A0A087YLJ6_POEFO Loading...

Epsin 3

AlphaFold DB , UniProt , Accession A0A087YLJ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 517 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M58.3Low79.6Confident192 Ų19295.5 Ų95.595%0.94648%0.482SS*.  0152.70-75.9169.916100109.4
2T74.7Confident80.1Confident59 Ų5988.2 Ų88.236%0.36245%0.445SS..  trans-81.9157.3171.855.20000111.4S4 A5 L6 W33T2-S4 PolarHBondContact O-N 3.49Å; T2-S4 PolarHBondContact OG1-OG 2.77Å; T2-A5 PolarHBondContact O-N 3.12Å; T2-A5 VanDerWaalsContact O-N 3.12Å; T2-A5 WeakPolarHBondContact OG1-CB 3.13Å; T2-A5 PolarHBondContact OG1-N 3.12Å; T2-L6 PolarHBondContact O-N 2.59Å; T2-L6 VanDerWaalsContact O-N 3.13Å; T2-W33 HydrophobicContact CG2-CH2 4.26Å
3T77.1Confident80.4Confident118 Ų11891.2 Ų91.272%0.72446%0.461SS*.Hα-helixtrans-64.1-26.1173.654.50000112.6R7T3-R7 WeakPolarHBondContact O-CB 3.46Å; T3-R7 WeakPolarHBondContact O-CG 3.46Å; T3-R7 PolarHBondContact O-N 2.91Å
4S78.8Confident80.7Confident53 Ų5392.2 Ų92.237%0.37147%0.474SS..Hα-helixtrans-64.9-44170.159.40000112.2T2 R8 D31T2-S4 PolarHBondContact O-N 3.49Å; T2-S4 PolarHBondContact OG1-OG 2.77Å; S4-R8 WeakPolarHBondContact O-CB 3.22Å; S4-R8 PolarHBondContact O-N 3.48Å; S4-D31 PolarHBondContact OG-OD1 2.97Å
5A80.9Confident80.9Confident11 Ų1193.1 Ų93.19%0.09147%0.474CS..Hα-helixtrans-67.2-44.1179.500000111.9T2 R7 R8 Q9T2-A5 PolarHBondContact O-N 3.12Å; T2-A5 VanDerWaalsContact O-N 3.12Å; T2-A5 WeakPolarHBondContact OG1-CB 3.13Å; T2-A5 PolarHBondContact OG1-N 3.12Å; A5-R7 PolarHBondContact O-N 3.47Å; A5-R8 CarbonylContact O-C 3.6Å; A5-R8 WeakPolarHBondContact O-CA 3.48Å; A5-R8 WeakPolarHBondContact O-CB 3.28Å; A5-R8 PolarHBondContact O-N 3.32Å; A5-Q9 PolarHBondContact O-N 3.19Å
6L82.4Confident81.4Confident102 Ų10296.6 Ų96.653%0.53450%0.495SS..Hα-helixtrans-62.1-43.8177.4-175.861.3000111.9T2 R8 Q9 V10T2-L6 PolarHBondContact O-N 2.59Å; T2-L6 VanDerWaalsContact O-N 3.13Å; L6-R8 VanDerWaalsContact C-N 3.26Å; L6-R8 PolarHBondContact O-N 2.82Å; L6-Q9 PolarHBondContact O-N 3Å; L6-V10 WeakPolarHBondContact O-CG2 3.47Å; L6-V10 PolarHBondContact O-N 2.88Å
7R84.3Confident82Confident195 Ų19593.8 Ų93.874%0.73648%0.477SS*.Hα-helixtrans-62.9-30.6173.4-72.7178.3178.3-1650112.7T3 A5 K11T3-R7 WeakPolarHBondContact O-CB 3.46Å; T3-R7 WeakPolarHBondContact O-CG 3.46Å; T3-R7 PolarHBondContact O-N 2.91Å; A5-R7 PolarHBondContact O-N 3.47Å; R7-K11 WeakPolarHBondContact O-CB 3.32Å; R7-K11 WeakPolarHBondContact O-CG 3.45Å; R7-K11 PolarHBondContact O-N 3.15Å
8R85.8Confident82.6Confident38 Ų3890.1 Ų90.114%0.14346%0.461CS..Hα-helixtrans-68.9-45.5172.1176.7173.568.1-131.29.7111.2S4 A5 L6 K11 N12 E26 S29 D31S4-R8 WeakPolarHBondContact O-CB 3.22Å; S4-R8 PolarHBondContact O-N 3.48Å; A5-R8 CarbonylContact O-C 3.6Å; A5-R8 WeakPolarHBondContact O-CA 3.48Å; A5-R8 WeakPolarHBondContact O-CB 3.28Å; A5-R8 PolarHBondContact O-N 3.32Å; L6-R8 VanDerWaalsContact C-N 3.26Å; L6-R8 PolarHBondContact O-N 2.82Å; R8-K11 PolarHBondContact O-N 3.35Å; R8-N12 PolarHBondContact O-N 2.71Å; R8-N12 PolarHBondContact O-OD1 3.24Å; R8-E26 IonicContact CZ-OE1 3.2Å; R8-E26 IonicContact NH2-OE1 3.33Å; R8-E26 PolarHBondContact NH2-OE1 3.08Å; R8-S29 VanDerWaalsContact NH1-CB 3.3Å; R8-D31 IonicContact CZ-OD2 3.95Å; R8-D31 IonicContact NH1-OD2 2.99Å; R8-D31 PolarHBondContact NH1-OD2 3.32Å; R8-D31 IonicContact NH2-OD2 3.94Å
9Q83Confident83.1Confident70 Ų7091.8 Ų91.833%0.32747%0.467SS..Hα-helixtrans-63.1-47.5178.8-72.1176.5-51.800112.5A5 L6 K11 N12 I13A5-Q9 PolarHBondContact O-N 3.19Å; L6-Q9 PolarHBondContact O-N 3Å; Q9-K11 VanDerWaalsContact C-N 3.32Å; Q9-K11 PolarHBondContact O-N 2.7Å; Q9-N12 WeakPolarHBondContact O-CB 3.2Å; Q9-N12 PolarHBondContact O-N 2.78Å; Q9-I13 PolarHBondContact O-N 2.96Å; Q9-I13 VanDerWaalsContact O-N 3.09Å
10V86.6Confident83.6Confident81 Ų8187.4 Ų87.449%0.49145%0.445SS..Hα-helixtrans-58.2-45175.3174.60000111L6 N12 I13 V14L6-V10 WeakPolarHBondContact O-CG2 3.47Å; L6-V10 PolarHBondContact O-N 2.88Å; V10-N12 VanDerWaalsContact C-N 3.27Å; V10-N12 PolarHBondContact O-N 3.46Å; V10-I13 PolarHBondContact O-N 3.4Å; V10-V14 WeakPolarHBondContact O-CG2 3.21Å; V10-V14 PolarHBondContact O-N 3.48Å; V10-V14 VanDerWaalsContact O-N 3.1Å
11K83.4Confident84.2Confident132 Ų13285.2 Ų85.257%0.57443%0.433SS*.Hα-helixtrans-61.8-33.7174-78.5-171.1175.1-163.20112.9R7 R8 Q9 H15R7-K11 WeakPolarHBondContact O-CB 3.32Å; R7-K11 WeakPolarHBondContact O-CG 3.45Å; R7-K11 PolarHBondContact O-N 3.15Å; R8-K11 PolarHBondContact O-N 3.35Å; Q9-K11 VanDerWaalsContact C-N 3.32Å; Q9-K11 PolarHBondContact O-N 2.7Å; K11-H15 PolarHBondContact O-N 2.98Å; K11-H15 PolarHBondContact O-ND1 3.12Å
12N85.6Confident85.9Confident7 Ų778.7 Ų78.74%0.03740%0.402CS..Hα-helixtrans-68.4-41.3180-69.1-9.8000112.1R8 Q9 V10 H15 N16 Y17 I22 R25R8-N12 PolarHBondContact O-N 2.71Å; R8-N12 PolarHBondContact O-OD1 3.24Å; Q9-N12 WeakPolarHBondContact O-CB 3.2Å; Q9-N12 PolarHBondContact O-N 2.78Å; V10-N12 VanDerWaalsContact C-N 3.27Å; V10-N12 PolarHBondContact O-N 3.46Å; N12-H15 PolarHBondContact O-N 3.44Å; N12-N16 PolarHBondContact O-N 2.85Å; N12-Y17 HydrophobicContact CB-CD2 4.25Å; N12-Y17 PolarHBondContact O-N 3.03Å; N12-I22 HydrophobicContact CB-CD1 4.11Å; N12-I22 HydrophobicContact CB-CG1 3.99Å; N12-R25 VanDerWaalsContact OD1-CZ 3.29Å; N12-R25 PolarHBondContact OD1-NE 3.23Å; N12-R25 PolarHBondContact OD1-NH2 3.43Å
13I83.9Confident86.9Confident127 Ų12777.5 Ų77.565%0.65139%0.391SS*.Hα-helixtrans-61.4-50.7174.1-61.7165000110Q9 V10 H15 N16Q9-I13 PolarHBondContact O-N 2.96Å; Q9-I13 VanDerWaalsContact O-N 3.09Å; V10-I13 PolarHBondContact O-N 3.4Å; I13-H15 PolarHBondContact O-N 2.85Å; I13-H15 VanDerWaalsContact O-N 3.09Å; I13-N16 PolarHBondContact O-N 2.8Å; I13-N16 VanDerWaalsContact O-N 3.08Å; I13-N16 PolarHBondContact O-OD1 3.16Å
14V85.1Confident87.9Confident106 Ų10671.9 Ų71.964%0.64236%0.357SS*.Hα-helixtrans-60.1-23.5-178.3170.40000113.8V10V10-V14 WeakPolarHBondContact O-CG2 3.21Å; V10-V14 PolarHBondContact O-N 3.48Å; V10-V14 VanDerWaalsContact O-N 3.1Å
15H83.4Confident88.6Confident105 Ų10571.1 Ų71.149%0.48635%0.346SS..THydrogen-bonded Turntrans-106.24.9-179.3-65.164.8000113.3K11 N12 I13 Y17K11-H15 PolarHBondContact O-N 2.98Å; K11-H15 PolarHBondContact O-ND1 3.12Å; N12-H15 PolarHBondContact O-N 3.44Å; I13-H15 PolarHBondContact O-N 2.85Å; I13-H15 VanDerWaalsContact O-N 3.09Å; H15-Y17 VanDerWaalsContact C-N 3.28Å; H15-Y17 HydrophobicContact CB-CD2 3.85Å; H15-Y17 HydrophobicContact CB-CE1 4.22Å; H15-Y17 HydrophobicContact CB-CE2 3.32Å; H15-Y17 HydrophobicContact CB-CG 4.44Å; H15-Y17 AromaticContact CG-CE2 3.88Å; H15-Y17 PolarHBondContact O-N 3.31Å
16N89.9Confident89.3Confident149 Ų14974.2 Ų74.280%0.79736%0.359SS*.THydrogen-bonded Turntrans50.139.2179.5-60.5-43.1000114.9N12 I13N12-N16 PolarHBondContact O-N 2.85Å; I13-N16 PolarHBondContact O-N 2.8Å; I13-N16 VanDerWaalsContact O-N 3.08Å; I13-N16 PolarHBondContact O-OD1 3.16Å
17Y90.2Very high89.9Confident49 Ų4969.4 Ų69.419%0.19233%0.334CS..  trans-67.7145.8176.9-65.4-56.7000112N12 H15 E21 I22 R25 M59N12-Y17 HydrophobicContact CB-CD2 4.25Å; N12-Y17 PolarHBondContact O-N 3.03Å; H15-Y17 VanDerWaalsContact C-N 3.28Å; H15-Y17 HydrophobicContact CB-CD2 3.85Å; H15-Y17 HydrophobicContact CB-CE1 4.22Å; H15-Y17 HydrophobicContact CB-CE2 3.32Å; H15-Y17 HydrophobicContact CB-CG 4.44Å; H15-Y17 AromaticContact CG-CE2 3.88Å; H15-Y17 PolarHBondContact O-N 3.31Å; Y17-E21 VanDerWaalsContact CA-OE2 3.3Å; Y17-E21 WeakPolarHBondContact CA-OE2 3.44Å; Y17-E21 WeakPolarHBondContact CD1-OE1 3.2Å; Y17-E21 WeakPolarHBondContact CD1-OE2 3.27Å; Y17-I22 WeakPolarHBondContact O-CD1 3.28Å; Y17-R25 VanDerWaalsContact CD2-CZ 3.46Å; Y17-R25 PolarHBondContact OH-NH1 3.32Å; Y17-M59 HydrophobicContact CE1-CE 4.48Å
18S92.9Very high90.5Very high27 Ų2760.1 Ų60.119%0.18930%0.298CS..  trans-65.2163176.391.50000112.5A20 E21 I22 E55S18-A20 PolarHBondContact O-N 3.33Å; S18-A20 PolarHBondContact OG-N 2.83Å; S18-E21 PolarHBondContact N-OE2 3.37Å; S18-E21 PolarHBondContact O-N 3.43Å; S18-E21 PolarHBondContact OG-N 3.34Å; S18-I22 WeakPolarHBondContact O-CB 3.45Å; S18-I22 WeakPolarHBondContact O-CG1 3.23Å; S18-I22 PolarHBondContact O-N 2.9Å; S18-E55 WeakPolarHBondContact CB-OE2 3.43Å; S18-E55 VanDerWaalsContact OG-CD 3.24Å; S18-E55 PolarHBondContact OG-OE2 3.15Å
19E92.3Very high90.8Very high123 Ų12358.5 Ų58.558%0.57529%0.293SS*.Hα-helixtrans-56.5-39.2172.9-168.1-168.2149.600111.5I22 K23E19-I22 PolarHBondContact O-N 3.34Å; E19-K23 WeakPolarHBondContact O-CG 3.35Å; E19-K23 PolarHBondContact O-N 3.46Å; E19-K23 WeakPolarHBondContact OE1-CE 3.4Å; E19-K23 IonicContact OE1-NZ 2.72Å; E19-K23 PolarHBondContact OE1-NZ 2.94Å
20A94.5Very high91.2Very high4 Ų459 Ų593%0.03330%0.298CS..Hα-helixtrans-67.8-45.2-179.900000111.7S18 I22 K23 V24 L46 A52 E55 V56S18-A20 PolarHBondContact O-N 3.33Å; S18-A20 PolarHBondContact OG-N 2.83Å; A20-I22 VanDerWaalsContact C-N 3.33Å; A20-I22 PolarHBondContact O-N 2.98Å; A20-K23 PolarHBondContact O-N 3.42Å; A20-V24 WeakPolarHBondContact O-CG2 3.25Å; A20-V24 PolarHBondContact O-N 2.76Å; A20-L46 HydrophobicContact CB-CD1 3.96Å; A20-A52 HydrophobicContact CB-CB 4.05Å; A20-E55 HydrophobicContact CB-CB 4.48Å; A20-V56 HydrophobicContact CB-CG2 3.93Å
21E94.6Very high91.4Very high42 Ų4255.9 Ų55.920%0.19628%0.278CS..Hα-helixtrans-59.5-42.4171.7-74.5-170.6101.400112.2Y17 S18 V24 R25 E55 M59Y17-E21 VanDerWaalsContact CA-OE2 3.3Å; Y17-E21 WeakPolarHBondContact CA-OE2 3.44Å; Y17-E21 WeakPolarHBondContact CD1-OE1 3.2Å; Y17-E21 WeakPolarHBondContact CD1-OE2 3.27Å; S18-E21 PolarHBondContact N-OE2 3.37Å; S18-E21 PolarHBondContact O-N 3.43Å; S18-E21 PolarHBondContact OG-N 3.34Å; E21-V24 PolarHBondContact O-N 3.32Å; E21-R25 VanDerWaalsContact O-CB 3.31Å; E21-R25 WeakPolarHBondContact O-CB 3.37Å; E21-R25 VanDerWaalsContact O-CD 3.29Å; E21-R25 WeakPolarHBondContact O-CD 3.37Å; E21-R25 WeakPolarHBondContact O-CG 3.11Å; E21-R25 PolarHBondContact O-N 3.21Å; E21-E55 HydrophobicContact CG-CB 4.08Å; E21-M59 HydrophobicContact CB-CE 4.03Å; E21-M59 HydrophobicContact CG-CE 3.88Å; E21-M59 WeakPolarHBondContact OE1-CE 3.36Å
22I94.6Very high91.5Very high55 Ų5554 Ų5428%0.28228%0.28SS..Hα-helixtrans-61-47.6178.8-72.7171.3000110.4N12 Y17 S18 E19 A20 R25 E26N12-I22 HydrophobicContact CB-CD1 4.11Å; N12-I22 HydrophobicContact CB-CG1 3.99Å; Y17-I22 WeakPolarHBondContact O-CD1 3.28Å; S18-I22 WeakPolarHBondContact O-CB 3.45Å; S18-I22 WeakPolarHBondContact O-CG1 3.23Å; S18-I22 PolarHBondContact O-N 2.9Å; E19-I22 PolarHBondContact O-N 3.34Å; A20-I22 VanDerWaalsContact C-N 3.33Å; A20-I22 PolarHBondContact O-N 2.98Å; I22-R25 PolarHBondContact O-N 2.84Å; I22-E26 WeakPolarHBondContact O-CB 3.41Å; I22-E26 PolarHBondContact O-N 3.29Å
23K95.9Very high91.7Very high33 Ų3360.8 Ų60.814%0.14331%0.305CS..Hα-helixtrans-61.6-43.9177.5-72.9-176.1-173.8-179.10112E19 A20 E26 A27 L39 E42 I43 L46E19-K23 WeakPolarHBondContact O-CG 3.35Å; E19-K23 PolarHBondContact O-N 3.46Å; E19-K23 WeakPolarHBondContact OE1-CE 3.4Å; E19-K23 IonicContact OE1-NZ 2.72Å; E19-K23 PolarHBondContact OE1-NZ 2.94Å; A20-K23 PolarHBondContact O-N 3.42Å; K23-E26 PolarHBondContact O-N 2.87Å; K23-A27 WeakPolarHBondContact O-CB 3.34Å; K23-A27 PolarHBondContact O-N 3Å; K23-L39 HydrophobicContact CB-CD1 3.8Å; K23-L39 HydrophobicContact CD-CD1 4.21Å; K23-L39 HydrophobicContact CG-CD1 3.82Å; K23-E42 HydrophobicContact CD-CB 4.31Å; K23-E42 VanDerWaalsContact CE-OE2 3.3Å; K23-E42 WeakPolarHBondContact CE-OE2 3.45Å; K23-E42 IonicContact NZ-OE2 3.38Å; K23-E42 PolarHBondContact NZ-OE2 3.27Å; K23-I43 HydrophobicContact CB-CD1 4.13Å; K23-I43 HydrophobicContact CB-CG1 3.76Å; K23-L46 HydrophobicContact CD-CD1 4.06Å
24V96.9Very high92Very high0 Ų057 Ų570%030%0.297CS..Hα-helixtrans-63.1-44.7174.2177.50000111.3A20 E21 E26 A27 T28 I43 V56 M59 V60 L80A20-V24 WeakPolarHBondContact O-CG2 3.25Å; A20-V24 PolarHBondContact O-N 2.76Å; E21-V24 PolarHBondContact O-N 3.32Å; V24-E26 PolarHBondContact O-N 3.15Å; V24-A27 PolarHBondContact O-N 2.74Å; V24-T28 HydrophobicContact CG1-CG2 4.08Å; V24-T28 WeakPolarHBondContact O-CG2 3.19Å; V24-T28 PolarHBondContact O-N 3.01Å; V24-T28 PolarHBondContact O-OG1 3.5Å; V24-I43 HydrophobicContact CG2-CD1 4.26Å; V24-I43 HydrophobicContact CG2-CG1 4.44Å; V24-I43 HydrophobicContact CG2-CG2 3.87Å; V24-V56 HydrophobicContact CG2-CB 4.19Å; V24-V56 HydrophobicContact CG2-CG1 3.91Å; V24-V56 HydrophobicContact CG2-CG2 4.03Å; V24-M59 HydrophobicContact CB-CB 4.17Å; V24-M59 HydrophobicContact CB-CG 3.9Å; V24-M59 HydrophobicContact CG1-CB 3.84Å; V24-M59 HydrophobicContact CG1-CG 3.56Å; V24-V60 HydrophobicContact CG1-CG2 3.83Å; V24-L80 HydrophobicContact CG1-CD2 4.05Å; V24-L80 HydrophobicContact CG2-CD2 4.26Å
25R95Very high92.4Very high37 Ų3752.9 Ų52.914%0.1427%0.272CS..Hα-helixtrans-63.5-25.2179-71.4162.262.690.1-2.1113.4N12 Y17 E21 I22 M59 R63N12-R25 VanDerWaalsContact OD1-CZ 3.29Å; N12-R25 PolarHBondContact OD1-NE 3.23Å; N12-R25 PolarHBondContact OD1-NH2 3.43Å; Y17-R25 VanDerWaalsContact CD2-CZ 3.46Å; Y17-R25 PolarHBondContact OH-NH1 3.32Å; E21-R25 VanDerWaalsContact O-CB 3.31Å; E21-R25 WeakPolarHBondContact O-CB 3.37Å; E21-R25 VanDerWaalsContact O-CD 3.29Å; E21-R25 WeakPolarHBondContact O-CD 3.37Å; E21-R25 WeakPolarHBondContact O-CG 3.11Å; E21-R25 PolarHBondContact O-N 3.21Å; I22-R25 PolarHBondContact O-N 2.84Å; R25-M59 HydrophobicContact CG-CE 4.05Å; R25-M59 HydrophobicContact CG-CG 3.91Å; R25-M59 HydrophobicContact CG-SD 3.55Å; R25-M59 VanDerWaalsContact CG-SD 3.55Å; R25-R63 PolarHBondContact O-NH2 3.15Å
26E94.6Very high92.9Very high77 Ų7751.3 Ų51.336%0.3627%0.273SS..Hα-helixtrans-79.5-46.8171.5180137-122.600112R8 I22 K23 V24 T28 S29 L39R8-E26 IonicContact CZ-OE1 3.2Å; R8-E26 IonicContact NH2-OE1 3.33Å; R8-E26 PolarHBondContact NH2-OE1 3.08Å; I22-E26 WeakPolarHBondContact O-CB 3.41Å; I22-E26 PolarHBondContact O-N 3.29Å; K23-E26 PolarHBondContact O-N 2.87Å; V24-E26 PolarHBondContact O-N 3.15Å; E26-T28 VanDerWaalsContact C-N 3.32Å; E26-T28 PolarHBondContact O-N 2.81Å; E26-S29 VanDerWaalsContact O-CB 3.28Å; E26-S29 WeakPolarHBondContact O-CB 3.39Å; E26-S29 PolarHBondContact O-N 3.23Å; E26-L39 HydrophobicContact CB-CD2 4.21Å; E26-L39 HydrophobicContact CG-CD2 3.84Å
27A96.1Very high93Very high1 Ų148.3 Ų48.31%0.00826%0.264CS..Hα-helixtrans-59.8-40.3175.300000112.2K23 V24 S29 P35 L39 I43 K76 L80K23-A27 WeakPolarHBondContact O-CB 3.34Å; K23-A27 PolarHBondContact O-N 3Å; V24-A27 PolarHBondContact O-N 2.74Å; A27-S29 VanDerWaalsContact C-N 3.32Å; A27-S29 PolarHBondContact O-N 3.25Å; A27-P35 HydrophobicContact CB-CB 3.98Å; A27-L39 HydrophobicContact CB-CD2 3.89Å; A27-L39 HydrophobicContact CB-CG 4.36Å; A27-I43 HydrophobicContact CB-CD1 3.72Å; A27-K76 WeakPolarHBondContact O-CD 3.25Å; A27-L80 HydrophobicContact CB-CD2 4.14Å
28T95.9Very high93.2Very high0 Ų049.7 Ų49.70%028%0.281CS..THydrogen-bonded Turntrans-92.433.9177.676.50000113V24 E26 R63 H73 A77 L80V24-T28 HydrophobicContact CG1-CG2 4.08Å; V24-T28 WeakPolarHBondContact O-CG2 3.19Å; V24-T28 PolarHBondContact O-N 3.01Å; V24-T28 PolarHBondContact O-OG1 3.5Å; E26-T28 VanDerWaalsContact C-N 3.32Å; E26-T28 PolarHBondContact O-N 2.81Å; T28-R63 HydrophobicContact CG2-CB 4.33Å; T28-R63 HydrophobicContact CG2-CG 4.33Å; T28-R63 WeakPolarHBondContact OG1-CG 3.26Å; T28-R63 PolarHBondContact OG1-NE 3.48Å; T28-H73 PolarHBondContact O-CD2 2.81Å; T28-A77 HydrophobicContact CG2-CB 4.01Å; T28-L80 HydrophobicContact CG2-CD2 4.35Å
29S92.8Very high93.3Very high4 Ų449.6 Ų49.63%0.02828%0.278CS..  trans-70.9164.2-179.777.50000113.9R8 E26 A27 D31 K76R8-S29 VanDerWaalsContact NH1-CB 3.3Å; E26-S29 VanDerWaalsContact O-CB 3.28Å; E26-S29 WeakPolarHBondContact O-CB 3.39Å; E26-S29 PolarHBondContact O-N 3.23Å; A27-S29 VanDerWaalsContact C-N 3.32Å; A27-S29 PolarHBondContact O-N 3.25Å; S29-D31 WeakPolarHBondContact CB-OD2 3.43Å; S29-D31 PolarHBondContact O-N 3.31Å; S29-D31 WeakPolarHBondContact OG-CB 3.37Å; S29-D31 PolarHBondContact OG-N 3.27Å; S29-D31 PolarHBondContact OG-OD2 2.95Å; S29-K76 WeakPolarHBondContact O-CD 3.44Å; S29-K76 WeakPolarHBondContact O-CE 3.39Å; S29-K76 PolarHBondContact O-NZ 2.86Å; S29-K76 PolarHBondContact OG-NZ 3.39Å
30N91.1Very high93.5Very high79 Ų7944.6 Ų44.642%0.42226%0.255SS..SBendtrans-81.11.2171.9-158.534.7000114R72N30-R72 VanDerWaalsContact O-CD 3.26Å; N30-R72 WeakPolarHBondContact O-CD 3.28Å; N30-R72 PolarHBondContact O-NH1 3.08Å; N30-R72 WeakPolarHBondContact OD1-CB 3.28Å; N30-R72 WeakPolarHBondContact OD1-CD 3.43Å
31D89.9Confident93.6Very high17 Ų1745.6 Ų45.69%0.09126%0.262CS..SBendtrans-63149.4179.4-51.8-58.9000109.8S4 R8 S29 W33 K76S4-D31 PolarHBondContact OG-OD1 2.97Å; R8-D31 IonicContact CZ-OD2 3.95Å; R8-D31 IonicContact NH1-OD2 2.99Å; R8-D31 PolarHBondContact NH1-OD2 3.32Å; R8-D31 IonicContact NH2-OD2 3.94Å; S29-D31 WeakPolarHBondContact CB-OD2 3.43Å; S29-D31 PolarHBondContact O-N 3.31Å; S29-D31 WeakPolarHBondContact OG-CB 3.37Å; S29-D31 PolarHBondContact OG-N 3.27Å; S29-D31 PolarHBondContact OG-OD2 2.95Å; D31-W33 VanDerWaalsContact C-N 3.34Å; D31-W33 HydrophobicContact CB-CD2 4.16Å; D31-W33 HydrophobicContact CB-CE3 4.48Å; D31-W33 HydrophobicContact CB-CH2 3.94Å; D31-W33 HydrophobicContact CB-CZ2 3.57Å; D31-W33 HydrophobicContact CB-CZ3 4.38Å; D31-W33 PolarHBondContact O-N 3.34Å; D31-K76 VanDerWaalsContact O-CE 3.25Å; D31-K76 WeakPolarHBondContact O-CE 3.46Å; D31-K76 PolarHBondContact O-NZ 2.91Å
32P87.1Confident93.7Very high93 Ų9347.1 Ų47.160%0.60427%0.269SS*.SBendtrans-73-17.7-168.126.3-33.7000115.5
33W88.5Confident93.8Very high149 Ų14944.5 Ų44.556%0.56426%0.255SS*.SBendtrans-88.6155.7176.453.786.9000112.4T2 D31 K76T2-W33 HydrophobicContact CG2-CH2 4.26Å; D31-W33 VanDerWaalsContact C-N 3.34Å; D31-W33 HydrophobicContact CB-CD2 4.16Å; D31-W33 HydrophobicContact CB-CE3 4.48Å; D31-W33 HydrophobicContact CB-CH2 3.94Å; D31-W33 HydrophobicContact CB-CZ2 3.57Å; D31-W33 HydrophobicContact CB-CZ3 4.38Å; D31-W33 PolarHBondContact O-N 3.34Å; W33-K76 WeakPolarHBondContact O-CE 3.48Å; W33-K76 PolarHBondContact O-NZ 3.46Å
34G89.7Confident93.8Very high47 Ų4743 Ų4349%0.48525%0.249SC..PPolyproline II helixtrans-67.3167.8174.900000113.8
35P93.7Very high93.8Very high19 Ų1946.6 Ų46.612%0.12327%0.268CS..PPolyproline II helixtrans-61.2146.517228-35.7000111.8A27 M40 T79A27-P35 HydrophobicContact CB-CB 3.98Å; P35-M40 HydrophobicContact CB-CG 3.9Å; P35-M40 HydrophobicContact CB-SD 4.05Å; P35-M40 HydrophobicContact CG-CE 4.31Å; P35-M40 HydrophobicContact CG-CG 4.07Å; P35-M40 HydrophobicContact CG-SD 3.53Å; P35-M40 VanDerWaalsContact CG-SD 3.53Å; P35-T79 HydrophobicContact CG-CG2 3.95Å
36S94.4Very high93.8Very high73 Ų7346.8 Ų46.851%0.5127%0.272SS..PPolyproline II helixtrans-71.4139.8175.21760000111.3S38 L39 M40S36-S38 VanDerWaalsContact C-N 3.26Å; S36-S38 PolarHBondContact O-N 2.85Å; S36-L39 PolarHBondContact O-N 2.84Å; S36-L39 VanDerWaalsContact O-N 3.15Å; S36-M40 WeakPolarHBondContact O-CG 3.39Å; S36-M40 PolarHBondContact O-N 2.89Å
37S92.8Very high93.9Very high86 Ų8643.2 Ų43.260%0.60126%0.255SS*.Hα-helixtrans-58-35.2178.1-49.50000113.3M40 S41S37-M40 PolarHBondContact O-N 3.14Å; S37-S41 PolarHBondContact O-N 3.1Å
38S94.3Very high93.9Very high77 Ų7748.7 Ų48.754%0.53828%0.279SS..Hα-helixtrans-62.2-50.9174.9-172.20000110.9S36 M40 S41 E42S36-S38 VanDerWaalsContact C-N 3.26Å; S36-S38 PolarHBondContact O-N 2.85Å; S38-M40 VanDerWaalsContact C-N 3.29Å; S38-M40 PolarHBondContact O-N 3.3Å; S38-S41 WeakPolarHBondContact O-CA 3.19Å; S38-S41 WeakPolarHBondContact O-CB 3.43Å; S38-S41 PolarHBondContact O-N 3.03Å; S38-E42 PolarHBondContact O-N 3.37Å; S38-E42 PolarHBondContact OG-OE1 2.83Å
39L95.8Very high93.9Very high26 Ų2652.8 Ų52.814%0.13630%0.301CS..Hα-helixtrans-61.9-37.6179.2-179.365.1000111.7K23 E26 A27 S36 E42 I43K23-L39 HydrophobicContact CB-CD1 3.8Å; K23-L39 HydrophobicContact CD-CD1 4.21Å; K23-L39 HydrophobicContact CG-CD1 3.82Å; E26-L39 HydrophobicContact CB-CD2 4.21Å; E26-L39 HydrophobicContact CG-CD2 3.84Å; A27-L39 HydrophobicContact CB-CD2 3.89Å; A27-L39 HydrophobicContact CB-CG 4.36Å; S36-L39 PolarHBondContact O-N 2.84Å; S36-L39 VanDerWaalsContact O-N 3.15Å; L39-E42 PolarHBondContact O-N 2.8Å; L39-I43 HydrophobicContact CD1-CD1 4.35Å; L39-I43 HydrophobicContact CG-CD1 4.09Å; L39-I43 WeakPolarHBondContact O-CD1 3.38Å; L39-I43 WeakPolarHBondContact O-CG1 3.48Å; L39-I43 PolarHBondContact O-N 3.04Å
40M96.2Very high93.9Very high18 Ų1856.7 Ų56.79%0.08932%0.324CS..Hα-helixtrans-66-38.5173.7-67-166.5-69.200112.2P35 S36 S37 S38 I43 A44 T79 L80 Y83P35-M40 HydrophobicContact CB-CG 3.9Å; P35-M40 HydrophobicContact CB-SD 4.05Å; P35-M40 HydrophobicContact CG-CE 4.31Å; P35-M40 HydrophobicContact CG-CG 4.07Å; P35-M40 HydrophobicContact CG-SD 3.53Å; P35-M40 VanDerWaalsContact CG-SD 3.53Å; S36-M40 WeakPolarHBondContact O-CG 3.39Å; S36-M40 PolarHBondContact O-N 2.89Å; S37-M40 PolarHBondContact O-N 3.14Å; S38-M40 VanDerWaalsContact C-N 3.29Å; S38-M40 PolarHBondContact O-N 3.3Å; M40-I43 PolarHBondContact O-N 3.45Å; M40-A44 WeakPolarHBondContact O-CB 3.33Å; M40-A44 PolarHBondContact O-N 3.47Å; M40-T79 HydrophobicContact SD-CG2 4.39Å; M40-L80 HydrophobicContact CB-CD1 4.36Å; M40-L80 HydrophobicContact CG-CD1 4.04Å; M40-Y83 HydrophobicContact CB-CD1 3.61Å; M40-Y83 HydrophobicContact CB-CD2 4.47Å; M40-Y83 HydrophobicContact CB-CE1 3.75Å; M40-Y83 HydrophobicContact CB-CG 4Å; M40-Y83 HydrophobicContact CE-CD2 4.42Å; M40-Y83 VanDerWaalsContact O-CE1 3.26Å; M40-Y83 WeakPolarHBondContact O-CE1 3.4Å; M40-Y83 HydrophobicContact SD-CG 4.26Å
41S95.4Very high93.9Very high25 Ų2557.7 Ų57.718%0.17533%0.333CS..Hα-helixtrans-63.4-48.4172.4-169.50000111.5S37 S38 I43 A44 D45 K151S37-S41 PolarHBondContact O-N 3.1Å; S38-S41 WeakPolarHBondContact O-CA 3.19Å; S38-S41 WeakPolarHBondContact O-CB 3.43Å; S38-S41 PolarHBondContact O-N 3.03Å; S41-I43 VanDerWaalsContact C-N 3.27Å; S41-I43 PolarHBondContact O-N 3.03Å; S41-A44 CarbonylContact O-C 3.54Å; S41-A44 WeakPolarHBondContact O-CA 3.23Å; S41-A44 WeakPolarHBondContact O-CB 3.32Å; S41-A44 PolarHBondContact O-N 3.48Å; S41-D45 VanDerWaalsContact O-CG 3.31Å; S41-D45 PolarHBondContact O-N 3.19Å; S41-D45 PolarHBondContact OG-OD2 3.05Å; S41-K151 VanDerWaalsContact OG-CE 3.28Å; S41-K151 WeakPolarHBondContact OG-CE 3.39Å; S41-K151 PolarHBondContact OG-NZ 3.07Å
42E96.3Very high94.1Very high74 Ų7457.2 Ų57.235%0.34633%0.331SS..Hα-helixtrans-56.6-41.1178.4-70.5172.9-116.300112.2K23 S38 L39 D45 L46K23-E42 HydrophobicContact CD-CB 4.31Å; K23-E42 VanDerWaalsContact CE-OE2 3.3Å; K23-E42 WeakPolarHBondContact CE-OE2 3.45Å; K23-E42 IonicContact NZ-OE2 3.38Å; K23-E42 PolarHBondContact NZ-OE2 3.27Å; S38-E42 PolarHBondContact O-N 3.37Å; S38-E42 PolarHBondContact OG-OE1 2.83Å; L39-E42 PolarHBondContact O-N 2.8Å; E42-D45 PolarHBondContact O-N 2.98Å; E42-L46 WeakPolarHBondContact O-CG 3.5Å; E42-L46 PolarHBondContact O-N 3.22Å
43I97.2Very high94.6Very high0 Ų054.1 Ų54.10%031%0.308CS..Hα-helixtrans-67.7-39.6174.7-61.5161.5000110.6K23 V24 A27 L39 M40 S41 D45 L46 T47 V56 L80 L84K23-I43 HydrophobicContact CB-CD1 4.13Å; K23-I43 HydrophobicContact CB-CG1 3.76Å; V24-I43 HydrophobicContact CG2-CD1 4.26Å; V24-I43 HydrophobicContact CG2-CG1 4.44Å; V24-I43 HydrophobicContact CG2-CG2 3.87Å; A27-I43 HydrophobicContact CB-CD1 3.72Å; L39-I43 HydrophobicContact CD1-CD1 4.35Å; L39-I43 HydrophobicContact CG-CD1 4.09Å; L39-I43 WeakPolarHBondContact O-CD1 3.38Å; L39-I43 WeakPolarHBondContact O-CG1 3.48Å; L39-I43 PolarHBondContact O-N 3.04Å; M40-I43 PolarHBondContact O-N 3.45Å; S41-I43 VanDerWaalsContact C-N 3.27Å; S41-I43 PolarHBondContact O-N 3.03Å; I43-D45 VanDerWaalsContact C-N 3.34Å; I43-D45 PolarHBondContact O-N 3.13Å; I43-L46 PolarHBondContact O-N 2.92Å; I43-T47 WeakPolarHBondContact O-CG2 3.37Å; I43-T47 PolarHBondContact O-N 2.58Å; I43-T47 VanDerWaalsContact O-N 3.14Å; I43-V56 HydrophobicContact CG2-CG1 3.64Å; I43-V56 HydrophobicContact CG2-CG2 4.05Å; I43-L80 HydrophobicContact CB-CD1 4.25Å; I43-L80 HydrophobicContact CD1-CD1 3.94Å; I43-L80 HydrophobicContact CD1-CD2 4.04Å; I43-L80 HydrophobicContact CG2-CD1 4.14Å; I43-L80 HydrophobicContact CG2-CD2 4.37Å; I43-L84 HydrophobicContact CG2-CD1 4.3Å; I43-L84 HydrophobicContact CG2-CD2 4.1Å
44A96.6Very high94.9Very high0 Ų050.1 Ų50.10%031%0.307CS..Hα-helixtrans-61.1-42.2174.600000112.2M40 S41 L46 T47 F48 Y83 L84M40-A44 WeakPolarHBondContact O-CB 3.33Å; M40-A44 PolarHBondContact O-N 3.47Å; S41-A44 CarbonylContact O-C 3.54Å; S41-A44 WeakPolarHBondContact O-CA 3.23Å; S41-A44 WeakPolarHBondContact O-CB 3.32Å; S41-A44 PolarHBondContact O-N 3.48Å; A44-L46 VanDerWaalsContact C-N 3.34Å; A44-T47 PolarHBondContact O-N 3.24Å; A44-T47 VanDerWaalsContact O-N 3.13Å; A44-T47 PolarHBondContact O-OG1 3.07Å; A44-F48 WeakPolarHBondContact O-CD2 3.11Å; A44-F48 WeakPolarHBondContact O-CE2 3.11Å; A44-Y83 HydrophobicContact CB-CD1 4.36Å; A44-Y83 HydrophobicContact CB-CE1 3.95Å; A44-L84 HydrophobicContact CB-CD2 3.72Å
45D95.8Very high95.2Very high77 Ų7751 Ų5141%0.41230%0.298SS..Hα-helixtrans-67-35.4177.6-64.8-46000111.3S41 E42 I43 T47 F48 K151S41-D45 VanDerWaalsContact O-CG 3.31Å; S41-D45 PolarHBondContact O-N 3.19Å; S41-D45 PolarHBondContact OG-OD2 3.05Å; E42-D45 PolarHBondContact O-N 2.98Å; I43-D45 VanDerWaalsContact C-N 3.34Å; I43-D45 PolarHBondContact O-N 3.13Å; D45-T47 VanDerWaalsContact C-N 3.32Å; D45-T47 PolarHBondContact O-N 3.48Å; D45-F48 PolarHBondContact O-N 3.1Å; D45-K151 IonicContact OD1-NZ 3.71Å; D45-K151 PolarHBondContact OD1-NZ 3.32Å; D45-K151 IonicContact OD2-NZ 2.74Å; D45-K151 PolarHBondContact OD2-NZ 3.34Å
46L96.4Very high95.4Very high41 Ų4150 Ų5022%0.21529%0.293CS..Hα-helixtrans-64.3-28.5170.4-73.4169.1000113.8A20 K23 E42 I43 A44 F48 N49 A52A20-L46 HydrophobicContact CB-CD1 3.96Å; K23-L46 HydrophobicContact CD-CD1 4.06Å; E42-L46 WeakPolarHBondContact O-CG 3.5Å; E42-L46 PolarHBondContact O-N 3.22Å; I43-L46 PolarHBondContact O-N 2.92Å; A44-L46 VanDerWaalsContact C-N 3.34Å; L46-F48 PolarHBondContact O-N 3.4Å; L46-F48 VanDerWaalsContact O-N 3.12Å; L46-N49 PolarHBondContact O-N 2.87Å; L46-A52 HydrophobicContact CB-CB 4.35Å; L46-A52 HydrophobicContact CD2-CB 4.32Å
47T96.6Very high95.5Very high1 Ų146.6 Ų46.61%0.00627%0.268CS..THydrogen-bonded Turntrans-66.6-11.1178.766.30000114.8I43 A44 D45 V56 L84 G88 S89 V92I43-T47 WeakPolarHBondContact O-CG2 3.37Å; I43-T47 PolarHBondContact O-N 2.58Å; I43-T47 VanDerWaalsContact O-N 3.14Å; A44-T47 PolarHBondContact O-N 3.24Å; A44-T47 VanDerWaalsContact O-N 3.13Å; A44-T47 PolarHBondContact O-OG1 3.07Å; D45-T47 VanDerWaalsContact C-N 3.32Å; D45-T47 PolarHBondContact O-N 3.48Å; T47-V56 HydrophobicContact CG2-CG1 4Å; T47-L84 HydrophobicContact CG2-CD1 4.32Å; T47-L84 HydrophobicContact CG2-CD2 3.93Å; T47-G88 WeakPolarHBondContact OG1-CA 3.35Å; T47-S89 WeakPolarHBondContact O-CB 3.32Å; T47-S89 PolarHBondContact OG1-N 3.4Å; T47-V92 HydrophobicContact CG2-CG2 4Å
48F95.3Very high95.6Very high116 Ų11644.4 Ų44.451%0.50926%0.259SS..THydrogen-bonded Turntrans-81.3-19.9173.1-65.2-87.8000112.8A44 D45 L46A44-F48 WeakPolarHBondContact O-CD2 3.11Å; A44-F48 WeakPolarHBondContact O-CE2 3.11Å; D45-F48 PolarHBondContact O-N 3.1Å; L46-F48 PolarHBondContact O-N 3.4Å; L46-F48 VanDerWaalsContact O-N 3.12Å
49N96Very high95.7Very high87 Ų8741 Ų4147%0.46524%0.235SC..SBendtrans-82.2125.9170.4177.4-16000109.8L46 V51 A52 F53L46-N49 PolarHBondContact O-N 2.87Å; N49-V51 VanDerWaalsContact C-N 3.31Å; N49-V51 PolarHBondContact O-N 3.17Å; N49-V51 PolarHBondContact OD1-N 2.82Å; N49-A52 HydrophobicContact CB-CB 4.15Å; N49-A52 PolarHBondContact O-N 3.3Å; N49-F53 WeakPolarHBondContact O-CB 3.31Å; N49-F53 PolarHBondContact O-N 2.72Å
50V92.2Very high95.8Very high86 Ų8639.8 Ų39.852%0.52123%0.229SC..Hα-helixtrans-61.1-35.2-174.9-173.60000113.3
51V92.6Very high95.8Very high100 Ų10040.5 Ų40.561%0.60623%0.23SC*.Hα-helixtrans-75.2-54.6-179.8-177.10000109.9N49 F53 A54 E55N49-V51 VanDerWaalsContact C-N 3.31Å; N49-V51 PolarHBondContact O-N 3.17Å; N49-V51 PolarHBondContact OD1-N 2.82Å; V51-F53 PolarHBondContact O-N 3.49Å; V51-A54 PolarHBondContact O-N 2.99Å; V51-A54 VanDerWaalsContact O-N 3.12Å; V51-E55 PolarHBondContact O-N 3.47Å
52A94.3Very high95.8Very high6 Ų646.1 Ų46.15%0.0525%0.252CS..Hα-helixtrans-62.1-28.817900000112.7A20 L46 N49 A54 E55 V56A20-A52 HydrophobicContact CB-CB 4.05Å; L46-A52 HydrophobicContact CB-CB 4.35Å; L46-A52 HydrophobicContact CD2-CB 4.32Å; N49-A52 HydrophobicContact CB-CB 4.15Å; N49-A52 PolarHBondContact O-N 3.3Å; A52-A54 PolarHBondContact O-N 3.43Å; A52-E55 PolarHBondContact O-N 3Å; A52-V56 WeakPolarHBondContact O-CB 3.43Å; A52-V56 VanDerWaalsContact O-CG2 3.26Å; A52-V56 WeakPolarHBondContact O-CG2 3.45Å; A52-V56 PolarHBondContact O-N 2.97Å
53F96.8Very high95.8Very high28 Ų2844.3 Ų44.312%0.12324%0.242CC..Hα-helixtrans-56.1-46.5173173.6-92.1000112.3N49 V51 V56 M57 R91 V92 Q95N49-F53 WeakPolarHBondContact O-CB 3.31Å; N49-F53 PolarHBondContact O-N 2.72Å; V51-F53 PolarHBondContact O-N 3.49Å; F53-V56 PolarHBondContact O-N 3.41Å; F53-M57 HydrophobicContact CD2-CG 4.16Å; F53-M57 HydrophobicContact CE1-CG 4.25Å; F53-M57 HydrophobicContact CE2-CG 3.78Å; F53-M57 HydrophobicContact CZ-CG 3.82Å; F53-M57 WeakPolarHBondContact O-CB 3.38Å; F53-M57 WeakPolarHBondContact O-CG 3.45Å; F53-M57 PolarHBondContact O-N 2.72Å; F53-R91 HydrophobicContact CD2-CB 4.22Å; F53-R91 HydrophobicContact CE1-CB 4.3Å; F53-R91 HydrophobicContact CE2-CB 3.54Å; F53-R91 HydrophobicContact CZ-CB 3.59Å; F53-V92 HydrophobicContact CD2-CG2 4.41Å; F53-V92 HydrophobicContact CE2-CG2 3.81Å; F53-Q95 HydrophobicContact CZ-CB 4.5Å; F53-Q95 VanDerWaalsContact CZ-OE1 3.32Å
54A95.3Very high95.7Very high65 Ų6544.3 Ų44.354%0.53724%0.242SC..Hα-helixtrans-65.4-40.9-179.800000111.6V51 A52 G58V51-A54 PolarHBondContact O-N 2.99Å; V51-A54 VanDerWaalsContact O-N 3.12Å; A52-A54 PolarHBondContact O-N 3.43Å; A54-G58 PolarHBondContact O-N 3.33Å
55E95.6Very high95.6Very high65 Ų6550.4 Ų50.430%0.30427%0.274SS..Hα-helixtrans-64-49.2175.9-62.6176.3165.600112.1S18 A20 E21 V51 A52 M59S18-E55 WeakPolarHBondContact CB-OE2 3.43Å; S18-E55 VanDerWaalsContact OG-CD 3.24Å; S18-E55 PolarHBondContact OG-OE2 3.15Å; A20-E55 HydrophobicContact CB-CB 4.48Å; E21-E55 HydrophobicContact CG-CB 4.08Å; V51-E55 PolarHBondContact O-N 3.47Å; A52-E55 PolarHBondContact O-N 3Å; E55-M59 WeakPolarHBondContact O-CB 3.42Å; E55-M59 PolarHBondContact O-N 3.47Å
56V97.3Very high95.5Very high0 Ų048.4 Ų48.40%026%0.263CS..Hα-helixtrans-58.8-53.7177.9166.70000110.3A20 V24 I43 T47 A52 F53 M59 V60 L84A20-V56 HydrophobicContact CB-CG2 3.93Å; V24-V56 HydrophobicContact CG2-CB 4.19Å; V24-V56 HydrophobicContact CG2-CG1 3.91Å; V24-V56 HydrophobicContact CG2-CG2 4.03Å; I43-V56 HydrophobicContact CG2-CG1 3.64Å; I43-V56 HydrophobicContact CG2-CG2 4.05Å; T47-V56 HydrophobicContact CG2-CG1 4Å; A52-V56 WeakPolarHBondContact O-CB 3.43Å; A52-V56 VanDerWaalsContact O-CG2 3.26Å; A52-V56 WeakPolarHBondContact O-CG2 3.45Å; A52-V56 PolarHBondContact O-N 2.97Å; F53-V56 PolarHBondContact O-N 3.41Å; V56-M59 PolarHBondContact O-N 2.97Å; V56-V60 WeakPolarHBondContact O-CG2 3.37Å; V56-V60 PolarHBondContact O-N 2.78Å; V56-L84 HydrophobicContact CG1-CD1 4.02Å
57M96.8Very high95.1Very high0 Ų050.4 Ų50.40%028%0.281CS..Hα-helixtrans-68.8-40.6-175.9-67.2-61.1-66.200111.5F53 M59 V60 W61 L81 V92 Q95F53-M57 HydrophobicContact CD2-CG 4.16Å; F53-M57 HydrophobicContact CE1-CG 4.25Å; F53-M57 HydrophobicContact CE2-CG 3.78Å; F53-M57 HydrophobicContact CZ-CG 3.82Å; F53-M57 WeakPolarHBondContact O-CB 3.38Å; F53-M57 WeakPolarHBondContact O-CG 3.45Å; F53-M57 PolarHBondContact O-N 2.72Å; M57-M59 VanDerWaalsContact C-N 3.34Å; M57-M59 PolarHBondContact O-N 3.19Å; M57-V60 PolarHBondContact O-N 2.82Å; M57-W61 HydrophobicContact CE-CZ2 4.39Å; M57-W61 PolarHBondContact O-N 2.96Å; M57-L81 HydrophobicContact CE-CD1 4.09Å; M57-L81 HydrophobicContact SD-CD1 4.41Å; M57-V92 HydrophobicContact CE-CG1 4.11Å; M57-V92 HydrophobicContact SD-CG1 4.03Å; M57-V92 HydrophobicContact SD-CG2 4.23Å; M57-Q95 VanDerWaalsContact CB-OE1 3.25Å; M57-Q95 HydrophobicContact CE-CB 4.36Å; M57-Q95 HydrophobicContact CE-CG 4.42Å; M57-Q95 VanDerWaalsContact CG-OE1 3.29Å
58G95.8Very high94.6Very high40 Ų4051.6 Ų51.641%0.41229%0.293SS..Hα-helixtrans-58.5-43.5173.900000112.5A54 K62A54-G58 PolarHBondContact O-N 3.33Å; G58-K62 VanDerWaalsContact O-CB 3.29Å; G58-K62 WeakPolarHBondContact O-CB 3.24Å; G58-K62 PolarHBondContact O-N 3.49Å; G58-K62 VanDerWaalsContact O-N 3.07Å
59M95.8Very high94.3Very high7 Ų753.6 Ų53.63%0.03430%0.302CS..Hα-helixtrans-68.8-37.2175.3-168.961.859.700112.3Y17 E21 V24 R25 E55 V56 M57 R63Y17-M59 HydrophobicContact CE1-CE 4.48Å; E21-M59 HydrophobicContact CB-CE 4.03Å; E21-M59 HydrophobicContact CG-CE 3.88Å; E21-M59 WeakPolarHBondContact OE1-CE 3.36Å; V24-M59 HydrophobicContact CB-CB 4.17Å; V24-M59 HydrophobicContact CB-CG 3.9Å; V24-M59 HydrophobicContact CG1-CB 3.84Å; V24-M59 HydrophobicContact CG1-CG 3.56Å; R25-M59 HydrophobicContact CG-CE 4.05Å; R25-M59 HydrophobicContact CG-CG 3.91Å; R25-M59 HydrophobicContact CG-SD 3.55Å; R25-M59 VanDerWaalsContact CG-SD 3.55Å; E55-M59 WeakPolarHBondContact O-CB 3.42Å; E55-M59 PolarHBondContact O-N 3.47Å; V56-M59 PolarHBondContact O-N 2.97Å; M57-M59 VanDerWaalsContact C-N 3.34Å; M57-M59 PolarHBondContact O-N 3.19Å; M59-R63 WeakPolarHBondContact O-CG 3.38Å; M59-R63 PolarHBondContact O-N 3.47Å
60V97.5Very high94.1Very high0 Ų051.5 Ų51.50%029%0.29CS..Hα-helixtrans-63.3-49.9174.4168.20000111.3V24 V56 M57 K62 R63 L64 L80 L81V24-V60 HydrophobicContact CG1-CG2 3.83Å; V56-V60 WeakPolarHBondContact O-CG2 3.37Å; V56-V60 PolarHBondContact O-N 2.78Å; M57-V60 PolarHBondContact O-N 2.82Å; V60-K62 VanDerWaalsContact C-N 3.32Å; V60-K62 PolarHBondContact O-N 2.99Å; V60-R63 CarbonylContact O-C 3.57Å; V60-R63 WeakPolarHBondContact O-CA 3.37Å; V60-R63 WeakPolarHBondContact O-CB 3.37Å; V60-R63 PolarHBondContact O-N 2.85Å; V60-L64 HydrophobicContact CG1-CD1 3.84Å; V60-L64 HydrophobicContact CG1-CG 4.29Å; V60-L64 WeakPolarHBondContact O-CG 3.37Å; V60-L64 PolarHBondContact O-N 3.32Å; V60-L80 HydrophobicContact CG2-CD2 3.88Å; V60-L81 HydrophobicContact CG1-CB 4.38Å; V60-L81 HydrophobicContact CG1-CD1 4.33Å; V60-L81 HydrophobicContact CG1-CD2 4.45Å
61W96.5Very high94.2Very high33 Ų3348.9 Ų48.913%0.12527%0.271CS..Hα-helixtrans-60.8-40.8178.2-69.5119.8000112.4M57 R63 L64 N65 Q95 N99 T102 I103M57-W61 HydrophobicContact CE-CZ2 4.39Å; M57-W61 PolarHBondContact O-N 2.96Å; W61-R63 PolarHBondContact O-N 3.26Å; W61-L64 HydrophobicContact CD2-CD1 4.29Å; W61-L64 HydrophobicContact CE3-CD1 3.55Å; W61-L64 HydrophobicContact CZ3-CD1 3.71Å; W61-L64 PolarHBondContact O-N 3.41Å; W61-N65 PolarHBondContact O-N 3.01Å; W61-Q95 VanDerWaalsContact NE1-NE2 3.19Å; W61-N99 HydrophobicContact CH2-CB 3.53Å; W61-N99 HydrophobicContact CZ2-CB 3.6Å; W61-N99 HydrophobicContact CZ3-CB 4.14Å; W61-T102 HydrophobicContact CE3-CG2 4.04Å; W61-T102 HydrophobicContact CZ3-CG2 4Å; W61-I103 HydrophobicContact CH2-CD1 3.87Å; W61-I103 HydrophobicContact CH2-CG1 3.82Å; W61-I103 HydrophobicContact CZ3-CD1 4.37Å; W61-I103 HydrophobicContact CZ3-CG1 3.84Å
62K95.4Very high94.4Very high143 Ų14347.6 Ų47.662%0.62226%0.255SS*.Hα-helixtrans-59.4-26173.9-171.7169.2-173.2165.10113.4G58 V60G58-K62 VanDerWaalsContact O-CB 3.29Å; G58-K62 WeakPolarHBondContact O-CB 3.24Å; G58-K62 PolarHBondContact O-N 3.49Å; G58-K62 VanDerWaalsContact O-N 3.07Å; V60-K62 VanDerWaalsContact C-N 3.32Å; V60-K62 PolarHBondContact O-N 2.99Å
63R95.8Very high94.5Very high35 Ų3548.4 Ų48.413%0.13226%0.258CS..Hα-helixtrans-95.1-21.6177.7-65.2-67.7-156.1149.518113.9R25 T28 M59 V60 W61 H73 V74 A77R25-R63 PolarHBondContact O-NH2 3.15Å; T28-R63 HydrophobicContact CG2-CB 4.33Å; T28-R63 HydrophobicContact CG2-CG 4.33Å; T28-R63 WeakPolarHBondContact OG1-CG 3.26Å; T28-R63 PolarHBondContact OG1-NE 3.48Å; M59-R63 WeakPolarHBondContact O-CG 3.38Å; M59-R63 PolarHBondContact O-N 3.47Å; V60-R63 CarbonylContact O-C 3.57Å; V60-R63 WeakPolarHBondContact O-CA 3.37Å; V60-R63 WeakPolarHBondContact O-CB 3.37Å; V60-R63 PolarHBondContact O-N 2.85Å; W61-R63 PolarHBondContact O-N 3.26Å; R63-H73 PolarHBondContact NH1-CD2 3.48Å; R63-H73 VanDerWaalsContact NH1-CD2 3.26Å; R63-H73 PolarHBondContact NH1-CE1 3.39Å; R63-H73 PolarHBondContact NH1-ND1 2.63Å; R63-H73 PolarHBondContact NH1-NE2 3.19Å; R63-H73 VanDerWaalsContact NH1-NE2 3.11Å; R63-V74 WeakPolarHBondContact O-CA 3.41Å; R63-V74 PolarHBondContact O-N 2.89Å; R63-A77 HydrophobicContact CB-CB 3.81Å
64L95.7Very high94.5Very high1 Ų147.1 Ų47.11%0.00525%0.253CS..Hα-helixtrans-73.2-33.1169.2-71.6169.5000111.6V60 W61 D66 A77 L78 L81 L106V60-L64 HydrophobicContact CG1-CD1 3.84Å; V60-L64 HydrophobicContact CG1-CG 4.29Å; V60-L64 WeakPolarHBondContact O-CG 3.37Å; V60-L64 PolarHBondContact O-N 3.32Å; W61-L64 HydrophobicContact CD2-CD1 4.29Å; W61-L64 HydrophobicContact CE3-CD1 3.55Å; W61-L64 HydrophobicContact CZ3-CD1 3.71Å; W61-L64 PolarHBondContact O-N 3.41Å; L64-D66 VanDerWaalsContact C-N 3.26Å; L64-D66 PolarHBondContact O-N 2.94Å; L64-A77 HydrophobicContact CD2-CB 3.71Å; L64-A77 HydrophobicContact CG-CB 3.83Å; L64-L78 HydrophobicContact CD2-CB 4.4Å; L64-L78 HydrophobicContact CD2-CD2 3.64Å; L64-L78 HydrophobicContact CD2-CG 3.61Å; L64-L81 HydrophobicContact CD1-CD2 3.81Å; L64-L106 HydrophobicContact CB-CD1 4.29Å; L64-L106 HydrophobicContact CD2-CD1 3.85Å
65N94.6Very high94.5Very high128 Ų12847.7 Ų47.768%0.68424%0.242SC*.THydrogen-bonded Turntrans-84.39.9176.9-155.754.9000114.1W61W61-N65 PolarHBondContact O-N 3.01Å
66D93.1Very high94.6Very high34 Ų3445 Ų4518%0.18223%0.229CC..  trans-67.6157.4166.4-109.6-42.6000110.1L64 N70 H73 V74L64-D66 VanDerWaalsContact C-N 3.26Å; L64-D66 PolarHBondContact O-N 2.94Å; D66-N70 HydrophobicContact CB-CB 3.89Å; D66-N70 WeakPolarHBondContact OD1-CB 3.46Å; D66-N70 PolarHBondContact OD1-ND2 3.28Å; D66-H73 HydrophobicContact CB-CB 4.19Å; D66-H73 WeakPolarHBondContact OD2-CB 3.38Å; D66-H73 IonicContact OD2-CE1 3.33Å; D66-H73 IonicContact OD2-CG 2.7Å; D66-H73 IonicContact OD2-ND1 2.65Å; D66-H73 PolarHBondContact OD2-ND1 3.13Å; D66-V74 HydrophobicContact CB-CG2 3.74Å; D66-V74 VanDerWaalsContact O-CG2 3.23Å; D66-V74 WeakPolarHBondContact O-CG2 3.23Å
67S87.9Confident94.6Very high84 Ų8445 Ų4559%0.58723%0.229SC*.  trans-142.5155.1-173.3-80.20000114.9K69 N70S67-K69 PolarHBondContact O-N 3.01Å; S67-N70 PolarHBondContact O-N 3.02Å
68G86.7Confident94.6Very high25 Ų2545 Ų4526%0.25823%0.229SC..G310 helixtrans54.3-115.9176.500000113N70 W71G68-N70 PolarHBondContact O-N 3.17Å; G68-W71 WeakPolarHBondContact O-CB 3.26Å; G68-W71 PolarHBondContact O-N 3.33Å
69K88.8Confident94.7Very high158 Ų15844.1 Ų44.169%0.68722%0.215SC*.G310 helixtrans-54.6-19.7-178.171.2-174.9-178.4-173.40115S67 W71 Y111S67-K69 PolarHBondContact O-N 3.01Å; K69-W71 VanDerWaalsContact C-N 3.3Å; K69-W71 PolarHBondContact O-N 2.99Å; K69-Y111 HydrophobicContact CB-CE2 4.34Å
70N92.7Very high94.8Very high43 Ų4343.8 Ų43.823%0.2321%0.214CC..G310 helixtrans-88.514.9177.4-70.5-0.3000113.4D66 S67 G68 R72 H73D66-N70 HydrophobicContact CB-CB 3.89Å; D66-N70 WeakPolarHBondContact OD1-CB 3.46Å; D66-N70 PolarHBondContact OD1-ND2 3.28Å; S67-N70 PolarHBondContact O-N 3.02Å; G68-N70 PolarHBondContact O-N 3.17Å; N70-R72 PolarHBondContact O-N 3.42Å; N70-H73 WeakPolarHBondContact O-CB 2.99Å; N70-H73 PolarHBondContact O-N 2.87Å
71W94.4Very high94.8Very high31 Ų3143.8 Ų43.812%0.11721%0.214CC..Hα-helixtrans-46-32.5-17869.1-92.2000115.2G68 K69 H73 V74 Y75 F109 Y111 Q119G68-W71 WeakPolarHBondContact O-CB 3.26Å; G68-W71 PolarHBondContact O-N 3.33Å; K69-W71 VanDerWaalsContact C-N 3.3Å; K69-W71 PolarHBondContact O-N 2.99Å; W71-H73 VanDerWaalsContact C-N 3.35Å; W71-H73 PolarHBondContact O-N 3.43Å; W71-V74 PolarHBondContact O-N 2.65Å; W71-Y75 WeakPolarHBondContact O-CB 3.29Å; W71-Y75 PolarHBondContact O-N 3.06Å; W71-F109 HydrophobicContact CB-CE1 3.82Å; W71-F109 HydrophobicContact CB-CZ 3.92Å; W71-Y111 HydrophobicContact CB-CD1 4.26Å; W71-Y111 AromaticContact CD1-CD1 3.22Å; W71-Y111 AromaticContact CD1-CE1 3.35Å; W71-Y111 AromaticContact CG-CD1 3.89Å; W71-Y111 HydrophobicContact CG-CD1 3.89Å; W71-Y111 HydrophobicContact CG-CE1 4.4Å; W71-Y111 AromaticContact NE1-CD1 3.82Å; W71-Y111 AromaticContact NE1-CE1 3.63Å; W71-Q119 HydrophobicContact CD2-CB 3.66Å; W71-Q119 HydrophobicContact CD2-CG 4.27Å; W71-Q119 HydrophobicContact CE3-CB 4.03Å; W71-Q119 HydrophobicContact CG-CB 4.07Å; W71-Q119 HydrophobicContact CH2-CB 4.23Å; W71-Q119 HydrophobicContact CH2-CG 4.36Å; W71-Q119 HydrophobicContact CZ2-CB 3.88Å; W71-Q119 VanDerWaalsContact CZ2-CD 3.46Å; W71-Q119 HydrophobicContact CZ2-CG 3.71Å; W71-Q119 HydrophobicContact CZ3-CB 4.3Å
72R95.6Very high94.8Very high73 Ų7343.7 Ų43.728%0.27522%0.216SC..Hα-helixtrans-63.5-37.5176.2-66.6-172.2-179.8168.21.8112.8N30 N70 K76N30-R72 VanDerWaalsContact O-CD 3.26Å; N30-R72 WeakPolarHBondContact O-CD 3.28Å; N30-R72 PolarHBondContact O-NH1 3.08Å; N30-R72 WeakPolarHBondContact OD1-CB 3.28Å; N30-R72 WeakPolarHBondContact OD1-CD 3.43Å; N70-R72 PolarHBondContact O-N 3.42Å; R72-K76 WeakPolarHBondContact O-CB 3.39Å; R72-K76 VanDerWaalsContact O-CG 3.29Å; R72-K76 WeakPolarHBondContact O-CG 3.33Å; R72-K76 PolarHBondContact O-N 2.93Å
73H96Very high94.8Very high24 Ų2439.3 Ų39.311%0.11120%0.196CC..Hα-helixtrans-62.5-47.2175-60.4160.4000110.4T28 R63 D66 N70 W71 K76 A77T28-H73 PolarHBondContact O-CD2 2.81Å; R63-H73 PolarHBondContact NH1-CD2 3.48Å; R63-H73 VanDerWaalsContact NH1-CD2 3.26Å; R63-H73 PolarHBondContact NH1-CE1 3.39Å; R63-H73 PolarHBondContact NH1-ND1 2.63Å; R63-H73 PolarHBondContact NH1-NE2 3.19Å; R63-H73 VanDerWaalsContact NH1-NE2 3.11Å; D66-H73 HydrophobicContact CB-CB 4.19Å; D66-H73 WeakPolarHBondContact OD2-CB 3.38Å; D66-H73 IonicContact OD2-CE1 3.33Å; D66-H73 IonicContact OD2-CG 2.7Å; D66-H73 IonicContact OD2-ND1 2.65Å; D66-H73 PolarHBondContact OD2-ND1 3.13Å; N70-H73 WeakPolarHBondContact O-CB 2.99Å; N70-H73 PolarHBondContact O-N 2.87Å; W71-H73 VanDerWaalsContact C-N 3.35Å; W71-H73 PolarHBondContact O-N 3.43Å; H73-K76 PolarHBondContact O-N 3.12Å; H73-A77 WeakPolarHBondContact O-CB 3.48Å; H73-A77 PolarHBondContact O-N 3.14Å
74V96.4Very high94.9Very high0 Ų037.7 Ų37.70%019%0.189CC..Hα-helixtrans-61.9-49.7178.4-172.60000111R63 D66 W71 K76 A77 L78 L106 F109 V123R63-V74 WeakPolarHBondContact O-CA 3.41Å; R63-V74 PolarHBondContact O-N 2.89Å; D66-V74 HydrophobicContact CB-CG2 3.74Å; D66-V74 VanDerWaalsContact O-CG2 3.23Å; D66-V74 WeakPolarHBondContact O-CG2 3.23Å; W71-V74 PolarHBondContact O-N 2.65Å; V74-K76 PolarHBondContact O-N 3.02Å; V74-A77 PolarHBondContact O-N 3.07Å; V74-L78 HydrophobicContact CG1-CD1 4.48Å; V74-L78 WeakPolarHBondContact O-CG 3.44Å; V74-L78 PolarHBondContact O-N 3.4Å; V74-L106 HydrophobicContact CG1-CD1 3.91Å; V74-L106 HydrophobicContact CG1-CD2 3.81Å; V74-L106 HydrophobicContact CG1-CG 4.45Å; V74-F109 HydrophobicContact CG1-CE2 4.47Å; V74-F109 HydrophobicContact CG2-CE2 4.07Å; V74-F109 HydrophobicContact CG2-CZ 4.42Å; V74-V123 HydrophobicContact CG1-CG1 3.76Å
75Y96.6Very high94.9Very high78 Ų7837.6 Ų37.631%0.30619%0.189SC..Hα-helixtrans-61.8-41.2179.1-178-103.4000112.8W71 T79 N122 K126W71-Y75 WeakPolarHBondContact O-CB 3.29Å; W71-Y75 PolarHBondContact O-N 3.06Å; Y75-T79 WeakPolarHBondContact O-CB 3.41Å; Y75-T79 PolarHBondContact O-N 3.07Å; Y75-T79 PolarHBondContact O-OG1 3.02Å; Y75-N122 HydrophobicContact CD2-CB 4.13Å; Y75-N122 HydrophobicContact CE2-CB 3.99Å; Y75-N122 WeakPolarHBondContact CE2-O 3.37Å; Y75-K126 HydrophobicContact CD2-CD 4.47Å; Y75-K126 HydrophobicContact CE2-CB 4.22Å; Y75-K126 HydrophobicContact CE2-CD 3.88Å
76K97Very high94.9Very high8 Ų833.7 Ų33.74%0.03517%0.166CC..Hα-helixtrans-73.9-32.8176-68.8-168.3-156-172.80112.7A27 S29 D31 W33 R72 H73 V74 T79 L80A27-K76 WeakPolarHBondContact O-CD 3.25Å; S29-K76 WeakPolarHBondContact O-CD 3.44Å; S29-K76 WeakPolarHBondContact O-CE 3.39Å; S29-K76 PolarHBondContact O-NZ 2.86Å; S29-K76 PolarHBondContact OG-NZ 3.39Å; D31-K76 VanDerWaalsContact O-CE 3.25Å; D31-K76 WeakPolarHBondContact O-CE 3.46Å; D31-K76 PolarHBondContact O-NZ 2.91Å; W33-K76 WeakPolarHBondContact O-CE 3.48Å; W33-K76 PolarHBondContact O-NZ 3.46Å; R72-K76 WeakPolarHBondContact O-CB 3.39Å; R72-K76 VanDerWaalsContact O-CG 3.29Å; R72-K76 WeakPolarHBondContact O-CG 3.33Å; R72-K76 PolarHBondContact O-N 2.93Å; H73-K76 PolarHBondContact O-N 3.12Å; V74-K76 PolarHBondContact O-N 3.02Å; K76-T79 WeakPolarHBondContact O-CB 3.33Å; K76-T79 PolarHBondContact O-N 3.28Å; K76-L80 WeakPolarHBondContact O-CB 3.33Å; K76-L80 PolarHBondContact O-N 3.48Å
77A97.6Very high95Very high0 Ų032.3 Ų32.30%016%0.159CC..Hα-helixtrans-66.3-42.717300000111.2T28 R63 L64 H73 V74 T79 L80 L81T28-A77 HydrophobicContact CG2-CB 4.01Å; R63-A77 HydrophobicContact CB-CB 3.81Å; L64-A77 HydrophobicContact CD2-CB 3.71Å; L64-A77 HydrophobicContact CG-CB 3.83Å; H73-A77 WeakPolarHBondContact O-CB 3.48Å; H73-A77 PolarHBondContact O-N 3.14Å; V74-A77 PolarHBondContact O-N 3.07Å; A77-T79 VanDerWaalsContact C-N 3.28Å; A77-T79 PolarHBondContact O-N 3.13Å; A77-L80 PolarHBondContact O-N 3.31Å; A77-L81 VanDerWaalsContact O-CB 3.23Å; A77-L81 WeakPolarHBondContact O-CB 3.2Å; A77-L81 PolarHBondContact O-N 2.85Å
78L97Very high95.3Very high0 Ų028.3 Ų28.30%013%0.131CC..Hα-helixtrans-61.1-35.5169.1-74173.6000112.4L64 V74 D82 I103 L106 V123 K126 A127 L130L64-L78 HydrophobicContact CD2-CB 4.4Å; L64-L78 HydrophobicContact CD2-CD2 3.64Å; L64-L78 HydrophobicContact CD2-CG 3.61Å; V74-L78 HydrophobicContact CG1-CD1 4.48Å; V74-L78 WeakPolarHBondContact O-CG 3.44Å; V74-L78 PolarHBondContact O-N 3.4Å; L78-D82 WeakPolarHBondContact O-CB 3.39Å; L78-D82 PolarHBondContact O-N 3.11Å; L78-I103 HydrophobicContact CD2-CG2 4.25Å; L78-L106 HydrophobicContact CD1-CD1 4.27Å; L78-L106 HydrophobicContact CD2-CD1 4.02Å; L78-L106 HydrophobicContact CG-CD1 4.27Å; L78-V123 HydrophobicContact CD1-CG1 3.9Å; L78-K126 HydrophobicContact CB-CD 4.41Å; L78-K126 HydrophobicContact CB-CG 4.23Å; L78-K126 HydrophobicContact CD1-CB 4.43Å; L78-A127 HydrophobicContact CD1-CB 4.14Å; L78-L130 HydrophobicContact CD2-CD2 3.8Å
79T97Very high95.7Very high21 Ų2127.7 Ų27.713%0.12912%0.122CC..Hα-helixtrans-69.3-44.1177.2-63.50000112.7P35 M40 Y75 K76 A77 Y83 K126P35-T79 HydrophobicContact CG-CG2 3.95Å; M40-T79 HydrophobicContact SD-CG2 4.39Å; Y75-T79 WeakPolarHBondContact O-CB 3.41Å; Y75-T79 PolarHBondContact O-N 3.07Å; Y75-T79 PolarHBondContact O-OG1 3.02Å; K76-T79 WeakPolarHBondContact O-CB 3.33Å; K76-T79 PolarHBondContact O-N 3.28Å; A77-T79 VanDerWaalsContact C-N 3.28Å; A77-T79 PolarHBondContact O-N 3.13Å; T79-Y83 PolarHBondContact O-N 3.1Å; T79-K126 WeakPolarHBondContact OG1-CE 3.28Å; T79-K126 PolarHBondContact OG1-NZ 2.87Å
80L97.8Very high96Very high0 Ų026.4 Ų26.40%012%0.119CC..Hα-helixtrans-64.3-44.2173.1177.660.2000110.2V24 A27 T28 M40 I43 V60 K76 A77 D82 Y83 L84V24-L80 HydrophobicContact CG1-CD2 4.05Å; V24-L80 HydrophobicContact CG2-CD2 4.26Å; A27-L80 HydrophobicContact CB-CD2 4.14Å; T28-L80 HydrophobicContact CG2-CD2 4.35Å; M40-L80 HydrophobicContact CB-CD1 4.36Å; M40-L80 HydrophobicContact CG-CD1 4.04Å; I43-L80 HydrophobicContact CB-CD1 4.25Å; I43-L80 HydrophobicContact CD1-CD1 3.94Å; I43-L80 HydrophobicContact CD1-CD2 4.04Å; I43-L80 HydrophobicContact CG2-CD1 4.14Å; I43-L80 HydrophobicContact CG2-CD2 4.37Å; V60-L80 HydrophobicContact CG2-CD2 3.88Å; K76-L80 WeakPolarHBondContact O-CB 3.33Å; K76-L80 PolarHBondContact O-N 3.48Å; A77-L80 PolarHBondContact O-N 3.31Å; L80-D82 PolarHBondContact O-N 3.48Å; L80-Y83 WeakPolarHBondContact O-CB 3.38Å; L80-Y83 PolarHBondContact O-N 2.81Å; L80-Y83 VanDerWaalsContact O-N 3.15Å; L80-L84 HydrophobicContact CD1-CD1 4.24Å; L80-L84 HydrophobicContact CD1-CD2 4.37Å; L80-L84 HydrophobicContact CD1-CG 4.07Å; L80-L84 HydrophobicContact CG-CD1 3.97Å; L80-L84 HydrophobicContact CG-CG 4.21Å; L80-L84 VanDerWaalsContact O-CG 3.3Å; L80-L84 WeakPolarHBondContact O-CG 3.43Å; L80-L84 PolarHBondContact O-N 3.27Å
81L97.4Very high96Very high0 Ų030.7 Ų30.70%013%0.132CC..Hα-helixtrans-64.5-40.9-178-168.356.4000112.8M57 V60 L64 A77 Y83 L84 L85 V92 I103 L130M57-L81 HydrophobicContact CE-CD1 4.09Å; M57-L81 HydrophobicContact SD-CD1 4.41Å; V60-L81 HydrophobicContact CG1-CB 4.38Å; V60-L81 HydrophobicContact CG1-CD1 4.33Å; V60-L81 HydrophobicContact CG1-CD2 4.45Å; L64-L81 HydrophobicContact CD1-CD2 3.81Å; A77-L81 VanDerWaalsContact O-CB 3.23Å; A77-L81 WeakPolarHBondContact O-CB 3.2Å; A77-L81 PolarHBondContact O-N 2.85Å; L81-Y83 VanDerWaalsContact C-N 3.3Å; L81-Y83 PolarHBondContact O-N 3.24Å; L81-L84 PolarHBondContact O-N 3.45Å; L81-L85 HydrophobicContact CD1-CD1 4.03Å; L81-L85 HydrophobicContact CG-CD1 3.96Å; L81-L85 VanDerWaalsContact O-CD1 3.23Å; L81-L85 WeakPolarHBondContact O-CD1 3.37Å; L81-L85 PolarHBondContact O-N 3.3Å; L81-V92 HydrophobicContact CD1-CG1 3.88Å; L81-I103 HydrophobicContact CD2-CD1 4.04Å; L81-L130 HydrophobicContact CB-CD2 4.37Å; L81-L130 HydrophobicContact CD2-CD2 4.06Å; L81-L130 HydrophobicContact CG-CD2 4.22Å
82D96.6Very high96.1Very high31 Ų3129.2 Ų29.217%0.16613%0.126CC..Hα-helixtrans-57.5-41171.9179.273.4000112.4L78 L80 K86 L130L78-D82 WeakPolarHBondContact O-CB 3.39Å; L78-D82 PolarHBondContact O-N 3.11Å; L80-D82 PolarHBondContact O-N 3.48Å; D82-K86 WeakPolarHBondContact O-CD 3.39Å; D82-K86 WeakPolarHBondContact O-CG 3.32Å; D82-K86 PolarHBondContact O-N 3.36Å; D82-K86 VanDerWaalsContact OD1-CE 3.26Å; D82-K86 WeakPolarHBondContact OD1-CE 3.3Å; D82-K86 IonicContact OD1-NZ 2.78Å; D82-K86 PolarHBondContact OD1-NZ 2.89Å; D82-K86 IonicContact OD2-NZ 3.19Å; D82-K86 PolarHBondContact OD2-NZ 3.22Å; D82-L130 HydrophobicContact CB-CD1 4.1Å
83Y96.6Very high96.1Very high52 Ų5226.1 Ų26.120%0.20412%0.116CC..Hα-helixtrans-68.8-44.8175.3-174.2-91.1000111.8M40 A44 T79 L80 L81 L85 K86 T87M40-Y83 HydrophobicContact CB-CD1 3.61Å; M40-Y83 HydrophobicContact CB-CD2 4.47Å; M40-Y83 HydrophobicContact CB-CE1 3.75Å; M40-Y83 HydrophobicContact CB-CG 4Å; M40-Y83 HydrophobicContact CE-CD2 4.42Å; M40-Y83 VanDerWaalsContact O-CE1 3.26Å; M40-Y83 WeakPolarHBondContact O-CE1 3.4Å; M40-Y83 HydrophobicContact SD-CG 4.26Å; A44-Y83 HydrophobicContact CB-CD1 4.36Å; A44-Y83 HydrophobicContact CB-CE1 3.95Å; T79-Y83 PolarHBondContact O-N 3.1Å; L80-Y83 WeakPolarHBondContact O-CB 3.38Å; L80-Y83 PolarHBondContact O-N 2.81Å; L80-Y83 VanDerWaalsContact O-N 3.15Å; L81-Y83 VanDerWaalsContact C-N 3.3Å; L81-Y83 PolarHBondContact O-N 3.24Å; Y83-L85 VanDerWaalsContact C-N 3.32Å; Y83-L85 PolarHBondContact O-N 3.08Å; Y83-K86 PolarHBondContact O-N 3.49Å; Y83-T87 WeakPolarHBondContact CD1-OG1 3.44Å; Y83-T87 HydrophobicContact CE1-CG2 4.48Å; Y83-T87 WeakPolarHBondContact CE1-OG1 3.45Å; Y83-T87 HydrophobicContact CE2-CG2 4.31Å; Y83-T87 PolarHBondContact O-N 2.89Å; Y83-T87 PolarHBondContact O-OG1 3.14Å
84L96.7Very high96Very high0 Ų028.9 Ų28.90%013%0.129CC..Hα-helixtrans-62.6-36177.5-66.1179.8000112.6I43 A44 T47 V56 L80 L81 K86 G88 V92I43-L84 HydrophobicContact CG2-CD1 4.3Å; I43-L84 HydrophobicContact CG2-CD2 4.1Å; A44-L84 HydrophobicContact CB-CD2 3.72Å; T47-L84 HydrophobicContact CG2-CD1 4.32Å; T47-L84 HydrophobicContact CG2-CD2 3.93Å; V56-L84 HydrophobicContact CG1-CD1 4.02Å; L80-L84 HydrophobicContact CD1-CD1 4.24Å; L80-L84 HydrophobicContact CD1-CD2 4.37Å; L80-L84 HydrophobicContact CD1-CG 4.07Å; L80-L84 HydrophobicContact CG-CD1 3.97Å; L80-L84 HydrophobicContact CG-CG 4.21Å; L80-L84 VanDerWaalsContact O-CG 3.3Å; L80-L84 WeakPolarHBondContact O-CG 3.43Å; L80-L84 PolarHBondContact O-N 3.27Å; L81-L84 PolarHBondContact O-N 3.45Å; L84-K86 PolarHBondContact O-N 3.35Å; L84-G88 VanDerWaalsContact O-CA 3.29Å; L84-G88 WeakPolarHBondContact O-CA 3.27Å; L84-G88 PolarHBondContact O-N 3.4Å; L84-V92 HydrophobicContact CB-CG1 3.9Å; L84-V92 HydrophobicContact CB-CG2 4.4Å
85L96.1Very high96Very high0 Ų030.9 Ų30.90%014%0.138CC..Hα-helixtrans-57.6-35.5170.7-10478.8000112.2L81 Y83 V92 C96 L130 L133 L134 L140 R144L81-L85 HydrophobicContact CD1-CD1 4.03Å; L81-L85 HydrophobicContact CG-CD1 3.96Å; L81-L85 VanDerWaalsContact O-CD1 3.23Å; L81-L85 WeakPolarHBondContact O-CD1 3.37Å; L81-L85 PolarHBondContact O-N 3.3Å; Y83-L85 VanDerWaalsContact C-N 3.32Å; Y83-L85 PolarHBondContact O-N 3.08Å; L85-V92 HydrophobicContact CD1-CG1 4.03Å; L85-C96 HydrophobicContact CD1-CB 4.32Å; L85-L130 HydrophobicContact CD1-CD1 4.34Å; L85-L130 HydrophobicContact CD2-CD1 3.77Å; L85-L133 HydrophobicContact CD2-CD2 4.17Å; L85-L133 HydrophobicContact CD2-CG 4.43Å; L85-L134 HydrophobicContact CD2-CD2 3.78Å; L85-L134 HydrophobicContact CD2-CG 3.89Å; L85-L140 HydrophobicContact CB-CD1 4.19Å; L85-L140 HydrophobicContact CD2-CD1 4.09Å; L85-L140 HydrophobicContact CD2-CD2 4.24Å; L85-L140 HydrophobicContact CG-CD1 4.41Å; L85-R144 VanDerWaalsContact O-CD 3.25Å; L85-R144 WeakPolarHBondContact O-CD 3.35Å; L85-R144 WeakPolarHBondContact O-CG 3.39Å; L85-R144 PolarHBondContact O-NH1 2.96Å
86K95.3Very high95.9Very high45 Ų4527.1 Ų27.120%0.19612%0.124CC..Hα-helixtrans-90.8-32.5-173.2-68.1166.5-167.9171.90113.6D82 Y83 L84 E143 R144 A147D82-K86 WeakPolarHBondContact O-CD 3.39Å; D82-K86 WeakPolarHBondContact O-CG 3.32Å; D82-K86 PolarHBondContact O-N 3.36Å; D82-K86 VanDerWaalsContact OD1-CE 3.26Å; D82-K86 WeakPolarHBondContact OD1-CE 3.3Å; D82-K86 IonicContact OD1-NZ 2.78Å; D82-K86 PolarHBondContact OD1-NZ 2.89Å; D82-K86 IonicContact OD2-NZ 3.19Å; D82-K86 PolarHBondContact OD2-NZ 3.22Å; Y83-K86 PolarHBondContact O-N 3.49Å; L84-K86 PolarHBondContact O-N 3.35Å; K86-E143 WeakPolarHBondContact CE-OE2 3.47Å; K86-E143 IonicContact NZ-OE2 3.45Å; K86-R144 WeakPolarHBondContact O-CA 3.41Å; K86-A147 HydrophobicContact CB-CB 4Å
87T95.1Very high95.8Very high5 Ų530.7 Ų30.73%0.03114%0.137CC..Hα-helixtrans-129.7-7.6-174.163.90000115.5Y83 A147Y83-T87 WeakPolarHBondContact CD1-OG1 3.44Å; Y83-T87 HydrophobicContact CE1-CG2 4.48Å; Y83-T87 WeakPolarHBondContact CE1-OG1 3.45Å; Y83-T87 HydrophobicContact CE2-CG2 4.31Å; Y83-T87 PolarHBondContact O-N 2.89Å; Y83-T87 PolarHBondContact O-OG1 3.14Å; T87-A147 HydrophobicContact CG2-CB 3.87Å
88G94.4Very high95.6Very high0 Ų036.5 Ų36.50%016%0.164CC..SBendtrans-87.1-174.1176.400000113.2T47 L84 R144T47-G88 WeakPolarHBondContact OG1-CA 3.35Å; L84-G88 VanDerWaalsContact O-CA 3.29Å; L84-G88 WeakPolarHBondContact O-CA 3.27Å; L84-G88 PolarHBondContact O-N 3.4Å; G88-R144 VanDerWaalsContact O-CZ 3.31Å; G88-R144 PolarHBondContact O-NH1 2.68Å; G88-R144 PolarHBondContact O-NH2 3.2Å
89S95.6Very high95.4Very high12 Ų1239.3 Ų39.38%0.08418%0.179CC..  trans-58.4144.6175.2178.90000112.5T47 R91 V92T47-S89 WeakPolarHBondContact O-CB 3.32Å; T47-S89 PolarHBondContact OG1-N 3.4Å; S89-R91 PolarHBondContact O-N 3.48Å; S89-R91 VanDerWaalsContact O-N 3.13Å; S89-V92 WeakPolarHBondContact O-CB 3.17Å; S89-V92 WeakPolarHBondContact O-CG2 3.11Å; S89-V92 PolarHBondContact O-N 2.91Å
90E93.3Very high95.2Very high131 Ų13139.5 Ų39.561%0.61218%0.183SC*.Hα-helixtrans-61.3-22.7178.3-66-172.9153.600112.8V92 A93 Q94E90-V92 PolarHBondContact O-N 3.5Å; E90-A93 WeakPolarHBondContact O-CB 3.3Å; E90-A93 PolarHBondContact O-N 3.42Å; E90-A93 VanDerWaalsContact O-N 3.07Å; E90-Q94 PolarHBondContact O-N 3.27Å
91R94.4Very high95.1Very high134 Ų13446.9 Ų46.951%0.50622%0.215SC..Hα-helixtrans-57.1-28.9171.9-60.3-176.3-176.8-162.80.8112.9F53 S89 Q94 Q95F53-R91 HydrophobicContact CD2-CB 4.22Å; F53-R91 HydrophobicContact CE1-CB 4.3Å; F53-R91 HydrophobicContact CE2-CB 3.54Å; F53-R91 HydrophobicContact CZ-CB 3.59Å; S89-R91 PolarHBondContact O-N 3.48Å; S89-R91 VanDerWaalsContact O-N 3.13Å; R91-Q94 PolarHBondContact O-N 2.9Å; R91-Q95 PolarHBondContact O-N 2.7Å
92V96.3Very high94.9Very high0 Ų049.1 Ų49.10%023%0.229CC..Hα-helixtrans-62.9-47.8175.1-179.60000110.2T47 F53 M57 L81 L84 L85 S89 E90 Q94 Q95 C96T47-V92 HydrophobicContact CG2-CG2 4Å; F53-V92 HydrophobicContact CD2-CG2 4.41Å; F53-V92 HydrophobicContact CE2-CG2 3.81Å; M57-V92 HydrophobicContact CE-CG1 4.11Å; M57-V92 HydrophobicContact SD-CG1 4.03Å; M57-V92 HydrophobicContact SD-CG2 4.23Å; L81-V92 HydrophobicContact CD1-CG1 3.88Å; L84-V92 HydrophobicContact CB-CG1 3.9Å; L84-V92 HydrophobicContact CB-CG2 4.4Å; L85-V92 HydrophobicContact CD1-CG1 4.03Å; S89-V92 WeakPolarHBondContact O-CB 3.17Å; S89-V92 WeakPolarHBondContact O-CG2 3.11Å; S89-V92 PolarHBondContact O-N 2.91Å; E90-V92 PolarHBondContact O-N 3.5Å; V92-Q94 VanDerWaalsContact C-N 3.34Å; V92-Q94 PolarHBondContact O-N 3.46Å; V92-Q95 PolarHBondContact O-N 3.44Å; V92-C96 WeakPolarHBondContact O-CB 3.49Å; V92-C96 PolarHBondContact O-N 3.5Å; V92-C96 PolarHBondContact O-SG 2.9Å
93A94.8Very high94.8Very high7 Ų747.6 Ų47.66%0.05822%0.221CC..Hα-helixtrans-62.6-43.3179.800000111.1E90 C96 R97 L140E90-A93 WeakPolarHBondContact O-CB 3.3Å; E90-A93 PolarHBondContact O-N 3.42Å; E90-A93 VanDerWaalsContact O-N 3.07Å; A93-C96 PolarHBondContact O-N 3.32Å; A93-R97 PolarHBondContact O-N 3.35Å; A93-L140 HydrophobicContact CB-CD2 4Å
94Q94.4Very high94.8Very high82 Ų8247.9 Ų47.938%0.38322%0.224SC..Hα-helixtrans-58.7-53.1176.5179.856.72300112.3E90 R91 V92 C96 R97 E98E90-Q94 PolarHBondContact O-N 3.27Å; R91-Q94 PolarHBondContact O-N 2.9Å; V92-Q94 VanDerWaalsContact C-N 3.34Å; V92-Q94 PolarHBondContact O-N 3.46Å; Q94-C96 PolarHBondContact O-N 3.18Å; Q94-R97 WeakPolarHBondContact O-CB 3.48Å; Q94-R97 PolarHBondContact O-N 2.88Å; Q94-E98 WeakPolarHBondContact CG-OE1 3.47Å; Q94-E98 PolarHBondContact NE2-OE1 3.44Å; Q94-E98 PolarHBondContact O-N 2.79Å; Q94-E98 VanDerWaalsContact O-N 3.1Å
95Q95.2Very high94.7Very high42 Ų4251 Ų5120%0.19624%0.243CC..Hα-helixtrans-62.5-29.9179.4-168.9-179.22.400112.6F53 M57 W61 R91 V92 N99F53-Q95 HydrophobicContact CZ-CB 4.5Å; F53-Q95 VanDerWaalsContact CZ-OE1 3.32Å; M57-Q95 VanDerWaalsContact CB-OE1 3.25Å; M57-Q95 HydrophobicContact CE-CB 4.36Å; M57-Q95 HydrophobicContact CE-CG 4.42Å; M57-Q95 VanDerWaalsContact CG-OE1 3.29Å; W61-Q95 VanDerWaalsContact NE1-NE2 3.19Å; R91-Q95 PolarHBondContact O-N 2.7Å; V92-Q95 PolarHBondContact O-N 3.44Å; Q95-N99 WeakPolarHBondContact O-CB 3.36Å; Q95-N99 PolarHBondContact O-N 3.49Å; Q95-N99 PolarHBondContact O-ND2 2.93Å
96C95.8Very high94.7Very high0 Ų051.6 Ų51.60%025%0.246CC..Hα-helixtrans-74.4-25.8175.3-67.50000113.9L85 V92 A93 Q94 A100 I103 L134L85-C96 HydrophobicContact CD1-CB 4.32Å; V92-C96 WeakPolarHBondContact O-CB 3.49Å; V92-C96 PolarHBondContact O-N 3.5Å; V92-C96 PolarHBondContact O-SG 2.9Å; A93-C96 PolarHBondContact O-N 3.32Å; Q94-C96 PolarHBondContact O-N 3.18Å; C96-A100 VanDerWaalsContact O-CA 3.23Å; C96-A100 WeakPolarHBondContact O-CA 3.49Å; C96-A100 WeakPolarHBondContact O-CB 3.47Å; C96-A100 PolarHBondContact O-N 3.46Å; C96-A100 VanDerWaalsContact O-N 3.07Å; C96-I103 HydrophobicContact CB-CD1 4.1Å; C96-L134 HydrophobicContact CB-CD1 3.99Å; C96-L134 HydrophobicContact CB-CD2 3.64Å; C96-L134 HydrophobicContact CB-CG 4.48Å
97R93.6Very high94.7Very high82 Ų8253 Ų5331%0.30925%0.25SS..Hα-helixtrans-72.8-47.4170-70.7-174-68.1-131.37.2111.1A93 Q94 N99 A100 L134 E137A93-R97 PolarHBondContact O-N 3.35Å; Q94-R97 WeakPolarHBondContact O-CB 3.48Å; Q94-R97 PolarHBondContact O-N 2.88Å; R97-N99 PolarHBondContact O-N 2.87Å; R97-A100 WeakPolarHBondContact O-CB 3.46Å; R97-A100 PolarHBondContact O-N 2.89Å; R97-A100 VanDerWaalsContact O-N 3.14Å; R97-L134 HydrophobicContact CG-CD2 4.2Å; R97-E137 IonicContact CZ-OE1 2.71Å; R97-E137 IonicContact CZ-OE2 2.69Å; R97-E137 IonicContact NH1-OE1 3.63Å; R97-E137 PolarHBondContact NH1-OE1 2.94Å; R97-E137 IonicContact NH1-OE2 2.74Å; R97-E137 PolarHBondContact NH1-OE2 3.42Å; R97-E137 IonicContact NH2-OE1 3.76Å
98E94.3Very high94.7Very high123 Ų12357.9 Ų57.958%0.57528%0.276SS*.Hα-helixtrans-55.7-41175.8-68.3162-175.800111.8Q94Q94-E98 WeakPolarHBondContact CG-OE1 3.47Å; Q94-E98 PolarHBondContact NE2-OE1 3.44Å; Q94-E98 PolarHBondContact O-N 2.79Å; Q94-E98 VanDerWaalsContact O-N 3.1Å
99N93.3Very high94.7Very high59 Ų5958.9 Ų58.932%0.31628%0.28SS..THydrogen-bonded Turntrans-102.322.1-179-63.8-89.3000113W61 Q95 R97 F101 T102W61-N99 HydrophobicContact CH2-CB 3.53Å; W61-N99 HydrophobicContact CZ2-CB 3.6Å; W61-N99 HydrophobicContact CZ3-CB 4.14Å; Q95-N99 WeakPolarHBondContact O-CB 3.36Å; Q95-N99 PolarHBondContact O-N 3.49Å; Q95-N99 PolarHBondContact O-ND2 2.93Å; R97-N99 PolarHBondContact O-N 2.87Å; N99-F101 PolarHBondContact O-N 3.07Å; N99-F101 VanDerWaalsContact O-N 3.07Å; N99-T102 WeakPolarHBondContact O-CB 3.28Å; N99-T102 PolarHBondContact O-N 3.09Å
100A92.9Very high94.6Very high24 Ų2465.5 Ų65.520%0.19831%0.31CS..Hα-helixtrans-60.7-23-173.900000113.8C96 R97 I103 Q104C96-A100 VanDerWaalsContact O-CA 3.23Å; C96-A100 WeakPolarHBondContact O-CA 3.49Å; C96-A100 WeakPolarHBondContact O-CB 3.47Å; C96-A100 PolarHBondContact O-N 3.46Å; C96-A100 VanDerWaalsContact O-N 3.07Å; R97-A100 WeakPolarHBondContact O-CB 3.46Å; R97-A100 PolarHBondContact O-N 2.89Å; R97-A100 VanDerWaalsContact O-N 3.14Å; A100-I103 PolarHBondContact O-N 3.38Å; A100-Q104 WeakPolarHBondContact O-CB 3.3Å; A100-Q104 VanDerWaalsContact O-CG 3.28Å; A100-Q104 WeakPolarHBondContact O-CG 3.45Å; A100-Q104 PolarHBondContact O-N 3.17Å; A100-Q104 PolarHBondContact O-NE2 2.82Å
101F94.7Very high94.7Very high156 Ų15661.7 Ų61.768%0.68429%0.29SS*.Hα-helixtrans-62.6-42.4173.9-175.2-100.3000112.1N99 I103 Q104 T105N99-F101 PolarHBondContact O-N 3.07Å; N99-F101 VanDerWaalsContact O-N 3.07Å; F101-I103 VanDerWaalsContact C-N 3.27Å; F101-I103 PolarHBondContact O-N 2.7Å; F101-Q104 WeakPolarHBondContact O-CA 3.39Å; F101-Q104 WeakPolarHBondContact O-CB 3.48Å; F101-Q104 PolarHBondContact O-N 3.23Å; F101-T105 HydrophobicContact CD1-CG2 4.23Å; F101-T105 HydrophobicContact CE1-CG2 3.74Å; F101-T105 HydrophobicContact CE2-CG2 4.48Å; F101-T105 HydrophobicContact CZ-CG2 3.88Å; F101-T105 PolarHBondContact O-N 3.39Å
102T93.8Very high94.7Very high46 Ų4659.5 Ų59.528%0.28229%0.291SS..Hα-helixtrans-64.6-29.9179.2-50.90000112.5W61 N99 T105W61-T102 HydrophobicContact CE3-CG2 4.04Å; W61-T102 HydrophobicContact CZ3-CG2 4Å; N99-T102 WeakPolarHBondContact O-CB 3.28Å; N99-T102 PolarHBondContact O-N 3.09Å; T102-T105 PolarHBondContact O-OG1 3.41Å
103I94.8Very high94.5Very high0 Ų061.2 Ų61.20%030%0.301CS..Hα-helixtrans-79.3-34.5172.4-51176.4000110.3W61 L78 L81 C96 A100 F101 L106 L130 V131 L134W61-I103 HydrophobicContact CH2-CD1 3.87Å; W61-I103 HydrophobicContact CH2-CG1 3.82Å; W61-I103 HydrophobicContact CZ3-CD1 4.37Å; W61-I103 HydrophobicContact CZ3-CG1 3.84Å; L78-I103 HydrophobicContact CD2-CG2 4.25Å; L81-I103 HydrophobicContact CD2-CD1 4.04Å; C96-I103 HydrophobicContact CB-CD1 4.1Å; A100-I103 PolarHBondContact O-N 3.38Å; F101-I103 VanDerWaalsContact C-N 3.27Å; F101-I103 PolarHBondContact O-N 2.7Å; I103-L106 PolarHBondContact O-N 3.21Å; I103-L130 HydrophobicContact CD1-CD2 4.35Å; I103-L130 HydrophobicContact CG2-CB 4.4Å; I103-L130 HydrophobicContact CG2-CD2 3.91Å; I103-L130 HydrophobicContact CG2-CG 4.27Å; I103-V131 HydrophobicContact CB-CG2 4.3Å; I103-V131 HydrophobicContact CG2-CG2 3.82Å; I103-L134 HydrophobicContact CD1-CD1 3.48Å; I103-L134 VanDerWaalsContact CD1-CD1 3.48Å
104Q95.6Very high94.4Very high57 Ų5772.1 Ų72.127%0.26634%0.34SS..Hα-helixtrans-68.5-32.6179.9-83.2-17890.200114.5A100 F101 L106 R107 V131A100-Q104 WeakPolarHBondContact O-CB 3.3Å; A100-Q104 VanDerWaalsContact O-CG 3.28Å; A100-Q104 WeakPolarHBondContact O-CG 3.45Å; A100-Q104 PolarHBondContact O-N 3.17Å; A100-Q104 PolarHBondContact O-NE2 2.82Å; F101-Q104 WeakPolarHBondContact O-CA 3.39Å; F101-Q104 WeakPolarHBondContact O-CB 3.48Å; F101-Q104 PolarHBondContact O-N 3.23Å; Q104-L106 VanDerWaalsContact C-N 3.28Å; Q104-L106 PolarHBondContact O-N 3.37Å; Q104-R107 WeakPolarHBondContact O-CB 3.5Å; Q104-R107 WeakPolarHBondContact O-CG 3.46Å; Q104-R107 PolarHBondContact O-N 2.87Å; Q104-R107 PolarHBondContact O-NE 2.97Å; Q104-V131 HydrophobicContact CB-CG2 4.48Å; Q104-V131 HydrophobicContact CG-CB 4.44Å; Q104-V131 HydrophobicContact CG-CG1 3.82Å; Q104-V131 HydrophobicContact CG-CG2 3.65Å
105T95.1Very high94.3Very high65 Ų6573.2 Ų73.240%0.39935%0.349SS..Hα-helixtrans-67.5-28.517552.80000112.4F101 T102 R107 D108F101-T105 HydrophobicContact CD1-CG2 4.23Å; F101-T105 HydrophobicContact CE1-CG2 3.74Å; F101-T105 HydrophobicContact CE2-CG2 4.48Å; F101-T105 HydrophobicContact CZ-CG2 3.88Å; F101-T105 PolarHBondContact O-N 3.39Å; T102-T105 PolarHBondContact O-OG1 3.41Å; T105-R107 PolarHBondContact O-N 3.41Å; T105-D108 PolarHBondContact O-N 3.05Å; T105-D108 VanDerWaalsContact O-N 3.09Å
106L95.5Very high94.2Very high13 Ų1374 Ų747%0.06837%0.369CS..G310 helixtrans-68.3-11.6177.3-61.8177.3000113.7L64 V74 L78 I103 Q104 D108 F109 V123 A127L64-L106 HydrophobicContact CB-CD1 4.29Å; L64-L106 HydrophobicContact CD2-CD1 3.85Å; V74-L106 HydrophobicContact CG1-CD1 3.91Å; V74-L106 HydrophobicContact CG1-CD2 3.81Å; V74-L106 HydrophobicContact CG1-CG 4.45Å; L78-L106 HydrophobicContact CD1-CD1 4.27Å; L78-L106 HydrophobicContact CD2-CD1 4.02Å; L78-L106 HydrophobicContact CG-CD1 4.27Å; I103-L106 PolarHBondContact O-N 3.21Å; Q104-L106 VanDerWaalsContact C-N 3.28Å; Q104-L106 PolarHBondContact O-N 3.37Å; L106-D108 PolarHBondContact O-N 3.44Å; L106-F109 HydrophobicContact CD2-CD2 3.98Å; L106-F109 VanDerWaalsContact O-CB 3.28Å; L106-F109 WeakPolarHBondContact O-CB 3.4Å; L106-F109 PolarHBondContact O-N 2.96Å; L106-V123 HydrophobicContact CB-CG1 4.46Å; L106-A127 HydrophobicContact CB-CB 3.75Å
107R95.4Very high94.1Very high76 Ų7681 Ų8129%0.28740%0.395SS..G310 helixtrans-67.5-20.8170.6-59.4177.8-60.6177.32.1112.9Q104 T105 R124 A127 R128Q104-R107 WeakPolarHBondContact O-CB 3.5Å; Q104-R107 WeakPolarHBondContact O-CG 3.46Å; Q104-R107 PolarHBondContact O-N 2.87Å; Q104-R107 PolarHBondContact O-NE 2.97Å; T105-R107 PolarHBondContact O-N 3.41Å; R107-R124 VanDerWaalsContact O-CB 3.32Å; R107-R124 WeakPolarHBondContact O-CB 3.47Å; R107-R124 WeakPolarHBondContact O-CD 3.38Å; R107-R124 WeakPolarHBondContact O-CG 3.45Å; R107-A127 HydrophobicContact CG-CB 3.97Å; R107-R128 HydrophobicContact CB-CG 4.07Å; R107-R128 HydrophobicContact CG-CG 3.79Å
108D94.9Very high94.1Very high107 Ų10779.7 Ų79.757%0.57239%0.394SS*.G310 helixtrans-108.58.2-179.9-57.9-60.2000112.5T105 L106 Q110T105-D108 PolarHBondContact O-N 3.05Å; T105-D108 VanDerWaalsContact O-N 3.09Å; L106-D108 PolarHBondContact O-N 3.44Å; D108-Q110 PolarHBondContact O-N 2.96Å; D108-Q110 PolarHBondContact O-NE2 3.35Å
109F95.5Very high94.1Very high20 Ų2075.1 Ų75.19%0.08837%0.372CS..  trans-58.9122.9179.9-175.5-81.8000112.3W71 V74 L106 V123 R124W71-F109 HydrophobicContact CB-CE1 3.82Å; W71-F109 HydrophobicContact CB-CZ 3.92Å; V74-F109 HydrophobicContact CG1-CE2 4.47Å; V74-F109 HydrophobicContact CG2-CE2 4.07Å; V74-F109 HydrophobicContact CG2-CZ 4.42Å; L106-F109 HydrophobicContact CD2-CD2 3.98Å; L106-F109 VanDerWaalsContact O-CB 3.28Å; L106-F109 WeakPolarHBondContact O-CB 3.4Å; L106-F109 PolarHBondContact O-N 2.96Å; F109-V123 HydrophobicContact CB-CB 4.32Å; F109-V123 HydrophobicContact CB-CG1 3.81Å; F109-V123 HydrophobicContact CD1-CB 3.8Å; F109-V123 HydrophobicContact CD1-CG1 3.86Å; F109-V123 HydrophobicContact CD1-CG2 3.94Å; F109-V123 HydrophobicContact CD2-CG1 4.22Å; F109-V123 HydrophobicContact CE1-CB 4.39Å; F109-V123 HydrophobicContact CE1-CG2 4.02Å; F109-V123 HydrophobicContact CG-CB 4.15Å; F109-V123 HydrophobicContact CG-CG1 3.7Å; F109-R124 HydrophobicContact CB-CG 4.23Å; F109-R124 WeakPolarHBondContact O-CD 3.41Å; F109-R124 WeakPolarHBondContact O-CG 3.4Å; F109-R124 PolarHBondContact O-NE 2.89Å
110Q93.9Very high94.1Very high152 Ų15272.3 Ų72.371%0.7136%0.357SS*.  trans-117.8125.2-178.9-74.2162.56300110.6D108D108-Q110 PolarHBondContact O-N 2.96Å; D108-Q110 PolarHBondContact O-NE2 3.35Å
111Y95Very high94.3Very high50 Ų5073 Ų7320%0.19636%0.363CS..  trans-151.4107.8165.8-179.9-106.7000110.5K69 W71 D113 Q119 G120K69-Y111 HydrophobicContact CB-CE2 4.34Å; W71-Y111 HydrophobicContact CB-CD1 4.26Å; W71-Y111 AromaticContact CD1-CD1 3.22Å; W71-Y111 AromaticContact CD1-CE1 3.35Å; W71-Y111 AromaticContact CG-CD1 3.89Å; W71-Y111 HydrophobicContact CG-CD1 3.89Å; W71-Y111 HydrophobicContact CG-CE1 4.4Å; W71-Y111 AromaticContact NE1-CD1 3.82Å; W71-Y111 AromaticContact NE1-CE1 3.63Å; Y111-D113 HydrophobicContact CE1-CB 4.35Å; Y111-Q119 HydrophobicContact CD1-CB 4.11Å; Y111-Q119 HydrophobicContact CD1-CG 4.21Å; Y111-Q119 HydrophobicContact CE1-CG 4.4Å; Y111-Q119 PolarHBondContact O-N 3.28Å; Y111-G120 PolarHBondContact O-N 2.9Å
112V94.2Very high94.2Very high88 Ų8869.4 Ų69.453%0.53335%0.351SS..BIsolated β-bridgetrans-90.5127.6169.6-174.80000108.3G116 R117 D118V112-G116 VanDerWaalsContact CG1-C 3.46Å; V112-G116 WeakPolarHBondContact CG1-O 3.23Å; V112-R117 WeakPolarHBondContact CA-O 3.22Å; V112-D118 HydrophobicContact CG2-CB 4.48Å
113D92.6Very high94.3Very high36 Ų3667.2 Ų67.219%0.19334%0.338CS..  trans-73.8169.7178.7-142.2-31.7000111.7Y111 D115 G116 R117 Q119Y111-D113 HydrophobicContact CE1-CB 4.35Å; D113-D115 PolarHBondContact O-N 3.28Å; D113-D115 VanDerWaalsContact O-N 3.12Å; D113-G116 PolarHBondContact O-N 3.21Å; D113-R117 HydrophobicContact CB-CB 4.42Å; D113-R117 WeakPolarHBondContact CB-O 3.33Å; D113-R117 PolarHBondContact N-O 2.99Å; D113-Q119 HydrophobicContact CB-CG 4.01Å; D113-Q119 PolarHBondContact OD2-NE2 3.04Å
114R91.6Very high94.4Very high237 Ų23770.8 Ų70.889%0.89435%0.351SS*.THydrogen-bonded Turntrans-59.4-25.8177.9-68.4-173.6173.1-144.6-4.3113.5G116R114-G116 PolarHBondContact O-N 3.46Å
115D93Very high94.5Very high105 Ų10571.6 Ų71.656%0.56136%0.355SS*.THydrogen-bonded Turntrans-83.810177.5-36.3-47.9000113.2D113 R117D113-D115 PolarHBondContact O-N 3.28Å; D113-D115 VanDerWaalsContact O-N 3.12Å; D115-R117 VanDerWaalsContact C-N 3.25Å; D115-R117 HydrophobicContact CB-CG 4.22Å; D115-R117 PolarHBondContact O-N 2.89Å; D115-R117 IonicContact OD2-CZ 3.15Å; D115-R117 IonicContact OD2-NE 3.76Å; D115-R117 PolarHBondContact OD2-NE 3.34Å; D115-R117 IonicContact OD2-NH2 2.68Å; D115-R117 PolarHBondContact OD2-NH2 3.15Å
116G92.5Very high94.5Very high59 Ų5970.1 Ų70.161%0.60834%0.343SS*.SBendtrans75.85.5-175.600000115.1V112 D113 R114V112-G116 VanDerWaalsContact CG1-C 3.46Å; V112-G116 WeakPolarHBondContact CG1-O 3.23Å; D113-G116 PolarHBondContact O-N 3.21Å; R114-G116 PolarHBondContact O-N 3.46Å
117R93.3Very high94.6Very high146 Ų14669.5 Ų69.555%0.55134%0.34SS*.  trans-85123.3-176.7-63.4-173.7-74.2179-5.3111.8V112 D113 D115 Q119V112-R117 WeakPolarHBondContact CA-O 3.22Å; D113-R117 HydrophobicContact CB-CB 4.42Å; D113-R117 WeakPolarHBondContact CB-O 3.33Å; D113-R117 PolarHBondContact N-O 2.99Å; D115-R117 VanDerWaalsContact C-N 3.25Å; D115-R117 HydrophobicContact CB-CG 4.22Å; D115-R117 PolarHBondContact O-N 2.89Å; D115-R117 IonicContact OD2-CZ 3.15Å; D115-R117 IonicContact OD2-NE 3.76Å; D115-R117 PolarHBondContact OD2-NE 3.34Å; D115-R117 IonicContact OD2-NH2 2.68Å; D115-R117 PolarHBondContact OD2-NH2 3.15Å; R117-Q119 PolarHBondContact O-N 3.5Å; R117-Q119 VanDerWaalsContact O-N 3.07Å
118D94.8Very high94.7Very high54 Ų5471 Ų7129%0.28935%0.345SS..BIsolated β-bridgetrans-73.596.7171.9-179.121.4000111.3V112 G120 A121 R124V112-D118 HydrophobicContact CG2-CB 4.48Å; D118-G120 VanDerWaalsContact C-N 3.27Å; D118-G120 WeakPolarHBondContact OD1-CA 3.34Å; D118-G120 PolarHBondContact OD1-N 2.84Å; D118-A121 PolarHBondContact OD1-N 3Å; D118-A121 VanDerWaalsContact OD1-N 3.16Å; D118-A121 WeakPolarHBondContact OD2-CB 3.4Å; D118-A121 PolarHBondContact OD2-N 2.96Å; D118-R124 IonicContact OD2-CZ 3.3Å; D118-R124 IonicContact OD2-NH2 2.71Å; D118-R124 PolarHBondContact OD2-NH2 2.95Å
119Q93.5Very high94.7Very high27 Ų2770.7 Ų70.713%0.12634%0.341CS..SBendtrans-76.5-21.3171.5-49.1-76.11100111.1W71 Y111 D113 R117 A121 N122W71-Q119 HydrophobicContact CD2-CB 3.66Å; W71-Q119 HydrophobicContact CD2-CG 4.27Å; W71-Q119 HydrophobicContact CE3-CB 4.03Å; W71-Q119 HydrophobicContact CG-CB 4.07Å; W71-Q119 HydrophobicContact CH2-CB 4.23Å; W71-Q119 HydrophobicContact CH2-CG 4.36Å; W71-Q119 HydrophobicContact CZ2-CB 3.88Å; W71-Q119 VanDerWaalsContact CZ2-CD 3.46Å; W71-Q119 HydrophobicContact CZ2-CG 3.71Å; W71-Q119 HydrophobicContact CZ3-CB 4.3Å; Y111-Q119 HydrophobicContact CD1-CB 4.11Å; Y111-Q119 HydrophobicContact CD1-CG 4.21Å; Y111-Q119 HydrophobicContact CE1-CG 4.4Å; Y111-Q119 PolarHBondContact O-N 3.28Å; D113-Q119 HydrophobicContact CB-CG 4.01Å; D113-Q119 PolarHBondContact OD2-NE2 3.04Å; R117-Q119 PolarHBondContact O-N 3.5Å; R117-Q119 VanDerWaalsContact O-N 3.07Å; Q119-A121 VanDerWaalsContact C-N 3.29Å; Q119-A121 PolarHBondContact O-N 3.46Å; Q119-N122 PolarHBondContact O-N 3.15Å
120G94.3Very high94.7Very high0 Ų069.8 Ų69.80%034%0.336CS..Hα-helixtrans-63.5-31.2176.400000112.9Y111 D118 N122 V123 R124Y111-G120 PolarHBondContact O-N 2.9Å; D118-G120 VanDerWaalsContact C-N 3.27Å; D118-G120 WeakPolarHBondContact OD1-CA 3.34Å; D118-G120 PolarHBondContact OD1-N 2.84Å; G120-N122 PolarHBondContact O-N 3.46Å; G120-N122 VanDerWaalsContact O-N 3.17Å; G120-V123 WeakPolarHBondContact O-CA 3.26Å; G120-V123 WeakPolarHBondContact O-CB 3.33Å; G120-V123 PolarHBondContact O-N 2.91Å; G120-R124 WeakPolarHBondContact O-CG 3.45Å; G120-R124 PolarHBondContact O-N 3.2Å
121A95.6Very high94.8Very high38 Ų3863 Ų6331%0.31431%0.305SS..Hα-helixtrans-45.9-46172.700000113D118 Q119 V123 R124 E125D118-A121 PolarHBondContact OD1-N 3Å; D118-A121 VanDerWaalsContact OD1-N 3.16Å; D118-A121 WeakPolarHBondContact OD2-CB 3.4Å; D118-A121 PolarHBondContact OD2-N 2.96Å; Q119-A121 VanDerWaalsContact C-N 3.29Å; Q119-A121 PolarHBondContact O-N 3.46Å; A121-V123 PolarHBondContact O-N 2.85Å; A121-R124 PolarHBondContact O-N 3.43Å; A121-E125 WeakPolarHBondContact O-CB 3.43Å; A121-E125 PolarHBondContact O-N 3.35Å
122N93.8Very high94.8Very high81 Ų8163.8 Ų63.843%0.43332%0.318SS..Hα-helixtrans-67.8-35179.7-64.6-49000112.9Y75 Q119 G120 K126Y75-N122 HydrophobicContact CD2-CB 4.13Å; Y75-N122 HydrophobicContact CE2-CB 3.99Å; Y75-N122 WeakPolarHBondContact CE2-O 3.37Å; Q119-N122 PolarHBondContact O-N 3.15Å; G120-N122 PolarHBondContact O-N 3.46Å; G120-N122 VanDerWaalsContact O-N 3.17Å; N122-K126 WeakPolarHBondContact O-CB 3.36Å; N122-K126 PolarHBondContact O-N 3Å
123V96.1Very high94.8Very high0 Ų059.7 Ų59.70%029%0.293CS..Hα-helixtrans-67.1-48.2173.8-179.80000109.9V74 L78 L106 F109 G120 A121 E125 K126 A127V74-V123 HydrophobicContact CG1-CG1 3.76Å; L78-V123 HydrophobicContact CD1-CG1 3.9Å; L106-V123 HydrophobicContact CB-CG1 4.46Å; F109-V123 HydrophobicContact CB-CB 4.32Å; F109-V123 HydrophobicContact CB-CG1 3.81Å; F109-V123 HydrophobicContact CD1-CB 3.8Å; F109-V123 HydrophobicContact CD1-CG1 3.86Å; F109-V123 HydrophobicContact CD1-CG2 3.94Å; F109-V123 HydrophobicContact CD2-CG1 4.22Å; F109-V123 HydrophobicContact CE1-CB 4.39Å; F109-V123 HydrophobicContact CE1-CG2 4.02Å; F109-V123 HydrophobicContact CG-CB 4.15Å; F109-V123 HydrophobicContact CG-CG1 3.7Å; G120-V123 WeakPolarHBondContact O-CA 3.26Å; G120-V123 WeakPolarHBondContact O-CB 3.33Å; G120-V123 PolarHBondContact O-N 2.91Å; A121-V123 PolarHBondContact O-N 2.85Å; V123-E125 PolarHBondContact O-N 2.95Å; V123-K126 PolarHBondContact O-N 2.78Å; V123-A127 VanDerWaalsContact O-CB 3.3Å; V123-A127 WeakPolarHBondContact O-CB 3.38Å; V123-A127 PolarHBondContact O-N 2.88Å
124R96.9Very high94.9Very high76 Ų7659 Ų5929%0.28729%0.289SS..Hα-helixtrans-61.9-42.2-179.7-66-169.5-77.2161.2-4112.4R107 F109 D118 G120 A121 R128R107-R124 VanDerWaalsContact O-CB 3.32Å; R107-R124 WeakPolarHBondContact O-CB 3.47Å; R107-R124 WeakPolarHBondContact O-CD 3.38Å; R107-R124 WeakPolarHBondContact O-CG 3.45Å; F109-R124 HydrophobicContact CB-CG 4.23Å; F109-R124 WeakPolarHBondContact O-CD 3.41Å; F109-R124 WeakPolarHBondContact O-CG 3.4Å; F109-R124 PolarHBondContact O-NE 2.89Å; D118-R124 IonicContact OD2-CZ 3.3Å; D118-R124 IonicContact OD2-NH2 2.71Å; D118-R124 PolarHBondContact OD2-NH2 2.95Å; G120-R124 WeakPolarHBondContact O-CG 3.45Å; G120-R124 PolarHBondContact O-N 3.2Å; A121-R124 PolarHBondContact O-N 3.43Å; R124-R128 WeakPolarHBondContact O-CB 3.35Å; R124-R128 WeakPolarHBondContact O-CG 3.34Å; R124-R128 PolarHBondContact O-N 2.84Å; R124-R128 PolarHBondContact O-NE 3.12Å
125E97Very high94.9Very high74 Ų7455.2 Ų55.235%0.34628%0.279SS..Hα-helixtrans-60-52.9174.8-175.354.4-124.300111.2A121 V123 A127 R128 Q129A121-E125 WeakPolarHBondContact O-CB 3.43Å; A121-E125 PolarHBondContact O-N 3.35Å; V123-E125 PolarHBondContact O-N 2.95Å; E125-A127 PolarHBondContact O-N 3.4Å; E125-R128 VanDerWaalsContact CD-NH1 3.27Å; E125-R128 PolarHBondContact O-N 3.34Å; E125-R128 VanDerWaalsContact O-N 3.15Å; E125-R128 IonicContact OE1-NH1 2.7Å; E125-R128 PolarHBondContact OE1-NH1 3.23Å; E125-R128 IonicContact OE2-CZ 2.7Å; E125-R128 IonicContact OE2-NH1 3.57Å; E125-R128 PolarHBondContact OE2-NH1 3.21Å; E125-R128 IonicContact OE2-NH2 3.3Å; E125-R128 PolarHBondContact OE2-NH2 3.27Å; E125-Q129 WeakPolarHBondContact O-CG 3.49Å; E125-Q129 PolarHBondContact O-N 3.47Å; E125-Q129 PolarHBondContact OE1-NE2 3.47Å
126K95.8Very high94.9Very high33 Ų3353.5 Ų53.514%0.14327%0.27CS..Hα-helixtrans-67.4-35.1-178.1-161.3155-163.4163.50113.1Y75 L78 T79 N122 V123 Q129 L130Y75-K126 HydrophobicContact CD2-CD 4.47Å; Y75-K126 HydrophobicContact CE2-CB 4.22Å; Y75-K126 HydrophobicContact CE2-CD 3.88Å; L78-K126 HydrophobicContact CB-CD 4.41Å; L78-K126 HydrophobicContact CB-CG 4.23Å; L78-K126 HydrophobicContact CD1-CB 4.43Å; T79-K126 WeakPolarHBondContact OG1-CE 3.28Å; T79-K126 PolarHBondContact OG1-NZ 2.87Å; N122-K126 WeakPolarHBondContact O-CB 3.36Å; N122-K126 PolarHBondContact O-N 3Å; V123-K126 PolarHBondContact O-N 2.78Å; K126-Q129 PolarHBondContact O-N 2.94Å; K126-L130 WeakPolarHBondContact O-CB 3.48Å; K126-L130 PolarHBondContact O-N 3.26Å
127A97Very high94.8Very high0 Ų056 Ų560%027%0.266CS..Hα-helixtrans-64.1-40.7172.100000112L78 L106 R107 V123 E125 L130 V131L78-A127 HydrophobicContact CD1-CB 4.14Å; L106-A127 HydrophobicContact CB-CB 3.75Å; R107-A127 HydrophobicContact CG-CB 3.97Å; V123-A127 VanDerWaalsContact O-CB 3.3Å; V123-A127 WeakPolarHBondContact O-CB 3.38Å; V123-A127 PolarHBondContact O-N 2.88Å; E125-A127 PolarHBondContact O-N 3.4Å; A127-L130 PolarHBondContact O-N 3.48Å; A127-V131 WeakPolarHBondContact O-CB 3.43Å; A127-V131 VanDerWaalsContact O-CG2 3.24Å; A127-V131 WeakPolarHBondContact O-CG2 3.44Å; A127-V131 PolarHBondContact O-N 3.1Å
128R96.8Very high94.8Very high107 Ų10754.9 Ų54.940%0.40427%0.27SS..Hα-helixtrans-63-44.9174.6-79.7-175.1-77.596.1-3.9111.7R107 R124 E125 V131 C132R107-R128 HydrophobicContact CB-CG 4.07Å; R107-R128 HydrophobicContact CG-CG 3.79Å; R124-R128 WeakPolarHBondContact O-CB 3.35Å; R124-R128 WeakPolarHBondContact O-CG 3.34Å; R124-R128 PolarHBondContact O-N 2.84Å; R124-R128 PolarHBondContact O-NE 3.12Å; E125-R128 VanDerWaalsContact CD-NH1 3.27Å; E125-R128 PolarHBondContact O-N 3.34Å; E125-R128 VanDerWaalsContact O-N 3.15Å; E125-R128 IonicContact OE1-NH1 2.7Å; E125-R128 PolarHBondContact OE1-NH1 3.23Å; E125-R128 IonicContact OE2-CZ 2.7Å; E125-R128 IonicContact OE2-NH1 3.57Å; E125-R128 PolarHBondContact OE2-NH1 3.21Å; E125-R128 IonicContact OE2-NH2 3.3Å; E125-R128 PolarHBondContact OE2-NH2 3.27Å; R128-V131 PolarHBondContact O-N 3.47Å; R128-C132 PolarHBondContact O-N 3.45Å; R128-C132 PolarHBondContact O-SG 2.96Å
129Q96.2Very high94.7Very high102 Ų10257 Ų5748%0.47727%0.274SS..Hα-helixtrans-60.4-47.6176.8-67.9172.21100111.9E125 K126 V131 C132 L133E125-Q129 WeakPolarHBondContact O-CG 3.49Å; E125-Q129 PolarHBondContact O-N 3.47Å; E125-Q129 PolarHBondContact OE1-NE2 3.47Å; K126-Q129 PolarHBondContact O-N 2.94Å; Q129-V131 PolarHBondContact O-N 3.03Å; Q129-C132 PolarHBondContact O-N 3.24Å; Q129-L133 PolarHBondContact O-N 3.03Å
130L96Very high94.7Very high0 Ų056 Ų560%027%0.27CS..Hα-helixtrans-65.9-38.9-179.6-16862.1000112.6L78 L81 D82 L85 I103 K126 A127 L133 L134L78-L130 HydrophobicContact CD2-CD2 3.8Å; L81-L130 HydrophobicContact CB-CD2 4.37Å; L81-L130 HydrophobicContact CD2-CD2 4.06Å; L81-L130 HydrophobicContact CG-CD2 4.22Å; D82-L130 HydrophobicContact CB-CD1 4.1Å; L85-L130 HydrophobicContact CD1-CD1 4.34Å; L85-L130 HydrophobicContact CD2-CD1 3.77Å; I103-L130 HydrophobicContact CD1-CD2 4.35Å; I103-L130 HydrophobicContact CG2-CB 4.4Å; I103-L130 HydrophobicContact CG2-CD2 3.91Å; I103-L130 HydrophobicContact CG2-CG 4.27Å; K126-L130 WeakPolarHBondContact O-CB 3.48Å; K126-L130 PolarHBondContact O-N 3.26Å; A127-L130 PolarHBondContact O-N 3.48Å; L130-L133 PolarHBondContact O-N 3.35Å; L130-L134 HydrophobicContact CG-CD1 4.33Å; L130-L134 WeakPolarHBondContact O-CB 3.48Å; L130-L134 WeakPolarHBondContact O-CG 3.47Å; L130-L134 PolarHBondContact O-N 2.87Å
131V95.5Very high94.6Very high9 Ų963.9 Ų63.96%0.05530%0.3CS..Hα-helixtrans-66.8-34.5173.8168.40000112.1I103 Q104 A127 R128 Q129 K135I103-V131 HydrophobicContact CB-CG2 4.3Å; I103-V131 HydrophobicContact CG2-CG2 3.82Å; Q104-V131 HydrophobicContact CB-CG2 4.48Å; Q104-V131 HydrophobicContact CG-CB 4.44Å; Q104-V131 HydrophobicContact CG-CG1 3.82Å; Q104-V131 HydrophobicContact CG-CG2 3.65Å; A127-V131 WeakPolarHBondContact O-CB 3.43Å; A127-V131 VanDerWaalsContact O-CG2 3.24Å; A127-V131 WeakPolarHBondContact O-CG2 3.44Å; A127-V131 PolarHBondContact O-N 3.1Å; R128-V131 PolarHBondContact O-N 3.47Å; Q129-V131 PolarHBondContact O-N 3.03Å; V131-K135 WeakPolarHBondContact O-CG 3.36Å; V131-K135 PolarHBondContact O-N 3.41Å
132C95Very high94.5Very high68 Ų6867.7 Ų67.746%0.45931%0.311SS..Hα-helixtrans-69.2-38.2174.3-660000111.6R128 Q129 K135R128-C132 PolarHBondContact O-N 3.45Å; R128-C132 PolarHBondContact O-SG 2.96Å; Q129-C132 PolarHBondContact O-N 3.24Å; C132-K135 PolarHBondContact O-N 3.07Å
133L94Very high94.5Very high2 Ų266 Ų661%0.0130%0.3CS..Hα-helixtrans-67.5-37.4175.4-176.160.5000112.5L85 Q129 L130 K135 D136 L140 E143L85-L133 HydrophobicContact CD2-CD2 4.17Å; L85-L133 HydrophobicContact CD2-CG 4.43Å; Q129-L133 PolarHBondContact O-N 3.03Å; L130-L133 PolarHBondContact O-N 3.35Å; L133-K135 VanDerWaalsContact C-N 3.26Å; L133-K135 PolarHBondContact O-N 3.09Å; L133-D136 PolarHBondContact O-N 2.68Å; L133-L140 HydrophobicContact CD1-CB 3.97Å; L133-L140 HydrophobicContact CD1-CD1 4.12Å; L133-L140 HydrophobicContact CD2-CD1 4.07Å; L133-L140 HydrophobicContact CG-CB 4.37Å; L133-L140 HydrophobicContact CG-CD1 3.96Å; L133-E143 HydrophobicContact CD1-CG 4.46Å
134L93.7Very high94.4Very high20 Ų2066.9 Ų66.911%0.10530%0.304CS..Hα-helixtrans-71.6-15.2177.3-80.5165.5000114.7L85 C96 R97 I103 L130L85-L134 HydrophobicContact CD2-CD2 3.78Å; L85-L134 HydrophobicContact CD2-CG 3.89Å; C96-L134 HydrophobicContact CB-CD1 3.99Å; C96-L134 HydrophobicContact CB-CD2 3.64Å; C96-L134 HydrophobicContact CB-CG 4.48Å; R97-L134 HydrophobicContact CG-CD2 4.2Å; I103-L134 HydrophobicContact CD1-CD1 3.48Å; I103-L134 VanDerWaalsContact CD1-CD1 3.48Å; L130-L134 HydrophobicContact CG-CD1 4.33Å; L130-L134 WeakPolarHBondContact O-CB 3.48Å; L130-L134 WeakPolarHBondContact O-CG 3.47Å; L130-L134 PolarHBondContact O-N 2.87Å
135K92.4Very high94.1Very high158 Ų15865.9 Ų65.969%0.68731%0.309SS*.Hα-helixtrans-87-18.8177.4-80.5178.7170.5-162.60113.8V131 C132 L133V131-K135 WeakPolarHBondContact O-CG 3.36Å; V131-K135 PolarHBondContact O-N 3.41Å; C132-K135 PolarHBondContact O-N 3.07Å; L133-K135 VanDerWaalsContact C-N 3.26Å; L133-K135 PolarHBondContact O-N 3.09Å
136D93.1Very high93.8Very high69 Ų6967.7 Ų67.737%0.36932%0.317SS..  trans-121.188-172.2-176-13.8000108.4L133 R139 L140L133-D136 PolarHBondContact O-N 2.68Å; D136-R139 HydrophobicContact CB-CB 4.02Å; D136-R139 PolarHBondContact O-N 3.41Å; D136-R139 WeakPolarHBondContact OD1-CB 3.47Å; D136-R139 PolarHBondContact OD1-N 3.26Å; D136-R139 WeakPolarHBondContact OD2-CB 3.43Å; D136-L140 WeakPolarHBondContact O-CB 3.37Å; D136-L140 PolarHBondContact O-N 3.29Å
137E90.7Very high93.5Very high112 Ų11267.3 Ų67.352%0.52332%0.32SS..Hα-helixtrans-67.8-36.4-173.3177.1153.6-154.300112.5R97 L140 R141R97-E137 IonicContact CZ-OE1 2.71Å; R97-E137 IonicContact CZ-OE2 2.69Å; R97-E137 IonicContact NH1-OE1 3.63Å; R97-E137 PolarHBondContact NH1-OE1 2.94Å; R97-E137 IonicContact NH1-OE2 2.74Å; R97-E137 PolarHBondContact NH1-OE2 3.42Å; R97-E137 IonicContact NH2-OE1 3.76Å; E137-L140 PolarHBondContact O-N 3.03Å; E137-R141 VanDerWaalsContact O-CB 3.28Å; E137-R141 WeakPolarHBondContact O-CB 3.24Å; E137-R141 PolarHBondContact O-N 3.19Å
138D92.5Very high93Very high122 Ų12270.5 Ų70.565%0.65234%0.336SS*.Hα-helixtrans-67.4-42.5177-74.3-52.1000111.4R141 Q142D138-R141 PolarHBondContact O-N 2.77Å; D138-Q142 WeakPolarHBondContact O-CB 3.41Å; D138-Q142 PolarHBondContact O-N 3.42Å
139R93.6Very high92.7Very high98 Ų9871.3 Ų71.337%0.3734%0.343SS..Hα-helixtrans-64.1-42.6171.6-178-173150.2-154.9-11.3111.9D136 R141 Q142 E143D136-R139 HydrophobicContact CB-CB 4.02Å; D136-R139 PolarHBondContact O-N 3.41Å; D136-R139 WeakPolarHBondContact OD1-CB 3.47Å; D136-R139 PolarHBondContact OD1-N 3.26Å; D136-R139 WeakPolarHBondContact OD2-CB 3.43Å; R139-R141 VanDerWaalsContact C-N 3.3Å; R139-R141 PolarHBondContact O-N 2.97Å; R139-Q142 CarbonylContact O-C 3.53Å; R139-Q142 WeakPolarHBondContact O-CB 3.09Å; R139-Q142 PolarHBondContact O-N 3.44Å; R139-Q142 VanDerWaalsContact O-N 3.15Å; R139-E143 IonicContact CZ-OE1 2.96Å; R139-E143 IonicContact NE-OE1 3.8Å; R139-E143 PolarHBondContact NE-OE1 3.27Å; R139-E143 IonicContact NH2-OE1 3.61Å; R139-E143 PolarHBondContact NH2-OE1 3Å; R139-E143 PolarHBondContact O-N 3.39Å
140L93.4Very high92.2Very high6 Ų669.6 Ų69.63%0.03134%0.339CS..Hα-helixtrans-59.8-41.8174.9172.857.2000111.2L85 A93 L133 D136 E137 Q142 E143 R144L85-L140 HydrophobicContact CB-CD1 4.19Å; L85-L140 HydrophobicContact CD2-CD1 4.09Å; L85-L140 HydrophobicContact CD2-CD2 4.24Å; L85-L140 HydrophobicContact CG-CD1 4.41Å; A93-L140 HydrophobicContact CB-CD2 4Å; L133-L140 HydrophobicContact CD1-CB 3.97Å; L133-L140 HydrophobicContact CD1-CD1 4.12Å; L133-L140 HydrophobicContact CD2-CD1 4.07Å; L133-L140 HydrophobicContact CG-CB 4.37Å; L133-L140 HydrophobicContact CG-CD1 3.96Å; D136-L140 WeakPolarHBondContact O-CB 3.37Å; D136-L140 PolarHBondContact O-N 3.29Å; E137-L140 PolarHBondContact O-N 3.03Å; L140-Q142 VanDerWaalsContact C-N 3.32Å; L140-Q142 PolarHBondContact O-N 3.07Å; L140-E143 PolarHBondContact O-N 2.98Å; L140-R144 HydrophobicContact CD1-CG 4.12Å; L140-R144 WeakPolarHBondContact O-CB 3.43Å; L140-R144 VanDerWaalsContact O-CG 3.25Å; L140-R144 WeakPolarHBondContact O-CG 3.47Å; L140-R144 PolarHBondContact O-N 3.33Å
141R92.1Very high91.5Very high167 Ų16772 Ų7263%0.6335%0.35SS*.Hα-helixtrans-64.4-36.5175.3-165177-168.8-178.34.7111.9E137 D138 R139 S145E137-R141 VanDerWaalsContact O-CB 3.28Å; E137-R141 WeakPolarHBondContact O-CB 3.24Å; E137-R141 PolarHBondContact O-N 3.19Å; D138-R141 PolarHBondContact O-N 2.77Å; R139-R141 VanDerWaalsContact C-N 3.3Å; R139-R141 PolarHBondContact O-N 2.97Å; R141-S145 VanDerWaalsContact O-CB 3.32Å; R141-S145 WeakPolarHBondContact O-CB 3.18Å; R141-S145 PolarHBondContact O-N 2.96Å; R141-S145 PolarHBondContact O-OG 3.15Å
142Q93.6Very high90.9Very high117 Ų11778.3 Ų78.355%0.54738%0.379SS..Hα-helixtrans-68.6-47.3173.9-162.9-172.333.400112D138 R139 L140 R144 S145 Q146D138-Q142 WeakPolarHBondContact O-CB 3.41Å; D138-Q142 PolarHBondContact O-N 3.42Å; R139-Q142 CarbonylContact O-C 3.53Å; R139-Q142 WeakPolarHBondContact O-CB 3.09Å; R139-Q142 PolarHBondContact O-N 3.44Å; R139-Q142 VanDerWaalsContact O-N 3.15Å; L140-Q142 VanDerWaalsContact C-N 3.32Å; L140-Q142 PolarHBondContact O-N 3.07Å; Q142-R144 PolarHBondContact O-N 2.98Å; Q142-S145 WeakPolarHBondContact O-CB 3.11Å; Q142-S145 PolarHBondContact O-N 2.83Å; Q142-S145 VanDerWaalsContact O-N 3.16Å; Q142-Q146 WeakPolarHBondContact O-CG 3.47Å; Q142-Q146 PolarHBondContact O-N 3.31Å
143E92.6Very high90.3Very high46 Ų4684.9 Ų84.922%0.21539%0.394CS..Hα-helixtrans-60.5-43.9176.2-76.2-170.6-150.900111K86 L133 R139 L140 S145 Q146 A147K86-E143 WeakPolarHBondContact CE-OE2 3.47Å; K86-E143 IonicContact NZ-OE2 3.45Å; L133-E143 HydrophobicContact CD1-CG 4.46Å; R139-E143 IonicContact CZ-OE1 2.96Å; R139-E143 IonicContact NE-OE1 3.8Å; R139-E143 PolarHBondContact NE-OE1 3.27Å; R139-E143 IonicContact NH2-OE1 3.61Å; R139-E143 PolarHBondContact NH2-OE1 3Å; R139-E143 PolarHBondContact O-N 3.39Å; L140-E143 PolarHBondContact O-N 2.98Å; E143-S145 PolarHBondContact O-N 3.43Å; E143-Q146 PolarHBondContact O-N 2.85Å; E143-A147 VanDerWaalsContact O-CB 3.27Å; E143-A147 WeakPolarHBondContact O-CB 3.37Å; E143-A147 PolarHBondContact O-N 2.9Å
144R93.9Very high89.2Confident19 Ų1992.4 Ų92.47%0.07243%0.431CS..Hα-helixtrans-56.3-47.7171.3-75.317566.269.75.9112L85 K86 G88 L140 Q142 Q146 A147 L148L85-R144 VanDerWaalsContact O-CD 3.25Å; L85-R144 WeakPolarHBondContact O-CD 3.35Å; L85-R144 WeakPolarHBondContact O-CG 3.39Å; L85-R144 PolarHBondContact O-NH1 2.96Å; K86-R144 WeakPolarHBondContact O-CA 3.41Å; G88-R144 VanDerWaalsContact O-CZ 3.31Å; G88-R144 PolarHBondContact O-NH1 2.68Å; G88-R144 PolarHBondContact O-NH2 3.2Å; L140-R144 HydrophobicContact CD1-CG 4.12Å; L140-R144 WeakPolarHBondContact O-CB 3.43Å; L140-R144 VanDerWaalsContact O-CG 3.25Å; L140-R144 WeakPolarHBondContact O-CG 3.47Å; L140-R144 PolarHBondContact O-N 3.33Å; Q142-R144 PolarHBondContact O-N 2.98Å; R144-Q146 VanDerWaalsContact C-N 3.27Å; R144-Q146 PolarHBondContact O-N 3.11Å; R144-A147 PolarHBondContact O-N 2.96Å; R144-L148 WeakPolarHBondContact O-CB 3.45Å; R144-L148 WeakPolarHBondContact O-CG 3.19Å; R144-L148 PolarHBondContact O-N 3.14Å
145S90.8Very high87.7Confident55 Ų5594.8 Ų94.839%0.38546%0.46SS..Hα-helixtrans-64-28.4180-620000113.6R141 Q142 E143 K149R141-S145 VanDerWaalsContact O-CB 3.32Å; R141-S145 WeakPolarHBondContact O-CB 3.18Å; R141-S145 PolarHBondContact O-N 2.96Å; R141-S145 PolarHBondContact O-OG 3.15Å; Q142-S145 WeakPolarHBondContact O-CB 3.11Å; Q142-S145 PolarHBondContact O-N 2.83Å; Q142-S145 VanDerWaalsContact O-N 3.16Å; E143-S145 PolarHBondContact O-N 3.43Å; S145-K149 WeakPolarHBondContact O-CD 3.33Å; S145-K149 WeakPolarHBondContact O-CE 3.16Å; S145-K149 VanDerWaalsContact O-CG 3.23Å; S145-K149 WeakPolarHBondContact O-CG 3.38Å
146Q90.8Very high85.8Confident112 Ų11289.3 Ų89.352%0.52345%0.449SS..Hα-helixtrans-83.4-42.3174.5-67.8-177.634.600112Q142 E143 R144 K149 T150Q142-Q146 WeakPolarHBondContact O-CG 3.47Å; Q142-Q146 PolarHBondContact O-N 3.31Å; E143-Q146 PolarHBondContact O-N 2.85Å; R144-Q146 VanDerWaalsContact C-N 3.27Å; R144-Q146 PolarHBondContact O-N 3.11Å; Q146-K149 PolarHBondContact O-N 3.44Å; Q146-T150 PolarHBondContact O-N 3.34Å; Q146-T150 PolarHBondContact O-OG1 3.5Å
147A89Confident83.9Confident24 Ų2493.5 Ų93.520%0.19847%0.469CS..Hα-helixtrans-64.3-43.8-179.200000111.7K86 T87 E143 R144 T150 K151K86-A147 HydrophobicContact CB-CB 4Å; T87-A147 HydrophobicContact CG2-CB 3.87Å; E143-A147 VanDerWaalsContact O-CB 3.27Å; E143-A147 WeakPolarHBondContact O-CB 3.37Å; E143-A147 PolarHBondContact O-N 2.9Å; R144-A147 PolarHBondContact O-N 2.96Å; A147-T150 PolarHBondContact O-N 3.17Å; A147-K151 WeakPolarHBondContact O-CB 3.29Å; A147-K151 PolarHBondContact O-N 3.39Å
148L88.3Confident81.8Confident67 Ų6793.1 Ų93.135%0.35148%0.477SS..Hα-helixtrans-63.4-44.7176.7-69.9171.4000112.3R144 T150 K151 E152R144-L148 WeakPolarHBondContact O-CB 3.45Å; R144-L148 WeakPolarHBondContact O-CG 3.19Å; R144-L148 PolarHBondContact O-N 3.14Å; L148-T150 PolarHBondContact O-N 2.95Å; L148-K151 PolarHBondContact O-N 3.19Å; L148-E152 WeakPolarHBondContact O-CB 3.23Å; L148-E152 PolarHBondContact O-N 2.86Å
149K89.7Confident79.6Confident124 Ų12492.9 Ų92.954%0.53948%0.482SS..Hα-helixtrans-62.2-31174.7-70.2173.5-170.8175.80112.9S145 Q146 R153S145-K149 WeakPolarHBondContact O-CD 3.33Å; S145-K149 WeakPolarHBondContact O-CE 3.16Å; S145-K149 VanDerWaalsContact O-CG 3.23Å; S145-K149 WeakPolarHBondContact O-CG 3.38Å; Q146-K149 PolarHBondContact O-N 3.44Å; K149-R153 WeakPolarHBondContact O-CD 3.49Å; K149-R153 VanDerWaalsContact O-CG 3.28Å; K149-R153 WeakPolarHBondContact O-CG 3.2Å; K149-R153 PolarHBondContact O-N 3.16Å
150T85.4Confident77.1Confident66 Ų6692.4 Ų92.441%0.40549%0.494SS..Hα-helixtrans-76.5-43176.2-550000111.1Q146 A147 L148 E152 R153 M154Q146-T150 PolarHBondContact O-N 3.34Å; Q146-T150 PolarHBondContact O-OG1 3.5Å; A147-T150 PolarHBondContact O-N 3.17Å; L148-T150 PolarHBondContact O-N 2.95Å; T150-E152 VanDerWaalsContact C-N 3.35Å; T150-E152 PolarHBondContact O-N 2.9Å; T150-R153 PolarHBondContact O-N 3.26Å; T150-M154 HydrophobicContact CG2-CE 4.08Å; T150-M154 HydrophobicContact CG2-SD 4.08Å; T150-M154 WeakPolarHBondContact O-CG 3.45Å; T150-M154 PolarHBondContact O-N 3.3Å
151K82.3Confident74.7Confident51 Ų51102.8 Ų102.822%0.22253%0.534CS..Hα-helixtrans-58.2-45.4172.8173.3173.7168.9167.70111.3S41 D45 A147 L148 R153 M154 G155S41-K151 VanDerWaalsContact OG-CE 3.28Å; S41-K151 WeakPolarHBondContact OG-CE 3.39Å; S41-K151 PolarHBondContact OG-NZ 3.07Å; D45-K151 IonicContact OD1-NZ 3.71Å; D45-K151 PolarHBondContact OD1-NZ 3.32Å; D45-K151 IonicContact OD2-NZ 2.74Å; D45-K151 PolarHBondContact OD2-NZ 3.34Å; A147-K151 WeakPolarHBondContact O-CB 3.29Å; A147-K151 PolarHBondContact O-N 3.39Å; L148-K151 PolarHBondContact O-N 3.19Å; K151-R153 PolarHBondContact O-N 3.44Å; K151-M154 PolarHBondContact O-N 3.07Å; K151-M154 VanDerWaalsContact O-N 3.08Å; K151-G155 PolarHBondContact O-N 3.15Å
152E81.6Confident72.4Confident142 Ų142102.8 Ų102.866%0.66454%0.541SS*.Hα-helixtrans-58-44.2177.1-175.7178.5-154.100112.1L148 T150 M154 G156L148-E152 WeakPolarHBondContact O-CB 3.23Å; L148-E152 PolarHBondContact O-N 2.86Å; T150-E152 VanDerWaalsContact C-N 3.35Å; T150-E152 PolarHBondContact O-N 2.9Å; E152-M154 PolarHBondContact O-N 2.81Å; E152-G156 WeakPolarHBondContact O-CA 3.5Å; E152-G156 PolarHBondContact O-N 2.94Å
153R82.7Confident70.2Confident206 Ų206103.4 Ų103.478%0.77756%0.555SS**Hα-helixtrans-67.4-17.7176-70.5169.5-177.6-174.2-0.6114.8K149 T150 K151K149-R153 WeakPolarHBondContact O-CD 3.49Å; K149-R153 VanDerWaalsContact O-CG 3.28Å; K149-R153 WeakPolarHBondContact O-CG 3.2Å; K149-R153 PolarHBondContact O-N 3.16Å; T150-R153 PolarHBondContact O-N 3.26Å; K151-R153 PolarHBondContact O-N 3.44Å
154M70.3Confident67.8Low159 Ų159104.8 Ų104.878%0.78358%0.581SS**Hα-helixtrans-108.2-23.6-176.8-69.6178.4172.900113.3T150 K151 E152T150-M154 HydrophobicContact CG2-CE 4.08Å; T150-M154 HydrophobicContact CG2-SD 4.08Å; T150-M154 WeakPolarHBondContact O-CG 3.45Å; T150-M154 PolarHBondContact O-N 3.3Å; K151-M154 PolarHBondContact O-N 3.07Å; K151-M154 VanDerWaalsContact O-N 3.08Å; E152-M154 PolarHBondContact O-N 2.81Å
155G63.8Low65.2Low70 Ų70113.9 Ų113.972%0.72262%0.616SS**Hα-helixtrans-94.9-16.4169.700000113.7K151K151-G155 PolarHBondContact O-N 3.15Å
156G52.4Low63.1Low43 Ų43123.3 Ų123.344%0.44364%0.643SS.*SBendtrans-73.8129.9175.400000112.3E152E152-G156 WeakPolarHBondContact O-CA 3.5Å; E152-G156 PolarHBondContact O-N 2.94Å
157I52.6Low60.8Low157 Ų157123.2 Ų123.281%0.80565%0.65SS**PPolyproline II helixtrans-51.6135.6161-60.6168.6000107.5
158P45.8Very low58.5Low104 Ų104126.8 Ų126.868%0.67567%0.674SS**PPolyproline II helixtrans-54.6143.7179.422.8-34.4000110.6S160P158-S160 PolarHBondContact O-N 3.44Å
159P46.6Very low56.1Low117 Ų117132.1 Ų132.176%0.7670%0.697SS**  trans-54.9115.4-17422-33.4000109.9Y161P159-Y161 PolarHBondContact O-N 3.49Å; P159-Y161 VanDerWaalsContact O-N 3.12Å
160S42Very low54.1Low89 Ų89131.5 Ų131.562%0.62271%0.706SS**  trans-60.1117.9-171.3-172.60000109.8P158 H162P158-S160 PolarHBondContact O-N 3.44Å; S160-H162 VanDerWaalsContact C-N 3.32Å; S160-H162 PolarHBondContact O-N 3.38Å; S160-H162 PolarHBondContact O-ND1 3.15Å
161Y42.9Very low51.9Low224 Ų224133.7 Ų133.788%0.87872%0.724SS**  trans-64.491.9175-83.6-90.5000109.4P159 P163P159-Y161 PolarHBondContact O-N 3.49Å; P159-Y161 VanDerWaalsContact O-N 3.12Å; Y161-P163 WeakPolarHBondContact O-CD 3.42Å
162H42.6Very low49.7Very low166 Ų166139.8 Ų139.877%0.76976%0.755SS**  trans-63113.2178.2-58.7-37.6000110.3S160 G164S160-H162 VanDerWaalsContact C-N 3.32Å; S160-H162 PolarHBondContact O-N 3.38Å; S160-H162 PolarHBondContact O-ND1 3.15Å; H162-G164 PolarHBondContact O-N 3.5Å
163P48.6Very low47.7Very low131 Ų131136.3 Ų136.385%0.85175%0.75SS**  trans-80.1107.6-177.231.5-31.3000110.1Y161Y161-P163 WeakPolarHBondContact O-CD 3.42Å
164G42.7Very low45.5Very low74 Ų74132.7 Ų132.776%0.76375%0.751SS**  trans90.795.4161.900000116.4H162H162-G164 PolarHBondContact O-N 3.5Å
165R37.8Very low44.1Very low211 Ų211132.6 Ų132.680%0.79675%0.753SS**  trans-12375.8148.2-160.5178.9-162.1-81.1-0.5110.5T167R165-T167 PolarHBondContact O-N 2.93Å; R165-T167 VanDerWaalsContact O-N 3.12Å
166R47Very low42.6Very low252 Ų252140.5 Ų140.595%0.95176%0.763SS**  trans-65111.3164.1-76.3-167.9-177.9-84.43.1108.2
167T43.3Very low41.7Very low110 Ų110142.2 Ų142.268%0.67578%0.78SS**  trans-128.8147.4159.9-163.20000107R165R165-T167 PolarHBondContact O-N 2.93Å; R165-T167 VanDerWaalsContact O-N 3.12Å
168S40.4Very low40.7Very low100 Ų100143.4 Ų143.470%0.69978%0.782SS**  trans-110.9168.5-155.345.30000113.4
169Q38.3Very low40.1Very low179 Ų179145.4 Ų145.484%0.83678%0.783SS**  trans79.9150.8173-51.5-174.8-11.700116.3
170P46.6Very low39.4Very low111 Ų111148.3 Ų148.372%0.72178%0.784SS**  cis-131.7157.3-44.335.8-23000113
171S39.2Very low39Very low112 Ų112147.9 Ų147.978%0.78378%0.78SS**  trans-81.1119.5167.9-174.60000110
172M36.4Very low38.6Very low178 Ų178147.8 Ų147.888%0.87778%0.779SS**  trans-93.293.7163.7-84.1-63.7-62.900108.7
173A39.7Very low38.2Very low69 Ų69145 Ų14557%0.5778%0.777SS**  trans-94.9153.9170.800000110.6
174V37Very low37.7Very low131 Ų131150.4 Ų150.479%0.79478%0.781SS**  trans61.1109.5164.8-172.30000116.6
175L39.9Very low37.1Very low157 Ų157150.2 Ų150.282%0.82278%0.778SS**  -176.799.1126.7-102.6168000110.3
176Y33.5Very low37.3Very low236 Ų236146.3 Ų146.393%0.92578%0.783SS**SBendtrans168.5140.9141.2-101.3-67000111.2
177G32.8Very low37.2Very low78 Ų78140 Ų14080%0.80478%0.776SS**  trans82.881.5158.900000116.8
178E31.8Very low36.8Very low182 Ų182140.5 Ų140.585%0.8578%0.782SS**  trans-93.5170.2159.5-167.9161.8-165.900110.2
179E32.5Very low36.8Very low147 Ų147140.3 Ų140.369%0.68778%0.781SS**  trans91.1125169-64.6-67.7-170.400121.1
180F33.5Very low36.7Very low178 Ų178140.5 Ų140.578%0.78178%0.779SS**  trans61.6133.7165.9-77.3-120.6000118.7
181S33.6Very low36.2Very low79 Ų79142.1 Ų142.155%0.55278%0.782SS**  cis-160.7139.4-2.9-130.60000114.7
182R34Very low36Very low223 Ų223141 Ų14184%0.84277%0.774SS**  trans57.5126140.5-69.6178.7179.5-160-0.6122.4
183S34.6Very low36.1Very low106 Ų106138.4 Ų138.474%0.74177%0.773SS**  97100.6129.9-69.40000122.2
184R37.8Very low35.8Very low246 Ų246139.6 Ų139.693%0.92878%0.783SS**  70.3100.2106.9-163.4-168.8-143.3-161.87.3119.1
185G30Very low35.7Very low69 Ų69138.6 Ų138.671%0.71178%0.782SS**  trans114.4114.1130.200000117.1
186S41.1Very low35.3Very low129 Ų129136.6 Ų136.690%0.90278%0.781SS**  trans-71.3144.1155-44.50000110.2
187P46Very low35.8Very low121 Ų121131.3 Ų131.379%0.78678%0.776SS**  trans-128.4146.4146.137.4-27.8000112.5
188C34Very low36.1Very low119 Ų119138.7 Ų138.780%0.80478%0.779SS**  trans-80.2177.9154.760.20000108.9
189S39.4Very low36.8Very low97 Ų97135.6 Ų135.668%0.67878%0.784SS**  cis-164.8-177.211.4-1520000110.3
190F37.6Very low37.4Very low182 Ų182132.5 Ų132.580%0.79878%0.784SS**  trans68148170.6-89.2-116.3000116.4
191N36.2Very low38.3Very low145 Ų145125.6 Ų125.678%0.77576%0.758SS**  cis-131.7168.223.1-164.915.5000113.6
192S34.2Very low39.1Very low88 Ų88128.7 Ų128.762%0.61577%0.768SS**  trans-121.6177.3-161.2-63.60000115.9
193S38Very low40Very low124 Ų124125.4 Ų125.487%0.86777%0.767SS**  trans81.3137.6168.9-61.80000115.5
194A34.3Very low41Very low95 Ų95126.3 Ų126.379%0.78576%0.759SS**  cis-150.6-171.7-5.200000109.2
195S34.4Very low42Very low110 Ų110121.2 Ų121.277%0.76975%0.746SS**  cis-156.7163.34.548.30000110.8
196S31Very low43.4Very low115 Ų115121.5 Ų121.580%0.80474%0.741SS**  trans83.5128.5177.4-154.60000115.8
197P44Very low44.5Very low124 Ų124124.4 Ų124.481%0.80573%0.733SS**  trans-83.6147.1-170.633.5-35.6000113.6
198R41Very low45.4Very low234 Ų234120.7 Ų120.788%0.88371%0.709SS**  trans-81.7145.8165.1-72.1178.7172.1171.4-3.2110.1A200R198-A200 PolarHBondContact O-N 3.26Å
199A45.3Very low47.2Very low116 Ų116122.5 Ų122.596%0.95971%0.705SS**  trans-73.97217100000111.8
200A45.5Very low49.2Very low82 Ų82122.1 Ų122.168%0.67870%0.699SS**  trans-95.4144.314300000106.6R198R198-A200 PolarHBondContact O-N 3.26Å
201S51.8Low51Low34 Ų34118.2 Ų118.224%0.23869%0.694CS.*  cis-154.976.719.5-151.10000114.2L203 E204 Q205S201-L203 PolarHBondContact O-N 3.4Å; S201-L203 VanDerWaalsContact O-N 3.1Å; S201-E204 WeakPolarHBondContact CB-OE2 3.48Å; S201-E204 PolarHBondContact O-N 2.9Å; S201-E204 VanDerWaalsContact O-N 3.1Å; S201-E204 WeakPolarHBondContact OG-CB 3.3Å; S201-E204 VanDerWaalsContact OG-CG 3.31Å; S201-E204 WeakPolarHBondContact OG-CG 3.47Å; S201-E204 PolarHBondContact OG-N 2.84Å; S201-E204 PolarHBondContact OG-OE2 3.16Å; S201-Q205 WeakPolarHBondContact O-CG 3.29Å; S201-Q205 PolarHBondContact O-N 2.91Å; S201-Q205 VanDerWaalsContact O-N 3.11Å; S201-Q205 PolarHBondContact O-OE1 2.74Å
202D50.5Low53.3Low143 Ų143113.9 Ų113.977%0.76568%0.684SS**Hα-helixtrans-51.7-31.4167.6-108.9-38.7000111.7Q205 A206D202-Q205 PolarHBondContact O-N 3.3Å; D202-A206 PolarHBondContact O-N 3.17Å
203L53.1Low55.8Low155 Ų155112.8 Ų112.881%0.81267%0.669SS**Hα-helixtrans-77.8-24.5-177.8-162.866.9000113.9S201S201-L203 PolarHBondContact O-N 3.4Å; S201-L203 VanDerWaalsContact O-N 3.1Å
204E56.3Low57.8Low125 Ų125112.7 Ų112.758%0.58466%0.655SS**Hα-helixtrans-87.8-23.3170.6-72.4171.7113.100112.1S201 A206 R207S201-E204 WeakPolarHBondContact CB-OE2 3.48Å; S201-E204 PolarHBondContact O-N 2.9Å; S201-E204 VanDerWaalsContact O-N 3.1Å; S201-E204 WeakPolarHBondContact OG-CB 3.3Å; S201-E204 VanDerWaalsContact OG-CG 3.31Å; S201-E204 WeakPolarHBondContact OG-CG 3.47Å; S201-E204 PolarHBondContact OG-N 2.84Å; S201-E204 PolarHBondContact OG-OE2 3.16Å; E204-A206 PolarHBondContact O-N 3.18Å; E204-R207 WeakPolarHBondContact O-CB 3.44Å; E204-R207 PolarHBondContact O-N 3.23Å; E204-R207 VanDerWaalsContact O-N 3.17Å
205Q58.6Low60.4Low139 Ų139113.7 Ų113.765%0.6564%0.643SS**Hα-helixtrans-72.2-17.3175.6-69.4173-77.100113.1S201 D202S201-Q205 WeakPolarHBondContact O-CG 3.29Å; S201-Q205 PolarHBondContact O-N 2.91Å; S201-Q205 VanDerWaalsContact O-N 3.11Å; S201-Q205 PolarHBondContact O-OE1 2.74Å; D202-Q205 PolarHBondContact O-N 3.3Å
206A58.4Low63.1Low74 Ų74113.9 Ų113.961%0.61264%0.635SS**THydrogen-bonded Turntrans-87.1-0.1170.500000114.1D202 E204D202-A206 PolarHBondContact O-N 3.17Å; E204-A206 PolarHBondContact O-N 3.18Å
207R64.8Low65.9Low190 Ų190112.2 Ų112.272%0.71761%0.614SS**SBendtrans-98.9120-179.1-169.7179-168.7128.74.8109.4E204 Q209E204-R207 WeakPolarHBondContact O-CB 3.44Å; E204-R207 PolarHBondContact O-N 3.23Å; E204-R207 VanDerWaalsContact O-N 3.17Å; R207-Q209 WeakPolarHBondContact O-CG 3.16Å; R207-Q209 PolarHBondContact O-N 3.06Å
208P65.9Low68.2Low44 Ų44110.4 Ų110.429%0.28660%0.597SS.*  trans-58.7127.4-178.222.7-32.4000110.4E213 E214P208-E213 WeakPolarHBondContact CA-OE2 3.29Å; P208-E213 HydrophobicContact CB-CB 4.24Å; P208-E213 HydrophobicContact CB-CG 4.03Å; P208-E214 HydrophobicContact CB-CB 4.22Å; P208-E214 HydrophobicContact CG-CB 4.32Å
209Q71.3Confident70.7Confident157 Ų157105.3 Ų105.373%0.73458%0.584SS**  trans-94.1-10.9-174.1-59.7-165.4-4.500112.5R207 E213R207-Q209 WeakPolarHBondContact O-CG 3.16Å; R207-Q209 PolarHBondContact O-N 3.06Å; Q209-E213 PolarHBondContact N-OE2 3Å
210T80.1Confident73.1Confident88 Ų88105 Ų10554%0.5457%0.565SS.*SBendtrans-138151.8176.567.50000111.2G212 E213 E214T210-G212 PolarHBondContact O-N 3.45Å; T210-E213 WeakPolarHBondContact O-CB 3.32Å; T210-E213 PolarHBondContact O-N 3.17Å; T210-E213 VanDerWaalsContact O-N 3.08Å; T210-E213 WeakPolarHBondContact OG1-CB 3.45Å; T210-E213 PolarHBondContact OG1-N 2.94Å; T210-E214 PolarHBondContact O-N 3.06Å; T210-E214 VanDerWaalsContact O-N 3.14Å
211S75.9Confident75.2Confident101 Ų101103.8 Ų103.871%0.70656%0.555SS**Hα-helixtrans-65.4-22176.949.50000113.9E215S211-E215 PolarHBondContact O-N 3.07Å
212G84.6Confident77.3Confident53 Ų53106.6 Ų106.655%0.54657%0.567SS.*Hα-helixtrans-74.8-28.517200000113.4T210 L216T210-G212 PolarHBondContact O-N 3.45Å; G212-L216 PolarHBondContact O-N 3.37Å
213E85.9Confident79.2Confident66 Ų66102.3 Ų102.331%0.30855%0.552SS.*Hα-helixtrans-75.1-39.2173.2-175.3-177.3-17100111.3P208 Q209 T210 E215 L216 Q217P208-E213 WeakPolarHBondContact CA-OE2 3.29Å; P208-E213 HydrophobicContact CB-CB 4.24Å; P208-E213 HydrophobicContact CB-CG 4.03Å; Q209-E213 PolarHBondContact N-OE2 3Å; T210-E213 WeakPolarHBondContact O-CB 3.32Å; T210-E213 PolarHBondContact O-N 3.17Å; T210-E213 VanDerWaalsContact O-N 3.08Å; T210-E213 WeakPolarHBondContact OG1-CB 3.45Å; T210-E213 PolarHBondContact OG1-N 2.94Å; E213-E215 PolarHBondContact O-N 3.4Å; E213-L216 PolarHBondContact O-N 3.06Å; E213-Q217 HydrophobicContact CG-CG 4.47Å; E213-Q217 WeakPolarHBondContact O-CG 2.99Å; E213-Q217 PolarHBondContact O-N 3.18Å; E213-Q217 PolarHBondContact OE1-NE2 3.05Å
214E81.6Confident80.9Confident121 Ų12199.9 Ų99.957%0.56554%0.538SS*.Hα-helixtrans-58.1-46.3175.7-172.6174.6-17200112P208 T210 L216 Q217 L218P208-E214 HydrophobicContact CB-CB 4.22Å; P208-E214 HydrophobicContact CG-CB 4.32Å; T210-E214 PolarHBondContact O-N 3.06Å; T210-E214 VanDerWaalsContact O-N 3.14Å; E214-L216 PolarHBondContact O-N 3.22Å; E214-Q217 PolarHBondContact O-N 3.38Å; E214-L218 VanDerWaalsContact O-CB 3.32Å; E214-L218 WeakPolarHBondContact O-CB 3.43Å; E214-L218 PolarHBondContact O-N 3.45Å
215E87.9Confident82.7Confident116 Ų11697.2 Ų97.254%0.54253%0.533SS..Hα-helixtrans-63.9-38.5175.7-175.362.4-145.900112.2S211 E213 L218 Q219S211-E215 PolarHBondContact O-N 3.07Å; E213-E215 PolarHBondContact O-N 3.4Å; E215-L218 PolarHBondContact O-N 3.28Å; E215-Q219 WeakPolarHBondContact O-CB 3.4Å; E215-Q219 PolarHBondContact O-N 3.05Å
216L90.8Very high84.4Confident115 Ų11598.8 Ų98.860%0.60253%0.533SS*.Hα-helixtrans-67.5-42.3177.3-177.264.2000111.9G212 E213 E214 Q219 L220G212-L216 PolarHBondContact O-N 3.37Å; E213-L216 PolarHBondContact O-N 3.06Å; E214-L216 PolarHBondContact O-N 3.22Å; L216-Q219 PolarHBondContact O-N 3.38Å; L216-L220 WeakPolarHBondContact O-CB 3.2Å; L216-L220 PolarHBondContact O-N 2.95Å
217Q90.3Very high86Confident79 Ų79101 Ų10137%0.36953%0.531SS..Hα-helixtrans-64.3-40.7174.3-70.5-178.5900111.2E213 E214 L220 A221E213-Q217 HydrophobicContact CG-CG 4.47Å; E213-Q217 WeakPolarHBondContact O-CG 2.99Å; E213-Q217 PolarHBondContact O-N 3.18Å; E213-Q217 PolarHBondContact OE1-NE2 3.05Å; E214-Q217 PolarHBondContact O-N 3.38Å; Q217-L220 PolarHBondContact O-N 3.29Å; Q217-A221 WeakPolarHBondContact O-CB 3.42Å; Q217-A221 PolarHBondContact O-N 3.28Å
218L92.6Very high87Confident86 Ų8698.1 Ų98.145%0.4553%0.525SS..Hα-helixtrans-62.8-46174.4177.960.4000111.8E214 E215 L220 A221 L222E214-L218 VanDerWaalsContact O-CB 3.32Å; E214-L218 WeakPolarHBondContact O-CB 3.43Å; E214-L218 PolarHBondContact O-N 3.45Å; E215-L218 PolarHBondContact O-N 3.28Å; L218-L220 VanDerWaalsContact C-N 3.34Å; L218-L220 PolarHBondContact O-N 3.17Å; L218-A221 PolarHBondContact O-N 2.9Å; L218-L222 HydrophobicContact CD1-CD1 4.11Å; L218-L222 HydrophobicContact CD1-CG 4.23Å; L218-L222 HydrophobicContact CG-CD1 4.07Å; L218-L222 WeakPolarHBondContact O-CB 3.47Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.39Å; L218-L222 PolarHBondContact O-N 3.14Å
219Q93.3Very high88Confident127 Ų12799.1 Ų99.159%0.59353%0.533SS*.Hα-helixtrans-63.7-39.4178.2-172.5170.563.900111.7E215 L216 L222 A223E215-Q219 WeakPolarHBondContact O-CB 3.4Å; E215-Q219 PolarHBondContact O-N 3.05Å; L216-Q219 PolarHBondContact O-N 3.38Å; Q219-L222 PolarHBondContact O-N 3.4Å; Q219-A223 WeakPolarHBondContact O-CB 3.46Å; Q219-A223 PolarHBondContact O-N 3.33Å
220L95Very high89Confident109 Ų10997.7 Ų97.757%0.57153%0.526SS*.Hα-helixtrans-64.2-45.6172.9179.860.2000111.8L216 Q217 L218 L222 A223 M224L216-L220 WeakPolarHBondContact O-CB 3.2Å; L216-L220 PolarHBondContact O-N 2.95Å; Q217-L220 PolarHBondContact O-N 3.29Å; L218-L220 VanDerWaalsContact C-N 3.34Å; L218-L220 PolarHBondContact O-N 3.17Å; L220-L222 VanDerWaalsContact C-N 3.33Å; L220-L222 PolarHBondContact O-N 2.95Å; L220-A223 WeakPolarHBondContact O-CB 3.49Å; L220-A223 PolarHBondContact O-N 2.69Å; L220-A223 VanDerWaalsContact O-N 3.14Å; L220-M224 HydrophobicContact CD1-CG 4.29Å; L220-M224 WeakPolarHBondContact O-CG 3.37Å; L220-M224 PolarHBondContact O-N 2.97Å
221A90.9Very high89.6Confident57 Ų57100.6 Ų100.647%0.47153%0.531SS..Hα-helixtrans-61.1-41177.400000112.2Q217 L218 M224 S225Q217-A221 WeakPolarHBondContact O-CB 3.42Å; Q217-A221 PolarHBondContact O-N 3.28Å; L218-A221 PolarHBondContact O-N 2.9Å; A221-M224 PolarHBondContact O-N 2.98Å; A221-S225 VanDerWaalsContact O-CB 3.27Å; A221-S225 WeakPolarHBondContact O-CB 3.09Å; A221-S225 PolarHBondContact O-N 3.1Å
222L94.5Very high90.3Very high93 Ų93100.4 Ų100.449%0.48752%0.522SS..Hα-helixtrans-67.2-33.6174.5-70.5171.3000112.6L218 Q219 L220 R226L218-L222 HydrophobicContact CD1-CD1 4.11Å; L218-L222 HydrophobicContact CD1-CG 4.23Å; L218-L222 HydrophobicContact CG-CD1 4.07Å; L218-L222 WeakPolarHBondContact O-CB 3.47Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.39Å; L218-L222 PolarHBondContact O-N 3.14Å; Q219-L222 PolarHBondContact O-N 3.4Å; L220-L222 VanDerWaalsContact C-N 3.33Å; L220-L222 PolarHBondContact O-N 2.95Å; L222-R226 WeakPolarHBondContact O-CB 3.4Å; L222-R226 VanDerWaalsContact O-CG 3.24Å; L222-R226 WeakPolarHBondContact O-CG 3.39Å; L222-R226 PolarHBondContact O-N 2.55Å; L222-R226 VanDerWaalsContact O-N 3.11Å
223A92.1Very high90.6Very high53 Ų53103 Ų10344%0.43852%0.52SS..Hα-helixtrans-68-49.1173.500000111.7Q219 L220 S225 R226 E227Q219-A223 WeakPolarHBondContact O-CB 3.46Å; Q219-A223 PolarHBondContact O-N 3.33Å; L220-A223 WeakPolarHBondContact O-CB 3.49Å; L220-A223 PolarHBondContact O-N 2.69Å; L220-A223 VanDerWaalsContact O-N 3.14Å; A223-S225 PolarHBondContact O-N 3.23Å; A223-R226 WeakPolarHBondContact O-CB 3.25Å; A223-R226 PolarHBondContact O-N 2.71Å; A223-R226 VanDerWaalsContact O-N 3.15Å; A223-E227 PolarHBondContact O-N 2.9Å
224M88.8Confident91Very high105 Ų105104.3 Ų104.352%0.51753%0.532SS..Hα-helixtrans-58.9-44.9176.2-68-59.1-56.400111.8L220 A221 R226 E227 E228L220-M224 HydrophobicContact CD1-CG 4.29Å; L220-M224 WeakPolarHBondContact O-CG 3.37Å; L220-M224 PolarHBondContact O-N 2.97Å; A221-M224 PolarHBondContact O-N 2.98Å; M224-R226 VanDerWaalsContact C-N 3.3Å; M224-R226 PolarHBondContact O-N 3.46Å; M224-E227 PolarHBondContact O-N 3.3Å; M224-E228 PolarHBondContact O-N 3.48Å
225S93.4Very high91.6Very high69 Ų69104.1 Ų104.148%0.48354%0.535SS..Hα-helixtrans-63-34.7177-175.90000112.6A221 A223 S229A221-S225 VanDerWaalsContact O-CB 3.27Å; A221-S225 WeakPolarHBondContact O-CB 3.09Å; A221-S225 PolarHBondContact O-N 3.1Å; A223-S225 PolarHBondContact O-N 3.23Å; S225-S229 WeakPolarHBondContact O-CB 3.49Å; S225-S229 PolarHBondContact O-N 2.99Å; S225-S229 PolarHBondContact O-OG 3.35Å
226R94.1Very high91.7Very high172 Ų172103.9 Ų103.965%0.64954%0.536SS*.Hα-helixtrans-70.2-37.6173-78.4173.3176.6-176.91112.8L222 A223 M224 S229 Q230L222-R226 WeakPolarHBondContact O-CB 3.4Å; L222-R226 VanDerWaalsContact O-CG 3.24Å; L222-R226 WeakPolarHBondContact O-CG 3.39Å; L222-R226 PolarHBondContact O-N 2.55Å; L222-R226 VanDerWaalsContact O-N 3.11Å; A223-R226 WeakPolarHBondContact O-CB 3.25Å; A223-R226 PolarHBondContact O-N 2.71Å; A223-R226 VanDerWaalsContact O-N 3.15Å; M224-R226 VanDerWaalsContact C-N 3.3Å; M224-R226 PolarHBondContact O-N 3.46Å; R226-S229 WeakPolarHBondContact CA-OG 3.28Å; R226-S229 PolarHBondContact O-OG 3.19Å; R226-Q230 WeakPolarHBondContact O-CB 3.48Å; R226-Q230 WeakPolarHBondContact O-CG 3.35Å; R226-Q230 PolarHBondContact O-N 2.99Å; R226-Q230 VanDerWaalsContact O-N 3.15Å; R226-Q230 PolarHBondContact O-NE2 3.42Å; R226-Q230 VanDerWaalsContact O-NE2 3.07Å
227E93.1Very high91.7Very high121 Ų121103.6 Ų103.657%0.56553%0.531SS*.Hα-helixtrans-65.7-48.3174.3-173.5-176.8-16800111.1A223 M224 S229 Q230 K231A223-E227 PolarHBondContact O-N 2.9Å; M224-E227 PolarHBondContact O-N 3.3Å; E227-S229 PolarHBondContact O-N 2.91Å; E227-Q230 PolarHBondContact O-N 3.18Å; E227-K231 WeakPolarHBondContact O-CB 3.02Å; E227-K231 PolarHBondContact O-N 3.48Å
228E85.1Confident91.8Very high128 Ų128108.1 Ų108.160%0.59855%0.545SS*.Hα-helixtrans-62.9-45.2-178.6-175.4171.1-145.200112M224 Q230 K231 L232M224-E228 PolarHBondContact O-N 3.48Å; E228-Q230 PolarHBondContact O-N 2.86Å; E228-K231 WeakPolarHBondContact O-CB 3.33Å; E228-K231 PolarHBondContact O-N 3.14Å; E228-L232 HydrophobicContact CG-CD1 4.39Å; E228-L232 WeakPolarHBondContact O-CG 3.35Å; E228-L232 PolarHBondContact O-N 3.3Å
229S86.1Confident91.7Very high66 Ų66105.9 Ų105.946%0.46254%0.542SS..Hα-helixtrans-64.6-36.9176.952.40000113S225 R226 E227 H233S225-S229 WeakPolarHBondContact O-CB 3.49Å; S225-S229 PolarHBondContact O-N 2.99Å; S225-S229 PolarHBondContact O-OG 3.35Å; R226-S229 WeakPolarHBondContact CA-OG 3.28Å; R226-S229 PolarHBondContact O-OG 3.19Å; E227-S229 PolarHBondContact O-N 2.91Å; S229-H233 WeakPolarHBondContact O-CB 3.39Å; S229-H233 PolarHBondContact O-N 3.09Å
230Q91.8Very high91.4Very high126 Ų126103.7 Ų103.759%0.58954%0.538SS*.Hα-helixtrans-64-43.9171.3-75.8170.454.600111.8R226 E227 E228 L232 H233 V234R226-Q230 WeakPolarHBondContact O-CB 3.48Å; R226-Q230 WeakPolarHBondContact O-CG 3.35Å; R226-Q230 PolarHBondContact O-N 2.99Å; R226-Q230 VanDerWaalsContact O-N 3.15Å; R226-Q230 PolarHBondContact O-NE2 3.42Å; R226-Q230 VanDerWaalsContact O-NE2 3.07Å; E227-Q230 PolarHBondContact O-N 3.18Å; E228-Q230 PolarHBondContact O-N 2.86Å; Q230-L232 PolarHBondContact O-N 2.99Å; Q230-H233 PolarHBondContact O-N 2.94Å; Q230-V234 WeakPolarHBondContact O-CG2 3.07Å; Q230-V234 PolarHBondContact O-N 3.23Å
231K94.1Very high91.1Very high149 Ų149105.6 Ų105.665%0.64854%0.542SS*.Hα-helixtrans-61.9-42.7178.1-173.3177.9-178.4178.60112E227 E228 L235E227-K231 WeakPolarHBondContact O-CB 3.02Å; E227-K231 PolarHBondContact O-N 3.48Å; E228-K231 WeakPolarHBondContact O-CB 3.33Å; E228-K231 PolarHBondContact O-N 3.14Å; K231-L235 WeakPolarHBondContact O-CB 3.42Å; K231-L235 PolarHBondContact O-N 3.02Å
232L89.5Confident90.9Very high98 Ų98106.8 Ų106.851%0.51354%0.537SS..Hα-helixtrans-64.6-43.8173.5-70.2176.1000111.9E228 Q230 V234 L235 I236E228-L232 HydrophobicContact CG-CD1 4.39Å; E228-L232 WeakPolarHBondContact O-CG 3.35Å; E228-L232 PolarHBondContact O-N 3.3Å; Q230-L232 PolarHBondContact O-N 2.99Å; L232-V234 PolarHBondContact O-N 3.29Å; L232-L235 PolarHBondContact O-N 3.13Å; L232-L235 VanDerWaalsContact O-N 3.15Å; L232-I236 WeakPolarHBondContact O-CG1 3.29Å; L232-I236 PolarHBondContact O-N 3.03Å
233H92.2Very high90.4Very high107 Ų107109.4 Ų109.450%0.49555%0.547SS..Hα-helixtrans-60.7-43.2176.7175.5-117.4000112.4S229 Q230 L235 I236 Q237S229-H233 WeakPolarHBondContact O-CB 3.39Å; S229-H233 PolarHBondContact O-N 3.09Å; Q230-H233 PolarHBondContact O-N 2.94Å; H233-L235 VanDerWaalsContact C-N 3.32Å; H233-L235 PolarHBondContact O-N 3.27Å; H233-I236 PolarHBondContact O-N 3.01Å; H233-Q237 PolarHBondContact CE1-NE2 3.34Å; H233-Q237 PolarHBondContact NE2-NE2 3.13Å; H233-Q237 VanDerWaalsContact NE2-NE2 3.17Å; H233-Q237 WeakPolarHBondContact O-CG 3.48Å; H233-Q237 PolarHBondContact O-N 3.39Å
234V93.5Very high89.9Confident94 Ų94116 Ų11657%0.5756%0.56SS**Hα-helixtrans-62.2-38.6173.8170.10000111.7Q230 L232 Q237 R238Q230-V234 WeakPolarHBondContact O-CG2 3.07Å; Q230-V234 PolarHBondContact O-N 3.23Å; L232-V234 PolarHBondContact O-N 3.29Å; V234-Q237 PolarHBondContact O-N 3.25Å; V234-R238 PolarHBondContact O-N 3.43Å
235L93.8Very high89.8Confident117 Ų117114.1 Ų114.161%0.61356%0.557SS**Hα-helixtrans-69-39.2178.8-159.2153.4000111.8K231 L232 H233 R238 G239K231-L235 WeakPolarHBondContact O-CB 3.42Å; K231-L235 PolarHBondContact O-N 3.02Å; L232-L235 PolarHBondContact O-N 3.13Å; L232-L235 VanDerWaalsContact O-N 3.15Å; H233-L235 VanDerWaalsContact C-N 3.32Å; H233-L235 PolarHBondContact O-N 3.27Å; L235-R238 PolarHBondContact O-N 2.98Å; L235-G239 PolarHBondContact O-N 2.7Å
236I91.6Very high89.5Confident110 Ų110118 Ų11856%0.56456%0.561SS**Hα-helixtrans-64.2-42.9172.5-67.1164.3000111.1L232 H233 R238 G239 T240L232-I236 WeakPolarHBondContact O-CG1 3.29Å; L232-I236 PolarHBondContact O-N 3.03Å; H233-I236 PolarHBondContact O-N 3.01Å; I236-R238 VanDerWaalsContact C-N 3.33Å; I236-R238 PolarHBondContact O-N 2.88Å; I236-G239 PolarHBondContact O-N 3.49Å; I236-T240 WeakPolarHBondContact O-CG2 3.49Å; I236-T240 PolarHBondContact O-N 3.01Å; I236-T240 PolarHBondContact O-OG1 3.46Å
237Q90.3Very high89.2Confident109 Ų109115.8 Ų115.851%0.50956%0.558SS.*Hα-helixtrans-62.5-38.2173.4-74.5-163.64.800112.4H233 V234 T240 K241H233-Q237 PolarHBondContact CE1-NE2 3.34Å; H233-Q237 PolarHBondContact NE2-NE2 3.13Å; H233-Q237 VanDerWaalsContact NE2-NE2 3.17Å; H233-Q237 WeakPolarHBondContact O-CG 3.48Å; H233-Q237 PolarHBondContact O-N 3.39Å; V234-Q237 PolarHBondContact O-N 3.25Å; Q237-T240 WeakPolarHBondContact CA-OG1 3.1Å; Q237-T240 PolarHBondContact O-OG1 3.02Å; Q237-K241 VanDerWaalsContact O-CB 3.29Å; Q237-K241 WeakPolarHBondContact O-CB 3.31Å; Q237-K241 PolarHBondContact O-N 3.37Å
238R92Very high89.1Confident175 Ų175111.9 Ų111.966%0.6655%0.551SS**Hα-helixtrans-63.1-49.8174.8-179.1178169.3174.6-2.3111.6V234 L235 I236 K241 E242V234-R238 PolarHBondContact O-N 3.43Å; L235-R238 PolarHBondContact O-N 2.98Å; I236-R238 VanDerWaalsContact C-N 3.33Å; I236-R238 PolarHBondContact O-N 2.88Å; R238-K241 PolarHBondContact O-N 2.8Å; R238-E242 WeakPolarHBondContact O-CB 3.44Å; R238-E242 PolarHBondContact O-N 3.14Å
239G90.1Very high89.3Confident38 Ų38110.7 Ų110.739%0.39255%0.548SS..Hα-helixtrans-61.2-45.2179.900000112.9L235 I236 K241 E242 Q243L235-G239 PolarHBondContact O-N 2.7Å; I236-G239 PolarHBondContact O-N 3.49Å; G239-K241 PolarHBondContact O-N 3.3Å; G239-E242 PolarHBondContact O-N 2.82Å; G239-Q243 PolarHBondContact O-N 3.46Å
240T87.4Confident89.5Confident81 Ų81112.6 Ų112.650%0.49755%0.553SS.*Hα-helixtrans-67.1-32.8177.149.50000113.2I236 Q237 R244I236-T240 WeakPolarHBondContact O-CG2 3.49Å; I236-T240 PolarHBondContact O-N 3.01Å; I236-T240 PolarHBondContact O-OG1 3.46Å; Q237-T240 WeakPolarHBondContact CA-OG1 3.1Å; Q237-T240 PolarHBondContact O-OG1 3.02Å; T240-R244 PolarHBondContact O-N 3.26Å
241K88.4Confident89.5Confident150 Ų150110 Ų11065%0.65255%0.549SS*.Hα-helixtrans-67.8-45.3170.4-176.2177.1178.4-179.10111.6Q237 R238 G239 Q243 R244 C245Q237-K241 VanDerWaalsContact O-CB 3.29Å; Q237-K241 WeakPolarHBondContact O-CB 3.31Å; Q237-K241 PolarHBondContact O-N 3.37Å; R238-K241 PolarHBondContact O-N 2.8Å; G239-K241 PolarHBondContact O-N 3.3Å; K241-Q243 PolarHBondContact O-N 2.97Å; K241-R244 WeakPolarHBondContact O-CB 2.96Å; K241-R244 PolarHBondContact O-N 3.19Å; K241-C245 PolarHBondContact O-N 2.74Å; K241-C245 PolarHBondContact O-SG 3.14Å
242E87.2Confident89.5Confident82 Ų82108.6 Ų108.638%0.38355%0.548SS..Hα-helixtrans-63.4-41.3-179.2-164.6178.313400111.7R238 G239 R244 C245 R246R238-E242 WeakPolarHBondContact O-CB 3.44Å; R238-E242 PolarHBondContact O-N 3.14Å; G239-E242 PolarHBondContact O-N 2.82Å; E242-R244 VanDerWaalsContact C-N 3.33Å; E242-R244 PolarHBondContact O-N 2.96Å; E242-C245 WeakPolarHBondContact O-CB 3.2Å; E242-C245 PolarHBondContact O-N 3.18Å; E242-R246 WeakPolarHBondContact O-CG 3.33Å; E242-R246 PolarHBondContact O-N 3.32Å; E242-R246 VanDerWaalsContact O-N 3.1Å; E242-R246 IonicContact OE1-CZ 2.66Å; E242-R246 IonicContact OE1-NE 3.81Å; E242-R246 IonicContact OE1-NH2 3.72Å; E242-R246 PolarHBondContact OE1-NH2 3.07Å
243Q83.4Confident89.6Confident147 Ų147108.8 Ų108.869%0.68755%0.549SS*.Hα-helixtrans-66.7-32.8174.8-170.7162-4.300112.7G239 K241 Q247G239-Q243 PolarHBondContact O-N 3.46Å; K241-Q243 PolarHBondContact O-N 2.97Å; Q243-Q247 WeakPolarHBondContact O-CB 3.4Å; Q243-Q247 PolarHBondContact O-N 2.84Å
244R82.5Confident89.6Confident191 Ų191108.5 Ų108.572%0.72155%0.548SS*.Hα-helixtrans-68.3-35.8172.2-167.9-172.8-59.9-179.71.3112.5T240 K241 E242 G248T240-R244 PolarHBondContact O-N 3.26Å; K241-R244 WeakPolarHBondContact O-CB 2.96Å; K241-R244 PolarHBondContact O-N 3.19Å; E242-R244 VanDerWaalsContact C-N 3.33Å; E242-R244 PolarHBondContact O-N 2.96Å; R244-G248 PolarHBondContact O-N 3.48Å; R244-G248 VanDerWaalsContact O-N 3.09Å
245C86.8Confident89.6Confident67 Ų67109.7 Ų109.745%0.45355%0.545SS..Hα-helixtrans-61.3-53.7173-70.30000110.4K241 E242 Q247 G248 D249K241-C245 PolarHBondContact O-N 2.74Å; K241-C245 PolarHBondContact O-SG 3.14Å; E242-C245 WeakPolarHBondContact O-CB 3.2Å; E242-C245 PolarHBondContact O-N 3.18Å; C245-Q247 VanDerWaalsContact C-N 3.32Å; C245-Q247 PolarHBondContact O-N 2.95Å; C245-G248 WeakPolarHBondContact O-CA 3.34Å; C245-G248 PolarHBondContact O-N 2.85Å; C245-D249 PolarHBondContact O-N 2.95Å
246R87.5Confident89.4Confident149 Ų149106.7 Ų106.756%0.56254%0.537SS*.Hα-helixtrans-54.6-45.3177.7-62.9178.2-166.7-158.15112.3E242 G248 D249 D250E242-R246 WeakPolarHBondContact O-CG 3.33Å; E242-R246 PolarHBondContact O-N 3.32Å; E242-R246 VanDerWaalsContact O-N 3.1Å; E242-R246 IonicContact OE1-CZ 2.66Å; E242-R246 IonicContact OE1-NE 3.81Å; E242-R246 IonicContact OE1-NH2 3.72Å; E242-R246 PolarHBondContact OE1-NH2 3.07Å; R246-G248 VanDerWaalsContact C-N 3.26Å; R246-G248 PolarHBondContact O-N 2.71Å; R246-D249 PolarHBondContact O-N 2.97Å; R246-D249 VanDerWaalsContact O-N 3.14Å; R246-D250 VanDerWaalsContact O-CG 3.24Å; R246-D250 PolarHBondContact O-N 3.5Å
247Q86.7Confident89.3Confident127 Ų127106.1 Ų106.159%0.59354%0.535SS*.Hα-helixtrans-61.5-32.4176-171.9179.518.200113.2Q243 C245 S251Q243-Q247 WeakPolarHBondContact O-CB 3.4Å; Q243-Q247 PolarHBondContact O-N 2.84Å; C245-Q247 VanDerWaalsContact C-N 3.32Å; C245-Q247 PolarHBondContact O-N 2.95Å; Q247-S251 WeakPolarHBondContact O-CB 3.3Å; Q247-S251 PolarHBondContact O-N 3.3Å; Q247-S251 VanDerWaalsContact O-N 3.09Å; Q247-S251 PolarHBondContact O-OG 3.5Å
248G90.8Very high89.3Confident39 Ų39104 Ų10440%0.40253%0.528SS..Hα-helixtrans-68.7-43.617300000112.4R244 C245 R246 S251 L252R244-G248 PolarHBondContact O-N 3.48Å; R244-G248 VanDerWaalsContact O-N 3.09Å; C245-G248 WeakPolarHBondContact O-CA 3.34Å; C245-G248 PolarHBondContact O-N 2.85Å; R246-G248 VanDerWaalsContact C-N 3.26Å; R246-G248 PolarHBondContact O-N 2.71Å; G248-S251 PolarHBondContact O-N 3.22Å; G248-L252 PolarHBondContact O-N 3.39Å
249D89.9Confident89.1Confident103 Ų10399.4 Ų99.455%0.55151%0.514SS*.Hα-helixtrans-64.6-44.3177.2-55.5-37.2000111.1C245 R246 S251 L252 L253C245-D249 PolarHBondContact O-N 2.95Å; R246-D249 PolarHBondContact O-N 2.97Å; R246-D249 VanDerWaalsContact O-N 3.14Å; D249-S251 VanDerWaalsContact C-N 3.32Å; D249-S251 PolarHBondContact O-N 3.43Å; D249-L252 PolarHBondContact O-N 2.96Å; D249-L253 PolarHBondContact O-N 2.98Å
250D91.3Very high89.1Confident105 Ų105101.1 Ų101.156%0.56152%0.519SS*.Hα-helixtrans-59.1-41.3173.4-67.3-32.9000111.7R246 L253 Q254R246-D250 VanDerWaalsContact O-CG 3.24Å; R246-D250 PolarHBondContact O-N 3.5Å; D250-L253 PolarHBondContact O-N 2.63Å; D250-Q254 PolarHBondContact O-N 3.29Å
251S91.4Very high89.2Confident73 Ų73104.6 Ų104.651%0.5152%0.523SS..Hα-helixtrans-68-35.1178.1-59.60000112.4Q247 G248 D249 K255Q247-S251 WeakPolarHBondContact O-CB 3.3Å; Q247-S251 PolarHBondContact O-N 3.3Å; Q247-S251 VanDerWaalsContact O-N 3.09Å; Q247-S251 PolarHBondContact O-OG 3.5Å; G248-S251 PolarHBondContact O-N 3.22Å; D249-S251 VanDerWaalsContact C-N 3.32Å; D249-S251 PolarHBondContact O-N 3.43Å; S251-K255 PolarHBondContact O-N 3.06Å; S251-K255 VanDerWaalsContact O-N 3.13Å
252L92.9Very high88.9Confident119 Ų119103.6 Ų103.662%0.62352%0.515SS*.Hα-helixtrans-69.5-42.5175.118061.4000111.2G248 D249 K255 A256G248-L252 PolarHBondContact O-N 3.39Å; D249-L252 PolarHBondContact O-N 2.96Å; L252-K255 PolarHBondContact O-N 2.71Å; L252-A256 PolarHBondContact O-N 3.19Å
253L92.3Very high88.4Confident102 Ų102105.7 Ų105.753%0.53453%0.525SS..Hα-helixtrans-60.8-47.6174.7177.360.5000111.5D249 D250 K255 A256 L257D249-L253 PolarHBondContact O-N 2.98Å; D250-L253 PolarHBondContact O-N 2.63Å; L253-K255 VanDerWaalsContact C-N 3.31Å; L253-K255 PolarHBondContact O-N 3.1Å; L253-A256 PolarHBondContact O-N 2.97Å; L253-A256 VanDerWaalsContact O-N 3.13Å; L253-L257 HydrophobicContact CD1-CD1 4.44Å; L253-L257 HydrophobicContact CD1-CG 4.41Å; L253-L257 HydrophobicContact CG-CD1 4.29Å; L253-L257 WeakPolarHBondContact O-CG 3.46Å; L253-L257 PolarHBondContact O-N 2.72Å
254Q91.8Very high87.9Confident100 Ų100101.8 Ų101.847%0.46752%0.515SS..Hα-helixtrans-57.8-44.5176.5-177.459.54900111.4D250 A256 L257 D258D250-Q254 PolarHBondContact O-N 3.29Å; Q254-A256 VanDerWaalsContact C-N 3.33Å; Q254-A256 PolarHBondContact O-N 3.26Å; Q254-L257 PolarHBondContact O-N 3.15Å; Q254-D258 PolarHBondContact NE2-OD2 3.11Å; Q254-D258 PolarHBondContact O-N 3.44Å
255K92.8Very high87.2Confident119 Ų11998.3 Ų98.352%0.51751%0.506SS..Hα-helixtrans-59.5-43.1176.1-168.5-159.6167.6-147.20111.8S251 L252 L253 D258 E259S251-K255 PolarHBondContact O-N 3.06Å; S251-K255 VanDerWaalsContact O-N 3.13Å; L252-K255 PolarHBondContact O-N 2.71Å; L253-K255 VanDerWaalsContact C-N 3.31Å; L253-K255 PolarHBondContact O-N 3.1Å; K255-D258 CarbonylContact O-C 3.59Å; K255-D258 PolarHBondContact O-N 2.87Å; K255-E259 IonicContact NZ-OE2 2.67Å; K255-E259 PolarHBondContact NZ-OE2 3.21Å; K255-E259 WeakPolarHBondContact O-CB 3.26Å; K255-E259 PolarHBondContact O-N 3Å
256A89.8Confident86.2Confident54 Ų5499 Ų9945%0.44651%0.512SS..Hα-helixtrans-65-37.4179.200000112.6L252 L253 Q254 E259 S260L252-A256 PolarHBondContact O-N 3.19Å; L253-A256 PolarHBondContact O-N 2.97Å; L253-A256 VanDerWaalsContact O-N 3.13Å; Q254-A256 VanDerWaalsContact C-N 3.33Å; Q254-A256 PolarHBondContact O-N 3.26Å; A256-E259 WeakPolarHBondContact O-CB 3.5Å; A256-E259 PolarHBondContact O-N 2.66Å; A256-S260 PolarHBondContact O-N 2.89Å
257L90.5Very high84.8Confident98 Ų9899.6 Ų99.651%0.51352%0.521SS..Hα-helixtrans-65.7-42.8174-66.4171.6000111.7L253 Q254 E259 R261L253-L257 HydrophobicContact CD1-CD1 4.44Å; L253-L257 HydrophobicContact CD1-CG 4.41Å; L253-L257 HydrophobicContact CG-CD1 4.29Å; L253-L257 WeakPolarHBondContact O-CG 3.46Å; L253-L257 PolarHBondContact O-N 2.72Å; Q254-L257 PolarHBondContact O-N 3.15Å; L257-E259 VanDerWaalsContact C-N 3.26Å; L257-E259 PolarHBondContact O-N 2.85Å; L257-R261 VanDerWaalsContact O-CB 3.28Å; L257-R261 WeakPolarHBondContact O-CB 3.5Å; L257-R261 PolarHBondContact O-N 3.25Å
258D89.4Confident83.3Confident66 Ų66101 Ų10135%0.35353%0.529SS..Hα-helixtrans-73.3-14.3174.6-71.1-43.3000113.4Q254 K255 R262Q254-D258 PolarHBondContact NE2-OD2 3.11Å; Q254-D258 PolarHBondContact O-N 3.44Å; K255-D258 CarbonylContact O-C 3.59Å; K255-D258 PolarHBondContact O-N 2.87Å; D258-R262 WeakPolarHBondContact O-CG 3.44Å; D258-R262 PolarHBondContact O-N 2.81Å; D258-R262 PolarHBondContact O-NE 3.12Å
259E89Confident81.2Confident78 Ų78106.9 Ų106.936%0.36455%0.546SS..Hα-helixtrans-76.3-58.1169.7-158.3109.6-102.100110.2K255 A256 L257 R261 R262 E263K255-E259 IonicContact NZ-OE2 2.67Å; K255-E259 PolarHBondContact NZ-OE2 3.21Å; K255-E259 WeakPolarHBondContact O-CB 3.26Å; K255-E259 PolarHBondContact O-N 3Å; A256-E259 WeakPolarHBondContact O-CB 3.5Å; A256-E259 PolarHBondContact O-N 2.66Å; L257-E259 VanDerWaalsContact C-N 3.26Å; L257-E259 PolarHBondContact O-N 2.85Å; E259-R261 VanDerWaalsContact C-N 3.25Å; E259-R261 PolarHBondContact O-N 3.33Å; E259-R262 VanDerWaalsContact CA-NH2 3.29Å; E259-R262 PolarHBondContact O-N 2.97Å; E259-R262 IonicContact OE1-CZ 2.78Å; E259-R262 IonicContact OE1-NH1 2.89Å; E259-R262 PolarHBondContact OE1-NH1 2.84Å; E259-R262 IonicContact OE1-NH2 2.72Å; E259-R262 PolarHBondContact OE1-NH2 3.2Å; E259-E263 PolarHBondContact O-N 3.42Å
260S89.1Confident79Confident74 Ų74111.1 Ų111.152%0.51756%0.563SS.*Hα-helixtrans-56.6-38.1176176.60000112.4A256 R262 E263 S264A256-S260 PolarHBondContact O-N 2.89Å; S260-R262 PolarHBondContact O-N 3.39Å; S260-E263 PolarHBondContact O-N 2.94Å; S260-S264 PolarHBondContact O-N 3.26Å; S260-S264 PolarHBondContact O-OG 3.33Å
261R89.6Confident76.7Confident154 Ų154115.1 Ų115.158%0.58158%0.578SS**Hα-helixtrans-64.5-38.7175.6-171.2177.9-175.8-171.22.6112.9L257 E259 S264 Q265L257-R261 VanDerWaalsContact O-CB 3.28Å; L257-R261 WeakPolarHBondContact O-CB 3.5Å; L257-R261 PolarHBondContact O-N 3.25Å; E259-R261 VanDerWaalsContact C-N 3.25Å; E259-R261 PolarHBondContact O-N 3.33Å; R261-S264 PolarHBondContact O-OG 2.99Å; R261-Q265 WeakPolarHBondContact O-CG 3.44Å; R261-Q265 PolarHBondContact O-N 3.03Å
262R83.1Confident74.9Confident128 Ų128116 Ų11648%0.48358%0.582SS.*Hα-helixtrans-69.1-42.1175.3-79.2177.1-69.8121.8-6.8111.4D258 E259 S260 S264 Q265 S266D258-R262 WeakPolarHBondContact O-CG 3.44Å; D258-R262 PolarHBondContact O-N 2.81Å; D258-R262 PolarHBondContact O-NE 3.12Å; E259-R262 VanDerWaalsContact CA-NH2 3.29Å; E259-R262 PolarHBondContact O-N 2.97Å; E259-R262 IonicContact OE1-CZ 2.78Å; E259-R262 IonicContact OE1-NH1 2.89Å; E259-R262 PolarHBondContact OE1-NH1 2.84Å; E259-R262 IonicContact OE1-NH2 2.72Å; E259-R262 PolarHBondContact OE1-NH2 3.2Å; S260-R262 PolarHBondContact O-N 3.39Å; R262-S264 PolarHBondContact O-N 3.19Å; R262-Q265 WeakPolarHBondContact O-CA 3.5Å; R262-Q265 WeakPolarHBondContact O-CB 3.33Å; R262-Q265 PolarHBondContact O-N 3.42Å; R262-S266 PolarHBondContact O-N 3.24Å; R262-S266 PolarHBondContact O-OG 3.17Å; R262-S266 VanDerWaalsContact O-OG 3.14Å
263E76.6Confident72.4Confident126 Ų126118.8 Ų118.859%0.58960%0.597SS**Hα-helixtrans-56-50.1177.8-163.4160.8-13200110.9E259 S260 Q265 S266 E267E259-E263 PolarHBondContact O-N 3.42Å; S260-E263 PolarHBondContact O-N 2.94Å; E263-Q265 PolarHBondContact O-N 2.85Å; E263-Q265 VanDerWaalsContact O-N 3.07Å; E263-S266 WeakPolarHBondContact CA-OG 3.4Å; E263-S266 PolarHBondContact O-N 2.67Å; E263-S266 VanDerWaalsContact O-N 3.14Å; E263-S266 PolarHBondContact O-OG 2.88Å; E263-E267 PolarHBondContact O-N 3.25Å
264S72.6Confident69.9Low66 Ų66118.1 Ų118.146%0.46261%0.606SS.*Hα-helixtrans-62.5-13.7174.573.10000115.5S260 R261 R262S260-S264 PolarHBondContact O-N 3.26Å; S260-S264 PolarHBondContact O-OG 3.33Å; R261-S264 PolarHBondContact O-OG 2.99Å; R262-S264 PolarHBondContact O-N 3.19Å
265Q67.6Low66.8Low117 Ų117122.7 Ų122.755%0.54763%0.625SS.*Hα-helixtrans-98.6-29.4176.4-72.2178.2-1100112.3R261 R262 E263R261-Q265 WeakPolarHBondContact O-CG 3.44Å; R261-Q265 PolarHBondContact O-N 3.03Å; R262-Q265 WeakPolarHBondContact O-CA 3.5Å; R262-Q265 WeakPolarHBondContact O-CB 3.33Å; R262-Q265 PolarHBondContact O-N 3.42Å; E263-Q265 PolarHBondContact O-N 2.85Å; E263-Q265 VanDerWaalsContact O-N 3.07Å
266S64.9Low64Low83 Ų83121.6 Ų121.658%0.5863%0.631SS**Hα-helixtrans-69.7-33.9172.634.30000113.3R262 E263 M268R262-S266 PolarHBondContact O-N 3.24Å; R262-S266 PolarHBondContact O-OG 3.17Å; R262-S266 VanDerWaalsContact O-OG 3.14Å; E263-S266 WeakPolarHBondContact CA-OG 3.4Å; E263-S266 PolarHBondContact O-N 2.67Å; E263-S266 VanDerWaalsContact O-N 3.14Å; E263-S266 PolarHBondContact O-OG 2.88Å; S266-M268 PolarHBondContact O-N 3.35Å
267E58.4Low61.3Low161 Ų161124 Ų12475%0.75264%0.644SS**THydrogen-bonded Turntrans-68.9-9.8177.8-67-172.213200114E263E263-E267 PolarHBondContact O-N 3.25Å
268M56.5Low58.5Low155 Ų155128.4 Ų128.476%0.76466%0.663SS**THydrogen-bonded Turntrans-95.75.9-176.5-66.8-97.37700114.2S266S266-M268 PolarHBondContact O-N 3.35Å
269H45.8Very low56.3Low164 Ų164130.9 Ų130.976%0.75968%0.682SS**  trans-137.831.1-163.1-143.4-62.3000117.8
270E44.2Very low53.6Low191 Ų191134 Ų13489%0.89371%0.707SS**  trans-115124.5157.9-79.8-90.6122.700108.3
271E43Very low51.2Low189 Ų189141.4 Ų141.488%0.88372%0.723SS**  trans-133.4151.3-178.3-104.3-83.1114.100111.2
272P54Low48.7Very low93 Ų93141.5 Ų141.560%0.60473%0.73SS**  trans-114.8163.8-15141.6-35000116.2
273L39.5Very low46.2Very low176 Ų176141.3 Ų141.392%0.92175%0.747SS**  trans-145.7135.9154.8-70.7178.7000109
274A39.6Very low44.5Very low88 Ų88144.5 Ų144.573%0.72776%0.755SS**  cis-163.5176-10.100000111.3
275F27.6Very low43.2Very low196 Ų196147.8 Ų147.886%0.8676%0.763SS**  trans92.981152.5-143.2-94.3000121.1
276C34.1Very low42.5Very low96 Ų96148.1 Ų148.165%0.64978%0.778SS**  65.8106125.1-157.70000121.1
277S31.8Very low41.8Very low104 Ų104147.7 Ų147.773%0.72778%0.78SS**  179.8125.7104.9-790000115.1
278Q32.6Very low41.4Very low192 Ų192148 Ų14890%0.89778%0.783SS**  trans65.3160.3158.9-64.8-164.316.500118.9
279P43.7Very low41.2Very low117 Ų117145 Ų14576%0.7677%0.77SS**  trans-113.5135-153.138-27.8000115.8
280T31.8Very low41.3Very low144 Ų144145.2 Ų145.288%0.88377%0.771SS**  trans-129133.3153.7370000109.3
281R38.7Very low41.8Very low230 Ų230143.2 Ų143.287%0.86877%0.766SS**  trans-102.1161.2163.9-83.8-169.4168.1-163.7-3.8108.9
282H36.3Very low42.3Very low155 Ų155139.1 Ų139.172%0.71875%0.753SS**  trans73.495.5-178.5-59.9-91.7000115.2
283C31.6Very low42Very low125 Ų125141.7 Ų141.785%0.84576%0.762SS**  trans-142.786141.5-166.80000108.3
284Y40.9Very low42.4Very low192 Ų192139.4 Ų139.475%0.75375%0.749SS**  trans-13959.4163.570.8-89.5000109.5
285E44.8Very low43Very low136 Ų136144.8 Ų144.864%0.63676%0.757SS**  trans-162.3109.9170.4-119.8170178.700110.9L289E285-L289 HydrophobicContact CB-CD1 4.03Å; E285-L289 HydrophobicContact CG-CD1 3.9Å
286S52.8Low43.2Very low123 Ų123138.7 Ų138.786%0.8675%0.75SS**SBendtrans-16872169.5-84.50000110.2
287A50.6Low43.2Very low75 Ų75140.1 Ų140.162%0.6276%0.76SS**SBendtrans-164.3-40.9167.600000111.3
288M49.4Very low43.3Very low166 Ų166140.3 Ų140.382%0.81876%0.762SS**SBendtrans-89.7-11.3-175.9-64.2-62.5-67.900114.5
289L52.1Low43.3Very low92 Ų92136 Ų13648%0.48275%0.753SS.*SBendtrans-94-15.8-176-91.9153.3000114.3E285 L291 V292E285-L289 HydrophobicContact CB-CD1 4.03Å; E285-L289 HydrophobicContact CG-CD1 3.9Å; L289-L291 PolarHBondContact O-N 2.9Å; L289-V292 HydrophobicContact CD2-CG1 4.26Å; L289-V292 PolarHBondContact O-N 2.98Å
290E49.2Very low42.7Very low169 Ų169137.7 Ų137.779%0.7975%0.751SS**THydrogen-bonded Turntrans-71.9-12.7-177.7-160.7174.8-175.700113.4
291L53.1Low42.9Very low150 Ų150137 Ų13779%0.78575%0.749SS**THydrogen-bonded Turntrans-100.1-1.9-178.1-69.5175.2000114.9L289L289-L291 PolarHBondContact O-N 2.9Å
292V53.4Low42.4Very low102 Ų102133.5 Ų133.562%0.61874%0.742SS**THydrogen-bonded Turntrans-93.7-22.2-178.784.60000113.4L289 I294L289-V292 HydrophobicContact CD2-CG1 4.26Å; L289-V292 PolarHBondContact O-N 2.98Å; V292-I294 VanDerWaalsContact C-N 3.25Å; V292-I294 PolarHBondContact O-N 3.35Å
293D48.1Very low43.2Very low148 Ų148131.3 Ų131.379%0.79174%0.742SS**THydrogen-bonded Turntrans-83.910.6-167.6-14126.8000114.6
294I48.9Very low43.8Very low127 Ų127130.4 Ų130.465%0.65174%0.735SS**THydrogen-bonded Turntrans-93.9-15.7176.8-67.4177.5000112.1V292V292-I294 VanDerWaalsContact C-N 3.25Å; V292-I294 PolarHBondContact O-N 3.35Å
295F50.8Low43.3Very low201 Ų201126.6 Ų126.688%0.88274%0.736SS**SBendtrans-136.658.6-175.8-68.4-71.5000113.5
296G32Very low42.6Very low69 Ų69125.5 Ų125.571%0.71174%0.743SS**  trans-138.815317400000113.4
297S34.2Very low41.8Very low125 Ų125126.1 Ų126.187%0.87474%0.737SS**  trans-103.6168.9177.6-470000110.7
298S33.8Very low40.9Very low109 Ų109127 Ų12776%0.76274%0.737SS**  cis-167.2177.724.4-157.90000113.8
299S33.1Very low40.2Very low101 Ų101129.7 Ų129.771%0.70674%0.738SS**  trans63.196.7151.159.10000122.9
300E31.3Very low39.3Very low153 Ų153131.9 Ų131.972%0.71576%0.755SS**  35.3128.7110.4-172.7158.7176.700121
301P34.7Very low38.6Very low130 Ų130127.7 Ų127.784%0.84475%0.749SS**  -131152.9977.914.7000117
302Q30Very low37.6Very low155 Ų155125.4 Ų125.472%0.72475%0.752SS**  trans-83.7-170.7167.5-64-164.8-11.600112.8
303P51.8Low36.7Very low109 Ų109128.9 Ų128.971%0.70876%0.761SS**  cis-125.1-162.7-1314.813.4000111.7
304P44.5Very low36.3Very low107 Ų107127 Ų12770%0.69576%0.757SS**  cis-135.9167.64.841.8-24.3000118.5
305S30.3Very low35.3Very low111 Ų111125.6 Ų125.678%0.77676%0.759SS**  trans59.8140152.653.60000120.2
306S31.3Very low34.2Very low113 Ų113121.5 Ų121.579%0.7975%0.754SS**  cis-156.9157.5-0.347.70000112.2
307D35.9Very low34.1Very low136 Ų136125.4 Ų125.473%0.72776%0.758SS**  trans-55.9150.9173.2-162.213.6000112.8
308P31Very low33.9Very low95 Ų95126.3 Ų126.362%0.61775%0.752SS**  -150.216794.232.9-11.7000117.8
309W34.3Very low33.7Very low222 Ų222126 Ų12684%0.84175%0.75SS**  trans96.674.6159.8-59.5101.9000119.7
310T34.4Very low34Very low137 Ų137126.2 Ų126.284%0.8475%0.751SS**  trans-94.6107.9141.550.30000111.4
311A33.6Very low34.5Very low82 Ų82126.5 Ų126.568%0.67876%0.758SS**  trans-167.4148.1159.800000114.2
312A31.8Very low34.6Very low101 Ų101125.6 Ų125.684%0.83575%0.751SS**  trans70130.5154.900000121.9
313Q35.4Very low35.2Very low176 Ų176129.8 Ų129.882%0.82276%0.761SS**  trans-83.6173155.8-71.4-76.2-4900108.9
314P39.6Very low34.4Very low107 Ų107132.1 Ų132.170%0.69577%0.768SS**  cis-152.5-177.126.544.7-23.7000119.7
315S27.9Very low33.8Very low99 Ų99132.6 Ų132.669%0.69277%0.773SS**  trans90.9160.4139.378.20000122.8
316C27.4Very low34.1Very low114 Ų114134.6 Ų134.677%0.7778%0.78SS**  trans57.395.5166.867.90000123.2
317N29.1Very low34.3Very low151 Ų151133.7 Ų133.781%0.80778%0.78SS**  53.6139112.1-128.613.2000123.4
318I30.2Very low34.2Very low145 Ų145133.4 Ų133.474%0.74478%0.783SS**  trans74.5110.4159.9-53.8164.3000118
319S30.7Very low34.5Very low103 Ų103137.1 Ų137.172%0.7279%0.792SS**  -176118.4108.5-164.10000114.6
320S38.3Very low34.4Very low104 Ų104131 Ų13173%0.72778%0.783SS**  trans43.4126.7131.4-33.30000122.9
321N41.4Very low34.3Very low160 Ų160128.9 Ų128.986%0.85677%0.774SS**  trans-77.9149.5163.3-74.3-33.2000112
322P38Very low34.3Very low110 Ų110131.2 Ų131.271%0.71478%0.78SS**SBendtrans-101.526.6-16239.9-38.8000117
323W42.9Very low34.8Very low243 Ų243132 Ų13292%0.9278%0.776SS**  trans-130.115.2-169.2-76.3113.4000117.1
324D34.2Very low34.6Very low159 Ų159129.3 Ų129.385%0.8577%0.772SS**  trans-11173.9-179.6-155.50.7000111.8
325S32.5Very low34.2Very low117 Ų117131 Ų13182%0.81877%0.773SS**  trans-161.580.6177.1-79.50000114.2
326V36.6Very low34.3Very low152 Ų152132.8 Ų132.892%0.92178%0.775SS**  trans-139.4117.6147.8-80.50000108.8
327A34Very low34.5Very low94 Ų94133.4 Ų133.478%0.77778%0.781SS**  trans-149.8179.1-170.900000112.1
328V35.6Very low34.9Very low130 Ų130131.3 Ų131.379%0.78878%0.776SS**  trans72.6119.9-178-177.60000112
329Q35.8Very low35.1Very low173 Ų173135.1 Ų135.181%0.80878%0.781SS**  cis-164.8-178.5-3.4-129.9-173.682.600107.4
330S32.8Very low35.2Very low95 Ų95136.3 Ų136.366%0.66478%0.783SS**  cis-156-173.9-264.80000107.5
331S32.4Very low35Very low92 Ų92135.5 Ų135.564%0.64378%0.783SS**  cis-156.7-167.23.1-158.20000110.4
332T32.6Very low34.8Very low131 Ų131133.9 Ų133.980%0.80478%0.781SS**  trans65.4146.7169.667.80000118.9
333P43Very low34.2Very low117 Ų117133.7 Ų133.776%0.7678%0.782SS**  trans-133.7-166.5-149.828.9-3.5000115.4
334V30.7Very low33.5Very low120 Ų120127.6 Ų127.673%0.72778%0.777SS**  trans119112.7145.5-178.80000117.8
335I31.3Very low33.2Very low142 Ų142124.9 Ų124.973%0.72877%0.77SS**  trans93.1115.1146.9-84.6168.4000123.3
336N30.2Very low32.9Very low137 Ų137124.7 Ų124.773%0.73377%0.769SS**  trans59.4111.7142.9-58.5-1.5000123.4
337S31.8Very low32.6Very low127 Ų127122.5 Ų122.589%0.88876%0.76SS**  trans-158.5121.1135-79.70000110.9
338P38.7Very low32.3Very low107 Ų107124.9 Ų124.970%0.69576%0.76SS**  trans-110.8127.3174.432.5-21000113.7
339W33.8Very low32.1Very low225 Ų225124.7 Ų124.785%0.85276%0.759SS**  trans44.4113147.6-50.5102.5000119.2
340V32.5Very low32Very low128 Ų128121 Ų12178%0.77676%0.758SS**  68128.677.31740000113.5
341A35.1Very low32.4Very low86 Ų86123.8 Ų123.871%0.71177%0.766SS**  trans-95.5156.1-175.800000113.8
342P35.8Very low32.5Very low126 Ų126125.1 Ų125.182%0.81877%0.772SS**  trans-90.6174.9160.536.8-32.2000111.9
343S26.4Very low32.3Very low107 Ų107131 Ų13175%0.74878%0.78SS**  trans-135.2160-175.9-66.80000113.3
344S28.3Very low31.9Very low114 Ų114129.5 Ų129.580%0.79778%0.778SS**  trans74.5149169.3-41.40000115.1
345S28Very low32.4Very low103 Ų103129 Ų12972%0.7278%0.777SS**  cis-149.7158.214.4-53.40000112.5
346S26.5Very low32.1Very low112 Ų112128.7 Ų128.778%0.78379%0.786SS**  trans52.6127.9153.659.70000119.5
347S29.5Very low32.1Very low107 Ų107127.6 Ų127.675%0.74878%0.784SS**  -174.2159.753.148.40000114.2
348N28.5Very low31.9Very low144 Ų144128.9 Ų128.977%0.7778%0.781SS**  trans61.3134.6151.5-87.2-0.9000124.8
349T30.7Very low31.5Very low126 Ų126128.3 Ų128.377%0.77378%0.779SS**  trans78.2121.5140.548.40000123.5
350A33.2Very low31.6Very low95 Ų95125.7 Ų125.779%0.78578%0.776SS**  trans83.3126136.800000121.1
351N42.1Very low32.3Very low153 Ų153125.4 Ų125.482%0.81878%0.777SS**PPolyproline II helixtrans-72.9141.9166.1-60.1-16.3000111.4
352P32.9Very low32.2Very low120 Ų120128.2 Ų128.278%0.77978%0.78SS**PPolyproline II helixtrans-86.3158147.334.6-30.3000111.1
353W30.2Very low32.2Very low254 Ų254126.5 Ų126.596%0.96277%0.769SS**PPolyproline II helixtrans-82158-179.9-71.939.6000112.1
354A33.9Very low32.6Very low87 Ų87133.5 Ų133.572%0.71978%0.779SS**  trans-87.9-168.9168.100000110.7
355P40.8Very low32.6Very low109 Ų109137.5 Ų137.571%0.70879%0.785SS**  -120.1174.6-57.334.2-21.7000111.5
356C25.4Very low32.8Very low136 Ų136137.3 Ų137.392%0.91979%0.79SS**  trans-111139.4162.4-73.90000110.7
357T29.1Very low33.1Very low113 Ų113136.4 Ų136.469%0.69379%0.789SS**  trans-130.2174.4-175.551.10000111.2
358N27.6Very low33.8Very low155 Ų155137.8 Ų137.883%0.82980%0.796SS**  trans84.9167.5163.8-61.4-8.4000118.5
359S30.8Very low33.9Very low94 Ų94135.4 Ų135.466%0.65780%0.796SS**  trans-162.1177.6-146.952.90000111
360H35.3Very low33.8Very low171 Ų171137.2 Ų137.279%0.79280%0.8SS**  trans67.4169.2169.7-80-72000115.9
361P47.8Very low33.5Very low122 Ų122138.2 Ų138.279%0.79280%0.802SS**  cis-125-178.76.733.6-13000116.8
362D34.1Very low32.9Very low144 Ų144136.2 Ų136.277%0.7780%0.799SS**  trans-95.3156.9173.1-173.637.1000110.8
363P35.3Very low33.9Very low91 Ų91135.6 Ų135.659%0.59180%0.795SS**  trans-131.5158.617838-21.2000117.1
364W33.6Very low33.7Very low254 Ų254131.5 Ų131.596%0.96279%0.792SS**  trans88.1109.8169.8-57.683.1000118.5
365E29.7Very low33.4Very low197 Ų197134.1 Ų134.192%0.92179%0.793SS**  trans-128.6141.2163.8177.9-172-119.800108.1
366A31.3Very low32.9Very low99 Ų99136.3 Ų136.382%0.81880%0.799SS**  trans-161.7144.5166.100000112.3
367A34.1Very low32.9Very low93 Ų93133.9 Ų133.977%0.76979%0.789SS**  trans-123.3167.2169.500000110.5
368P43.8Very low32.9Very low137 Ų137139.5 Ų139.589%0.8980%0.797SS**  -142-179.6114.837.8-24.1000113.5
369A30.4Very low32.8Very low93 Ų93138.3 Ų138.377%0.76979%0.791SS**  trans-132.3157.5-17300000113.2
370L27.5Very low32.9Very low165 Ų165138.5 Ų138.586%0.86479%0.793SS**  trans-173.2164.8133.8-132.772.8000114.7
371S28.4Very low33.2Very low116 Ų116136.7 Ų136.781%0.81180%0.796SS**  trans82.4159156.376.10000120.4
372S28.8Very low32.3Very low110 Ų110136.2 Ų136.277%0.76979%0.791SS**  trans-164.6-166.2-163.163.40000108.5
373P54.5Low32.1Very low108 Ų108137 Ų13770%0.70180%0.795SS**  cis-121.4-175.4-4038.9-25.8000111.4
374L25Very low31.6Very low168 Ų168136.4 Ų136.488%0.8881%0.805SS**  trans-155.2154.6145.8-142.681.3000112.9
375N28.1Very low31.3Very low142 Ų142132.3 Ų132.376%0.75980%0.797SS**  trans-83.2163.5176.2-67.3-32.4000112.4
376N30.9Very low31.4Very low154 Ų154131.7 Ų131.782%0.82479%0.791SS**  -168146.7106.5-88-21.8000112.1
377A24.3Very low31.2Very low85 Ų85133.7 Ų133.770%0.70279%0.788SS**  trans-108.3-144.5173.500000109.7
378W28.6Very low30.9Very low231 Ų231135.1 Ų135.188%0.87579%0.792SS**  trans75.4134.7-176.8-56.378.3000114.6
379D26.4Very low30.2Very low131 Ų131135.8 Ų135.870%0.70179%0.789SS**  cis-158.2171.5-22.8-143-25.2000110.9
380S32.4Very low30.1Very low98 Ų98136.9 Ų136.969%0.68579%0.789SS**  trans-101.7162.8166.5-59.70000111.7
381P41.1Very low30Very low132 Ų132132.2 Ų132.286%0.85778%0.781SS**  trans-131.6171135.536.9-27.4000112.8
382T30.8Very low30.1Very low113 Ų113134.5 Ų134.569%0.69378%0.782SS**  trans-118.3176.2-162.152.60000114.4
383D28.3Very low30.2Very low161 Ų161137.1 Ų137.186%0.86178%0.782SS**  trans78.2141.3154.5-54.2-51.4000120.5
384G25.8Very low29Very low78 Ų78138.3 Ų138.380%0.80478%0.782SS**  trans163.174.2-177.400000113.5
385E27.6Very low29.2Very low168 Ų168139.5 Ų139.579%0.78578%0.776SS**  trans-64144.7176.4-49.7172.411100112.9
386K30.3Very low29.1Very low183 Ų183140.7 Ų140.780%0.79678%0.775SS**  177.6121.9109-95146.1-166.2160.70115.9
387N27.2Very low28.9Very low141 Ų141141.1 Ų141.175%0.75478%0.777SS**  trans-3.2125.5140.9-177.223.8000118.3
388S29.2Very low29.1Very low123 Ų123142.5 Ų142.586%0.8677%0.772SS**  trans-155.5132.1137.5-81.60000110.9
389N28.8Very low29.2Very low152 Ų152141.8 Ų141.881%0.81378%0.776SS**  trans-111.4127179.3-179.913.8000109.3
390C28.7Very low29.2Very low116 Ų116141.3 Ų141.378%0.78477%0.773SS**  trans-147.783.8174.460.40000112.1
391G24.9Very low29.1Very low66 Ų66144.7 Ų144.768%0.6878%0.782SS**  trans-74.9131.2162.500000110.9
392I31.1Very low28.6Very low165 Ų165144 Ų14485%0.84677%0.771SS**  trans-119.7117.9160.9-66.1-66.7000107.6
393H29.9Very low28.5Very low165 Ų165146.2 Ų146.276%0.76477%0.774SS**  trans-95.9134.2-178.3171.4-81.9000109.2
394L29.2Very low28.7Very low132 Ų132143.3 Ų143.369%0.69177%0.766SS**  trans-155.1128157.5-83.3-163.1000113.6
395Y29.8Very low29Very low193 Ų193147.4 Ų147.476%0.75776%0.764SS**  trans51.9103.7153.8-55.2-53.5000122.7
396F25.6Very low29.2Very low167 Ų167146.9 Ų146.973%0.73277%0.766SS**  -2.6142.7127.1-94.1-99.8000118.4N398F396-N398 WeakPolarHBondContact CE1-OD1 3.44Å
397N27.8Very low29.2Very low164 Ų164147.6 Ų147.688%0.87777%0.769SS**  -145.8139.2117.1-133.9-12.5000111.3
398N27.8Very low30.2Very low113 Ų113146.6 Ų146.660%0.60477%0.771SS**  trans-86.1150.2-177.7-90.2-15.1000111.7F396F396-N398 WeakPolarHBondContact CE1-OD1 3.44Å
399F29.7Very low30.1Very low217 Ų217148.9 Ų148.995%0.95277%0.768SS**  trans-131129.9142.5-99.2-77.1000111.3
400N27Very low30.3Very low121 Ų121149.1 Ų149.165%0.64777%0.768SS**  trans-82.2135.9-166.117512.5000112.4N402N400-N402 PolarHBondContact OD1-N 3.23Å; N400-N402 VanDerWaalsContact OD1-N 3.12Å
401I31Very low30.3Very low168 Ų168149.5 Ų149.586%0.86276%0.763SS**  trans-135.899.5152.7-56.9-176.6000109.7
402N29.2Very low30.7Very low117 Ų117152.1 Ų152.163%0.62677%0.77SS**  trans-94.2149.4158.5-102.150.5000106.8N400N400-N402 PolarHBondContact OD1-N 3.23Å; N400-N402 VanDerWaalsContact OD1-N 3.12Å
403E29.8Very low30.9Very low161 Ų161151.6 Ų151.675%0.75277%0.769SS**  cis-139-166.3-0-53.1-165.8138.700107.2
404S31.4Very low31.2Very low100 Ų100150 Ų15070%0.69978%0.776SS**  cis-161.4142.917.634.40000113.9
405E32.4Very low31.6Very low163 Ų163150.4 Ų150.476%0.76278%0.779SS**  61.7108.1128.4-63-68.1100.700122.2
406L31.5Very low32.3Very low158 Ų158146.3 Ų146.383%0.82778%0.776SS**  174.9121.5107.8-96.7158.8000112.6
407F31.2Very low32.7Very low197 Ų197146.9 Ų146.986%0.86478%0.779SS**  trans-121168.6162.8-89.6-80.3000109.4
408P48.3Very low33.2Very low121 Ų121148.1 Ų148.179%0.78678%0.776SS**  -140.3147.1110.735.9-23.3000116.5
409E27.5Very low34.2Very low171 Ų171148.1 Ų148.180%0.79978%0.782SS**  trans-10.2145.2153.3-75.6171.2120.900120.8
410L32.6Very low34.5Very low156 Ų156144.8 Ų144.882%0.81777%0.774SS**  -162.7159.494.8-125.797.7000115.2
411D29Very low35.5Very low125 Ų125144.7 Ų144.767%0.66878%0.78SS**  trans-36.7150.3-177.5-61.2-56.9000121.2
412S33.8Very low36.3Very low120 Ų120142.1 Ų142.184%0.83978%0.775SS**  -177.2148.2108.1-79.70000114.6
413N33.6Very low37.5Very low155 Ų155141.6 Ų141.683%0.82978%0.778SS**  trans-97.5147.8-179.8-73-84.9000113.4
414S36.4Very low37.6Very low130 Ų130143.2 Ų143.291%0.90978%0.783SS**  trans-176.1148.5131.5280000112.9
415D38.3Very low37.6Very low141 Ų141146.1 Ų146.175%0.75478%0.784SS**  trans-106.8145-173.6-176.254.5000111.7
416P44.8Very low37.5Very low107 Ų107147 Ų14770%0.69579%0.789SS**  trans-111.5104.7-166.936.8-25.4000115
417F32.9Very low37.5Very low180 Ų180147 Ų14779%0.78979%0.786SS**  trans-148.7135.6172.2-100.5-75.8000116.6
418K38.9Very low37.5Very low190 Ų190144.3 Ų144.383%0.82678%0.781SS**  trans71.8157.7161.8-67.5-178.7173.6175.80119
419P48.2Very low36.7Very low112 Ų112142.1 Ų142.173%0.72778%0.781SS**  cis-140.4178.6-45.440.6-23.7000114.3
420D37.3Very low36.9Very low147 Ų147144.6 Ų144.679%0.78678%0.783SS**  trans-74.1-169.3173.9-38.8-96.1000113.3
421P47.4Very low36.9Very low119 Ų119145 Ų14577%0.77378%0.778SS**  cis-139.2-1274.530.7-1.1000115.9
422P47.5Very low37.1Very low115 Ų115144.4 Ų144.475%0.74778%0.784SS**  -123.2-137-96.443-24.1000117.2
423P55.2Low37.1Very low106 Ų106143.5 Ų143.569%0.68878%0.783SS**  -130-178.5-122.842.3-21.1000117.3
424K30.9Very low37.2Very low195 Ų195141.4 Ų141.485%0.84878%0.781SS**  trans161.5162.7157.6-94.5154.1-169.9175.50111.3
425H31.8Very low37.7Very low160 Ų160141 Ų14174%0.74178%0.775SS**  cis-173.7139.1-28-139.8-16.4000110.2
426Q31.1Very low37.7Very low182 Ų182143.3 Ų143.385%0.8578%0.781SS**  trans163.7137.9144.5-90.6156.2101.400109.8
427M30.4Very low37.5Very low157 Ų157145.2 Ų145.277%0.77378%0.783SS**  cis89.3126.729.6-168.5172.7-176.800111.9
428N31.9Very low38.1Very low141 Ų141145.4 Ų145.475%0.75478%0.783SS**  cis-120.9163.79.7-75.5-69000111.2
429G31.8Very low38.5Very low76 Ų76142.2 Ų142.278%0.78478%0.775SS**  88.8146.967.500000111.8
430R31.8Very low38.6Very low222 Ų222143.1 Ų143.184%0.83877%0.773SS**  cis-169.11547.9174.4-177.9-176.4-163.45.7110.2
431K32.2Very low39.4Very low166 Ų166141 Ų14172%0.72277%0.77SS**  trans82.3111.5161.2-92.1171.1178.6-170.40121.7
432S34Very low39.7Very low112 Ų112146.8 Ų146.878%0.78378%0.776SS**  53.710812963.60000123.1
433A32.4Very low39.5Very low101 Ų101148.3 Ų148.384%0.83578%0.778SS**  -166.4168.612200000110.9
434S36.1Very low39.4Very low110 Ų110147.8 Ų147.877%0.76978%0.782SS**PPolyproline II helixtrans-64.7146.8179.7-169.40000112.9
435P46.2Very low40.1Very low121 Ų121143.9 Ų143.979%0.78678%0.777SS**PPolyproline II helixtrans-74.2130.2167.231.2-33000110.5
436E40Very low40.6Very low190 Ų190142.3 Ų142.389%0.88878%0.78SS**PPolyproline II helixtrans-93.7123168.2-169.6162.1-150.100108.4
437M40.5Very low41.4Very low148 Ų148142.3 Ų142.373%0.72979%0.785SS**PPolyproline II helixtrans-72.4159.1169.3-91.5160.74900109.8
438F45.3Very low42.2Very low184 Ų184140.5 Ų140.581%0.80779%0.788SS**  trans82.443.8177.4-42.5-68.8000117.7
439D46.1Very low42.9Very low122 Ų122138 Ų13865%0.65279%0.787SS**  trans-95.2121.1142.9-175.312.4000109.7S441D439-S441 WeakPolarHBondContact OD1-CB 3.49Å; D439-S441 PolarHBondContact OD1-N 2.77Å; D439-S441 PolarHBondContact OD1-OG 3.28Å
440L51.5Low43.5Very low131 Ų131139.7 Ų139.769%0.68679%0.785SS**  trans-118.415.4178.1-70.2175.3000112.6R442 L443L440-R442 PolarHBondContact O-N 3.09Å; L440-L443 PolarHBondContact O-N 3.41Å
441S54.3Low44Very low102 Ų102135 Ų13571%0.71378%0.783SS**THydrogen-bonded Turntrans-69.324.6-172.3-52.40000115.6D439D439-S441 WeakPolarHBondContact OD1-CB 3.49Å; D439-S441 PolarHBondContact OD1-N 2.77Å; D439-S441 PolarHBondContact OD1-OG 3.28Å
442R53.5Low44.5Very low242 Ų242133.5 Ų133.591%0.91379%0.787SS**THydrogen-bonded Turntrans-137.513-178.5-73-163.8167.1-129-6.4115.8L440L440-R442 PolarHBondContact O-N 3.09Å
443L42.7Very low45.1Very low147 Ų147138.7 Ų138.777%0.7779%0.79SS**SBendtrans-113.9112176.3-66.7178.9000113.2L440L440-L443 PolarHBondContact O-N 3.41Å
444A52.6Low45.9Very low95 Ų95140.5 Ų140.579%0.78579%0.79SS**  trans67.7141.2168.200000119.2
445P47Very low46.5Very low113 Ų113140 Ų14073%0.73479%0.785SS**  trans-79.1161.3166.734.5-34.9000111.9
446P40.7Very low47Very low126 Ų126144.1 Ų144.182%0.81879%0.785SS**  trans-72.7140.3-171.428.5-35.8000114.4S448P446-S448 PolarHBondContact O-N 3.08Å
447L48.6Very low48Very low182 Ų182138.6 Ų138.695%0.95376%0.764SS**  trans-79.7102.1174-69.9171.3000111.1
448S46.5Very low48.6Very low119 Ų119135 Ų13583%0.83275%0.753SS**  trans-147.755.2173.4-172.20000113.9P446P446-S448 PolarHBondContact O-N 3.08Å
449A46.9Very low49.2Very low89 Ų89131.9 Ų131.974%0.73674%0.74SS**SBendtrans-159.1145.9160.600000110.5
450P45.8Very low50Low112 Ų112129.5 Ų129.573%0.72774%0.738SS**  trans-71.2144.7165.931.3-33.5000110.1V452P450-V452 PolarHBondContact O-N 3.37Å
451P40.8Very low50.4Low124 Ų124131.5 Ų131.581%0.80574%0.741SS**  trans-67.5118.1179.326.8-33.7000111R453P451-R453 PolarHBondContact O-N 3.21Å; P451-R453 VanDerWaalsContact O-N 3.17Å
452V43.3Very low51Low134 Ų134131 Ų13181%0.81273%0.73SS**  trans-64.7114.7172.9178.90000108.6P450 V454P450-V452 PolarHBondContact O-N 3.37Å; V452-V454 PolarHBondContact O-N 3.18Å
453R46.1Very low51.8Low221 Ų221120.8 Ų120.883%0.83470%0.7SS**  trans-69.6118.1172.6-62.4-177.2-174.5-175.51.4108.5P451 C455P451-R453 PolarHBondContact O-N 3.21Å; P451-R453 VanDerWaalsContact O-N 3.17Å; R453-C455 PolarHBondContact O-N 3.2Å
454V48.8Very low52.9Low138 Ų138119.7 Ų119.784%0.83670%0.702SS**  trans-74.876.2169.8-171.60000108.7V452 R456V452-V454 PolarHBondContact O-N 3.18Å; V454-R456 PolarHBondContact O-N 3.17Å; V454-R456 VanDerWaalsContact O-N 3.13Å
455C49.1Very low53.5Low100 Ų100120.8 Ų120.868%0.67670%0.699SS**  trans-64.9107.8170.3-68.70000108.5R453 T457R453-C455 PolarHBondContact O-N 3.2Å; C455-T457 PolarHBondContact O-N 3.34Å
456R58Low54.2Low208 Ų208116.4 Ų116.479%0.78567%0.673SS**  trans-59.1124.6168.6-69.7-172.8177.3-167.2-0.5108.4V454V454-R456 PolarHBondContact O-N 3.17Å; V454-R456 VanDerWaalsContact O-N 3.13Å
457T59.6Low55.3Low73 Ų73111.7 Ų111.745%0.44865%0.646SS.*  trans-68.2150.6171550000109.6C455 E459 A460C455-T457 PolarHBondContact O-N 3.34Å; T457-E459 PolarHBondContact O-N 3.23Å; T457-A460 WeakPolarHBondContact O-CB 3.47Å; T457-A460 PolarHBondContact O-N 2.81Å
458P53.3Low56.1Low74 Ų74108.2 Ų108.248%0.48164%0.636SS.*THydrogen-bonded Turntrans-63.1-23.6177.724.7-33.4000112.9A460 F461 L462 L472P458-A460 PolarHBondContact O-N 3.32Å; P458-F461 WeakPolarHBondContact O-CA 3.34Å; P458-F461 WeakPolarHBondContact O-CB 3.49Å; P458-F461 PolarHBondContact O-N 3.25Å; P458-L462 PolarHBondContact O-N 3.5Å; P458-L462 VanDerWaalsContact O-N 3.07Å; P458-L472 HydrophobicContact CB-CD1 4.39Å; P458-L472 HydrophobicContact CG-CD1 3.98Å
459E58.8Low56.9Low118 Ų118109.6 Ų109.655%0.55163%0.633SS**Hα-helixtrans-56.9-37.5170.5-59.8172.6111.900112.3T457 F461 L462 G463 A467T457-E459 PolarHBondContact O-N 3.23Å; E459-F461 PolarHBondContact O-N 3.12Å; E459-F461 VanDerWaalsContact O-N 3.1Å; E459-L462 PolarHBondContact O-N 3.36Å; E459-G463 WeakPolarHBondContact O-CA 3.38Å; E459-G463 PolarHBondContact O-N 2.85Å; E459-A467 HydrophobicContact CG-CB 4.06Å
460A62.9Low57.7Low72 Ų72108.6 Ų108.660%0.59562%0.618SS**Hα-helixtrans-72.12.6175.700000113.7T457 P458T457-A460 WeakPolarHBondContact O-CB 3.47Å; T457-A460 PolarHBondContact O-N 2.81Å; P458-A460 PolarHBondContact O-N 3.32Å
461F58.7Low58.4Low173 Ų173108.9 Ų108.976%0.75961%0.614SS**Hα-helixtrans-118.4-26.4176.2-143.1-84000112.9P458 E459P458-F461 WeakPolarHBondContact O-CA 3.34Å; P458-F461 WeakPolarHBondContact O-CB 3.49Å; P458-F461 PolarHBondContact O-N 3.25Å; E459-F461 PolarHBondContact O-N 3.12Å; E459-F461 VanDerWaalsContact O-N 3.1Å
462L67.7Low59.4Low92 Ų92106.3 Ų106.348%0.48259%0.593SS.*Hα-helixtrans-105.1-14.1179.3-62.6177.7000114P458 E459 G466 V470P458-L462 PolarHBondContact O-N 3.5Å; P458-L462 VanDerWaalsContact O-N 3.07Å; E459-L462 PolarHBondContact O-N 3.36Å; L462-G466 WeakPolarHBondContact O-CA 3.35Å; L462-V470 HydrophobicContact CD1-CG2 4.48Å
463G69.6Low60Low27 Ų27108 Ų10828%0.27859%0.592SS.*Hα-helixtrans71.3170.9-175.600000113.8E459 T465 G466 A467E459-G463 WeakPolarHBondContact O-CA 3.38Å; E459-G463 PolarHBondContact O-N 2.85Å; G463-T465 VanDerWaalsContact C-N 3.3Å; G463-T465 PolarHBondContact O-N 3.35Å; G463-G466 PolarHBondContact O-N 3.13Å; G463-A467 PolarHBondContact O-N 3.03Å
464P67.1Low60.7Low124 Ų124102.9 Ų102.981%0.80559%0.585SS**Hα-helixtrans-58.4-39.7-173.9-25.234.8000113.4
465T63.6Low60.5Low118 Ų118102.4 Ų102.472%0.72458%0.577SS**Hα-helixtrans-73.8-34.7-179.3-32.50000112.5G463G463-T465 VanDerWaalsContact C-N 3.3Å; G463-T465 PolarHBondContact O-N 3.35Å
466G62.6Low60.5Low20 Ų20103.9 Ų103.921%0.20658%0.577CS.*Hα-helixtrans-76.5-33.7179.700000113.2L462 G463 S468 L469L462-G466 WeakPolarHBondContact O-CA 3.35Å; G463-G466 PolarHBondContact O-N 3.13Å; G466-S468 VanDerWaalsContact C-N 3.29Å; G466-S468 PolarHBondContact O-N 3.21Å; G466-L469 PolarHBondContact O-N 3.06Å
467A64Low59.9Low28 Ų2899.1 Ų99.123%0.23157%0.573CS.*Hα-helixtrans-59.3-37.8177.100000112.7E459 G463 L469E459-A467 HydrophobicContact CG-CB 4.06Å; G463-A467 PolarHBondContact O-N 3.03Å; A467-L469 PolarHBondContact O-N 3.45Å
468S65.1Low59.2Low108 Ų108101.6 Ų101.676%0.75559%0.59SS**THydrogen-bonded Turntrans-70.9-12.1-179.9-168.90000114.6G466G466-S468 VanDerWaalsContact C-N 3.29Å; G466-S468 PolarHBondContact O-N 3.21Å
469L62.8Low58.7Low148 Ų148107.5 Ų107.578%0.77561%0.608SS**THydrogen-bonded Turntrans-98-3.8-175.4-65.4173.7000113.6G466 A467G466-L469 PolarHBondContact O-N 3.06Å; A467-L469 PolarHBondContact O-N 3.45Å
470V63.5Low57.9Low68 Ų68107.5 Ų107.541%0.41262%0.618SS.*  trans-129.9109.2-175.5-167.60000110.3L462 L472L462-V470 HydrophobicContact CD1-CG2 4.48Å; V470-L472 VanDerWaalsContact C-N 3.33Å; V470-L472 HydrophobicContact CB-CD2 4.46Å; V470-L472 HydrophobicContact CB-CG 4.34Å; V470-L472 HydrophobicContact CG1-CD2 3.6Å; V470-L472 HydrophobicContact CG1-CG 3.95Å; V470-L472 PolarHBondContact O-N 2.99Å
471N61.3Low56.8Low119 Ų119109.8 Ų109.864%0.63663%0.627SS**  trans-81.976-176.4-164.7-7.7000112.2E473 T474N471-E473 VanDerWaalsContact C-N 3.3Å; N471-E473 PolarHBondContact O-N 3.2Å; N471-T474 PolarHBondContact O-N 2.88Å; N471-T474 PolarHBondContact O-OG1 3.39Å
472L61.5Low55.9Low70 Ų70108.5 Ų108.537%0.36663%0.634SS.*G310 helixtrans-66.9-16.1-166.8-70.1172.4000115.8P458 V470 T474 L475P458-L472 HydrophobicContact CB-CD1 4.39Å; P458-L472 HydrophobicContact CG-CD1 3.98Å; V470-L472 VanDerWaalsContact C-N 3.33Å; V470-L472 HydrophobicContact CB-CD2 4.46Å; V470-L472 HydrophobicContact CB-CG 4.34Å; V470-L472 HydrophobicContact CG1-CD2 3.6Å; V470-L472 HydrophobicContact CG1-CG 3.95Å; V470-L472 PolarHBondContact O-N 2.99Å; L472-T474 PolarHBondContact O-N 3.25Å; L472-L475 HydrophobicContact CD2-CD1 4.19Å; L472-L475 PolarHBondContact O-N 3.09Å; L472-L475 VanDerWaalsContact O-N 3.17Å
473E56.2Low54.5Low170 Ų170113.9 Ų113.979%0.79465%0.653SS**G310 helixtrans-59.9-28.2174.9-71.9-157131.200112.3N471 L475N471-E473 VanDerWaalsContact C-N 3.3Å; N471-E473 PolarHBondContact O-N 3.2Å; E473-L475 PolarHBondContact O-N 3.1Å
474T59.9Low53.1Low112 Ų112118.6 Ų118.669%0.68768%0.677SS**G310 helixtrans-69.3-9.9179.759.90000114.6N471 L472N471-T474 PolarHBondContact O-N 2.88Å; N471-T474 PolarHBondContact O-OG1 3.39Å; L472-T474 PolarHBondContact O-N 3.25Å
475L46.2Very low52.1Low129 Ų129120.3 Ų120.368%0.67568%0.679SS**G310 helixtrans-107.94.5-175.3-62.7178.8000114.4L472 E473L472-L475 HydrophobicContact CD2-CD1 4.19Å; L472-L475 PolarHBondContact O-N 3.09Å; L472-L475 VanDerWaalsContact O-N 3.17Å; E473-L475 PolarHBondContact O-N 3.1Å
476I48.8Very low50.9Low131 Ų131121.7 Ų121.767%0.67268%0.681SS**  trans-115.6104.8-177.6-54.5178.8000110.4
477P45.2Very low49.8Very low108 Ų108127.1 Ų127.170%0.70171%0.706SS**PPolyproline II helixtrans-62.7132.9172.3-22.233.6000111.3K479P477-K479 PolarHBondContact O-N 3.5Å
478P45.5Very low49Very low124 Ų124131 Ų13181%0.80573%0.729SS**PPolyproline II helixtrans-66.5130.7-179.426.2-33.9000111.2
479K42.4Very low47.6Very low199 Ų199135 Ų13587%0.86573%0.732SS**PPolyproline II helixtrans-75.9136.3175.3-69.5177.1-179.7171.80110.4P477P477-K479 PolarHBondContact O-N 3.5Å
480P41.1Very low46.7Very low117 Ų117135.6 Ų135.676%0.7674%0.736SS**PPolyproline II helixtrans-67.6152.317229.4-34.7000111.3
481P40.9Very low45.6Very low121 Ų121138.2 Ų138.279%0.78676%0.757SS**PPolyproline II helixtrans-70.6147.2-172.827.6-35.2000113.5
482T38.3Very low44.3Very low145 Ų145136.6 Ų136.689%0.8977%0.768SS**PPolyproline II helixtrans-65127.4176.8480000112
483K38.3Very low43.1Very low205 Ų205141.6 Ų141.689%0.89179%0.794SS**PPolyproline II helixtrans-95.4134.4167.9-69.9-174.7177.2-178.70110.6
484T40.4Very low41.9Very low127 Ų127139.6 Ų139.678%0.77980%0.799SS**PPolyproline II helixtrans-71.9143.7177.945.20000112.2N486T484-N486 PolarHBondContact O-N 3.23Å
485L46.8Very low40.9Very low160 Ų160138.9 Ų138.984%0.83881%0.805SS**  trans-69.3115.1171.3-83.1155.7000110.9
486N38Very low40.6Very low146 Ų146138.7 Ų138.778%0.78181%0.811SS**  trans-123.9124.8161.9-83.5-10.2000108.3T484T484-N486 PolarHBondContact O-N 3.23Å
487N40.8Very low39.8Very low135 Ų135138 Ų13872%0.72282%0.818SS**  trans-83.1131.5-175.1-69.6-33.8000111.6F489N487-F489 PolarHBondContact O-N 3.18Å
488P45.4Very low40Very low109 Ų109138.6 Ų138.671%0.70882%0.822SS**SBendtrans-87.2-1.5-171.934.4-36.9000115.3
489F37.5Very low39.5Very low191 Ų191141 Ų14184%0.83883%0.828SS**  trans-98.615.2-166-68.9-68.5000116.2N487N487-F489 PolarHBondContact O-N 3.18Å
490L43.3Very low39.4Very low161 Ų161137.6 Ų137.684%0.84382%0.82SS**  trans-108.465.6178.8-69.8179.1000112.9
491S39.3Very low39.6Very low124 Ų124137.7 Ų137.787%0.86782%0.82SS**  trans-168.5139.2159.9-84.50000112.5
492G34.4Very low39.4Very low84 Ų84140.6 Ų140.687%0.86682%0.821SS**  trans96.693.4159.900000117.1
493L36.4Very low39.4Very low175 Ų175141.4 Ų141.492%0.91681%0.814SS**  trans-95130.2160.1-73.4170.5000110
494S31.8Very low39.5Very low128 Ų128137.3 Ų137.390%0.89581%0.81SS**  trans-163.4143.9156.9-820000109.9
495A38.1Very low39.4Very low98 Ų98137.6 Ų137.681%0.8181%0.806SS**PPolyproline II helixtrans-93.6150.2-169.300000113.4
496P39.6Very low39.6Very low124 Ų124138.2 Ų138.281%0.80581%0.805SS**PPolyproline II helixtrans-91.4143.717135.1-32.2000112.6
497S33.3Very low40.1Very low116 Ų116137 Ų13781%0.81181%0.806SS**PPolyproline II helixtrans-95154.7162-69.30000110.3
498P48.5Very low40.6Very low122 Ų122142.1 Ų142.179%0.79281%0.814SS**PPolyproline II helixtrans-84.8140.5-166.432.7-35.6000114
499N35.4Very low41.4Very low173 Ų173143.5 Ų143.593%0.92582%0.815SS**  trans-161.2117153-117-9.9000109.6
500N39.3Very low42.9Very low129 Ų129138.3 Ų138.369%0.6980%0.799SS**  trans-145.1123.4176.4-171.8-4.3000109.3F502N500-F502 VanDerWaalsContact C-N 3.29Å; N500-F502 PolarHBondContact O-N 3.17Å
501P45.3Very low43.2Very low118 Ų118137.6 Ų137.677%0.76680%0.795SS**THydrogen-bonded Turntrans-86.222.9-154.8-7.527.4000115.8
502F36.9Very low43.9Very low183 Ų183138.6 Ų138.680%0.80379%0.791SS**THydrogen-bonded Turntrans-11615.4-167.3-69.4-70.6000115.7N500N500-F502 VanDerWaalsContact C-N 3.29Å; N500-F502 PolarHBondContact O-N 3.17Å
503H38.9Very low45.2Very low162 Ų162140.5 Ų140.575%0.7578%0.778SS**  trans-83.5113.4162.9-108.978.9000110.2D505H503-D505 IonicContact CD2-OD1 3.58Å
504C40.9Very low46.1Very low119 Ų119139 Ų13980%0.80477%0.768SS**  trans-113.394.1164.4-173.80000107.1Q506C504-Q506 PolarHBondContact O-N 3.28Å
505D38.6Very low47.4Very low132 Ų132143.2 Ų143.271%0.70676%0.764SS**  trans-68.4110.9-176.7-77.6-60.5000111.6H503H503-D505 IonicContact CD2-OD1 3.58Å
506Q50Low48.3Very low174 Ų174144.1 Ų144.181%0.81376%0.762SS**PPolyproline II helixtrans-83.2125.1159.1-71.5-168.6-5.100109.2C504 R508C504-Q506 PolarHBondContact O-N 3.28Å; Q506-R508 PolarHBondContact O-N 2.9Å
507P49.3Very low48.8Very low121 Ų121147.6 Ų147.679%0.78679%0.789SS**PPolyproline II helixtrans-67.8116.9-178.426.8-33.7000110.7L509P507-L509 PolarHBondContact O-N 2.99Å
508R51.5Low49.6Very low241 Ų241149.2 Ų149.291%0.90979%0.788SS**PPolyproline II helixtrans-64.5120.4172.2-77-177.8170.2176.7-2.8110.1Q506Q506-R508 PolarHBondContact O-N 2.9Å
509L60.7Low49.7Very low139 Ų139150.6 Ų150.673%0.72879%0.788SS**PPolyproline II helixtrans-59.1142.5168.8-63.6174000110.1P507P507-L509 PolarHBondContact O-N 2.99Å
510T69.5Low50.5Low82 Ų82149.4 Ų149.450%0.50378%0.78SS.*PPolyproline II helixtrans-91.7155.2-173.362.20000111.8N512 Q513T510-N512 PolarHBondContact O-N 3.17Å; T510-Q513 WeakPolarHBondContact O-CB 3.42Å; T510-Q513 PolarHBondContact O-N 3.19Å; T510-Q513 PolarHBondContact OG1-OE1 3.44Å
511L50.2Low51.1Low145 Ų145150.6 Ų150.676%0.75979%0.785SS**G310 helixtrans-53.6-29.4-173.2-162.874.7000114.1Q513 M514L511-Q513 PolarHBondContact O-N 3.04Å; L511-M514 HydrophobicContact CD1-CE 4.28Å; L511-M514 PolarHBondContact O-N 3.27Å
512N54.3Low51.5Low145 Ų145152.6 Ų152.678%0.77579%0.786SS**G310 helixtrans-70-13.6178.9-66.3-23.2000113.9T510T510-N512 PolarHBondContact O-N 3.17Å
513Q61.6Low52.4Low125 Ų125150.6 Ų150.658%0.58479%0.785SS**G310 helixtrans-93.92.3-178.9-62.1171-67.300113.3T510 L511T510-Q513 WeakPolarHBondContact O-CB 3.42Å; T510-Q513 PolarHBondContact O-N 3.19Å; T510-Q513 PolarHBondContact OG1-OE1 3.44Å; L511-Q513 PolarHBondContact O-N 3.04Å
514M54.1Low53.4Low144 Ų144149.8 Ų149.871%0.70979%0.788SS**  trans-114.318.6-179.2-59.4-162.9-56.200114.2L511L511-M514 HydrophobicContact CD1-CE 4.28Å; L511-M514 PolarHBondContact O-N 3.27Å
515R59.3Low54.4Low216 Ų216152.2 Ų152.282%0.81579%0.787SS**  trans-87.3128.6172.1-172.4173.1-66.9-169.80.8109.7
516P58.1Low55.7Low117 Ų117153.8 Ų153.876%0.7679%0.793SS**  trans-67.8156.5175.829.3-35.5000111.8
517S49.7Very low56.2Low197 Ų197152 Ų152100%1.37879%0.791SS**  trans-101.80164.1-570000109.6

Retrieved 517 of 517 residues in 395.5 ms (Link to these results)

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