N-O 3.24Å; M314-A414 PolarHBondContact O-N 3.18Å; M314-A416 HydrophobicContact CE-CB 4.3Å; M314-A416 HydrophobicContact CG-CB 4.18Å
315F98.9Very high97.7Very high1 Ų131.3 Ų31.30%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-138.7131.8174.1-170.6-80000110.2E262 V265 A266 F269 T283 V317 Y333 T411 V412 N413E262-F315 HydrophobicContact CG-CD2 3.95Å; E262-F315 HydrophobicContact CG-CE2 3.9Å; V265-F315 HydrophobicContact CB-CB 4.26Å; V265-F315 HydrophobicContact CB-CD1 4.37Å; V265-F315 HydrophobicContact CB-CD2 4.43Å; V265-F315 HydrophobicContact CB-CG 4.11Å; V265-F315 HydrophobicContact CG1-CB 3.79Å; V265-F315 HydrophobicContact CG1-CD1 3.46Å; V265-F315 VanDerWaalsContact CG1-CD1 3.46Å; V265-F315 HydrophobicContact CG1-CD2 4.34Å; V265-F315 HydrophobicContact CG1-CE1 4.1Å; V265-F315 HydrophobicContact CG1-CG 3.6Å; A266-F315 HydrophobicContact CB-CE2 4.29Å; A266-F315 HydrophobicContact CB-CZ 4.18Å; F269-F315 HydrophobicContact CD2-CD1 4.4Å; F269-F315 AromaticContact CD2-CE1 3.94Å; F269-F315 HydrophobicContact CD2-CE1 3.94Å; F269-F315 HydrophobicContact CE2-CD1 4.09Å; F269-F315 HydrophobicContact CE2-CE1 4.07Å; T283-F315 PolarHBondContact N-O 2.93Å; T283-F315 PolarHBondContact O-N 3.33Å; T283-F315 PolarHBondContact OG1-O 2.94Å; F315-V317 HydrophobicContact CD1-CG2 4.28Å; F315-V317 HydrophobicContact CE1-CG2 3.74Å; F315-Y333 VanDerWaalsContact C-OH 3.28Å; F315-Y333 PolarHBondContact O-OH 2.85Å; F315-T411 HydrophobicContact CE1-CG2 4.33Å; F315-T411 HydrophobicContact CZ-CG2 3.96Å; F315-V412 CarbonylContact C-O 3.56Å; F315-V412 WeakPolarHBondContact CA-O 3.38Å; F315-N413 HydrophobicContact CD2-CB 4.09Å
316G98.9Very high97.9Very high0 Ų027.2 Ų27.20%015%0.15CC..EExtended strand (participates in β ladder)trans-124.5136.7-173.200000111.9V281 Y333 T411 V412V281-G316 VanDerWaalsContact O-CA 3.28Å; V281-G316 WeakPolarHBondContact O-CA 3.38Å; G316-Y333 VanDerWaalsContact CA-OH 3.24Å; G316-Y333 WeakPolarHBondContact CA-OH 3.31Å; G316-Y333 PolarHBondContact N-OH 3.14Å; G316-T411 WeakPolarHBondContact O-CA 3.5Å; G316-V412 PolarHBondContact N-O 3.15Å; G316-V412 PolarHBondContact O-N 3.11Å
317V98.9Very high98Very high0 Ų028.8 Ų28.80%016%0.161CC..EExtended strand (participates in β ladder)trans-117.7123.6169.1-178.60000107.3F269 V274 L279 P280 V281 F315 I397 A409 H410F269-V317 HydrophobicContact CD1-CG2 4.18Å; F269-V317 HydrophobicContact CD2-CG2 3.75Å; F269-V317 HydrophobicContact CE1-CG2 4.08Å; F269-V317 HydrophobicContact CE2-CG2 3.66Å; F269-V317 HydrophobicContact CG-CG2 4.03Å; F269-V317 HydrophobicContact CZ-CG2 3.83Å; V274-V317 HydrophobicContact CG2-CG1 4.08Å; L279-V317 HydrophobicContact CD2-CG1 4.4Å; L279-V317 WeakPolarHBondContact CD2-O 3.35Å; P280-V317 CarbonylContact C-O 3.43Å; P280-V317 WeakPolarHBondContact CA-O 3.39Å; V281-V317 HydrophobicContact CB-CB 4.35Å; V281-V317 PolarHBondContact N-O 3.07Å; V281-V317 PolarHBondContact O-N 3.47Å; F315-V317 HydrophobicContact CD1-CG2 4.28Å; F315-V317 HydrophobicContact CE1-CG2 3.74Å; V317-I397 HydrophobicContact CG1-CG2 4.21Å; V317-A409 HydrophobicContact CG1-CB 3.45Å; V317-A409 VanDerWaalsContact CG1-CB 3.45Å; V317-H410 WeakPolarHBondContact CA-O 3.36Å
318T98.8Very high98.1Very high4 Ų432.5 Ų32.53%0.02518%0.178CC..EExtended strand (participates in β ladder)trans-138.8165.1-175.4-166.50000112.3E325 L329 H410T318-E325 HydrophobicContact CG2-CB 4.3Å; T318-L329 HydrophobicContact CG2-CD2 4.07Å; T318-H410 HydrophobicContact CG2-CB 3.96Å; T318-H410 PolarHBondContact N-O 3.32Å; T318-H410 PolarHBondContact O-N 3.45Å
319A98Very high98.1Very high4 Ų429.9 Ų29.93%0.03317%0.166CC..  trans-68.6170.317500000112.6W276 L279 E321 E325W276-A319 HydrophobicContact CE3-CB 4.27Å; W276-A319 HydrophobicContact CH2-CB 3.37Å; W276-A319 HydrophobicContact CZ3-CB 3.22Å; L279-A319 HydrophobicContact CD1-CB 3.83Å; A319-E321 HydrophobicContact CB-CG 4.42Å; A319-E325 HydrophobicContact CB-CG 4.35Å; A319-E325 WeakPolarHBondContact O-CB 3.29Å
320N95.8Very high98.1Very high63 Ų6329.3 Ų29.334%0.33716%0.164SC..  trans-137.953.8166.3-173.343.3000111.1G323 H410N320-G323 WeakPolarHBondContact OD1-CA 3.05Å; N320-H410 VanDerWaalsContact CG-NE2 3.27Å; N320-H410 PolarHBondContact ND2-CE1 3.4Å; N320-H410 PolarHBondContact ND2-NE2 3.34Å; N320-H410 VanDerWaalsContact ND2-NE2 3.2Å; N320-H410 PolarHBondContact OD1-CE1 3.4Å; N320-H410 VanDerWaalsContact OD1-CE1 3.25Å
321E95.9Very high98.1Very high68 Ų6832.5 Ų32.532%0.31818%0.178SC..SBendtrans-83.7-39.9-179.9-60.7-59.6147.100112.2W276 A319 E325 Y399 R401W276-E321 HydrophobicContact CH2-CB 4.14Å; W276-E321 HydrophobicContact CH2-CG 3Å; W276-E321 HydrophobicContact CZ2-CG 3.9Å; W276-E321 HydrophobicContact CZ3-CG 3.37Å; W276-E321 WeakPolarHBondContact CZ3-OE1 3.26Å; A319-E321 HydrophobicContact CB-CG 4.42Å; E321-E325 WeakPolarHBondContact CA-OE1 3.31Å; E321-E325 WeakPolarHBondContact CB-OE1 3.46Å; E321-E325 PolarHBondContact N-OE1 3.11Å; E321-Y399 WeakPolarHBondContact OE1-CE2 3.41Å; E321-Y399 PolarHBondContact OE1-OH 3.31Å; E321-R401 VanDerWaalsContact CD-NH1 3.28Å; E321-R401 IonicContact OE1-CZ 2.71Å; E321-R401 IonicContact OE1-NE 2.69Å; E321-R401 PolarHBondContact OE1-NE 3.41Å; E321-R401 IonicContact OE1-NH1 2.74Å; E321-R401 PolarHBondContact OE1-NH1 2.97Å; E321-R401 IonicContact OE1-NH2 2.69Å; E321-R401 PolarHBondContact OE1-NH2 3.21Å; E321-R401 IonicContact OE2-CZ 2.61Å; E321-R401 IonicContact OE2-NH1 2.91Å; E321-R401 PolarHBondContact OE2-NH1 3.43Å; E321-R401 IonicContact OE2-NH2 3.03Å; E321-R401 PolarHBondContact OE2-NH2 2.73Å
322T96.4Very high98.1Very high94 Ų9435 Ų3558%0.57719%0.19SC*.SBendtrans-99.5-12.3-176.872.10000113Q324 E325T322-Q324 VanDerWaalsContact C-N 3.31Å; T322-Q324 PolarHBondContact OG1-N 3.4Å; T322-E325 PolarHBondContact N-OE1 3.47Å; T322-E325 PolarHBondContact N-OE2 3.33Å; T322-E325 VanDerWaalsContact N-OE2 3.16Å; T322-E325 PolarHBondContact OG1-OE1 2.97Å; T322-E325 PolarHBondContact OG1-OE2 3.49Å
323G94.6Very high98.1Very high45 Ų4535 Ų3546%0.46419%0.19SC..SBendtrans81.56.7-172.200000114.1N320 E325N320-G323 WeakPolarHBondContact OD1-CA 3.05Å; G323-E325 PolarHBondContact N-OE2 3.24Å
324Q97.6Very high98.1Very high111 Ų11135.3 Ų35.352%0.51919%0.192SC..  trans-118.8-22.4-172.5-59.7-171.5-4.300113.9T322 S326 S327 Q328T322-Q324 VanDerWaalsContact C-N 3.31Å; T322-Q324 PolarHBondContact OG1-N 3.4Å; Q324-S326 PolarHBondContact O-N 3.37Å; Q324-S327 WeakPolarHBondContact O-CB 3.25Å; Q324-S327 PolarHBondContact O-N 3.45Å; Q324-Q328 WeakPolarHBondContact O-CG 3.45Å; Q324-Q328 PolarHBondContact O-N 3.42Å
325E98.6Very high98.1Very high29 Ų2938.5 Ų38.514%0.13621%0.214CC..Hα-helixtrans-59-45.2-167.8-64.391.9140.200112.2T318 A319 E321 T322 G323 Q328 L329T318-E325 HydrophobicContact CG2-CB 4.3Å; A319-E325 HydrophobicContact CB-CG 4.35Å; A319-E325 WeakPolarHBondContact O-CB 3.29Å; E321-E325 WeakPolarHBondContact CA-OE1 3.31Å; E321-E325 WeakPolarHBondContact CB-OE1 3.46Å; E321-E325 PolarHBondContact N-OE1 3.11Å; T322-E325 PolarHBondContact N-OE1 3.47Å; T322-E325 PolarHBondContact N-OE2 3.33Å; T322-E325 VanDerWaalsContact N-OE2 3.16Å; T322-E325 PolarHBondContact OG1-OE1 2.97Å; T322-E325 PolarHBondContact OG1-OE2 3.49Å; G323-E325 PolarHBondContact N-OE2 3.24Å; E325-Q328 PolarHBondContact O-N 3.49Å; E325-L329 WeakPolarHBondContact O-CB 3.37Å; E325-L329 PolarHBondContact O-N 3.42Å
326S98.8Very high98.1Very high3 Ų338.8 Ų38.82%0.02122%0.216CC..Hα-helixtrans-67.6-34.1176.763.20000113.9Q324 L330 N386 H410Q324-S326 PolarHBondContact O-N 3.37Å; S326-L330 PolarHBondContact O-N 3.01Å; S326-N386 WeakPolarHBondContact CB-ND2 3.33Å; S326-N386 PolarHBondContact OG-ND2 3.3Å; S326-H410 WeakPolarHBondContact CB-ND1 3.36Å; S326-H410 PolarHBondContact OG-ND1 3.01Å
327S98.8Very high98.1Very high38 Ų3838.8 Ų38.827%0.26622%0.216SC..Hα-helixtrans-70.4-42.3174.9-60.30000111Q324 L329 L330 E331Q324-S327 WeakPolarHBondContact O-CB 3.25Å; Q324-S327 PolarHBondContact O-N 3.45Å; S327-L329 VanDerWaalsContact C-N 3.31Å; S327-L329 PolarHBondContact O-N 2.67Å; S327-L330 WeakPolarHBondContact O-CB 3.22Å; S327-L330 PolarHBondContact O-N 3.25Å; S327-E331 WeakPolarHBondContact O-CG 3.47Å; S327-E331 PolarHBondContact O-N 2.65Å
328Q98.8Very high98.1Very high112 Ų11241 Ų4152%0.52323%0.225SC..Hα-helixtrans-61.8-40174.8-69.3171.92.200111.7Q324 E325 E331 E332Q324-Q328 WeakPolarHBondContact O-CG 3.45Å; Q324-Q328 PolarHBondContact O-N 3.42Å; E325-Q328 PolarHBondContact O-N 3.49Å; Q328-E331 PolarHBondContact O-N 3.32Å; Q328-E332 PolarHBondContact O-N 2.88Å
329L98.9Very high98.1Very high4 Ų444.4 Ų44.42%0.02124%0.241CC..Hα-helixtrans-67-37.6176.1-171.960.5000112.4P280 R282 T318 E325 S327 E332 Y333 V412P280-L329 HydrophobicContact CB-CD1 4.42Å; P280-L329 HydrophobicContact CB-CD2 4.15Å; R282-L329 HydrophobicContact CG-CD1 4.45Å; T318-L329 HydrophobicContact CG2-CD2 4.07Å; E325-L329 WeakPolarHBondContact O-CB 3.37Å; E325-L329 PolarHBondContact O-N 3.42Å; S327-L329 VanDerWaalsContact C-N 3.31Å; S327-L329 PolarHBondContact O-N 2.67Å; L329-E332 WeakPolarHBondContact O-CB 3.23Å; L329-E332 PolarHBondContact O-N 2.52Å; L329-Y333 HydrophobicContact CD1-CD1 4.08Å; L329-Y333 HydrophobicContact CD1-CE1 3.5Å; L329-Y333 HydrophobicContact CG-CD1 4.45Å; L329-Y333 HydrophobicContact CG-CE1 4.04Å; L329-Y333 WeakPolarHBondContact O-CD1 3.29Å; L329-Y333 PolarHBondContact O-N 3.48Å; L329-V412 HydrophobicContact CB-CG2 4.29Å; L329-V412 HydrophobicContact CD2-CB 4.14Å; L329-V412 HydrophobicContact CD2-CG2 4.08Å; L329-V412 HydrophobicContact CG-CB 4.32Å; L329-V412 HydrophobicContact CG-CG2 4.33Å
330L98.9Very high98.1Very high3 Ų344.3 Ų44.32%0.01624%0.24CC..Hα-helixtrans-60.7-48.4172.5175.963.1000111.3S326 S327 E332 Y333 V334 R364 Y366 A384 N386 V412S326-L330 PolarHBondContact O-N 3.01Å; S327-L330 WeakPolarHBondContact O-CB 3.22Å; S327-L330 PolarHBondContact O-N 3.25Å; L330-E332 VanDerWaalsContact C-N 3.31Å; L330-E332 PolarHBondContact O-N 3.22Å; L330-Y333 PolarHBondContact O-N 3.45Å; L330-Y333 VanDerWaalsContact O-N 3.14Å; L330-V334 HydrophobicContact CD1-CG2 4.31Å; L330-V334 WeakPolarHBondContact O-CG2 3.1Å; L330-V334 PolarHBondContact O-N 3.13Å; L330-R364 HydrophobicContact CD2-CB 4.02Å; L330-R364 HydrophobicContact CD2-CG 4.04Å; L330-Y366 HydrophobicContact CD1-CD2 4.3Å; L330-Y366 HydrophobicContact CD2-CD2 3.83Å; L330-Y366 HydrophobicContact CD2-CE2 3.72Å; L330-Y366 HydrophobicContact CG-CD2 4.02Å; L330-Y366 HydrophobicContact CG-CE2 4.12Å; L330-A384 HydrophobicContact CD1-CB 3.71Å; L330-N386 HydrophobicContact CB-CB 4.27Å; L330-N386 HydrophobicContact CD2-CB 3.84Å; L330-V412 HydrophobicContact CB-CG1 4.17Å; L330-V412 HydrophobicContact CD1-CG1 4.27Å
331E98.8Very high98.3Very high94 Ų9441.4 Ų41.444%0.43922%0.224SC..Hα-helixtrans-62.7-37.5178.2-65-58.8149.100111.9S327 Q328 S335 Y366S327-E331 WeakPolarHBondContact O-CG 3.47Å; S327-E331 PolarHBondContact O-N 2.65Å; Q328-E331 PolarHBondContact O-N 3.32Å; E331-S335 WeakPolarHBondContact O-CB 3.26Å; E331-S335 PolarHBondContact O-N 2.83Å; E331-Y366 VanDerWaalsContact OE1-CE2 3.28Å; E331-Y366 WeakPolarHBondContact OE1-CE2 3.16Å; E331-Y366 PolarHBondContact OE1-OH 2.99Å
332E98.9Very high98.4Very high59 Ų5940.7 Ų40.728%0.27623%0.227SC..Hα-helixtrans-58.4-48.1171.4-173.8-168.2137.200111.2R282 Q328 L329 L330 S335 L336R282-E332 WeakPolarHBondContact CD-OE1 3.44Å; R282-E332 IonicContact CZ-OE1 3.95Å; R282-E332 IonicContact CZ-OE2 2.68Å; R282-E332 IonicContact NE-OE1 3.93Å; R282-E332 PolarHBondContact NE-OE1 3.03Å; R282-E332 IonicContact NE-OE2 2.68Å; R282-E332 PolarHBondContact NE-OE2 3.28Å; R282-E332 IonicContact NH2-OE1 2.99Å; R282-E332 IonicContact NH2-OE2 3.59Å; R282-E332 PolarHBondContact NH2-OE2 3.38Å; Q328-E332 PolarHBondContact O-N 2.88Å; L329-E332 WeakPolarHBondContact O-CB 3.23Å; L329-E332 PolarHBondContact O-N 2.52Å; L330-E332 VanDerWaalsContact C-N 3.31Å; L330-E332 PolarHBondContact O-N 3.22Å; E332-S335 WeakPolarHBondContact O-CB 3.18Å; E332-S335 PolarHBondContact O-N 2.81Å; E332-L336 HydrophobicContact CG-CD1 4.35Å; E332-L336 WeakPolarHBondContact O-CG 3.38Å; E332-L336 PolarHBondContact O-N 2.79Å
333Y98.9Very high98.5Very high0 Ų038 Ų380%021%0.214CC..Hα-helixtrans-65.9-41.3-178.3-77.715.6000112F216 M314 F315 G316 L329 L330 S335 L336 Q337 V412 A414F216-Y333 AromaticContact CE1-CE1 3.68Å; F216-Y333 HydrophobicContact CE1-CE1 3.68Å; F216-Y333 AromaticContact CE1-CZ 3.71Å; F216-Y333 HydrophobicContact CE2-CE1 4.42Å; F216-Y333 AromaticContact CZ-CD1 3.91Å; F216-Y333 HydrophobicContact CZ-CD1 3.91Å; F216-Y333 AromaticContact CZ-CE1 3.3Å; F216-Y333 HydrophobicContact CZ-CE1 3.3Å; F216-Y333 AromaticContact CZ-CZ 3.85Å; M314-Y333 HydrophobicContact CB-CD2 3.86Å; M314-Y333 HydrophobicContact CB-CE2 3.67Å; M314-Y333 HydrophobicContact CB-CG 4.43Å; M314-Y333 HydrophobicContact CE-CG 4.37Å; M314-Y333 HydrophobicContact SD-CD1 4.34Å; M314-Y333 HydrophobicContact SD-CG 4.25Å; F315-Y333 VanDerWaalsContact C-OH 3.28Å; F315-Y333 PolarHBondContact O-OH 2.85Å; G316-Y333 VanDerWaalsContact CA-OH 3.24Å; G316-Y333 WeakPolarHBondContact CA-OH 3.31Å; G316-Y333 PolarHBondContact N-OH 3.14Å; L329-Y333 HydrophobicContact CD1-CD1 4.08Å; L329-Y333 HydrophobicContact CD1-CE1 3.5Å; L329-Y333 HydrophobicContact CG-CD1 4.45Å; L329-Y333 HydrophobicContact CG-CE1 4.04Å; L329-Y333 WeakPolarHBondContact O-CD1 3.29Å; L329-Y333 PolarHBondContact O-N 3.48Å; L330-Y333 PolarHBondContact O-N 3.45Å; L330-Y333 VanDerWaalsContact O-N 3.14Å; Y333-S335 VanDerWaalsContact C-N 3.32Å; Y333-S335 PolarHBondContact O-N 3.41Å; Y333-L336 HydrophobicContact CD1-CD1 4.43Å; Y333-L336 PolarHBondContact O-N 3Å; Y333-Q337 WeakPolarHBondContact O-CG 3.37Å; Y333-Q337 PolarHBondContact O-N 3.09Å; Y333-V412 HydrophobicContact CD2-CG1 3.83Å; Y333-V412 HydrophobicContact CE2-CG1 4.14Å; Y333-A414 HydrophobicContact CD2-CB 3.65Å; Y333-A414 HydrophobicContact CG-CB 4.16Å
334V98.9Very high98.7Very high9 Ų936 Ų366%0.05519%0.193CC..Hα-helixtrans-62.4-41.4174.2173.80000110.7L330 L336 Q337 K338 V350 Y366 A384L330-V334 HydrophobicContact CD1-CG2 4.31Å; L330-V334 WeakPolarHBondContact O-CG2 3.1Å; L330-V334 PolarHBondContact O-N 3.13Å; V334-L336 VanDerWaalsContact C-N 3.34Å; V334-L336 PolarHBondContact O-N 2.76Å; V334-Q337 WeakPolarHBondContact O-CB 3.41Å; V334-Q337 PolarHBondContact O-N 3.14Å; V334-K338 HydrophobicContact CG1-CD 4.23Å; V334-K338 VanDerWaalsContact O-CG 3.31Å; V334-K338 WeakPolarHBondContact O-CG 3.4Å; V334-K338 PolarHBondContact O-N 2.88Å; V334-V350 HydrophobicContact CG1-CG1 4.22Å; V334-Y366 HydrophobicContact CG2-CD2 3.75Å; V334-Y366 HydrophobicContact CG2-CG 4.14Å; V334-A384 HydrophobicContact CG2-CB 3.82Å
335S98.8Very high98.8Very high67 Ų6734.7 Ų34.747%0.46919%0.187SC..Hα-helixtrans-60.3-41.8175-172.70000112.5E331 E332 Y333 K338 E339E331-S335 WeakPolarHBondContact O-CB 3.26Å; E331-S335 PolarHBondContact O-N 2.83Å; E332-S335 WeakPolarHBondContact O-CB 3.18Å; E332-S335 PolarHBondContact O-N 2.81Å; Y333-S335 VanDerWaalsContact C-N 3.32Å; Y333-S335 PolarHBondContact O-N 3.41Å; S335-K338 WeakPolarHBondContact O-CB 3.46Å; S335-K338 PolarHBondContact O-N 2.86Å; S335-E339 PolarHBondContact O-N 3.36Å
336L98.9Very high98.8Very high7 Ų733.6 Ų33.64%0.03718%0.182CC..Hα-helixtrans-65.4-40.4176.5-69.9167.8000112.3L211 R214 F216 M314 E332 Y333 V334 K338 E339 M340L211-L336 HydrophobicContact CD2-CB 4.42Å; L211-L336 HydrophobicContact CD2-CD1 3.94Å; R214-L336 HydrophobicContact CG-CD2 3.8Å; F216-L336 HydrophobicContact CE2-CD1 3.65Å; F216-L336 HydrophobicContact CZ-CD1 3.74Å; M314-L336 HydrophobicContact CE-CB 4.47Å; M314-L336 HydrophobicContact SD-CB 4.26Å; M314-L336 HydrophobicContact SD-CD1 4.04Å; E332-L336 HydrophobicContact CG-CD1 4.35Å; E332-L336 WeakPolarHBondContact O-CG 3.38Å; E332-L336 PolarHBondContact O-N 2.79Å; Y333-L336 HydrophobicContact CD1-CD1 4.43Å; Y333-L336 PolarHBondContact O-N 3Å; V334-L336 VanDerWaalsContact C-N 3.34Å; V334-L336 PolarHBondContact O-N 2.76Å; L336-K338 VanDerWaalsContact C-N 3.35Å; L336-E339 PolarHBondContact O-N 3.06Å; L336-M340 WeakPolarHBondContact O-CE 3.25Å; L336-M340 WeakPolarHBondContact O-CG 3.42Å; L336-M340 PolarHBondContact O-N 2.94Å
337Q98.9Very high98.8Very high0 Ų034.1 Ų34.10%018%0.184CC..Hα-helixtrans-58.7-48173.2-68.8171.5-32.900111M314 Y333 V334 E339 M340 F341 I368 S382 S383 T415M314-Q337 HydrophobicContact CE-CG 3.79Å; Y333-Q337 WeakPolarHBondContact O-CG 3.37Å; Y333-Q337 PolarHBondContact O-N 3.09Å; V334-Q337 WeakPolarHBondContact O-CB 3.41Å; V334-Q337 PolarHBondContact O-N 3.14Å; Q337-E339 PolarHBondContact O-N 2.75Å; Q337-M340 PolarHBondContact O-N 3.11Å; Q337-F341 HydrophobicContact CB-CD2 4.39Å; Q337-F341 HydrophobicContact CB-CE2 3.83Å; Q337-F341 HydrophobicContact CB-CZ 4.27Å; Q337-F341 WeakPolarHBondContact O-CD2 3.47Å; Q337-F341 WeakPolarHBondContact O-CG 3.45Å; Q337-F341 PolarHBondContact O-N 3.23Å; Q337-I368 HydrophobicContact CB-CD1 3.6Å; Q337-S382 PolarHBondContact NE2-OG 3.42Å; Q337-S383 PolarHBondContact NE2-O 2.9Å; Q337-S383 VanDerWaalsContact NE2-O 3.12Å; Q337-T415 WeakPolarHBondContact CG-O 3.26Å; Q337-T415 PolarHBondContact NE2-O 2.69Å
338K98.8Very high98.8Very high47 Ų4732.4 Ų32.420%0.20417%0.171CC..Hα-helixtrans-59-44.8176.7-69.1170.155.8-179.30112.4E151 V334 S335 L336 M340 F341 S342 Y348 V350 I368E151-K338 WeakPolarHBondContact OE1-CE 3.27Å; E151-K338 IonicContact OE1-NZ 2.76Å; E151-K338 PolarHBondContact OE1-NZ 3.49Å; E151-K338 VanDerWaalsContact OE2-CE 3.26Å; E151-K338 WeakPolarHBondContact OE2-CE 3.38Å; E151-K338 IonicContact OE2-NZ 2.99Å; E151-K338 PolarHBondContact OE2-NZ 3.4Å; V334-K338 HydrophobicContact CG1-CD 4.23Å; V334-K338 VanDerWaalsContact O-CG 3.31Å; V334-K338 WeakPolarHBondContact O-CG 3.4Å; V334-K338 PolarHBondContact O-N 2.88Å; S335-K338 WeakPolarHBondContact O-CB 3.46Å; S335-K338 PolarHBondContact O-N 2.86Å; L336-K338 VanDerWaalsContact C-N 3.35Å; K338-M340 PolarHBondContact O-N 2.6Å; K338-F341 PolarHBondContact O-N 2.81Å; K338-S342 VanDerWaalsContact O-CB 3.24Å; K338-S342 WeakPolarHBondContact O-CB 3.49Å; K338-S342 PolarHBondContact O-N 2.83Å; K338-S342 PolarHBondContact O-OG 2.83Å; K338-Y348 WeakPolarHBondContact CA-OH 3.4Å; K338-Y348 HydrophobicContact CB-CE2 4.41Å; K338-Y348 WeakPolarHBondContact CB-OH 3.2Å; K338-Y348 HydrophobicContact CG-CE2 3.99Å; K338-Y348 PolarHBondContact O-OH 2.91Å; K338-Y348 VanDerWaalsContact O-OH 3.05Å; K338-V350 HydrophobicContact CD-CG2 4.19Å; K338-V350 HydrophobicContact CG-CG2 4.21Å; K338-I368 HydrophobicContact CG-CD1 4.07Å
339E98.6Very high98.8Very high75 Ų7530.6 Ų30.635%0.3516%0.16SC..Hα-helixtrans-56.1-50.6176.2-179.3-178.5165.400110.8R214 S335 L336 Q337 S342 A343R214-E339 IonicContact CZ-OE2 3.97Å; R214-E339 IonicContact NE-OE2 2.78Å; R214-E339 IonicContact NH2-OE1 3.54Å; R214-E339 PolarHBondContact NH2-OE1 2.89Å; R214-E339 IonicContact NH2-OE2 2.89Å; R214-E339 PolarHBondContact NH2-OE2 2.69Å; S335-E339 PolarHBondContact O-N 3.36Å; L336-E339 PolarHBondContact O-N 3.06Å; Q337-E339 PolarHBondContact O-N 2.75Å; E339-S342 PolarHBondContact O-N 2.96Å; E339-A343 WeakPolarHBondContact O-CB 3.11Å; E339-A343 PolarHBondContact O-N 3.48Å
340M98.7Very high98.8Very high2 Ų230.6 Ų30.61%0.0116%0.16CC..Hα-helixtrans-62.3-46.1179.5-73.3-176-70.300112.2F206 A207 T210 L336 Q337 K338 A343 L344 A416F206-M340 HydrophobicContact CE1-CB 4Å; F206-M340 HydrophobicContact CE1-CG 4.07Å; F206-M340 HydrophobicContact CZ-CB 4.41Å; F206-M340 HydrophobicContact CZ-CG 4.32Å; A207-M340 HydrophobicContact CB-SD 4.01Å; T210-M340 HydrophobicContact CG2-CG 4.01Å; T210-M340 HydrophobicContact CG2-SD 4.47Å; L336-M340 WeakPolarHBondContact O-CE 3.25Å; L336-M340 WeakPolarHBondContact O-CG 3.42Å; L336-M340 PolarHBondContact O-N 2.94Å; Q337-M340 PolarHBondContact O-N 3.11Å; K338-M340 PolarHBondContact O-N 2.6Å; M340-A343 PolarHBondContact O-N 2.54Å; M340-L344 VanDerWaalsContact O-CG 3.31Å; M340-L344 WeakPolarHBondContact O-CG 3.28Å; M340-L344 PolarHBondContact O-N 2.85Å; M340-L344 VanDerWaalsContact O-N 3.11Å; M340-A416 HydrophobicContact CE-CB 3.69Å; M340-A416 HydrophobicContact SD-CB 4.32Å
341F98.7Very high98.8Very high2 Ų230.8 Ų30.81%0.00916%0.161CC..Hα-helixtrans-71.3-34-178.1-56.4-29.3000113Q337 K338 L344 E345 L346 Y348 I368 V381 S382 M422Q337-F341 HydrophobicContact CB-CD2 4.39Å; Q337-F341 HydrophobicContact CB-CE2 3.83Å; Q337-F341 HydrophobicContact CB-CZ 4.27Å; Q337-F341 WeakPolarHBondContact O-CD2 3.47Å; Q337-F341 WeakPolarHBondContact O-CG 3.45Å; Q337-F341 PolarHBondContact O-N 3.23Å; K338-F341 PolarHBondContact O-N 2.81Å; F341-L344 PolarHBondContact O-N 3.12Å; F341-E345 PolarHBondContact O-N 3.06Å; F341-L346 PolarHBondContact O-N 2.67Å; F341-L346 VanDerWaalsContact O-N 3.17Å; F341-Y348 HydrophobicContact CB-CD1 3.88Å; F341-Y348 HydrophobicContact CB-CE1 3.75Å; F341-I368 HydrophobicContact CD2-CB 4.36Å; F341-I368 HydrophobicContact CD2-CD1 4.11Å; F341-I368 HydrophobicContact CD2-CG2 3.77Å; F341-I368 HydrophobicContact CE2-CB 4Å; F341-I368 HydrophobicContact CE2-CD1 3.9Å; F341-I368 HydrophobicContact CE2-CG2 3.91Å; F341-V381 HydrophobicContact CD2-CG2 4.3Å; F341-V381 HydrophobicContact CE1-CG2 4.46Å; F341-V381 HydrophobicContact CE2-CG2 3.88Å; F341-V381 HydrophobicContact CZ-CG2 3.98Å; F341-S382 VanDerWaalsContact CE2-OG 3.27Å; F341-S382 WeakPolarHBondContact CE2-OG 3.36Å; F341-M422 HydrophobicContact CD1-CE 3.76Å; F341-M422 HydrophobicContact CD1-SD 4.19Å; F341-M422 HydrophobicContact CE1-CE 3.96Å; F341-M422 HydrophobicContact CE1-SD 3.89Å
342S98.7Very high98.8Very high53 Ų5326.3 Ų26.337%0.37114%0.14SC..Hα-helixtrans-65.1-40.9171.2-66.30000111.7K338 E339 L344 E345 Y348K338-S342 VanDerWaalsContact O-CB 3.24Å; K338-S342 WeakPolarHBondContact O-CB 3.49Å; K338-S342 PolarHBondContact O-N 2.83Å; K338-S342 PolarHBondContact O-OG 2.83Å; E339-S342 PolarHBondContact O-N 2.96Å; S342-L344 PolarHBondContact O-N 3.26Å; S342-E345 WeakPolarHBondContact O-CA 3.26Å; S342-E345 PolarHBondContact O-N 2.68Å; S342-Y348 PolarHBondContact OG-OH 3.4Å
343A98.6Very high98.8Very high38 Ų3823.7 Ų23.731%0.31413%0.128SC..Hα-helixtrans-65.3-25.4175.900000113.1F206 E339 M340 A442F206-A343 HydrophobicContact CZ-CB 3.94Å; E339-A343 WeakPolarHBondContact O-CB 3.11Å; E339-A343 PolarHBondContact O-N 3.48Å; M340-A343 PolarHBondContact O-N 2.54Å; A343-A442 HydrophobicContact CB-CB 4.06Å; A343-A442 WeakPolarHBondContact O-CB 3.48Å
344L98.7Very high98.8Very high3 Ų323.7 Ų23.72%0.01613%0.128CC..THydrogen-bonded Turntrans-83.83.9171.1-64.5176.1000113.5L203 F206 M340 F341 S342 L346 M422 I426 H430 P440 L443L203-L344 HydrophobicContact CD2-CD1 4.02Å; L203-L344 HydrophobicContact CD2-CD2 4.44Å; F206-L344 HydrophobicContact CD1-CD2 4.39Å; F206-L344 HydrophobicContact CE1-CD1 4.26Å; F206-L344 HydrophobicContact CE1-CD2 4.17Å; F206-L344 HydrophobicContact CE1-CG 4.06Å; M340-L344 VanDerWaalsContact O-CG 3.31Å; M340-L344 WeakPolarHBondContact O-CG 3.28Å; M340-L344 PolarHBondContact O-N 2.85Å; M340-L344 VanDerWaalsContact O-N 3.11Å; F341-L344 PolarHBondContact O-N 3.12Å; S342-L344 PolarHBondContact O-N 3.26Å; L344-L346 VanDerWaalsContact C-N 3.27Å; L344-L346 HydrophobicContact CB-CD1 4.28Å; L344-L346 HydrophobicContact CB-CG 3.99Å; L344-L346 PolarHBondContact O-N 2.73Å; L344-M422 HydrophobicContact CD1-CE 3.24Å; L344-I426 HydrophobicContact CD2-CD1 4.5Å; L344-H430 PolarHBondContact O-NE2 3.09Å; L344-H430 VanDerWaalsContact O-NE2 3.1Å; L344-P440 HydrophobicContact CD2-CB 4.4Å; L344-L443 HydrophobicContact CD2-CD1 3.49Å; L344-L443 VanDerWaalsContact CD2-CD1 3.49Å; L344-L443 HydrophobicContact CD2-CD2 3.98Å; L344-L443 HydrophobicContact CD2-CG 3.43Å; L344-L443 VanDerWaalsContact CD2-CG 3.43Å
345E98.5Very high98.8Very high83 Ų8323.4 Ų23.439%0.38813%0.126SC..THydrogen-bonded Turntrans59.837.4176.2-51.6171-139.300112.2F341 S342 R438 Q441F341-E345 PolarHBondContact O-N 3.06Å; S342-E345 WeakPolarHBondContact O-CA 3.26Å; S342-E345 PolarHBondContact O-N 2.68Å; E345-R438 IonicContact OE1-CZ 2.96Å; E345-R438 IonicContact OE1-NH1 2.62Å; E345-R438 PolarHBondContact OE1-NH1 2.94Å; E345-R438 IonicContact OE1-NH2 3.25Å; E345-R438 PolarHBondContact OE1-NH2 2.79Å; E345-R438 IonicContact OE2-CZ 2.82Å; E345-R438 VanDerWaalsContact OE2-CZ 3.25Å; E345-R438 IonicContact OE2-NH1 3.59Å; E345-R438 PolarHBondContact OE2-NH1 3.12Å; E345-R438 IonicContact OE2-NH2 3.63Å; E345-R438 PolarHBondContact OE2-NH2 2.94Å; E345-Q441 PolarHBondContact OE1-N 3.31Å
346L98.7Very high98.7Very high6 Ų622.7 Ų22.73%0.03112%0.115CC..  trans-90.5147.9179.6-58.6-176.8000111.7F341 L344 Y348 A370 M422F341-L346 PolarHBondContact O-N 2.67Å; F341-L346 VanDerWaalsContact O-N 3.17Å; L344-L346 VanDerWaalsContact C-N 3.27Å; L344-L346 HydrophobicContact CB-CD1 4.28Å; L344-L346 HydrophobicContact CB-CG 3.99Å; L344-L346 PolarHBondContact O-N 2.73Å; L346-Y348 HydrophobicContact CB-CD1 4.39Å; L346-Y348 WeakPolarHBondContact O-CD1 3.41Å; L346-A370 HydrophobicContact CD1-CB 4.41Å; L346-M422 HydrophobicContact CD1-CE 3.58Å; L346-M422 HydrophobicContact CD1-SD 4.45Å
347H98.8Very high98.7Very high15 Ų1525.9 Ų25.97%0.06913%0.13CC..  trans-93.1124.1164.8179.747.4000109.3V153 G154 R155 K156 W371 Y378V153-H347 WeakPolarHBondContact O-CA 3.47Å; V153-H347 PolarHBondContact O-ND1 3.45Å; G154-H347 VanDerWaalsContact C-ND1 3.34Å; G154-H347 PolarHBondContact O-ND1 2.71Å; R155-H347 WeakPolarHBondContact O-CB 3.36Å; K156-H347 WeakPolarHBondContact CG-CD2 3.49Å; K156-H347 PolarHBondContact N-CD2 2.9Å; H347-W371 HydrophobicContact CB-CB 4.23Å; H347-W371 PolarHBondContact O-N 3.5Å; H347-Y378 PolarHBondContact CD2-OH 2.92Å; H347-Y378 PolarHBondContact NE2-OH 3.4Å
348Y98.8Very high98.7Very high1 Ų126.1 Ų26.10%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-146.7162.8-174.662-93.6000112.1V153 K338 F341 S342 L346 V350 I368 E369V153-Y348 HydrophobicContact CB-CD1 4.35Å; V153-Y348 HydrophobicContact CB-CD2 4.17Å; V153-Y348 HydrophobicContact CB-CE1 3.86Å; V153-Y348 HydrophobicContact CB-CE2 3.65Å; V153-Y348 HydrophobicContact CB-CG 4.5Å; V153-Y348 VanDerWaalsContact CB-CZ 3.49Å; V153-Y348 HydrophobicContact CG1-CE1 3.88Å; V153-Y348 HydrophobicContact CG1-CE2 4.34Å; V153-Y348 HydrophobicContact CG2-CD2 4.33Å; V153-Y348 HydrophobicContact CG2-CE2 3.57Å; V153-Y348 PolarHBondContact N-O 3.25Å; V153-Y348 PolarHBondContact O-N 3.2Å; V153-Y348 VanDerWaalsContact O-N 3.12Å; K338-Y348 WeakPolarHBondContact CA-OH 3.4Å; K338-Y348 HydrophobicContact CB-CE2 4.41Å; K338-Y348 WeakPolarHBondContact CB-OH 3.2Å; K338-Y348 HydrophobicContact CG-CE2 3.99Å; K338-Y348 PolarHBondContact O-OH 2.91Å; K338-Y348 VanDerWaalsContact O-OH 3.05Å; F341-Y348 HydrophobicContact CB-CD1 3.88Å; F341-Y348 HydrophobicContact CB-CE1 3.75Å; S342-Y348 PolarHBondContact OG-OH 3.4Å; L346-Y348 HydrophobicContact CB-CD1 4.39Å; L346-Y348 WeakPolarHBondContact O-CD1 3.41Å; Y348-V350 HydrophobicContact CD2-CG2 4.4Å; Y348-V350 HydrophobicContact CE2-CG2 4.22Å; Y348-I368 HydrophobicContact CD2-CG2 3.5Å; Y348-I368 HydrophobicContact CE2-CG2 4.3Å; Y348-I368 HydrophobicContact CG-CG2 3.9Å; Y348-E369 CarbonylContact C-O 3.59Å; Y348-E369 WeakPolarHBondContact CA-O 3.3Å; Y348-E369 WeakPolarHBondContact CB-O 3.5Å
349R98.8Very high98.6Very high75 Ų7526.1 Ų26.128%0.28314%0.144SC..EExtended strand (participates in β ladder)trans-121.4140.717263-176.5-176.8168.81.8110.1V149 E151 L152 L351 I368 E369 Y378V149-R349 HydrophobicContact CG1-CB 4.33Å; E151-R349 CarbonylContact O-C 3.56Å; E151-R349 VanDerWaalsContact O-CA 3.29Å; E151-R349 WeakPolarHBondContact O-CA 3.43Å; L152-R349 HydrophobicContact CD1-CB 3.98Å; R349-L351 HydrophobicContact CG-CD2 4.09Å; R349-L351 HydrophobicContact CG-CG 4.31Å; R349-I368 WeakPolarHBondContact O-CA 3.5Å; R349-E369 HydrophobicContact CG-CB 4.08Å; R349-E369 IonicContact CZ-OE2 2.94Å; R349-E369 PolarHBondContact N-O 3.29Å; R349-E369 IonicContact NE-OE2 3.43Å; R349-E369 PolarHBondContact NE-OE2 3Å; R349-E369 IonicContact NH2-OE2 2.62Å; R349-E369 PolarHBondContact NH2-OE2 3.49Å; R349-E369 PolarHBondContact O-N 3.23Å; R349-Y378 HydrophobicContact CB-CE1 4.48Å; R349-Y378 HydrophobicContact CG-CD1 3.99Å; R349-Y378 HydrophobicContact CG-CE1 4.16Å; R349-Y378 HydrophobicContact CG-CG 4.33Å
350V98.9Very high98.5Very high3 Ų324.2 Ų24.22%0.01814%0.137CC..EExtended strand (participates in β ladder)trans-94.8129.4170.9-170.90000107.2V150 E151 V334 K338 Y348 I368V150-V350 HydrophobicContact CG2-CB 3.52Å; V150-V350 HydrophobicContact CG2-CG1 3.42Å; V150-V350 VanDerWaalsContact CG2-CG1 3.42Å; V150-V350 WeakPolarHBondContact CG2-O 3.23Å; V150-V350 PolarHBondContact N-O 3.36Å; E151-V350 HydrophobicContact CB-CB 4.18Å; E151-V350 HydrophobicContact CB-CG2 4.05Å; E151-V350 PolarHBondContact O-N 3.2Å; V334-V350 HydrophobicContact CG1-CG1 4.22Å; K338-V350 HydrophobicContact CD-CG2 4.19Å; K338-V350 HydrophobicContact CG-CG2 4.21Å; Y348-V350 HydrophobicContact CD2-CG2 4.4Å; Y348-V350 HydrophobicContact CE2-CG2 4.22Å; V350-I368 HydrophobicContact CB-CG1 4.48Å; V350-I368 HydrophobicContact CG1-CG1 4.24Å; V350-I368 HydrophobicContact CG2-CD1 4.36Å; V350-I368 HydrophobicContact CG2-CG1 4.14Å
351L98.9Very high98.5Very high8 Ų825.2 Ų25.24%0.04214%0.143CC..EExtended strand (participates in β ladder)trans-116132.1-177.9-60.5-177.6000109.5A147 R148 V149 R349 M353 Y366 D367 E369A147-L351 HydrophobicContact CB-CB 4.46Å; A147-L351 HydrophobicContact CB-CD1 4.36Å; R148-L351 CarbonylContact O-C 3.6Å; R148-L351 WeakPolarHBondContact O-CA 3.43Å; V149-L351 HydrophobicContact CB-CD2 4.3Å; V149-L351 HydrophobicContact CG2-CD2 3.66Å; R349-L351 HydrophobicContact CG-CD2 4.09Å; R349-L351 HydrophobicContact CG-CG 4.31Å; L351-M353 HydrophobicContact CB-SD 3.82Å; L351-M353 HydrophobicContact CD1-SD 4.44Å; L351-Y366 CarbonylContact O-C 3.59Å; L351-Y366 WeakPolarHBondContact O-CA 3.16Å; L351-D367 PolarHBondContact N-O 3.1Å; L351-D367 PolarHBondContact O-N 3.4Å; L351-E369 HydrophobicContact CD1-CG 3.77Å; L351-E369 HydrophobicContact CG-CG 4.49Å
352D98.9Very high98.5Very high0 Ų025.2 Ų25.20%014%0.144CC..EExtended strand (participates in β ladder)trans-89.4115.3164.8-179.421.2000108.8R148 V150 R364 Y366R148-D352 HydrophobicContact CB-CB 4.31Å; R148-D352 IonicContact CZ-OD2 2.77Å; R148-D352 PolarHBondContact N-O 3.43Å; R148-D352 IonicContact NE-OD2 3.28Å; R148-D352 IonicContact NH2-OD2 2.97Å; R148-D352 PolarHBondContact NH2-OD2 2.76Å; R148-D352 PolarHBondContact O-N 2.61Å; V150-D352 HydrophobicContact CG1-CB 3.63Å; D352-R364 IonicContact OD1-CZ 3.29Å; D352-R364 IonicContact OD1-NE 3.45Å; D352-R364 PolarHBondContact OD1-NE 2.9Å; D352-R364 IonicContact OD1-NH2 3.67Å; D352-R364 PolarHBondContact OD1-NH2 3.41Å; D352-R364 IonicContact OD2-CZ 3.63Å; D352-R364 IonicContact OD2-NE 3.95Å; D352-R364 IonicContact OD2-NH2 2.77Å; D352-R364 PolarHBondContact OD2-NH2 3.22Å; D352-Y366 HydrophobicContact CB-CD1 4.05Å; D352-Y366 HydrophobicContact CB-CE1 3.92Å
353M98.9Very high98.5Very high4 Ų425.1 Ų25.12%0.0214%0.135CC..  trans-81139.4-165.9-61.4-53.6-69.800111.4A147 L351 E357 K365 D367A147-M353 HydrophobicContact CB-SD 4.22Å; L351-M353 HydrophobicContact CB-SD 3.82Å; L351-M353 HydrophobicContact CD1-SD 4.44Å; M353-E357 HydrophobicContact CB-CB 4.36Å; M353-E357 HydrophobicContact CE-CB 3.96Å; M353-E357 HydrophobicContact CE-CG 4.18Å; M353-K365 HydrophobicContact CB-CB 4.15Å; M353-K365 HydrophobicContact CB-CD 4.44Å; M353-K365 HydrophobicContact CB-CG 4.2Å; M353-K365 HydrophobicContact CG-CB 4.42Å; M353-K365 HydrophobicContact CG-CD 4.37Å; M353-K365 HydrophobicContact CG-CG 3.99Å; M353-K365 PolarHBondContact N-O 2.81Å; M353-D367 WeakPolarHBondContact CE-OD2 3.23Å; M353-D367 HydrophobicContact CG-CB 4.04Å; M353-D367 HydrophobicContact SD-CB 3.69Å
354P98.8Very high98.5Very high0 Ų024 Ų240%012%0.123CC..  trans-80169.8-174.233.8-34.7000112.1P140 G142 D143 Q146 E356 E357P140-P354 HydrophobicContact CB-CB 4.12Å; P140-P354 CarbonylContact O-C 3.41Å; P140-P354 WeakPolarHBondContact O-CA 3.34Å; P140-P354 VanDerWaalsContact O-CB 3.29Å; P140-P354 WeakPolarHBondContact O-CB 3.27Å; G142-P354 WeakPolarHBondContact O-CB 3.06Å; D143-P354 WeakPolarHBondContact O-CG 3.47Å; Q146-P354 HydrophobicContact CB-CB 4.11Å; P354-E356 VanDerWaalsContact C-N 3.29Å; P354-E356 PolarHBondContact O-N 2.66Å; P354-E356 VanDerWaalsContact O-N 3.16Å; P354-E357 HydrophobicContact CG-CB 4.28Å; P354-E357 HydrophobicContact CG-CG 4.01Å; P354-E357 PolarHBondContact O-N 2.92Å
355T98.7Very high98.6Very high3 Ų325.2 Ų25.22%0.01813%0.128CC..G310 helixtrans-53.5-38.1-171.849.90000114.7N37 T135 V139 P140 V141 G142 E357N37-T355 HydrophobicContact CB-CG2 4.29Å; N37-T355 VanDerWaalsContact O-CB 3.26Å; N37-T355 WeakPolarHBondContact O-CB 3.44Å; N37-T355 PolarHBondContact O-OG1 3.16Å; T135-T355 HydrophobicContact CG2-CG2 4.04Å; V139-T355 HydrophobicContact CG1-CG2 3.62Å; P140-T355 PolarHBondContact O-N 3.33Å; V141-T355 HydrophobicContact CG2-CG2 4.36Å; G142-T355 PolarHBondContact N-OG1 2.69Å; G142-T355 VanDerWaalsContact N-OG1 3.11Å; T355-E357 PolarHBondContact O-N 3.38Å
356E98.3Very high98.6Very high51 Ų5122.2 Ų22.224%0.23811%0.114CC..G310 helixtrans-75-14.6-178.7-60175-143.900112.8K39 G142 D143 P354K39-E356 HydrophobicContact CB-CG 4.03Å; K39-E356 VanDerWaalsContact CD-CD 3.49Å; K39-E356 HydrophobicContact CD-CG 4.25Å; K39-E356 WeakPolarHBondContact CD-OE1 3.43Å; K39-E356 WeakPolarHBondContact CD-OE2 3.05Å; K39-E356 WeakPolarHBondContact CE-OE1 3.46Å; K39-E356 HydrophobicContact CG-CG 3.95Å; K39-E356 VanDerWaalsContact NZ-CD 3.25Å; K39-E356 IonicContact NZ-OE1 3.87Å; K39-E356 PolarHBondContact NZ-OE1 2.86Å; K39-E356 IonicContact NZ-OE2 3.3Å; K39-E356 PolarHBondContact NZ-OE2 3.42Å; K39-E356 VanDerWaalsContact NZ-OE2 3.13Å; G142-E356 VanDerWaalsContact C-CD 3.44Å; G142-E356 WeakPolarHBondContact CA-OE1 3.35Å; G142-E356 VanDerWaalsContact O-CB 3.27Å; G142-E356 WeakPolarHBondContact O-CB 3.39Å; G142-E356 VanDerWaalsContact O-CG 3.23Å; G142-E356 WeakPolarHBondContact O-CG 3.38Å; G142-E356 PolarHBondContact O-N 2.97Å; G142-E356 VanDerWaalsContact O-N 3.14Å; D143-E356 PolarHBondContact N-OE1 3.49Å; P354-E356 VanDerWaalsContact C-N 3.29Å; P354-E356 PolarHBondContact O-N 2.66Å; P354-E356 VanDerWaalsContact O-N 3.16Å
357E98.3Very high98.6Very high74 Ų7422.4 Ų22.435%0.34611%0.114SC..G310 helixtrans-1055.5-177.8-63.5-58.7140.300113.6E144 M353 P354 T355 G359E144-E357 HydrophobicContact CB-CG 3.94Å; E144-E357 HydrophobicContact CG-CG 4.41Å; M353-E357 HydrophobicContact CB-CB 4.36Å; M353-E357 HydrophobicContact CE-CB 3.96Å; M353-E357 HydrophobicContact CE-CG 4.18Å; P354-E357 HydrophobicContact CG-CB 4.28Å; P354-E357 HydrophobicContact CG-CG 4.01Å; P354-E357 PolarHBondContact O-N 2.92Å; T355-E357 PolarHBondContact O-N 3.38Å; E357-G359 VanDerWaalsContact C-N 3.32Å
358L98.5Very high98.6Very high6 Ų621.7 Ų21.73%0.03111%0.111CC..SBendtrans-77.3-18.7176.8-64.6-172.7000113.3R38 T135 V139 A362 K365R38-L358 VanDerWaalsContact NH2-CD1 3.32Å; T135-L358 HydrophobicContact CG2-CD1 3.92Å; V139-L358 HydrophobicContact CG1-CD1 4.03Å; V139-L358 HydrophobicContact CG1-CG 4.48Å; V139-L358 HydrophobicContact CG2-CD1 4.22Å; L358-A362 HydrophobicContact CB-CB 4.35Å; L358-A362 VanDerWaalsContact O-CB 3.22Å; L358-A362 WeakPolarHBondContact O-CB 3.39Å; L358-K365 HydrophobicContact CD2-CB 3.66Å
359G96.4Very high98.6Very high46 Ų4622.5 Ų22.547%0.47412%0.115SC..THydrogen-bonded Turntrans62.1-157.2-168.900000112.4R38 E357R38-G359 PolarHBondContact NH1-O 2.94Å; E357-G359 VanDerWaalsContact C-N 3.32Å
360L97.6Very high98.6Very high36 Ų3619 Ų1919%0.18810%0.102CC..THydrogen-bonded Turntrans-78.3-48.9178-66.7175.9000113.7P132 N133P132-L360 WeakPolarHBondContact CA-O 3.49Å; P132-L360 HydrophobicContact CB-CD2 4.05Å; N133-L360 PolarHBondContact N-O 3.16Å
361P98.6Very high98.6Very high23 Ų2320.1 Ų20.115%0.14911%0.106CC..THydrogen-bonded Turntrans-85.9-25.8-166.233.6-37.2000114.5N133 Y363 C387 Y390N133-P361 WeakPolarHBondContact CB-O 3.38Å; N133-P361 PolarHBondContact ND2-O 2.99Å; P361-Y363 PolarHBondContact O-N 3.24Å; P361-C387 HydrophobicContact CB-CB 4.49Å; P361-C387 WeakPolarHBondContact O-CA 3.46Å; P361-Y390 HydrophobicContact CB-CD1 3.51Å; P361-Y390 HydrophobicContact CB-CE1 3.79Å; P361-Y390 HydrophobicContact CB-CG 4.03Å
362A98.8Very high98.6Very high2 Ų219.7 Ų19.72%0.01710%0.104CC..  trans-77130.1-170.100000112.1R38 L358 K365R38-A362 PolarHBondContact NH1-O 2.73Å; R38-A362 PolarHBondContact NH2-O 3.47Å; L358-A362 HydrophobicContact CB-CB 4.35Å; L358-A362 VanDerWaalsContact O-CB 3.22Å; L358-A362 WeakPolarHBondContact O-CB 3.39Å; A362-K365 HydrophobicContact CB-CB 4.32Å
363Y98.9Very high98.5Very high50 Ų5020 Ų2020%0.19611%0.106CC..SBendtrans-83.3-40.3167.4170.5-111.6000111.6N134 H136 P361 N386 T388N134-Y363 HydrophobicContact CB-CD2 4.22Å; N134-Y363 HydrophobicContact CB-CE2 4.47Å; N134-Y363 WeakPolarHBondContact O-CA 3.23Å; N134-Y363 WeakPolarHBondContact O-CD2 3.46Å; H136-Y363 VanDerWaalsContact CA-CZ 3.43Å; H136-Y363 HydrophobicContact CB-CD1 4.04Å; H136-Y363 HydrophobicContact CB-CD2 4.25Å; H136-Y363 HydrophobicContact CB-CE1 3.67Å; H136-Y363 HydrophobicContact CB-CE2 3.85Å; H136-Y363 HydrophobicContact CB-CG 4.31Å; H136-Y363 WeakPolarHBondContact CB-O 3.41Å; H136-Y363 AromaticContact CD2-CE1 3.39Å; H136-Y363 WeakPolarHBondContact CD2-CE1 3.09Å; H136-Y363 AromaticContact CD2-CZ 3.67Å; H136-Y363 PolarHBondContact CD2-OH 3.25Å; H136-Y363 AromaticContact CG-CE1 3.89Å; H136-Y363 AromaticContact CG-CZ 3.86Å; H136-Y363 VanDerWaalsContact N-CE2 3.27Å; H136-Y363 PolarHBondContact N-O 3.45Å; P361-Y363 PolarHBondContact O-N 3.24Å; Y363-N386 WeakPolarHBondContact CB-O 3.42Å; Y363-N386 PolarHBondContact N-O 3.5Å; Y363-T388 HydrophobicContact CD1-CG2 3.79Å; Y363-T388 HydrophobicContact CD2-CG2 4.45Å; Y363-T388 HydrophobicContact CE1-CG2 4.5Å; Y363-T388 HydrophobicContact CG-CG2 3.77Å
364R98.9Very high98.5Very high16 Ų1621.1 Ų21.16%0.0612%0.118CC..EExtended strand (participates in β ladder)trans-142.6141.6172.1-171.262.4172.8-86.24.2109.1H136 V139 L330 D352 Y366 S385 N386H136-R364 HydrophobicContact CB-CB 4.08Å; H136-R364 HydrophobicContact CB-CG 4.49Å; H136-R364 PolarHBondContact CE1-NH1 3.12Å; H136-R364 VanDerWaalsContact CE1-NH1 3.26Å; H136-R364 PolarHBondContact ND1-NH1 2.87Å; H136-R364 VanDerWaalsContact ND1-NH1 3.12Å; V139-R364 VanDerWaalsContact CG2-CD 3.46Å; L330-R364 HydrophobicContact CD2-CB 4.02Å; L330-R364 HydrophobicContact CD2-CG 4.04Å; D352-R364 IonicContact OD1-CZ 3.29Å; D352-R364 IonicContact OD1-NE 3.45Å; D352-R364 PolarHBondContact OD1-NE 2.9Å; D352-R364 IonicContact OD1-NH2 3.67Å; D352-R364 PolarHBondContact OD1-NH2 3.41Å; D352-R364 IonicContact OD2-CZ 3.63Å; D352-R364 IonicContact OD2-NE 3.95Å; D352-R364 IonicContact OD2-NH2 2.77Å; D352-R364 PolarHBondContact OD2-NH2 3.22Å; R364-Y366 HydrophobicContact CG-CE2 4.18Å; R364-S385 WeakPolarHBondContact O-CA 3.45Å; R364-N386 PolarHBondContact O-N 3.01Å
365K98.9Very high98.3Very high28 Ų2825.7 Ų25.712%0.12214%0.135CC..EExtended strand (participates in β ladder)trans-138.3132.8-178.6-178.1173.5-179.2-80.60111.2M353 L358 A362 D367 A384M353-K365 HydrophobicContact CB-CB 4.15Å; M353-K365 HydrophobicContact CB-CD 4.44Å; M353-K365 HydrophobicContact CB-CG 4.2Å; M353-K365 HydrophobicContact CG-CB 4.42Å; M353-K365 HydrophobicContact CG-CD 4.37Å; M353-K365 HydrophobicContact CG-CG 3.99Å; M353-K365 PolarHBondContact N-O 2.81Å; L358-K365 HydrophobicContact CD2-CB 3.66Å; A362-K365 HydrophobicContact CB-CB 4.32Å; K365-D367 WeakPolarHBondContact CE-OD1 3.36Å; K365-D367 IonicContact NZ-OD1 3.99Å; K365-D367 PolarHBondContact NZ-OD1 3.24Å; K365-D367 IonicContact NZ-OD2 3.25Å; K365-D367 PolarHBondContact NZ-OD2 3.33Å; K365-A384 CarbonylContact C-O 3.53Å; K365-A384 VanDerWaalsContact CA-O 3.26Å; K365-A384 WeakPolarHBondContact CA-O 3.38Å
366Y98.9Very high98.2Very high20 Ų2031.3 Ų31.38%0.07817%0.165CC..EExtended strand (participates in β ladder)trans-117.8132.3170.1-62.4-75.4000110.3L330 E331 V334 L351 D352 R364 S383 A384L330-Y366 HydrophobicContact CD1-CD2 4.3Å; L330-Y366 HydrophobicContact CD2-CD2 3.83Å; L330-Y366 HydrophobicContact CD2-CE2 3.72Å; L330-Y366 HydrophobicContact CG-CD2 4.02Å; L330-Y366 HydrophobicContact CG-CE2 4.12Å; E331-Y366 VanDerWaalsContact OE1-CE2 3.28Å; E331-Y366 WeakPolarHBondContact OE1-CE2 3.16Å; E331-Y366 PolarHBondContact OE1-OH 2.99Å; V334-Y366 HydrophobicContact CG2-CD2 3.75Å; V334-Y366 HydrophobicContact CG2-CG 4.14Å; L351-Y366 CarbonylContact O-C 3.59Å; L351-Y366 WeakPolarHBondContact O-CA 3.16Å; D352-Y366 HydrophobicContact CB-CD1 4.05Å; D352-Y366 HydrophobicContact CB-CE1 3.92Å; R364-Y366 HydrophobicContact CG-CE2 4.18Å; Y366-S383 CarbonylContact O-C 3.56Å; Y366-S383 WeakPolarHBondContact O-CA 3.35Å; Y366-A384 PolarHBondContact N-O 2.93Å; Y366-A384 PolarHBondContact O-N 3.45Å
367D98.8Very high98.2Very high9 Ų930.6 Ų30.65%0.04817%0.166CC..EExtended strand (participates in β ladder)trans-109.5149.3171-70.30.7000110L351 M353 K365 E380 S382 S383L351-D367 PolarHBondContact N-O 3.1Å; L351-D367 PolarHBondContact O-N 3.4Å; M353-D367 WeakPolarHBondContact CE-OD2 3.23Å; M353-D367 HydrophobicContact CG-CB 4.04Å; M353-D367 HydrophobicContact SD-CB 3.69Å; K365-D367 WeakPolarHBondContact CE-OD1 3.36Å; K365-D367 IonicContact NZ-OD1 3.99Å; K365-D367 PolarHBondContact NZ-OD1 3.24Å; K365-D367 IonicContact NZ-OD2 3.25Å; K365-D367 PolarHBondContact NZ-OD2 3.33Å; D367-E380 HydrophobicContact CB-CG 4.35Å; D367-S382 CarbonylContact C-O 3.56Å; D367-S382 WeakPolarHBondContact CA-O 3.36Å; D367-S383 WeakPolarHBondContact OD1-CA 3.32Å; D367-S383 WeakPolarHBondContact OD1-CB 3.4Å
368I98.9Very high98.2Very high0 Ų029 Ų290%016%0.157CC..EExtended strand (participates in β ladder)trans-117.7125.6170.7-58.8176.5000108.2Q337 K338 F341 Y348 R349 V350 E380 V381 S382Q337-I368 HydrophobicContact CB-CD1 3.6Å; K338-I368 HydrophobicContact CG-CD1 4.07Å; F341-I368 HydrophobicContact CD2-CB 4.36Å; F341-I368 HydrophobicContact CD2-CD1 4.11Å; F341-I368 HydrophobicContact CD2-CG2 3.77Å; F341-I368 HydrophobicContact CE2-CB 4Å; F341-I368 HydrophobicContact CE2-CD1 3.9Å; F341-I368 HydrophobicContact CE2-CG2 3.91Å; Y348-I368 HydrophobicContact CD2-CG2 3.5Å; Y348-I368 HydrophobicContact CE2-CG2 4.3Å; Y348-I368 HydrophobicContact CG-CG2 3.9Å; R349-I368 WeakPolarHBondContact O-CA 3.5Å; V350-I368 HydrophobicContact CB-CG1 4.48Å; V350-I368 HydrophobicContact CG1-CG1 4.24Å; V350-I368 HydrophobicContact CG2-CD1 4.36Å; V350-I368 HydrophobicContact CG2-CG1 4.14Å; I368-E380 CarbonylContact O-C 3.42Å; I368-E380 WeakPolarHBondContact O-CA 3.41Å; I368-V381 HydrophobicContact CG2-CG2 4.31Å; I368-V381 VanDerWaalsContact O-CG2 3.32Å; I368-V381 WeakPolarHBondContact O-CG2 3.18Å; I368-V381 PolarHBondContact O-N 2.89Å; I368-S382 WeakPolarHBondContact CB-OG 3.39Å; I368-S382 PolarHBondContact N-O 3.17Å; I368-S382 PolarHBondContact O-N 2.92Å
369E98.8Very high98.1Very high18 Ų1828.8 Ų28.88%0.08416%0.156CC..EExtended strand (participates in β ladder)trans-111.2127.9176.1-53.1-165.7116.300111.2Y348 R349 L351 Y378 G379 E380Y348-E369 CarbonylContact C-O 3.59Å; Y348-E369 WeakPolarHBondContact CA-O 3.3Å; Y348-E369 WeakPolarHBondContact CB-O 3.5Å; R349-E369 HydrophobicContact CG-CB 4.08Å; R349-E369 IonicContact CZ-OE2 2.94Å; R349-E369 PolarHBondContact N-O 3.29Å; R349-E369 IonicContact NE-OE2 3.43Å; R349-E369 PolarHBondContact NE-OE2 3Å; R349-E369 IonicContact NH2-OE2 2.62Å; R349-E369 PolarHBondContact NH2-OE2 3.49Å; R349-E369 PolarHBondContact O-N 3.23Å; L351-E369 HydrophobicContact CD1-CG 3.77Å; L351-E369 HydrophobicContact CG-CG 4.49Å; E369-Y378 HydrophobicContact CB-CD1 4.31Å; E369-Y378 HydrophobicContact CB-CG 4.49Å; E369-Y378 WeakPolarHBondContact O-CD1 3.07Å; E369-Y378 WeakPolarHBondContact OE2-CB 3.37Å; E369-G379 CarbonylContact C-O 3.56Å; E369-G379 VanDerWaalsContact CA-O 3.28Å; E369-G379 WeakPolarHBondContact CA-O 3.04Å; E369-E380 HydrophobicContact CG-CB 4.3Å
370A98.8Very high98.2Very high1 Ų129.2 Ų29.21%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-91.7141.7174.600000110.7L346 M372 Y378 G379 V381 S425L346-A370 HydrophobicContact CD1-CB 4.41Å; A370-M372 PolarHBondContact O-N 3.21Å; A370-Y378 CarbonylContact O-C 3.57Å; A370-Y378 WeakPolarHBondContact O-CA 3.29Å; A370-G379 PolarHBondContact N-O 3.2Å; A370-G379 PolarHBondContact O-N 3.42Å; A370-V381 HydrophobicContact CB-CG1 3.68Å; A370-V381 HydrophobicContact CB-CG2 4.07Å; A370-S425 WeakPolarHBondContact CB-OG 3.35Å
371W98.8Very high98.2Very high27 Ų2727.6 Ų27.610%0.10214%0.137CC..EExtended strand (participates in β ladder)trans-68.8127.8169.7178.1-106.1000109.9K156 H347 P373 N376 Y378K156-W371 HydrophobicContact CD-CD2 4.14Å; K156-W371 HydrophobicContact CD-CZ2 4.14Å; K156-W371 HydrophobicContact CG-CD2 4.28Å; K156-W371 HydrophobicContact CG-CG 4.15Å; H347-W371 HydrophobicContact CB-CB 4.23Å; H347-W371 PolarHBondContact O-N 3.5Å; W371-P373 WeakPolarHBondContact O-CD 3.38Å; W371-N376 VanDerWaalsContact CH2-C 3.45Å; W371-N376 VanDerWaalsContact CH2-OD1 3.3Å; W371-N376 WeakPolarHBondContact CH2-OD1 3.26Å; W371-N376 WeakPolarHBondContact CZ2-OD1 3.38Å; W371-Y378 HydrophobicContact CB-CD1 4.12Å; W371-Y378 HydrophobicContact CB-CE1 3.82Å; W371-Y378 AromaticContact CE3-CD2 3.94Å; W371-Y378 HydrophobicContact CE3-CD2 3.94Å; W371-Y378 HydrophobicContact CE3-CE1 4.5Å; W371-Y378 AromaticContact CE3-CE2 3.93Å; W371-Y378 HydrophobicContact CE3-CE2 3.93Å; W371-Y378 HydrophobicContact CE3-CG 4.25Å; W371-Y378 HydrophobicContact CZ3-CD2 4.37Å; W371-Y378 HydrophobicContact CZ3-CE2 4.44Å
372M98.6Very high98.2Very high0 Ų026.6 Ų26.60%013%0.131CC..EExtended strand (participates in β ladder)trans-114.698.1179.5-64.9177.1-173.200108.8Y304 A370 G374 R375 N376 S377 V381 R421 I424 E428Y304-M372 HydrophobicContact CD2-CE 4.11Å; Y304-M372 HydrophobicContact CD2-SD 3.84Å; Y304-M372 HydrophobicContact CE2-CE 3.87Å; Y304-M372 HydrophobicContact CE2-SD 3.79Å; A370-M372 PolarHBondContact O-N 3.21Å; M372-G374 PolarHBondContact O-N 2.77Å; M372-R375 HydrophobicContact CB-CB 3.75Å; M372-R375 CarbonylContact O-C 3.6Å; M372-R375 PolarHBondContact O-N 3.39Å; M372-N376 PolarHBondContact O-N 3.03Å; M372-S377 PolarHBondContact N-O 3.26Å; M372-V381 HydrophobicContact CE-CG1 4.13Å; M372-R421 HydrophobicContact CE-CB 4.1Å; M372-I424 HydrophobicContact CB-CG2 4.22Å; M372-I424 HydrophobicContact CE-CB 4.48Å; M372-I424 HydrophobicContact CE-CG2 4.39Å; M372-I424 HydrophobicContact CG-CG2 3.89Å; M372-I424 HydrophobicContact SD-CB 4.19Å; M372-I424 HydrophobicContact SD-CG2 3.5Å; M372-I424 VanDerWaalsContact SD-CG2 3.5Å; M372-E428 WeakPolarHBondContact CB-OE2 3.3Å
373P98.4Very high98.2Very high7 Ų727.6 Ų27.65%0.04514%0.138CC..THydrogen-bonded Turntrans-56.5-40.4-169.4-31.235.3000116.5F159 P163 W371 N376 E428F159-P373 HydrophobicContact CE2-CB 3.77Å; F159-P373 HydrophobicContact CE2-CG 3.99Å; F159-P373 HydrophobicContact CZ-CB 4.26Å; F159-P373 HydrophobicContact CZ-CG 4.26Å; P163-P373 HydrophobicContact CB-CB 3.91Å; P163-P373 HydrophobicContact CG-CB 4.2Å; W371-P373 WeakPolarHBondContact O-CD 3.38Å; P373-N376 PolarHBondContact O-N 3.19Å; P373-E428 HydrophobicContact CB-CB 4.42Å; P373-E428 HydrophobicContact CG-CB 4.38Å
374G97.5Very high98.2Very high27 Ų2725.2 Ų25.228%0.27813%0.128SC..THydrogen-bonded Turntrans-75-31.9179.500000112.6M372 N376 E428M372-G374 PolarHBondContact O-N 2.77Å; G374-N376 VanDerWaalsContact C-N 3.33Å; G374-E428 WeakPolarHBondContact CA-OE2 3.27Å; G374-E428 PolarHBondContact N-OE2 2.88Å
375R95.9Very high98.2Very high95 Ų9525 Ų2536%0.35813%0.129SC..THydrogen-bonded Turntrans-73-25.9169.6-173.1-177.2171.7840112.7E299 M372 S377 E428E299-R375 IonicContact OE1-CZ 3.3Å; E299-R375 IonicContact OE1-NH1 2.65Å; E299-R375 PolarHBondContact OE1-NH1 3.44Å; E299-R375 IonicContact OE1-NH2 3.22Å; E299-R375 PolarHBondContact OE1-NH2 3Å; E299-R375 IonicContact OE2-NH1 2.9Å; M372-R375 HydrophobicContact CB-CB 3.75Å; M372-R375 CarbonylContact O-C 3.6Å; M372-R375 PolarHBondContact O-N 3.39Å; R375-S377 VanDerWaalsContact C-N 3.28Å; R375-S377 WeakPolarHBondContact CD-OG 3.27Å; R375-S377 PolarHBondContact NE-OG 3.03Å; R375-S377 PolarHBondContact O-N 3.47Å; R375-E428 PolarHBondContact N-OE2 2.97Å
376N96.8Very high98.2Very high121 Ų12123.7 Ų23.765%0.64712%0.124SC*.THydrogen-bonded Turntrans57.437.5-175.9-168.748.9000113.4W371 M372 P373 G374W371-N376 VanDerWaalsContact CH2-C 3.45Å; W371-N376 VanDerWaalsContact CH2-OD1 3.3Å; W371-N376 WeakPolarHBondContact CH2-OD1 3.26Å; W371-N376 WeakPolarHBondContact CZ2-OD1 3.38Å; M372-N376 PolarHBondContact O-N 3.03Å; P373-N376 PolarHBondContact O-N 3.19Å; G374-N376 VanDerWaalsContact C-N 3.33Å
377S97.3Very high98.2Very high36 Ų3622.7 Ų22.725%0.25212%0.12SC..EExtended strand (participates in β ladder)trans-148164.6172.680.40000110.3M372 R375M372-S377 PolarHBondContact N-O 3.26Å; R375-S377 VanDerWaalsContact C-N 3.28Å; R375-S377 WeakPolarHBondContact CD-OG 3.27Å; R375-S377 PolarHBondContact NE-OG 3.03Å; R375-S377 PolarHBondContact O-N 3.47Å
378Y98.3Very high98.2Very high42 Ų4222.9 Ų22.917%0.16512%0.121CC..EExtended strand (participates in β ladder)trans-70.8154.6157.6-72.7-81.9000109.6L152 H347 R349 E369 A370 W371L152-Y378 WeakPolarHBondContact CD1-OH 3.26Å; H347-Y378 PolarHBondContact CD2-OH 2.92Å; H347-Y378 PolarHBondContact NE2-OH 3.4Å; R349-Y378 HydrophobicContact CB-CE1 4.48Å; R349-Y378 HydrophobicContact CG-CD1 3.99Å; R349-Y378 HydrophobicContact CG-CE1 4.16Å; R349-Y378 HydrophobicContact CG-CG 4.33Å; E369-Y378 HydrophobicContact CB-CD1 4.31Å; E369-Y378 HydrophobicContact CB-CG 4.49Å; E369-Y378 WeakPolarHBondContact O-CD1 3.07Å; E369-Y378 WeakPolarHBondContact OE2-CB 3.37Å; A370-Y378 CarbonylContact O-C 3.57Å; A370-Y378 WeakPolarHBondContact O-CA 3.29Å; W371-Y378 HydrophobicContact CB-CD1 4.12Å; W371-Y378 HydrophobicContact CB-CE1 3.82Å; W371-Y378 AromaticContact CE3-CD2 3.94Å; W371-Y378 HydrophobicContact CE3-CD2 3.94Å; W371-Y378 HydrophobicContact CE3-CE1 4.5Å; W371-Y378 AromaticContact CE3-CE2 3.93Å; W371-Y378 HydrophobicContact CE3-CE2 3.93Å; W371-Y378 HydrophobicContact CE3-CG 4.25Å; W371-Y378 HydrophobicContact CZ3-CD2 4.37Å; W371-Y378 HydrophobicContact CZ3-CE2 4.44Å
379G97.1Very high98.2Very high0 Ų024.7 Ų24.70%013%0.131CC..EExtended strand (participates in β ladder)trans-151.4136.1167.300000111.8Y304 E369 A370 V381Y304-G379 WeakPolarHBondContact OH-CA 3.34Å; E369-G379 CarbonylContact C-O 3.56Å; E369-G379 VanDerWaalsContact CA-O 3.28Å; E369-G379 WeakPolarHBondContact CA-O 3.04Å; A370-G379 PolarHBondContact N-O 3.2Å; A370-G379 PolarHBondContact O-N 3.42Å; G379-V381 PolarHBondContact O-N 3.24Å
380E97.8Very high98.2Very high55 Ų5524.2 Ų24.226%0.25713%0.128SC..EExtended strand (participates in β ladder)trans-50.6121.2178.4-178.4-145163.900111.2D367 I368 E369 R421D367-E380 HydrophobicContact CB-CG 4.35Å; I368-E380 CarbonylContact O-C 3.42Å; I368-E380 WeakPolarHBondContact O-CA 3.41Å; E369-E380 HydrophobicContact CG-CB 4.3Å; E380-R421 WeakPolarHBondContact O-CD 3.38Å; E380-R421 PolarHBondContact O-NH1 3.34Å; E380-R421 IonicContact OE2-CZ 3.55Å; E380-R421 IonicContact OE2-NH1 3.76Å; E380-R421 PolarHBondContact OE2-NH1 3.39Å
381V98.3Very high98.2Very high3 Ų324.1 Ų24.12%0.01813%0.128CC..EExtended strand (participates in β ladder)trans-109.2-16.1173.7-69.80000112.4F341 I368 A370 M372 G379 R421 M422F341-V381 HydrophobicContact CD2-CG2 4.3Å; F341-V381 HydrophobicContact CE1-CG2 4.46Å; F341-V381 HydrophobicContact CE2-CG2 3.88Å; F341-V381 HydrophobicContact CZ-CG2 3.98Å; I368-V381 HydrophobicContact CG2-CG2 4.31Å; I368-V381 VanDerWaalsContact O-CG2 3.32Å; I368-V381 WeakPolarHBondContact O-CG2 3.18Å; I368-V381 PolarHBondContact O-N 2.89Å; A370-V381 HydrophobicContact CB-CG1 3.68Å; A370-V381 HydrophobicContact CB-CG2 4.07Å; M372-V381 HydrophobicContact CE-CG1 4.13Å; G379-V381 PolarHBondContact O-N 3.24Å; V381-R421 HydrophobicContact CG1-CB 4.07Å; V381-M422 HydrophobicContact CB-SD 3.82Å; V381-M422 HydrophobicContact CG1-SD 3.98Å; V381-M422 HydrophobicContact CG2-SD 4.37Å
382S98.4Very high98.2Very high1 Ų122.9 Ų22.91%0.00712%0.123CC..EExtended strand (participates in β ladder)trans-157.4157.5173.7640000112.3Q337 F341 D367 I368 T415Q337-S382 PolarHBondContact NE2-OG 3.42Å; F341-S382 VanDerWaalsContact CE2-OG 3.27Å; F341-S382 WeakPolarHBondContact CE2-OG 3.36Å; D367-S382 CarbonylContact C-O 3.56Å; D367-S382 WeakPolarHBondContact CA-O 3.36Å; I368-S382 WeakPolarHBondContact CB-OG 3.39Å; I368-S382 PolarHBondContact N-O 3.17Å; I368-S382 PolarHBondContact O-N 2.92Å; S382-T415 VanDerWaalsContact CB-O 3.27Å; S382-T415 WeakPolarHBondContact CB-O 3.34Å
383S98.4Very high98.2Very high23 Ų2325 Ų2516%0.16113%0.131CC..EExtended strand (participates in β ladder)trans-127.6154.8166.643.10000109.6Q337 Y366 D367 A414 T415Q337-S383 PolarHBondContact NE2-O 2.9Å; Q337-S383 VanDerWaalsContact NE2-O 3.12Å; Y366-S383 CarbonylContact O-C 3.56Å; Y366-S383 WeakPolarHBondContact O-CA 3.35Å; D367-S383 WeakPolarHBondContact OD1-CA 3.32Å; D367-S383 WeakPolarHBondContact OD1-CB 3.4Å; S383-A414 CarbonylContact O-C 3.58Å; S383-A414 VanDerWaalsContact O-CA 3.31Å; S383-A414 WeakPolarHBondContact O-CA 3.49Å; S383-T415 PolarHBondContact O-N 3.3Å
384A98.9Very high98.2Very high0 Ų025.6 Ų25.60%013%0.132CC..EExtended strand (participates in β ladder)trans-140.6128.3174.500000109.2L330 V334 K365 Y366 N413 A414L330-A384 HydrophobicContact CD1-CB 3.71Å; V334-A384 HydrophobicContact CG2-CB 3.82Å; K365-A384 CarbonylContact C-O 3.53Å; K365-A384 VanDerWaalsContact CA-O 3.26Å; K365-A384 WeakPolarHBondContact CA-O 3.38Å; Y366-A384 PolarHBondContact N-O 2.93Å; Y366-A384 PolarHBondContact O-N 3.45Å; A384-N413 CarbonylContact C-O 3.57Å; A384-N413 WeakPolarHBondContact CA-O 3.34Å; A384-A414 HydrophobicContact CB-CB 3.6Å
385S98.9Very high98.3Very high12 Ų1224.4 Ų24.48%0.08412%0.12CC..EExtended strand (participates in β ladder)trans-130.5130.9-174-52.80000111.1R364 V412 N413R364-S385 WeakPolarHBondContact O-CA 3.45Å; S385-V412 WeakPolarHBondContact O-CA 3.44Å; S385-V412 WeakPolarHBondContact O-CG1 3.38Å; S385-N413 PolarHBondContact N-O 3.42Å; S385-N413 PolarHBondContact O-N 3.12Å
386N98.9Very high98.4Very high0 Ų021.5 Ų21.50%011%0.111CC..EExtended strand (participates in β ladder)trans-87.9118.8160.5179.9-0.9000107.7S326 L330 Y363 R364 T388 V412S326-N386 WeakPolarHBondContact CB-ND2 3.33Å; S326-N386 PolarHBondContact OG-ND2 3.3Å; L330-N386 HydrophobicContact CB-CB 4.27Å; L330-N386 HydrophobicContact CD2-CB 3.84Å; Y363-N386 WeakPolarHBondContact CB-O 3.42Å; Y363-N386 PolarHBondContact N-O 3.5Å; R364-N386 PolarHBondContact O-N 3.01Å; N386-T388 PolarHBondContact OD1-N 3.3Å; N386-V412 HydrophobicContact CB-CG2 4.45Å
387C98.9Very high98.5Very high0 Ų015.7 Ų15.70%08%0.08CC..  trans-100.14.4-179.4-65.40000113N133 P361 D389 Y390 Q391 T411N133-C387 PolarHBondContact ND2-O 3.28Å; P361-C387 HydrophobicContact CB-CB 4.49Å; P361-C387 WeakPolarHBondContact O-CA 3.46Å; C387-D389 PolarHBondContact O-N 2.96Å; C387-Y390 WeakPolarHBondContact O-CB 3.27Å; C387-Y390 PolarHBondContact O-N 3.29Å; C387-Q391 HydrophobicContact CB-CG 4.09Å; C387-T411 PolarHBondContact N-O 2.95Å
388T98.8Very high98.6Very high13 Ų1314.9 Ų14.98%0.087%0.073CC..THydrogen-bonded Turntrans41.2-131.4-172.459.20000109.9N133 Y363 N386 H410 T411N133-T388 PolarHBondContact ND2-OG1 3.25Å; N133-T388 PolarHBondContact OD1-OG1 3.42Å; Y363-T388 HydrophobicContact CD1-CG2 3.79Å; Y363-T388 HydrophobicContact CD2-CG2 4.45Å; Y363-T388 HydrophobicContact CE1-CG2 4.5Å; Y363-T388 HydrophobicContact CG-CG2 3.77Å; N386-T388 PolarHBondContact OD1-N 3.3Å; T388-H410 CarbonylContact O-C 3.44Å; T388-H410 VanDerWaalsContact O-CA 3.25Å; T388-H410 WeakPolarHBondContact O-CA 3.41Å; T388-T411 PolarHBondContact O-N 3.43Å; T388-T411 PolarHBondContact O-OG1 3.02Å
389D98.6Very high98.6Very high37 Ų3713 Ų1320%0.1987%0.065CC..THydrogen-bonded Turntrans-91.310.9177.961.1-5.1000114.3C387 Q391 S392 R393C387-D389 PolarHBondContact O-N 2.96Å; D389-Q391 PolarHBondContact O-N 2.84Å; D389-S392 WeakPolarHBondContact CA-OG 3.44Å; D389-S392 WeakPolarHBondContact CB-OG 3.37Å; D389-S392 PolarHBondContact O-N 2.97Å; D389-S392 PolarHBondContact O-OG 2.87Å; D389-S392 VanDerWaalsContact O-OG 3.12Å; D389-R393 HydrophobicContact CB-CG 4.17Å; D389-R393 VanDerWaalsContact O-CB 3.26Å; D389-R393 WeakPolarHBondContact O-CB 3.44Å; D389-R393 VanDerWaalsContact O-CG 3.31Å; D389-R393 WeakPolarHBondContact O-CG 3.4Å; D389-R393 PolarHBondContact O-N 3.44Å; D389-R393 IonicContact OD2-CZ 3.56Å; D389-R393 IonicContact OD2-NE 3.78Å; D389-R393 PolarHBondContact OD2-NE 3.5Å; D389-R393 IonicContact OD2-NH2 2.71Å; D389-R393 PolarHBondContact OD2-NH2 2.96Å
390Y98.8Very high98.6Very high8 Ų817 Ų173%0.0318%0.084CC..THydrogen-bonded Turntrans-58.9-50.4-178.5-179.5-81.4000112.1L131 N133 P361 C387 R394L131-Y390 WeakPolarHBondContact O-CE2 3.36Å; N133-Y390 HydrophobicContact CB-CD2 3.73Å; N133-Y390 HydrophobicContact CB-CG 4.31Å; P361-Y390 HydrophobicContact CB-CD1 3.51Å; P361-Y390 HydrophobicContact CB-CE1 3.79Å; P361-Y390 HydrophobicContact CB-CG 4.03Å; C387-Y390 WeakPolarHBondContact O-CB 3.27Å; C387-Y390 PolarHBondContact O-N 3.29Å; Y390-R394 VanDerWaalsContact CZ-NE 3.32Å; Y390-R394 WeakPolarHBondContact O-CD 3.37Å; Y390-R394 WeakPolarHBondContact O-CG 3.47Å; Y390-R394 PolarHBondContact O-NH1 2.87Å; Y390-R394 PolarHBondContact OH-NE 3.42Å; Y390-R394 PolarHBondContact OH-NH2 3.32Å
391Q98.8Very high98.6Very high0 Ų018 Ų180%09%0.086CC..THydrogen-bonded Turntrans-75.1-41.1-178.2-58.3-174.3-29.700110.5C233 E262 C387 D389 R393 R394 L395 T411C233-Q391 PolarHBondContact O-NE2 2.92Å; E262-Q391 PolarHBondContact OE1-NE2 2.65Å; C387-Q391 HydrophobicContact CB-CG 4.09Å; D389-Q391 PolarHBondContact O-N 2.84Å; Q391-R393 PolarHBondContact O-N 3.35Å; Q391-R394 PolarHBondContact O-N 3.29Å; Q391-R394 VanDerWaalsContact O-N 3.14Å; Q391-L395 WeakPolarHBondContact O-CB 3.43Å; Q391-L395 PolarHBondContact O-N 2.92Å; Q391-T411 HydrophobicContact CB-CG2 4.42Å; Q391-T411 PolarHBondContact OE1-OG1 2.8Å
392S98.8Very high98.4Very high0 Ų026.6 Ų26.60%013%0.126CC..Hα-helixtrans-66.8-38.3-177.556.80000113.1D389 R394 L395 N396 I397 Y408 A409D389-S392 WeakPolarHBondContact CA-OG 3.44Å; D389-S392 WeakPolarHBondContact CB-OG 3.37Å; D389-S392 PolarHBondContact O-N 2.97Å; D389-S392 PolarHBondContact O-OG 2.87Å; D389-S392 VanDerWaalsContact O-OG 3.12Å; S392-R394 PolarHBondContact O-N 3.12Å; S392-L395 PolarHBondContact O-N 2.94Å; S392-N396 CarbonylContact O-C 3.59Å; S392-N396 WeakPolarHBondContact O-CA 3.37Å; S392-N396 PolarHBondContact O-N 3.11Å; S392-I397 VanDerWaalsContact CB-O 3.23Å; S392-I397 WeakPolarHBondContact CB-O 3.35Å; S392-I397 PolarHBondContact O-N 3.37Å; S392-Y408 WeakPolarHBondContact O-CD1 3.29Å; S392-A409 WeakPolarHBondContact CB-O 3.48Å; S392-A409 PolarHBondContact OG-O 3.19Å
393R98.6Very high98.3Very high45 Ų4532.6 Ų32.617%0.1716%0.157CC..Hα-helixtrans-67.3-19.7173.9-75.1176.5174.2-72.3-3.2114P17 E18 D389 Q391 Y408P17-R393 CarbonylContact C-O 3.58Å; P17-R393 VanDerWaalsContact CA-O 3.23Å; P17-R393 WeakPolarHBondContact CA-O 3.3Å; E18-R393 PolarHBondContact N-O 2.89Å; E18-R393 VanDerWaalsContact N-O 3.08Å; E18-R393 WeakPolarHBondContact O-CB 3.47Å; E18-R393 WeakPolarHBondContact O-CD 3.3Å; E18-R393 VanDerWaalsContact O-CG 3.29Å; E18-R393 WeakPolarHBondContact O-CG 3.33Å; E18-R393 PolarHBondContact O-NH1 3.25Å; D389-R393 HydrophobicContact CB-CG 4.17Å; D389-R393 VanDerWaalsContact O-CB 3.26Å; D389-R393 WeakPolarHBondContact O-CB 3.44Å; D389-R393 VanDerWaalsContact O-CG 3.31Å; D389-R393 WeakPolarHBondContact O-CG 3.4Å; D389-R393 PolarHBondContact O-N 3.44Å; D389-R393 IonicContact OD2-CZ 3.56Å; D389-R393 IonicContact OD2-NE 3.78Å; D389-R393 PolarHBondContact OD2-NE 3.5Å; D389-R393 IonicContact OD2-NH2 2.71Å; D389-R393 PolarHBondContact OD2-NH2 2.96Å; Q391-R393 PolarHBondContact O-N 3.35Å; R393-Y408 HydrophobicContact CG-CD1 4Å; R393-Y408 HydrophobicContact CG-CD2 4.12Å; R393-Y408 HydrophobicContact CG-CE1 4.28Å; R393-Y408 HydrophobicContact CG-CE2 4.4Å; R393-Y408 HydrophobicContact CG-CG 3.92Å
394R98.7Very high98.2Very high20 Ų2033.4 Ų33.48%0.07517%0.17CC..Hα-helixtrans-94.4-32.9178.7-71.4169.6170.766.42.3113L5 L129 L131 Y390 Q391 S392L5-R394 HydrophobicContact CD1-CB 4.02Å; L5-R394 HydrophobicContact CD1-CG 4.07Å; L5-R394 HydrophobicContact CD2-CB 4.4Å; L5-R394 VanDerWaalsContact CD2-O 3.31Å; L5-R394 WeakPolarHBondContact CD2-O 3.47Å; L129-R394 HydrophobicContact CD2-CG 4.35Å; L129-R394 PolarHBondContact O-NH2 2.84Å; L129-R394 VanDerWaalsContact O-NH2 3.11Å; L131-R394 PolarHBondContact O-NH2 3.38Å; Y390-R394 VanDerWaalsContact CZ-NE 3.32Å; Y390-R394 WeakPolarHBondContact O-CD 3.37Å; Y390-R394 WeakPolarHBondContact O-CG 3.47Å; Y390-R394 PolarHBondContact O-NH1 2.87Å; Y390-R394 PolarHBondContact OH-NE 3.42Å; Y390-R394 PolarHBondContact OH-NH2 3.32Å; Q391-R394 PolarHBondContact O-N 3.29Å; Q391-R394 VanDerWaalsContact O-N 3.14Å; S392-R394 PolarHBondContact O-N 3.12Å
395L98.8Very high98.1Very high2 Ų235.2 Ų35.21%0.0118%0.182CC..Hα-helixtrans-108.75.7-177.3-63.5176.8000112.8L5 A266 M270 D271 Q391 S392 I397L5-L395 HydrophobicContact CD2-CD2 4.45Å; A266-L395 HydrophobicContact CB-CD1 3.93Å; M270-L395 CarbonylContact C-O 3.5Å; M270-L395 WeakPolarHBondContact CA-O 3.46Å; M270-L395 HydrophobicContact CB-CB 4.2Å; M270-L395 HydrophobicContact CG-CB 4.12Å; M270-L395 HydrophobicContact CG-CD2 4.15Å; M270-L395 WeakPolarHBondContact CG-O 3.49Å; M270-L395 HydrophobicContact SD-CD2 3.84Å; D271-L395 PolarHBondContact N-O 3.13Å; Q391-L395 WeakPolarHBondContact O-CB 3.43Å; Q391-L395 PolarHBondContact O-N 2.92Å; S392-L395 PolarHBondContact O-N 2.94Å; L395-I397 VanDerWaalsContact C-N 3.34Å; L395-I397 HydrophobicContact CB-CD1 4.06Å; L395-I397 HydrophobicContact CB-CG1 3.96Å; L395-I397 HydrophobicContact CD1-CD1 4.32Å; L395-I397 PolarHBondContact O-N 3.47Å
396N98.6Very high98.1Very high33 Ų3338.9 Ų38.918%0.17620%0.2CC..THydrogen-bonded Turntrans53.747.9-177.9-16529.7000113.1D271 S392 L398D271-N396 PolarHBondContact N-O 2.76Å; D271-N396 VanDerWaalsContact OD1-CB 3.25Å; D271-N396 WeakPolarHBondContact OD1-CB 3.39Å; D271-N396 PolarHBondContact OD1-ND2 2.72Å; D271-N396 VanDerWaalsContact OD1-ND2 3.11Å; S392-N396 CarbonylContact O-C 3.59Å; S392-N396 WeakPolarHBondContact O-CA 3.37Å; S392-N396 PolarHBondContact O-N 3.11Å; N396-L398 PolarHBondContact O-N 3.01Å; N396-L398 WeakPolarHBondContact OD1-CD1 3.48Å
397I98.8Very high98Very high0 Ų042.5 Ų42.50%022%0.217CC..  trans-87.9107177.7-57.3168.9000108.8F269 V317 S392 L395 A409 T411F269-I397 HydrophobicContact CB-CB 4.36Å; F269-I397 HydrophobicContact CB-CD1 3.98Å; F269-I397 HydrophobicContact CB-CG1 3.83Å; F269-I397 HydrophobicContact CB-CG2 3.72Å; F269-I397 HydrophobicContact CG-CG2 4.42Å; V317-I397 HydrophobicContact CG1-CG2 4.21Å; S392-I397 VanDerWaalsContact CB-O 3.23Å; S392-I397 WeakPolarHBondContact CB-O 3.35Å; S392-I397 PolarHBondContact O-N 3.37Å; L395-I397 VanDerWaalsContact C-N 3.34Å; L395-I397 HydrophobicContact CB-CD1 4.06Å; L395-I397 HydrophobicContact CB-CG1 3.96Å; L395-I397 HydrophobicContact CD1-CD1 4.32Å; L395-I397 PolarHBondContact O-N 3.47Å; I397-A409 HydrophobicContact CG2-CB 4.28Å; I397-A409 PolarHBondContact O-N 3.14Å; I397-T411 HydrophobicContact CD1-CG2 4.29Å
398L98.7Very high98Very high18 Ų1844.5 Ų44.59%0.09423%0.225CC..EExtended strand (participates in β ladder)trans-112.5167.9-170.7-58.4173.1000112H272 A273 V274 N396 L406 Q407 Y408H272-L398 PolarHBondContact O-N 3.48Å; A273-L398 CarbonylContact C-O 3.58Å; A273-L398 VanDerWaalsContact CA-O 3.28Å; A273-L398 WeakPolarHBondContact CA-O 3.42Å; A273-L398 HydrophobicContact CB-CB 3.94Å; V274-L398 PolarHBondContact N-O 2.98Å; N396-L398 PolarHBondContact O-N 3.01Å; N396-L398 WeakPolarHBondContact OD1-CD1 3.48Å; L398-L406 HydrophobicContact CD1-CB 4.11Å; L398-L406 HydrophobicContact CD1-CD1 3.92Å; L398-L406 HydrophobicContact CD1-CG 4.46Å; L398-Q407 CarbonylContact C-O 3.55Å; L398-Q407 WeakPolarHBondContact CA-O 3.47Å; L398-Y408 HydrophobicContact CD2-CD1 3.49Å; L398-Y408 VanDerWaalsContact CD2-CD1 3.49Å; L398-Y408 HydrophobicContact CD2-CD2 4.41Å; L398-Y408 HydrophobicContact CD2-CE1 3.62Å; L398-Y408 HydrophobicContact CD2-CG 3.91Å
399Y98.6Very high98Very high3 Ų343.9 Ų43.91%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-127.2147.6156.965.6-91.7000110.9V274 W276 L279 E321 R401 L406 Q407 Y408 A409V274-Y399 CarbonylContact O-C 3.48Å; V274-Y399 WeakPolarHBondContact O-CA 3.46Å; V274-Y399 WeakPolarHBondContact O-CB 3.48Å; W276-Y399 AromaticContact CE3-CD2 3.53Å; W276-Y399 HydrophobicContact CE3-CD2 3.53Å; W276-Y399 AromaticContact CE3-CE2 3.32Å; W276-Y399 HydrophobicContact CE3-CE2 3.32Å; W276-Y399 HydrophobicContact CZ3-CD2 4.01Å; W276-Y399 AromaticContact CZ3-CE2 3.4Å; W276-Y399 HydrophobicContact CZ3-CE2 3.4Å; W276-Y399 AromaticContact CZ3-CZ 3.89Å; L279-Y399 HydrophobicContact CD1-CD1 4.22Å; L279-Y399 HydrophobicContact CD1-CD2 4.02Å; L279-Y399 HydrophobicContact CD1-CG 3.75Å; E321-Y399 WeakPolarHBondContact OE1-CE2 3.41Å; E321-Y399 PolarHBondContact OE1-OH 3.31Å; Y399-R401 HydrophobicContact CD2-CG 4.35Å; Y399-R401 HydrophobicContact CE2-CG 3.97Å; Y399-L406 WeakPolarHBondContact O-CA 3.47Å; Y399-Q407 HydrophobicContact CD1-CB 4.17Å; Y399-Q407 HydrophobicContact CD2-CB 4.28Å; Y399-Q407 HydrophobicContact CE1-CB 3.62Å; Y399-Q407 HydrophobicContact CE2-CB 3.75Å; Y399-Q407 HydrophobicContact CE2-CG 4.07Å; Y399-Q407 HydrophobicContact CG-CB 4.5Å; Y399-Q407 VanDerWaalsContact CZ-CB 3.41Å; Y399-Q407 PolarHBondContact N-O 3.39Å; Y399-Q407 PolarHBondContact O-N 3.41Å; Y399-Y408 WeakPolarHBondContact CE1-O 3.29Å; Y399-A409 HydrophobicContact CD1-CB 3.94Å
400E98.4Very high98Very high84 Ų8442.6 Ų42.639%0.39321%0.214SC..EExtended strand (participates in β ladder)trans-99.2121.8176.8-172-179.2-133.700110V274 W276 S405 L406V274-E400 PolarHBondContact O-N 3.39Å; W276-E400 WeakPolarHBondContact CB-O 3.44Å; W276-E400 PolarHBondContact N-O 2.96Å; E400-S405 WeakPolarHBondContact CA-O 3.19Å; E400-L406 HydrophobicContact CB-CD2 3.81Å; E400-L406 HydrophobicContact CG-CD2 4.11Å
401R96.5Very high98Very high77 Ų7742.2 Ų42.229%0.29121%0.213SC..  trans-73168.7174.3-65.4-168.8-168.1-133.3-4111.7E321 Y399 D403 G404 S405 Q407E321-R401 VanDerWaalsContact CD-NH1 3.28Å; E321-R401 IonicContact OE1-CZ 2.71Å; E321-R401 IonicContact OE1-NE 2.69Å; E321-R401 PolarHBondContact OE1-NE 3.41Å; E321-R401 IonicContact OE1-NH1 2.74Å; E321-R401 PolarHBondContact OE1-NH1 2.97Å; E321-R401 IonicContact OE1-NH2 2.69Å; E321-R401 PolarHBondContact OE1-NH2 3.21Å; E321-R401 IonicContact OE2-CZ 2.61Å; E321-R401 IonicContact OE2-NH1 2.91Å; E321-R401 PolarHBondContact OE2-NH1 3.43Å; E321-R401 IonicContact OE2-NH2 3.03Å; E321-R401 PolarHBondContact OE2-NH2 2.73Å; Y399-R401 HydrophobicContact CD2-CG 4.35Å; Y399-R401 HydrophobicContact CE2-CG 3.97Å; R401-D403 VanDerWaalsContact CB-OD1 3.27Å; R401-D403 WeakPolarHBondContact CB-OD1 3.33Å; R401-D403 PolarHBondContact O-N 3.1Å; R401-D403 VanDerWaalsContact O-N 3.17Å; R401-G404 PolarHBondContact O-N 3.39Å; R401-S405 WeakPolarHBondContact CD-OG 3.47Å; R401-S405 PolarHBondContact N-O 3.42Å; R401-Q407 HydrophobicContact CG-CG 4.43Å
402E94.1Very high98Very high183 Ų18342.2 Ų42.286%0.85521%0.213SC*.THydrogen-bonded Turntrans-59.8-25.7176-65.6-172.6170.300113.8G404E402-G404 VanDerWaalsContact C-N 3.28Å
403D96.1Very high98Very high126 Ų12642.7 Ų42.767%0.67422%0.215SC*.THydrogen-bonded Turntrans-84.42.3176.269.3-3.1000113.8R401 S405R401-D403 VanDerWaalsContact CB-OD1 3.27Å; R401-D403 WeakPolarHBondContact CB-OD1 3.33Å; R401-D403 PolarHBondContact O-N 3.1Å; R401-D403 VanDerWaalsContact O-N 3.17Å; D403-S405 VanDerWaalsContact C-N 3.3Å; D403-S405 VanDerWaalsContact OD1-CB 3.23Å; D403-S405 WeakPolarHBondContact OD1-CB 3.42Å; D403-S405 PolarHBondContact OD1-N 2.98Å; D403-S405 PolarHBondContact OD1-OG 3.37Å
404G96.6Very high98.1Very high41 Ų4140.6 Ų40.642%0.42321%0.207SC..SBendtrans80.24.1-177.500000114.4R401 E402R401-G404 PolarHBondContact O-N 3.39Å; E402-G404 VanDerWaalsContact C-N 3.28Å
405S97.4Very high98.1Very high37 Ų3740 Ų4026%0.25921%0.206SC..  trans-76.4140.6175.666.10000111.6E400 R401 D403E400-S405 WeakPolarHBondContact CA-O 3.19Å; R401-S405 WeakPolarHBondContact CD-OG 3.47Å; R401-S405 PolarHBondContact N-O 3.42Å; D403-S405 VanDerWaalsContact C-N 3.3Å; D403-S405 VanDerWaalsContact OD1-CB 3.23Å; D403-S405 WeakPolarHBondContact OD1-CB 3.42Å; D403-S405 PolarHBondContact OD1-N 2.98Å; D403-S405 PolarHBondContact OD1-OG 3.37Å
406L98.2Very high98Very high89 Ų8940 Ų4047%0.46621%0.206SC..EExtended strand (participates in β ladder)trans-94.6138.7177.3-62.6177000110.7A273 L398 Y399 E400A273-L406 HydrophobicContact CB-CD2 3.71Å; L398-L406 HydrophobicContact CD1-CB 4.11Å; L398-L406 HydrophobicContact CD1-CD1 3.92Å; L398-L406 HydrophobicContact CD1-CG 4.46Å; Y399-L406 WeakPolarHBondContact O-CA 3.47Å; E400-L406 HydrophobicContact CB-CD2 3.81Å; E400-L406 HydrophobicContact CG-CD2 4.11Å
407Q98.2Very high98Very high76 Ų7638.6 Ų38.636%0.35520%0.199SC..EExtended strand (participates in β ladder)trans-136.3148.9176.7-62.5-63.6-54.700110.3L398 Y399 R401 A409L398-Q407 CarbonylContact C-O 3.55Å; L398-Q407 WeakPolarHBondContact CA-O 3.47Å; Y399-Q407 HydrophobicContact CD1-CB 4.17Å; Y399-Q407 HydrophobicContact CD2-CB 4.28Å; Y399-Q407 HydrophobicContact CE1-CB 3.62Å; Y399-Q407 HydrophobicContact CE2-CB 3.75Å; Y399-Q407 HydrophobicContact CE2-CG 4.07Å; Y399-Q407 HydrophobicContact CG-CB 4.5Å; Y399-Q407 VanDerWaalsContact CZ-CB 3.41Å; Y399-Q407 PolarHBondContact N-O 3.39Å; Y399-Q407 PolarHBondContact O-N 3.41Å; R401-Q407 HydrophobicContact CG-CG 4.43Å; Q407-A409 PolarHBondContact O-N 3.03Å
408Y98.4Very high97.9Very high42 Ų4239.3 Ų39.317%0.16521%0.205CC..EExtended strand (participates in β ladder)trans-66.3126.6172.4-70.4-75.5000110.7E18 S392 R393 L398 Y399E18-Y408 HydrophobicContact CB-CE2 4.04Å; E18-Y408 WeakPolarHBondContact CB-OH 3.42Å; E18-Y408 HydrophobicContact CG-CE2 4.31Å; E18-Y408 WeakPolarHBondContact OE2-CE2 3.24Å; E18-Y408 PolarHBondContact OE2-OH 3.37Å; S392-Y408 WeakPolarHBondContact O-CD1 3.29Å; R393-Y408 HydrophobicContact CG-CD1 4Å; R393-Y408 HydrophobicContact CG-CD2 4.12Å; R393-Y408 HydrophobicContact CG-CE1 4.28Å; R393-Y408 HydrophobicContact CG-CE2 4.4Å; R393-Y408 HydrophobicContact CG-CG 3.92Å; L398-Y408 HydrophobicContact CD2-CD1 3.49Å; L398-Y408 VanDerWaalsContact CD2-CD1 3.49Å; L398-Y408 HydrophobicContact CD2-CD2 4.41Å; L398-Y408 HydrophobicContact CD2-CE1 3.62Å; L398-Y408 HydrophobicContact CD2-CG 3.91Å; Y399-Y408 WeakPolarHBondContact CE1-O 3.29Å
409A98.8Very high97.9Very high0 Ų038.4 Ų38.40%020%0.2CC..PPolyproline II helixtrans-73.3160173.900000110.9V317 S392 I397 Y399 Q407V317-A409 HydrophobicContact CG1-CB 3.45Å; V317-A409 VanDerWaalsContact CG1-CB 3.45Å; S392-A409 WeakPolarHBondContact CB-O 3.48Å; S392-A409 PolarHBondContact OG-O 3.19Å; I397-A409 HydrophobicContact CG2-CB 4.28Å; I397-A409 PolarHBondContact O-N 3.14Å; Y399-A409 HydrophobicContact CD1-CB 3.94Å; Q407-A409 PolarHBondContact O-N 3.03Å
410H98.9Very high97.9Very high11 Ų1138.6 Ų38.65%0.05120%0.201CC..EExtended strand (participates in β ladder)trans-91.4146.4161.7-78.5-161.9000111V317 T318 N320 S326 T388V317-H410 WeakPolarHBondContact CA-O 3.36Å; T318-H410 HydrophobicContact CG2-CB 3.96Å; T318-H410 PolarHBondContact N-O 3.32Å; T318-H410 PolarHBondContact O-N 3.45Å; N320-H410 VanDerWaalsContact CG-NE2 3.27Å; N320-H410 PolarHBondContact ND2-CE1 3.4Å; N320-H410 PolarHBondContact ND2-NE2 3.34Å; N320-H410 VanDerWaalsContact ND2-NE2 3.2Å; N320-H410 PolarHBondContact OD1-CE1 3.4Å; N320-H410 VanDerWaalsContact OD1-CE1 3.25Å; S326-H410 WeakPolarHBondContact CB-ND1 3.36Å; S326-H410 PolarHBondContact OG-ND1 3.01Å; T388-H410 CarbonylContact O-C 3.44Å; T388-H410 VanDerWaalsContact O-CA 3.25Å; T388-H410 WeakPolarHBondContact O-CA 3.41Å
411T98.9Very high97.9Very high0 Ų036.4 Ų36.40%019%0.19CC..EExtended strand (participates in β ladder)trans-117.1137.8179.950.60000111.1F315 G316 C387 T388 Q391 I397F315-T411 HydrophobicContact CE1-CG2 4.33Å; F315-T411 HydrophobicContact CZ-CG2 3.96Å; G316-T411 WeakPolarHBondContact O-CA 3.5Å; C387-T411 PolarHBondContact N-O 2.95Å; T388-T411 PolarHBondContact O-N 3.43Å; T388-T411 PolarHBondContact O-OG1 3.02Å; Q391-T411 HydrophobicContact CB-CG2 4.42Å; Q391-T411 PolarHBondContact OE1-OG1 2.8Å; I397-T411 HydrophobicContact CD1-CG2 4.29Å
412V98.9Very high98Very high0 Ų032.8 Ų32.80%018%0.176CC..EExtended strand (participates in β ladder)trans-133.8131.2177.7-178.70000108.3F315 G316 L329 L330 Y333 S385 N386F315-V412 CarbonylContact C-O 3.56Å; F315-V412 WeakPolarHBondContact CA-O 3.38Å; G316-V412 PolarHBondContact N-O 3.15Å; G316-V412 PolarHBondContact O-N 3.11Å; L329-V412 HydrophobicContact CB-CG2 4.29Å; L329-V412 HydrophobicContact CD2-CB 4.14Å; L329-V412 HydrophobicContact CD2-CG2 4.08Å; L329-V412 HydrophobicContact CG-CB 4.32Å; L329-V412 HydrophobicContact CG-CG2 4.33Å; L330-V412 HydrophobicContact CB-CG1 4.17Å; L330-V412 HydrophobicContact CD1-CG1 4.27Å; Y333-V412 HydrophobicContact CD2-CG1 3.83Å; Y333-V412 HydrophobicContact CE2-CG1 4.14Å; S385-V412 WeakPolarHBondContact O-CA 3.44Å; S385-V412 WeakPolarHBondContact O-CG1 3.38Å; N386-V412 HydrophobicContact CB-CG2 4.45Å
413N98.9Very high98.3Very high10 Ų1024.2 Ų24.25%0.05314%0.136CC..EExtended strand (participates in β ladder)trans-124.1151.1175.262.571000110.7E262 M314 F315 A384 S385E262-N413 HydrophobicContact CG-CB 4.13Å; E262-N413 PolarHBondContact OE1-ND2 2.73Å; E262-N413 VanDerWaalsContact OE1-ND2 3.1Å; M314-N413 CarbonylContact O-C 3.52Å; M314-N413 WeakPolarHBondContact O-CA 3.2Å; F315-N413 HydrophobicContact CD2-CB 4.09Å; A384-N413 CarbonylContact C-O 3.57Å; A384-N413 WeakPolarHBondContact CA-O 3.34Å; S385-N413 PolarHBondContact N-O 3.42Å; S385-N413 PolarHBondContact O-N 3.12Å
414A98.9Very high98.4Very high0 Ų018.2 Ų18.20%010%0.104CC..EExtended strand (participates in β ladder)trans-157.2140175.300000112.5M314 Y333 S383 A384 A416M314-A414 HydrophobicContact CB-CB 4.27Å; M314-A414 WeakPolarHBondContact CB-O 3.42Å; M314-A414 HydrophobicContact CE-CB 3.7Å; M314-A414 PolarHBondContact N-O 3.24Å; M314-A414 PolarHBondContact O-N 3.18Å; Y333-A414 HydrophobicContact CD2-CB 3.65Å; Y333-A414 HydrophobicContact CG-CB 4.16Å; S383-A414 CarbonylContact O-C 3.58Å; S383-A414 VanDerWaalsContact O-CA 3.31Å; S383-A414 WeakPolarHBondContact O-CA 3.49Å; A384-A414 HydrophobicContact CB-CB 3.6Å; A414-A416 PolarHBondContact O-N 2.89Å
415T98.8Very high98.5Very high9 Ų916.3 Ų16.36%0.0558%0.084CC..EExtended strand (participates in β ladder)trans-76.5114.7175.4-64.70000110.1K311 E313 Q337 S382 S383 A418K311-T415 HydrophobicContact CD-CG2 3.88Å; K311-T415 HydrophobicContact CG-CG2 4.07Å; K311-T415 PolarHBondContact NZ-OG1 3.15Å; E313-T415 WeakPolarHBondContact OE2-CA 3.47Å; Q337-T415 WeakPolarHBondContact CG-O 3.26Å; Q337-T415 PolarHBondContact NE2-O 2.69Å; S382-T415 VanDerWaalsContact CB-O 3.27Å; S382-T415 WeakPolarHBondContact CB-O 3.34Å; S383-T415 PolarHBondContact O-N 3.3Å; T415-A418 HydrophobicContact CG2-CB 3.93Å
416A98.4Very high98.5Very high1 Ų114.6 Ų14.61%0.0087%0.072CC..EExtended strand (participates in β ladder)trans-77-42.5172.500000111.7A207 L211 V312 M314 M340 A414A207-A416 HydrophobicContact CB-CB 4.42Å; L211-A416 HydrophobicContact CD1-CB 3.71Å; V312-A416 HydrophobicContact CB-CB 4.16Å; V312-A416 HydrophobicContact CG1-CB 4Å; V312-A416 WeakPolarHBondContact O-CB 3.38Å; V312-A416 PolarHBondContact O-N 3.2Å; M314-A416 HydrophobicContact CE-CB 4.3Å; M314-A416 HydrophobicContact CG-CB 4.18Å; M340-A416 HydrophobicContact CE-CB 3.69Å; M340-A416 HydrophobicContact SD-CB 4.32Å; A414-A416 PolarHBondContact O-N 2.89Å
417C97.4Very high98.6Very high3 Ų310.3 Ų10.32%0.025%0.05CC..EExtended strand (participates in β ladder)trans-157.2108.2-177.4-166.10000111.5A207 K311 V312A207-C417 HydrophobicContact CB-CB 3.92Å; K311-C417 CarbonylContact C-O 3.58Å; K311-C417 WeakPolarHBondContact CA-O 3.38Å; V312-C417 HydrophobicContact CB-CB 4.21Å; V312-C417 HydrophobicContact CG2-CB 4.39Å; V312-C417 PolarHBondContact N-O 3Å; V312-C417 PolarHBondContact O-N 2.76Å
418A97.7Very high98.6Very high15 Ų156.8 Ų6.812%0.1243%0.033CC..EExtended strand (participates in β ladder)trans-92.7100.9169.100000110.2T415 P420 R421 M422T415-A418 HydrophobicContact CG2-CB 3.93Å; A418-P420 VanDerWaalsContact C-CD 3.42Å; A418-R421 PolarHBondContact O-N 2.95Å; A418-M422 VanDerWaalsContact O-CG 3.31Å; A418-M422 WeakPolarHBondContact O-CG 3.5Å; A418-M422 PolarHBondContact O-N 2.97Å; A418-M422 VanDerWaalsContact O-N 3.16Å
419I98.6Very high98.6Very high0 Ų05.5 Ų5.50%03%0.03CC..Hα-helixtrans-52.3-45.2-165.7-59.4-62.7000114.7Q200 L203 Q204 N310 R421 M422 I423Q200-I419 HydrophobicContact CB-CG2 3.76Å; Q200-I419 HydrophobicContact CG-CG1 4.4Å; Q200-I419 HydrophobicContact CG-CG2 3.77Å; L203-I419 HydrophobicContact CB-CD1 3.47Å; L203-I419 VanDerWaalsContact CB-CD1 3.47Å; L203-I419 HydrophobicContact CD1-CD1 4.23Å; L203-I419 HydrophobicContact CG-CD1 4.49Å; Q204-I419 HydrophobicContact CG-CD1 3.73Å; Q204-I419 HydrophobicContact CG-CG1 4.11Å; N310-I419 HydrophobicContact CB-CG1 3.92Å; N310-I419 WeakPolarHBondContact O-CB 3.32Å; N310-I419 WeakPolarHBondContact O-CG1 3.44Å; N310-I419 PolarHBondContact O-N 2.88Å; N310-I419 VanDerWaalsContact O-N 3.11Å; I419-R421 PolarHBondContact O-N 3.32Å; I419-M422 PolarHBondContact O-N 2.77Å; I419-I423 HydrophobicContact CG2-CD1 3.67Å; I419-I423 HydrophobicContact CG2-CG1 4.17Å; I419-I423 WeakPolarHBondContact O-CG1 3.26Å; I419-I423 PolarHBondContact O-N 3.44Å
420P98.6Very high98.6Very high6 Ų66.3 Ų6.34%0.0393%0.033CC..Hα-helixtrans-59.3-50.6-174.8-23.132.8000112.7L303 V306 F309 A418 M422 I423 I424L303-P420 HydrophobicContact CB-CB 4Å; L303-P420 WeakPolarHBondContact O-CB 3.33Å; V306-P420 HydrophobicContact CG2-CB 4.27Å; V306-P420 HydrophobicContact CG2-CG 4Å; F309-P420 HydrophobicContact CB-CG 3.18Å; F309-P420 HydrophobicContact CD2-CG 4.29Å; F309-P420 HydrophobicContact CG-CG 3.89Å; A418-P420 VanDerWaalsContact C-CD 3.42Å; P420-M422 VanDerWaalsContact C-N 3.34Å; P420-I423 WeakPolarHBondContact O-CB 3.45Å; P420-I423 PolarHBondContact O-N 3.3Å; P420-I424 WeakPolarHBondContact O-CG1 3.5Å; P420-I424 PolarHBondContact O-N 2.89Å; P420-I424 VanDerWaalsContact O-N 3.14Å
421R98.5Very high98.6Very high39 Ų396.1 Ų6.115%0.1473%0.033CC..Hα-helixtrans-73.7-28.5-178.1-62.1-176-1731650.2111.8Y304 M372 E380 V381 A418 I419 I424 S425Y304-R421 HydrophobicContact CD2-CG 4.41Å; Y304-R421 PolarHBondContact O-NE 2.97Å; Y304-R421 PolarHBondContact O-NH2 3.3Å; M372-R421 HydrophobicContact CE-CB 4.1Å; E380-R421 WeakPolarHBondContact O-CD 3.38Å; E380-R421 PolarHBondContact O-NH1 3.34Å; E380-R421 IonicContact OE2-CZ 3.55Å; E380-R421 IonicContact OE2-NH1 3.76Å; E380-R421 PolarHBondContact OE2-NH1 3.39Å; V381-R421 HydrophobicContact CG1-CB 4.07Å; A418-R421 PolarHBondContact O-N 2.95Å; I419-R421 PolarHBondContact O-N 3.32Å; R421-I424 WeakPolarHBondContact O-CB 3.42Å; R421-I424 PolarHBondContact O-N 2.9Å; R421-S425 PolarHBondContact O-N 3.17Å; R421-S425 PolarHBondContact O-OG 3.43Å; R421-S425 VanDerWaalsContact O-OG 3.06Å
422M98.7Very high98.5Very high0 Ų08.1 Ų8.10%05%0.045CC..Hα-helixtrans-66.3-38.9170.5-65.3-52.2-63.800112.6L203 F341 L344 L346 V381 A418 I419 P420 I424 S425 I426L203-M422 HydrophobicContact CD1-CB 3.95Å; L203-M422 HydrophobicContact CD2-CB 4.36Å; F341-M422 HydrophobicContact CD1-CE 3.76Å; F341-M422 HydrophobicContact CD1-SD 4.19Å; F341-M422 HydrophobicContact CE1-CE 3.96Å; F341-M422 HydrophobicContact CE1-SD 3.89Å; L344-M422 HydrophobicContact CD1-CE 3.24Å; L346-M422 HydrophobicContact CD1-CE 3.58Å; L346-M422 HydrophobicContact CD1-SD 4.45Å; V381-M422 HydrophobicContact CB-SD 3.82Å; V381-M422 HydrophobicContact CG1-SD 3.98Å; V381-M422 HydrophobicContact CG2-SD 4.37Å; A418-M422 VanDerWaalsContact O-CG 3.31Å; A418-M422 WeakPolarHBondContact O-CG 3.5Å; A418-M422 PolarHBondContact O-N 2.97Å; A418-M422 VanDerWaalsContact O-N 3.16Å; I419-M422 PolarHBondContact O-N 2.77Å; P420-M422 VanDerWaalsContact C-N 3.34Å; M422-I424 VanDerWaalsContact C-N 3.33Å; M422-I424 PolarHBondContact O-N 2.85Å; M422-S425 PolarHBondContact O-N 2.98Å; M422-I426 WeakPolarHBondContact O-CB 3.44Å; M422-I426 WeakPolarHBondContact O-CG1 3.4Å; M422-I426 PolarHBondContact O-N 2.94Å
423I98.8Very high98.4Very high3 Ų313.8 Ų13.82%0.0157%0.069CC..Hα-helixtrans-61.6-42.7171.8-70.2172.2000110.2I176 L192 L199 L203 L303 I419 P420 I426 L427I176-I423 HydrophobicContact CD1-CG2 4.28Å; L192-I423 HydrophobicContact CD1-CD1 3.55Å; L192-I423 HydrophobicContact CD2-CD1 4.16Å; L199-I423 HydrophobicContact CD2-CG1 4Å; L199-I423 HydrophobicContact CD2-CG2 4.4Å; L199-I423 HydrophobicContact CG-CG1 4.25Å; L203-I423 HydrophobicContact CD1-CG1 4.17Å; L303-I423 HydrophobicContact CD1-CB 4.31Å; L303-I423 HydrophobicContact CD1-CG2 3.95Å; I419-I423 HydrophobicContact CG2-CD1 3.67Å; I419-I423 HydrophobicContact CG2-CG1 4.17Å; I419-I423 WeakPolarHBondContact O-CG1 3.26Å; I419-I423 PolarHBondContact O-N 3.44Å; P420-I423 WeakPolarHBondContact O-CB 3.45Å; P420-I423 PolarHBondContact O-N 3.3Å; I423-I426 PolarHBondContact O-N 3.36Å; I423-L427 HydrophobicContact CG2-CD1 3.62Å; I423-L427 HydrophobicContact CG2-CG 4.03Å; I423-L427 WeakPolarHBondContact O-CB 3.31Å; I423-L427 WeakPolarHBondContact O-CG 3.48Å; I423-L427 PolarHBondContact O-N 3.09Å
424I98.8Very high98.2Very high1 Ų120 Ų201%0.00510%0.102CC..Hα-helixtrans-57-55.1175-59.3174.9000110.4H166 L303 Y304 M372 P420 R421 M422 I426 L427 E428H166-I424 HydrophobicContact CB-CB 4.39Å; H166-I424 HydrophobicContact CB-CG1 4.29Å; H166-I424 HydrophobicContact CB-CG2 4.17Å; L303-I424 HydrophobicContact CB-CD1 4.06Å; L303-I424 HydrophobicContact CB-CG1 4.08Å; Y304-I424 HydrophobicContact CD2-CD1 4.11Å; Y304-I424 HydrophobicContact CG-CD1 4.45Å; M372-I424 HydrophobicContact CB-CG2 4.22Å; M372-I424 HydrophobicContact CE-CB 4.48Å; M372-I424 HydrophobicContact CE-CG2 4.39Å; M372-I424 HydrophobicContact CG-CG2 3.89Å; M372-I424 HydrophobicContact SD-CB 4.19Å; M372-I424 HydrophobicContact SD-CG2 3.5Å; M372-I424 VanDerWaalsContact SD-CG2 3.5Å; P420-I424 WeakPolarHBondContact O-CG1 3.5Å; P420-I424 PolarHBondContact O-N 2.89Å; P420-I424 VanDerWaalsContact O-N 3.14Å; R421-I424 WeakPolarHBondContact O-CB 3.42Å; R421-I424 PolarHBondContact O-N 2.9Å; M422-I424 VanDerWaalsContact C-N 3.33Å; M422-I424 PolarHBondContact O-N 2.85Å; I424-I426 VanDerWaalsContact C-N 3.31Å; I424-I426 PolarHBondContact O-N 3.46Å; I424-L427 PolarHBondContact O-N 3.13Å; I424-E428 HydrophobicContact CG2-CG 4.27Å; I424-E428 WeakPolarHBondContact O-CB 3.23Å; I424-E428 WeakPolarHBondContact O-CG 3.49Å; I424-E428 PolarHBondContact O-N 3.35Å
425S98.6Very high97.9Very high0 Ų026.4 Ų26.40%013%0.127CC..Hα-helixtrans-58.5-41.7-176.9-59.40000112.1A370 R421 M422 T429A370-S425 WeakPolarHBondContact CB-OG 3.35Å; R421-S425 PolarHBondContact O-N 3.17Å; R421-S425 PolarHBondContact O-OG 3.43Å; R421-S425 VanDerWaalsContact O-OG 3.06Å; M422-S425 PolarHBondContact O-N 2.98Å; S425-T429 WeakPolarHBondContact O-CB 3.45Å; S425-T429 PolarHBondContact O-N 2.97Å; S425-T429 PolarHBondContact O-OG1 3.43Å
426I98.6Very high97.9Very high1 Ų127.2 Ų27.21%0.00513%0.132CC..Hα-helixtrans-69.1-49.5178.8-72167.8000111.6L199 L203 L344 M422 I423 I424 E428 H430 L443L199-I426 HydrophobicContact CD1-CD1 4.2Å; L199-I426 HydrophobicContact CD2-CG2 4.35Å; L203-I426 HydrophobicContact CD1-CD1 4.14Å; L203-I426 HydrophobicContact CD2-CD1 3.78Å; L203-I426 HydrophobicContact CG-CD1 4.31Å; L344-I426 HydrophobicContact CD2-CD1 4.5Å; M422-I426 WeakPolarHBondContact O-CB 3.44Å; M422-I426 WeakPolarHBondContact O-CG1 3.4Å; M422-I426 PolarHBondContact O-N 2.94Å; I423-I426 PolarHBondContact O-N 3.36Å; I424-I426 VanDerWaalsContact C-N 3.31Å; I424-I426 PolarHBondContact O-N 3.46Å; I426-E428 VanDerWaalsContact C-N 3.34Å; I426-E428 PolarHBondContact O-N 2.84Å; I426-H430 WeakPolarHBondContact O-CB 3.35Å; I426-H430 PolarHBondContact O-CD2 2.94Å; I426-H430 PolarHBondContact O-N 3.35Å; I426-L443 HydrophobicContact CD1-CD1 3.6Å
427L98.7Very high97.9Very high0 Ų027.1 Ų27.10%013%0.131CC..Hα-helixtrans-62.2-43.5-177.9-68.2-179.9000111.3H166 L169 L175 I176 I423 I424 Q431 V437H166-L427 HydrophobicContact CB-CB 4.37Å; H166-L427 HydrophobicContact CB-CD1 4.2Å; L169-L427 HydrophobicContact CD1-CB 4.45Å; L169-L427 WeakPolarHBondContact CD1-O 3.38Å; L175-L427 HydrophobicContact CD1-CD1 4.39Å; L175-L427 HydrophobicContact CD1-CD2 3.66Å; I176-L427 HydrophobicContact CD1-CD1 3.99Å; I423-L427 HydrophobicContact CG2-CD1 3.62Å; I423-L427 HydrophobicContact CG2-CG 4.03Å; I423-L427 WeakPolarHBondContact O-CB 3.31Å; I423-L427 WeakPolarHBondContact O-CG 3.48Å; I423-L427 PolarHBondContact O-N 3.09Å; I424-L427 PolarHBondContact O-N 3.13Å; L427-Q431 WeakPolarHBondContact O-CB 3.31Å; L427-Q431 PolarHBondContact O-N 3.41Å; L427-V437 HydrophobicContact CD2-CB 4.39Å; L427-V437 HydrophobicContact CD2-CG1 4.22Å; L427-V437 HydrophobicContact CD2-CG2 3.92Å
428E98.7Very high97.9Very high1 Ų130.6 Ų30.61%0.00514%0.144CC..Hα-helixtrans-78.9-33.4-175.4-64.3-173.2-173.400112.8G165 H166 M372 P373 G374 R375 I424 I426 Q431G165-E428 WeakPolarHBondContact CA-OE1 3.26Å; H166-E428 HydrophobicContact CB-CG 4.03Å; H166-E428 IonicContact CG-OE1 3.53Å; H166-E428 PolarHBondContact N-OE1 3.2Å; H166-E428 IonicContact ND1-OE1 2.73Å; H166-E428 PolarHBondContact ND1-OE1 3.4Å; M372-E428 WeakPolarHBondContact CB-OE2 3.3Å; P373-E428 HydrophobicContact CB-CB 4.42Å; P373-E428 HydrophobicContact CG-CB 4.38Å; G374-E428 WeakPolarHBondContact CA-OE2 3.27Å; G374-E428 PolarHBondContact N-OE2 2.88Å; R375-E428 PolarHBondContact N-OE2 2.97Å; I424-E428 HydrophobicContact CG2-CG 4.27Å; I424-E428 WeakPolarHBondContact O-CB 3.23Å; I424-E428 WeakPolarHBondContact O-CG 3.49Å; I424-E428 PolarHBondContact O-N 3.35Å; I426-E428 VanDerWaalsContact C-N 3.34Å; I426-E428 PolarHBondContact O-N 2.84Å; E428-Q431 WeakPolarHBondContact O-CG 3.19Å; E428-Q431 PolarHBondContact O-NE2 3.25Å
429T98.6Very high98Very high16 Ų1630 Ų3010%0.09814%0.138CC..Hα-helixtrans-74.8-39.8179.1-580000112.2A157 S425A157-T429 HydrophobicContact CB-CG2 4.28Å; S425-T429 WeakPolarHBondContact O-CB 3.45Å; S425-T429 PolarHBondContact O-N 2.97Å; S425-T429 PolarHBondContact O-OG1 3.43Å
430H98.6Very high98Very high16 Ų1630 Ų307%0.07414%0.138CC..SBendtrans-103.715.8-170-58.1-59.7000113.8L344 I426 V437 R438L344-H430 PolarHBondContact O-NE2 3.09Å; L344-H430 VanDerWaalsContact O-NE2 3.1Å; I426-H430 WeakPolarHBondContact O-CB 3.35Å; I426-H430 PolarHBondContact O-CD2 2.94Å; I426-H430 PolarHBondContact O-N 3.35Å; H430-V437 HydrophobicContact CB-CG1 3.96Å; H430-V437 CarbonylContact O-C 3.55Å; H430-V437 WeakPolarHBondContact O-CA 3.49Å; H430-R438 HydrophobicContact CB-CB 4.34Å; H430-R438 WeakPolarHBondContact CB-O 3.42Å; H430-R438 PolarHBondContact CE1-NH2 3.47Å; H430-R438 PolarHBondContact ND1-NH2 3.3Å; H430-R438 PolarHBondContact O-N 3.21Å
431Q98.5Very high97.9Very high8 Ų835.5 Ų35.54%0.03716%0.164CC..BIsolated β-bridgetrans-68.4147.2176.866.3-175.5-66.700112.6F159 F161 R164 L169 L427 E428 T436F159-Q431 HydrophobicContact CD1-CG 4.36Å; F159-Q431 HydrophobicContact CE1-CG 3.63Å; F159-Q431 HydrophobicContact CZ-CG 4.14Å; F161-Q431 HydrophobicContact CE2-CG 4.06Å; F161-Q431 HydrophobicContact CZ-CG 4.04Å; R164-Q431 PolarHBondContact O-NE2 3.11Å; L169-Q431 HydrophobicContact CD1-CB 3.96Å; L169-Q431 HydrophobicContact CD2-CB 4.39Å; L427-Q431 WeakPolarHBondContact O-CB 3.31Å; L427-Q431 PolarHBondContact O-N 3.41Å; E428-Q431 WeakPolarHBondContact O-CG 3.19Å; E428-Q431 PolarHBondContact O-NE2 3.25Å; Q431-T436 WeakPolarHBondContact CA-O 3.5Å
432T97.6Very high97.9Very high41 Ų4135 Ų3525%0.25217%0.168SC..  trans-110166.2174.473.50000111.3F161 D434 R435 T436F161-T432 VanDerWaalsContact CZ-C 3.41Å; T432-D434 PolarHBondContact O-N 3.15Å; T432-D434 PolarHBondContact OG1-N 3.33Å; T432-R435 PolarHBondContact O-N 3.38Å; T432-R435 VanDerWaalsContact O-N 3.14Å; T432-T436 WeakPolarHBondContact CG2-OG1 3.34Å; T432-T436 PolarHBondContact N-O 2.94Å; T432-T436 PolarHBondContact OG1-N 3.32Å; T432-T436 PolarHBondContact OG1-O 3.05Å; T432-T436 PolarHBondContact OG1-OG1 3.37Å
433K96.1Very high97.9Very high119 Ų11935 Ų3552%0.51717%0.168SC..THydrogen-bonded Turntrans-58.5-34.9174.8-168.2171.8-169.8160.20112.2D160 F161 R435D160-K433 IonicContact OD2-NZ 3.34Å; D160-K433 PolarHBondContact OD2-NZ 3.04Å; F161-K433 HydrophobicContact CD1-CB 3.86Å; F161-K433 HydrophobicContact CD1-CG 4.17Å; F161-K433 HydrophobicContact CE1-CB 3.98Å; F161-K433 HydrophobicContact CG-CG 4.48Å; K433-R435 PolarHBondContact O-N 2.98Å
434D94.8Very high97.9Very high140 Ų14036.4 Ų36.475%0.74917%0.174SC*.THydrogen-bonded Turntrans-79.410-179.3-59.1-41.1000113.9T432 T436T432-D434 PolarHBondContact O-N 3.15Å; T432-D434 PolarHBondContact OG1-N 3.33Å; D434-T436 VanDerWaalsContact C-N 3.25Å; D434-T436 PolarHBondContact O-N 2.93Å
435R93.4Very high97.9Very high135 Ų13541.4 Ų41.451%0.50921%0.207SC..SBendtrans63.429.9179.2-49.6-178.7-178.8-168.3-0.2113.3L173 T432 K433L173-R435 WeakPolarHBondContact CD2-O 3.49Å; T432-R435 PolarHBondContact O-N 3.38Å; T432-R435 VanDerWaalsContact O-N 3.14Å; K433-R435 PolarHBondContact O-N 2.98Å
436T97.8Very high97.9Very high26 Ų2644.4 Ų44.416%0.1622%0.219CC..  trans-100.6168.2166.366.50000109.7Q431 T432 D434 V451 I452 E453Q431-T436 WeakPolarHBondContact CA-O 3.5Å; T432-T436 WeakPolarHBondContact CG2-OG1 3.34Å; T432-T436 PolarHBondContact N-O 2.94Å; T432-T436 PolarHBondContact OG1-N 3.32Å; T432-T436 PolarHBondContact OG1-O 3.05Å; T432-T436 PolarHBondContact OG1-OG1 3.37Å; D434-T436 VanDerWaalsContact C-N 3.25Å; D434-T436 PolarHBondContact O-N 2.93Å; T436-V451 HydrophobicContact CG2-CG1 4.26Å; T436-I452 WeakPolarHBondContact CA-O 3.41Å; T436-I452 WeakPolarHBondContact CB-O 3.23Å; T436-E453 HydrophobicContact CG2-CB 4.41Å; T436-E453 HydrophobicContact CG2-CG 3.99Å
437V98.5Very high97.7Very high0 Ų044.3 Ų44.30%022%0.218CC..EExtended strand (participates in β ladder)trans-126121.1174.2175.60000108.9L173 L427 H430 V451 I452L173-V437 HydrophobicContact CD1-CG2 3.84Å; L427-V437 HydrophobicContact CD2-CB 4.39Å; L427-V437 HydrophobicContact CD2-CG1 4.22Å; L427-V437 HydrophobicContact CD2-CG2 3.92Å; H430-V437 HydrophobicContact CB-CG1 3.96Å; H430-V437 CarbonylContact O-C 3.55Å; H430-V437 WeakPolarHBondContact O-CA 3.49Å; V437-V451 CarbonylContact O-C 3.59Å; V437-V451 WeakPolarHBondContact O-CA 3.3Å; V437-I452 HydrophobicContact CB-CB 4.28Å; V437-I452 PolarHBondContact N-O 2.93Å; V437-I452 PolarHBondContact O-N 3.33Å
438R98.4Very high97.6Very high76 Ų7647.2 Ų47.229%0.28725%0.248SC..EExtended strand (participates in β ladder)trans-68.3137.1172.5-173.5-161.863.799.58.1109.4E345 H430E345-R438 IonicContact OE1-CZ 2.96Å; E345-R438 IonicContact OE1-NH1 2.62Å; E345-R438 PolarHBondContact OE1-NH1 2.94Å; E345-R438 IonicContact OE1-NH2 3.25Å; E345-R438 PolarHBondContact OE1-NH2 2.79Å; E345-R438 IonicContact OE2-CZ 2.82Å; E345-R438 VanDerWaalsContact OE2-CZ 3.25Å; E345-R438 IonicContact OE2-NH1 3.59Å; E345-R438 PolarHBondContact OE2-NH1 3.12Å; E345-R438 IonicContact OE2-NH2 3.63Å; E345-R438 PolarHBondContact OE2-NH2 2.94Å; H430-R438 HydrophobicContact CB-CB 4.34Å; H430-R438 WeakPolarHBondContact CB-O 3.42Å; H430-R438 PolarHBondContact CE1-NH2 3.47Å; H430-R438 PolarHBondContact ND1-NH2 3.3Å; H430-R438 PolarHBondContact O-N 3.21Å
439V98.6Very high97.5Very high1 Ų149.2 Ų49.21%0.00626%0.259CS..PPolyproline II helixtrans-85.1126.1175.1-177.80000109L443 Q444 L447 L449 E450 I452V439-L443 HydrophobicContact CG1-CB 3.79Å; V439-Q444 HydrophobicContact CB-CG 4.09Å; V439-Q444 HydrophobicContact CG1-CG 3.91Å; V439-Q444 PolarHBondContact O-NE2 3.41Å; V439-Q444 VanDerWaalsContact O-NE2 3.1Å; V439-L447 HydrophobicContact CG1-CB 4.4Å; V439-L447 HydrophobicContact CG1-CD1 4.09Å; V439-L447 HydrophobicContact CG1-CD2 4.33Å; V439-L447 HydrophobicContact CG2-CD2 4.19Å; V439-L449 WeakPolarHBondContact CB-O 3.37Å; V439-L449 HydrophobicContact CG2-CD1 3.81Å; V439-L449 WeakPolarHBondContact CG2-O 3.38Å; V439-E450 PolarHBondContact N-O 3.14Å; V439-I452 HydrophobicContact CG2-CD1 4.31Å; V439-I452 HydrophobicContact CG2-CG1 3.88Å
440P98.4Very high97.5Very high0 Ų055 Ų550%028%0.284CS..PPolyproline II helixtrans-52143.9173.8-26.634.1000111.9L344 A442 L443 Q444L344-P440 HydrophobicContact CD2-CB 4.4Å; P440-A442 PolarHBondContact O-N 3.46Å; P440-A442 VanDerWaalsContact O-N 3.15Å; P440-L443 HydrophobicContact CG-CD1 4.34Å; P440-L443 PolarHBondContact O-N 3.15Å; P440-Q444 PolarHBondContact O-N 3.25Å
441Q98.4Very high97.5Very high123 Ų12356.8 Ų56.858%0.57530%0.297SS*.G310 helixtrans-55.6-40.3-173.5-168.665.526.900112.3E345 L443 Q444 P445E345-Q441 PolarHBondContact OE1-N 3.31Å; Q441-L443 PolarHBondContact O-N 3.36Å; Q441-Q444 PolarHBondContact O-N 3.06Å; Q441-Q444 VanDerWaalsContact OE1-NE2 3.1Å; Q441-P445 WeakPolarHBondContact O-CD 3.33Å
442A98.4Very high97.4Very high28 Ų2856.6 Ų56.623%0.23130%0.296CS..G310 helixtrans-63.2-24.1179.300000113.9F206 A343 P440 Y446F206-A442 HydrophobicContact CD2-CB 4.43Å; F206-A442 HydrophobicContact CE2-CB 3.86Å; F206-A442 HydrophobicContact CZ-CB 4.28Å; A343-A442 HydrophobicContact CB-CB 4.06Å; A343-A442 WeakPolarHBondContact O-CB 3.48Å; P440-A442 PolarHBondContact O-N 3.46Å; P440-A442 VanDerWaalsContact O-N 3.15Å; A442-Y446 WeakPolarHBondContact O-CD2 3.5Å; A442-Y446 WeakPolarHBondContact O-CE2 3.36Å
443L98.6Very high97.4Very high0 Ų060.8 Ų60.80%031%0.313CS..G310 helixtrans-95.5-17.9-178.9-73.9-177.9000113.9L199 A202 L203 F206 L344 I426 V439 P440 Q441 P445 Y446 L447L199-L443 HydrophobicContact CD1-CD1 3.93Å; A202-L443 HydrophobicContact CB-CD2 4.49Å; L203-L443 HydrophobicContact CD2-CD1 3.99Å; L203-L443 HydrophobicContact CD2-CD2 4.18Å; L203-L443 HydrophobicContact CG-CD1 4.35Å; L203-L443 HydrophobicContact CG-CD2 4.49Å; F206-L443 HydrophobicContact CB-CD2 3.76Å; F206-L443 HydrophobicContact CD1-CD2 4.3Å; F206-L443 HydrophobicContact CG-CD2 3.99Å; L344-L443 HydrophobicContact CD2-CD1 3.49Å; L344-L443 VanDerWaalsContact CD2-CD1 3.49Å; L344-L443 HydrophobicContact CD2-CD2 3.98Å; L344-L443 HydrophobicContact CD2-CG 3.43Å; L344-L443 VanDerWaalsContact CD2-CG 3.43Å; I426-L443 HydrophobicContact CD1-CD1 3.6Å; V439-L443 HydrophobicContact CG1-CB 3.79Å; P440-L443 HydrophobicContact CG-CD1 4.34Å; P440-L443 PolarHBondContact O-N 3.15Å; Q441-L443 PolarHBondContact O-N 3.36Å; L443-P445 VanDerWaalsContact C-CD 3.48Å; L443-Y446 PolarHBondContact O-N 2.89Å; L443-L447 HydrophobicContact CB-CD1 3.7Å; L443-L447 HydrophobicContact CD1-CD1 4.38Å; L443-L447 HydrophobicContact CG-CD1 4.44Å; L443-L447 WeakPolarHBondContact O-CD1 3.45Å; L443-L447 PolarHBondContact O-N 3.3Å
444Q98.4Very high97.3Very high32 Ų3264.3 Ų64.315%0.1532%0.323CS..Hα-helixtrans-57.2-39.5-178.4-67.5174.314.800113.8V439 P440 Q441 Y446 L447 G448V439-Q444 HydrophobicContact CB-CG 4.09Å; V439-Q444 HydrophobicContact CG1-CG 3.91Å; V439-Q444 PolarHBondContact O-NE2 3.41Å; V439-Q444 VanDerWaalsContact O-NE2 3.1Å; P440-Q444 PolarHBondContact O-N 3.25Å; Q441-Q444 PolarHBondContact O-N 3.06Å; Q441-Q444 VanDerWaalsContact OE1-NE2 3.1Å; Q444-Y446 PolarHBondContact O-N 2.84Å; Q444-L447 PolarHBondContact O-N 3.11Å; Q444-G448 WeakPolarHBondContact O-CA 3.43Å; Q444-G448 PolarHBondContact O-N 2.92Å
445P98.2Very high97.2Very high107 Ų10759.3 Ų59.370%0.69530%0.298SS*.Hα-helixtrans-61.1-29.7175.8-25.235.9000113.7Q441 L443Q441-P445 WeakPolarHBondContact O-CD 3.33Å; L443-P445 VanDerWaalsContact C-CD 3.48Å
446Y98Very high97.1Very high62 Ų6263.4 Ų63.424%0.24332%0.319CS..Hα-helixtrans-89.2-38.8-178.4-55.9-89.2000112.3N205 F206 D209 A442 L443 Q444N205-Y446 HydrophobicContact CB-CD1 3.67Å; N205-Y446 HydrophobicContact CB-CE1 3.9Å; F206-Y446 HydrophobicContact CB-CD2 4.18Å; F206-Y446 HydrophobicContact CB-CE2 3.9Å; F206-Y446 AromaticContact CD2-CE2 3.91Å; F206-Y446 HydrophobicContact CD2-CE2 3.91Å; F206-Y446 HydrophobicContact CG-CE2 4.4Å; D209-Y446 WeakPolarHBondContact CB-OH 3.5Å; D209-Y446 VanDerWaalsContact OD2-CE1 3.3Å; D209-Y446 WeakPolarHBondContact OD2-CE1 3.4Å; D209-Y446 PolarHBondContact OD2-OH 3.4Å; A442-Y446 WeakPolarHBondContact O-CD2 3.5Å; A442-Y446 WeakPolarHBondContact O-CE2 3.36Å; L443-Y446 PolarHBondContact O-N 2.89Å; Q444-Y446 PolarHBondContact O-N 2.84Å
447L95.9Very high96.7Very high0 Ų065.9 Ų65.90%033%0.326CS..Hα-helixtrans-82.3-22.2176.5-8495.8000113.1R198 L199 A202 V439 L443 Q444 L449 I452R198-L447 PolarHBondContact NH1-O 3.15Å; R198-L447 PolarHBondContact NH2-O 2.91Å; L199-L447 HydrophobicContact CB-CD2 4.22Å; L199-L447 HydrophobicContact CD1-CD1 3.96Å; L199-L447 HydrophobicContact CD1-CD2 4.11Å; A202-L447 HydrophobicContact CB-CD1 3.19Å; A202-L447 HydrophobicContact CB-CG 3.81Å; V439-L447 HydrophobicContact CG1-CB 4.4Å; V439-L447 HydrophobicContact CG1-CD1 4.09Å; V439-L447 HydrophobicContact CG1-CD2 4.33Å; V439-L447 HydrophobicContact CG2-CD2 4.19Å; L443-L447 HydrophobicContact CB-CD1 3.7Å; L443-L447 HydrophobicContact CD1-CD1 4.38Å; L443-L447 HydrophobicContact CG-CD1 4.44Å; L443-L447 WeakPolarHBondContact O-CD1 3.45Å; L443-L447 PolarHBondContact O-N 3.3Å; Q444-L447 PolarHBondContact O-N 3.11Å; L447-L449 HydrophobicContact CB-CD2 4.45Å; L447-L449 HydrophobicContact CB-CG 4.04Å; L447-L449 HydrophobicContact CD2-CD1 4.17Å; L447-L449 WeakPolarHBondContact O-CD2 3.34Å; L447-L449 PolarHBondContact O-N 3.15Å; L447-I452 HydrophobicContact CD2-CD1 4.35Å
448G96.1Very high96.3Very high61 Ų6169.8 Ų69.863%0.62936%0.358SS*.SBendtrans59.830.4-17600000114.2Q444Q444-G448 WeakPolarHBondContact O-CA 3.43Å; Q444-G448 PolarHBondContact O-N 2.92Å
449L96.4Very high95.9Very high42 Ų4271 Ų7122%0.2238%0.376CS..  trans-156146.8176.745.5118.7000110.7V439 L447 V451 I452V439-L449 WeakPolarHBondContact CB-O 3.37Å; V439-L449 HydrophobicContact CG2-CD1 3.81Å; V439-L449 WeakPolarHBondContact CG2-O 3.38Å; L447-L449 HydrophobicContact CB-CD2 4.45Å; L447-L449 HydrophobicContact CB-CG 4.04Å; L447-L449 HydrophobicContact CD2-CD1 4.17Å; L447-L449 WeakPolarHBondContact O-CD2 3.34Å; L447-L449 PolarHBondContact O-N 3.15Å; L449-V451 WeakPolarHBondContact CD1-O 3.32Å; L449-I452 HydrophobicContact CD1-CG1 3.71Å
450E98Very high95.6Very high137 Ų13777.1 Ų77.164%0.6441%0.408SS*.SBendtrans-89-25.5179.3-62.6178.6-174.800112.6V439V439-E450 PolarHBondContact N-O 3.14Å
451V98.2Very high95.3Very high54 Ų5484.7 Ų84.733%0.32744%0.441SS..EExtended strand (participates in β ladder)trans-140.2135.5-176.8-1770000110T436 V437 L449 E453T436-V451 HydrophobicContact CG2-CG1 4.26Å; V437-V451 CarbonylContact O-C 3.59Å; V437-V451 WeakPolarHBondContact O-CA 3.3Å; L449-V451 WeakPolarHBondContact CD1-O 3.32Å; V451-E453 HydrophobicContact CB-CG 4.39Å; V451-E453 HydrophobicContact CG1-CG 3.8Å
452I98.3Very high95Very high4 Ų482.6 Ų82.62%0.02143%0.429CS..EExtended strand (participates in β ladder)trans-89.9116.3168.8-58.2171.3000108.2L173 L175 A195 T436 V437 V439 L447 L449L173-I452 HydrophobicContact CD1-CG2 4.23Å; L175-I452 HydrophobicContact CD1-CG2 4.05Å; L175-I452 HydrophobicContact CD2-CG2 3.81Å; A195-I452 HydrophobicContact CB-CG1 4.28Å; A195-I452 HydrophobicContact CB-CG2 3.78Å; T436-I452 WeakPolarHBondContact CA-O 3.41Å; T436-I452 WeakPolarHBondContact CB-O 3.23Å; V437-I452 HydrophobicContact CB-CB 4.28Å; V437-I452 PolarHBondContact N-O 2.93Å; V437-I452 PolarHBondContact O-N 3.33Å; V439-I452 HydrophobicContact CG2-CD1 4.31Å; V439-I452 HydrophobicContact CG2-CG1 3.88Å; L447-I452 HydrophobicContact CD2-CD1 4.35Å; L449-I452 HydrophobicContact CD1-CG1 3.71Å
453E96.6Very high94.7Very high130 Ų13087.3 Ų87.361%0.60745%0.449SS*.  trans-117174.2-177.8-57.1-174.1147.900111.9L173 T436 V451L173-E453 VanDerWaalsContact CD2-C 3.45Å; T436-E453 HydrophobicContact CG2-CB 4.41Å; T436-E453 HydrophobicContact CG2-CG 3.99Å; V451-E453 HydrophobicContact CB-CG 4.39Å; V451-E453 HydrophobicContact CG1-CG 3.8Å
454R94.7Very high94.3Very high193 Ų19388 Ų8873%0.72846%0.456SS*.  trans-58.7133.2177.1-166.3178.2-168.6-174.71.8110.5
455P92Very high94Very high35 Ų3590 Ų9023%0.22747%0.472CS..  trans-68.4149-178.225.7-33.8000111.8L173 Y457L173-P455 VanDerWaalsContact O-CD 3.25Å; L173-P455 WeakPolarHBondContact O-CD 3.27Å; P455-Y457 VanDerWaalsContact C-N 3.28Å; P455-Y457 HydrophobicContact CB-CD1 3.7Å; P455-Y457 HydrophobicContact CB-CD2 4.05Å; P455-Y457 HydrophobicContact CB-CE1 3.3Å; P455-Y457 HydrophobicContact CB-CE2 3.69Å; P455-Y457 HydrophobicContact CB-CG 4.05Å; P455-Y457 HydrophobicContact CG-CD2 4.28Å; P455-Y457 HydrophobicContact CG-CE1 4.23Å; P455-Y457 HydrophobicContact CG-CE2 3.73Å; P455-Y457 PolarHBondContact O-N 2.88Å
456K91.1Very high93.6Very high220 Ų22091.1 Ų91.196%0.95747%0.472SS*.SBendtrans-73-18.2174.7-63.3-176.3-179.8179.50113.5
457Y89.9Confident93.3Very high78 Ų7891.1 Ų91.131%0.30647%0.474SS..SBendtrans-82.9146.7178.855.3-103000111.7G174 R193 P455G174-Y457 PolarHBondContact O-OH 3.2Å; R193-Y457 VanDerWaalsContact NH2-CD2 3.27Å; P455-Y457 VanDerWaalsContact C-N 3.28Å; P455-Y457 HydrophobicContact CB-CD1 3.7Å; P455-Y457 HydrophobicContact CB-CD2 4.05Å; P455-Y457 HydrophobicContact CB-CE1 3.3Å; P455-Y457 HydrophobicContact CB-CE2 3.69Å; P455-Y457 HydrophobicContact CB-CG 4.05Å; P455-Y457 HydrophobicContact CG-CD2 4.28Å; P455-Y457 HydrophobicContact CG-CE1 4.23Å; P455-Y457 HydrophobicContact CG-CE2 3.73Å; P455-Y457 PolarHBondContact O-N 2.88Å
458A89.6Confident92.7Very high82 Ų82100.9 Ų100.968%0.67852%0.52SS*.PPolyproline II helixtrans-66.2138.3175.600000111.3
459P90.1Very high92Very high102 Ų102102.7 Ų102.766%0.66252%0.523SS*.PPolyproline II helixtrans-58.4150.4170.2-2434.2000111.8K461P459-K461 PolarHBondContact O-N 3.12Å
460L92.6Very high90.9Very high130 Ų130106.9 Ų106.968%0.68154%0.535SS*.PPolyproline II helixtrans-64.4135174.6-66.5174.6000110.1
461K91.9Very high89.4Confident159 Ų159102.4 Ų102.469%0.69152%0.518SS*.PPolyproline II helixtrans-96.6124.6172.1-174.5175.4-179.5177.40109.5P459 I463P459-K461 PolarHBondContact O-N 3.12Å; K461-I463 HydrophobicContact CG-CG2 4.47Å; K461-I463 PolarHBondContact O-N 2.97Å
462Y92.6Very high87.9Confident78 Ų78105.7 Ų105.731%0.30654%0.541SS..PPolyproline II helixtrans-70.7122172.7-178.6-108.4000110.2G464 Q467Y462-G464 VanDerWaalsContact CZ-CA 3.45Å; Y462-Q467 HydrophobicContact CD1-CB 4.31Å; Y462-Q467 HydrophobicContact CE1-CB 4.33Å; Y462-Q467 PolarHBondContact O-NE2 2.88Å; Y462-Q467 PolarHBondContact O-OE1 3.15Å
463I92.3Very high86.3Confident127 Ų127114.5 Ų114.565%0.65157%0.574SS**  trans-115.610-179.961.6169000112.6K461K461-I463 HydrophobicContact CG-CG2 4.47Å; K461-I463 PolarHBondContact O-N 2.97Å
464G90.1Very high84.8Confident16 Ų16114 Ų11417%0.16558%0.582CS.*SBendtrans-69.3166.7177.900000112.3Y462 N466 Q467Y462-G464 VanDerWaalsContact CZ-CA 3.45Å; G464-N466 VanDerWaalsContact C-N 3.27Å; G464-N466 PolarHBondContact O-N 3.07Å; G464-Q467 PolarHBondContact O-NE2 3.28Å
465P90.6Very high83.5Confident74 Ų74107.2 Ų107.248%0.48157%0.572SS.*SBendtrans-71.4-20.5-176.229.4-34.9000113.4Q467P465-Q467 PolarHBondContact O-N 2.72Å
466N91.7Very high82.4Confident130 Ų130111.9 Ų111.970%0.69560%0.602SS**  trans-8659.9-173.9-57.9-18000111.2G464G464-N466 VanDerWaalsContact C-N 3.27Å; G464-N466 PolarHBondContact O-N 3.07Å
467Q89.8Confident81.2Confident61 Ų61108.3 Ų108.329%0.28559%0.594SS.*SBendtrans-144.2148.9175.263.6-174.6-46.500109.9Y462 G464 P465 S469Y462-Q467 HydrophobicContact CD1-CB 4.31Å; Y462-Q467 HydrophobicContact CE1-CB 4.33Å; Y462-Q467 PolarHBondContact O-NE2 2.88Å; Y462-Q467 PolarHBondContact O-OE1 3.15Å; G464-Q467 PolarHBondContact O-NE2 3.28Å; P465-Q467 PolarHBondContact O-N 2.72Å; Q467-S469 PolarHBondContact O-N 2.79Å; Q467-S469 PolarHBondContact OE1-O 2.85Å
468H84.5Confident79.3Confident206 Ų206109.8 Ų109.895%0.95462%0.622SS**SBendtrans-56.7-35.1-176.7-69.7-71.1000113.6
469S81.6Confident77.3Confident99 Ų99120.7 Ų120.769%0.69265%0.646SS**SBendtrans-125.9100.6-179-54.30000109.8Q467 P471Q467-S469 PolarHBondContact O-N 2.79Å; Q467-S469 PolarHBondContact OE1-O 2.85Å; S469-P471 VanDerWaalsContact O-CD 3.26Å; S469-P471 WeakPolarHBondContact O-CD 2.83Å
470R72.8Confident76.7Confident129 Ų129121.7 Ų121.749%0.48765%0.645SS.*  trans-80.1114.8179.2-175.1175.1178.7-178.9-3.9109.9
471P66.9Low75.9Confident44 Ų44121.2 Ų121.229%0.28664%0.643SS.*PPolyproline II helixtrans-63.6142.6170.424.1-28.2000109.5S469 R473S469-P471 VanDerWaalsContact O-CD 3.26Å; S469-P471 WeakPolarHBondContact O-CD 2.83Å; P471-R473 PolarHBondContact O-N 3.17Å
472P67.3Low75Confident123 Ų123119.1 Ų119.180%0.79964%0.64SS**PPolyproline II helixtrans-55.5134.6176.721.8-31.1000109.2
473R64.1Low73.9Confident188 Ų188121.5 Ų121.571%0.70966%0.66SS**PPolyproline II helixtrans-61.2138.3171.6-78.1-174.8174.9174.1-0.4107.3P471 G475P471-R473 PolarHBondContact O-N 3.17Å; R473-G475 PolarHBondContact O-N 3.12Å; R473-G475 VanDerWaalsContact O-N 3.07Å
474P64.6Low72.8Confident121 Ų121121.2 Ų121.279%0.78666%0.66SS**PPolyproline II helixtrans-50.5123.3164.7-19.830.4000107.1
475G67.8Low71.6Confident50 Ų50128.2 Ų128.252%0.51569%0.693SS.*PPolyproline II helixtrans-54.9152.7172.300000108.9R473 N477R473-G475 PolarHBondContact O-N 3.12Å; R473-G475 VanDerWaalsContact O-N 3.07Å; G475-N477 PolarHBondContact O-N 3.46Å
476P68.6Low70.3Confident132 Ų132132.1 Ų132.186%0.85771%0.709SS**PPolyproline II helixtrans-52.2118.1170.122.8-30.1000107.1A478P476-A478 PolarHBondContact O-N 3.25Å
477N65.9Low68.6Low146 Ų146132.2 Ų132.278%0.78171%0.71SS**PPolyproline II helixtrans-54.3116.3168.9-81.5-16.5000105.4G475 R479G475-N477 PolarHBondContact O-N 3.46Å; N477-R479 VanDerWaalsContact C-N 3.28Å; N477-R479 PolarHBondContact O-N 2.62Å
478A50.9Low66.9Low109 Ų109138.2 Ų138.290%0.90175%0.745SS**  trans-57.5100.5166.900000106.1P476P476-A478 PolarHBondContact O-N 3.25Å
479R47.4Very low65.3Low311 Ų311132 Ų132100%1.17473%0.726SS**  trans-89.60166.4-88.9-169.7176.3-171.5-0.4108.2N477N477-R479 VanDerWaalsContact C-N 3.28Å; N477-R479 PolarHBondContact O-N 2.62Å

Retrieved 479 of 479 residues in 1618.7 ms (Link to these results)

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