A0A077Z449_TRITR Loading...

Noc2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z449, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 216 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
1M43.2Very low52.6Low198 Ų19877.2 Ų77.298%0.97540%0.401SS*.  0-60.80-151.1177.7-7800111.9K3 A4 T5M1-K3 PolarHBondContact O-N 3.2Å; M1-A4 CarbonylContact O-C 3.29Å; M1-A4 WeakPolarHBondContact O-CB 3.43Å; M1-A4 PolarHBondContact O-N 3.29Å; M1-A4 VanDerWaalsContact O-N 3.14Å; M1-T5 PolarHBondContact O-N 2.68Å; M1-T5 PolarHBondContact O-OG1 3.23Å
2L49.3Very low52.6Low21 Ų2175.3 Ų75.311%0.1139%0.391CS..Hα-helixtrans-62.6-38.5-178-83.2167.7000115.8T5 L6 F31 L41 H45L2-T5 WeakPolarHBondContact CA-OG1 3.39Å; L2-T5 PolarHBondContact O-N 3.32Å; L2-T5 PolarHBondContact O-OG1 3.13Å; L2-L6 WeakPolarHBondContact O-CB 3.35Å; L2-L6 VanDerWaalsContact O-CG 3.28Å; L2-L6 WeakPolarHBondContact O-CG 3.33Å; L2-L6 PolarHBondContact O-N 3Å; L2-F31 HydrophobicContact CD2-CD2 4.41Å; L2-F31 HydrophobicContact CD2-CE2 3.35Å; L2-F31 HydrophobicContact CD2-CZ 3.62Å; L2-L41 HydrophobicContact CD1-CD2 4.47Å; L2-L41 HydrophobicContact CD1-CG 4.4Å; L2-H45 HydrophobicContact CB-CB 4.39Å; L2-H45 HydrophobicContact CD1-CB 4.14Å
3K51.6Low52.5Low139 Ų13970 Ų7060%0.60437%0.365SS*.Hα-helixtrans-64-42.8172.5-175.7180171.9-1730111.3M1 L6 E7M1-K3 PolarHBondContact O-N 3.2Å; K3-L6 PolarHBondContact O-N 3.39Å; K3-E7 WeakPolarHBondContact CE-OE1 3.39Å; K3-E7 IonicContact NZ-OE1 3.81Å; K3-E7 WeakPolarHBondContact O-CB 3.33Å; K3-E7 WeakPolarHBondContact O-CG 3.35Å; K3-E7 PolarHBondContact O-N 2.83Å
4A51.6Low52.5Low56 Ų5676.6 Ų76.646%0.46339%0.392SS..Hα-helixtrans-67.4-35.8175.500000111.7M1 H8M1-A4 CarbonylContact O-C 3.29Å; M1-A4 WeakPolarHBondContact O-CB 3.43Å; M1-A4 PolarHBondContact O-N 3.29Å; M1-A4 VanDerWaalsContact O-N 3.14Å; A4-H8 WeakPolarHBondContact O-CA 3.38Å; A4-H8 WeakPolarHBondContact O-CB 3.37Å; A4-H8 PolarHBondContact O-N 3.33Å
5T53.3Low52.4Low51 Ų5182.5 Ų82.531%0.31341%0.409SS..Hα-helixtrans-71.4-35.3171.655.30000111.1M1 L2 H8 L9M1-T5 PolarHBondContact O-N 2.68Å; M1-T5 PolarHBondContact O-OG1 3.23Å; L2-T5 WeakPolarHBondContact CA-OG1 3.39Å; L2-T5 PolarHBondContact O-N 3.32Å; L2-T5 PolarHBondContact O-OG1 3.13Å; T5-H8 CarbonylContact O-C 3.53Å; T5-L9 WeakPolarHBondContact O-CA 3.48Å; T5-L9 WeakPolarHBondContact O-CB 3.42Å; T5-L9 VanDerWaalsContact O-CD1 3.31Å; T5-L9 WeakPolarHBondContact O-CD1 3.43Å; T5-L9 WeakPolarHBondContact O-CG 3.36Å; T5-L9 PolarHBondContact O-N 3.1Å
6L53.9Low52.3Low8 Ų878.6 Ų78.64%0.04239%0.389CS..Hα-helixtrans-67.5-44.9174.1-77165.2000111.1L2 K3 L9 T10 F31 F49 L83 W84L2-L6 WeakPolarHBondContact O-CB 3.35Å; L2-L6 VanDerWaalsContact O-CG 3.28Å; L2-L6 WeakPolarHBondContact O-CG 3.33Å; L2-L6 PolarHBondContact O-N 3Å; K3-L6 PolarHBondContact O-N 3.39Å; L6-L9 PolarHBondContact O-N 3.4Å; L6-T10 WeakPolarHBondContact O-CB 3.4Å; L6-T10 WeakPolarHBondContact O-CG2 3.36Å; L6-T10 PolarHBondContact O-N 2.9Å; L6-T10 PolarHBondContact O-OG1 2.93Å; L6-F31 HydrophobicContact CD2-CZ 4.12Å; L6-F31 HydrophobicContact CG-CZ 4.37Å; L6-F49 HydrophobicContact CB-CE2 4.39Å; L6-F49 HydrophobicContact CD1-CD2 3.82Å; L6-F49 HydrophobicContact CD1-CE2 4.13Å; L6-F49 HydrophobicContact CD1-CG 4.27Å; L6-L83 HydrophobicContact CD2-CD2 3.39Å; L6-W84 HydrophobicContact CD1-CZ2 3.89Å
7E56.2Low52.4Low91 Ų9178.1 Ų78.143%0.42541%0.408SS..Hα-helixtrans-63-44173.6-78.9172.9-176.600110.7K3 T10 N11K3-E7 WeakPolarHBondContact CE-OE1 3.39Å; K3-E7 IonicContact NZ-OE1 3.81Å; K3-E7 WeakPolarHBondContact O-CB 3.33Å; K3-E7 WeakPolarHBondContact O-CG 3.35Å; K3-E7 PolarHBondContact O-N 2.83Å; E7-T10 WeakPolarHBondContact CA-OG1 3.45Å; E7-T10 CarbonylContact O-C 3.42Å; E7-T10 VanDerWaalsContact O-C 3.29Å; E7-T10 PolarHBondContact O-N 3.48Å; E7-T10 PolarHBondContact O-OG1 3.1Å; E7-N11 WeakPolarHBondContact O-CA 3.43Å; E7-N11 WeakPolarHBondContact O-CB 3.49Å; E7-N11 PolarHBondContact O-N 3.28Å; E7-N11 PolarHBondContact O-ND2 2.94Å; E7-N11 PolarHBondContact O-OD1 2.91Å
8H56.2Low52.5Low112 Ų11282.2 Ų82.252%0.51943%0.43SS..Hα-helixtrans-67.6-37175.3-169.369.9000111.5A4 T5 N11 L12A4-H8 WeakPolarHBondContact O-CA 3.38Å; A4-H8 WeakPolarHBondContact O-CB 3.37Å; A4-H8 PolarHBondContact O-N 3.33Å; T5-H8 CarbonylContact O-C 3.53Å; H8-N11 PolarHBondContact O-N 3.34Å; H8-L12 WeakPolarHBondContact CD2-CD1 3.4Å; H8-L12 WeakPolarHBondContact NE2-CD1 3.39Å; H8-L12 WeakPolarHBondContact O-CA 3.28Å; H8-L12 WeakPolarHBondContact O-CB 3.45Å; H8-L12 WeakPolarHBondContact O-CD1 3.38Å; H8-L12 WeakPolarHBondContact O-CG 3.46Å; H8-L12 PolarHBondContact O-N 3.26Å
9L54.4Low53Low21 Ų2181.6 Ų81.611%0.1143%0.426CS..Hα-helixtrans-63.2-44.4170.7-74.5165000109.4T5 L6 N11 T13 Y16 L27 F31T5-L9 WeakPolarHBondContact O-CA 3.48Å; T5-L9 WeakPolarHBondContact O-CB 3.42Å; T5-L9 VanDerWaalsContact O-CD1 3.31Å; T5-L9 WeakPolarHBondContact O-CD1 3.43Å; T5-L9 WeakPolarHBondContact O-CG 3.36Å; T5-L9 PolarHBondContact O-N 3.1Å; L6-L9 PolarHBondContact O-N 3.4Å; L9-N11 VanDerWaalsContact C-N 3.32Å; L9-N11 PolarHBondContact O-N 3.1Å; L9-T13 VanDerWaalsContact O-CG2 3.22Å; L9-T13 WeakPolarHBondContact O-CG2 3.48Å; L9-T13 PolarHBondContact O-N 3.16Å; L9-Y16 WeakPolarHBondContact CA-OH 3.39Å; L9-Y16 WeakPolarHBondContact CD2-OH 3.06Å; L9-Y16 WeakPolarHBondContact O-CE2 3.38Å; L9-Y16 VanDerWaalsContact O-CZ 3.26Å; L9-Y16 PolarHBondContact O-OH 3.18Å; L9-L27 HydrophobicContact CD2-CD1 3.8Å; L9-L27 HydrophobicContact CD2-CD2 3.23Å; L9-L27 HydrophobicContact CD2-CG 3.35Å; L9-F31 HydrophobicContact CD1-CD2 3.95Å; L9-F31 HydrophobicContact CD1-CE2 4.25Å; L9-F31 HydrophobicContact CD1-CG 4.44Å
10T55.1Low53.7Low50 Ų5081.2 Ų81.231%0.30743%0.429SS..Hα-helixtrans-77.3-7.5175.357.80000115.2L6 E7 T13L6-T10 WeakPolarHBondContact O-CB 3.4Å; L6-T10 WeakPolarHBondContact O-CG2 3.36Å; L6-T10 PolarHBondContact O-N 2.9Å; L6-T10 PolarHBondContact O-OG1 2.93Å; E7-T10 WeakPolarHBondContact CA-OG1 3.45Å; E7-T10 CarbonylContact O-C 3.42Å; E7-T10 VanDerWaalsContact O-C 3.29Å; E7-T10 PolarHBondContact O-N 3.48Å; E7-T10 PolarHBondContact O-OG1 3.1Å; T10-T13 VanDerWaalsContact CA-OG1 3.23Å; T10-T13 WeakPolarHBondContact CA-OG1 3.37Å; T10-T13 PolarHBondContact O-OG1 3.34Å
11N54.2Low54.4Low102 Ų10288.2 Ų88.255%0.54545%0.45SS..Hα-helixtrans-103.6-40.2176-72.5-15.8000109.4E7 H8 L9 T13 H14E7-N11 WeakPolarHBondContact O-CA 3.43Å; E7-N11 WeakPolarHBondContact O-CB 3.49Å; E7-N11 PolarHBondContact O-N 3.28Å; E7-N11 PolarHBondContact O-ND2 2.94Å; E7-N11 PolarHBondContact O-OD1 2.91Å; H8-N11 PolarHBondContact O-N 3.34Å; L9-N11 VanDerWaalsContact C-N 3.32Å; L9-N11 PolarHBondContact O-N 3.1Å; N11-T13 PolarHBondContact O-N 3.37Å; N11-H14 WeakPolarHBondContact O-CB 3.4Å; N11-H14 PolarHBondContact O-N 2.96Å
12L52.7Low55.8Low54 Ų5483.7 Ų83.728%0.28343%0.433SS..Hα-helixtrans-55.8-31159-67.1169.4000109.1H8 H14 Y15 Y16H8-L12 WeakPolarHBondContact CD2-CD1 3.4Å; H8-L12 WeakPolarHBondContact NE2-CD1 3.39Å; H8-L12 WeakPolarHBondContact O-CA 3.28Å; H8-L12 WeakPolarHBondContact O-CB 3.45Å; H8-L12 WeakPolarHBondContact O-CD1 3.38Å; H8-L12 WeakPolarHBondContact O-CG 3.46Å; H8-L12 PolarHBondContact O-N 3.26Å; L12-H14 PolarHBondContact O-N 3.46Å; L12-H14 VanDerWaalsContact O-N 3.11Å; L12-Y15 CarbonylContact O-C 3.29Å; L12-Y15 VanDerWaalsContact O-C 3.29Å; L12-Y15 WeakPolarHBondContact O-CA 3.46Å; L12-Y15 VanDerWaalsContact O-CB 3.28Å; L12-Y15 WeakPolarHBondContact O-CB 3.45Å; L12-Y15 PolarHBondContact O-N 2.78Å; L12-Y16 HydrophobicContact CB-CD2 4.02Å; L12-Y16 HydrophobicContact CB-CE2 3.37Å; L12-Y16 WeakPolarHBondContact O-CD2 3.02Å; L12-Y16 WeakPolarHBondContact O-CE2 3.48Å; L12-Y16 PolarHBondContact O-N 3.08Å
13T50.3Low57Low7 Ų784.8 Ų84.84%0.04344%0.443CS..Hα-helixtrans-55.9-27.7171.560.10000114.1L9 T10 N11 Y15 Y16 W75L9-T13 VanDerWaalsContact O-CG2 3.22Å; L9-T13 WeakPolarHBondContact O-CG2 3.48Å; L9-T13 PolarHBondContact O-N 3.16Å; T10-T13 VanDerWaalsContact CA-OG1 3.23Å; T10-T13 WeakPolarHBondContact CA-OG1 3.37Å; T10-T13 PolarHBondContact O-OG1 3.34Å; N11-T13 PolarHBondContact O-N 3.37Å; T13-Y15 PolarHBondContact O-N 2.73Å; T13-Y16 VanDerWaalsContact CA-CG 3.4Å; T13-Y16 HydrophobicContact CG2-CD1 3.59Å; T13-Y16 HydrophobicContact CG2-CD2 4.32Å; T13-Y16 HydrophobicContact CG2-CE1 3.57Å; T13-Y16 HydrophobicContact CG2-CE2 4.26Å; T13-Y16 HydrophobicContact CG2-CG 3.93Å; T13-Y16 VanDerWaalsContact N-CD2 3.3Å; T13-Y16 VanDerWaalsContact N-CE2 3.32Å; T13-Y16 WeakPolarHBondContact O-CB 3.44Å; T13-Y16 PolarHBondContact O-N 3.18Å; T13-W75 HydrophobicContact CG2-CH2 3.46Å; T13-W75 VanDerWaalsContact CG2-CH2 3.46Å; T13-W75 HydrophobicContact CG2-CZ2 4.33Å; T13-W75 HydrophobicContact CG2-CZ3 3.82Å; T13-W75 WeakPolarHBondContact O-CH2 3.42Å; T13-W75 VanDerWaalsContact O-CZ2 3.24Å; T13-W75 WeakPolarHBondContact O-CZ2 3.14Å
14H52.8Low57.8Low163 Ų16381.1 Ų81.176%0.75543%0.427SS*.Hα-helixtrans-60.8-35.8170-165.29.2000112N11 L12N11-H14 WeakPolarHBondContact O-CB 3.4Å; N11-H14 PolarHBondContact O-N 2.96Å; L12-H14 PolarHBondContact O-N 3.46Å; L12-H14 VanDerWaalsContact O-N 3.11Å
15Y50.6Low59Low164 Ų16483.4 Ų83.464%0.64343%0.429SS*.Hα-helixtrans-83.1-15.1169.9-63.2-84.7000113.9L12 T13 G17 L18L12-Y15 CarbonylContact O-C 3.29Å; L12-Y15 VanDerWaalsContact O-C 3.29Å; L12-Y15 WeakPolarHBondContact O-CA 3.46Å; L12-Y15 VanDerWaalsContact O-CB 3.28Å; L12-Y15 WeakPolarHBondContact O-CB 3.45Å; L12-Y15 PolarHBondContact O-N 2.78Å; T13-Y15 PolarHBondContact O-N 2.73Å; Y15-G17 PolarHBondContact O-N 3.05Å; Y15-G17 VanDerWaalsContact O-N 3.09Å; Y15-L18 PolarHBondContact O-N 2.97Å
16Y51Low60.3Low21 Ų2186.4 Ų86.48%0.08244%0.443CS..THydrogen-bonded Turntrans-66.4-10.3179.7-78.2-152.1000113.6L9 L12 T13 L18 L19 K24 L27 W75L9-Y16 WeakPolarHBondContact CA-OH 3.39Å; L9-Y16 WeakPolarHBondContact CD2-OH 3.06Å; L9-Y16 WeakPolarHBondContact O-CE2 3.38Å; L9-Y16 VanDerWaalsContact O-CZ 3.26Å; L9-Y16 PolarHBondContact O-OH 3.18Å; L12-Y16 HydrophobicContact CB-CD2 4.02Å; L12-Y16 HydrophobicContact CB-CE2 3.37Å; L12-Y16 WeakPolarHBondContact O-CD2 3.02Å; L12-Y16 WeakPolarHBondContact O-CE2 3.48Å; L12-Y16 PolarHBondContact O-N 3.08Å; T13-Y16 VanDerWaalsContact CA-CG 3.4Å; T13-Y16 HydrophobicContact CG2-CD1 3.59Å; T13-Y16 HydrophobicContact CG2-CD2 4.32Å; T13-Y16 HydrophobicContact CG2-CE1 3.57Å; T13-Y16 HydrophobicContact CG2-CE2 4.26Å; T13-Y16 HydrophobicContact CG2-CG 3.93Å; T13-Y16 VanDerWaalsContact N-CD2 3.3Å; T13-Y16 VanDerWaalsContact N-CE2 3.32Å; T13-Y16 WeakPolarHBondContact O-CB 3.44Å; T13-Y16 PolarHBondContact O-N 3.18Å; Y16-L18 PolarHBondContact O-N 3.23Å; Y16-L19 HydrophobicContact CD2-CD1 3.68Å; Y16-L19 HydrophobicContact CE2-CD1 4.22Å; Y16-L19 HydrophobicContact CG-CD1 4.26Å; Y16-K24 HydrophobicContact CD1-CD 4.18Å; Y16-K24 HydrophobicContact CD1-CG 4Å; Y16-K24 WeakPolarHBondContact O-CE 3.32Å; Y16-K24 PolarHBondContact O-NZ 3.41Å; Y16-L27 HydrophobicContact CE2-CD2 4.5Å; Y16-L27 VanDerWaalsContact OH-CD2 3.32Å; Y16-L27 WeakPolarHBondContact OH-CD2 3.46Å; Y16-W75 HydrophobicContact CD1-CH2 4.24Å; Y16-W75 HydrophobicContact CD1-CZ3 4.48Å; Y16-W75 HydrophobicContact CG-CH2 4.31Å
17G53.9Low61.6Low70 Ų7088.9 Ų88.972%0.72246%0.456SS*.THydrogen-bonded Turntrans-53.9-33164.800000111.9Y15Y15-G17 PolarHBondContact O-N 3.05Å; Y15-G17 VanDerWaalsContact O-N 3.09Å
18L55.6Low62.8Low152 Ų15287.7 Ų87.780%0.79645%0.447SS*.THydrogen-bonded Turntrans-95.5-20.2-175.9-70.4121.4000114.9Y15 Y16Y15-L18 PolarHBondContact O-N 2.97Å; Y16-L18 PolarHBondContact O-N 3.23Å
19L61.8Low64.1Low70 Ų7083.5 Ų83.537%0.36643%0.429SS..SBendtrans-75.1135.8-176.8-80157.4000111.8Y16 K24Y16-L19 HydrophobicContact CD2-CD1 3.68Å; Y16-L19 HydrophobicContact CE2-CD1 4.22Å; Y16-L19 HydrophobicContact CG-CD1 4.26Å; L19-K24 HydrophobicContact CB-CG 4.49Å; L19-K24 WeakPolarHBondContact O-CE 3.36Å
20P67.3Low65.5Low73 Ų7385 Ų8547%0.47444%0.439SS..  trans-53149.1172.3-26.133.9000112.4T22 S23 K24P20-T22 PolarHBondContact O-N 3.23Å; P20-T22 VanDerWaalsContact O-N 3.14Å; P20-S23 PolarHBondContact O-N 2.95Å; P20-S23 VanDerWaalsContact O-N 3.09Å; P20-K24 PolarHBondContact O-N 3.31Å
21R68Low67Low229 Ų22983.3 Ų83.386%0.86443%0.427SS*.Hα-helixtrans-52.9-36.6176.7-74.8-175.1-177.6177.72.3112K24 M25R21-K24 PolarHBondContact O-N 3.14Å; R21-M25 PolarHBondContact O-N 3.41Å
22T72.8Confident68.5Low103 Ų10378.5 Ų78.563%0.63240%0.402SS*.Hα-helixtrans-61.7-47.3177.649.30000112.2P20 K24 M25 L26P20-T22 PolarHBondContact O-N 3.23Å; P20-T22 VanDerWaalsContact O-N 3.14Å; T22-K24 VanDerWaalsContact C-N 3.29Å; T22-K24 PolarHBondContact O-N 2.97Å; T22-M25 WeakPolarHBondContact O-CB 3.3Å; T22-M25 PolarHBondContact O-N 3.45Å; T22-M25 VanDerWaalsContact O-N 3.12Å; T22-L26 PolarHBondContact O-N 2.88Å
23S74.4Confident70.1Confident45 Ų4581.6 Ų81.632%0.31542%0.415SS..Hα-helixtrans-62.6-37.1-179.8-470000112.1P20 L26 L27P20-S23 PolarHBondContact O-N 2.95Å; P20-S23 VanDerWaalsContact O-N 3.09Å; S23-L26 PolarHBondContact O-N 3.15Å; S23-L27 WeakPolarHBondContact O-CB 3.15Å; S23-L27 PolarHBondContact O-N 3.18Å
24K67.8Low71.8Confident61 Ų6185.3 Ų85.327%0.26544%0.437SS..Hα-helixtrans-64.8-41.2175.3-61.1177.8-166.7179.50111.7Y16 L19 P20 R21 T22 R28Y16-K24 HydrophobicContact CD1-CD 4.18Å; Y16-K24 HydrophobicContact CD1-CG 4Å; Y16-K24 WeakPolarHBondContact O-CE 3.32Å; Y16-K24 PolarHBondContact O-NZ 3.41Å; L19-K24 HydrophobicContact CB-CG 4.49Å; L19-K24 WeakPolarHBondContact O-CE 3.36Å; P20-K24 PolarHBondContact O-N 3.31Å; R21-K24 PolarHBondContact O-N 3.14Å; T22-K24 VanDerWaalsContact C-N 3.29Å; T22-K24 PolarHBondContact O-N 2.97Å; K24-R28 WeakPolarHBondContact O-CG 3.18Å; K24-R28 PolarHBondContact O-N 3.1Å
25M77.7Confident73.5Confident105 Ų10577.6 Ų77.652%0.51740%0.401SS..Hα-helixtrans-63.8-49.5177.7-167.4173.888.700110.2R21 T22 L27 R28 D29R21-M25 PolarHBondContact O-N 3.41Å; T22-M25 WeakPolarHBondContact O-CB 3.3Å; T22-M25 PolarHBondContact O-N 3.45Å; T22-M25 VanDerWaalsContact O-N 3.12Å; M25-L27 VanDerWaalsContact C-N 3.32Å; M25-L27 PolarHBondContact O-N 3.38Å; M25-R28 PolarHBondContact O-N 3.14Å; M25-R28 VanDerWaalsContact O-N 3.13Å; M25-D29 VanDerWaalsContact O-CG 3.23Å; M25-D29 PolarHBondContact O-N 3.12Å
26L80Confident75.1Confident114 Ų11472.8 Ų72.860%0.59739%0.387SS*.Hα-helixtrans-54.9-46.1179.1-173.768.8000111.8T22 S23 R28 D29 T30T22-L26 PolarHBondContact O-N 2.88Å; S23-L26 PolarHBondContact O-N 3.15Å; L26-R28 VanDerWaalsContact C-N 3.33Å; L26-R28 PolarHBondContact O-N 2.89Å; L26-D29 PolarHBondContact O-N 3.18Å; L26-D29 VanDerWaalsContact O-N 3.13Å; L26-T30 HydrophobicContact CD1-CG2 4.49Å; L26-T30 HydrophobicContact CG-CG2 4.4Å; L26-T30 WeakPolarHBondContact O-CG2 3.48Å; L26-T30 PolarHBondContact O-N 3.25Å; L26-T30 PolarHBondContact O-OG1 2.93Å
27L80.2Confident76.9Confident59 Ų5978.8 Ų78.831%0.30942%0.419SS..Hα-helixtrans-66.6-32.4-178.4-174.655000113.8L9 Y16 S23 M25 T30 F31L9-L27 HydrophobicContact CD2-CD1 3.8Å; L9-L27 HydrophobicContact CD2-CD2 3.23Å; L9-L27 HydrophobicContact CD2-CG 3.35Å; Y16-L27 HydrophobicContact CE2-CD2 4.5Å; Y16-L27 VanDerWaalsContact OH-CD2 3.32Å; Y16-L27 WeakPolarHBondContact OH-CD2 3.46Å; S23-L27 WeakPolarHBondContact O-CB 3.15Å; S23-L27 PolarHBondContact O-N 3.18Å; M25-L27 VanDerWaalsContact C-N 3.32Å; M25-L27 PolarHBondContact O-N 3.38Å; L27-T30 WeakPolarHBondContact CA-OG1 2.87Å; L27-T30 PolarHBondContact O-OG1 3.13Å; L27-T30 VanDerWaalsContact O-OG1 3.1Å; L27-F31 VanDerWaalsContact O-CB 3.28Å; L27-F31 WeakPolarHBondContact O-CB 3.49Å; L27-F31 PolarHBondContact O-N 3.34Å; L27-F31 VanDerWaalsContact O-N 3.1Å
28R81.3Confident78.7Confident66 Ų6679.1 Ų79.125%0.24940%0.404CS..Hα-helixtrans-72.8-35.2172.7-63.3-178-46173.412.4111.3K24 M25 L26 A32 L83K24-R28 WeakPolarHBondContact O-CG 3.18Å; K24-R28 PolarHBondContact O-N 3.1Å; M25-R28 PolarHBondContact O-N 3.14Å; M25-R28 VanDerWaalsContact O-N 3.13Å; L26-R28 VanDerWaalsContact C-N 3.33Å; L26-R28 PolarHBondContact O-N 2.89Å; R28-A32 WeakPolarHBondContact O-CB 3.43Å; R28-A32 PolarHBondContact O-N 3.06Å; R28-L83 HydrophobicContact CB-CD1 4.02Å; R28-L83 HydrophobicContact CG-CD1 3.88Å
29D84.2Confident80.3Confident25 Ų2572.9 Ų72.913%0.13437%0.373CS..Hα-helixtrans-69.2-47.1179.1-66.5-24.3000110.4M25 L26 F31 A32 E33 R86M25-D29 VanDerWaalsContact O-CG 3.23Å; M25-D29 PolarHBondContact O-N 3.12Å; L26-D29 PolarHBondContact O-N 3.18Å; L26-D29 VanDerWaalsContact O-N 3.13Å; D29-F31 VanDerWaalsContact C-N 3.33Å; D29-F31 PolarHBondContact O-N 3.34Å; D29-A32 WeakPolarHBondContact O-CB 3.46Å; D29-A32 PolarHBondContact O-N 3.47Å; D29-A32 VanDerWaalsContact O-N 3.1Å; D29-E33 WeakPolarHBondContact O-CG 3.09Å; D29-E33 PolarHBondContact O-N 3.44Å; D29-R86 IonicContact OD1-CZ 3.18Å; D29-R86 IonicContact OD1-NE 2.73Å; D29-R86 PolarHBondContact OD1-NE 2.85Å; D29-R86 IonicContact OD1-NH2 2.78Å; D29-R86 PolarHBondContact OD1-NH2 3.26Å; D29-R86 IonicContact OD2-NH2 3.63Å
30T84.9Confident81.7Confident53 Ų5378.7 Ų78.733%0.32539%0.39SS..Hα-helixtrans-62.3-39.7174.157.50000111.9L26 L27 A32 E33 V34L26-T30 HydrophobicContact CD1-CG2 4.49Å; L26-T30 HydrophobicContact CG-CG2 4.4Å; L26-T30 WeakPolarHBondContact O-CG2 3.48Å; L26-T30 PolarHBondContact O-N 3.25Å; L26-T30 PolarHBondContact O-OG1 2.93Å; L27-T30 WeakPolarHBondContact CA-OG1 2.87Å; L27-T30 PolarHBondContact O-OG1 3.13Å; L27-T30 VanDerWaalsContact O-OG1 3.1Å; T30-A32 VanDerWaalsContact C-N 3.34Å; T30-A32 PolarHBondContact O-N 3.1Å; T30-E33 PolarHBondContact O-N 3.33Å; T30-V34 WeakPolarHBondContact O-CG2 3.46Å; T30-V34 PolarHBondContact O-N 3.09Å
31F85.3Confident82.8Confident14 Ų1478.8 Ų78.86%0.06139%0.386CS..Hα-helixtrans-62-42.2173.3-177.1-95.4000112L2 L6 L9 L27 D29 E33 V34 C35 L83 W84 V87L2-F31 HydrophobicContact CD2-CD2 4.41Å; L2-F31 HydrophobicContact CD2-CE2 3.35Å; L2-F31 HydrophobicContact CD2-CZ 3.62Å; L6-F31 HydrophobicContact CD2-CZ 4.12Å; L6-F31 HydrophobicContact CG-CZ 4.37Å; L9-F31 HydrophobicContact CD1-CD2 3.95Å; L9-F31 HydrophobicContact CD1-CE2 4.25Å; L9-F31 HydrophobicContact CD1-CG 4.44Å; L27-F31 VanDerWaalsContact O-CB 3.28Å; L27-F31 WeakPolarHBondContact O-CB 3.49Å; L27-F31 PolarHBondContact O-N 3.34Å; L27-F31 VanDerWaalsContact O-N 3.1Å; D29-F31 VanDerWaalsContact C-N 3.33Å; D29-F31 PolarHBondContact O-N 3.34Å; F31-E33 VanDerWaalsContact C-N 3.34Å; F31-V34 PolarHBondContact O-N 3.42Å; F31-C35 VanDerWaalsContact CE1-SG 3.56Å; F31-C35 WeakPolarHBondContact O-CB 2.94Å; F31-C35 PolarHBondContact O-N 3.12Å; F31-C35 PolarHBondContact O-SG 3.31Å; F31-L83 HydrophobicContact CB-CD1 4.42Å; F31-L83 HydrophobicContact CD1-CD1 3.69Å; F31-L83 HydrophobicContact CD1-CD2 4.27Å; F31-L83 HydrophobicContact CD1-CG 4.14Å; F31-L83 HydrophobicContact CE1-CD1 4.27Å; F31-L83 HydrophobicContact CE1-CD2 4.08Å; F31-L83 HydrophobicContact CE1-CG 4.22Å; F31-L83 HydrophobicContact CG-CD1 4.25Å; F31-W84 HydrophobicContact CE1-CH2 4.47Å; F31-V87 HydrophobicContact CD1-CG2 3.74Å; F31-V87 HydrophobicContact CE1-CG2 3.83Å
32A86.3Confident83.9Confident0 Ų068 Ų680%035%0.346CS..Hα-helixtrans-64.1-38.8176.800000112.1R28 D29 T30 C35 L36 V87 T90R28-A32 WeakPolarHBondContact O-CB 3.43Å; R28-A32 PolarHBondContact O-N 3.06Å; D29-A32 WeakPolarHBondContact O-CB 3.46Å; D29-A32 PolarHBondContact O-N 3.47Å; D29-A32 VanDerWaalsContact O-N 3.1Å; T30-A32 VanDerWaalsContact C-N 3.34Å; T30-A32 PolarHBondContact O-N 3.1Å; A32-C35 WeakPolarHBondContact O-CB 3.18Å; A32-C35 PolarHBondContact O-N 2.82Å; A32-L36 PolarHBondContact O-N 3.49Å; A32-V87 HydrophobicContact CB-CG2 4.23Å; A32-T90 HydrophobicContact CB-CG2 4.32Å
33E86.9Confident84.8Confident120 Ų12066.4 Ų66.456%0.56133%0.329SS*.Hα-helixtrans-63.9-44.4173.2-71.5172-175.200112.1D29 T30 F31 C35 L36D29-E33 WeakPolarHBondContact O-CG 3.09Å; D29-E33 PolarHBondContact O-N 3.44Å; T30-E33 PolarHBondContact O-N 3.33Å; F31-E33 VanDerWaalsContact C-N 3.34Å; E33-C35 VanDerWaalsContact C-N 3.25Å; E33-C35 PolarHBondContact O-N 3.27Å; E33-L36 WeakPolarHBondContact O-CB 3.31Å; E33-L36 PolarHBondContact O-N 3.43Å; E33-L36 VanDerWaalsContact O-N 3.1Å
34V86.2Confident85.7Confident84 Ų8472.7 Ų72.751%0.50935%0.346SS..Hα-helixtrans-61.3-37.4174.3171.20000111.1T30 F31 L36 L37T30-V34 WeakPolarHBondContact O-CG2 3.46Å; T30-V34 PolarHBondContact O-N 3.09Å; F31-V34 PolarHBondContact O-N 3.42Å; V34-L36 VanDerWaalsContact C-N 3.27Å; V34-L36 PolarHBondContact O-N 2.92Å; V34-L37 WeakPolarHBondContact O-CB 3.41Å; V34-L37 PolarHBondContact O-N 3.45Å; V34-L37 VanDerWaalsContact O-N 3.16Å
35C86.9Confident86.7Confident1 Ų172.2 Ų72.21%0.00734%0.344CS..Hα-helixtrans-64.8-27.6176.4-82.40000113.8F31 A32 E33 L37 N38 T42 V87F31-C35 VanDerWaalsContact CE1-SG 3.56Å; F31-C35 WeakPolarHBondContact O-CB 2.94Å; F31-C35 PolarHBondContact O-N 3.12Å; F31-C35 PolarHBondContact O-SG 3.31Å; A32-C35 WeakPolarHBondContact O-CB 3.18Å; A32-C35 PolarHBondContact O-N 2.82Å; E33-C35 VanDerWaalsContact C-N 3.25Å; E33-C35 PolarHBondContact O-N 3.27Å; C35-L37 VanDerWaalsContact C-N 3.32Å; C35-N38 CarbonylContact O-C 3.59Å; C35-T42 WeakPolarHBondContact CA-OG1 3Å; C35-T42 HydrophobicContact CB-CG2 3.76Å; C35-T42 PolarHBondContact O-OG1 3.39Å; C35-V87 HydrophobicContact CB-CG1 3.8Å
36L85.6Confident87.4Confident64 Ų6467.2 Ų67.234%0.33532%0.32SS..Hα-helixtrans-68.5-29.6173.2-75.2171.3000112.5A32 E33 V34 N38 P39 T90 C91 E94A32-L36 PolarHBondContact O-N 3.49Å; E33-L36 WeakPolarHBondContact O-CB 3.31Å; E33-L36 PolarHBondContact O-N 3.43Å; E33-L36 VanDerWaalsContact O-N 3.1Å; V34-L36 VanDerWaalsContact C-N 3.27Å; V34-L36 PolarHBondContact O-N 2.92Å; L36-N38 PolarHBondContact O-N 2.87Å; L36-P39 WeakPolarHBondContact O-CD 3.28Å; L36-T90 HydrophobicContact CD1-CG2 3.8Å; L36-T90 HydrophobicContact CG-CG2 4.41Å; L36-C91 HydrophobicContact CD2-CB 3.94Å; L36-C91 WeakPolarHBondContact CD2-SG 3.36Å; L36-E94 HydrophobicContact CD2-CG 4.47Å
37L89Confident88Confident147 Ų14766.2 Ų66.277%0.7731%0.311SS*.Hα-helixtrans-64.7-27.2-178.5-59176.9000112.7V34 C35V34-L37 WeakPolarHBondContact O-CB 3.41Å; V34-L37 PolarHBondContact O-N 3.45Å; V34-L37 VanDerWaalsContact O-N 3.16Å; C35-L37 VanDerWaalsContact C-N 3.32Å
38N89.6Confident88.6Confident76 Ų7668 Ų6841%0.40632%0.32SS..  trans-145.683.1176.4-165.2-34.5000112.3C35 L36 R40 L41 T42C35-N38 CarbonylContact O-C 3.59Å; L36-N38 PolarHBondContact O-N 2.87Å; N38-R40 VanDerWaalsContact C-N 3.26Å; N38-R40 PolarHBondContact O-N 3.2Å; N38-R40 PolarHBondContact OD1-N 2.92Å; N38-L41 HydrophobicContact CB-CB 4.08Å; N38-L41 PolarHBondContact O-N 3.27Å; N38-L41 WeakPolarHBondContact OD1-CB 3.42Å; N38-L41 PolarHBondContact OD1-N 3.45Å; N38-T42 WeakPolarHBondContact O-CB 3.34Å; N38-T42 PolarHBondContact O-N 3.36Å; N38-T42 PolarHBondContact O-OG1 3.33Å; N38-T42 VanDerWaalsContact O-OG1 3.05Å
39P89.7Confident89.1Confident22 Ų2267.3 Ų67.314%0.14332%0.319CS..Hα-helixtrans-60.5-32.9-177.6-25.135.4000113.4L36 T42 Y43 E94 V96L36-P39 WeakPolarHBondContact O-CD 3.28Å; P39-T42 PolarHBondContact O-N 3.12Å; P39-Y43 WeakPolarHBondContact O-CB 3.25Å; P39-Y43 PolarHBondContact O-N 2.78Å; P39-E94 HydrophobicContact CB-CG 4.34Å; P39-E94 HydrophobicContact CG-CG 4.11Å; P39-E94 WeakPolarHBondContact CG-OE2 3.4Å; P39-V96 HydrophobicContact CB-CB 4.36Å
40R91.5Very high89.6Confident192 Ų19266.4 Ų66.473%0.72531%0.314SS*.Hα-helixtrans-66.9-43.8178.7-66.4-178.1179.8179.20.3112N38 R44 V96N38-R40 VanDerWaalsContact C-N 3.26Å; N38-R40 PolarHBondContact O-N 3.2Å; N38-R40 PolarHBondContact OD1-N 2.92Å; R40-R44 PolarHBondContact O-N 3.5Å; R40-V96 HydrophobicContact CG-CG1 4.36Å
41L90.1Very high90.1Very high74 Ų7470.6 Ų70.639%0.38732%0.324SS..Hα-helixtrans-69.7-41.8176.3-171.265.5000111.1L2 N38 Y43 R44 H45L2-L41 HydrophobicContact CD1-CD2 4.47Å; L2-L41 HydrophobicContact CD1-CG 4.4Å; N38-L41 HydrophobicContact CB-CB 4.08Å; N38-L41 PolarHBondContact O-N 3.27Å; N38-L41 WeakPolarHBondContact OD1-CB 3.42Å; N38-L41 PolarHBondContact OD1-N 3.45Å; L41-Y43 VanDerWaalsContact C-N 3.32Å; L41-Y43 PolarHBondContact O-N 2.86Å; L41-R44 PolarHBondContact O-N 2.93Å; L41-H45 VanDerWaalsContact CD1-CE1 3.46Å; L41-H45 WeakPolarHBondContact CD1-CE1 3.31Å; L41-H45 PolarHBondContact O-N 3.11Å; L41-H45 PolarHBondContact O-ND1 2.74Å
42T90.8Very high90.4Very high3 Ų374.9 Ų74.92%0.01834%0.344CS..Hα-helixtrans-56-47.2174.5-64.20000110.7C35 N38 P39 R44 H45 A46 W84 V87 L97C35-T42 WeakPolarHBondContact CA-OG1 3Å; C35-T42 HydrophobicContact CB-CG2 3.76Å; C35-T42 PolarHBondContact O-OG1 3.39Å; N38-T42 WeakPolarHBondContact O-CB 3.34Å; N38-T42 PolarHBondContact O-N 3.36Å; N38-T42 PolarHBondContact O-OG1 3.33Å; N38-T42 VanDerWaalsContact O-OG1 3.05Å; P39-T42 PolarHBondContact O-N 3.12Å; T42-R44 PolarHBondContact O-N 3.15Å; T42-H45 PolarHBondContact O-N 3.04Å; T42-A46 WeakPolarHBondContact O-CB 3.46Å; T42-A46 PolarHBondContact O-N 3.27Å; T42-W84 HydrophobicContact CG2-CZ3 4.08Å; T42-V87 HydrophobicContact CG2-CG1 4.15Å; T42-L97 HydrophobicContact CG2-CD1 4.38Å; T42-L97 HydrophobicContact CG2-CD2 4.05Å
43Y93.2Very high90.8Very high70 Ų7075.4 Ų75.428%0.27535%0.347SS..Hα-helixtrans-54.5-49.7177178.9-86.5000112.3P39 L41 H45 A46 F47 V96 L97 P99 I100P39-Y43 WeakPolarHBondContact O-CB 3.25Å; P39-Y43 PolarHBondContact O-N 2.78Å; L41-Y43 VanDerWaalsContact C-N 3.32Å; L41-Y43 PolarHBondContact O-N 2.86Å; Y43-H45 VanDerWaalsContact C-N 3.34Å; Y43-H45 PolarHBondContact O-N 3.39Å; Y43-A46 PolarHBondContact O-N 2.83Å; Y43-F47 VanDerWaalsContact O-CB 3.25Å; Y43-F47 WeakPolarHBondContact O-CB 3.25Å; Y43-F47 PolarHBondContact O-N 3.37Å; Y43-V96 HydrophobicContact CD2-CG1 4.48Å; Y43-V96 WeakPolarHBondContact CD2-O 3.49Å; Y43-V96 WeakPolarHBondContact CE2-O 3.33Å; Y43-V96 HydrophobicContact CG-CG1 4.4Å; Y43-L97 HydrophobicContact CD2-CD2 4.38Å; Y43-P99 HydrophobicContact CE2-CB 4.08Å; Y43-P99 HydrophobicContact CE2-CG 4.18Å; Y43-I100 HydrophobicContact CD1-CD1 4.44Å; Y43-I100 HydrophobicContact CD2-CD1 3.17Å; Y43-I100 HydrophobicContact CD2-CG1 3.67Å; Y43-I100 HydrophobicContact CE2-CD1 3.52Å; Y43-I100 HydrophobicContact CE2-CG1 3.48Å; Y43-I100 VanDerWaalsContact CE2-CG1 3.48Å; Y43-I100 HydrophobicContact CG-CD1 3.7Å; Y43-I100 WeakPolarHBondContact O-CD1 3.32Å
44R92.1Very high91.1Very high177 Ų17771.6 Ų71.667%0.66834%0.336SS*.Hα-helixtrans-59.6-43.5-179.1-69.4178.5179.5-179.7-0.1112.1R40 L41 T42 L48R40-R44 PolarHBondContact O-N 3.5Å; L41-R44 PolarHBondContact O-N 2.93Å; T42-R44 PolarHBondContact O-N 3.15Å; R44-L48 WeakPolarHBondContact O-CG 3.34Å; R44-L48 PolarHBondContact O-N 2.66Å
45H89.4Confident91.5Very high50 Ų5071 Ų7123%0.23133%0.329CS..Hα-helixtrans-72.1-44.6179.3-70.188.2000112.2L2 L41 T42 Y43 F47 L48 F49L2-H45 HydrophobicContact CB-CB 4.39Å; L2-H45 HydrophobicContact CD1-CB 4.14Å; L41-H45 VanDerWaalsContact CD1-CE1 3.46Å; L41-H45 WeakPolarHBondContact CD1-CE1 3.31Å; L41-H45 PolarHBondContact O-N 3.11Å; L41-H45 PolarHBondContact O-ND1 2.74Å; T42-H45 PolarHBondContact O-N 3.04Å; Y43-H45 VanDerWaalsContact C-N 3.34Å; Y43-H45 PolarHBondContact O-N 3.39Å; H45-F47 VanDerWaalsContact C-N 3.33Å; H45-F47 PolarHBondContact O-N 2.76Å; H45-L48 PolarHBondContact O-N 3.42Å; H45-F49 WeakPolarHBondContact O-CB 3.39Å; H45-F49 PolarHBondContact O-N 3.14Å
46A91.8Very high91.7Very high1 Ų172.3 Ų72.31%0.00834%0.339CS..Hα-helixtrans-58-46.3177.100000111.2T42 Y43 L48 F49 I50 W84 I100T42-A46 WeakPolarHBondContact O-CB 3.46Å; T42-A46 PolarHBondContact O-N 3.27Å; Y43-A46 PolarHBondContact O-N 2.83Å; A46-L48 PolarHBondContact O-N 3.24Å; A46-F49 PolarHBondContact O-N 3.36Å; A46-I50 HydrophobicContact CB-CD1 4.4Å; A46-I50 VanDerWaalsContact O-CB 3.32Å; A46-I50 WeakPolarHBondContact O-CB 3.18Å; A46-I50 WeakPolarHBondContact O-CD1 3.28Å; A46-I50 VanDerWaalsContact O-CG1 3.25Å; A46-I50 WeakPolarHBondContact O-CG1 3.42Å; A46-I50 PolarHBondContact O-N 3.45Å; A46-W84 VanDerWaalsContact CA-CH2 3.47Å; A46-W84 HydrophobicContact CB-CD2 4.34Å; A46-W84 HydrophobicContact CB-CE3 3.75Å; A46-W84 HydrophobicContact CB-CH2 3.54Å; A46-W84 HydrophobicContact CB-CZ2 4.12Å; A46-W84 HydrophobicContact CB-CZ3 3.35Å; A46-I100 HydrophobicContact CB-CD1 3.69Å; A46-I100 HydrophobicContact CB-CG2 4.44Å
47F94Very high92Very high93 Ų9370 Ų7041%0.40833%0.327SS..Hα-helixtrans-57.5-51.3178.8178.8-96.8000112Y43 H45 F49 R51 I100Y43-F47 VanDerWaalsContact O-CB 3.25Å; Y43-F47 WeakPolarHBondContact O-CB 3.25Å; Y43-F47 PolarHBondContact O-N 3.37Å; H45-F47 VanDerWaalsContact C-N 3.33Å; H45-F47 PolarHBondContact O-N 2.76Å; F47-F49 VanDerWaalsContact C-N 3.34Å; F47-F49 PolarHBondContact O-N 3.31Å; F47-R51 VanDerWaalsContact O-CB 3.29Å; F47-R51 WeakPolarHBondContact O-CB 3.37Å; F47-R51 PolarHBondContact O-N 2.86Å; F47-I100 HydrophobicContact CB-CD1 4.31Å
48L92.8Very high92.2Very high97 Ų9771 Ų7151%0.50832%0.32SS..Hα-helixtrans-63.3-41.2179.7-67.7174.9000111.9R44 H45 A46 Q52R44-L48 WeakPolarHBondContact O-CG 3.34Å; R44-L48 PolarHBondContact O-N 2.66Å; H45-L48 PolarHBondContact O-N 3.42Å; A46-L48 PolarHBondContact O-N 3.24Å; L48-Q52 PolarHBondContact O-N 2.84Å; L48-Q52 VanDerWaalsContact O-N 3.1Å
49F91.8Very high92.3Very high50 Ų5071.1 Ų71.122%0.21932%0.321CS..Hα-helixtrans-70.1-46.9-178.3-166.8-90.4000112.2L6 H45 A46 F47 R51 Q52 L53 W84L6-F49 HydrophobicContact CB-CE2 4.39Å; L6-F49 HydrophobicContact CD1-CD2 3.82Å; L6-F49 HydrophobicContact CD1-CE2 4.13Å; L6-F49 HydrophobicContact CD1-CG 4.27Å; H45-F49 WeakPolarHBondContact O-CB 3.39Å; H45-F49 PolarHBondContact O-N 3.14Å; A46-F49 PolarHBondContact O-N 3.36Å; F47-F49 VanDerWaalsContact C-N 3.34Å; F47-F49 PolarHBondContact O-N 3.31Å; F49-R51 VanDerWaalsContact C-N 3.28Å; F49-R51 PolarHBondContact O-N 3.39Å; F49-Q52 WeakPolarHBondContact O-CA 3.42Å; F49-Q52 WeakPolarHBondContact O-CB 3.4Å; F49-Q52 PolarHBondContact O-N 2.99Å; F49-L53 HydrophobicContact CD1-CD1 3.79Å; F49-L53 HydrophobicContact CD1-CD2 4.46Å; F49-L53 HydrophobicContact CD1-CG 3.93Å; F49-L53 HydrophobicContact CE1-CD1 3.7Å; F49-L53 HydrophobicContact CE1-CD2 3.9Å; F49-L53 HydrophobicContact CE1-CG 3.83Å; F49-L53 HydrophobicContact CZ-CD2 4.4Å; F49-L53 WeakPolarHBondContact O-CG 3.39Å; F49-L53 PolarHBondContact O-N 3.39Å; F49-W84 HydrophobicContact CB-CZ2 4.24Å; F49-W84 AromaticContact CD1-CD1 3.55Å; F49-W84 AromaticContact CD1-NE1 2.95Å; F49-W84 AromaticContact CE1-CD1 3.81Å; F49-W84 AromaticContact CE1-NE1 3.41Å; F49-W84 HydrophobicContact CG-CZ2 4.49Å; F49-W84 AromaticContact CG-NE1 3.61Å
50I94.2Very high92.4Very high6 Ų670.3 Ų70.33%0.03132%0.316CS..Hα-helixtrans-63.4-37.4178.2-69.1164.1000110.7A46 Q52 L53 A54 W84 I100 P103 L104 V107A46-I50 HydrophobicContact CB-CD1 4.4Å; A46-I50 VanDerWaalsContact O-CB 3.32Å; A46-I50 WeakPolarHBondContact O-CB 3.18Å; A46-I50 WeakPolarHBondContact O-CD1 3.28Å; A46-I50 VanDerWaalsContact O-CG1 3.25Å; A46-I50 WeakPolarHBondContact O-CG1 3.42Å; A46-I50 PolarHBondContact O-N 3.45Å; I50-Q52 VanDerWaalsContact C-N 3.32Å; I50-Q52 PolarHBondContact O-N 3.45Å; I50-L53 PolarHBondContact O-N 3.38Å; I50-A54 WeakPolarHBondContact O-CB 3.14Å; I50-A54 PolarHBondContact O-N 3.38Å; I50-W84 HydrophobicContact CD1-CG 4.48Å; I50-W84 HydrophobicContact CG1-CG 4.42Å; I50-I100 HydrophobicContact CD1-CG2 3.23Å; I50-P103 HydrophobicContact CG2-CB 4.1Å; I50-L104 HydrophobicContact CD1-CB 4.04Å; I50-L104 HydrophobicContact CD1-CD1 3.96Å; I50-L104 HydrophobicContact CD1-CG 4.44Å; I50-L104 HydrophobicContact CG1-CD1 4.03Å; I50-V107 HydrophobicContact CG2-CG2 4.14Å
51R94.6Very high92.3Very high141 Ų14165 Ų6553%0.53231%0.305SS..Hα-helixtrans-59.6-43.3171.6-171.5179.571.8163.63.1111.6F47 F49 A54 I55F47-R51 VanDerWaalsContact O-CB 3.29Å; F47-R51 WeakPolarHBondContact O-CB 3.37Å; F47-R51 PolarHBondContact O-N 2.86Å; F49-R51 VanDerWaalsContact C-N 3.28Å; F49-R51 PolarHBondContact O-N 3.39Å; R51-A54 WeakPolarHBondContact O-CB 3.2Å; R51-A54 PolarHBondContact O-N 3.29Å; R51-I55 HydrophobicContact CG-CD1 4.28Å; R51-I55 WeakPolarHBondContact O-CG1 3.24Å; R51-I55 PolarHBondContact O-N 2.82Å
52Q92.7Very high92.2Very high105 Ų10567 Ų6749%0.49132%0.315SS..Hα-helixtrans-63.6-42.5176.3-173.259.638.300111.9L48 F49 I50 A54 I55 S56L48-Q52 PolarHBondContact O-N 2.84Å; L48-Q52 VanDerWaalsContact O-N 3.1Å; F49-Q52 WeakPolarHBondContact O-CA 3.42Å; F49-Q52 WeakPolarHBondContact O-CB 3.4Å; F49-Q52 PolarHBondContact O-N 2.99Å; I50-Q52 VanDerWaalsContact C-N 3.32Å; I50-Q52 PolarHBondContact O-N 3.45Å; Q52-A54 VanDerWaalsContact C-N 3.31Å; Q52-A54 PolarHBondContact O-N 3.22Å; Q52-I55 PolarHBondContact O-N 3.32Å; Q52-S56 PolarHBondContact O-N 3.03Å; Q52-S56 PolarHBondContact O-OG 2.98Å
53L93.4Very high91.5Very high10 Ų1068.7 Ų68.75%0.05233%0.327CS..Hα-helixtrans-59.3-43.1174.6-65.1177.8000111.7F49 I50 I55 S56 L57 F77 S80 V81 V107F49-L53 HydrophobicContact CD1-CD1 3.79Å; F49-L53 HydrophobicContact CD1-CD2 4.46Å; F49-L53 HydrophobicContact CD1-CG 3.93Å; F49-L53 HydrophobicContact CE1-CD1 3.7Å; F49-L53 HydrophobicContact CE1-CD2 3.9Å; F49-L53 HydrophobicContact CE1-CG 3.83Å; F49-L53 HydrophobicContact CZ-CD2 4.4Å; F49-L53 WeakPolarHBondContact O-CG 3.39Å; F49-L53 PolarHBondContact O-N 3.39Å; I50-L53 PolarHBondContact O-N 3.38Å; L53-I55 PolarHBondContact O-N 3.36Å; L53-S56 PolarHBondContact O-N 2.84Å; L53-L57 WeakPolarHBondContact O-CB 3.5Å; L53-L57 PolarHBondContact O-N 2.92Å; L53-F77 HydrophobicContact CB-CE2 4.3Å; L53-F77 HydrophobicContact CB-CZ 4.25Å; L53-F77 HydrophobicContact CD2-CD2 3.98Å; L53-F77 HydrophobicContact CD2-CE2 3.62Å; L53-F77 HydrophobicContact CD2-CZ 4.16Å; L53-S80 WeakPolarHBondContact CD2-OG 3.29Å; L53-V81 HydrophobicContact CD1-CG2 4Å; L53-V107 HydrophobicContact CB-CG1 3.93Å
54A94.5Very high90.5Very high40 Ų4075.6 Ų75.633%0.33136%0.358SS..Hα-helixtrans-62.1-42.1177.200000112I50 R51 Q52 L57 R58 V107I50-A54 WeakPolarHBondContact O-CB 3.14Å; I50-A54 PolarHBondContact O-N 3.38Å; R51-A54 WeakPolarHBondContact O-CB 3.2Å; R51-A54 PolarHBondContact O-N 3.29Å; Q52-A54 VanDerWaalsContact C-N 3.31Å; Q52-A54 PolarHBondContact O-N 3.22Å; A54-L57 PolarHBondContact O-N 2.93Å; A54-R58 WeakPolarHBondContact O-CB 3.04Å; A54-R58 PolarHBondContact O-N 3.36Å; A54-V107 HydrophobicContact CB-CG2 3.69Å
55I93.4Very high90.1Very high71 Ų7170.5 Ų70.536%0.36435%0.347SS..Hα-helixtrans-64.6-46.9176.3-67.1165000110.6R51 Q52 L53 L57 R58 N59R51-I55 HydrophobicContact CG-CD1 4.28Å; R51-I55 WeakPolarHBondContact O-CG1 3.24Å; R51-I55 PolarHBondContact O-N 2.82Å; Q52-I55 PolarHBondContact O-N 3.32Å; L53-I55 PolarHBondContact O-N 3.36Å; I55-L57 VanDerWaalsContact C-N 3.31Å; I55-L57 PolarHBondContact O-N 3.46Å; I55-R58 PolarHBondContact O-N 3.38Å; I55-N59 WeakPolarHBondContact O-CB 3.4Å; I55-N59 PolarHBondContact O-N 3.32Å; I55-N59 PolarHBondContact O-OD1 3.02Å
56S91.2Very high89.9Confident30 Ų3074.3 Ų74.321%0.2137%0.365CS..Hα-helixtrans-59.7-41.8177-68.60000112Q52 L53 N59 A60Q52-S56 PolarHBondContact O-N 3.03Å; Q52-S56 PolarHBondContact O-OG 2.98Å; L53-S56 PolarHBondContact O-N 2.84Å; S56-N59 PolarHBondContact O-N 3.4Å; S56-A60 WeakPolarHBondContact O-CB 3.19Å; S56-A60 PolarHBondContact O-N 2.69Å
57L93.4Very high89.5Confident16 Ų1682.6 Ų82.68%0.08440%0.401CS..Hα-helixtrans-64.7-45.5175-179.262.9000111.8L53 A54 I55 N59 A60 T61 V72 F77 Y114L53-L57 WeakPolarHBondContact O-CB 3.5Å; L53-L57 PolarHBondContact O-N 2.92Å; A54-L57 PolarHBondContact O-N 2.93Å; I55-L57 VanDerWaalsContact C-N 3.31Å; I55-L57 PolarHBondContact O-N 3.46Å; L57-N59 VanDerWaalsContact C-N 3.31Å; L57-N59 PolarHBondContact O-N 2.96Å; L57-A60 PolarHBondContact O-N 3.09Å; L57-A60 VanDerWaalsContact O-N 3.17Å; L57-T61 WeakPolarHBondContact O-CG2 3.12Å; L57-T61 PolarHBondContact O-N 3.02Å; L57-T61 PolarHBondContact O-OG1 2.74Å; L57-V72 HydrophobicContact CD1-CG1 3.89Å; L57-F77 HydrophobicContact CB-CZ 4.25Å; L57-Y114 HydrophobicContact CD1-CG 4.14Å
58R93.2Very high89.2Confident166 Ų16678.9 Ų78.963%0.62639%0.386SS*.Hα-helixtrans-61.6-39.4176.5-177.8179.3178.5-165.5-0.5111.8A54 I55 A60 T61 I62A54-R58 WeakPolarHBondContact O-CB 3.04Å; A54-R58 PolarHBondContact O-N 3.36Å; I55-R58 PolarHBondContact O-N 3.38Å; R58-A60 VanDerWaalsContact C-N 3.33Å; R58-T61 WeakPolarHBondContact CA-OG1 2.95Å; R58-T61 PolarHBondContact O-N 2.83Å; R58-T61 PolarHBondContact O-OG1 3.11Å; R58-I62 HydrophobicContact CG-CD1 3.55Å; R58-I62 HydrophobicContact CG-CG1 4.2Å; R58-I62 WeakPolarHBondContact O-CB 3.46Å; R58-I62 WeakPolarHBondContact O-CG1 3.22Å; R58-I62 PolarHBondContact O-N 3.27Å
59N91.8Very high88.9Confident79 Ų7975.1 Ų75.142%0.42237%0.369SS..Hα-helixtrans-65.1-40.2175.5-70.8-10.2000110.7I55 S56 L57 T61 S63I55-N59 WeakPolarHBondContact O-CB 3.4Å; I55-N59 PolarHBondContact O-N 3.32Å; I55-N59 PolarHBondContact O-OD1 3.02Å; S56-N59 PolarHBondContact O-N 3.4Å; L57-N59 VanDerWaalsContact C-N 3.31Å; L57-N59 PolarHBondContact O-N 2.96Å; N59-T61 VanDerWaalsContact C-N 3.3Å; N59-T61 PolarHBondContact O-N 3.36Å; N59-S63 CarbonylContact O-C 3.56Å; N59-S63 VanDerWaalsContact O-CA 3.26Å; N59-S63 WeakPolarHBondContact O-CA 3.39Å; N59-S63 WeakPolarHBondContact O-CB 3.42Å; N59-S63 PolarHBondContact O-N 2.96Å; N59-S63 PolarHBondContact O-OG 3.29Å
60A90.7Very high88.7Confident6 Ų678.6 Ų78.65%0.0538%0.384CS..Hα-helixtrans-70.4-23.917700000113.9S56 L57 R58 V72 Y114S56-A60 WeakPolarHBondContact O-CB 3.19Å; S56-A60 PolarHBondContact O-N 2.69Å; L57-A60 PolarHBondContact O-N 3.09Å; L57-A60 VanDerWaalsContact O-N 3.17Å; R58-A60 VanDerWaalsContact C-N 3.33Å; A60-V72 HydrophobicContact CB-CB 4.08Å; A60-V72 HydrophobicContact CB-CG2 3.54Å; A60-Y114 HydrophobicContact CB-CE1 4.27Å; A60-Y114 HydrophobicContact CB-CE2 4.2Å; A60-Y114 WeakPolarHBondContact O-CE2 3.3Å; A60-Y114 PolarHBondContact O-OH 3.43Å
61T88.9Confident88.5Confident80 Ų8083.6 Ų83.649%0.49141%0.41SS..Hα-helixtrans-85.6-42.2176.356.90000112.8L57 R58 N59 Y114L57-T61 WeakPolarHBondContact O-CG2 3.12Å; L57-T61 PolarHBondContact O-N 3.02Å; L57-T61 PolarHBondContact O-OG1 2.74Å; R58-T61 WeakPolarHBondContact CA-OG1 2.95Å; R58-T61 PolarHBondContact O-N 2.83Å; R58-T61 PolarHBondContact O-OG1 3.11Å; N59-T61 VanDerWaalsContact C-N 3.3Å; N59-T61 PolarHBondContact O-N 3.36Å; T61-Y114 HydrophobicContact CG2-CD2 3.61Å; T61-Y114 HydrophobicContact CG2-CE2 4.02Å
62I88.6Confident88.2Confident115 Ų11576.9 Ų76.959%0.5939%0.385SS*.Hα-helixtrans-88.2-50.4-176.7-60.8179.2000111.1R58R58-I62 HydrophobicContact CG-CD1 3.55Å; R58-I62 HydrophobicContact CG-CG1 4.2Å; R58-I62 WeakPolarHBondContact O-CB 3.46Å; R58-I62 WeakPolarHBondContact O-CG1 3.22Å; R58-I62 PolarHBondContact O-N 3.27Å
63S76.7Confident88Confident39 Ų3975.8 Ų75.827%0.27338%0.38SS..  trans-81.8122.2178.989.40000108.6N59 T65 S68N59-S63 CarbonylContact O-C 3.56Å; N59-S63 VanDerWaalsContact O-CA 3.26Å; N59-S63 WeakPolarHBondContact O-CA 3.39Å; N59-S63 WeakPolarHBondContact O-CB 3.42Å; N59-S63 PolarHBondContact O-N 2.96Å; N59-S63 PolarHBondContact O-OG 3.29Å; S63-T65 PolarHBondContact O-N 2.83Å; S63-T65 PolarHBondContact OG-OG1 2.68Å; S63-S68 PolarHBondContact OG-OG 3.34Å
64K71.1Confident87.7Confident215 Ų21577.2 Ų77.294%0.93539%0.391SS*.  trans-77.129.5173.8-63-179-178.1174.90111.9
65T83.7Confident87.1Confident71 Ų7180.3 Ų80.344%0.43639%0.394SS..  trans-79.2126.8-177.9600000109.7S63 K67 S68 A69S63-T65 PolarHBondContact O-N 2.83Å; S63-T65 PolarHBondContact OG-OG1 2.68Å; T65-K67 PolarHBondContact O-N 3.26Å; T65-S68 PolarHBondContact O-N 2.68Å; T65-S68 PolarHBondContact O-OG 2.71Å; T65-S68 WeakPolarHBondContact OG1-CB 3.32Å; T65-S68 PolarHBondContact OG1-OG 3.37Å; T65-A69 PolarHBondContact O-N 3.23Å; T65-A69 VanDerWaalsContact O-N 3.16Å
66E84.8Confident86.5Confident129 Ų12979.7 Ų79.760%0.60339%0.39SS*.Hα-helixtrans-58.9-34.8-178.5-166.1-173161.100112.2A69 K70E66-A69 PolarHBondContact O-N 3.47Å; E66-K70 HydrophobicContact CG-CD 4.13Å; E66-K70 HydrophobicContact CG-CG 4.46Å; E66-K70 WeakPolarHBondContact O-CB 3.2Å; E66-K70 WeakPolarHBondContact O-CG 3.23Å; E66-K70 PolarHBondContact O-N 3.23Å; E66-K70 WeakPolarHBondContact OE1-CE 3.34Å; E66-K70 IonicContact OE1-NZ 3.96Å; E66-K70 PolarHBondContact OE1-NZ 2.92Å
67K85.2Confident86.4Confident176 Ų17679.1 Ų79.177%0.76538%0.383SS*.Hα-helixtrans-61.6-47.1178-65.4-176.1-179.3179.30112.3T65 L71T65-K67 PolarHBondContact O-N 3.26Å; K67-L71 WeakPolarHBondContact O-CG 3.43Å; K67-L71 PolarHBondContact O-N 2.78Å; K67-L71 VanDerWaalsContact O-N 3.14Å
68S86.2Confident86.1Confident15 Ų1580.4 Ų80.411%0.10539%0.392CS..Hα-helixtrans-70.5-37.2179.966.60000112S63 T65 L71 V72S63-S68 PolarHBondContact OG-OG 3.34Å; T65-S68 PolarHBondContact O-N 2.68Å; T65-S68 PolarHBondContact O-OG 2.71Å; T65-S68 WeakPolarHBondContact OG1-CB 3.32Å; T65-S68 PolarHBondContact OG1-OG 3.37Å; S68-L71 PolarHBondContact O-N 3.39Å; S68-V72 PolarHBondContact O-N 3.49Å
69A87.6Confident85.7Confident17 Ų1775.7 Ų75.714%0.1438%0.377CS..Hα-helixtrans-62.2-47174.900000111.7T65 E66 L71 V72 Q73T65-A69 PolarHBondContact O-N 3.23Å; T65-A69 VanDerWaalsContact O-N 3.16Å; E66-A69 PolarHBondContact O-N 3.47Å; A69-L71 VanDerWaalsContact C-N 3.33Å; A69-L71 PolarHBondContact O-N 2.89Å; A69-V72 PolarHBondContact O-N 2.91Å; A69-Q73 WeakPolarHBondContact O-CB 3.33Å; A69-Q73 VanDerWaalsContact O-CG 3.25Å; A69-Q73 WeakPolarHBondContact O-CG 3.46Å; A69-Q73 PolarHBondContact O-N 2.94Å
70K88.2Confident85.6Confident123 Ų12372.5 Ų72.554%0.53536%0.361SS..Hα-helixtrans-59.8-40.8176.6-79.7176.3167.6171.70112.2E66 Q73 S74E66-K70 HydrophobicContact CG-CD 4.13Å; E66-K70 HydrophobicContact CG-CG 4.46Å; E66-K70 WeakPolarHBondContact O-CB 3.2Å; E66-K70 WeakPolarHBondContact O-CG 3.23Å; E66-K70 PolarHBondContact O-N 3.23Å; E66-K70 WeakPolarHBondContact OE1-CE 3.34Å; E66-K70 IonicContact OE1-NZ 3.96Å; E66-K70 PolarHBondContact OE1-NZ 2.92Å; K70-Q73 PolarHBondContact O-N 2.77Å; K70-S74 WeakPolarHBondContact O-CB 3.33Å; K70-S74 PolarHBondContact O-N 3.46Å
71L88.5Confident85.6Confident111 Ų11172.6 Ų72.658%0.58136%0.361SS*.Hα-helixtrans-60.3-46.5177.3-74.9169.3000112.4K67 S68 A69 S74 F77K67-L71 WeakPolarHBondContact O-CG 3.43Å; K67-L71 PolarHBondContact O-N 2.78Å; K67-L71 VanDerWaalsContact O-N 3.14Å; S68-L71 PolarHBondContact O-N 3.39Å; A69-L71 VanDerWaalsContact C-N 3.33Å; A69-L71 PolarHBondContact O-N 2.89Å; L71-S74 WeakPolarHBondContact O-CB 3.45Å; L71-S74 PolarHBondContact O-N 3.27Å; L71-F77 VanDerWaalsContact O-CB 3.26Å; L71-F77 WeakPolarHBondContact O-CB 3.36Å
72V89.3Confident85.6Confident0 Ų072.2 Ų72.20%036%0.355CS..Hα-helixtrans-72.9-33.4-179.51760000112.1L57 A60 S68 A69 S74 F77 Y114L57-V72 HydrophobicContact CD1-CG1 3.89Å; A60-V72 HydrophobicContact CB-CB 4.08Å; A60-V72 HydrophobicContact CB-CG2 3.54Å; S68-V72 PolarHBondContact O-N 3.49Å; A69-V72 PolarHBondContact O-N 2.91Å; V72-S74 PolarHBondContact O-N 2.85Å; V72-F77 HydrophobicContact CB-CD1 4.45Å; V72-F77 HydrophobicContact CG1-CD1 4.02Å; V72-F77 HydrophobicContact CG1-CE1 3.97Å; V72-F77 HydrophobicContact CG1-CZ 4.5Å; V72-F77 HydrophobicContact CG2-CD2 4.35Å; V72-F77 HydrophobicContact CG2-CE1 4.46Å; V72-F77 HydrophobicContact CG2-CE2 4.17Å; V72-F77 HydrophobicContact CG2-CZ 4.24Å; V72-Y114 HydrophobicContact CB-CD1 4.34Å; V72-Y114 HydrophobicContact CB-CE1 4.09Å; V72-Y114 HydrophobicContact CG1-CD1 3.54Å; V72-Y114 HydrophobicContact CG1-CE1 3.8Å; V72-Y114 HydrophobicContact CG1-CG 4.41Å
73Q87.4Confident85.6Confident82 Ų8267.4 Ų67.438%0.38333%0.331SS..Hα-helixtrans-71.2-18.8173-70.1174.330.400112.9A69 K70 W75 Y114 L115A69-Q73 WeakPolarHBondContact O-CB 3.33Å; A69-Q73 VanDerWaalsContact O-CG 3.25Å; A69-Q73 WeakPolarHBondContact O-CG 3.46Å; A69-Q73 PolarHBondContact O-N 2.94Å; K70-Q73 PolarHBondContact O-N 2.77Å; Q73-W75 PolarHBondContact O-N 3.45Å; Q73-Y114 HydrophobicContact CG-CE1 4.45Å; Q73-L115 HydrophobicContact CB-CD2 4.36Å; Q73-L115 HydrophobicContact CG-CD2 4.03Å
74S86.9Confident86.3Confident41 Ų4165.6 Ų65.629%0.28732%0.318SS..SBendtrans-65.2135.8179.1-140.80000110.6K70 L71 V72 Q76 F77 V78K70-S74 WeakPolarHBondContact O-CB 3.33Å; K70-S74 PolarHBondContact O-N 3.46Å; L71-S74 WeakPolarHBondContact O-CB 3.45Å; L71-S74 PolarHBondContact O-N 3.27Å; V72-S74 PolarHBondContact O-N 2.85Å; S74-Q76 VanDerWaalsContact CB-OE1 3.26Å; S74-Q76 PolarHBondContact O-N 3.39Å; S74-Q76 VanDerWaalsContact O-N 3.1Å; S74-Q76 PolarHBondContact OG-OE1 3.31Å; S74-F77 WeakPolarHBondContact O-CB 3.37Å; S74-F77 PolarHBondContact O-N 3.1Å; S74-V78 PolarHBondContact O-N 3.36Å
75W82.3Confident87.3Confident104 Ų10457.5 Ų57.539%0.39429%0.288SS..Hα-helixtrans-58.6-27.5179.372-90000112.1T13 Y16 Q73 F77 V78 Q79T13-W75 HydrophobicContact CG2-CH2 3.46Å; T13-W75 VanDerWaalsContact CG2-CH2 3.46Å; T13-W75 HydrophobicContact CG2-CZ2 4.33Å; T13-W75 HydrophobicContact CG2-CZ3 3.82Å; T13-W75 WeakPolarHBondContact O-CH2 3.42Å; T13-W75 VanDerWaalsContact O-CZ2 3.24Å; T13-W75 WeakPolarHBondContact O-CZ2 3.14Å; Y16-W75 HydrophobicContact CD1-CH2 4.24Å; Y16-W75 HydrophobicContact CD1-CZ3 4.48Å; Y16-W75 HydrophobicContact CG-CH2 4.31Å; Q73-W75 PolarHBondContact O-N 3.45Å; W75-F77 VanDerWaalsContact C-N 3.33Å; W75-F77 PolarHBondContact O-N 2.92Å; W75-V78 PolarHBondContact O-N 3.04Å; W75-Q79 HydrophobicContact CE3-CB 4.42Å; W75-Q79 HydrophobicContact CE3-CG 3.51Å; W75-Q79 HydrophobicContact CZ3-CB 4.47Å; W75-Q79 HydrophobicContact CZ3-CG 3.71Å; W75-Q79 WeakPolarHBondContact O-CG 3.46Å; W75-Q79 PolarHBondContact O-N 2.9Å
76Q82Confident87.6Confident59 Ų5959 Ų5928%0.27629%0.285SS..Hα-helixtrans-62.5-38175.5-60.591.8-2700112.4S74 Q79 S80S74-Q76 VanDerWaalsContact CB-OE1 3.26Å; S74-Q76 PolarHBondContact O-N 3.39Å; S74-Q76 VanDerWaalsContact O-N 3.1Å; S74-Q76 PolarHBondContact OG-OE1 3.31Å; Q76-Q79 PolarHBondContact O-N 3.49Å; Q76-S80 WeakPolarHBondContact O-CB 3.48Å; Q76-S80 PolarHBondContact O-N 3.45Å
77F88.2Confident87.9Confident17 Ų1752.8 Ų52.88%0.07526%0.257CS..Hα-helixtrans-66.1-42.1176.4-174.5-86.1000110.8L53 L57 L71 V72 S74 W75 Q79 S80 V81 C111L53-F77 HydrophobicContact CB-CE2 4.3Å; L53-F77 HydrophobicContact CB-CZ 4.25Å; L53-F77 HydrophobicContact CD2-CD2 3.98Å; L53-F77 HydrophobicContact CD2-CE2 3.62Å; L53-F77 HydrophobicContact CD2-CZ 4.16Å; L57-F77 HydrophobicContact CB-CZ 4.25Å; L71-F77 VanDerWaalsContact O-CB 3.26Å; L71-F77 WeakPolarHBondContact O-CB 3.36Å; V72-F77 HydrophobicContact CB-CD1 4.45Å; V72-F77 HydrophobicContact CG1-CD1 4.02Å; V72-F77 HydrophobicContact CG1-CE1 3.97Å; V72-F77 HydrophobicContact CG1-CZ 4.5Å; V72-F77 HydrophobicContact CG2-CD2 4.35Å; V72-F77 HydrophobicContact CG2-CE1 4.46Å; V72-F77 HydrophobicContact CG2-CE2 4.17Å; V72-F77 HydrophobicContact CG2-CZ 4.24Å; S74-F77 WeakPolarHBondContact O-CB 3.37Å; S74-F77 PolarHBondContact O-N 3.1Å; W75-F77 VanDerWaalsContact C-N 3.33Å; W75-F77 PolarHBondContact O-N 2.92Å; F77-Q79 PolarHBondContact O-N 3.35Å; F77-S80 PolarHBondContact O-N 3.03Å; F77-S80 PolarHBondContact O-OG 2.9Å; F77-V81 HydrophobicContact CD1-CG2 4.44Å; F77-V81 HydrophobicContact CE1-CG2 4.12Å; F77-V81 WeakPolarHBondContact O-CG2 3.48Å; F77-V81 PolarHBondContact O-N 3.27Å; F77-C111 HydrophobicContact CE1-CB 4.11Å
78V87.3Confident88.1Confident43 Ų4345.4 Ų45.426%0.26123%0.225SC..Hα-helixtrans-63.6-42.8175.4-178.90000111S74 W75 S80 V81 L82 L115S74-V78 PolarHBondContact O-N 3.36Å; W75-V78 PolarHBondContact O-N 3.04Å; V78-S80 VanDerWaalsContact C-N 3.33Å; V78-S80 PolarHBondContact O-N 3.46Å; V78-V81 PolarHBondContact O-N 3.48Å; V78-L82 HydrophobicContact CG1-CD1 4.04Å; V78-L82 HydrophobicContact CG1-CG 4.4Å; V78-L82 VanDerWaalsContact O-CG 3.31Å; V78-L82 WeakPolarHBondContact O-CG 3.43Å; V78-L82 PolarHBondContact O-N 2.71Å; V78-L115 HydrophobicContact CG2-CD1 3.59Å
79Q84.5Confident88.4Confident68 Ų6847.7 Ų47.732%0.31825%0.245SC..Hα-helixtrans-65.8-35.3178.5-70.9-58.3-35.200113W75 Q76 F77 V81 L82 L83W75-Q79 HydrophobicContact CE3-CB 4.42Å; W75-Q79 HydrophobicContact CE3-CG 3.51Å; W75-Q79 HydrophobicContact CZ3-CB 4.47Å; W75-Q79 HydrophobicContact CZ3-CG 3.71Å; W75-Q79 WeakPolarHBondContact O-CG 3.46Å; W75-Q79 PolarHBondContact O-N 2.9Å; Q76-Q79 PolarHBondContact O-N 3.49Å; F77-Q79 PolarHBondContact O-N 3.35Å; Q79-V81 VanDerWaalsContact C-N 3.35Å; Q79-L82 PolarHBondContact O-N 3.21Å; Q79-L83 WeakPolarHBondContact O-CB 3.24Å; Q79-L83 PolarHBondContact O-N 3.35Å
80S88.6Confident88.4Confident11 Ų1149.2 Ų49.28%0.07725%0.253CS..Hα-helixtrans-68-36.717875.20000111.8L53 Q76 F77 V78 W84L53-S80 WeakPolarHBondContact CD2-OG 3.29Å; Q76-S80 WeakPolarHBondContact O-CB 3.48Å; Q76-S80 PolarHBondContact O-N 3.45Å; F77-S80 PolarHBondContact O-N 3.03Å; F77-S80 PolarHBondContact O-OG 2.9Å; V78-S80 VanDerWaalsContact C-N 3.33Å; V78-S80 PolarHBondContact O-N 3.46Å; S80-W84 VanDerWaalsContact O-CD1 3.24Å; S80-W84 PolarHBondContact O-N 2.81Å
81V91.6Very high88.3Confident8 Ų843.4 Ų43.45%0.04823%0.228CC..Hα-helixtrans-63.4-48.9170175.10000110.6L53 F77 V78 Q79 L83 W84 C85 V107 A108L53-V81 HydrophobicContact CD1-CG2 4Å; F77-V81 HydrophobicContact CD1-CG2 4.44Å; F77-V81 HydrophobicContact CE1-CG2 4.12Å; F77-V81 WeakPolarHBondContact O-CG2 3.48Å; F77-V81 PolarHBondContact O-N 3.27Å; V78-V81 PolarHBondContact O-N 3.48Å; Q79-V81 VanDerWaalsContact C-N 3.35Å; V81-L83 VanDerWaalsContact C-N 3.3Å; V81-L83 PolarHBondContact O-N 3.38Å; V81-W84 PolarHBondContact O-N 3.37Å; V81-C85 PolarHBondContact O-N 2.98Å; V81-C85 PolarHBondContact O-SG 3.11Å; V81-C85 VanDerWaalsContact O-SG 3.36Å; V81-V107 HydrophobicContact CG2-CG1 4.25Å; V81-A108 HydrophobicContact CG1-CB 3.63Å
82L89.7Confident88.1Confident72 Ų7241 Ų4138%0.37722%0.22SC..Hα-helixtrans-62.4-34.8-179.4-71.2174.2000113.1V78 Q79 C85 R86V78-L82 HydrophobicContact CG1-CD1 4.04Å; V78-L82 HydrophobicContact CG1-CG 4.4Å; V78-L82 VanDerWaalsContact O-CG 3.31Å; V78-L82 WeakPolarHBondContact O-CG 3.43Å; V78-L82 PolarHBondContact O-N 2.71Å; Q79-L82 PolarHBondContact O-N 3.21Å; L82-C85 PolarHBondContact O-N 3.38Å; L82-R86 PolarHBondContact O-N 3.04Å
83L88.1Confident88.1Confident14 Ų1447.9 Ų47.97%0.07326%0.257CS..Hα-helixtrans-57.1-52.4174.3175.768.9000110.5L6 R28 F31 Q79 V81 C85 R86 V87L6-L83 HydrophobicContact CD2-CD2 3.39Å; R28-L83 HydrophobicContact CB-CD1 4.02Å; R28-L83 HydrophobicContact CG-CD1 3.88Å; F31-L83 HydrophobicContact CB-CD1 4.42Å; F31-L83 HydrophobicContact CD1-CD1 3.69Å; F31-L83 HydrophobicContact CD1-CD2 4.27Å; F31-L83 HydrophobicContact CD1-CG 4.14Å; F31-L83 HydrophobicContact CE1-CD1 4.27Å; F31-L83 HydrophobicContact CE1-CD2 4.08Å; F31-L83 HydrophobicContact CE1-CG 4.22Å; F31-L83 HydrophobicContact CG-CD1 4.25Å; Q79-L83 WeakPolarHBondContact O-CB 3.24Å; Q79-L83 PolarHBondContact O-N 3.35Å; V81-L83 VanDerWaalsContact C-N 3.3Å; V81-L83 PolarHBondContact O-N 3.38Å; L83-C85 VanDerWaalsContact C-N 3.31Å; L83-C85 PolarHBondContact O-N 2.92Å; L83-R86 WeakPolarHBondContact O-CB 3.36Å; L83-R86 PolarHBondContact O-N 3.38Å; L83-R86 VanDerWaalsContact O-N 3.12Å; L83-V87 WeakPolarHBondContact O-CG2 3.45Å; L83-V87 PolarHBondContact O-N 3.38Å
84W91.7Very high88.2Confident1 Ų147 Ų470%0.00425%0.253CS..Hα-helixtrans-67.6-32.4179.5-72.5110.8000112.6L6 F31 T42 A46 F49 I50 S80 V81 R86 V87 L88 L104L6-W84 HydrophobicContact CD1-CZ2 3.89Å; F31-W84 HydrophobicContact CE1-CH2 4.47Å; T42-W84 HydrophobicContact CG2-CZ3 4.08Å; A46-W84 VanDerWaalsContact CA-CH2 3.47Å; A46-W84 HydrophobicContact CB-CD2 4.34Å; A46-W84 HydrophobicContact CB-CE3 3.75Å; A46-W84 HydrophobicContact CB-CH2 3.54Å; A46-W84 HydrophobicContact CB-CZ2 4.12Å; A46-W84 HydrophobicContact CB-CZ3 3.35Å; F49-W84 HydrophobicContact CB-CZ2 4.24Å; F49-W84 AromaticContact CD1-CD1 3.55Å; F49-W84 AromaticContact CD1-NE1 2.95Å; F49-W84 AromaticContact CE1-CD1 3.81Å; F49-W84 AromaticContact CE1-NE1 3.41Å; F49-W84 HydrophobicContact CG-CZ2 4.49Å; F49-W84 AromaticContact CG-NE1 3.61Å; I50-W84 HydrophobicContact CD1-CG 4.48Å; I50-W84 HydrophobicContact CG1-CG 4.42Å; S80-W84 VanDerWaalsContact O-CD1 3.24Å; S80-W84 PolarHBondContact O-N 2.81Å; V81-W84 PolarHBondContact O-N 3.37Å; W84-R86 VanDerWaalsContact C-N 3.27Å; W84-R86 PolarHBondContact O-N 2.85Å; W84-V87 HydrophobicContact CE3-CB 4.09Å; W84-V87 HydrophobicContact CE3-CG1 4.21Å; W84-V87 HydrophobicContact CE3-CG2 4.15Å; W84-V87 HydrophobicContact CZ3-CB 4.5Å; W84-V87 HydrophobicContact CZ3-CG1 4.21Å; W84-V87 HydrophobicContact CZ3-CG2 4.41Å; W84-V87 PolarHBondContact O-N 2.85Å; W84-L88 WeakPolarHBondContact O-CG 3.49Å; W84-L88 PolarHBondContact O-N 3.41Å; W84-L104 VanDerWaalsContact C-CD2 3.42Å; W84-L104 HydrophobicContact CB-CD1 3.72Å; W84-L104 HydrophobicContact CB-CD2 3.79Å; W84-L104 HydrophobicContact CB-CG 4.43Å; W84-L104 WeakPolarHBondContact O-CD2 3.47Å
85C92.1Very high88.4Confident45 Ų4551 Ų5130%0.30427%0.269SS..Hα-helixtrans-62.5-39.8172.7-68.50000110.7V81 L82 L83 L88 A89 L104V81-C85 PolarHBondContact O-N 2.98Å; V81-C85 PolarHBondContact O-SG 3.11Å; V81-C85 VanDerWaalsContact O-SG 3.36Å; L82-C85 PolarHBondContact O-N 3.38Å; L83-C85 VanDerWaalsContact C-N 3.31Å; L83-C85 PolarHBondContact O-N 2.92Å; C85-L88 PolarHBondContact O-N 3.34Å; C85-A89 WeakPolarHBondContact O-CB 3.32Å; C85-A89 PolarHBondContact O-N 3.24Å; C85-L104 HydrophobicContact CB-CD2 4.45Å
86R89.8Confident89Confident102 Ų10248.7 Ų48.739%0.38527%0.267SS..Hα-helixtrans-65.4-45.9174.9-177.554.4164.6175.4-0.9111.7D29 L82 L83 W84 L88 A89 T90D29-R86 IonicContact OD1-CZ 3.18Å; D29-R86 IonicContact OD1-NE 2.73Å; D29-R86 PolarHBondContact OD1-NE 2.85Å; D29-R86 IonicContact OD1-NH2 2.78Å; D29-R86 PolarHBondContact OD1-NH2 3.26Å; D29-R86 IonicContact OD2-NH2 3.63Å; L82-R86 PolarHBondContact O-N 3.04Å; L83-R86 WeakPolarHBondContact O-CB 3.36Å; L83-R86 PolarHBondContact O-N 3.38Å; L83-R86 VanDerWaalsContact O-N 3.12Å; W84-R86 VanDerWaalsContact C-N 3.27Å; W84-R86 PolarHBondContact O-N 2.85Å; R86-L88 VanDerWaalsContact C-N 3.34Å; R86-L88 PolarHBondContact O-N 2.88Å; R86-A89 WeakPolarHBondContact O-CB 3.25Å; R86-A89 PolarHBondContact O-N 3.11Å; R86-A89 VanDerWaalsContact O-N 3.14Å; R86-T90 PolarHBondContact O-N 3.36Å; R86-T90 PolarHBondContact O-OG1 3.12Å; R86-T90 VanDerWaalsContact O-OG1 3.08Å
87V90.2Very high89.4Confident0 Ų045.9 Ų45.90%025%0.254CS..Hα-helixtrans-56.6-47.6175.6176.20000110.9F31 A32 C35 T42 L83 W84 A89 T90 C91F31-V87 HydrophobicContact CD1-CG2 3.74Å; F31-V87 HydrophobicContact CE1-CG2 3.83Å; A32-V87 HydrophobicContact CB-CG2 4.23Å; C35-V87 HydrophobicContact CB-CG1 3.8Å; T42-V87 HydrophobicContact CG2-CG1 4.15Å; L83-V87 WeakPolarHBondContact O-CG2 3.45Å; L83-V87 PolarHBondContact O-N 3.38Å; W84-V87 HydrophobicContact CE3-CB 4.09Å; W84-V87 HydrophobicContact CE3-CG1 4.21Å; W84-V87 HydrophobicContact CE3-CG2 4.15Å; W84-V87 HydrophobicContact CZ3-CB 4.5Å; W84-V87 HydrophobicContact CZ3-CG1 4.21Å; W84-V87 HydrophobicContact CZ3-CG2 4.41Å; W84-V87 PolarHBondContact O-N 2.85Å; V87-A89 VanDerWaalsContact C-N 3.31Å; V87-A89 PolarHBondContact O-N 3.44Å; V87-T90 PolarHBondContact O-N 3.43Å; V87-C91 WeakPolarHBondContact O-CB 3.35Å; V87-C91 PolarHBondContact O-N 3.26Å; V87-C91 PolarHBondContact O-SG 2.62Å
88L90.8Very high89.6Confident20 Ų2049.9 Ų49.911%0.10527%0.273CS..Hα-helixtrans-68-29.6178.6-66.7-168.2000113.5W84 C85 R86 C91 S92 L97 I100 R101 L104W84-L88 WeakPolarHBondContact O-CG 3.49Å; W84-L88 PolarHBondContact O-N 3.41Å; C85-L88 PolarHBondContact O-N 3.34Å; R86-L88 VanDerWaalsContact C-N 3.34Å; R86-L88 PolarHBondContact O-N 2.88Å; L88-C91 CarbonylContact O-C 3.51Å; L88-S92 PolarHBondContact O-N 3.34Å; L88-L97 HydrophobicContact CD2-CB 4.05Å; L88-L97 HydrophobicContact CD2-CD1 4.49Å; L88-I100 HydrophobicContact CD1-CG2 4.31Å; L88-R101 HydrophobicContact CD1-CB 4.37Å; L88-R101 HydrophobicContact CD1-CG 3.97Å; L88-L104 HydrophobicContact CD1-CB 4.04Å; L88-L104 HydrophobicContact CD1-CD2 3.36Å; L88-L104 HydrophobicContact CD1-CG 4.33Å; L88-L104 HydrophobicContact CG-CD2 3.87Å
89A91.1Very high90Very high63 Ų6351.5 Ų51.552%0.52128%0.284SS..Hα-helixtrans-69.2-39.8174.600000111.7C85 R86 V87C85-A89 WeakPolarHBondContact O-CB 3.32Å; C85-A89 PolarHBondContact O-N 3.24Å; R86-A89 WeakPolarHBondContact O-CB 3.25Å; R86-A89 PolarHBondContact O-N 3.11Å; R86-A89 VanDerWaalsContact O-N 3.14Å; V87-A89 VanDerWaalsContact C-N 3.31Å; V87-A89 PolarHBondContact O-N 3.44Å
90T88.7Confident90.4Very high49 Ų4948.4 Ų48.430%0.30127%0.27SS..Hα-helixtrans-72.1-37175.8-49.30000111.4A32 L36 R86 V87 S92A32-T90 HydrophobicContact CB-CG2 4.32Å; L36-T90 HydrophobicContact CD1-CG2 3.8Å; L36-T90 HydrophobicContact CG-CG2 4.41Å; R86-T90 PolarHBondContact O-N 3.36Å; R86-T90 PolarHBondContact O-OG1 3.12Å; R86-T90 VanDerWaalsContact O-OG1 3.08Å; V87-T90 PolarHBondContact O-N 3.43Å; T90-S92 VanDerWaalsContact C-N 3.29Å; T90-S92 PolarHBondContact O-N 2.7Å
91C84.9Confident90.6Very high2 Ų251.6 Ų51.61%0.01428%0.28CS..THydrogen-bonded Turntrans-91.537.9178.6-49.10000113.2L36 V87 L88 N93 E94 L97L36-C91 HydrophobicContact CD2-CB 3.94Å; L36-C91 WeakPolarHBondContact CD2-SG 3.36Å; V87-C91 WeakPolarHBondContact O-CB 3.35Å; V87-C91 PolarHBondContact O-N 3.26Å; V87-C91 PolarHBondContact O-SG 2.62Å; L88-C91 CarbonylContact O-C 3.51Å; C91-N93 PolarHBondContact O-N 3.06Å; C91-N93 VanDerWaalsContact O-N 3.15Å; C91-E94 HydrophobicContact CB-CB 4.22Å; C91-E94 HydrophobicContact CB-CG 4.07Å; C91-E94 PolarHBondContact O-N 2.89Å; C91-L97 HydrophobicContact CB-CD1 3.42Å; C91-L97 VanDerWaalsContact CB-CD1 3.42Å
92S85.8Confident90.8Very high59 Ų5959.5 Ų59.541%0.41331%0.31SS..THydrogen-bonded Turntrans-61.7-24-174.963.20000114L88 T90 R101L88-S92 PolarHBondContact O-N 3.34Å; T90-S92 VanDerWaalsContact C-N 3.29Å; T90-S92 PolarHBondContact O-N 2.7Å; S92-R101 VanDerWaalsContact C-NH2 3.34Å; S92-R101 PolarHBondContact O-NH2 3.03Å
93N87.5Confident91.1Very high145 Ų14558.6 Ų58.678%0.77531%0.309SS*.THydrogen-bonded Turntrans-94.5-10-176.6-59.5-17.2000112.8C91 I95C91-N93 PolarHBondContact O-N 3.06Å; C91-N93 VanDerWaalsContact O-N 3.15Å; N93-I95 PolarHBondContact O-N 2.87Å
94E90.4Very high91.5Very high64 Ų6458.1 Ų58.130%0.29931%0.306SS..  trans-79.7111.8-175.2-71.1-58.713900112.3L36 P39 C91 V96 L97L36-E94 HydrophobicContact CD2-CG 4.47Å; P39-E94 HydrophobicContact CB-CG 4.34Å; P39-E94 HydrophobicContact CG-CG 4.11Å; P39-E94 WeakPolarHBondContact CG-OE2 3.4Å; C91-E94 HydrophobicContact CB-CB 4.22Å; C91-E94 HydrophobicContact CB-CG 4.07Å; C91-E94 PolarHBondContact O-N 2.89Å; E94-V96 VanDerWaalsContact C-N 3.27Å; E94-V96 PolarHBondContact O-N 3.4Å; E94-L97 HydrophobicContact CB-CB 4.36Å; E94-L97 HydrophobicContact CB-CD1 4.18Å; E94-L97 HydrophobicContact CB-CG 4.36Å; E94-L97 PolarHBondContact O-N 3.17Å
95I91.9Very high91.6Very high125 Ų12563.4 Ų63.464%0.64133%0.333SS*.G310 helixtrans-62.1-37.4178.3-60.1164.7000110.6N93 L97 Q98N93-I95 PolarHBondContact O-N 2.87Å; I95-L97 PolarHBondContact O-N 3.34Å; I95-Q98 WeakPolarHBondContact O-CB 3.41Å; I95-Q98 PolarHBondContact O-N 3.07Å; I95-Q98 VanDerWaalsContact O-N 3.1Å
96V93.3Very high91.8Very high56 Ų5666.6 Ų66.634%0.33934%0.344SS..G310 helixtrans-59.2-32.6-179.2-175.30000111.8P39 R40 Y43 E94 P99P39-V96 HydrophobicContact CB-CB 4.36Å; R40-V96 HydrophobicContact CG-CG1 4.36Å; Y43-V96 HydrophobicContact CD2-CG1 4.48Å; Y43-V96 WeakPolarHBondContact CD2-O 3.49Å; Y43-V96 WeakPolarHBondContact CE2-O 3.33Å; Y43-V96 HydrophobicContact CG-CG1 4.4Å; E94-V96 VanDerWaalsContact C-N 3.27Å; E94-V96 PolarHBondContact O-N 3.4Å; V96-P99 WeakPolarHBondContact O-CD 3.23Å
97L91Very high92.1Very high0 Ų062 Ų620%033%0.327CS..G310 helixtrans-91.2-7-177.9-66.6173.6000113.6T42 Y43 L88 C91 E94 I95 P99 I100T42-L97 HydrophobicContact CG2-CD1 4.38Å; T42-L97 HydrophobicContact CG2-CD2 4.05Å; Y43-L97 HydrophobicContact CD2-CD2 4.38Å; L88-L97 HydrophobicContact CD2-CB 4.05Å; L88-L97 HydrophobicContact CD2-CD1 4.49Å; C91-L97 HydrophobicContact CB-CD1 3.42Å; C91-L97 VanDerWaalsContact CB-CD1 3.42Å; E94-L97 HydrophobicContact CB-CB 4.36Å; E94-L97 HydrophobicContact CB-CD1 4.18Å; E94-L97 HydrophobicContact CB-CG 4.36Å; E94-L97 PolarHBondContact O-N 3.17Å; I95-L97 PolarHBondContact O-N 3.34Å; L97-P99 VanDerWaalsContact C-CD 3.45Å; L97-I100 HydrophobicContact CD2-CD1 4.36Å; L97-I100 PolarHBondContact O-N 3.29Å; L97-I100 VanDerWaalsContact O-N 3.15Å
98Q92.6Very high92.3Very high101 Ų10163.3 Ų63.347%0.47234%0.337SS..Hα-helixtrans-54.2-43.5178.1-72.3-175.7-2.900113.7I95 I100 R101I95-Q98 WeakPolarHBondContact O-CB 3.41Å; I95-Q98 PolarHBondContact O-N 3.07Å; I95-Q98 VanDerWaalsContact O-N 3.1Å; Q98-I100 PolarHBondContact O-N 3.36Å; Q98-I100 VanDerWaalsContact O-N 3.12Å; Q98-R101 WeakPolarHBondContact O-CB 3.49Å; Q98-R101 WeakPolarHBondContact O-CG 3.15Å; Q98-R101 PolarHBondContact O-N 3.48Å; Q98-R101 VanDerWaalsContact O-N 3.11Å
99P94.9Very high92.4Very high77 Ų7768.1 Ų68.150%0.536%0.358SS..Hα-helixtrans-64.4-21-178-21.132.9000113.9Y43 V96 L97 P103Y43-P99 HydrophobicContact CE2-CB 4.08Å; Y43-P99 HydrophobicContact CE2-CG 4.18Å; V96-P99 WeakPolarHBondContact O-CD 3.23Å; L97-P99 VanDerWaalsContact C-CD 3.45Å; P99-P103 WeakPolarHBondContact O-CD 2.99Å
100I93.6Very high92.5Very high3 Ų365.6 Ų65.62%0.01534%0.338CS..Hα-helixtrans-84.1-17.7-179.5-68.5175.4000112.2Y43 A46 F47 I50 L88 L97 Q98 Y102 P103 L104Y43-I100 HydrophobicContact CD1-CD1 4.44Å; Y43-I100 HydrophobicContact CD2-CD1 3.17Å; Y43-I100 HydrophobicContact CD2-CG1 3.67Å; Y43-I100 HydrophobicContact CE2-CD1 3.52Å; Y43-I100 HydrophobicContact CE2-CG1 3.48Å; Y43-I100 VanDerWaalsContact CE2-CG1 3.48Å; Y43-I100 HydrophobicContact CG-CD1 3.7Å; Y43-I100 WeakPolarHBondContact O-CD1 3.32Å; A46-I100 HydrophobicContact CB-CD1 3.69Å; A46-I100 HydrophobicContact CB-CG2 4.44Å; F47-I100 HydrophobicContact CB-CD1 4.31Å; I50-I100 HydrophobicContact CD1-CG2 3.23Å; L88-I100 HydrophobicContact CD1-CG2 4.31Å; L97-I100 HydrophobicContact CD2-CD1 4.36Å; L97-I100 PolarHBondContact O-N 3.29Å; L97-I100 VanDerWaalsContact O-N 3.15Å; Q98-I100 PolarHBondContact O-N 3.36Å; Q98-I100 VanDerWaalsContact O-N 3.12Å; I100-Y102 PolarHBondContact O-N 3.48Å; I100-P103 WeakPolarHBondContact O-CD 3.27Å; I100-L104 WeakPolarHBondContact O-CB 3.45Å; I100-L104 PolarHBondContact O-N 3.46Å
101R93.3Very high92.7Very high78 Ų7863.5 Ų63.529%0.29433%0.325SS..Hα-helixtrans-57.3-49.8-179.1-65.9179.8-171.8-164.44.4111.7L88 S92 Q98 L104 I105L88-R101 HydrophobicContact CD1-CB 4.37Å; L88-R101 HydrophobicContact CD1-CG 3.97Å; S92-R101 VanDerWaalsContact C-NH2 3.34Å; S92-R101 PolarHBondContact O-NH2 3.03Å; Q98-R101 WeakPolarHBondContact O-CB 3.49Å; Q98-R101 WeakPolarHBondContact O-CG 3.15Å; Q98-R101 PolarHBondContact O-N 3.48Å; Q98-R101 VanDerWaalsContact O-N 3.11Å; R101-L104 PolarHBondContact O-N 2.78Å; R101-I105 WeakPolarHBondContact O-CB 3.48Å; R101-I105 WeakPolarHBondContact O-CD1 3.46Å; R101-I105 WeakPolarHBondContact O-CG1 3.43Å; R101-I105 PolarHBondContact O-N 3.49Å
102Y95Very high92.9Very high173 Ų17366.1 Ų66.168%0.67835%0.347SS*.Hα-helixtrans-64.5-51.4-177.3-179.3-89.9000112.7I100 L104 I105 H106I100-Y102 PolarHBondContact O-N 3.48Å; Y102-L104 VanDerWaalsContact C-N 3.3Å; Y102-L104 PolarHBondContact O-N 3.42Å; Y102-I105 PolarHBondContact O-N 3.26Å; Y102-H106 WeakPolarHBondContact O-CB 3.1Å; Y102-H106 PolarHBondContact O-N 2.58Å
103P96.9Very high93.1Very high54 Ų5468.9 Ų68.935%0.35135%0.348SS..Hα-helixtrans-54.4-42.6173.3-27.934.1000113.8I50 P99 I100 H106 V107I50-P103 HydrophobicContact CG2-CB 4.1Å; P99-P103 WeakPolarHBondContact O-CD 2.99Å; I100-P103 WeakPolarHBondContact O-CD 3.27Å; P103-H106 PolarHBondContact O-N 2.51Å; P103-V107 WeakPolarHBondContact O-CG2 3.39Å; P103-V107 PolarHBondContact O-N 2.92Å
104L95.2Very high93.2Very high3 Ų362.8 Ų62.82%0.01631%0.314CS..Hα-helixtrans-66.4-46.7179.7-17764.5000111.9I50 W84 C85 L88 I100 R101 Y102 H106 V107 A108I50-L104 HydrophobicContact CD1-CB 4.04Å; I50-L104 HydrophobicContact CD1-CD1 3.96Å; I50-L104 HydrophobicContact CD1-CG 4.44Å; I50-L104 HydrophobicContact CG1-CD1 4.03Å; W84-L104 VanDerWaalsContact C-CD2 3.42Å; W84-L104 HydrophobicContact CB-CD1 3.72Å; W84-L104 HydrophobicContact CB-CD2 3.79Å; W84-L104 HydrophobicContact CB-CG 4.43Å; W84-L104 WeakPolarHBondContact O-CD2 3.47Å; C85-L104 HydrophobicContact CB-CD2 4.45Å; L88-L104 HydrophobicContact CD1-CB 4.04Å; L88-L104 HydrophobicContact CD1-CD2 3.36Å; L88-L104 HydrophobicContact CD1-CG 4.33Å; L88-L104 HydrophobicContact CG-CD2 3.87Å; I100-L104 WeakPolarHBondContact O-CB 3.45Å; I100-L104 PolarHBondContact O-N 3.46Å; R101-L104 PolarHBondContact O-N 2.78Å; Y102-L104 VanDerWaalsContact C-N 3.3Å; Y102-L104 PolarHBondContact O-N 3.42Å; L104-H106 PolarHBondContact O-N 3Å; L104-V107 PolarHBondContact O-N 3.1Å; L104-A108 WeakPolarHBondContact O-CB 3.26Å; L104-A108 PolarHBondContact O-N 3.49Å
105I95.1Very high93.1Very high112 Ų11262.1 Ų62.157%0.57431%0.313SS*.Hα-helixtrans-58.4-42177-69.6164000109.8R101 Y102 A108 F109R101-I105 WeakPolarHBondContact O-CB 3.48Å; R101-I105 WeakPolarHBondContact O-CD1 3.46Å; R101-I105 WeakPolarHBondContact O-CG1 3.43Å; R101-I105 PolarHBondContact O-N 3.49Å; Y102-I105 PolarHBondContact O-N 3.26Å; I105-A108 PolarHBondContact O-N 3.3Å; I105-F109 VanDerWaalsContact O-CB 3.25Å; I105-F109 WeakPolarHBondContact O-CB 3.35Å; I105-F109 PolarHBondContact O-N 3.37Å
106H95.9Very high92.8Very high113 Ų11358.7 Ų58.752%0.52329%0.292SS..Hα-helixtrans-63.5-44178.3-162.490.8000112.3Y102 P103 L104 G110Y102-H106 WeakPolarHBondContact O-CB 3.1Å; Y102-H106 PolarHBondContact O-N 2.58Å; P103-H106 PolarHBondContact O-N 2.51Å; L104-H106 PolarHBondContact O-N 3Å; H106-G110 PolarHBondContact O-N 3.27Å
107V95.8Very high92.4Very high6 Ų658.5 Ų58.54%0.03629%0.289CS..Hα-helixtrans-65.9-42.9175.61720000111.3I50 L53 A54 V81 P103 L104 G110 C111I50-V107 HydrophobicContact CG2-CG2 4.14Å; L53-V107 HydrophobicContact CB-CG1 3.93Å; A54-V107 HydrophobicContact CB-CG2 3.69Å; V81-V107 HydrophobicContact CG2-CG1 4.25Å; P103-V107 WeakPolarHBondContact O-CG2 3.39Å; P103-V107 PolarHBondContact O-N 2.92Å; L104-V107 PolarHBondContact O-N 3.1Å; V107-G110 PolarHBondContact O-N 3.44Å; V107-C111 VanDerWaalsContact O-CB 3.24Å; V107-C111 WeakPolarHBondContact O-CB 3.15Å; V107-C111 PolarHBondContact O-N 3.43Å
108A94.3Very high92.1Very high26 Ų2660.4 Ų60.422%0.21530%0.297CS..Hα-helixtrans-63.3-46.4178.700000111.6V81 L104 I105 C111 A112V81-A108 HydrophobicContact CG1-CB 3.63Å; L104-A108 WeakPolarHBondContact O-CB 3.26Å; L104-A108 PolarHBondContact O-N 3.49Å; I105-A108 PolarHBondContact O-N 3.3Å; A108-C111 PolarHBondContact O-N 2.9Å; A108-A112 WeakPolarHBondContact O-CB 3.37Å; A108-A112 PolarHBondContact O-N 3.02Å
109F92.7Very high91.7Very high122 Ų12260.9 Ų60.954%0.53530%0.298SS..Hα-helixtrans-63.9-43.9175.5-175.4-97.8000111.7I105 C111 A112 R113I105-F109 VanDerWaalsContact O-CB 3.25Å; I105-F109 WeakPolarHBondContact O-CB 3.35Å; I105-F109 PolarHBondContact O-N 3.37Å; F109-C111 PolarHBondContact O-N 2.93Å; F109-A112 PolarHBondContact O-N 2.92Å; F109-R113 VanDerWaalsContact O-CB 3.32Å; F109-R113 WeakPolarHBondContact O-CB 3.5Å; F109-R113 PolarHBondContact O-N 3.5Å
110G93.2Very high91Very high10 Ų1057.8 Ų57.810%0.10328%0.277CS..Hα-helixtrans-60.6-42.6175.900000112.6H106 V107 R113 Y114H106-G110 PolarHBondContact O-N 3.27Å; V107-G110 PolarHBondContact O-N 3.44Å; G110-R113 PolarHBondContact O-N 3.16Å; G110-Y114 VanDerWaalsContact O-CB 3.31Å; G110-Y114 WeakPolarHBondContact O-CB 3.46Å; G110-Y114 PolarHBondContact O-N 2.87Å
111C92.9Very high90.5Very high5 Ų563.6 Ų63.63%0.03430%0.302CS..Hα-helixtrans-63.4-50.2175.5178.80000111.2F77 V107 A108 F109 R113 Y114 L115F77-C111 HydrophobicContact CE1-CB 4.11Å; V107-C111 VanDerWaalsContact O-CB 3.24Å; V107-C111 WeakPolarHBondContact O-CB 3.15Å; V107-C111 PolarHBondContact O-N 3.43Å; A108-C111 PolarHBondContact O-N 2.9Å; F109-C111 PolarHBondContact O-N 2.93Å; C111-R113 VanDerWaalsContact C-N 3.33Å; C111-R113 PolarHBondContact O-N 3.25Å; C111-Y114 PolarHBondContact O-N 3.02Å; C111-Y114 VanDerWaalsContact O-N 3.16Å; C111-L115 WeakPolarHBondContact O-CG 3.02Å; C111-L115 PolarHBondContact O-N 2.91Å
112A90.4Very high90Very high56 Ų5663.9 Ų63.946%0.46331%0.31SS..Hα-helixtrans-57.3-47177.200000111.2A108 F109 Y114 R116A108-A112 WeakPolarHBondContact O-CB 3.37Å; A108-A112 PolarHBondContact O-N 3.02Å; F109-A112 PolarHBondContact O-N 2.92Å; A112-Y114 PolarHBondContact O-N 2.95Å; A112-R116 WeakPolarHBondContact O-CB 3.37Å; A112-R116 PolarHBondContact O-N 3.36Å
113R88.5Confident89.2Confident118 Ų11856.6 Ų56.645%0.44528%0.282SS..Hα-helixtrans-62.1-41.6176.6-176.1172.566.2165.3-1112.2F109 G110 C111 N117F109-R113 VanDerWaalsContact O-CB 3.32Å; F109-R113 WeakPolarHBondContact O-CB 3.5Å; F109-R113 PolarHBondContact O-N 3.5Å; G110-R113 PolarHBondContact O-N 3.16Å; C111-R113 VanDerWaalsContact C-N 3.33Å; C111-R113 PolarHBondContact O-N 3.25Å; R113-N117 WeakPolarHBondContact O-CB 3.48Å; R113-N117 PolarHBondContact O-N 3.39Å; R113-N117 PolarHBondContact O-OD1 3.47Å
114Y90.2Very high88.1Confident17 Ų1756.7 Ų56.77%0.06728%0.278CS..Hα-helixtrans-63.4-53.7178.5-179.8-97.6000111.8L57 A60 T61 V72 Q73 G110 C111 A112 R116 N117 Q118L57-Y114 HydrophobicContact CD1-CG 4.14Å; A60-Y114 HydrophobicContact CB-CE1 4.27Å; A60-Y114 HydrophobicContact CB-CE2 4.2Å; A60-Y114 WeakPolarHBondContact O-CE2 3.3Å; A60-Y114 PolarHBondContact O-OH 3.43Å; T61-Y114 HydrophobicContact CG2-CD2 3.61Å; T61-Y114 HydrophobicContact CG2-CE2 4.02Å; V72-Y114 HydrophobicContact CB-CD1 4.34Å; V72-Y114 HydrophobicContact CB-CE1 4.09Å; V72-Y114 HydrophobicContact CG1-CD1 3.54Å; V72-Y114 HydrophobicContact CG1-CE1 3.8Å; V72-Y114 HydrophobicContact CG1-CG 4.41Å; Q73-Y114 HydrophobicContact CG-CE1 4.45Å; G110-Y114 VanDerWaalsContact O-CB 3.31Å; G110-Y114 WeakPolarHBondContact O-CB 3.46Å; G110-Y114 PolarHBondContact O-N 2.87Å; C111-Y114 PolarHBondContact O-N 3.02Å; C111-Y114 VanDerWaalsContact O-N 3.16Å; A112-Y114 PolarHBondContact O-N 2.95Å; Y114-R116 VanDerWaalsContact C-N 3.25Å; Y114-R116 PolarHBondContact O-N 3.39Å; Y114-N117 PolarHBondContact O-N 3.3Å; Y114-Q118 HydrophobicContact CD1-CG 4.07Å; Y114-Q118 HydrophobicContact CD2-CG 4.46Å; Y114-Q118 HydrophobicContact CE1-CG 3.71Å; Y114-Q118 HydrophobicContact CE2-CG 4.15Å; Y114-Q118 HydrophobicContact CG-CG 4.45Å; Y114-Q118 VanDerWaalsContact CZ-NE2 3.29Å; Y114-Q118 WeakPolarHBondContact O-CG 3.46Å; Y114-Q118 PolarHBondContact O-N 3.24Å; Y114-Q118 PolarHBondContact OH-NE2 3.28Å; Y114-Q118 VanDerWaalsContact OH-NE2 3.08Å
115L88.4Confident87.2Confident50 Ų5060.8 Ų60.826%0.26230%0.3SS..Hα-helixtrans-58.7-41.6179.3-67.1176000111.5Q73 V78 C111 Q118 F119Q73-L115 HydrophobicContact CB-CD2 4.36Å; Q73-L115 HydrophobicContact CG-CD2 4.03Å; V78-L115 HydrophobicContact CG2-CD1 3.59Å; C111-L115 WeakPolarHBondContact O-CG 3.02Å; C111-L115 PolarHBondContact O-N 2.91Å; L115-Q118 PolarHBondContact O-N 3.45Å; L115-F119 WeakPolarHBondContact O-CB 3.38Å; L115-F119 PolarHBondContact O-N 2.93Å
116R85.1Confident86.3Confident53 Ų5359.1 Ų59.120%0.230%0.295CS..Hα-helixtrans-59.6-48.4176.5-174.3174.277-175.53.5112.3A112 Y114 F119 L120 F177 N181A112-R116 WeakPolarHBondContact O-CB 3.37Å; A112-R116 PolarHBondContact O-N 3.36Å; Y114-R116 VanDerWaalsContact C-N 3.25Å; Y114-R116 PolarHBondContact O-N 3.39Å; R116-F119 PolarHBondContact O-N 3.23Å; R116-L120 PolarHBondContact O-N 3.43Å; R116-L120 VanDerWaalsContact O-N 3.12Å; R116-F177 HydrophobicContact CB-CE2 4.42Å; R116-F177 HydrophobicContact CG-CD2 4.48Å; R116-F177 HydrophobicContact CG-CE1 4.41Å; R116-F177 HydrophobicContact CG-CE2 3.3Å; R116-F177 HydrophobicContact CG-CZ 3.22Å; R116-N181 WeakPolarHBondContact CD-OD1 3.33Å; R116-N181 PolarHBondContact NE-OD1 3.22Å; R116-N181 PolarHBondContact NH1-OD1 2.87Å
117N84.7Confident85.1Confident52 Ų5254 Ų5428%0.27827%0.272SS..Hα-helixtrans-68.4-36178.6-700.3000111.9R113 Y114 L120 K121 L190R113-N117 WeakPolarHBondContact O-CB 3.48Å; R113-N117 PolarHBondContact O-N 3.39Å; R113-N117 PolarHBondContact O-OD1 3.47Å; Y114-N117 PolarHBondContact O-N 3.3Å; N117-L120 PolarHBondContact O-N 3.44Å; N117-K121 WeakPolarHBondContact O-CG 3.32Å; N117-K121 PolarHBondContact O-N 2.89Å; N117-L190 VanDerWaalsContact OD1-CD2 3.31Å; N117-L190 WeakPolarHBondContact OD1-CD2 3.47Å
118Q86.1Confident83.9Confident39 Ų3957.4 Ų57.418%0.18230%0.295CS..Hα-helixtrans-68.3-41.3175.9-68.4-63.77.700112.1Y114 L115 L120 K121 N122Y114-Q118 HydrophobicContact CD1-CG 4.07Å; Y114-Q118 HydrophobicContact CD2-CG 4.46Å; Y114-Q118 HydrophobicContact CE1-CG 3.71Å; Y114-Q118 HydrophobicContact CE2-CG 4.15Å; Y114-Q118 HydrophobicContact CG-CG 4.45Å; Y114-Q118 VanDerWaalsContact CZ-NE2 3.29Å; Y114-Q118 WeakPolarHBondContact O-CG 3.46Å; Y114-Q118 PolarHBondContact O-N 3.24Å; Y114-Q118 PolarHBondContact OH-NE2 3.28Å; Y114-Q118 VanDerWaalsContact OH-NE2 3.08Å; L115-Q118 PolarHBondContact O-N 3.45Å; Q118-L120 VanDerWaalsContact C-N 3.33Å; Q118-L120 PolarHBondContact O-N 3.27Å; Q118-K121 PolarHBondContact O-N 2.88Å; Q118-N122 WeakPolarHBondContact O-CB 3.25Å; Q118-N122 VanDerWaalsContact O-CG 3.27Å; Q118-N122 PolarHBondContact O-N 2.93Å
119F83.8Confident82.7Confident112 Ų11263.1 Ų63.149%0.49132%0.321SS..Hα-helixtrans-58.7-45.5174.4-178-96.5000111.3L115 R116 N122 L123L115-F119 WeakPolarHBondContact O-CB 3.38Å; L115-F119 PolarHBondContact O-N 2.93Å; R116-F119 PolarHBondContact O-N 3.23Å; F119-N122 PolarHBondContact O-N 3.41Å; F119-L123 HydrophobicContact CD1-CD1 4.42Å; F119-L123 HydrophobicContact CE1-CD1 3.7Å; F119-L123 HydrophobicContact CZ-CD1 4.2Å; F119-L123 WeakPolarHBondContact O-CB 3.02Å; F119-L123 PolarHBondContact O-N 2.9Å
120L80.4Confident81.4Confident12 Ų1260.7 Ų60.76%0.06332%0.316CS..Hα-helixtrans-62.3-43.3176.1-75.6177.9000113.5R116 N117 Q118 L123 H124 F177 L190 V194R116-L120 PolarHBondContact O-N 3.43Å; R116-L120 VanDerWaalsContact O-N 3.12Å; N117-L120 PolarHBondContact O-N 3.44Å; Q118-L120 VanDerWaalsContact C-N 3.33Å; Q118-L120 PolarHBondContact O-N 3.27Å; L120-L123 PolarHBondContact O-N 3.35Å; L120-H124 WeakPolarHBondContact O-CB 3.4Å; L120-H124 PolarHBondContact O-N 3.5Å; L120-F177 HydrophobicContact CD1-CE1 3.52Å; L120-F177 HydrophobicContact CD1-CE2 4.38Å; L120-F177 HydrophobicContact CD1-CZ 3.32Å; L120-F177 HydrophobicContact CD2-CD1 4Å; L120-F177 HydrophobicContact CD2-CE1 3.56Å; L120-F177 HydrophobicContact CD2-CE2 4.09Å; L120-F177 HydrophobicContact CD2-CZ 3.59Å; L120-F177 HydrophobicContact CG-CE1 3.73Å; L120-F177 HydrophobicContact CG-CE2 3.94Å; L120-F177 HydrophobicContact CG-CZ 3.31Å; L120-L190 HydrophobicContact CD1-CB 4Å; L120-L190 HydrophobicContact CD1-CD2 3.71Å; L120-L190 HydrophobicContact CD1-CG 4.3Å; L120-V194 HydrophobicContact CD2-CG2 4.1Å
121K81.9Confident80Confident124 Ų12465.1 Ų65.154%0.53934%0.337SS..Hα-helixtrans-60.9-45.6177.1-76.2176.6178.9-175.90111.5N117 Q118 L123 H124 N125N117-K121 WeakPolarHBondContact O-CG 3.32Å; N117-K121 PolarHBondContact O-N 2.89Å; Q118-K121 PolarHBondContact O-N 2.88Å; K121-L123 VanDerWaalsContact C-N 3.33Å; K121-H124 PolarHBondContact O-N 2.83Å; K121-N125 WeakPolarHBondContact O-CB 3.12Å; K121-N125 VanDerWaalsContact O-CG 3.23Å; K121-N125 PolarHBondContact O-N 3.34Å; K121-N125 PolarHBondContact O-OD1 2.98Å
122N83Confident78.6Confident84 Ų8466.5 Ų66.545%0.44934%0.343SS..Hα-helixtrans-63.3-43.5177.4-68.7-10.7000110.8Q118 F119 N125 T126Q118-N122 WeakPolarHBondContact O-CB 3.25Å; Q118-N122 VanDerWaalsContact O-CG 3.27Å; Q118-N122 PolarHBondContact O-N 2.93Å; F119-N122 PolarHBondContact O-N 3.41Å; N122-N125 PolarHBondContact O-N 3.47Å; N122-T126 WeakPolarHBondContact O-CG2 3.32Å; N122-T126 PolarHBondContact O-N 2.87Å; N122-T126 PolarHBondContact O-OG1 3.3Å
123L78.9Confident77.1Confident20 Ų2068.9 Ų68.911%0.10535%0.348CS..Hα-helixtrans-63.5-45.1178.3176.4159.6000111.9F119 L120 K121 N125 T126 L127 M174 V194F119-L123 HydrophobicContact CD1-CD1 4.42Å; F119-L123 HydrophobicContact CE1-CD1 3.7Å; F119-L123 HydrophobicContact CZ-CD1 4.2Å; F119-L123 WeakPolarHBondContact O-CB 3.02Å; F119-L123 PolarHBondContact O-N 2.9Å; L120-L123 PolarHBondContact O-N 3.35Å; K121-L123 VanDerWaalsContact C-N 3.33Å; L123-N125 PolarHBondContact O-N 2.98Å; L123-T126 WeakPolarHBondContact CA-OG1 3.49Å; L123-T126 PolarHBondContact O-N 3.48Å; L123-T126 PolarHBondContact O-OG1 3.08Å; L123-L127 HydrophobicContact CD2-CD1 3.93Å; L123-L127 HydrophobicContact CD2-CG 4.25Å; L123-L127 WeakPolarHBondContact O-CG 3.14Å; L123-L127 PolarHBondContact O-N 2.81Å; L123-M174 HydrophobicContact CD1-CE 3.84Å; L123-M174 HydrophobicContact CD1-CG 4.03Å; L123-M174 HydrophobicContact CD2-CE 3.21Å; L123-M174 HydrophobicContact CD2-SD 4.47Å; L123-M174 HydrophobicContact CG-CE 3.78Å; L123-V194 HydrophobicContact CD2-CG1 4.22Å
124H73.8Confident75.8Confident56 Ų5668 Ų6826%0.25935%0.349SS..Hα-helixtrans-57.6-49.4173.2172.3-88.1000111.2L120 K121 T126 L127 C128L120-H124 WeakPolarHBondContact O-CB 3.4Å; L120-H124 PolarHBondContact O-N 3.5Å; K121-H124 PolarHBondContact O-N 2.83Å; H124-T126 VanDerWaalsContact C-N 3.31Å; H124-T126 PolarHBondContact O-N 3.26Å; H124-L127 PolarHBondContact O-N 3.13Å; H124-L127 VanDerWaalsContact O-N 3.15Å; H124-C128 PolarHBondContact CE1-SG 2.84Å; H124-C128 PolarHBondContact O-N 2.84Å; H124-C128 PolarHBondContact O-SG 2.87Å; H124-C128 VanDerWaalsContact O-SG 3.41Å
125N77.2Confident74.4Confident89 Ų8975.7 Ų75.748%0.47638%0.382SS..Hα-helixtrans-59.3-42.9177.8-69.5-4.6000111.5K121 N122 L123 C128 L129K121-N125 WeakPolarHBondContact O-CB 3.12Å; K121-N125 VanDerWaalsContact O-CG 3.23Å; K121-N125 PolarHBondContact O-N 3.34Å; K121-N125 PolarHBondContact O-OD1 2.98Å; N122-N125 PolarHBondContact O-N 3.47Å; L123-N125 PolarHBondContact O-N 2.98Å; N125-C128 PolarHBondContact O-N 3.31Å; N125-L129 VanDerWaalsContact O-CG 3.23Å; N125-L129 WeakPolarHBondContact O-CG 3.48Å; N125-L129 PolarHBondContact O-N 2.93Å
126T75.2Confident73Confident78 Ų7876.7 Ų76.748%0.47939%0.392SS..Hα-helixtrans-65.1-39176.255.50000112.7N122 L123 H124 C128 L129 V130N122-T126 WeakPolarHBondContact O-CG2 3.32Å; N122-T126 PolarHBondContact O-N 2.87Å; N122-T126 PolarHBondContact O-OG1 3.3Å; L123-T126 WeakPolarHBondContact CA-OG1 3.49Å; L123-T126 PolarHBondContact O-N 3.48Å; L123-T126 PolarHBondContact O-OG1 3.08Å; H124-T126 VanDerWaalsContact C-N 3.31Å; H124-T126 PolarHBondContact O-N 3.26Å; T126-C128 VanDerWaalsContact C-N 3.35Å; T126-L129 PolarHBondContact O-N 3.2Å; T126-V130 WeakPolarHBondContact O-CB 3.48Å; T126-V130 VanDerWaalsContact O-CG2 3.29Å; T126-V130 WeakPolarHBondContact O-CG2 3.3Å; T126-V130 PolarHBondContact O-N 3.18Å
127L71.2Confident71.9Confident5 Ų581.3 Ų81.33%0.02641%0.413CS..Hα-helixtrans-66.2-36.1175.9-76.4-174.7000112.7L123 H124 F132 V170 M174 V198 N201L123-L127 HydrophobicContact CD2-CD1 3.93Å; L123-L127 HydrophobicContact CD2-CG 4.25Å; L123-L127 WeakPolarHBondContact O-CG 3.14Å; L123-L127 PolarHBondContact O-N 2.81Å; H124-L127 PolarHBondContact O-N 3.13Å; H124-L127 VanDerWaalsContact O-N 3.15Å; L127-F132 HydrophobicContact CD2-CE2 3.81Å; L127-F132 HydrophobicContact CD2-CZ 4.36Å; L127-V170 HydrophobicContact CD2-CG1 4.44Å; L127-M174 HydrophobicContact CD1-CE 3.4Å; L127-M174 VanDerWaalsContact CD1-CE 3.4Å; L127-M174 HydrophobicContact CD2-CE 4.15Å; L127-M174 HydrophobicContact CG-CE 4.02Å; L127-V198 HydrophobicContact CD1-CG2 3.52Å; L127-N201 PolarHBondContact O-ND2 3.33Å
128C69.5Low70.7Confident78 Ų7886.4 Ų86.453%0.52743%0.429SS..Hα-helixtrans-70.2-33.1175.1-69.90000112.1H124 N125 T126H124-C128 PolarHBondContact CE1-SG 2.84Å; H124-C128 PolarHBondContact O-N 2.84Å; H124-C128 PolarHBondContact O-SG 2.87Å; H124-C128 VanDerWaalsContact O-SG 3.41Å; N125-C128 PolarHBondContact O-N 3.31Å; T126-C128 VanDerWaalsContact C-N 3.35Å
129L69Low69.5Low146 Ų14689.6 Ų89.676%0.76446%0.455SS*.Hα-helixtrans-77.1-36177.6-69.5172.4000112.5N125 T126 N131N125-L129 VanDerWaalsContact O-CG 3.23Å; N125-L129 WeakPolarHBondContact O-CG 3.48Å; N125-L129 PolarHBondContact O-N 2.93Å; T126-L129 PolarHBondContact O-N 3.2Å; L129-N131 PolarHBondContact O-N 3.3Å
130V66.8Low68.2Low71 Ų7187.2 Ų87.243%0.4345%0.45SS..SBendtrans-8695.1-179.5-1790000109.5T126 F132T126-V130 WeakPolarHBondContact O-CB 3.48Å; T126-V130 VanDerWaalsContact O-CG2 3.29Å; T126-V130 WeakPolarHBondContact O-CG2 3.3Å; T126-V130 PolarHBondContact O-N 3.18Å; V130-F132 HydrophobicContact CB-CE2 4.07Å; V130-F132 HydrophobicContact CB-CZ 4.12Å; V130-F132 HydrophobicContact CG1-CD1 3.97Å; V130-F132 HydrophobicContact CG1-CD2 4.15Å; V130-F132 HydrophobicContact CG1-CE1 3.6Å; V130-F132 HydrophobicContact CG1-CE2 3.8Å; V130-F132 HydrophobicContact CG1-CG 4.24Å; V130-F132 HydrophobicContact CG1-CZ 3.52Å; V130-F132 VanDerWaalsContact O-CD2 3.25Å; V130-F132 WeakPolarHBondContact O-CD2 3.07Å; V130-F132 PolarHBondContact O-N 3.37Å
131N62.5Low67.3Low102 Ų10295.1 Ų95.155%0.54549%0.491SS..  trans-73.196.7171.3-171.4-7.7000110.6L129 N133L129-N131 PolarHBondContact O-N 3.3Å; N131-N133 PolarHBondContact O-N 3.2Å; N131-N133 VanDerWaalsContact OD1-CB 3.22Å; N131-N133 WeakPolarHBondContact OD1-CB 3.44Å; N131-N133 PolarHBondContact OD1-N 3Å
132F63.6Low66.6Low35 Ų3597.5 Ų97.515%0.15450%0.502CS..THydrogen-bonded Turntrans-68.3-10.8176.7-65.6-78000113.7L127 V130 H134 M167 N201L127-F132 HydrophobicContact CD2-CE2 3.81Å; L127-F132 HydrophobicContact CD2-CZ 4.36Å; V130-F132 HydrophobicContact CB-CE2 4.07Å; V130-F132 HydrophobicContact CB-CZ 4.12Å; V130-F132 HydrophobicContact CG1-CD1 3.97Å; V130-F132 HydrophobicContact CG1-CD2 4.15Å; V130-F132 HydrophobicContact CG1-CE1 3.6Å; V130-F132 HydrophobicContact CG1-CE2 3.8Å; V130-F132 HydrophobicContact CG1-CG 4.24Å; V130-F132 HydrophobicContact CG1-CZ 3.52Å; V130-F132 VanDerWaalsContact O-CD2 3.25Å; V130-F132 WeakPolarHBondContact O-CD2 3.07Å; V130-F132 PolarHBondContact O-N 3.37Å; F132-H134 VanDerWaalsContact C-N 3.28Å; F132-H134 PolarHBondContact O-N 3.19Å; F132-M167 HydrophobicContact CB-CE 3.74Å; F132-M167 HydrophobicContact CB-SD 4.32Å; F132-M167 HydrophobicContact CD1-CE 3.7Å; F132-M167 HydrophobicContact CD1-CG 3.45Å; F132-M167 VanDerWaalsContact CD1-CG 3.45Å; F132-M167 HydrophobicContact CD1-SD 3.35Å; F132-M167 WeakPolarHBondContact CD1-SD 3.42Å; F132-M167 HydrophobicContact CD2-CE 4.39Å; F132-M167 HydrophobicContact CE1-CE 4.39Å; F132-M167 HydrophobicContact CE1-CG 3.24Å; F132-M167 HydrophobicContact CE1-SD 3.84Å; F132-M167 HydrophobicContact CG-CE 3.69Å; F132-M167 HydrophobicContact CG-CG 4.25Å; F132-M167 HydrophobicContact CG-SD 4Å; F132-M167 HydrophobicContact CZ-CG 3.9Å; F132-N201 HydrophobicContact CD2-CB 4.04Å
133N59.8Low65.7Low105 Ų10598.1 Ų98.156%0.56151%0.511SS*.THydrogen-bonded Turntrans-77.6-7.4-179.1-63-40.1000113.8N131 K135N131-N133 PolarHBondContact O-N 3.2Å; N131-N133 VanDerWaalsContact OD1-CB 3.22Å; N131-N133 WeakPolarHBondContact OD1-CB 3.44Å; N131-N133 PolarHBondContact OD1-N 3Å; N133-K135 PolarHBondContact O-N 3.34Å
134H60.1Low65.3Low100 Ų10098.3 Ų98.346%0.46351%0.511SS..SBendtrans-68.4120.6175-168.2-65.3000110.1F132 R163F132-H134 VanDerWaalsContact C-N 3.28Å; F132-H134 PolarHBondContact O-N 3.19Å; H134-R163 PolarHBondContact O-NH1 2.97Å
135K60.7Low65.3Low178 Ų17899.5 Ų99.577%0.77452%0.519SS*.PPolyproline II helixtrans-48.9127174.9-68.1-177.6-179.1179.80109.9N133 K137N133-K135 PolarHBondContact O-N 3.34Å; K135-K137 PolarHBondContact O-N 2.99Å
136P59Low65.1Low71 Ų7198.5 Ų98.546%0.46151%0.511SS..PPolyproline II helixtrans-60.3132.3179.522-30.4000110.2S160P136-S160 VanDerWaalsContact CB-CB 3.42Å
137K63.1Low65.2Low150 Ų150100.9 Ų100.965%0.65252%0.521SS*.SBendtrans-80.9-19.5-176-75.3-175.1178.3-178.90112.7K135K135-K137 PolarHBondContact O-N 2.99Å
138R58.2Low65.3Low159 Ų159105.7 Ų105.760%0.655%0.554SS**BIsolated β-bridgetrans-141.9139.6-179.4-67.5-173.9-179.4173.6-0.6111.5S160R138-S160 PolarHBondContact O-N 3.5Å
139S61Low65.5Low106 Ų106104.4 Ų104.474%0.74155%0.546SS*.  trans-105.7111.3173.453.40000109.2
140T57.9Low65.6Low63 Ų63105.9 Ų105.939%0.38755%0.553SS.*  trans-115.2134.6169.3-55.60000108.4E159 S161T140-E159 WeakPolarHBondContact CB-OE1 3.44Å; T140-E159 PolarHBondContact OG1-OE1 3.27Å; T140-S161 PolarHBondContact O-OG 2.86Å
141L60.3Low66.1Low177 Ų177111.9 Ų111.993%0.92757%0.574SS**SBendtrans-78-16.9-168.9-71.1165.8000115.1P143L141-P143 WeakPolarHBondContact O-CD 3.33Å
142K66.9Low66.5Low175 Ų175110.2 Ų110.276%0.76156%0.564SS**SBendtrans-96.7118.5-179.2-72-172.9179.9-178.50110.9
143P65.2Low67.2Low97 Ų97111.1 Ų111.163%0.6358%0.575SS**PPolyproline II helixtrans-58.9138170.7-19.731.4000110.4L141L141-P143 WeakPolarHBondContact O-CD 3.33Å
144I70.8Confident68Low23 Ų23112.6 Ų112.612%0.11858%0.583CS.*PPolyproline II helixtrans-74.4128.6172.6-71.2158.8000108.5L152 H156 F162I144-L152 HydrophobicContact CD1-CD2 4.26Å; I144-L152 HydrophobicContact CG2-CD2 4.05Å; I144-H156 HydrophobicContact CD1-CB 3.8Å; I144-F162 HydrophobicContact CD1-CB 3.89Å; I144-F162 HydrophobicContact CD1-CD2 3.5Å; I144-F162 HydrophobicContact CD1-CE2 4.45Å; I144-F162 HydrophobicContact CD1-CG 4.05Å
145D73Confident68.6Low81 Ų81109.9 Ų109.943%0.43358%0.578SS.*  trans-83.4113.1170.3-175.66.8000110D147 S149D145-D147 VanDerWaalsContact C-N 3.26Å; D145-D147 PolarHBondContact O-N 3.42Å; D145-D147 WeakPolarHBondContact OD1-CB 3.2Å; D145-D147 PolarHBondContact OD1-N 3.14Å; D145-S149 VanDerWaalsContact O-CB 3.27Å; D145-S149 WeakPolarHBondContact O-CB 3.25Å; D145-S149 PolarHBondContact O-N 3.38Å; D145-S149 PolarHBondContact O-OG 3.42Å
146F73.2Confident69.1Low68 Ų68104.3 Ų104.330%0.29856%0.555SS.*THydrogen-bonded Turntrans-75.7-11.7177.7-76-80.3000113.3F162 T165 T166F146-F162 HydrophobicContact CE1-CD2 4.42Å; F146-F162 AromaticContact CE1-CE2 3.65Å; F146-F162 HydrophobicContact CE1-CE2 3.65Å; F146-F162 HydrophobicContact CE1-CZ 4.38Å; F146-F162 AromaticContact CZ-CD2 3.79Å; F146-F162 HydrophobicContact CZ-CD2 3.79Å; F146-F162 AromaticContact CZ-CE2 3.39Å; F146-F162 HydrophobicContact CZ-CE2 3.39Å; F146-F162 HydrophobicContact CZ-CZ 4.24Å; F146-T165 HydrophobicContact CD2-CG2 3.8Å; F146-T165 HydrophobicContact CE2-CG2 3.51Å; F146-T166 VanDerWaalsContact CZ-OG1 3.32Å; F146-T166 WeakPolarHBondContact CZ-OG1 3.31Å
147D76.5Confident69.6Low129 Ų129104.7 Ų104.769%0.6955%0.552SS**THydrogen-bonded Turntrans-76.5-30.9-179-65.5-25.1000111.6D145D145-D147 VanDerWaalsContact C-N 3.26Å; D145-D147 PolarHBondContact O-N 3.42Å; D145-D147 WeakPolarHBondContact OD1-CB 3.2Å; D145-D147 PolarHBondContact OD1-N 3.14Å
148C74.6Confident69.9Low106 Ų106100.6 Ų100.672%0.71654%0.537SS*.THydrogen-bonded Turntrans-107.3-17.2-178.5-61.90000114.5L150C148-L150 PolarHBondContact O-N 2.93Å
149S73.8Confident70.7Confident51 Ų5194 Ų9436%0.35751%0.513SS..  trans-95.298.2-169.4-56.20000113D145D145-S149 VanDerWaalsContact O-CB 3.27Å; D145-S149 WeakPolarHBondContact O-CB 3.25Å; D145-S149 PolarHBondContact O-N 3.38Å; D145-S149 PolarHBondContact O-OG 3.42Å
150L71.7Confident71.2Confident176 Ų17690.4 Ų90.492%0.92149%0.488SS*.SBendtrans-83-20.9176.4-66.3175.8000114.2C148C148-L150 PolarHBondContact O-N 2.93Å
151K76.4Confident71.9Confident197 Ų19788.2 Ų88.286%0.85748%0.476SS*.  trans-129.7134.4-179.4-70.6-176.3179.1178.60109.8
152L70.1Confident72.7Confident67 Ų6780.8 Ų80.835%0.35144%0.436SS..  trans-116.5135.2176.5-66.3162.7000108.9I144 H156 F162I144-L152 HydrophobicContact CD1-CD2 4.26Å; I144-L152 HydrophobicContact CG2-CD2 4.05Å; L152-H156 HydrophobicContact CD2-CB 4.42Å; L152-F162 HydrophobicContact CD1-CE2 3.39Å; L152-F162 HydrophobicContact CD1-CZ 3.55Å; L152-F162 HydrophobicContact CD2-CD2 4.49Å; L152-F162 HydrophobicContact CD2-CE2 4.03Å; L152-F162 HydrophobicContact CG-CE2 4.34Å
153S79.7Confident73Confident55 Ų5575 Ų7539%0.38541%0.409SS..  trans-68.4150.4166.8780000110.9A155 H156S153-A155 PolarHBondContact O-N 2.96Å; S153-A155 VanDerWaalsContact O-N 3.09Å; S153-A155 PolarHBondContact OG-N 3.23Å; S153-H156 PolarHBondContact N-CD2 3.49Å; S153-H156 PolarHBondContact O-N 3.32Å; S153-H156 PolarHBondContact OG-CD2 2.82Å; S153-H156 PolarHBondContact OG-N 3.4Å; S153-H156 PolarHBondContact OG-NE2 3.44Å
154N76Confident73.5Confident136 Ų13675.6 Ų75.673%0.72741%0.407SS*.THydrogen-bonded Turntrans-58.1-22.7173.5-73.1-29.3000112.6L157N154-L157 PolarHBondContact O-N 3.38Å
155A72.4Confident73.8Confident43 Ų4376.6 Ų76.636%0.35541%0.414SS..THydrogen-bonded Turntrans-67.1-36.9175.800000112.4S153 L157 L158S153-A155 PolarHBondContact O-N 2.96Å; S153-A155 VanDerWaalsContact O-N 3.09Å; S153-A155 PolarHBondContact OG-N 3.23Å; A155-L157 VanDerWaalsContact C-N 3.26Å; A155-L157 PolarHBondContact O-N 2.85Å; A155-L158 PolarHBondContact O-N 3.43Å; A155-L158 VanDerWaalsContact O-N 3.16Å
156H72Confident73.9Confident61 Ų6174.6 Ų74.628%0.28240%0.404SS..G310 helixtrans-64.5-29.3177.8-65.6-55.6000112.8I144 L152 S153 L158 E159 F162I144-H156 HydrophobicContact CD1-CB 3.8Å; L152-H156 HydrophobicContact CD2-CB 4.42Å; S153-H156 PolarHBondContact N-CD2 3.49Å; S153-H156 PolarHBondContact O-N 3.32Å; S153-H156 PolarHBondContact OG-CD2 2.82Å; S153-H156 PolarHBondContact OG-N 3.4Å; S153-H156 PolarHBondContact OG-NE2 3.44Å; H156-L158 PolarHBondContact O-N 3.44Å; H156-L158 VanDerWaalsContact O-N 3.12Å; H156-E159 IonicContact CE1-OE2 3.6Å; H156-E159 IonicContact CG-OE2 2.71Å; H156-E159 IonicContact ND1-OE1 3.91Å; H156-E159 IonicContact ND1-OE2 3.81Å; H156-E159 PolarHBondContact ND1-OE2 3.23Å; H156-E159 WeakPolarHBondContact O-CB 3.39Å; H156-E159 PolarHBondContact O-N 3.01Å; H156-F162 WeakPolarHBondContact O-CB 3.5Å; H156-F162 WeakPolarHBondContact O-CD1 3.32Å; H156-F162 WeakPolarHBondContact O-CG 3.42Å
157L69.3Low74Confident79 Ų7972.3 Ų72.341%0.41440%0.395SS..G310 helixtrans-62.9-20.9177.3-57.6178.2000113.1N154 A155 F162 R163N154-L157 PolarHBondContact O-N 3.38Å; A155-L157 VanDerWaalsContact C-N 3.26Å; A155-L157 PolarHBondContact O-N 2.85Å; L157-F162 HydrophobicContact CD2-CD1 4.43Å; L157-F162 HydrophobicContact CD2-CE1 3.64Å; L157-F162 HydrophobicContact CD2-CZ 4.09Å; L157-R163 PolarHBondContact O-NE 3.44Å; L157-R163 VanDerWaalsContact O-NE 3.16Å; L157-R163 PolarHBondContact O-NH2 3.34Å
158L69.8Low74Confident64 Ų6468.1 Ų68.134%0.33538%0.382SS..G310 helixtrans-91.9-10.9178.8-58.4178.3000113.1A155 H156A155-L158 PolarHBondContact O-N 3.43Å; A155-L158 VanDerWaalsContact O-N 3.16Å; H156-L158 PolarHBondContact O-N 3.44Å; H156-L158 VanDerWaalsContact O-N 3.12Å
159E74.7Confident74.2Confident19 Ų1966.1 Ų66.19%0.08936%0.36CS..BIsolated β-bridgetrans-76.1137.3-177-65-176.5148.100111.8T140 H156 F162 R163T140-E159 WeakPolarHBondContact CB-OE1 3.44Å; T140-E159 PolarHBondContact OG1-OE1 3.27Å; H156-E159 IonicContact CE1-OE2 3.6Å; H156-E159 IonicContact CG-OE2 2.71Å; H156-E159 IonicContact ND1-OE1 3.91Å; H156-E159 IonicContact ND1-OE2 3.81Å; H156-E159 PolarHBondContact ND1-OE2 3.23Å; H156-E159 WeakPolarHBondContact O-CB 3.39Å; H156-E159 PolarHBondContact O-N 3.01Å; E159-F162 HydrophobicContact CB-CB 4.08Å; E159-R163 WeakPolarHBondContact O-CG 3.28Å; E159-R163 PolarHBondContact O-N 3.45Å
160S71.1Confident74.5Confident31 Ų3165.6 Ų65.622%0.21735%0.354CS..Hα-helixtrans-60.6-45.4174.9530000112.5P136 R138 R163 L164P136-S160 VanDerWaalsContact CB-CB 3.42Å; R138-S160 PolarHBondContact O-N 3.5Å; S160-R163 PolarHBondContact O-N 3.29Å; S160-L164 WeakPolarHBondContact O-CG 3.39Å; S160-L164 PolarHBondContact O-N 3.08Å
161S72.5Confident74.7Confident18 Ų1858 Ų5813%0.12632%0.315CS..Hα-helixtrans-61.9-47-178.552.70000111.2T140 R163 L164 T165T140-S161 PolarHBondContact O-OG 2.86Å; S161-R163 VanDerWaalsContact C-N 3.34Å; S161-R163 PolarHBondContact O-N 2.7Å; S161-L164 PolarHBondContact O-N 2.86Å; S161-T165 WeakPolarHBondContact O-CB 3.49Å; S161-T165 PolarHBondContact O-N 3.36Å; S161-T165 PolarHBondContact O-OG1 3.33Å
162F76.7Confident75Confident20 Ų2051.2 Ų51.29%0.08829%0.287CS..Hα-helixtrans-55.6-47.4175.7178.9-106.3000112.3I144 F146 L152 H156 L157 E159 T166I144-F162 HydrophobicContact CD1-CB 3.89Å; I144-F162 HydrophobicContact CD1-CD2 3.5Å; I144-F162 HydrophobicContact CD1-CE2 4.45Å; I144-F162 HydrophobicContact CD1-CG 4.05Å; F146-F162 HydrophobicContact CE1-CD2 4.42Å; F146-F162 AromaticContact CE1-CE2 3.65Å; F146-F162 HydrophobicContact CE1-CE2 3.65Å; F146-F162 HydrophobicContact CE1-CZ 4.38Å; F146-F162 AromaticContact CZ-CD2 3.79Å; F146-F162 HydrophobicContact CZ-CD2 3.79Å; F146-F162 AromaticContact CZ-CE2 3.39Å; F146-F162 HydrophobicContact CZ-CE2 3.39Å; F146-F162 HydrophobicContact CZ-CZ 4.24Å; L152-F162 HydrophobicContact CD1-CE2 3.39Å; L152-F162 HydrophobicContact CD1-CZ 3.55Å; L152-F162 HydrophobicContact CD2-CD2 4.49Å; L152-F162 HydrophobicContact CD2-CE2 4.03Å; L152-F162 HydrophobicContact CG-CE2 4.34Å; H156-F162 WeakPolarHBondContact O-CB 3.5Å; H156-F162 WeakPolarHBondContact O-CD1 3.32Å; H156-F162 WeakPolarHBondContact O-CG 3.42Å; L157-F162 HydrophobicContact CD2-CD1 4.43Å; L157-F162 HydrophobicContact CD2-CE1 3.64Å; L157-F162 HydrophobicContact CD2-CZ 4.09Å; E159-F162 HydrophobicContact CB-CB 4.08Å; F162-T166 VanDerWaalsContact O-CB 3.28Å; F162-T166 WeakPolarHBondContact O-CB 3.34Å; F162-T166 PolarHBondContact O-N 3.44Å; F162-T166 PolarHBondContact O-OG1 2.99Å
163R73.2Confident75.5Confident53 Ų5353.6 Ų53.620%0.229%0.292CS..Hα-helixtrans-62.5-48.8178.5-69.5177.4-175.4-176-2111.2H134 L157 E159 S160 S161 T165 T166 M167H134-R163 PolarHBondContact O-NH1 2.97Å; L157-R163 PolarHBondContact O-NE 3.44Å; L157-R163 VanDerWaalsContact O-NE 3.16Å; L157-R163 PolarHBondContact O-NH2 3.34Å; E159-R163 WeakPolarHBondContact O-CG 3.28Å; E159-R163 PolarHBondContact O-N 3.45Å; S160-R163 PolarHBondContact O-N 3.29Å; S161-R163 VanDerWaalsContact C-N 3.34Å; S161-R163 PolarHBondContact O-N 2.7Å; R163-T165 PolarHBondContact O-N 2.98Å; R163-T166 PolarHBondContact O-N 3.31Å; R163-M167 WeakPolarHBondContact O-CB 3.21Å; R163-M167 WeakPolarHBondContact O-CG 3.41Å; R163-M167 PolarHBondContact O-N 3.17Å
164L75.4Confident75.5Confident111 Ų11151.6 Ų51.658%0.58128%0.276SS*.Hα-helixtrans-61.4-44.1179.3-71.1172.4000112.2S160 S161 M167 G168S160-L164 WeakPolarHBondContact O-CG 3.39Å; S160-L164 PolarHBondContact O-N 3.08Å; S161-L164 PolarHBondContact O-N 2.86Å; L164-M167 PolarHBondContact O-N 2.9Å; L164-G168 PolarHBondContact O-N 3.36Å
165T77Confident75.7Confident43 Ų4348 Ų4826%0.26426%0.255SS..Hα-helixtrans-66.9-44.6177.6-54.30000110.9F146 S161 R163 M167 G168 R169F146-T165 HydrophobicContact CD2-CG2 3.8Å; F146-T165 HydrophobicContact CE2-CG2 3.51Å; S161-T165 WeakPolarHBondContact O-CB 3.49Å; S161-T165 PolarHBondContact O-N 3.36Å; S161-T165 PolarHBondContact O-OG1 3.33Å; R163-T165 PolarHBondContact O-N 2.98Å; T165-M167 VanDerWaalsContact C-N 3.34Å; T165-M167 PolarHBondContact O-N 2.89Å; T165-G168 PolarHBondContact O-N 3.19Å; T165-R169 VanDerWaalsContact O-CG 3.3Å; T165-R169 WeakPolarHBondContact O-CG 3.38Å; T165-R169 PolarHBondContact O-N 2.91Å
166T76.8Confident76.2Confident39 Ų3952.5 Ų52.524%0.23926%0.263CS..Hα-helixtrans-58.7-46.4175.1-55.30000110.8F146 F162 R163 G168 R169 V170F146-T166 VanDerWaalsContact CZ-OG1 3.32Å; F146-T166 WeakPolarHBondContact CZ-OG1 3.31Å; F162-T166 VanDerWaalsContact O-CB 3.28Å; F162-T166 WeakPolarHBondContact O-CB 3.34Å; F162-T166 PolarHBondContact O-N 3.44Å; F162-T166 PolarHBondContact O-OG1 2.99Å; R163-T166 PolarHBondContact O-N 3.31Å; T166-G168 PolarHBondContact O-N 3.44Å; T166-R169 PolarHBondContact O-N 3.48Å; T166-V170 HydrophobicContact CG2-CG2 4.32Å; T166-V170 WeakPolarHBondContact O-CB 3.34Å; T166-V170 VanDerWaalsContact O-CG2 3.25Å; T166-V170 WeakPolarHBondContact O-CG2 3.25Å; T166-V170 PolarHBondContact O-N 2.82Å
167M73.9Confident76.7Confident21 Ų2150.9 Ų50.910%0.10326%0.255CS..Hα-helixtrans-58.8-48.3176.4-70.4162.388.300110.9F132 R163 L164 T165 R169 V170 V171 F205F132-M167 HydrophobicContact CB-CE 3.74Å; F132-M167 HydrophobicContact CB-SD 4.32Å; F132-M167 HydrophobicContact CD1-CE 3.7Å; F132-M167 HydrophobicContact CD1-CG 3.45Å; F132-M167 VanDerWaalsContact CD1-CG 3.45Å; F132-M167 HydrophobicContact CD1-SD 3.35Å; F132-M167 WeakPolarHBondContact CD1-SD 3.42Å; F132-M167 HydrophobicContact CD2-CE 4.39Å; F132-M167 HydrophobicContact CE1-CE 4.39Å; F132-M167 HydrophobicContact CE1-CG 3.24Å; F132-M167 HydrophobicContact CE1-SD 3.84Å; F132-M167 HydrophobicContact CG-CE 3.69Å; F132-M167 HydrophobicContact CG-CG 4.25Å; F132-M167 HydrophobicContact CG-SD 4Å; F132-M167 HydrophobicContact CZ-CG 3.9Å; R163-M167 WeakPolarHBondContact O-CB 3.21Å; R163-M167 WeakPolarHBondContact O-CG 3.41Å; R163-M167 PolarHBondContact O-N 3.17Å; L164-M167 PolarHBondContact O-N 2.9Å; T165-M167 VanDerWaalsContact C-N 3.34Å; T165-M167 PolarHBondContact O-N 2.89Å; M167-R169 VanDerWaalsContact C-N 3.34Å; M167-R169 PolarHBondContact O-N 2.97Å; M167-V170 PolarHBondContact O-N 2.88Å; M167-V171 VanDerWaalsContact O-CG2 3.29Å; M167-V171 WeakPolarHBondContact O-CG2 3.37Å; M167-V171 PolarHBondContact O-N 3.4Å; M167-F205 HydrophobicContact CB-CZ 4.04Å; M167-F205 HydrophobicContact CE-CD2 4.1Å; M167-F205 HydrophobicContact CE-CE2 3.22Å; M167-F205 HydrophobicContact CE-CZ 3.85Å; M167-F205 HydrophobicContact CG-CE2 4.38Å; M167-F205 HydrophobicContact CG-CZ 4.04Å
168G76.1Confident77.3Confident41 Ų4147.4 Ų47.442%0.42324%0.236SC..Hα-helixtrans-56.2-45.6176.800000112.6L164 T165 T166 V171 E172L164-G168 PolarHBondContact O-N 3.36Å; T165-G168 PolarHBondContact O-N 3.19Å; T166-G168 PolarHBondContact O-N 3.44Å; G168-V171 PolarHBondContact O-N 3.49Å; G168-E172 WeakPolarHBondContact O-CB 3.29Å; G168-E172 PolarHBondContact O-N 3.23Å
169R80.4Confident78Confident64 Ų6450.6 Ų50.624%0.24225%0.245CC..Hα-helixtrans-67.1-42.1178.2-62.5-67.2-85.6133.3-7.7112.1T165 T166 M167 V171 E172 Y173T165-R169 VanDerWaalsContact O-CG 3.3Å; T165-R169 WeakPolarHBondContact O-CG 3.38Å; T165-R169 PolarHBondContact O-N 2.91Å; T166-R169 PolarHBondContact O-N 3.48Å; M167-R169 VanDerWaalsContact C-N 3.34Å; M167-R169 PolarHBondContact O-N 2.97Å; R169-V171 VanDerWaalsContact C-N 3.32Å; R169-V171 PolarHBondContact O-N 3.12Å; R169-E172 IonicContact CZ-OE2 3.75Å; R169-E172 VanDerWaalsContact NH1-CD 3.29Å; R169-E172 IonicContact NH1-OE1 3.35Å; R169-E172 PolarHBondContact NH1-OE1 3.49Å; R169-E172 IonicContact NH1-OE2 2.71Å; R169-E172 PolarHBondContact NH1-OE2 3.42Å; R169-E172 PolarHBondContact O-N 3.11Å; R169-Y173 HydrophobicContact CB-CE2 4.33Å; R169-Y173 PolarHBondContact NH2-OH 3.45Å; R169-Y173 VanDerWaalsContact NH2-OH 3.11Å; R169-Y173 WeakPolarHBondContact O-CD2 3.11Å; R169-Y173 PolarHBondContact O-N 2.88Å
170V78.7Confident78.4Confident40 Ų4056 Ų5624%0.24227%0.273CS..Hα-helixtrans-59.9-44175.11690000110.6L127 T166 M167 Y173 M174L127-V170 HydrophobicContact CD2-CG1 4.44Å; T166-V170 HydrophobicContact CG2-CG2 4.32Å; T166-V170 WeakPolarHBondContact O-CB 3.34Å; T166-V170 VanDerWaalsContact O-CG2 3.25Å; T166-V170 WeakPolarHBondContact O-CG2 3.25Å; T166-V170 PolarHBondContact O-N 2.82Å; M167-V170 PolarHBondContact O-N 2.88Å; V170-Y173 PolarHBondContact O-N 3.3Å; V170-M174 HydrophobicContact CG1-CE 3.28Å; V170-M174 HydrophobicContact CG1-SD 4.16Å; V170-M174 WeakPolarHBondContact O-CB 3.06Å; V170-M174 VanDerWaalsContact O-CG 3.25Å; V170-M174 WeakPolarHBondContact O-CG 3.33Å; V170-M174 PolarHBondContact O-N 3.47Å
171V77.1Confident78.9Confident16 Ų1654.7 Ų54.710%0.09726%0.264CS..Hα-helixtrans-62-46.41751730000111.7M167 G168 R169 Y173 M174 Q175 F205 S208M167-V171 VanDerWaalsContact O-CG2 3.29Å; M167-V171 WeakPolarHBondContact O-CG2 3.37Å; M167-V171 PolarHBondContact O-N 3.4Å; G168-V171 PolarHBondContact O-N 3.49Å; R169-V171 VanDerWaalsContact C-N 3.32Å; R169-V171 PolarHBondContact O-N 3.12Å; V171-Y173 VanDerWaalsContact C-N 3.34Å; V171-Y173 PolarHBondContact O-N 2.96Å; V171-M174 WeakPolarHBondContact O-CB 3.43Å; V171-M174 PolarHBondContact O-N 3.48Å; V171-Q175 HydrophobicContact CG1-CG 4.32Å; V171-Q175 WeakPolarHBondContact O-CB 3.22Å; V171-Q175 VanDerWaalsContact O-CG 3.32Å; V171-Q175 WeakPolarHBondContact O-CG 3.42Å; V171-Q175 PolarHBondContact O-N 3.04Å; V171-F205 HydrophobicContact CG2-CD1 3.14Å; V171-F205 HydrophobicContact CG2-CE1 3.11Å; V171-F205 HydrophobicContact CG2-CG 4.26Å; V171-F205 HydrophobicContact CG2-CZ 4.22Å; V171-S208 VanDerWaalsContact CG1-CB 3.46Å
172E81.6Confident79.4Confident55 Ų5557.7 Ų57.726%0.25727%0.272SS..Hα-helixtrans-58.8-45.5178.4-173-163.8153.300111.3G168 R169 Q175 R176G168-E172 WeakPolarHBondContact O-CB 3.29Å; G168-E172 PolarHBondContact O-N 3.23Å; R169-E172 IonicContact CZ-OE2 3.75Å; R169-E172 VanDerWaalsContact NH1-CD 3.29Å; R169-E172 IonicContact NH1-OE1 3.35Å; R169-E172 PolarHBondContact NH1-OE1 3.49Å; R169-E172 IonicContact NH1-OE2 2.71Å; R169-E172 PolarHBondContact NH1-OE2 3.42Å; R169-E172 PolarHBondContact O-N 3.11Å; E172-Q175 WeakPolarHBondContact O-CB 3.19Å; E172-Q175 PolarHBondContact O-N 3.34Å; E172-R176 WeakPolarHBondContact O-CG 3.1Å; E172-R176 PolarHBondContact O-N 2.84Å; E172-R176 IonicContact OE1-CZ 3.15Å; E172-R176 IonicContact OE1-NE 2.61Å; E172-R176 IonicContact OE1-NH1 3.78Å; E172-R176 IonicContact OE1-NH2 2.69Å; E172-R176 PolarHBondContact OE1-NH2 2.66Å
173Y81.8Confident79.7Confident117 Ų11767.2 Ų67.246%0.45931%0.308SS..Hα-helixtrans-66.8-39176.8-71.3-56.3000112.4R169 V170 V171 R176 F177R169-Y173 HydrophobicContact CB-CE2 4.33Å; R169-Y173 PolarHBondContact NH2-OH 3.45Å; R169-Y173 VanDerWaalsContact NH2-OH 3.11Å; R169-Y173 WeakPolarHBondContact O-CD2 3.11Å; R169-Y173 PolarHBondContact O-N 2.88Å; V170-Y173 PolarHBondContact O-N 3.3Å; V171-Y173 VanDerWaalsContact C-N 3.34Å; V171-Y173 PolarHBondContact O-N 2.96Å; Y173-R176 PolarHBondContact O-N 3.11Å; Y173-F177 WeakPolarHBondContact O-CB 3.34Å; Y173-F177 PolarHBondContact O-N 3.47Å
174M78.8Confident80.1Confident12 Ų1266.2 Ų66.26%0.05931%0.309CS..Hα-helixtrans-62.4-42173.1-74.6174.2-172.200112L123 L127 V170 V171 F177 F178 V194 V198L123-M174 HydrophobicContact CD1-CE 3.84Å; L123-M174 HydrophobicContact CD1-CG 4.03Å; L123-M174 HydrophobicContact CD2-CE 3.21Å; L123-M174 HydrophobicContact CD2-SD 4.47Å; L123-M174 HydrophobicContact CG-CE 3.78Å; L127-M174 HydrophobicContact CD1-CE 3.4Å; L127-M174 VanDerWaalsContact CD1-CE 3.4Å; L127-M174 HydrophobicContact CD2-CE 4.15Å; L127-M174 HydrophobicContact CG-CE 4.02Å; V170-M174 HydrophobicContact CG1-CE 3.28Å; V170-M174 HydrophobicContact CG1-SD 4.16Å; V170-M174 WeakPolarHBondContact O-CB 3.06Å; V170-M174 VanDerWaalsContact O-CG 3.25Å; V170-M174 WeakPolarHBondContact O-CG 3.33Å; V170-M174 PolarHBondContact O-N 3.47Å; V171-M174 WeakPolarHBondContact O-CB 3.43Å; V171-M174 PolarHBondContact O-N 3.48Å; M174-F177 WeakPolarHBondContact O-CB 3.44Å; M174-F177 PolarHBondContact O-N 3.33Å; M174-F178 HydrophobicContact CB-CD2 4.46Å; M174-F178 HydrophobicContact CB-CE2 4.29Å; M174-F178 WeakPolarHBondContact O-CD2 3.31Å; M174-F178 PolarHBondContact O-N 3.09Å; M174-V194 HydrophobicContact CE-CG1 4.33Å; M174-V194 HydrophobicContact SD-CG1 4.11Å; M174-V198 HydrophobicContact CE-CG2 4.28Å; M174-V198 HydrophobicContact SD-CG2 4.13Å
175Q81.2Confident80.5Confident60 Ų6067.3 Ų67.328%0.2832%0.32SS..Hα-helixtrans-59.8-48.3176.1-77.3173.6-1800111.2V171 E172 F177 F178 Y179 I212V171-Q175 HydrophobicContact CG1-CG 4.32Å; V171-Q175 WeakPolarHBondContact O-CB 3.22Å; V171-Q175 VanDerWaalsContact O-CG 3.32Å; V171-Q175 WeakPolarHBondContact O-CG 3.42Å; V171-Q175 PolarHBondContact O-N 3.04Å; E172-Q175 WeakPolarHBondContact O-CB 3.19Å; E172-Q175 PolarHBondContact O-N 3.34Å; Q175-F177 VanDerWaalsContact C-N 3.29Å; Q175-F177 PolarHBondContact O-N 3.04Å; Q175-F178 PolarHBondContact O-N 2.61Å; Q175-Y179 WeakPolarHBondContact O-CB 3.49Å; Q175-Y179 PolarHBondContact O-N 3.21Å; Q175-I212 HydrophobicContact CB-CD1 4.44Å; Q175-I212 HydrophobicContact CB-CG1 4.43Å; Q175-I212 HydrophobicContact CG-CD1 3.56Å; Q175-I212 HydrophobicContact CG-CG1 3.69Å
176R83Confident80.6Confident138 Ų13866.6 Ų66.652%0.52132%0.317SS..Hα-helixtrans-60.4-41.9176.2-72.2-178180167.49.5111.7E172 Y173 Y179 I180E172-R176 WeakPolarHBondContact O-CG 3.1Å; E172-R176 PolarHBondContact O-N 2.84Å; E172-R176 IonicContact OE1-CZ 3.15Å; E172-R176 IonicContact OE1-NE 2.61Å; E172-R176 IonicContact OE1-NH1 3.78Å; E172-R176 IonicContact OE1-NH2 2.69Å; E172-R176 PolarHBondContact OE1-NH2 2.66Å; Y173-R176 PolarHBondContact O-N 3.11Å; R176-Y179 PolarHBondContact O-N 3.16Å; R176-I180 WeakPolarHBondContact O-CG1 3.4Å; R176-I180 PolarHBondContact O-N 3.45Å; R176-I180 VanDerWaalsContact O-N 3.11Å
177F81.9Confident80.9Confident28 Ų2865.4 Ų65.412%0.12331%0.308CS..Hα-helixtrans-58.5-53.7174.7-179.5-79.3000110.8R116 L120 Y173 M174 Q175 Y179 I180 N181R116-F177 HydrophobicContact CB-CE2 4.42Å; R116-F177 HydrophobicContact CG-CD2 4.48Å; R116-F177 HydrophobicContact CG-CE1 4.41Å; R116-F177 HydrophobicContact CG-CE2 3.3Å; R116-F177 HydrophobicContact CG-CZ 3.22Å; L120-F177 HydrophobicContact CD1-CE1 3.52Å; L120-F177 HydrophobicContact CD1-CE2 4.38Å; L120-F177 HydrophobicContact CD1-CZ 3.32Å; L120-F177 HydrophobicContact CD2-CD1 4Å; L120-F177 HydrophobicContact CD2-CE1 3.56Å; L120-F177 HydrophobicContact CD2-CE2 4.09Å; L120-F177 HydrophobicContact CD2-CZ 3.59Å; L120-F177 HydrophobicContact CG-CE1 3.73Å; L120-F177 HydrophobicContact CG-CE2 3.94Å; L120-F177 HydrophobicContact CG-CZ 3.31Å; Y173-F177 WeakPolarHBondContact O-CB 3.34Å; Y173-F177 PolarHBondContact O-N 3.47Å; M174-F177 WeakPolarHBondContact O-CB 3.44Å; M174-F177 PolarHBondContact O-N 3.33Å; Q175-F177 VanDerWaalsContact C-N 3.29Å; Q175-F177 PolarHBondContact O-N 3.04Å; F177-Y179 VanDerWaalsContact C-N 3.3Å; F177-Y179 PolarHBondContact O-N 2.91Å; F177-I180 PolarHBondContact O-N 3.16Å; F177-N181 WeakPolarHBondContact CD1-ND2 3.13Å; F177-N181 WeakPolarHBondContact CE1-ND2 3.22Å; F177-N181 PolarHBondContact O-N 3.44Å; F177-N181 VanDerWaalsContact O-N 3.12Å; F177-N181 PolarHBondContact O-ND2 3.12Å
178F82.8Confident81.2Confident5 Ų568.4 Ų68.42%0.02233%0.329CS..Hα-helixtrans-63.3-36.3-179.5-72.3-48.8000112.6M174 Q175 I180 N181 R182 F187 A191 V194 I212M174-F178 HydrophobicContact CB-CD2 4.46Å; M174-F178 HydrophobicContact CB-CE2 4.29Å; M174-F178 WeakPolarHBondContact O-CD2 3.31Å; M174-F178 PolarHBondContact O-N 3.09Å; Q175-F178 PolarHBondContact O-N 2.61Å; F178-I180 PolarHBondContact O-N 2.74Å; F178-N181 CarbonylContact O-C 3.59Å; F178-N181 WeakPolarHBondContact O-CA 3.41Å; F178-N181 PolarHBondContact O-N 3.03Å; F178-R182 PolarHBondContact O-N 3.05Å; F178-F187 HydrophobicContact CB-CE2 3.85Å; F178-F187 HydrophobicContact CB-CZ 4.37Å; F178-F187 HydrophobicContact CD1-CD2 4.4Å; F178-F187 AromaticContact CD1-CE2 3.68Å; F178-F187 HydrophobicContact CD1-CE2 3.68Å; F178-F187 HydrophobicContact CD1-CZ 4.42Å; F178-F187 HydrophobicContact CG-CE2 4.11Å; F178-A191 HydrophobicContact CD1-CB 4.22Å; F178-A191 HydrophobicContact CE1-CB 3.84Å; F178-A191 HydrophobicContact CZ-CB 4.35Å; F178-V194 HydrophobicContact CE2-CG1 4.25Å; F178-V194 HydrophobicContact CZ-CB 3.93Å; F178-V194 HydrophobicContact CZ-CG1 3.96Å; F178-V194 HydrophobicContact CZ-CG2 4.28Å; F178-I212 HydrophobicContact CB-CG2 3.82Å; F178-I212 HydrophobicContact CD2-CD1 4Å; F178-I212 HydrophobicContact CD2-CG2 4.23Å; F178-I212 HydrophobicContact CG-CG2 4.26Å
179Y83.7Confident81.4Confident131 Ų13173.2 Ų73.251%0.51434%0.341SS..Hα-helixtrans-58.2-46.3174.5-179.5-95.4000112.6Q175 R176 F177 N181 R182Q175-Y179 WeakPolarHBondContact O-CB 3.49Å; Q175-Y179 PolarHBondContact O-N 3.21Å; R176-Y179 PolarHBondContact O-N 3.16Å; F177-Y179 VanDerWaalsContact C-N 3.3Å; F177-Y179 PolarHBondContact O-N 2.91Å; Y179-N181 PolarHBondContact O-N 3.27Å; Y179-R182 WeakPolarHBondContact O-CG 3.07Å; Y179-R182 PolarHBondContact OH-NH2 2.61Å
180I82.6Confident81.3Confident133 Ų13371.3 Ų71.368%0.68234%0.335SS*.Hα-helixtrans-64.8-29.8176.2-65.3164.7000110.9R176 F177 F178R176-I180 WeakPolarHBondContact O-CG1 3.4Å; R176-I180 PolarHBondContact O-N 3.45Å; R176-I180 VanDerWaalsContact O-N 3.11Å; F177-I180 PolarHBondContact O-N 3.16Å; F178-I180 PolarHBondContact O-N 2.74Å
181N81.1Confident81.4Confident3 Ų369.5 Ų69.52%0.01633%0.325CS..Hα-helixtrans-94.7-6.5-174.8-74.6-75.5000115.5R116 F177 F178 Y179 R183 S184 F187R116-N181 WeakPolarHBondContact CD-OD1 3.33Å; R116-N181 PolarHBondContact NE-OD1 3.22Å; R116-N181 PolarHBondContact NH1-OD1 2.87Å; F177-N181 WeakPolarHBondContact CD1-ND2 3.13Å; F177-N181 WeakPolarHBondContact CE1-ND2 3.22Å; F177-N181 PolarHBondContact O-N 3.44Å; F177-N181 VanDerWaalsContact O-N 3.12Å; F177-N181 PolarHBondContact O-ND2 3.12Å; F178-N181 CarbonylContact O-C 3.59Å; F178-N181 WeakPolarHBondContact O-CA 3.41Å; F178-N181 PolarHBondContact O-N 3.03Å; Y179-N181 PolarHBondContact O-N 3.27Å; N181-R183 PolarHBondContact O-N 3.23Å; N181-R183 VanDerWaalsContact O-N 3.07Å; N181-S184 WeakPolarHBondContact O-CB 3.25Å; N181-S184 PolarHBondContact O-N 3.29Å; N181-F187 HydrophobicContact CB-CD2 4.08Å; N181-F187 WeakPolarHBondContact O-CD2 3.15Å
182R82.8Confident81.6Confident81 Ų8175.2 Ų75.231%0.30635%0.348SS..THydrogen-bonded Turntrans-57-30.7-170.574.1-173.8173.2-171.8-6.7114.5F178 Y179F178-R182 PolarHBondContact O-N 3.05Å; Y179-R182 WeakPolarHBondContact O-CG 3.07Å; Y179-R182 PolarHBondContact OH-NH2 2.61Å
183R83.5Confident81.5Confident221 Ų22175.2 Ų75.283%0.83435%0.353SS*.THydrogen-bonded Turntrans-90.10.2179.8-64.2-174.1177.5168.6-2.7113.5N181N181-R183 PolarHBondContact O-N 3.23Å; N181-R183 VanDerWaalsContact O-N 3.07Å
184S81.6Confident81.3Confident31 Ų3169.9 Ų69.922%0.21733%0.332CS..SBendtrans-78.3133.4177.9-174.60000109.2N181 S186 F187N181-S184 WeakPolarHBondContact O-CB 3.25Å; N181-S184 PolarHBondContact O-N 3.29Å; S184-S186 PolarHBondContact O-N 3.33Å; S184-F187 WeakPolarHBondContact O-CB 3.34Å; S184-F187 PolarHBondContact O-N 3.32Å
185V83.5Confident81.1Confident134 Ų13470 Ų7081%0.81233%0.333SS*.THydrogen-bonded Turntrans-56.7-32.917464.50000112.5F187 P188V185-F187 PolarHBondContact O-N 2.88Å; V185-P188 WeakPolarHBondContact O-CD 3.21Å
186S79.8Confident80.9Confident29 Ų2971.3 Ų71.320%0.20334%0.34CS..THydrogen-bonded Turntrans-77.11.5174.4-45.60000114.2S184 E189 L190S184-S186 PolarHBondContact O-N 3.33Å; S186-E189 PolarHBondContact O-N 2.73Å; S186-L190 WeakPolarHBondContact O-CB 3.39Å; S186-L190 VanDerWaalsContact O-CG 3.22Å; S186-L190 WeakPolarHBondContact O-CG 3.4Å; S186-L190 PolarHBondContact O-N 3.25Å
187F83Confident80.6Confident13 Ų1365.1 Ų65.16%0.05732%0.318CS..Hα-helixtrans-52.5-51.5-178.5179.2-106.2000113.8F178 N181 S184 V185 E189 L190 A191F178-F187 HydrophobicContact CB-CE2 3.85Å; F178-F187 HydrophobicContact CB-CZ 4.37Å; F178-F187 HydrophobicContact CD1-CD2 4.4Å; F178-F187 AromaticContact CD1-CE2 3.68Å; F178-F187 HydrophobicContact CD1-CE2 3.68Å; F178-F187 HydrophobicContact CD1-CZ 4.42Å; F178-F187 HydrophobicContact CG-CE2 4.11Å; N181-F187 HydrophobicContact CB-CD2 4.08Å; N181-F187 WeakPolarHBondContact O-CD2 3.15Å; S184-F187 WeakPolarHBondContact O-CB 3.34Å; S184-F187 PolarHBondContact O-N 3.32Å; V185-F187 PolarHBondContact O-N 2.88Å; F187-E189 VanDerWaalsContact C-N 3.29Å; F187-E189 PolarHBondContact O-N 2.82Å; F187-L190 PolarHBondContact O-N 3.15Å; F187-L190 VanDerWaalsContact O-N 3.13Å; F187-A191 HydrophobicContact CE1-CB 4.38Å; F187-A191 HydrophobicContact CE2-CB 4.35Å; F187-A191 HydrophobicContact CZ-CB 4.19Å; F187-A191 VanDerWaalsContact O-CB 3.3Å; F187-A191 WeakPolarHBondContact O-CB 3.36Å; F187-A191 PolarHBondContact O-N 2.88Å
188P81.3Confident80.1Confident84 Ų8464.2 Ų64.255%0.54531%0.314SS..Hα-helixtrans-58.2-40.9177.921-33.7000112.4V185 L190 A191 F192V185-P188 WeakPolarHBondContact O-CD 3.21Å; P188-L190 VanDerWaalsContact C-N 3.33Å; P188-L190 PolarHBondContact O-N 3.36Å; P188-A191 PolarHBondContact O-N 3.26Å; P188-F192 WeakPolarHBondContact O-CB 3.43Å; P188-F192 PolarHBondContact O-N 3.41Å
189E79.1Confident79.5Confident143 Ų14366.4 Ų66.467%0.66833%0.331SS*.Hα-helixtrans-66.5-33.3177.9-59.7174.7172.900112.8S186 F187 P193S186-E189 PolarHBondContact O-N 2.73Å; F187-E189 VanDerWaalsContact C-N 3.29Å; F187-E189 PolarHBondContact O-N 2.82Å; E189-P193 WeakPolarHBondContact O-CD 3.35Å
190L79.4Confident78.8Confident23 Ų2366.6 Ų66.612%0.1233%0.334CS..Hα-helixtrans-81.3-35.9178.8-66.5173.4000112.1N117 L120 S186 F187 P188N117-L190 VanDerWaalsContact OD1-CD2 3.31Å; N117-L190 WeakPolarHBondContact OD1-CD2 3.47Å; L120-L190 HydrophobicContact CD1-CB 4Å; L120-L190 HydrophobicContact CD1-CD2 3.71Å; L120-L190 HydrophobicContact CD1-CG 4.3Å; S186-L190 WeakPolarHBondContact O-CB 3.39Å; S186-L190 VanDerWaalsContact O-CG 3.22Å; S186-L190 WeakPolarHBondContact O-CG 3.4Å; S186-L190 PolarHBondContact O-N 3.25Å; F187-L190 PolarHBondContact O-N 3.15Å; F187-L190 VanDerWaalsContact O-N 3.13Å; P188-L190 VanDerWaalsContact C-N 3.33Å; P188-L190 PolarHBondContact O-N 3.36Å
191A80.1Confident78.1Confident3 Ų361.1 Ų61.13%0.02531%0.306CS..Hα-helixtrans-74.9-50.3-178.700000110.6F178 F187 P188 V194 L195F178-A191 HydrophobicContact CD1-CB 4.22Å; F178-A191 HydrophobicContact CE1-CB 3.84Å; F178-A191 HydrophobicContact CZ-CB 4.35Å; F187-A191 HydrophobicContact CE1-CB 4.38Å; F187-A191 HydrophobicContact CE2-CB 4.35Å; F187-A191 HydrophobicContact CZ-CB 4.19Å; F187-A191 VanDerWaalsContact O-CB 3.3Å; F187-A191 WeakPolarHBondContact O-CB 3.36Å; F187-A191 PolarHBondContact O-N 2.88Å; P188-A191 PolarHBondContact O-N 3.26Å; A191-V194 PolarHBondContact O-N 2.92Å; A191-V194 VanDerWaalsContact O-N 3.11Å; A191-L195 HydrophobicContact CB-CD1 3.79Å; A191-L195 HydrophobicContact CB-CG 4.16Å; A191-L195 VanDerWaalsContact O-CB 3.25Å; A191-L195 WeakPolarHBondContact O-CB 3.34Å; A191-L195 WeakPolarHBondContact O-CG 3.15Å; A191-L195 PolarHBondContact O-N 2.97Å
192F82Confident77.3Confident136 Ų13662 Ų6260%0.59632%0.316SS*.Hα-helixtrans-51.7-48.8-168.3-176.6-92.8000115.3P188 V194 L195 E196P188-F192 WeakPolarHBondContact O-CB 3.43Å; P188-F192 PolarHBondContact O-N 3.41Å; F192-V194 PolarHBondContact O-N 3.49Å; F192-L195 WeakPolarHBondContact O-CB 3.37Å; F192-L195 PolarHBondContact O-N 3.44Å; F192-E196 WeakPolarHBondContact O-CB 3.26Å; F192-E196 PolarHBondContact O-N 2.82Å
193P79.2Confident76.2Confident55 Ų5566.8 Ų66.836%0.35734%0.339SS..Hα-helixtrans-66.4-37.8-178.6-20.233.3000113E189 A197E189-P193 WeakPolarHBondContact O-CD 3.35Å; P193-A197 WeakPolarHBondContact O-CB 3.25Å; P193-A197 PolarHBondContact O-N 3.43Å
194V76.9Confident74.9Confident4 Ų460 Ų602%0.02432%0.324CS..Hα-helixtrans-69.3-43.7177.5-179.50000109.6L120 L123 M174 F178 A191 F192 E196 A197 V198L120-V194 HydrophobicContact CD2-CG2 4.1Å; L123-V194 HydrophobicContact CD2-CG1 4.22Å; M174-V194 HydrophobicContact CE-CG1 4.33Å; M174-V194 HydrophobicContact SD-CG1 4.11Å; F178-V194 HydrophobicContact CE2-CG1 4.25Å; F178-V194 HydrophobicContact CZ-CB 3.93Å; F178-V194 HydrophobicContact CZ-CG1 3.96Å; F178-V194 HydrophobicContact CZ-CG2 4.28Å; A191-V194 PolarHBondContact O-N 2.92Å; A191-V194 VanDerWaalsContact O-N 3.11Å; F192-V194 PolarHBondContact O-N 3.49Å; V194-E196 VanDerWaalsContact C-N 3.34Å; V194-E196 PolarHBondContact O-N 3.32Å; V194-A197 PolarHBondContact O-N 3.45Å; V194-V198 HydrophobicContact CG1-CG2 4.09Å; V194-V198 WeakPolarHBondContact O-CB 3.44Å; V194-V198 WeakPolarHBondContact O-CG2 3.39Å; V194-V198 PolarHBondContact O-N 3.06Å
195L75.7Confident73.8Confident14 Ų1458.8 Ų58.87%0.07331%0.314CS..Hα-helixtrans-56.9-47.6176.2-75.5-174.8000110.8A191 F192 V198 S199 F209 M213A191-L195 HydrophobicContact CB-CD1 3.79Å; A191-L195 HydrophobicContact CB-CG 4.16Å; A191-L195 VanDerWaalsContact O-CB 3.25Å; A191-L195 WeakPolarHBondContact O-CB 3.34Å; A191-L195 WeakPolarHBondContact O-CG 3.15Å; A191-L195 PolarHBondContact O-N 2.97Å; F192-L195 WeakPolarHBondContact O-CB 3.37Å; F192-L195 PolarHBondContact O-N 3.44Å; L195-V198 PolarHBondContact O-N 3.34Å; L195-S199 WeakPolarHBondContact O-CB 3.49Å; L195-S199 PolarHBondContact O-N 3.38Å; L195-F209 HydrophobicContact CB-CD2 4.03Å; L195-F209 HydrophobicContact CB-CE2 3.09Å; L195-F209 HydrophobicContact CB-CZ 3.49Å; L195-F209 VanDerWaalsContact CB-CZ 3.49Å; L195-F209 HydrophobicContact CD1-CE1 4.34Å; L195-F209 HydrophobicContact CD1-CE2 3.96Å; L195-F209 HydrophobicContact CD1-CZ 3.68Å; L195-F209 HydrophobicContact CD2-CD1 4.33Å; L195-F209 HydrophobicContact CD2-CD2 3.13Å; L195-F209 HydrophobicContact CD2-CE1 4.21Å; L195-F209 HydrophobicContact CD2-CE2 3.08Å; L195-F209 HydrophobicContact CD2-CG 3.8Å; L195-F209 HydrophobicContact CD2-CZ 3.61Å; L195-F209 HydrophobicContact CG-CD2 4.01Å; L195-F209 HydrophobicContact CG-CE2 3.42Å; L195-F209 VanDerWaalsContact CG-CE2 3.42Å; L195-F209 HydrophobicContact CG-CZ 3.71Å; L195-F209 WeakPolarHBondContact O-CE2 3.23Å; L195-M213 HydrophobicContact CD1-SD 3.93Å
196E76.8Confident72.5Confident89 Ų8955.3 Ų55.342%0.41629%0.289SS..Hα-helixtrans-63.1-45.6176.6-165.4-166.9155.300112.4F192 V194 V198 S199 K200F192-E196 WeakPolarHBondContact O-CB 3.26Å; F192-E196 PolarHBondContact O-N 2.82Å; V194-E196 VanDerWaalsContact C-N 3.34Å; V194-E196 PolarHBondContact O-N 3.32Å; E196-V198 VanDerWaalsContact C-N 3.32Å; E196-V198 PolarHBondContact O-N 3.3Å; E196-S199 WeakPolarHBondContact O-CB 3.42Å; E196-S199 PolarHBondContact O-N 3.36Å; E196-K200 WeakPolarHBondContact O-CG 3.35Å; E196-K200 PolarHBondContact O-N 3.43Å; E196-K200 WeakPolarHBondContact OE1-CE 3.47Å; E196-K200 IonicContact OE1-NZ 2.93Å; E196-K200 PolarHBondContact OE1-NZ 2.86Å
197A75.3Confident71.4Confident8 Ų860.5 Ų60.57%0.06631%0.314CS..Hα-helixtrans-63-39.7178.400000112.2P193 V194 K200P193-A197 WeakPolarHBondContact O-CB 3.25Å; P193-A197 PolarHBondContact O-N 3.43Å; V194-A197 PolarHBondContact O-N 3.45Å; A197-K200 PolarHBondContact O-N 3.41Å
198V72Confident70.3Confident8 Ų861.5 Ų61.55%0.04832%0.323CS..Hα-helixtrans-69.1-39.8178.9165.90000111.6L127 M174 V194 L195 E196 K200 N201 F205L127-V198 HydrophobicContact CD1-CG2 3.52Å; M174-V198 HydrophobicContact CE-CG2 4.28Å; M174-V198 HydrophobicContact SD-CG2 4.13Å; V194-V198 HydrophobicContact CG1-CG2 4.09Å; V194-V198 WeakPolarHBondContact O-CB 3.44Å; V194-V198 WeakPolarHBondContact O-CG2 3.39Å; V194-V198 PolarHBondContact O-N 3.06Å; L195-V198 PolarHBondContact O-N 3.34Å; E196-V198 VanDerWaalsContact C-N 3.32Å; E196-V198 PolarHBondContact O-N 3.3Å; V198-K200 VanDerWaalsContact C-N 3.26Å; V198-K200 PolarHBondContact O-N 3.42Å; V198-N201 PolarHBondContact O-N 3.3Å; V198-F205 HydrophobicContact CG1-CB 3.25Å; V198-F205 HydrophobicContact CG1-CD1 3.44Å; V198-F205 VanDerWaalsContact CG1-CD1 3.44Å; V198-F205 HydrophobicContact CG1-CD2 4.49Å; V198-F205 HydrophobicContact CG1-CE1 4.38Å; V198-F205 HydrophobicContact CG1-CG 3.54Å; V198-F205 HydrophobicContact CG2-CD1 4.46Å
199S70Confident69.2Low52 Ų5259.6 Ų59.636%0.36431%0.306SS..Hα-helixtrans-56.9-39.7175.5174.90000112.4L195 E196 N201 Q206L195-S199 WeakPolarHBondContact O-CB 3.49Å; L195-S199 PolarHBondContact O-N 3.38Å; E196-S199 WeakPolarHBondContact O-CB 3.42Å; E196-S199 PolarHBondContact O-N 3.36Å; S199-N201 VanDerWaalsContact C-N 3.28Å; S199-N201 PolarHBondContact O-N 3.04Å; S199-Q206 VanDerWaalsContact CA-NE2 3.26Å; S199-Q206 VanDerWaalsContact CB-NE2 3.32Å; S199-Q206 PolarHBondContact O-NE2 2.93Å; S199-Q206 PolarHBondContact OG-NE2 2.77Å
200K69.5Low68.5Low135 Ų13560 Ų6059%0.58731%0.305SS*.Hα-helixtrans-68.6-23.6177.3-67.9172.6-175.5169.10113.4E196 A197 V198E196-K200 WeakPolarHBondContact O-CG 3.35Å; E196-K200 PolarHBondContact O-N 3.43Å; E196-K200 WeakPolarHBondContact OE1-CE 3.47Å; E196-K200 IonicContact OE1-NZ 2.93Å; E196-K200 PolarHBondContact OE1-NZ 2.86Å; A197-K200 PolarHBondContact O-N 3.41Å; V198-K200 VanDerWaalsContact C-N 3.26Å; V198-K200 PolarHBondContact O-N 3.42Å
201N67.9Low67.8Low18 Ų1864.1 Ų64.110%0.09633%0.325CS..THydrogen-bonded Turntrans-93.71.6-172.2-78-17.7000115.3L127 F132 V198 S199 F205L127-N201 PolarHBondContact O-ND2 3.33Å; F132-N201 HydrophobicContact CD2-CB 4.04Å; V198-N201 PolarHBondContact O-N 3.3Å; S199-N201 VanDerWaalsContact C-N 3.28Å; S199-N201 PolarHBondContact O-N 3.04Å; N201-F205 HydrophobicContact CB-CE2 4.3Å
202G64.1Low66.8Low21 Ų2165.1 Ų65.122%0.21633%0.33CS..  trans130.9168.8165.500000117P204G202-P204 VanDerWaalsContact C-CD 3.49Å
203K58.7Low65.9Low182 Ų18262.9 Ų62.979%0.79132%0.322SS*.Hα-helixtrans-60-38.7-175-66.2-175.7179.9-1800117.5F205 Q206K203-F205 PolarHBondContact O-N 2.87Å; K203-Q206 WeakPolarHBondContact O-CB 3.34Å; K203-Q206 PolarHBondContact O-N 3.47Å; K203-Q206 VanDerWaalsContact O-N 3.11Å
204P57.1Low65.2Low79 Ų7970.4 Ų70.451%0.51334%0.344SS..Hα-helixtrans-64.4-28.4-176.724.3-33.4000112.4G202G202-P204 VanDerWaalsContact C-CD 3.49Å
205F59Low64.2Low4 Ų476 Ų762%0.01837%0.368CS..Hα-helixtrans-69.9-36.7175.1-72.5-81.9000113.3M167 V171 V198 N201 K203 L207 S208 F209M167-F205 HydrophobicContact CB-CZ 4.04Å; M167-F205 HydrophobicContact CE-CD2 4.1Å; M167-F205 HydrophobicContact CE-CE2 3.22Å; M167-F205 HydrophobicContact CE-CZ 3.85Å; M167-F205 HydrophobicContact CG-CE2 4.38Å; M167-F205 HydrophobicContact CG-CZ 4.04Å; V171-F205 HydrophobicContact CG2-CD1 3.14Å; V171-F205 HydrophobicContact CG2-CE1 3.11Å; V171-F205 HydrophobicContact CG2-CG 4.26Å; V171-F205 HydrophobicContact CG2-CZ 4.22Å; V198-F205 HydrophobicContact CG1-CB 3.25Å; V198-F205 HydrophobicContact CG1-CD1 3.44Å; V198-F205 VanDerWaalsContact CG1-CD1 3.44Å; V198-F205 HydrophobicContact CG1-CD2 4.49Å; V198-F205 HydrophobicContact CG1-CE1 4.38Å; V198-F205 HydrophobicContact CG1-CG 3.54Å; V198-F205 HydrophobicContact CG2-CD1 4.46Å; N201-F205 HydrophobicContact CB-CE2 4.3Å; K203-F205 PolarHBondContact O-N 2.87Å; F205-L207 VanDerWaalsContact C-N 3.31Å; F205-L207 PolarHBondContact O-N 3.42Å; F205-S208 PolarHBondContact O-N 2.96Å; F205-F209 WeakPolarHBondContact O-CB 3.49Å; F205-F209 PolarHBondContact O-N 3.16Å
206Q56.8Low63Low62 Ų6281.2 Ų81.229%0.2941%0.406SS..Hα-helixtrans-60.7-36.1-178.7-64.7-77.70.400112.9S199 K203 F209 K210S199-Q206 VanDerWaalsContact CA-NE2 3.26Å; S199-Q206 VanDerWaalsContact CB-NE2 3.32Å; S199-Q206 PolarHBondContact O-NE2 2.93Å; S199-Q206 PolarHBondContact OG-NE2 2.77Å; K203-Q206 WeakPolarHBondContact O-CB 3.34Å; K203-Q206 PolarHBondContact O-N 3.47Å; K203-Q206 VanDerWaalsContact O-N 3.11Å; Q206-F209 WeakPolarHBondContact O-CB 3.29Å; Q206-K210 PolarHBondContact O-N 3.23Å
207L56.3Low62.3Low137 Ų13780.9 Ų80.972%0.71741%0.405SS*.Hα-helixtrans-69.7-47.5176.7-92.9114.1000111.9F205 F209 K210 M211F205-L207 VanDerWaalsContact C-N 3.31Å; F205-L207 PolarHBondContact O-N 3.42Å; L207-F209 PolarHBondContact O-N 3.02Å; L207-K210 PolarHBondContact O-N 3.38Å; L207-M211 PolarHBondContact O-N 3.04Å
208S59.8Low61.6Low35 Ų3584.7 Ų84.725%0.24542%0.423CS..Hα-helixtrans-61.8-34176-65.80000112V171 F205 M211 I212V171-S208 VanDerWaalsContact CG1-CB 3.46Å; F205-S208 PolarHBondContact O-N 2.96Å; S208-M211 WeakPolarHBondContact O-CB 3.17Å; S208-M211 PolarHBondContact O-N 3.35Å; S208-I212 WeakPolarHBondContact O-CG1 3.47Å; S208-I212 PolarHBondContact O-N 3.31Å
209F58.2Low61Low44 Ų4488.9 Ų88.919%0.19344%0.444CS..Hα-helixtrans-67.5-48.8176.3177.6-66000113L195 F205 Q206 L207 M211 I212 M213L195-F209 HydrophobicContact CB-CD2 4.03Å; L195-F209 HydrophobicContact CB-CE2 3.09Å; L195-F209 HydrophobicContact CB-CZ 3.49Å; L195-F209 VanDerWaalsContact CB-CZ 3.49Å; L195-F209 HydrophobicContact CD1-CE1 4.34Å; L195-F209 HydrophobicContact CD1-CE2 3.96Å; L195-F209 HydrophobicContact CD1-CZ 3.68Å; L195-F209 HydrophobicContact CD2-CD1 4.33Å; L195-F209 HydrophobicContact CD2-CD2 3.13Å; L195-F209 HydrophobicContact CD2-CE1 4.21Å; L195-F209 HydrophobicContact CD2-CE2 3.08Å; L195-F209 HydrophobicContact CD2-CG 3.8Å; L195-F209 HydrophobicContact CD2-CZ 3.61Å; L195-F209 HydrophobicContact CG-CD2 4.01Å; L195-F209 HydrophobicContact CG-CE2 3.42Å; L195-F209 VanDerWaalsContact CG-CE2 3.42Å; L195-F209 HydrophobicContact CG-CZ 3.71Å; L195-F209 WeakPolarHBondContact O-CE2 3.23Å; F205-F209 WeakPolarHBondContact O-CB 3.49Å; F205-F209 PolarHBondContact O-N 3.16Å; Q206-F209 WeakPolarHBondContact O-CB 3.29Å; L207-F209 PolarHBondContact O-N 3.02Å; F209-M211 PolarHBondContact O-N 3.24Å; F209-I212 PolarHBondContact O-N 2.9Å; F209-I212 VanDerWaalsContact O-N 3.08Å; F209-M213 HydrophobicContact CD1-CG 4.37Å; F209-M213 HydrophobicContact CE1-CG 4.11Å; F209-M213 PolarHBondContact O-N 3.3Å
210K64.9Low60.5Low151 Ų15191.1 Ų91.166%0.65745%0.448SS*.Hα-helixtrans-58.2-31.9176.5-82.4-176.5177.2-177.90111.2Q206 L207 R214Q206-K210 PolarHBondContact O-N 3.23Å; L207-K210 PolarHBondContact O-N 3.38Å; K210-R214 WeakPolarHBondContact O-CG 3.44Å; K210-R214 PolarHBondContact O-N 3.34Å
211M63Low59.9Low109 Ų10988.4 Ų88.454%0.53744%0.44SS..Hα-helixtrans-70.1-41.1176.1-158.9-177.4-175.600112.5L207 S208 F209 M213 R214 F215L207-M211 PolarHBondContact O-N 3.04Å; S208-M211 WeakPolarHBondContact O-CB 3.17Å; S208-M211 PolarHBondContact O-N 3.35Å; F209-M211 PolarHBondContact O-N 3.24Å; M211-M213 PolarHBondContact O-N 3.23Å; M211-R214 PolarHBondContact O-N 2.94Å; M211-F215 HydrophobicContact CE-CE2 4.46Å; M211-F215 HydrophobicContact CE-CZ 4.49Å; M211-F215 HydrophobicContact CG-CE2 4.07Å; M211-F215 WeakPolarHBondContact O-CD2 3.22Å; M211-F215 WeakPolarHBondContact O-CE2 3.41Å
212I60.7Low59.4Low24 Ų2493.1 Ų93.112%0.12346%0.463CS..Hα-helixtrans-60.7-45.3176.8-66.8158.2000111.1Q175 F178 S208 F209 R214 F215Q175-I212 HydrophobicContact CB-CD1 4.44Å; Q175-I212 HydrophobicContact CB-CG1 4.43Å; Q175-I212 HydrophobicContact CG-CD1 3.56Å; Q175-I212 HydrophobicContact CG-CG1 3.69Å; F178-I212 HydrophobicContact CB-CG2 3.82Å; F178-I212 HydrophobicContact CD2-CD1 4Å; F178-I212 HydrophobicContact CD2-CG2 4.23Å; F178-I212 HydrophobicContact CG-CG2 4.26Å; S208-I212 WeakPolarHBondContact O-CG1 3.47Å; S208-I212 PolarHBondContact O-N 3.31Å; F209-I212 PolarHBondContact O-N 2.9Å; F209-I212 VanDerWaalsContact O-N 3.08Å; I212-R214 VanDerWaalsContact C-N 3.25Å; I212-R214 PolarHBondContact O-N 2.98Å; I212-F215 PolarHBondContact O-N 3.47Å; I212-F215 VanDerWaalsContact O-N 3.17Å
213M62.3Low59Low89 Ų8998.2 Ų98.244%0.43848%0.48SS..Hα-helixtrans-69-21.1-178.7-69.5-64.4-70.200113.4L195 F209 M211 F215 S216L195-M213 HydrophobicContact CD1-SD 3.93Å; F209-M213 HydrophobicContact CD1-CG 4.37Å; F209-M213 HydrophobicContact CE1-CG 4.11Å; F209-M213 PolarHBondContact O-N 3.3Å; M211-M213 PolarHBondContact O-N 3.23Å; M213-F215 PolarHBondContact O-N 2.71Å; M213-S216 PolarHBondContact O-N 3.01Å
214R63.7Low59.1Low214 Ų21491.8 Ų91.881%0.80846%0.456SS*.THydrogen-bonded Turntrans-72.1-13.7173.5-79.7-177.5177.7-173.4-1113.8K210 M211 I212K210-R214 WeakPolarHBondContact O-CG 3.44Å; K210-R214 PolarHBondContact O-N 3.34Å; M211-R214 PolarHBondContact O-N 2.94Å; I212-R214 VanDerWaalsContact C-N 3.25Å; I212-R214 PolarHBondContact O-N 2.98Å
215F55.7Low59.2Low122 Ų12292.8 Ų92.854%0.53545%0.452SS..THydrogen-bonded Turntrans-970.1177.9-66.9-70.3000113.9M211 I212 M213M211-F215 HydrophobicContact CE-CE2 4.46Å; M211-F215 HydrophobicContact CE-CZ 4.49Å; M211-F215 HydrophobicContact CG-CE2 4.07Å; M211-F215 WeakPolarHBondContact O-CD2 3.22Å; M211-F215 WeakPolarHBondContact O-CE2 3.41Å; I212-F215 PolarHBondContact O-N 3.47Å; I212-F215 VanDerWaalsContact O-N 3.17Å; M213-F215 PolarHBondContact O-N 2.71Å
216S50.3Low59.2Low123 Ų123100.9 Ų100.986%0.8649%0.491SS*.  trans-85.10166.9-174.10000110.2M213M213-S216 PolarHBondContact O-N 3.01Å

Retrieved 216 of 216 residues in 203.9 ms (Link to these results)

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