A0A087X2F7_HUMAN Loading...

ETS transcription factor ELK4

AlphaFold DB , UniProt , Accession A0A087X2F7, Species HUMAN (Homo sapiens, Human), Gene ELK4, Length 144 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
1M46.3Very low82.9Confident223 Ų22362.2 Ų62.2100%1.09936%0.36SS*.  0117.40-74.7-175.6-167.600107.2S3M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.15Å; M1-S3 PolarHBondContact O-OG 3.11Å
2D54.9Low83.9Confident127 Ų12758.1 Ų58.168%0.67934%0.336SS*.  trans-72.590.5-179-46.3-62.7000109.4A4 R48D2-A4 PolarHBondContact O-N 3.12Å; D2-R48 PolarHBondContact O-NH1 3.35Å; D2-R48 PolarHBondContact O-NH2 3.37Å
3S62.4Low84.8Confident105 Ų10559.8 Ų59.873%0.73434%0.339SS*.THydrogen-bonded Turntrans-66-15.2-177.9-600000113M1M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 3.15Å; M1-S3 PolarHBondContact O-OG 3.11Å
4A82.8Confident85.6Confident87 Ų8756.6 Ų56.672%0.71932%0.32SS*.THydrogen-bonded Turntrans-99.410.8-172.300000115.6D2 T6D2-A4 PolarHBondContact O-N 3.12Å; A4-T6 PolarHBondContact O-N 3.32Å
5I91.9Very high86.3Confident18 Ų1853.8 Ų53.89%0.09230%0.304CS..  trans-62.9136.1-179.9-161.9169.5000111.7Q9 F10 W45 R48 K49I5-Q9 HydrophobicContact CD1-CB 4.44Å; I5-Q9 HydrophobicContact CG1-CB 3.9Å; I5-F10 HydrophobicContact CD1-CB 4.01Å; I5-F10 HydrophobicContact CG1-CB 4.36Å; I5-W45 HydrophobicContact CG2-CH2 4.38Å; I5-W45 HydrophobicContact CG2-CZ3 4.01Å; I5-R48 HydrophobicContact CG2-CG 3.89Å; I5-K49 HydrophobicContact CG2-CD 4.23Å; I5-K49 PolarHBondContact O-NZ 3.02Å
6T94.1Very high86.8Confident47 Ų4758.4 Ų58.429%0.28832%0.322SS..  trans-94.9162.117365.30000111.4A4 W8 Q9 F10A4-T6 PolarHBondContact O-N 3.32Å; T6-W8 VanDerWaalsContact C-N 3.33Å; T6-W8 PolarHBondContact O-N 3.36Å; T6-W8 PolarHBondContact OG1-NE1 2.89Å; T6-Q9 PolarHBondContact O-N 3.4Å; T6-Q9 VanDerWaalsContact OG1-CG 3.31Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.37Å; T6-Q9 PolarHBondContact OG1-OE1 3.46Å; T6-F10 WeakPolarHBondContact O-CB 2.88Å; T6-F10 PolarHBondContact O-N 2.99Å
7L95.8Very high87.1Confident5 Ų560.2 Ų60.23%0.02633%0.326CS..Hα-helixtrans-61.8-39.6-178.7173.365.4000112.2Q9 F10 L11 W45 L59 A62 L63 Y66L7-Q9 PolarHBondContact O-N 2.85Å; L7-F10 HydrophobicContact CD1-CD1 4.17Å; L7-F10 WeakPolarHBondContact O-CB 3.3Å; L7-F10 PolarHBondContact O-N 3.14Å; L7-L11 HydrophobicContact CD1-CD1 4.16Å; L7-L11 HydrophobicContact CD1-CD2 4.34Å; L7-L11 HydrophobicContact CD1-CG 3.99Å; L7-L11 HydrophobicContact CG-CD1 4.07Å; L7-L11 HydrophobicContact CG-CG 4.32Å; L7-L11 VanDerWaalsContact O-CG 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.34Å; L7-L11 PolarHBondContact O-N 2.63Å; L7-W45 HydrophobicContact CB-CH2 4.22Å; L7-W45 HydrophobicContact CB-CZ2 3.91Å; L7-W45 HydrophobicContact CD1-CD2 3.87Å; L7-W45 HydrophobicContact CD1-CE3 4.32Å; L7-W45 HydrophobicContact CD1-CG 4Å; L7-L59 HydrophobicContact CD1-CD1 3.91Å; L7-L59 HydrophobicContact CD1-CG 3.98Å; L7-L59 HydrophobicContact CD2-CD2 4.24Å; L7-L59 HydrophobicContact CD2-CG 3.98Å; L7-A62 HydrophobicContact CD2-CB 3.61Å; L7-L63 HydrophobicContact CD2-CD2 4.22Å; L7-L63 HydrophobicContact CD2-CG 4.34Å; L7-Y66 HydrophobicContact CB-CE2 4.1Å; L7-Y66 WeakPolarHBondContact CB-OH 3.5Å; L7-Y66 HydrophobicContact CD2-CE2 4.11Å; L7-Y66 HydrophobicContact CG-CE2 4.23Å; L7-Y66 PolarHBondContact N-OH 3Å
8W95.4Very high87.3Confident13 Ų1361.7 Ų61.75%0.04934%0.339CS..Hα-helixtrans-67.1-40-177.372-99.5000111.4T6 F10 L11 L12 Y66 I71 I72 F84 I90 P95 V98T6-W8 VanDerWaalsContact C-N 3.33Å; T6-W8 PolarHBondContact O-N 3.36Å; T6-W8 PolarHBondContact OG1-NE1 2.89Å; W8-F10 VanDerWaalsContact C-N 3.35Å; W8-L11 PolarHBondContact O-N 2.89Å; W8-L12 HydrophobicContact CZ3-CD2 4.31Å; W8-L12 WeakPolarHBondContact O-CB 3.34Å; W8-L12 PolarHBondContact O-N 3.11Å; W8-Y66 HydrophobicContact CB-CE2 3.93Å; W8-Y66 AromaticContact CD1-CZ 3.93Å; W8-Y66 PolarHBondContact N-OH 3.5Å; W8-I71 HydrophobicContact CB-CG2 3.97Å; W8-I71 HydrophobicContact CD2-CG2 4.4Å; W8-I71 HydrophobicContact CG-CG2 3.95Å; W8-I72 HydrophobicContact CB-CD1 4.24Å; W8-F84 HydrophobicContact CB-CE1 4.16Å; W8-F84 HydrophobicContact CE3-CE1 4.45Å; W8-I90 HydrophobicContact CD2-CD1 4.37Å; W8-I90 HydrophobicContact CE3-CD1 3.77Å; W8-I90 HydrophobicContact CE3-CG1 4.08Å; W8-I90 HydrophobicContact CH2-CG1 4.17Å; W8-I90 HydrophobicContact CZ3-CD1 3.91Å; W8-I90 HydrophobicContact CZ3-CG1 3.67Å; W8-P95 HydrophobicContact CZ2-CB 4.29Å; W8-V98 HydrophobicContact CH2-CG2 4.09Å; W8-V98 HydrophobicContact CZ2-CB 4.02Å; W8-V98 HydrophobicContact CZ2-CG1 4Å; W8-V98 HydrophobicContact CZ2-CG2 3.9Å
9Q95Very high87.7Confident48 Ų4864.5 Ų64.522%0.22435%0.35CS..Hα-helixtrans-62.8-42.9173.3-70.1166.6-43.100111.4I5 T6 L7 L12 Q13I5-Q9 HydrophobicContact CD1-CB 4.44Å; I5-Q9 HydrophobicContact CG1-CB 3.9Å; T6-Q9 PolarHBondContact O-N 3.4Å; T6-Q9 VanDerWaalsContact OG1-CG 3.31Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.37Å; T6-Q9 PolarHBondContact OG1-OE1 3.46Å; L7-Q9 PolarHBondContact O-N 2.85Å; Q9-L12 WeakPolarHBondContact O-CB 3.11Å; Q9-L12 PolarHBondContact O-N 3.44Å; Q9-Q13 WeakPolarHBondContact O-CB 3.22Å; Q9-Q13 PolarHBondContact O-N 2.72Å
10F96.2Very high88Confident11 Ų1162.3 Ų62.35%0.04834%0.337CS..Hα-helixtrans-61.2-47.2177.5169.9-102.5000112.2I5 T6 L7 W8 L12 Q13 L14 V41 L44 W45 R48I5-F10 HydrophobicContact CD1-CB 4.01Å; I5-F10 HydrophobicContact CG1-CB 4.36Å; T6-F10 WeakPolarHBondContact O-CB 2.88Å; T6-F10 PolarHBondContact O-N 2.99Å; L7-F10 HydrophobicContact CD1-CD1 4.17Å; L7-F10 WeakPolarHBondContact O-CB 3.3Å; L7-F10 PolarHBondContact O-N 3.14Å; W8-F10 VanDerWaalsContact C-N 3.35Å; F10-L12 VanDerWaalsContact C-N 3.3Å; F10-L12 PolarHBondContact O-N 3.27Å; F10-Q13 WeakPolarHBondContact O-CB 3.13Å; F10-Q13 PolarHBondContact O-N 3.07Å; F10-L14 HydrophobicContact CD1-CD1 4.29Å; F10-L14 HydrophobicContact CE1-CD1 3.53Å; F10-L14 HydrophobicContact CE1-CG 4.13Å; F10-L14 HydrophobicContact CE2-CD1 4.28Å; F10-L14 HydrophobicContact CE2-CD2 4.11Å; F10-L14 HydrophobicContact CE2-CG 4.13Å; F10-L14 HydrophobicContact CZ-CD1 3.54Å; F10-L14 HydrophobicContact CZ-CD2 4.08Å; F10-L14 HydrophobicContact CZ-CG 3.89Å; F10-L14 WeakPolarHBondContact O-CG 3.33Å; F10-L14 PolarHBondContact O-N 3.18Å; F10-V41 HydrophobicContact CE1-CG1 4.48Å; F10-L44 HydrophobicContact CZ-CB 3.8Å; F10-W45 HydrophobicContact CB-CE3 3.77Å; F10-W45 HydrophobicContact CB-CZ3 3.6Å; F10-W45 HydrophobicContact CD1-CB 4.17Å; F10-W45 HydrophobicContact CD1-CD2 4.2Å; F10-W45 AromaticContact CD1-CE3 3.53Å; F10-W45 HydrophobicContact CD1-CE3 3.53Å; F10-W45 HydrophobicContact CD1-CG 4.49Å; F10-W45 HydrophobicContact CD1-CZ3 4.26Å; F10-W45 HydrophobicContact CD2-CE3 4.03Å; F10-W45 HydrophobicContact CD2-CZ3 4.4Å; F10-W45 HydrophobicContact CE1-CB 3.67Å; F10-W45 HydrophobicContact CE1-CE3 4.08Å; F10-W45 HydrophobicContact CE1-CG 4.45Å; F10-W45 AromaticContact CG-CE3 3.48Å; F10-W45 HydrophobicContact CG-CE3 3.48Å; F10-W45 VanDerWaalsContact CG-CE3 3.48Å; F10-W45 AromaticContact CG-CZ3 3.84Å; F10-W45 HydrophobicContact CG-CZ3 3.84Å; F10-W45 HydrophobicContact CZ-CB 4.19Å; F10-R48 HydrophobicContact CD2-CB 4.28Å; F10-R48 HydrophobicContact CD2-CG 3.97Å; F10-R48 HydrophobicContact CE2-CB 4.07Å; F10-R48 HydrophobicContact CE2-CG 4.21Å
11L97.3Very high88.3Confident0 Ų066 Ų660%035%0.35CS..Hα-helixtrans-61.1-41.7177.5-67.9173.9000111.5L7 W8 L14 L15 I24 F33 L35 V41 L63 I72L7-L11 HydrophobicContact CD1-CD1 4.16Å; L7-L11 HydrophobicContact CD1-CD2 4.34Å; L7-L11 HydrophobicContact CD1-CG 3.99Å; L7-L11 HydrophobicContact CG-CD1 4.07Å; L7-L11 HydrophobicContact CG-CG 4.32Å; L7-L11 VanDerWaalsContact O-CG 3.31Å; L7-L11 WeakPolarHBondContact O-CG 3.34Å; L7-L11 PolarHBondContact O-N 2.63Å; W8-L11 PolarHBondContact O-N 2.89Å; L11-L14 PolarHBondContact O-N 3.25Å; L11-L15 WeakPolarHBondContact O-CB 3.47Å; L11-L15 WeakPolarHBondContact O-CG 3.14Å; L11-L15 PolarHBondContact O-N 3.47Å; L11-I24 HydrophobicContact CB-CD1 4.44Å; L11-I24 HydrophobicContact CD2-CD1 3.96Å; L11-F33 HydrophobicContact CD1-CZ 4.32Å; L11-L35 HydrophobicContact CD2-CD2 4.35Å; L11-V41 HydrophobicContact CD2-CG1 3.61Å; L11-L63 HydrophobicContact CD1-CD2 3.74Å; L11-I72 HydrophobicContact CD1-CD1 4.37Å
12L95.2Very high90.7Very high13 Ų1360.8 Ų60.87%0.06832%0.323CS..Hα-helixtrans-61.9-43.4176.2-171.366.4000111.8W8 Q9 F10 L14 L15 Q16 W26 F84 Y87 L91W8-L12 HydrophobicContact CZ3-CD2 4.31Å; W8-L12 WeakPolarHBondContact O-CB 3.34Å; W8-L12 PolarHBondContact O-N 3.11Å; Q9-L12 WeakPolarHBondContact O-CB 3.11Å; Q9-L12 PolarHBondContact O-N 3.44Å; F10-L12 VanDerWaalsContact C-N 3.3Å; F10-L12 PolarHBondContact O-N 3.27Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 2.9Å; L12-L15 WeakPolarHBondContact O-CB 3.27Å; L12-L15 PolarHBondContact O-N 2.93Å; L12-Q16 WeakPolarHBondContact O-CG 3.4Å; L12-Q16 PolarHBondContact O-N 3.3Å; L12-Q16 VanDerWaalsContact O-N 3.11Å; L12-W26 HydrophobicContact CD1-CH2 3.91Å; L12-W26 HydrophobicContact CD1-CZ2 3.86Å; L12-F84 HydrophobicContact CB-CZ 4.29Å; L12-F84 HydrophobicContact CD1-CE2 4.28Å; L12-F84 HydrophobicContact CD1-CZ 4.42Å; L12-Y87 HydrophobicContact CD1-CE2 4.43Å; L12-L91 HydrophobicContact CD1-CD2 3.67Å; L12-L91 HydrophobicContact CD2-CD2 3.44Å; L12-L91 VanDerWaalsContact CD2-CD2 3.44Å; L12-L91 HydrophobicContact CG-CD2 3.91Å
13Q95Very high92.7Very high80 Ų8055.1 Ų55.137%0.37429%0.293SS..Hα-helixtrans-62.9-37.6175.6-171.8-177.44.700112.1Q9 F10Q9-Q13 WeakPolarHBondContact O-CB 3.22Å; Q9-Q13 PolarHBondContact O-N 2.72Å; F10-Q13 WeakPolarHBondContact O-CB 3.13Å; F10-Q13 PolarHBondContact O-N 3.07Å
14L96.6Very high94.4Very high15 Ų1550.2 Ų50.28%0.07926%0.258CS..Hα-helixtrans-65.5-41.9174.3-67.8-174.6000111.6F10 L11 L12 Q16 K17 N20 I24 V41 L44F10-L14 HydrophobicContact CD1-CD1 4.29Å; F10-L14 HydrophobicContact CE1-CD1 3.53Å; F10-L14 HydrophobicContact CE1-CG 4.13Å; F10-L14 HydrophobicContact CE2-CD1 4.28Å; F10-L14 HydrophobicContact CE2-CD2 4.11Å; F10-L14 HydrophobicContact CE2-CG 4.13Å; F10-L14 HydrophobicContact CZ-CD1 3.54Å; F10-L14 HydrophobicContact CZ-CD2 4.08Å; F10-L14 HydrophobicContact CZ-CG 3.89Å; F10-L14 WeakPolarHBondContact O-CG 3.33Å; F10-L14 PolarHBondContact O-N 3.18Å; L11-L14 PolarHBondContact O-N 3.25Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 2.9Å; L14-Q16 VanDerWaalsContact C-N 3.32Å; L14-Q16 PolarHBondContact O-N 3.31Å; L14-K17 PolarHBondContact O-N 3.08Å; L14-N20 WeakPolarHBondContact CA-ND2 3.25Å; L14-N20 WeakPolarHBondContact CD2-ND2 3.12Å; L14-N20 WeakPolarHBondContact O-CB 3.1Å; L14-N20 PolarHBondContact O-ND2 3.11Å; L14-I24 HydrophobicContact CB-CG2 3.73Å; L14-I24 HydrophobicContact CD1-CG2 4.36Å; L14-V41 HydrophobicContact CD1-CG1 4.02Å; L14-L44 HydrophobicContact CD2-CD1 4.34Å
15L96.2Very high95.1Very high15 Ų1547.6 Ų47.68%0.07923%0.234CC..Hα-helixtrans-66.2-27.9-178.9-82.9163.1000114.3L11 L12 K17 I24 W26 F33 F84L11-L15 WeakPolarHBondContact O-CB 3.47Å; L11-L15 WeakPolarHBondContact O-CG 3.14Å; L11-L15 PolarHBondContact O-N 3.47Å; L12-L15 WeakPolarHBondContact O-CB 3.27Å; L12-L15 PolarHBondContact O-N 2.93Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-I24 HydrophobicContact CD1-CD1 4.04Å; L15-I24 HydrophobicContact CD1-CG1 4.42Å; L15-I24 HydrophobicContact CD2-CD1 4.18Å; L15-I24 HydrophobicContact CD2-CG1 3.67Å; L15-I24 HydrophobicContact CG-CD1 3.75Å; L15-I24 HydrophobicContact CG-CG1 3.82Å; L15-W26 HydrophobicContact CB-CZ2 3.74Å; L15-W26 HydrophobicContact CD1-CD2 4.32Å; L15-W26 HydrophobicContact CD1-CE3 4.29Å; L15-W26 HydrophobicContact CD1-CH2 3.69Å; L15-W26 HydrophobicContact CD1-CZ2 3.71Å; L15-W26 HydrophobicContact CD1-CZ3 3.97Å; L15-W26 HydrophobicContact CD2-CD2 3.94Å; L15-W26 HydrophobicContact CD2-CE3 4.45Å; L15-W26 HydrophobicContact CD2-CG 4.09Å; L15-W26 HydrophobicContact CD2-CZ2 4.5Å; L15-W26 HydrophobicContact CG-CZ2 4.18Å; L15-F33 HydrophobicContact CD1-CB 3.85Å; L15-F33 HydrophobicContact CD1-CD1 4.19Å; L15-F33 HydrophobicContact CD1-CD2 4.14Å; L15-F33 HydrophobicContact CD1-CG 3.81Å; L15-F33 HydrophobicContact CD2-CB 3.93Å; L15-F84 HydrophobicContact CD1-CE2 4.12Å
16Q93.4Very high95.4Very high128 Ų12850.3 Ų50.360%0.59824%0.243SC*.Hα-helixtrans-72.9-22.8176.2-71.9173.714.300113L12 L14L12-Q16 WeakPolarHBondContact O-CG 3.4Å; L12-Q16 PolarHBondContact O-N 3.3Å; L12-Q16 VanDerWaalsContact O-N 3.11Å; L14-Q16 VanDerWaalsContact C-N 3.32Å; L14-Q16 PolarHBondContact O-N 3.31Å
17K93Very high95.5Very high89 Ų8950.9 Ų50.939%0.38725%0.247SC..  trans-94.2114.3-172.5-80.9177.1176.2-171.80110.7L14 L15 Q19 N20L14-K17 PolarHBondContact O-N 3.08Å; L15-K17 VanDerWaalsContact C-N 3.29Å; K17-Q19 HydrophobicContact CB-CG 4.29Å; K17-Q19 PolarHBondContact O-N 3.4Å; K17-Q19 VanDerWaalsContact O-N 3.15Å; K17-N20 WeakPolarHBondContact CB-ND2 3.48Å; K17-N20 PolarHBondContact O-N 3.32Å
18P90.8Very high95.4Very high86 Ų8652.8 Ų52.856%0.55826%0.26SS*.G310 helixtrans-62.4-26.2-175.424.2-33.3000113.5N20 K21P18-N20 PolarHBondContact O-N 3.44Å; P18-K21 WeakPolarHBondContact O-CB 3.17Å; P18-K21 VanDerWaalsContact O-CG 3.26Å; P18-K21 WeakPolarHBondContact O-CG 3.28Å; P18-K21 PolarHBondContact O-N 3.13Å
19Q94.1Very high95.3Very high116 Ų11659.4 Ų59.454%0.54230%0.297SS..G310 helixtrans-60.7-25175.561.3-91.931.500113.6K17 H22K17-Q19 HydrophobicContact CB-CG 4.29Å; K17-Q19 PolarHBondContact O-N 3.4Å; K17-Q19 VanDerWaalsContact O-N 3.15Å; Q19-H22 PolarHBondContact O-CE1 2.94Å; Q19-H22 VanDerWaalsContact O-CE1 3.3Å; Q19-H22 PolarHBondContact O-ND1 3.01Å
20N94.5Very high95.2Very high19 Ų1959.8 Ų59.810%0.10230%0.3CS..G310 helixtrans-89.90.7-177.9-58-30.3000113L14 K17 P18 H22 M23 I24L14-N20 WeakPolarHBondContact CA-ND2 3.25Å; L14-N20 WeakPolarHBondContact CD2-ND2 3.12Å; L14-N20 WeakPolarHBondContact O-CB 3.1Å; L14-N20 PolarHBondContact O-ND2 3.11Å; K17-N20 WeakPolarHBondContact CB-ND2 3.48Å; K17-N20 PolarHBondContact O-N 3.32Å; P18-N20 PolarHBondContact O-N 3.44Å; N20-H22 PolarHBondContact O-N 3.46Å; N20-M23 HydrophobicContact CB-CG 4.09Å; N20-M23 HydrophobicContact CB-SD 4.37Å; N20-M23 WeakPolarHBondContact O-CG 3.13Å; N20-M23 PolarHBondContact O-N 2.78Å; N20-I24 HydrophobicContact CB-CG2 4.16Å; N20-I24 PolarHBondContact O-N 3.4Å; N20-I24 VanDerWaalsContact O-O 3.12Å
21K94.3Very high95.2Very high141 Ų14159.2 Ų59.261%0.61330%0.298SS*.G310 helixtrans-55-27.3-177-80.6-179.7175.8-1750114.1P18 M23 I24 L36P18-K21 WeakPolarHBondContact O-CB 3.17Å; P18-K21 VanDerWaalsContact O-CG 3.26Å; P18-K21 WeakPolarHBondContact O-CG 3.28Å; P18-K21 PolarHBondContact O-N 3.13Å; K21-M23 VanDerWaalsContact C-N 3.31Å; K21-I24 WeakPolarHBondContact CA-O 3.35Å; K21-L36 WeakPolarHBondContact O-CD1 3.49Å
22H95.9Very high95.3Very high114 Ų11460.7 Ų60.753%0.52831%0.305SS..G310 helixtrans-71.9-22.517869.4-85.2000113.4Q19 N20 L36Q19-H22 PolarHBondContact O-CE1 2.94Å; Q19-H22 VanDerWaalsContact O-CE1 3.3Å; Q19-H22 PolarHBondContact O-ND1 3.01Å; N20-H22 PolarHBondContact O-N 3.46Å; H22-L36 WeakPolarHBondContact O-CB 3.19Å
23M97.1Very high95.4Very high8 Ų860.1 Ų60.14%0.03930%0.302CS..THydrogen-bonded Turntrans-109.8-31.9-17964.917376.200113.4N20 K21 L35 L36 Q37 E40 V41 L44N20-M23 HydrophobicContact CB-CG 4.09Å; N20-M23 HydrophobicContact CB-SD 4.37Å; N20-M23 WeakPolarHBondContact O-CG 3.13Å; N20-M23 PolarHBondContact O-N 2.78Å; K21-M23 VanDerWaalsContact C-N 3.31Å; M23-L35 CarbonylContact O-C 3.58Å; M23-L36 PolarHBondContact O-N 3.19Å; M23-Q37 HydrophobicContact CB-CB 3.85Å; M23-Q37 HydrophobicContact CB-CG 4.45Å; M23-Q37 PolarHBondContact O-N 2.84Å; M23-Q37 VanDerWaalsContact O-N 3.08Å; M23-E40 HydrophobicContact CE-CG 3.68Å; M23-E40 HydrophobicContact SD-CG 4.12Å; M23-V41 HydrophobicContact CB-CG2 4.15Å; M23-V41 HydrophobicContact CG-CG2 4.15Å; M23-V41 HydrophobicContact SD-CG2 4.18Å; M23-L44 HydrophobicContact CE-CD1 3.81Å; M23-L44 HydrophobicContact SD-CD1 3.45Å; M23-L44 WeakPolarHBondContact SD-CD1 3.46Å
24I98.2Very high95.6Very high2 Ų259.8 Ų59.81%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-149.9132179.8-172.6173.3000110.1L11 L14 L15 N20 K21 F33 K34 L35 V41L11-I24 HydrophobicContact CB-CD1 4.44Å; L11-I24 HydrophobicContact CD2-CD1 3.96Å; L14-I24 HydrophobicContact CB-CG2 3.73Å; L14-I24 HydrophobicContact CD1-CG2 4.36Å; L15-I24 HydrophobicContact CD1-CD1 4.04Å; L15-I24 HydrophobicContact CD1-CG1 4.42Å; L15-I24 HydrophobicContact CD2-CD1 4.18Å; L15-I24 HydrophobicContact CD2-CG1 3.67Å; L15-I24 HydrophobicContact CG-CD1 3.75Å; L15-I24 HydrophobicContact CG-CG1 3.82Å; N20-I24 HydrophobicContact CB-CG2 4.16Å; N20-I24 PolarHBondContact O-N 3.4Å; N20-I24 VanDerWaalsContact O-O 3.12Å; K21-I24 WeakPolarHBondContact CA-O 3.35Å; I24-F33 HydrophobicContact CD1-CD2 4.06Å; I24-F33 HydrophobicContact CD1-CE2 4.3Å; I24-F33 HydrophobicContact CG1-CD2 4.23Å; I24-K34 WeakPolarHBondContact CA-O 3.46Å; I24-L35 HydrophobicContact CB-CD2 4.32Å; I24-L35 HydrophobicContact CD1-CD2 3.51Å; I24-L35 HydrophobicContact CG1-CD2 3.8Å; I24-V41 HydrophobicContact CB-CG2 4.13Å
25C97.6Very high95.6Very high32 Ų3259.1 Ų59.122%0.21630%0.296CS..EExtended strand (participates in β ladder)trans-147154.1-179.365.10000112.5F33 K34C25-F33 CarbonylContact O-C 3.53Å; C25-F33 VanDerWaalsContact O-CA 3.23Å; C25-F33 WeakPolarHBondContact O-CA 3.39Å; C25-F33 WeakPolarHBondContact O-CB 3.49Å; C25-K34 PolarHBondContact N-O 3.43Å; C25-K34 VanDerWaalsContact N-O 3.1Å; C25-K34 PolarHBondContact O-N 2.86Å
26W97.7Very high95.7Very high75 Ų7561.9 Ų61.928%0.28431%0.31SS..EExtended strand (participates in β ladder)trans-68.2135165.9-61.5112000109.6L12 L15 G31 Q32 F33 F84 Y87L12-W26 HydrophobicContact CD1-CH2 3.91Å; L12-W26 HydrophobicContact CD1-CZ2 3.86Å; L15-W26 HydrophobicContact CB-CZ2 3.74Å; L15-W26 HydrophobicContact CD1-CD2 4.32Å; L15-W26 HydrophobicContact CD1-CE3 4.29Å; L15-W26 HydrophobicContact CD1-CH2 3.69Å; L15-W26 HydrophobicContact CD1-CZ2 3.71Å; L15-W26 HydrophobicContact CD1-CZ3 3.97Å; L15-W26 HydrophobicContact CD2-CD2 3.94Å; L15-W26 HydrophobicContact CD2-CE3 4.45Å; L15-W26 HydrophobicContact CD2-CG 4.09Å; L15-W26 HydrophobicContact CD2-CZ2 4.5Å; L15-W26 HydrophobicContact CG-CZ2 4.18Å; W26-G31 WeakPolarHBondContact CZ3-O 3.49Å; W26-Q32 WeakPolarHBondContact CA-O 3.38Å; W26-F33 HydrophobicContact CE3-CB 3.84Å; W26-F33 HydrophobicContact CZ3-CB 4.11Å; W26-F33 HydrophobicContact CZ3-CD1 4.23Å; W26-F84 AromaticContact CH2-CD2 3.75Å; W26-F84 HydrophobicContact CH2-CD2 3.75Å; W26-F84 AromaticContact CH2-CE2 3.88Å; W26-F84 HydrophobicContact CH2-CE2 3.88Å; W26-F84 AromaticContact CZ3-CD2 3.87Å; W26-F84 HydrophobicContact CZ3-CD2 3.87Å; W26-F84 HydrophobicContact CZ3-CE2 4.25Å; W26-Y87 AromaticContact CH2-CD2 3.99Å; W26-Y87 HydrophobicContact CH2-CD2 3.99Å; W26-Y87 AromaticContact CH2-CE2 3.6Å; W26-Y87 HydrophobicContact CH2-CE2 3.6Å; W26-Y87 AromaticContact CZ2-CE2 3.82Å; W26-Y87 HydrophobicContact CZ2-CE2 3.82Å; W26-Y87 HydrophobicContact CZ3-CE2 4.35Å
27T96.1Very high95.9Very high58 Ų5861.1 Ų61.136%0.35631%0.307SS..SBendtrans-104.2-17.1172.753.50000111.9Q32 K34T27-Q32 PolarHBondContact N-O 3.45Å; T27-Q32 VanDerWaalsContact OG1-CD 3.31Å; T27-Q32 WeakPolarHBondContact OG1-CG 3.06Å; T27-Q32 PolarHBondContact OG1-O 2.84Å; T27-Q32 PolarHBondContact OG1-OE1 3.33Å; T27-K34 HydrophobicContact CG2-CB 3.61Å
28S94.8Very high96.2Very high45 Ų4557.4 Ų57.432%0.31529%0.293SS..SBendtrans-151.7161.4176.1-58.40000110.1D30 Q32S28-D30 WeakPolarHBondContact CB-OD1 3.28Å; S28-D30 PolarHBondContact O-N 2.98Å; S28-Q32 PolarHBondContact N-O 3.26Å
29N92.6Very high96.5Very high152 Ų15258.5 Ų58.581%0.81329%0.29SS*.THydrogen-bonded Turntrans-78-5.9179.860.6-46.9000113.8G31N29-G31 VanDerWaalsContact C-N 3.31Å
30D93.6Very high96.7Very high56 Ų5655.8 Ų55.830%0.29928%0.278SS..THydrogen-bonded Turntrans-9113.3-178.471.1-15.5000113.4S28 Q32 K83S28-D30 WeakPolarHBondContact CB-OD1 3.28Å; S28-D30 PolarHBondContact O-N 2.98Å; D30-Q32 WeakPolarHBondContact OD1-CB 3.4Å; D30-Q32 PolarHBondContact OD1-N 3.25Å; D30-Q32 VanDerWaalsContact OD1-N 3.11Å; D30-K83 WeakPolarHBondContact O-CE 3.18Å; D30-K83 VanDerWaalsContact OD2-CE 3.22Å; D30-K83 WeakPolarHBondContact OD2-CE 3.43Å; D30-K83 IonicContact OD2-NZ 2.63Å; D30-K83 PolarHBondContact OD2-NZ 3.38Å
31G95.6Very high96.8Very high0 Ų054.9 Ų54.90%027%0.273CS..SBendtrans8910-177.100000114.7W26 N29 K83 F84W26-G31 WeakPolarHBondContact CZ3-O 3.49Å; N29-G31 VanDerWaalsContact C-N 3.31Å; G31-K83 WeakPolarHBondContact O-CA 3.49Å; G31-F84 PolarHBondContact O-N 2.95Å
32Q98.2Very high97Very high31 Ų3148.2 Ų48.215%0.14524%0.244CC..EExtended strand (participates in β ladder)trans-76.8131.1171-162.6-172.99900111.8W26 T27 S28 D30 V75 V81 Y82 K83W26-Q32 WeakPolarHBondContact CA-O 3.38Å; T27-Q32 PolarHBondContact N-O 3.45Å; T27-Q32 VanDerWaalsContact OG1-CD 3.31Å; T27-Q32 WeakPolarHBondContact OG1-CG 3.06Å; T27-Q32 PolarHBondContact OG1-O 2.84Å; T27-Q32 PolarHBondContact OG1-OE1 3.33Å; S28-Q32 PolarHBondContact N-O 3.26Å; D30-Q32 WeakPolarHBondContact OD1-CB 3.4Å; D30-Q32 PolarHBondContact OD1-N 3.25Å; D30-Q32 VanDerWaalsContact OD1-N 3.11Å; Q32-V75 HydrophobicContact CG-CG2 3.98Å; Q32-V81 HydrophobicContact CG-CG1 3.69Å; Q32-Y82 WeakPolarHBondContact CA-O 3.26Å; Q32-Y82 WeakPolarHBondContact CG-O 3.44Å; Q32-K83 HydrophobicContact CB-CB 4.43Å; Q32-K83 HydrophobicContact CB-CG 4.39Å; Q32-K83 HydrophobicContact CG-CB 4.41Å
33F98.4Very high97.1Very high0 Ų048.4 Ų48.40%024%0.24CC..EExtended strand (participates in β ladder)trans-137.8159.9178.469.4-86.7000112.3L11 L15 I24 C25 W26 L35 I72 V81 Y82 F84L11-F33 HydrophobicContact CD1-CZ 4.32Å; L15-F33 HydrophobicContact CD1-CB 3.85Å; L15-F33 HydrophobicContact CD1-CD1 4.19Å; L15-F33 HydrophobicContact CD1-CD2 4.14Å; L15-F33 HydrophobicContact CD1-CG 3.81Å; L15-F33 HydrophobicContact CD2-CB 3.93Å; I24-F33 HydrophobicContact CD1-CD2 4.06Å; I24-F33 HydrophobicContact CD1-CE2 4.3Å; I24-F33 HydrophobicContact CG1-CD2 4.23Å; C25-F33 CarbonylContact O-C 3.53Å; C25-F33 VanDerWaalsContact O-CA 3.23Å; C25-F33 WeakPolarHBondContact O-CA 3.39Å; C25-F33 WeakPolarHBondContact O-CB 3.49Å; W26-F33 HydrophobicContact CE3-CB 3.84Å; W26-F33 HydrophobicContact CZ3-CB 4.11Å; W26-F33 HydrophobicContact CZ3-CD1 4.23Å; F33-L35 HydrophobicContact CD2-CD2 4.43Å; F33-L35 HydrophobicContact CE2-CD2 4.15Å; F33-L35 HydrophobicContact CE2-CG 4.46Å; F33-I72 HydrophobicContact CE1-CD1 4.47Å; F33-I72 HydrophobicContact CZ-CD1 4.29Å; F33-V81 WeakPolarHBondContact O-CA 3.5Å; F33-V81 WeakPolarHBondContact O-CG1 3.44Å; F33-Y82 HydrophobicContact CE2-CD2 4.24Å; F33-Y82 HydrophobicContact CZ-CD2 4.48Å; F33-Y82 HydrophobicContact CZ-CG 4.33Å; F33-Y82 PolarHBondContact N-O 2.94Å; F33-Y82 PolarHBondContact O-N 2.86Å; F33-F84 AromaticContact CD1-CD2 3.8Å; F33-F84 HydrophobicContact CD1-CD2 3.8Å; F33-F84 AromaticContact CD1-CE2 3.8Å; F33-F84 HydrophobicContact CD1-CE2 3.8Å; F33-F84 AromaticContact CE1-CD2 3.68Å; F33-F84 HydrophobicContact CE1-CD2 3.68Å; F33-F84 AromaticContact CE1-CE2 3.53Å; F33-F84 HydrophobicContact CE1-CE2 3.53Å; F33-F84 HydrophobicContact CE1-CZ 4.26Å; F33-F84 HydrophobicContact CZ-CE2 4.32Å
34K98.3Very high97.1Very high74 Ų7449.9 Ų49.932%0.32225%0.248SC..EExtended strand (participates in β ladder)trans-126.1136.5178.2-174.9171.5-1771800111.1I24 C25 T27 L36 F80 V81I24-K34 WeakPolarHBondContact CA-O 3.46Å; C25-K34 PolarHBondContact N-O 3.43Å; C25-K34 VanDerWaalsContact N-O 3.1Å; C25-K34 PolarHBondContact O-N 2.86Å; T27-K34 HydrophobicContact CG2-CB 3.61Å; K34-L36 HydrophobicContact CD-CD2 3.79Å; K34-L36 HydrophobicContact CG-CD2 4Å; K34-L36 PolarHBondContact O-N 3.38Å; K34-F80 WeakPolarHBondContact CA-O 3.15Å; K34-V81 HydrophobicContact CB-CG2 4.02Å; K34-V81 HydrophobicContact CD-CG2 3.84Å; K34-V81 HydrophobicContact CG-CG2 3.79Å
35L98.3Very high97.1Very high1 Ų150.7 Ų50.71%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-86.4104.2166.2-50.2171.5000107.9L11 M23 I24 F33 A38 V41 Y56 L63 F80 Y82L11-L35 HydrophobicContact CD2-CD2 4.35Å; M23-L35 CarbonylContact O-C 3.58Å; I24-L35 HydrophobicContact CB-CD2 4.32Å; I24-L35 HydrophobicContact CD1-CD2 3.51Å; I24-L35 HydrophobicContact CG1-CD2 3.8Å; F33-L35 HydrophobicContact CD2-CD2 4.43Å; F33-L35 HydrophobicContact CE2-CD2 4.15Å; F33-L35 HydrophobicContact CE2-CG 4.46Å; L35-A38 HydrophobicContact CB-CB 4.14Å; L35-V41 HydrophobicContact CD2-CB 4.4Å; L35-V41 HydrophobicContact CD2-CG1 4.07Å; L35-V41 HydrophobicContact CD2-CG2 4.13Å; L35-Y56 HydrophobicContact CD1-CD2 4.36Å; L35-Y56 HydrophobicContact CD1-CE2 3.72Å; L35-L63 HydrophobicContact CD1-CD1 4.4Å; L35-F80 HydrophobicContact CB-CB 4.14Å; L35-F80 PolarHBondContact N-O 3.24Å; L35-F80 WeakPolarHBondContact O-CB 3.47Å; L35-Y82 HydrophobicContact CD1-CD2 4.3Å; L35-Y82 HydrophobicContact CD1-CE2 3.91Å; L35-Y82 HydrophobicContact CG-CD2 4.5Å; L35-Y82 HydrophobicContact CG-CE2 4.49Å
36L97.9Very high97Very high73 Ų7349.3 Ų49.338%0.38224%0.242SC..SBendtrans-76.3-42.8177.4-61178.4000111K21 H22 M23 K34K21-L36 WeakPolarHBondContact O-CD1 3.49Å; H22-L36 WeakPolarHBondContact O-CB 3.19Å; M23-L36 PolarHBondContact O-N 3.19Å; K34-L36 HydrophobicContact CD-CD2 3.79Å; K34-L36 HydrophobicContact CG-CD2 4Å; K34-L36 PolarHBondContact O-N 3.38Å
37Q97.8Very high97Very high112 Ų11250.9 Ų50.952%0.52325%0.254SS..SBendtrans-118.778.1175.6-63-64.6-29.700108.6M23 E39 E40 V41M23-Q37 HydrophobicContact CB-CB 3.85Å; M23-Q37 HydrophobicContact CB-CG 4.45Å; M23-Q37 PolarHBondContact O-N 2.84Å; M23-Q37 VanDerWaalsContact O-N 3.08Å; Q37-E39 VanDerWaalsContact C-N 3.31Å; Q37-E39 PolarHBondContact O-N 2.67Å; Q37-E40 HydrophobicContact CB-CB 3.95Å; Q37-E40 PolarHBondContact O-N 2.92Å; Q37-V41 PolarHBondContact O-N 2.95Å; Q37-V41 VanDerWaalsContact O-N 3.14Å
38A97.6Very high96.9Very high11 Ų1151.6 Ų51.69%0.09125%0.251CS..Hα-helixtrans-60.7-37.7-171.400000113.3L35 A42 Y56 F80L35-A38 HydrophobicContact CB-CB 4.14Å; A38-A42 PolarHBondContact O-N 3.2Å; A38-A42 VanDerWaalsContact O-N 3.08Å; A38-Y56 HydrophobicContact CB-CD1 4.47Å; A38-Y56 HydrophobicContact CB-CD2 3.59Å; A38-Y56 HydrophobicContact CB-CE2 3.95Å; A38-Y56 HydrophobicContact CB-CG 3.86Å; A38-F80 HydrophobicContact CB-CD1 3.92Å; A38-F80 HydrophobicContact CB-CE1 4.02Å
39E97.9Very high96.9Very high108 Ų10853.4 Ų53.451%0.50525%0.253SS..Hα-helixtrans-67.5-38.7176.4-65.3-54.4152.600112.5Q37 V41 A42 R43 Y56Q37-E39 VanDerWaalsContact C-N 3.31Å; Q37-E39 PolarHBondContact O-N 2.67Å; E39-V41 PolarHBondContact O-N 2.85Å; E39-A42 WeakPolarHBondContact O-CB 3.16Å; E39-A42 PolarHBondContact O-N 3.36Å; E39-R43 WeakPolarHBondContact O-CB 3.45Å; E39-R43 PolarHBondContact O-N 2.98Å; E39-Y56 WeakPolarHBondContact OE1-CB 3.49Å; E39-Y56 PolarHBondContact OE2-N 3.49Å; E39-Y56 VanDerWaalsContact OE2-N 3.07Å
40E97.6Very high97Very high60 Ų6053 Ų5328%0.2825%0.251SS..Hα-helixtrans-66.4-40.8178.5-178.655-158.200111.4M23 Q37 A42 R43 L44M23-E40 HydrophobicContact CE-CG 3.68Å; M23-E40 HydrophobicContact SD-CG 4.12Å; Q37-E40 HydrophobicContact CB-CB 3.95Å; Q37-E40 PolarHBondContact O-N 2.92Å; E40-A42 VanDerWaalsContact C-N 3.28Å; E40-A42 PolarHBondContact O-N 2.66Å; E40-R43 WeakPolarHBondContact O-CB 3.36Å; E40-R43 PolarHBondContact O-N 3.16Å; E40-R43 IonicContact OE1-CZ 3.34Å; E40-R43 IonicContact OE1-NE 3.2Å; E40-R43 PolarHBondContact OE1-NE 3.34Å; E40-R43 IonicContact OE1-NH2 2.67Å; E40-R43 PolarHBondContact OE1-NH2 3.08Å; E40-R43 IonicContact OE2-CZ 3.7Å; E40-R43 IonicContact OE2-NE 2.81Å; E40-R43 PolarHBondContact OE2-NE 3.45Å; E40-R43 IonicContact OE2-NH2 3.78Å; E40-L44 WeakPolarHBondContact O-CG 3.49Å; E40-L44 PolarHBondContact O-N 3.03Å
41V98.1Very high97Very high0 Ų055.1 Ų55.10%026%0.257CS..Hα-helixtrans-60.2-41.3172.8175.40000111F10 L11 L14 M23 I24 L35 Q37 E39 L44 W45 L59F10-V41 HydrophobicContact CE1-CG1 4.48Å; L11-V41 HydrophobicContact CD2-CG1 3.61Å; L14-V41 HydrophobicContact CD1-CG1 4.02Å; M23-V41 HydrophobicContact CB-CG2 4.15Å; M23-V41 HydrophobicContact CG-CG2 4.15Å; M23-V41 HydrophobicContact SD-CG2 4.18Å; I24-V41 HydrophobicContact CB-CG2 4.13Å; L35-V41 HydrophobicContact CD2-CB 4.4Å; L35-V41 HydrophobicContact CD2-CG1 4.07Å; L35-V41 HydrophobicContact CD2-CG2 4.13Å; Q37-V41 PolarHBondContact O-N 2.95Å; Q37-V41 VanDerWaalsContact O-N 3.14Å; E39-V41 PolarHBondContact O-N 2.85Å; V41-L44 PolarHBondContact O-N 2.84Å; V41-W45 PolarHBondContact O-N 2.84Å; V41-L59 HydrophobicContact CG1-CD1 4.32Å
42A98.1Very high97Very high0 Ų060.6 Ų60.60%029%0.293CS..Hα-helixtrans-67.7-39.2177.100000112.9A38 E39 E40 W45 G46 M54 L59A38-A42 PolarHBondContact O-N 3.2Å; A38-A42 VanDerWaalsContact O-N 3.08Å; E39-A42 WeakPolarHBondContact O-CB 3.16Å; E39-A42 PolarHBondContact O-N 3.36Å; E40-A42 VanDerWaalsContact C-N 3.28Å; E40-A42 PolarHBondContact O-N 2.66Å; A42-W45 WeakPolarHBondContact O-CB 3.41Å; A42-W45 PolarHBondContact O-N 3.07Å; A42-G46 PolarHBondContact O-N 3.25Å; A42-M54 HydrophobicContact CB-CG 4.5Å; A42-M54 WeakPolarHBondContact O-CG 3.27Å; A42-L59 HydrophobicContact CB-CB 4.24Å; A42-L59 HydrophobicContact CB-CD1 3.95Å
43R97.8Very high96.9Very high118 Ų11865.2 Ų65.245%0.44532%0.318SS..Hα-helixtrans-60.7-46.9174.7-169.3-166.771.480.85.2111.2E39 E40 W45 G46 I47E39-R43 WeakPolarHBondContact O-CB 3.45Å; E39-R43 PolarHBondContact O-N 2.98Å; E40-R43 WeakPolarHBondContact O-CB 3.36Å; E40-R43 PolarHBondContact O-N 3.16Å; E40-R43 IonicContact OE1-CZ 3.34Å; E40-R43 IonicContact OE1-NE 3.2Å; E40-R43 PolarHBondContact OE1-NE 3.34Å; E40-R43 IonicContact OE1-NH2 2.67Å; E40-R43 PolarHBondContact OE1-NH2 3.08Å; E40-R43 IonicContact OE2-CZ 3.7Å; E40-R43 IonicContact OE2-NE 2.81Å; E40-R43 PolarHBondContact OE2-NE 3.45Å; E40-R43 IonicContact OE2-NH2 3.78Å; R43-W45 VanDerWaalsContact C-N 3.31Å; R43-W45 PolarHBondContact O-N 3.06Å; R43-G46 WeakPolarHBondContact O-CA 3.47Å; R43-G46 PolarHBondContact O-N 3.1Å; R43-G46 VanDerWaalsContact O-N 3.11Å; R43-I47 PolarHBondContact O-N 3.35Å
44L97.4Very high96.8Very high40 Ų4066.3 Ų66.321%0.20932%0.324CS..Hα-helixtrans-62.9-37.6175.9-70.4179.3000112.2F10 L14 M23 E40 V41 G46 I47 R48F10-L44 HydrophobicContact CZ-CB 3.8Å; L14-L44 HydrophobicContact CD2-CD1 4.34Å; M23-L44 HydrophobicContact CE-CD1 3.81Å; M23-L44 HydrophobicContact SD-CD1 3.45Å; M23-L44 WeakPolarHBondContact SD-CD1 3.46Å; E40-L44 WeakPolarHBondContact O-CG 3.49Å; E40-L44 PolarHBondContact O-N 3.03Å; V41-L44 PolarHBondContact O-N 2.84Å; L44-G46 VanDerWaalsContact C-N 3.33Å; L44-I47 PolarHBondContact O-N 3.05Å; L44-R48 WeakPolarHBondContact O-CB 3.23Å; L44-R48 PolarHBondContact O-N 3.49Å
45W97.4Very high96.8Very high19 Ų1965.1 Ų65.17%0.07232%0.321CS..Hα-helixtrans-62.9-41.6172.3177.5-124.8000111.9I5 L7 F10 V41 A42 R43 R48 K49 M54 L59I5-W45 HydrophobicContact CG2-CH2 4.38Å; I5-W45 HydrophobicContact CG2-CZ3 4.01Å; L7-W45 HydrophobicContact CB-CH2 4.22Å; L7-W45 HydrophobicContact CB-CZ2 3.91Å; L7-W45 HydrophobicContact CD1-CD2 3.87Å; L7-W45 HydrophobicContact CD1-CE3 4.32Å; L7-W45 HydrophobicContact CD1-CG 4Å; F10-W45 HydrophobicContact CB-CE3 3.77Å; F10-W45 HydrophobicContact CB-CZ3 3.6Å; F10-W45 HydrophobicContact CD1-CB 4.17Å; F10-W45 HydrophobicContact CD1-CD2 4.2Å; F10-W45 AromaticContact CD1-CE3 3.53Å; F10-W45 HydrophobicContact CD1-CE3 3.53Å; F10-W45 HydrophobicContact CD1-CG 4.49Å; F10-W45 HydrophobicContact CD1-CZ3 4.26Å; F10-W45 HydrophobicContact CD2-CE3 4.03Å; F10-W45 HydrophobicContact CD2-CZ3 4.4Å; F10-W45 HydrophobicContact CE1-CB 3.67Å; F10-W45 HydrophobicContact CE1-CE3 4.08Å; F10-W45 HydrophobicContact CE1-CG 4.45Å; F10-W45 AromaticContact CG-CE3 3.48Å; F10-W45 HydrophobicContact CG-CE3 3.48Å; F10-W45 VanDerWaalsContact CG-CE3 3.48Å; F10-W45 AromaticContact CG-CZ3 3.84Å; F10-W45 HydrophobicContact CG-CZ3 3.84Å; F10-W45 HydrophobicContact CZ-CB 4.19Å; V41-W45 PolarHBondContact O-N 2.84Å; A42-W45 WeakPolarHBondContact O-CB 3.41Å; A42-W45 PolarHBondContact O-N 3.07Å; R43-W45 VanDerWaalsContact C-N 3.31Å; R43-W45 PolarHBondContact O-N 3.06Å; W45-R48 HydrophobicContact CE3-CB 4.23Å; W45-R48 HydrophobicContact CE3-CG 4.36Å; W45-R48 HydrophobicContact CZ3-CG 4.3Å; W45-R48 PolarHBondContact O-N 3.36Å; W45-K49 HydrophobicContact CD2-CG 4.04Å; W45-K49 HydrophobicContact CE3-CG 3.97Å; W45-K49 HydrophobicContact CH2-CD 3.55Å; W45-K49 HydrophobicContact CH2-CG 3.4Å; W45-K49 VanDerWaalsContact CH2-CG 3.4Å; W45-K49 HydrophobicContact CZ2-CD 3.96Å; W45-K49 HydrophobicContact CZ2-CG 3.45Å; W45-K49 VanDerWaalsContact CZ2-CG 3.45Å; W45-K49 HydrophobicContact CZ3-CD 3.99Å; W45-K49 HydrophobicContact CZ3-CG 3.67Å; W45-K49 PolarHBondContact O-N 3.34Å; W45-K49 VanDerWaalsContact O-N 3.08Å; W45-M54 HydrophobicContact CG-CG 4.49Å; W45-L59 HydrophobicContact CB-CD1 4.02Å; W45-L59 HydrophobicContact CG-CD1 4.27Å
46G96.9Very high96.8Very high3 Ų366.4 Ų66.43%0.03133%0.326CS..Hα-helixtrans-55.7-50.4172.900000112.1A42 R43 L44 R48 K49 N50 K51 M54A42-G46 PolarHBondContact O-N 3.25Å; R43-G46 WeakPolarHBondContact O-CA 3.47Å; R43-G46 PolarHBondContact O-N 3.1Å; R43-G46 VanDerWaalsContact O-N 3.11Å; L44-G46 VanDerWaalsContact C-N 3.33Å; G46-R48 VanDerWaalsContact C-N 3.33Å; G46-R48 PolarHBondContact O-N 2.97Å; G46-K49 CarbonylContact O-C 3.57Å; G46-K49 PolarHBondContact O-N 2.72Å; G46-N50 CarbonylContact O-C 3.57Å; G46-N50 WeakPolarHBondContact O-CA 3.18Å; G46-N50 PolarHBondContact O-N 3.39Å; G46-K51 WeakPolarHBondContact CA-O 3.21Å; G46-K51 PolarHBondContact O-N 3.5Å; G46-M54 VanDerWaalsContact CA-CB 3.45Å
47I96Very high96.8Very high107 Ų10768.3 Ų68.355%0.54934%0.336SS..Hα-helixtrans-58.2-46.8175-68.9167.6000110.6R43 L44 K49 N50R43-I47 PolarHBondContact O-N 3.35Å; L44-I47 PolarHBondContact O-N 3.05Å; I47-K49 PolarHBondContact O-N 3.28Å; I47-N50 PolarHBondContact O-N 3.34Å
48R94.9Very high96.8Very high74 Ų7467.8 Ų67.828%0.27933%0.332SS..Hα-helixtrans-62.1-28.5-176.2-174.658.9-179.382.3-3.7113.8D2 I5 F10 L44 W45 G46D2-R48 PolarHBondContact O-NH1 3.35Å; D2-R48 PolarHBondContact O-NH2 3.37Å; I5-R48 HydrophobicContact CG2-CG 3.89Å; F10-R48 HydrophobicContact CD2-CB 4.28Å; F10-R48 HydrophobicContact CD2-CG 3.97Å; F10-R48 HydrophobicContact CE2-CB 4.07Å; F10-R48 HydrophobicContact CE2-CG 4.21Å; L44-R48 WeakPolarHBondContact O-CB 3.23Å; L44-R48 PolarHBondContact O-N 3.49Å; W45-R48 HydrophobicContact CE3-CB 4.23Å; W45-R48 HydrophobicContact CE3-CG 4.36Å; W45-R48 HydrophobicContact CZ3-CG 4.3Å; W45-R48 PolarHBondContact O-N 3.36Å; G46-R48 VanDerWaalsContact C-N 3.33Å; G46-R48 PolarHBondContact O-N 2.97Å
49K94.2Very high96.9Very high83 Ų8367.3 Ų67.336%0.36133%0.329SS..THydrogen-bonded Turntrans-109.68.4179.3-64.6-67.1-70-172.20113.8I5 W45 G46 I47 K51I5-K49 HydrophobicContact CG2-CD 4.23Å; I5-K49 PolarHBondContact O-NZ 3.02Å; W45-K49 HydrophobicContact CD2-CG 4.04Å; W45-K49 HydrophobicContact CE3-CG 3.97Å; W45-K49 HydrophobicContact CH2-CD 3.55Å; W45-K49 HydrophobicContact CH2-CG 3.4Å; W45-K49 VanDerWaalsContact CH2-CG 3.4Å; W45-K49 HydrophobicContact CZ2-CD 3.96Å; W45-K49 HydrophobicContact CZ2-CG 3.45Å; W45-K49 VanDerWaalsContact CZ2-CG 3.45Å; W45-K49 HydrophobicContact CZ3-CD 3.99Å; W45-K49 HydrophobicContact CZ3-CG 3.67Å; W45-K49 PolarHBondContact O-N 3.34Å; W45-K49 VanDerWaalsContact O-N 3.08Å; G46-K49 CarbonylContact O-C 3.57Å; G46-K49 PolarHBondContact O-N 2.72Å; I47-K49 PolarHBondContact O-N 3.28Å; K49-K51 VanDerWaalsContact C-N 3.3Å; K49-K51 HydrophobicContact CB-CG 4.21Å; K49-K51 PolarHBondContact O-N 3.1Å
50N94.4Very high96.9Very high143 Ų14362.2 Ų62.277%0.76531%0.305SS*.THydrogen-bonded Turntrans51.745.7-173.8-160.749.3000113.4G46 I47G46-N50 CarbonylContact O-C 3.57Å; G46-N50 WeakPolarHBondContact O-CA 3.18Å; G46-N50 PolarHBondContact O-N 3.39Å; I47-N50 PolarHBondContact O-N 3.34Å
51K95.1Very high96.9Very high100 Ų10064.6 Ų64.644%0.43531%0.311SS..  trans-117.589.2176.8-65.6-63.7-173.6177.40108.9G46 K49 N53 M54G46-K51 WeakPolarHBondContact CA-O 3.21Å; G46-K51 PolarHBondContact O-N 3.5Å; K49-K51 VanDerWaalsContact C-N 3.3Å; K49-K51 HydrophobicContact CB-CG 4.21Å; K49-K51 PolarHBondContact O-N 3.1Å; K51-N53 PolarHBondContact O-N 3.08Å; K51-M54 HydrophobicContact CB-CB 4.45Å; K51-M54 HydrophobicContact CB-CE 4.26Å; K51-M54 VanDerWaalsContact O-CB 3.32Å; K51-M54 WeakPolarHBondContact O-CB 3.25Å; K51-M54 PolarHBondContact O-N 2.81Å
52P93.8Very high96.8Very high115 Ų11565.8 Ų65.875%0.74732%0.321SS*.THydrogen-bonded Turntrans-64.4-27.9-173.124.8-34.4000113.3M54P52-M54 VanDerWaalsContact C-N 3.26Å; P52-M54 PolarHBondContact O-N 3.12Å
53N96.1Very high96.8Very high128 Ų12865.8 Ų65.868%0.68432%0.321SS*.THydrogen-bonded Turntrans-90.623.5-179.9-59-23.2000112.9K51 K58K51-N53 PolarHBondContact O-N 3.08Å; N53-K58 PolarHBondContact O-NZ 3.07Å
54M98.1Very high96.8Very high23 Ų2366.1 Ų66.111%0.11332%0.322CS..  trans-75.6136.6175.4-17459.166.700110.4A42 W45 G46 K51 P52 K58A42-M54 HydrophobicContact CB-CG 4.5Å; A42-M54 WeakPolarHBondContact O-CG 3.27Å; W45-M54 HydrophobicContact CG-CG 4.49Å; G46-M54 VanDerWaalsContact CA-CB 3.45Å; K51-M54 HydrophobicContact CB-CB 4.45Å; K51-M54 HydrophobicContact CB-CE 4.26Å; K51-M54 VanDerWaalsContact O-CB 3.32Å; K51-M54 WeakPolarHBondContact O-CB 3.25Å; K51-M54 PolarHBondContact O-N 2.81Å; P52-M54 VanDerWaalsContact C-N 3.26Å; P52-M54 PolarHBondContact O-N 3.12Å; M54-K58 HydrophobicContact SD-CB 3.86Å
55N98.3Very high96.7Very high50 Ų5069.4 Ų69.427%0.26733%0.333SS..  trans-145.3173.7178.365.314.3000110.4D57 K58 L59N55-D57 VanDerWaalsContact C-N 3.31Å; N55-D57 PolarHBondContact O-N 2.87Å; N55-D57 PolarHBondContact OD1-N 2.99Å; N55-K58 PolarHBondContact O-N 3.02Å; N55-K58 WeakPolarHBondContact OD1-CB 3.37Å; N55-K58 VanDerWaalsContact OD1-CG 3.28Å; N55-K58 WeakPolarHBondContact OD1-CG 3.5Å; N55-K58 PolarHBondContact OD1-N 3.42Å; N55-L59 WeakPolarHBondContact O-CB 3.34Å; N55-L59 PolarHBondContact O-N 3.02Å
56Y98.3Very high96.6Very high28 Ų2869.8 Ų69.811%0.1134%0.335CS..Hα-helixtrans-63.7-34.9-177.8177.8-107.9000113.2L35 A38 E39 K58 L59 S60 F80 Y82L35-Y56 HydrophobicContact CD1-CD2 4.36Å; L35-Y56 HydrophobicContact CD1-CE2 3.72Å; A38-Y56 HydrophobicContact CB-CD1 4.47Å; A38-Y56 HydrophobicContact CB-CD2 3.59Å; A38-Y56 HydrophobicContact CB-CE2 3.95Å; A38-Y56 HydrophobicContact CB-CG 3.86Å; E39-Y56 WeakPolarHBondContact OE1-CB 3.49Å; E39-Y56 PolarHBondContact OE2-N 3.49Å; E39-Y56 VanDerWaalsContact OE2-N 3.07Å; Y56-K58 VanDerWaalsContact C-N 3.32Å; Y56-K58 PolarHBondContact O-N 2.8Å; Y56-L59 HydrophobicContact CD2-CD2 4.46Å; Y56-L59 PolarHBondContact O-N 3.41Å; Y56-S60 WeakPolarHBondContact O-CB 3.49Å; Y56-S60 PolarHBondContact O-N 3.38Å; Y56-S60 PolarHBondContact O-OG 3.28Å; Y56-F80 HydrophobicContact CD1-CE1 4.08Å; Y56-F80 AromaticContact CE1-CD1 3.9Å; Y56-F80 HydrophobicContact CE1-CD1 3.9Å; Y56-F80 AromaticContact CE1-CE1 3.49Å; Y56-F80 HydrophobicContact CE1-CE1 3.49Å; Y56-F80 VanDerWaalsContact CE1-CE1 3.49Å; Y56-F80 HydrophobicContact CE2-CD1 4.17Å; Y56-F80 HydrophobicContact CE2-CE1 4.47Å; Y56-F80 AromaticContact CZ-CD1 3.56Å; Y56-F80 AromaticContact CZ-CE1 3.69Å; Y56-F80 WeakPolarHBondContact OH-CD1 3.36Å; Y56-Y82 PolarHBondContact OH-OH 3.44Å
57D98Very high96.6Very high112 Ų11272.8 Ų72.860%0.59935%0.346SS*.Hα-helixtrans-57.9-46.2177.9-69.1-50.7000111.9N55 S60 R61N55-D57 VanDerWaalsContact C-N 3.31Å; N55-D57 PolarHBondContact O-N 2.87Å; N55-D57 PolarHBondContact OD1-N 2.99Å; D57-S60 PolarHBondContact O-OG 3.35Å; D57-R61 PolarHBondContact O-N 2.9Å; D57-R61 VanDerWaalsContact O-N 3.1Å
58K97.8Very high96.4Very high101 Ų10172.7 Ų72.744%0.43935%0.349SS..Hα-helixtrans-68.4-43.6177-67.2170.4-171.1176.30111.9N53 M54 N55 Y56 S60 R61 A62N53-K58 PolarHBondContact O-NZ 3.07Å; M54-K58 HydrophobicContact SD-CB 3.86Å; N55-K58 PolarHBondContact O-N 3.02Å; N55-K58 WeakPolarHBondContact OD1-CB 3.37Å; N55-K58 VanDerWaalsContact OD1-CG 3.28Å; N55-K58 WeakPolarHBondContact OD1-CG 3.5Å; N55-K58 PolarHBondContact OD1-N 3.42Å; Y56-K58 VanDerWaalsContact C-N 3.32Å; Y56-K58 PolarHBondContact O-N 2.8Å; K58-S60 PolarHBondContact O-N 2.8Å; K58-R61 WeakPolarHBondContact O-CB 3.19Å; K58-R61 PolarHBondContact O-N 3.5Å; K58-A62 PolarHBondContact O-N 3.43Å
59L98.3Very high96.2Very high2 Ų273.4 Ų73.41%0.0136%0.355CS..Hα-helixtrans-62.5-43.6177.1-174.5153.9000111.3L7 V41 A42 W45 N55 Y56 R61 A62 L63L7-L59 HydrophobicContact CD1-CD1 3.91Å; L7-L59 HydrophobicContact CD1-CG 3.98Å; L7-L59 HydrophobicContact CD2-CD2 4.24Å; L7-L59 HydrophobicContact CD2-CG 3.98Å; V41-L59 HydrophobicContact CG1-CD1 4.32Å; A42-L59 HydrophobicContact CB-CB 4.24Å; A42-L59 HydrophobicContact CB-CD1 3.95Å; W45-L59 HydrophobicContact CB-CD1 4.02Å; W45-L59 HydrophobicContact CG-CD1 4.27Å; N55-L59 WeakPolarHBondContact O-CB 3.34Å; N55-L59 PolarHBondContact O-N 3.02Å; Y56-L59 HydrophobicContact CD2-CD2 4.46Å; Y56-L59 PolarHBondContact O-N 3.41Å; L59-R61 PolarHBondContact O-N 3.05Å; L59-A62 WeakPolarHBondContact O-CA 3.42Å; L59-A62 WeakPolarHBondContact O-CB 3.32Å; L59-A62 PolarHBondContact O-N 2.93Å; L59-L63 HydrophobicContact CD2-CD1 3.72Å; L59-L63 HydrophobicContact CD2-CG 3.98Å; L59-L63 PolarHBondContact O-N 3.25Å
60S97.8Very high96.2Very high1 Ų173.2 Ų73.21%0.00736%0.358CS..Hα-helixtrans-64.1-31.6178.677.10000111.5Y56 D57 K58 A62 L63 R64Y56-S60 WeakPolarHBondContact O-CB 3.49Å; Y56-S60 PolarHBondContact O-N 3.38Å; Y56-S60 PolarHBondContact O-OG 3.28Å; D57-S60 PolarHBondContact O-OG 3.35Å; K58-S60 PolarHBondContact O-N 2.8Å; S60-A62 VanDerWaalsContact C-N 3.31Å; S60-A62 PolarHBondContact O-N 3.01Å; S60-L63 WeakPolarHBondContact O-CB 3.4Å; S60-L63 PolarHBondContact O-N 3.39Å; S60-R64 WeakPolarHBondContact O-CG 3.29Å; S60-R64 PolarHBondContact O-N 2.98Å; S60-R64 PolarHBondContact OG-NH1 3.11Å
61R98.1Very high96.3Very high109 Ų10966.6 Ų66.641%0.41132%0.322SS..Hα-helixtrans-61.1-39.8171.7-172.566-175.187.4-6.5112D57 K58 L59 R64 Y65D57-R61 PolarHBondContact O-N 2.9Å; D57-R61 VanDerWaalsContact O-N 3.1Å; K58-R61 WeakPolarHBondContact O-CB 3.19Å; K58-R61 PolarHBondContact O-N 3.5Å; L59-R61 PolarHBondContact O-N 3.05Å; R61-R64 PolarHBondContact O-N 2.96Å; R61-Y65 HydrophobicContact CG-CE2 4.07Å; R61-Y65 VanDerWaalsContact CZ-CE1 3.46Å; R61-Y65 VanDerWaalsContact NH1-CD1 3.3Å; R61-Y65 VanDerWaalsContact NH2-CE1 3.29Å; R61-Y65 PolarHBondContact NH2-OH 3.07Å; R61-Y65 VanDerWaalsContact O-CD2 3.27Å; R61-Y65 WeakPolarHBondContact O-CD2 3.46Å; R61-Y65 PolarHBondContact O-N 3.43Å
62A96Very high96.4Very high26 Ų2661.9 Ų61.922%0.21530%0.302CS..Hα-helixtrans-67.5-40.8173.800000112.3L7 K58 L59 S60 R64 Y65 Y66L7-A62 HydrophobicContact CD2-CB 3.61Å; K58-A62 PolarHBondContact O-N 3.43Å; L59-A62 WeakPolarHBondContact O-CA 3.42Å; L59-A62 WeakPolarHBondContact O-CB 3.32Å; L59-A62 PolarHBondContact O-N 2.93Å; S60-A62 VanDerWaalsContact C-N 3.31Å; S60-A62 PolarHBondContact O-N 3.01Å; A62-R64 VanDerWaalsContact C-N 3.28Å; A62-R64 PolarHBondContact O-N 3.42Å; A62-Y65 WeakPolarHBondContact O-CB 3.31Å; A62-Y65 PolarHBondContact O-N 3.2Å; A62-Y65 VanDerWaalsContact O-N 3.13Å; A62-Y66 PolarHBondContact O-N 3.4Å
63L97.6Very high96.5Very high0 Ų060.8 Ų60.80%029%0.285CS..Hα-helixtrans-58.1-40173-69.8177.4000112.3L7 L11 L35 L59 S60 Y65 Y66 Y67 I72 Y82L7-L63 HydrophobicContact CD2-CD2 4.22Å; L7-L63 HydrophobicContact CD2-CG 4.34Å; L11-L63 HydrophobicContact CD1-CD2 3.74Å; L35-L63 HydrophobicContact CD1-CD1 4.4Å; L59-L63 HydrophobicContact CD2-CD1 3.72Å; L59-L63 HydrophobicContact CD2-CG 3.98Å; L59-L63 PolarHBondContact O-N 3.25Å; S60-L63 WeakPolarHBondContact O-CB 3.4Å; S60-L63 PolarHBondContact O-N 3.39Å; L63-Y65 VanDerWaalsContact C-N 3.32Å; L63-Y65 PolarHBondContact O-N 3.44Å; L63-Y66 HydrophobicContact CD2-CD2 4.15Å; L63-Y66 WeakPolarHBondContact O-CB 3.44Å; L63-Y66 PolarHBondContact O-N 3.17Å; L63-Y66 VanDerWaalsContact O-N 3.08Å; L63-Y67 WeakPolarHBondContact O-CD1 3.31Å; L63-Y67 WeakPolarHBondContact O-CE1 3.41Å; L63-I72 HydrophobicContact CD2-CD1 3.89Å; L63-Y82 HydrophobicContact CD1-CD1 4.4Å; L63-Y82 HydrophobicContact CD1-CD2 4.11Å; L63-Y82 HydrophobicContact CD1-CE1 4.07Å; L63-Y82 HydrophobicContact CD1-CE2 3.73Å; L63-Y82 HydrophobicContact CD1-CG 4.42Å
64R97.5Very high96.6Very high124 Ų12457.8 Ų57.847%0.46827%0.266SS..Hα-helixtrans-63-36.9176.3-68.2179.4-166.8109-1.7112.6S60 R61 A62 Y66 Y67S60-R64 WeakPolarHBondContact O-CG 3.29Å; S60-R64 PolarHBondContact O-N 2.98Å; S60-R64 PolarHBondContact OG-NH1 3.11Å; R61-R64 PolarHBondContact O-N 2.96Å; A62-R64 VanDerWaalsContact C-N 3.28Å; A62-R64 PolarHBondContact O-N 3.42Å; R64-Y66 PolarHBondContact O-N 3.08Å; R64-Y67 HydrophobicContact CB-CD2 4.44Å; R64-Y67 HydrophobicContact CB-CE2 4.14Å; R64-Y67 HydrophobicContact CG-CE2 3.82Å; R64-Y67 WeakPolarHBondContact O-CB 3.49Å; R64-Y67 PolarHBondContact O-N 3.22Å; R64-Y67 VanDerWaalsContact O-N 3.11Å
65Y96.1Very high96.6Very high110 Ų11057.9 Ų57.943%0.43127%0.268SS..Hα-helixtrans-64.4-25.5174.2-69.7-56.9000112.7R61 A62 L63 Y67 V68R61-Y65 HydrophobicContact CG-CE2 4.07Å; R61-Y65 VanDerWaalsContact CZ-CE1 3.46Å; R61-Y65 VanDerWaalsContact NH1-CD1 3.3Å; R61-Y65 VanDerWaalsContact NH2-CE1 3.29Å; R61-Y65 PolarHBondContact NH2-OH 3.07Å; R61-Y65 VanDerWaalsContact O-CD2 3.27Å; R61-Y65 WeakPolarHBondContact O-CD2 3.46Å; R61-Y65 PolarHBondContact O-N 3.43Å; A62-Y65 WeakPolarHBondContact O-CB 3.31Å; A62-Y65 PolarHBondContact O-N 3.2Å; A62-Y65 VanDerWaalsContact O-N 3.13Å; L63-Y65 VanDerWaalsContact C-N 3.32Å; L63-Y65 PolarHBondContact O-N 3.44Å; Y65-Y67 VanDerWaalsContact C-N 3.25Å; Y65-Y67 PolarHBondContact O-N 2.75Å; Y65-V68 VanDerWaalsContact O-CG2 3.25Å; Y65-V68 WeakPolarHBondContact O-CG2 3.47Å
66Y96.5Very high96.5Very high27 Ų2762.3 Ų62.311%0.10629%0.291CS..Hα-helixtrans-73.1-15.1174.6-67-36.6000114.6L7 W8 A62 L63 R64 K69 N70 I71 I72L7-Y66 HydrophobicContact CB-CE2 4.1Å; L7-Y66 WeakPolarHBondContact CB-OH 3.5Å; L7-Y66 HydrophobicContact CD2-CE2 4.11Å; L7-Y66 HydrophobicContact CG-CE2 4.23Å; L7-Y66 PolarHBondContact N-OH 3Å; W8-Y66 HydrophobicContact CB-CE2 3.93Å; W8-Y66 AromaticContact CD1-CZ 3.93Å; W8-Y66 PolarHBondContact N-OH 3.5Å; A62-Y66 PolarHBondContact O-N 3.4Å; L63-Y66 HydrophobicContact CD2-CD2 4.15Å; L63-Y66 WeakPolarHBondContact O-CB 3.44Å; L63-Y66 PolarHBondContact O-N 3.17Å; L63-Y66 VanDerWaalsContact O-N 3.08Å; R64-Y66 PolarHBondContact O-N 3.08Å; Y66-K69 PolarHBondContact O-N 3.5Å; Y66-N70 PolarHBondContact O-N 3.14Å; Y66-I71 HydrophobicContact CD1-CB 4.18Å; Y66-I71 HydrophobicContact CD1-CD1 3.67Å; Y66-I71 HydrophobicContact CD1-CG1 4.39Å; Y66-I71 HydrophobicContact CE1-CD1 3.93Å; Y66-I71 HydrophobicContact CG-CB 4.24Å; Y66-I71 PolarHBondContact O-N 3.02Å; Y66-I71 VanDerWaalsContact O-N 3.07Å; Y66-I72 CarbonylContact C-O 3.37Å; Y66-I72 HydrophobicContact CD2-CD1 3.98Å; Y66-I72 HydrophobicContact CE2-CD1 4.48Å
67Y95.2Very high96.4Very high66 Ų6665.3 Ų65.326%0.25933%0.331SS..Hα-helixtrans-66.5-50.1-179.8-59.2-5.5000110.3L63 R64 Y65 K69 N70 I72 K74 Y82L63-Y67 WeakPolarHBondContact O-CD1 3.31Å; L63-Y67 WeakPolarHBondContact O-CE1 3.41Å; R64-Y67 HydrophobicContact CB-CD2 4.44Å; R64-Y67 HydrophobicContact CB-CE2 4.14Å; R64-Y67 HydrophobicContact CG-CE2 3.82Å; R64-Y67 WeakPolarHBondContact O-CB 3.49Å; R64-Y67 PolarHBondContact O-N 3.22Å; R64-Y67 VanDerWaalsContact O-N 3.11Å; Y65-Y67 VanDerWaalsContact C-N 3.25Å; Y65-Y67 PolarHBondContact O-N 2.75Å; Y67-K69 VanDerWaalsContact C-N 3.34Å; Y67-N70 PolarHBondContact O-N 3.18Å; Y67-I72 WeakPolarHBondContact CA-O 3.39Å; Y67-I72 VanDerWaalsContact CD1-O 3.28Å; Y67-I72 WeakPolarHBondContact CD1-O 3.42Å; Y67-I72 PolarHBondContact N-O 3.41Å; Y67-K74 HydrophobicContact CE1-CB 4.21Å; Y67-K74 HydrophobicContact CE2-CB 3.98Å; Y67-Y82 HydrophobicContact CE1-CD1 4.49Å; Y67-Y82 WeakPolarHBondContact OH-CE1 3.43Å
68V92.4Very high96.3Very high104 Ų10464.1 Ų64.163%0.6332%0.322SS*.Hα-helixtrans-63.8-44.4177.4-64.20000109.6Y65 N70 I101Y65-V68 VanDerWaalsContact O-CG2 3.25Å; Y65-V68 WeakPolarHBondContact O-CG2 3.47Å; V68-N70 PolarHBondContact O-N 2.96Å; V68-N70 PolarHBondContact O-ND2 3.34Å; V68-I101 WeakPolarHBondContact O-CD1 3.38Å
69K91.8Very high96.3Very high89 Ų8967.1 Ų67.139%0.38734%0.335SS..THydrogen-bonded Turntrans-68.31.8179-62-173.164.8168.50115.1Y66 Y67 I71 G99Y66-K69 PolarHBondContact O-N 3.5Å; Y67-K69 VanDerWaalsContact C-N 3.34Å; K69-I71 HydrophobicContact CB-CD1 4.02Å; K69-I71 HydrophobicContact CB-CG1 4Å; K69-I71 HydrophobicContact CD-CD1 4.43Å; K69-I71 PolarHBondContact O-N 2.73Å; K69-I71 VanDerWaalsContact O-N 3.14Å; K69-G99 WeakPolarHBondContact CE-O 3.43Å; K69-G99 WeakPolarHBondContact O-CA 3.49Å
70N93.9Very high96.3Very high80 Ų8070.3 Ų70.343%0.42835%0.349SS..THydrogen-bonded Turntrans51.435.4-176.8-71.2-67000114.3Y66 Y67 V68 K73 V85Y66-N70 PolarHBondContact O-N 3.14Å; Y67-N70 PolarHBondContact O-N 3.18Å; V68-N70 PolarHBondContact O-N 2.96Å; V68-N70 PolarHBondContact O-ND2 3.34Å; N70-K73 VanDerWaalsContact OD1-CE 3.3Å; N70-K73 WeakPolarHBondContact OD1-CE 3.49Å; N70-K73 PolarHBondContact OD1-NZ 2.9Å; N70-V85 VanDerWaalsContact O-CB 3.27Å; N70-V85 WeakPolarHBondContact O-CB 3.44Å; N70-V85 WeakPolarHBondContact O-CG2 3.48Å
71I95.3Very high96.3Very high4 Ų470.2 Ų70.22%0.02135%0.348CS..SBendtrans-95.6-50.7176.5-57.7175.6000109.8W8 Y66 K69 V85 I90 V98W8-I71 HydrophobicContact CB-CG2 3.97Å; W8-I71 HydrophobicContact CD2-CG2 4.4Å; W8-I71 HydrophobicContact CG-CG2 3.95Å; Y66-I71 HydrophobicContact CD1-CB 4.18Å; Y66-I71 HydrophobicContact CD1-CD1 3.67Å; Y66-I71 HydrophobicContact CD1-CG1 4.39Å; Y66-I71 HydrophobicContact CE1-CD1 3.93Å; Y66-I71 HydrophobicContact CG-CB 4.24Å; Y66-I71 PolarHBondContact O-N 3.02Å; Y66-I71 VanDerWaalsContact O-N 3.07Å; K69-I71 HydrophobicContact CB-CD1 4.02Å; K69-I71 HydrophobicContact CB-CG1 4Å; K69-I71 HydrophobicContact CD-CD1 4.43Å; K69-I71 PolarHBondContact O-N 2.73Å; K69-I71 VanDerWaalsContact O-N 3.14Å; I71-V85 PolarHBondContact O-N 3.26Å; I71-I90 HydrophobicContact CG2-CD1 3.95Å; I71-V98 HydrophobicContact CB-CG1 4.43Å; I71-V98 HydrophobicContact CD1-CG1 3.74Å; I71-V98 HydrophobicContact CG1-CG1 3.7Å; I71-V98 HydrophobicContact CG2-CG1 3.96Å
72I97.3Very high96.3Very high0 Ų065.5 Ų65.50%033%0.33CS..EExtended strand (participates in β ladder)trans-131.5144.9178-70.9168.2000107.6W8 L11 F33 L63 Y66 Y67 Y82 K83 F84W8-I72 HydrophobicContact CB-CD1 4.24Å; L11-I72 HydrophobicContact CD1-CD1 4.37Å; F33-I72 HydrophobicContact CE1-CD1 4.47Å; F33-I72 HydrophobicContact CZ-CD1 4.29Å; L63-I72 HydrophobicContact CD2-CD1 3.89Å; Y66-I72 CarbonylContact C-O 3.37Å; Y66-I72 HydrophobicContact CD2-CD1 3.98Å; Y66-I72 HydrophobicContact CE2-CD1 4.48Å; Y67-I72 WeakPolarHBondContact CA-O 3.39Å; Y67-I72 VanDerWaalsContact CD1-O 3.28Å; Y67-I72 WeakPolarHBondContact CD1-O 3.42Å; Y67-I72 PolarHBondContact N-O 3.41Å; I72-Y82 HydrophobicContact CG2-CD1 4.32Å; I72-Y82 HydrophobicContact CG2-CG 4.44Å; I72-K83 CarbonylContact C-O 3.47Å; I72-K83 VanDerWaalsContact CA-O 3.28Å; I72-K83 WeakPolarHBondContact CA-O 3.32Å; I72-F84 HydrophobicContact CD1-CD1 4.15Å; I72-F84 HydrophobicContact CD1-CE1 3.68Å; I72-F84 HydrophobicContact CD1-CZ 4.01Å; I72-F84 HydrophobicContact CG1-CD1 3.6Å; I72-F84 HydrophobicContact CG1-CE1 3.68Å; I72-F84 HydrophobicContact CG1-CG 4.24Å; I72-F84 HydrophobicContact CG1-CZ 4.34Å
73K97.3Very high96.4Very high93 Ų9367.5 Ų67.540%0.40433%0.334SS..EExtended strand (participates in β ladder)trans-120.5153.9172-74.6174.5-175.9176.30111N70 Y82 K83 V85N70-K73 VanDerWaalsContact OD1-CE 3.3Å; N70-K73 WeakPolarHBondContact OD1-CE 3.49Å; N70-K73 PolarHBondContact OD1-NZ 2.9Å; K73-Y82 CarbonylContact O-C 3.57Å; K73-Y82 WeakPolarHBondContact O-CA 3.48Å; K73-K83 PolarHBondContact N-O 3.25Å; K73-K83 PolarHBondContact O-N 3.43Å; K73-V85 HydrophobicContact CB-CG2 4.36Å; K73-V85 HydrophobicContact CD-CG2 3.7Å; K73-V85 HydrophobicContact CG-CG2 3.6Å
74K97.7Very high96.4Very high65 Ų6567.5 Ų67.528%0.28333%0.334SS..EExtended strand (participates in β ladder)trans-77.3135.4171.9-178.663.8-166.8159.60110.1Y67 Q78 V81 Y82Y67-K74 HydrophobicContact CE1-CB 4.21Å; Y67-K74 HydrophobicContact CE2-CB 3.98Å; K74-Q78 WeakPolarHBondContact CE-O 3.28Å; K74-Q78 PolarHBondContact NZ-O 3.08Å; K74-V81 PolarHBondContact NZ-O 3.2Å; K74-Y82 HydrophobicContact CD-CD1 3.89Å; K74-Y82 HydrophobicContact CD-CE1 3.45Å; K74-Y82 VanDerWaalsContact CD-CE1 3.45Å
75V97.8Very high96.3Very high24 Ų2463.8 Ų63.815%0.14533%0.325CS..  trans-86.8114.5165.6-179.30000108.5Q32 Q78 V81 K83Q32-V75 HydrophobicContact CG-CG2 3.98Å; V75-Q78 HydrophobicContact CG1-CB 4.17Å; V75-Q78 HydrophobicContact CG1-CG 4.16Å; V75-V81 HydrophobicContact CB-CB 4.07Å; V75-V81 HydrophobicContact CB-CG1 3.79Å; V75-V81 HydrophobicContact CG1-CG1 4.21Å; V75-V81 HydrophobicContact CG2-CB 4.48Å; V75-V81 HydrophobicContact CG2-CG1 3.75Å; V75-V81 PolarHBondContact N-O 3.24Å; V75-K83 HydrophobicContact CG2-CB 4.16Å
76N96.1Very high96.1Very high143 Ų14360.9 Ų60.977%0.76532%0.321SS*.THydrogen-bonded Turntrans-67.6148.3-178.3-69.6-15.5000111.2Q78N76-Q78 PolarHBondContact O-N 3.2Å; N76-Q78 VanDerWaalsContact O-N 3.11Å
77G95.9Very high95.9Very high91 Ų9162.5 Ų62.594%0.93833%0.327SS*.THydrogen-bonded Turntrans73.4-7.9-178.200000115.2
78Q96.9Very high95.7Very high88 Ų8862.6 Ų62.641%0.41134%0.336SS..  trans-117.4117.6-178.6-63.1-162.554.700112.6K74 V75 N76 F80 V81K74-Q78 WeakPolarHBondContact CE-O 3.28Å; K74-Q78 PolarHBondContact NZ-O 3.08Å; V75-Q78 HydrophobicContact CG1-CB 4.17Å; V75-Q78 HydrophobicContact CG1-CG 4.16Å; N76-Q78 PolarHBondContact O-N 3.2Å; N76-Q78 VanDerWaalsContact O-N 3.11Å; Q78-F80 PolarHBondContact O-N 3.34Å; Q78-V81 HydrophobicContact CB-CB 3.69Å; Q78-V81 HydrophobicContact CB-CG1 4.47Å; Q78-V81 HydrophobicContact CB-CG2 3.6Å
79K97Very high95.6Very high163 Ų16362.7 Ų62.771%0.70933%0.33SS*.THydrogen-bonded Turntrans-66132.5176.6-67-178.169.31770110.1V81K79-V81 PolarHBondContact O-N 3.11Å; K79-V81 VanDerWaalsContact O-N 3.08Å
80F98.2Very high95.4Very high69 Ų6958.8 Ų58.830%0.30331%0.313SS..THydrogen-bonded Turntrans61.311.7177.4-48.7-65.6000116.6K34 L35 A38 Y56 Q78 Y82K34-F80 WeakPolarHBondContact CA-O 3.15Å; L35-F80 HydrophobicContact CB-CB 4.14Å; L35-F80 PolarHBondContact N-O 3.24Å; L35-F80 WeakPolarHBondContact O-CB 3.47Å; A38-F80 HydrophobicContact CB-CD1 3.92Å; A38-F80 HydrophobicContact CB-CE1 4.02Å; Y56-F80 HydrophobicContact CD1-CE1 4.08Å; Y56-F80 AromaticContact CE1-CD1 3.9Å; Y56-F80 HydrophobicContact CE1-CD1 3.9Å; Y56-F80 AromaticContact CE1-CE1 3.49Å; Y56-F80 HydrophobicContact CE1-CE1 3.49Å; Y56-F80 VanDerWaalsContact CE1-CE1 3.49Å; Y56-F80 HydrophobicContact CE2-CD1 4.17Å; Y56-F80 HydrophobicContact CE2-CE1 4.47Å; Y56-F80 AromaticContact CZ-CD1 3.56Å; Y56-F80 AromaticContact CZ-CE1 3.69Å; Y56-F80 WeakPolarHBondContact OH-CD1 3.36Å; Q78-F80 PolarHBondContact O-N 3.34Å; F80-Y82 WeakPolarHBondContact O-CD2 3.12Å
81V98.4Very high95.1Very high0 Ų058.3 Ų58.30%031%0.31CS..EExtended strand (participates in β ladder)trans-97136.9174.9-171.80000110.6Q32 F33 K34 K74 V75 Q78 K79Q32-V81 HydrophobicContact CG-CG1 3.69Å; F33-V81 WeakPolarHBondContact O-CA 3.5Å; F33-V81 WeakPolarHBondContact O-CG1 3.44Å; K34-V81 HydrophobicContact CB-CG2 4.02Å; K34-V81 HydrophobicContact CD-CG2 3.84Å; K34-V81 HydrophobicContact CG-CG2 3.79Å; K74-V81 PolarHBondContact NZ-O 3.2Å; V75-V81 HydrophobicContact CB-CB 4.07Å; V75-V81 HydrophobicContact CB-CG1 3.79Å; V75-V81 HydrophobicContact CG1-CG1 4.21Å; V75-V81 HydrophobicContact CG2-CB 4.48Å; V75-V81 HydrophobicContact CG2-CG1 3.75Å; V75-V81 PolarHBondContact N-O 3.24Å; Q78-V81 HydrophobicContact CB-CB 3.69Å; Q78-V81 HydrophobicContact CB-CG1 4.47Å; Q78-V81 HydrophobicContact CB-CG2 3.6Å; K79-V81 PolarHBondContact O-N 3.11Å; K79-V81 VanDerWaalsContact O-N 3.08Å
82Y98.4Very high94.7Very high9 Ų965.4 Ų65.44%0.03535%0.348CS..EExtended strand (participates in β ladder)trans-142.4165.2-177.8-61-79.2000109.4Q32 F33 L35 Y56 L63 Y67 I72 K73 K74 F80Q32-Y82 WeakPolarHBondContact CA-O 3.26Å; Q32-Y82 WeakPolarHBondContact CG-O 3.44Å; F33-Y82 HydrophobicContact CE2-CD2 4.24Å; F33-Y82 HydrophobicContact CZ-CD2 4.48Å; F33-Y82 HydrophobicContact CZ-CG 4.33Å; F33-Y82 PolarHBondContact N-O 2.94Å; F33-Y82 PolarHBondContact O-N 2.86Å; L35-Y82 HydrophobicContact CD1-CD2 4.3Å; L35-Y82 HydrophobicContact CD1-CE2 3.91Å; L35-Y82 HydrophobicContact CG-CD2 4.5Å; L35-Y82 HydrophobicContact CG-CE2 4.49Å; Y56-Y82 PolarHBondContact OH-OH 3.44Å; L63-Y82 HydrophobicContact CD1-CD1 4.4Å; L63-Y82 HydrophobicContact CD1-CD2 4.11Å; L63-Y82 HydrophobicContact CD1-CE1 4.07Å; L63-Y82 HydrophobicContact CD1-CE2 3.73Å; L63-Y82 HydrophobicContact CD1-CG 4.42Å; Y67-Y82 HydrophobicContact CE1-CD1 4.49Å; Y67-Y82 WeakPolarHBondContact OH-CE1 3.43Å; I72-Y82 HydrophobicContact CG2-CD1 4.32Å; I72-Y82 HydrophobicContact CG2-CG 4.44Å; K73-Y82 CarbonylContact O-C 3.57Å; K73-Y82 WeakPolarHBondContact O-CA 3.48Å; K74-Y82 HydrophobicContact CD-CD1 3.89Å; K74-Y82 HydrophobicContact CD-CE1 3.45Å; K74-Y82 VanDerWaalsContact CD-CE1 3.45Å; F80-Y82 WeakPolarHBondContact O-CD2 3.12Å
83K98Very high94Very high68 Ų6869.6 Ų69.630%0.29637%0.369SS..EExtended strand (participates in β ladder)trans-140.4131.2180-179.5173.7175176.70110.7D30 G31 Q32 I72 K73 V75D30-K83 WeakPolarHBondContact O-CE 3.18Å; D30-K83 VanDerWaalsContact OD2-CE 3.22Å; D30-K83 WeakPolarHBondContact OD2-CE 3.43Å; D30-K83 IonicContact OD2-NZ 2.63Å; D30-K83 PolarHBondContact OD2-NZ 3.38Å; G31-K83 WeakPolarHBondContact O-CA 3.49Å; Q32-K83 HydrophobicContact CB-CB 4.43Å; Q32-K83 HydrophobicContact CB-CG 4.39Å; Q32-K83 HydrophobicContact CG-CB 4.41Å; I72-K83 CarbonylContact C-O 3.47Å; I72-K83 VanDerWaalsContact CA-O 3.28Å; I72-K83 WeakPolarHBondContact CA-O 3.32Å; K73-K83 PolarHBondContact N-O 3.25Å; K73-K83 PolarHBondContact O-N 3.43Å; V75-K83 HydrophobicContact CG2-CB 4.16Å
84F97.2Very high93.2Very high0 Ų069.5 Ų69.50%037%0.373CS..EExtended strand (participates in β ladder)trans-67.4132.7166.5-76.2-79.7000109.6W8 L12 L15 W26 G31 F33 I72 I90W8-F84 HydrophobicContact CB-CE1 4.16Å; W8-F84 HydrophobicContact CE3-CE1 4.45Å; L12-F84 HydrophobicContact CB-CZ 4.29Å; L12-F84 HydrophobicContact CD1-CE2 4.28Å; L12-F84 HydrophobicContact CD1-CZ 4.42Å; L15-F84 HydrophobicContact CD1-CE2 4.12Å; W26-F84 AromaticContact CH2-CD2 3.75Å; W26-F84 HydrophobicContact CH2-CD2 3.75Å; W26-F84 AromaticContact CH2-CE2 3.88Å; W26-F84 HydrophobicContact CH2-CE2 3.88Å; W26-F84 AromaticContact CZ3-CD2 3.87Å; W26-F84 HydrophobicContact CZ3-CD2 3.87Å; W26-F84 HydrophobicContact CZ3-CE2 4.25Å; G31-F84 PolarHBondContact O-N 2.95Å; F33-F84 AromaticContact CD1-CD2 3.8Å; F33-F84 HydrophobicContact CD1-CD2 3.8Å; F33-F84 AromaticContact CD1-CE2 3.8Å; F33-F84 HydrophobicContact CD1-CE2 3.8Å; F33-F84 AromaticContact CE1-CD2 3.68Å; F33-F84 HydrophobicContact CE1-CD2 3.68Å; F33-F84 AromaticContact CE1-CE2 3.53Å; F33-F84 HydrophobicContact CE1-CE2 3.53Å; F33-F84 HydrophobicContact CE1-CZ 4.26Å; F33-F84 HydrophobicContact CZ-CE2 4.32Å; I72-F84 HydrophobicContact CD1-CD1 4.15Å; I72-F84 HydrophobicContact CD1-CE1 3.68Å; I72-F84 HydrophobicContact CD1-CZ 4.01Å; I72-F84 HydrophobicContact CG1-CD1 3.6Å; I72-F84 HydrophobicContact CG1-CE1 3.68Å; I72-F84 HydrophobicContact CG1-CG 4.24Å; I72-F84 HydrophobicContact CG1-CZ 4.34Å; F84-I90 HydrophobicContact CD1-CD1 3.72Å; F84-I90 HydrophobicContact CD1-CG2 4.48Å; F84-I90 HydrophobicContact CE1-CD1 4.11Å
85V95Very high92.3Very high47 Ų4768.9 Ų68.929%0.28538%0.376SS..SBendtrans-70.1-42.9-172.2179.40000111.7N70 I71 K73N70-V85 VanDerWaalsContact O-CB 3.27Å; N70-V85 WeakPolarHBondContact O-CB 3.44Å; N70-V85 WeakPolarHBondContact O-CG2 3.48Å; I71-V85 PolarHBondContact O-N 3.26Å; K73-V85 HydrophobicContact CB-CG2 4.36Å; K73-V85 HydrophobicContact CD-CG2 3.7Å; K73-V85 HydrophobicContact CG-CG2 3.6Å
86S91.3Very high91.4Very high49 Ų4974.2 Ų74.234%0.34340%0.401SS..SBendtrans-11884.4-179.2-51.10000109.3I90S86-I90 WeakPolarHBondContact O-CB 3.45Å; S86-I90 WeakPolarHBondContact O-CG2 3.47Å; S86-I90 PolarHBondContact O-N 2.82Å
87Y92.8Very high90.5Very high60 Ų6070.9 Ų70.924%0.23539%0.386CS..THydrogen-bonded Turntrans-122.8130.9177.4-177-87.1000109.3L12 W26 E89 I90 L91L12-Y87 HydrophobicContact CD1-CE2 4.43Å; W26-Y87 AromaticContact CH2-CD2 3.99Å; W26-Y87 HydrophobicContact CH2-CD2 3.99Å; W26-Y87 AromaticContact CH2-CE2 3.6Å; W26-Y87 HydrophobicContact CH2-CE2 3.6Å; W26-Y87 AromaticContact CZ2-CE2 3.82Å; W26-Y87 HydrophobicContact CZ2-CE2 3.82Å; W26-Y87 HydrophobicContact CZ3-CE2 4.35Å; Y87-E89 PolarHBondContact N-OE2 3.07Å; Y87-I90 HydrophobicContact CD2-CG2 4.21Å; Y87-L91 HydrophobicContact CE2-CD1 4.22Å; Y87-L91 HydrophobicContact CE2-CD2 4.11Å; Y87-L91 HydrophobicContact CE2-CG 4.23Å
88P90.8Very high89.9Confident69 Ų6967.2 Ų67.245%0.44835%0.345SS..THydrogen-bonded Turncis-894.312.935.4-36.7000115.9I90 L91P88-I90 PolarHBondContact O-N 3.2Å; P88-I90 VanDerWaalsContact O-N 3.16Å; P88-L91 HydrophobicContact CB-CD1 4.04Å; P88-L91 HydrophobicContact CB-CG 4.48Å; P88-L91 VanDerWaalsContact O-CB 3.25Å; P88-L91 WeakPolarHBondContact O-CB 3.41Å; P88-L91 WeakPolarHBondContact O-CG 3.47Å; P88-L91 PolarHBondContact O-N 3.15Å
89E90.1Very high88.6Confident105 Ų10564 Ų6449%0.49134%0.335SS..G310 helixtrans-58.7-35.4-170.9-62.369.9-148.900112.9Y87 L91 N92 M93Y87-E89 PolarHBondContact N-OE2 3.07Å; E89-L91 PolarHBondContact O-N 3.19Å; E89-L91 VanDerWaalsContact O-N 3.07Å; E89-N92 PolarHBondContact O-N 3.04Å; E89-M93 PolarHBondContact O-N 3.2Å
90I88.6Confident87.4Confident7 Ų765.4 Ų65.44%0.03634%0.336CS..G310 helixtrans-59.2-20.2177.6-164.3169.7000113.6W8 I71 F84 S86 Y87 P88 N92 V98W8-I90 HydrophobicContact CD2-CD1 4.37Å; W8-I90 HydrophobicContact CE3-CD1 3.77Å; W8-I90 HydrophobicContact CE3-CG1 4.08Å; W8-I90 HydrophobicContact CH2-CG1 4.17Å; W8-I90 HydrophobicContact CZ3-CD1 3.91Å; W8-I90 HydrophobicContact CZ3-CG1 3.67Å; I71-I90 HydrophobicContact CG2-CD1 3.95Å; F84-I90 HydrophobicContact CD1-CD1 3.72Å; F84-I90 HydrophobicContact CD1-CG2 4.48Å; F84-I90 HydrophobicContact CE1-CD1 4.11Å; S86-I90 WeakPolarHBondContact O-CB 3.45Å; S86-I90 WeakPolarHBondContact O-CG2 3.47Å; S86-I90 PolarHBondContact O-N 2.82Å; Y87-I90 HydrophobicContact CD2-CG2 4.21Å; P88-I90 PolarHBondContact O-N 3.2Å; P88-I90 VanDerWaalsContact O-N 3.16Å; I90-N92 VanDerWaalsContact C-N 3.25Å; I90-N92 PolarHBondContact O-N 2.81Å; I90-V98 HydrophobicContact CD1-CG1 4.17Å; I90-V98 HydrophobicContact CG1-CG1 4.46Å; I90-V98 HydrophobicContact CG1-CG2 4.45Å
91L87.5Confident85.5Confident71 Ų7166.5 Ų66.537%0.37234%0.344SS..G310 helixtrans-65.4-30.7176.4-60.7-177.3000112.3L12 Y87 P88 E89L12-L91 HydrophobicContact CD1-CD2 3.67Å; L12-L91 HydrophobicContact CD2-CD2 3.44Å; L12-L91 VanDerWaalsContact CD2-CD2 3.44Å; L12-L91 HydrophobicContact CG-CD2 3.91Å; Y87-L91 HydrophobicContact CE2-CD1 4.22Å; Y87-L91 HydrophobicContact CE2-CD2 4.11Å; Y87-L91 HydrophobicContact CE2-CG 4.23Å; P88-L91 HydrophobicContact CB-CD1 4.04Å; P88-L91 HydrophobicContact CB-CG 4.48Å; P88-L91 VanDerWaalsContact O-CB 3.25Å; P88-L91 WeakPolarHBondContact O-CB 3.41Å; P88-L91 WeakPolarHBondContact O-CG 3.47Å; P88-L91 PolarHBondContact O-N 3.15Å; E89-L91 PolarHBondContact O-N 3.19Å; E89-L91 VanDerWaalsContact O-N 3.07Å
92N86.3Confident83.1Confident153 Ų15376.4 Ų76.482%0.81839%0.39SS*.THydrogen-bonded Turntrans-107.5-2-174.4-61.8-16.5000112.7E89 I90E89-N92 PolarHBondContact O-N 3.04Å; I90-N92 VanDerWaalsContact C-N 3.25Å; I90-N92 PolarHBondContact O-N 2.81Å
93M82.3Confident81Confident88 Ų8879 Ų7943%0.43342%0.42SS..SBendtrans-78143.9-178.1-81.3-177.3155.100112.3E89 V98E89-M93 PolarHBondContact O-N 3.2Å; M93-V98 HydrophobicContact CB-CG2 3.67Å; M93-V98 HydrophobicContact SD-CG2 4.26Å
94D81.4Confident78.5Confident90 Ų9083.4 Ų83.448%0.48145%0.446SS..  trans-70129.9173.1-173.6-91.8000110.5M96 T97 V98D94-M96 PolarHBondContact O-N 2.67Å; D94-M96 VanDerWaalsContact OD1-CB 3.29Å; D94-M96 WeakPolarHBondContact OD1-CB 3.36Å; D94-M96 PolarHBondContact OD1-N 3.3Å; D94-T97 HydrophobicContact CB-CG2 4.16Å; D94-T97 PolarHBondContact O-N 2.94Å; D94-T97 PolarHBondContact O-OG1 2.89Å; D94-V98 PolarHBondContact O-N 2.88Å
95P79.1Confident75.9Confident53 Ų5388.5 Ų88.534%0.34448%0.481SS..THydrogen-bonded Turntrans-57.6-24.4-175.1-25.234.9000114.6W8 T97W8-P95 HydrophobicContact CZ2-CB 4.29Å; P95-T97 VanDerWaalsContact C-N 3.26Å; P95-T97 PolarHBondContact O-N 3.23Å
96M77.2Confident73.3Confident136 Ų13694.7 Ų94.767%0.6751%0.507SS*.THydrogen-bonded Turntrans-79.6-12.1178.9-73.258.4-170.200112.2D94 R100D94-M96 PolarHBondContact O-N 2.67Å; D94-M96 VanDerWaalsContact OD1-CB 3.29Å; D94-M96 WeakPolarHBondContact OD1-CB 3.36Å; D94-M96 PolarHBondContact OD1-N 3.3Å; M96-R100 PolarHBondContact O-NE 3.39Å; M96-R100 PolarHBondContact O-NH2 3.18Å; M96-R100 VanDerWaalsContact O-NH2 3.12Å
97T79.1Confident71.1Confident73 Ų7397.9 Ų97.945%0.44853%0.529SS..THydrogen-bonded Turntrans-97.9-23.4176.166.40000112.6D94 P95 G99 R100D94-T97 HydrophobicContact CB-CG2 4.16Å; D94-T97 PolarHBondContact O-N 2.94Å; D94-T97 PolarHBondContact O-OG1 2.89Å; P95-T97 VanDerWaalsContact C-N 3.26Å; P95-T97 PolarHBondContact O-N 3.23Å; T97-G99 PolarHBondContact O-N 3.04Å; T97-R100 PolarHBondContact O-N 2.78Å
98V81.8Confident68.9Low14 Ų14102.4 Ų102.49%0.08556%0.557CS.*THydrogen-bonded Turntrans-68.8114.4-176.1177.10000111.5W8 I71 I90 M93 D94W8-V98 HydrophobicContact CH2-CG2 4.09Å; W8-V98 HydrophobicContact CZ2-CB 4.02Å; W8-V98 HydrophobicContact CZ2-CG1 4Å; W8-V98 HydrophobicContact CZ2-CG2 3.9Å; I71-V98 HydrophobicContact CB-CG1 4.43Å; I71-V98 HydrophobicContact CD1-CG1 3.74Å; I71-V98 HydrophobicContact CG1-CG1 3.7Å; I71-V98 HydrophobicContact CG2-CG1 3.96Å; I90-V98 HydrophobicContact CD1-CG1 4.17Å; I90-V98 HydrophobicContact CG1-CG1 4.46Å; I90-V98 HydrophobicContact CG1-CG2 4.45Å; M93-V98 HydrophobicContact CB-CG2 3.67Å; M93-V98 HydrophobicContact SD-CG2 4.26Å; D94-V98 PolarHBondContact O-N 2.88Å
99G70.6Confident66.9Low19 Ų19105.5 Ų105.520%0.19657%0.569CS.*THydrogen-bonded Turntrans7727.9175.700000115.6K69 T97K69-G99 WeakPolarHBondContact CE-O 3.43Å; K69-G99 WeakPolarHBondContact O-CA 3.49Å; T97-G99 PolarHBondContact O-N 3.04Å
100R71Confident65Low193 Ų193107.4 Ų107.473%0.72858%0.576SS**  trans-71.2129157.5-69.4-168.7-166.2-154.54.2109M96 T97M96-R100 PolarHBondContact O-NE 3.39Å; M96-R100 PolarHBondContact O-NH2 3.18Å; M96-R100 VanDerWaalsContact O-NH2 3.12Å; T97-R100 PolarHBondContact O-N 2.78Å
101I58.6Low62.9Low93 Ų93111.1 Ų111.148%0.47760%0.603SS.*  trans-110.6128.5165.1-66.8176.5000104.9V68 G103V68-I101 WeakPolarHBondContact O-CD1 3.38Å; I101-G103 PolarHBondContact O-N 2.94Å; I101-G103 VanDerWaalsContact O-N 3.12Å
102E49.2Very low60.7Low207 Ų207116.2 Ų116.297%0.96763%0.625SS**SBendtrans-61.8112.8171.3-67.1-167.6126.600108
103G53.8Low58.5Low64 Ų64115.4 Ų115.466%0.6663%0.625SS**SBendtrans114.389.8179.800000115I101I101-G103 PolarHBondContact O-N 2.94Å; I101-G103 VanDerWaalsContact O-N 3.12Å
104D44.8Very low56.6Low160 Ų160116 Ų11686%0.85664%0.638SS**  trans81.8145.5148-145.4-104.8000123.3
105C42.1Very low54.7Low107 Ų107117.1 Ų117.172%0.72365%0.652SS**  trans78.7127.8158.31290000119.4
106E41.6Very low52.5Low177 Ų177119.4 Ų119.483%0.82767%0.67SS**  trans-53.1148-159.6-60.5-172.895.800116L108E106-L108 PolarHBondContact O-N 3.19Å
107S44.2Very low50.8Low116 Ų116118.1 Ų118.181%0.81167%0.674SS**  trans-54.398.3169.5-72.20000110.4N109S107-N109 PolarHBondContact O-N 2.92Å
108L46.3Very low48.8Very low156 Ų156124 Ų12482%0.81769%0.694SS**  trans-6886.2161.8-67.3176.5000107.8E106 F110E106-L108 PolarHBondContact O-N 3.19Å; L108-F110 PolarHBondContact O-N 3.32Å
109N50Low46.8Very low133 Ų133131 Ų13171%0.71173%0.731SS**  trans-56.1112160-97.3-12.9000107S107 S111S107-N109 PolarHBondContact O-N 2.92Å; N109-S111 PolarHBondContact O-N 3.43Å
110F49.5Very low45.5Very low145 Ų145136.9 Ų136.964%0.63676%0.762SS**THydrogen-bonded Turntrans-63.815179.1-177.6-103000113.9L108L108-F110 PolarHBondContact O-N 3.32Å
111S45.7Very low43.9Very low85 Ų85136.3 Ų136.359%0.59477%0.768SS**THydrogen-bonded Turntrans-73.1-28.6-176.7-45.30000113N109N109-S111 PolarHBondContact O-N 3.43Å
112E39.3Very low42.5Very low179 Ų179139.3 Ų139.384%0.83679%0.785SS**  trans-116.885.6-166.9-118.3170.910100112.3
113V41.5Very low41.7Very low136 Ų136132.8 Ų132.882%0.82477%0.773SS**  trans-123.589.1141.667.40000107
114S42.6Very low40.7Very low101 Ų101133.1 Ų133.171%0.70678%0.777SS**  trans-129.6119.4156.7-72.10000103.6
115S40.7Very low40.6Very low112 Ų112134.8 Ų134.878%0.78378%0.776SS**  176.2157.486.6-54.80000105.5
116S33.2Very low40.1Very low102 Ų102137.4 Ų137.471%0.71378%0.783SS**  cis-159.7133.923.5-750000107
117S41.3Very low39.9Very low108 Ų108138.2 Ų138.276%0.75578%0.784SS**  59.7118.691.6-49.90000115.8
118K38Very low39.9Very low197 Ų197137.7 Ų137.786%0.85778%0.778SS**  171.9123.8111.1-90172.3-173.9-174.90111.8
119D39.3Very low39.8Very low162 Ų162136.1 Ų136.187%0.86678%0.777SS**  trans-61.8133.1158.3-51.2-89.9000110.4
120V42.6Very low39.2Very low142 Ų142138.6 Ų138.686%0.86178%0.784SS**  trans-147118155.2166.60000108.7
121E36.8Very low39Very low180 Ų180137.7 Ų137.784%0.84179%0.793SS**  trans-61.3154.4164.6-172.8-17992.400111.7
122N30.5Very low38.4Very low157 Ų157137.2 Ų137.284%0.8480%0.802SS**  trans119.2126.9147-157.710.7000117.8
123G31.1Very low38.6Very low69 Ų69133.4 Ų133.471%0.71180%0.8SS**  10292.9128.800000117.8
124G33.1Very low38.6Very low72 Ų72136.2 Ų136.274%0.74280%0.802SS**  trans-111.1119.5168.100000112.8
125K42.8Very low38.8Very low195 Ų195137.7 Ų137.785%0.84881%0.807SS**  trans71.9128.2159.1-59.9171.3172.7175.30114.7
126D32.7Very low39.2Very low161 Ų161138.2 Ų138.286%0.86181%0.81SS**  -156.5165.251.7-82.6-75000114.2
127K36.9Very low40Very low194 Ų194137.8 Ų137.884%0.84381%0.807SS**  trans-98.8171.9172.5-153.6-160.8170.51770108.6
128P45.1Very low40.9Very low105 Ų105143.3 Ų143.368%0.68281%0.812SS**  cis-134.7-153.5-2.544.3-23.6000112.8
129P44.2Very low41.6Very low123 Ų123140.1 Ų140.180%0.79980%0.804SS**  cis-127.5-179.4-17.430.2-6.3000116.5
130Q37.4Very low42.4Very low185 Ų185139.7 Ų139.786%0.86480%0.802SS**  trans-52.2175176-96.5-177.4-16.500117.5
131P43.8Very low43.2Very low126 Ų126141.9 Ų141.982%0.81880%0.796SS**  cis-145.9171.228.538.4-16.3000118.8
132G33.3Very low44.1Very low76 Ų76138.8 Ų138.878%0.78478%0.784SS**  trans142.5126.415200000119.3
133A43.1Very low45.6Very low98 Ų98139.7 Ų139.781%0.8178%0.783SS**  trans79.1100.1150.700000123
134K42.5Very low46.4Very low195 Ų195146 Ų14685%0.84882%0.816SS**  54.7115.9121.5-65.4-177.7-176.8-179.30122.9
135T45.8Very low47Very low133 Ų133149.7 Ų149.782%0.81682%0.819SS**  trans65.6120.8133.168.70000122
136S48.8Very low47.2Very low123 Ų123147.3 Ų147.386%0.8682%0.818SS**  179.8143.1108.4-165.90000111.6
137S50.4Low48.1Very low93 Ų93146.5 Ų146.565%0.6582%0.815SS**  trans-73.2144.2-168.8-167.90000113.4
138R60.5Low48.7Very low224 Ų224143.7 Ų143.785%0.84581%0.814SS**  trans-131.735.9-178.2-159-170.8174.696.1-0.6113
139N51.8Low48.9Very low130 Ų130146.1 Ų146.170%0.69582%0.822SS**  trans-106.719.7-179-74.6-9.1000114.5Y141N139-Y141 VanDerWaalsContact C-N 3.28Å; N139-Y141 PolarHBondContact O-N 3.41Å; N139-Y141 VanDerWaalsContact O-N 3.15Å
140D57.7Low49.2Very low153 Ų153147.7 Ų147.782%0.81882%0.823SS**THydrogen-bonded Turntrans-78.114.1-175.9-77.5-71000116.6
141Y58.6Low50.1Low187 Ų187145 Ų14573%0.73382%0.82SS**THydrogen-bonded Turntrans-101.13.5-174.273.9-93.8000115.9N139N139-Y141 VanDerWaalsContact C-N 3.28Å; N139-Y141 PolarHBondContact O-N 3.41Å; N139-Y141 VanDerWaalsContact O-N 3.15Å
142I56.4Low50.6Low116 Ų116146.5 Ų146.560%0.59582%0.821SS**SBendtrans-89.54.8-170.7-68.1-171.6000115
143H61.1Low52Low176 Ų176152.3 Ų152.382%0.81582%0.824SS**  trans-138.787.9173-61.8-59.5000113
144S47.4Very low52.8Low200 Ų200157.3 Ų157.3100%1.39983%0.825SS**  trans-154.70146.9-74.80000109.5

Retrieved 144 of 144 residues in 37.5 ms (Link to these results)

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