A0A077ZF99_TRITR Loading...

HTH 1 and LysR substrate domain containing protei n

AlphaFold DB , UniProt , Accession A0A077ZF99, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 299 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
1M72.4Confident92.4Very high112 Ų11245.5 Ų45.555%0.55222%0.222SC*.  0129.30176.9-131.5-67.400106.7K3 A6 A39 L40 Q43M1-K3 PolarHBondContact O-N 3.18Å; M1-K3 HydrophobicContact SD-CB 4.32Å; M1-A6 HydrophobicContact CG-CB 4.2Å; M1-A6 HydrophobicContact SD-CB 3.67Å; M1-A39 HydrophobicContact CE-CB 3.89Å; M1-A39 WeakPolarHBondContact CE-O 3.46Å; M1-L40 HydrophobicContact CE-CB 4.27Å; M1-L40 HydrophobicContact CE-CD1 4.47Å; M1-L40 HydrophobicContact SD-CD1 4.41Å; M1-Q43 HydrophobicContact CE-CB 4.29Å
2D88.6Confident92.6Very high95 Ų9545.2 Ų45.251%0.50822%0.218SC..  trans-73.5107.6165179.9-12.8000108.1I4 H5 A6D2-I4 VanDerWaalsContact C-N 3.32Å; D2-I4 PolarHBondContact OD1-N 3.03Å; D2-H5 HydrophobicContact CB-CB 3.9Å; D2-H5 PolarHBondContact OD1-N 2.93Å; D2-H5 VanDerWaalsContact OD1-N 3.07Å; D2-H5 WeakPolarHBondContact OD2-CB 3.32Å; D2-A6 WeakPolarHBondContact O-CB 3.14Å; D2-A6 PolarHBondContact O-N 3.48Å
3K91.8Very high92.9Very high86 Ų8641.7 Ų41.737%0.37420%0.201SC..Hα-helixtrans-69.5-32-175.7-168.3174.3-177.4177.70111.9M1 A6 M7 L40M1-K3 PolarHBondContact O-N 3.18Å; M1-K3 HydrophobicContact SD-CB 4.32Å; K3-A6 PolarHBondContact O-N 3.26Å; K3-M7 HydrophobicContact CD-CE 4.25Å; K3-M7 HydrophobicContact CG-CE 3.97Å; K3-M7 VanDerWaalsContact O-CG 3.29Å; K3-M7 WeakPolarHBondContact O-CG 3.19Å; K3-M7 PolarHBondContact O-N 3.36Å; K3-L40 HydrophobicContact CG-CD1 4.44Å
4I92.9Very high93Very high55 Ų5539.8 Ų39.828%0.28220%0.196SC..Hα-helixtrans-70-46.9178.1-63.9-58.5000109.4D2 A6 M7 Q8 L73 L76D2-I4 VanDerWaalsContact C-N 3.32Å; D2-I4 PolarHBondContact OD1-N 3.03Å; I4-A6 VanDerWaalsContact C-N 3.33Å; I4-A6 PolarHBondContact O-N 3.39Å; I4-M7 HydrophobicContact CD1-SD 4.29Å; I4-M7 WeakPolarHBondContact O-CB 3.4Å; I4-M7 PolarHBondContact O-N 3.29Å; I4-Q8 WeakPolarHBondContact O-CG 3.24Å; I4-Q8 PolarHBondContact O-N 2.9Å; I4-L73 HydrophobicContact CD1-CD2 4.41Å; I4-L73 HydrophobicContact CG2-CD2 3.71Å; I4-L76 HydrophobicContact CD1-CD2 4.12Å; I4-L76 HydrophobicContact CG1-CD2 4.25Å; I4-L76 HydrophobicContact CG2-CD2 3.93Å
5H94.3Very high92.9Very high44 Ų4442.7 Ų42.720%0.20421%0.209CC..Hα-helixtrans-62.5-40.6174.9-171.357.6000112D2 M7 Q8 L9 Q36D2-H5 HydrophobicContact CB-CB 3.9Å; D2-H5 PolarHBondContact OD1-N 2.93Å; D2-H5 VanDerWaalsContact OD1-N 3.07Å; D2-H5 WeakPolarHBondContact OD2-CB 3.32Å; H5-M7 VanDerWaalsContact C-N 3.32Å; H5-M7 PolarHBondContact O-N 3.47Å; H5-Q8 PolarHBondContact ND1-OE1 3.11Å; H5-Q8 WeakPolarHBondContact O-CB 3.33Å; H5-Q8 PolarHBondContact O-N 3.31Å; H5-L9 WeakPolarHBondContact O-CG 3.33Å; H5-L9 PolarHBondContact O-N 3.38Å; H5-Q36 PolarHBondContact CD2-OE1 2.8Å; H5-Q36 VanDerWaalsContact CD2-OE1 3.25Å
6A95.6Very high92.9Very high0 Ų042.8 Ų42.80%021%0.21CC..Hα-helixtrans-61.7-37.9175.100000112.9M1 D2 K3 I4 F10 L40M1-A6 HydrophobicContact CG-CB 4.2Å; M1-A6 HydrophobicContact SD-CB 3.67Å; D2-A6 WeakPolarHBondContact O-CB 3.14Å; D2-A6 PolarHBondContact O-N 3.48Å; K3-A6 PolarHBondContact O-N 3.26Å; I4-A6 VanDerWaalsContact C-N 3.33Å; I4-A6 PolarHBondContact O-N 3.39Å; A6-F10 WeakPolarHBondContact O-CB 3.39Å; A6-F10 PolarHBondContact O-N 3.35Å; A6-L40 HydrophobicContact CB-CB 4.32Å; A6-L40 HydrophobicContact CB-CD1 4.44Å; A6-L40 HydrophobicContact CB-CD2 4.3Å
7M95.8Very high93Very high19 Ų1946.6 Ų46.69%0.09423%0.228CC..Hα-helixtrans-62.6-46.2172.1-75.5169.3-176.100111.8K3 I4 H5 L9 F10 I11 Y65 A69 V72 L73K3-M7 HydrophobicContact CD-CE 4.25Å; K3-M7 HydrophobicContact CG-CE 3.97Å; K3-M7 VanDerWaalsContact O-CG 3.29Å; K3-M7 WeakPolarHBondContact O-CG 3.19Å; K3-M7 PolarHBondContact O-N 3.36Å; I4-M7 HydrophobicContact CD1-SD 4.29Å; I4-M7 WeakPolarHBondContact O-CB 3.4Å; I4-M7 PolarHBondContact O-N 3.29Å; H5-M7 VanDerWaalsContact C-N 3.32Å; H5-M7 PolarHBondContact O-N 3.47Å; M7-L9 VanDerWaalsContact C-N 3.34Å; M7-L9 PolarHBondContact O-N 3.09Å; M7-F10 PolarHBondContact O-N 3.4Å; M7-I11 WeakPolarHBondContact O-CB 3.37Å; M7-I11 WeakPolarHBondContact O-CG1 3.27Å; M7-I11 PolarHBondContact O-N 3Å; M7-Y65 VanDerWaalsContact CE-OH 3.23Å; M7-Y65 WeakPolarHBondContact CE-OH 3.47Å; M7-Y65 HydrophobicContact CG-CE1 4.21Å; M7-Y65 WeakPolarHBondContact CG-OH 3.48Å; M7-A69 HydrophobicContact CB-CB 4.45Å; M7-A69 HydrophobicContact CG-CB 4.27Å; M7-V72 HydrophobicContact SD-CG1 4.42Å; M7-L73 HydrophobicContact CB-CD1 4.47Å; M7-L73 HydrophobicContact CB-CD2 4.49Å
8Q95.2Very high93Very high76 Ų7645.6 Ų45.636%0.35523%0.226SC..Hα-helixtrans-59.1-44.8177.5-70.3171.4-2000111.6I4 H5 K12 F26 L73I4-Q8 WeakPolarHBondContact O-CG 3.24Å; I4-Q8 PolarHBondContact O-N 2.9Å; H5-Q8 PolarHBondContact ND1-OE1 3.11Å; H5-Q8 WeakPolarHBondContact O-CB 3.33Å; H5-Q8 PolarHBondContact O-N 3.31Å; Q8-K12 WeakPolarHBondContact O-CB 3.46Å; Q8-K12 PolarHBondContact O-N 3.09Å; Q8-F26 HydrophobicContact CB-CE1 4.44Å; Q8-F26 HydrophobicContact CB-CZ 4.02Å; Q8-L73 HydrophobicContact CB-CD1 4.49Å; Q8-L73 HydrophobicContact CG-CD1 3.64Å; Q8-L73 HydrophobicContact CG-CD2 4.16Å
9L96.7Very high93.1Very high0 Ų044.1 Ų44.10%022%0.218CC..Hα-helixtrans-61.1-48.4175.4-69.2177.8000111.6H5 M7 K12 V13 F26 L28 V33 Q36 I37H5-L9 WeakPolarHBondContact O-CG 3.33Å; H5-L9 PolarHBondContact O-N 3.38Å; M7-L9 VanDerWaalsContact C-N 3.34Å; M7-L9 PolarHBondContact O-N 3.09Å; L9-K12 PolarHBondContact O-N 3.14Å; L9-V13 WeakPolarHBondContact O-CG2 3.26Å; L9-V13 PolarHBondContact O-N 3.02Å; L9-F26 HydrophobicContact CD2-CB 4.23Å; L9-F26 HydrophobicContact CD2-CD1 4.41Å; L9-F26 HydrophobicContact CD2-CD2 3.39Å; L9-F26 HydrophobicContact CD2-CE2 3.73Å; L9-F26 HydrophobicContact CD2-CG 3.77Å; L9-F26 HydrophobicContact CD2-CZ 4.39Å; L9-L28 HydrophobicContact CD2-CD1 4.02Å; L9-V33 HydrophobicContact CB-CG1 4.41Å; L9-V33 HydrophobicContact CD2-CG1 4.33Å; L9-V33 HydrophobicContact CD2-CG2 4.17Å; L9-Q36 HydrophobicContact CD1-CB 3.81Å; L9-Q36 VanDerWaalsContact CD1-CD 3.43Å; L9-Q36 HydrophobicContact CD1-CG 4.16Å; L9-I37 HydrophobicContact CB-CD1 4.43Å; L9-I37 HydrophobicContact CB-CG1 4.38Å
10F97.4Very high93.1Very high0 Ų044.3 Ų44.30%022%0.223CC..Hα-helixtrans-59-48.8178.4166.7-98.8000112A6 M7 K12 V13 A14 I37 L40 L48 L49 L58 Y65 Y66A6-F10 WeakPolarHBondContact O-CB 3.39Å; A6-F10 PolarHBondContact O-N 3.35Å; M7-F10 PolarHBondContact O-N 3.4Å; F10-K12 VanDerWaalsContact C-N 3.33Å; F10-K12 PolarHBondContact O-N 3.33Å; F10-V13 PolarHBondContact O-N 2.93Å; F10-A14 WeakPolarHBondContact O-CB 3.43Å; F10-A14 PolarHBondContact O-N 3.36Å; F10-I37 HydrophobicContact CB-CD1 4.4Å; F10-I37 HydrophobicContact CB-CG1 4.33Å; F10-I37 HydrophobicContact CD2-CG2 4.32Å; F10-L40 HydrophobicContact CB-CD2 4.08Å; F10-L48 HydrophobicContact CD2-CB 4.19Å; F10-L48 HydrophobicContact CD2-CD1 4.02Å; F10-L48 HydrophobicContact CE1-CD1 4.49Å; F10-L48 HydrophobicContact CE2-CB 3.43Å; F10-L48 VanDerWaalsContact CE2-CB 3.43Å; F10-L48 HydrophobicContact CE2-CD1 3.83Å; F10-L48 HydrophobicContact CE2-CG 4.29Å; F10-L48 HydrophobicContact CG-CD1 4.42Å; F10-L48 HydrophobicContact CZ-CB 3.94Å; F10-L48 HydrophobicContact CZ-CD1 4.07Å; F10-L49 HydrophobicContact CD2-CD1 4.21Å; F10-L49 HydrophobicContact CD2-CD2 4.35Å; F10-L49 HydrophobicContact CD2-CG 4.17Å; F10-L49 HydrophobicContact CE2-CD1 4.35Å; F10-L49 HydrophobicContact CE2-CD2 3.73Å; F10-L49 HydrophobicContact CE2-CG 3.82Å; F10-L58 HydrophobicContact CE1-CD2 4.4Å; F10-L58 HydrophobicContact CE2-CD2 3.9Å; F10-L58 HydrophobicContact CZ-CD2 3.44Å; F10-L58 VanDerWaalsContact CZ-CD2 3.44Å; F10-Y65 AromaticContact CD1-CD1 3.68Å; F10-Y65 HydrophobicContact CD1-CD1 3.68Å; F10-Y65 AromaticContact CD1-CE1 3.91Å; F10-Y65 HydrophobicContact CD1-CE1 3.91Å; F10-Y65 AromaticContact CE1-CD1 3.5Å; F10-Y65 HydrophobicContact CE1-CD1 3.5Å; F10-Y65 VanDerWaalsContact CE1-CD1 3.5Å; F10-Y65 HydrophobicContact CE1-CE1 4.21Å; F10-Y65 HydrophobicContact CE1-CG 4.49Å; F10-Y65 HydrophobicContact CG-CD1 4.48Å; F10-Y65 HydrophobicContact CZ-CD1 4.16Å; F10-Y66 HydrophobicContact CE1-CD2 4.44Å
11I95.2Very high93.2Very high14 Ų1448.9 Ų48.97%0.07224%0.238CC..Hα-helixtrans-57.3-47.4177.8-75.1164.1000110.4M7 V13 A14 E15 Y66 A69 K70 L73M7-I11 WeakPolarHBondContact O-CB 3.37Å; M7-I11 WeakPolarHBondContact O-CG1 3.27Å; M7-I11 PolarHBondContact O-N 3Å; I11-V13 PolarHBondContact O-N 3.1Å; I11-A14 WeakPolarHBondContact O-CB 3.46Å; I11-A14 PolarHBondContact O-N 2.88Å; I11-E15 HydrophobicContact CG2-CG 4.46Å; I11-E15 WeakPolarHBondContact O-CG 3.44Å; I11-E15 PolarHBondContact O-N 3.12Å; I11-Y66 HydrophobicContact CB-CD2 4.41Å; I11-Y66 HydrophobicContact CB-CE2 4.33Å; I11-Y66 HydrophobicContact CG1-CD2 4.03Å; I11-Y66 HydrophobicContact CG1-CE2 4.32Å; I11-Y66 HydrophobicContact CG2-CD2 4.45Å; I11-Y66 HydrophobicContact CG2-CE2 3.91Å; I11-A69 HydrophobicContact CD1-CB 3.85Å; I11-A69 HydrophobicContact CG1-CB 4.32Å; I11-K70 HydrophobicContact CD1-CG 3.75Å; I11-K70 HydrophobicContact CG1-CG 4.13Å; I11-K70 HydrophobicContact CG2-CD 4.5Å; I11-K70 HydrophobicContact CG2-CG 4.24Å; I11-L73 HydrophobicContact CD1-CD1 3.5Å; I11-L73 VanDerWaalsContact CD1-CD1 3.5Å; I11-L73 HydrophobicContact CD1-CG 4.4Å
12K95.3Very high94.2Very high41 Ų4143.6 Ų43.618%0.17821%0.212CC..Hα-helixtrans-66.3-37.1-179.6-170.858.365.9-158.70112.5Q8 L9 F10 A14 E15 L16 A22 F25 F26Q8-K12 WeakPolarHBondContact O-CB 3.46Å; Q8-K12 PolarHBondContact O-N 3.09Å; L9-K12 PolarHBondContact O-N 3.14Å; F10-K12 VanDerWaalsContact C-N 3.33Å; F10-K12 PolarHBondContact O-N 3.33Å; K12-A14 VanDerWaalsContact C-N 3.34Å; K12-E15 IonicContact NZ-OE2 2.86Å; K12-E15 PolarHBondContact NZ-OE2 3.3Å; K12-L16 HydrophobicContact CD-CD1 3.64Å; K12-L16 HydrophobicContact CD-CG 3.98Å; K12-L16 HydrophobicContact CG-CD1 3.89Å; K12-L16 HydrophobicContact CG-CG 4.47Å; K12-L16 WeakPolarHBondContact O-CB 3.35Å; K12-L16 WeakPolarHBondContact O-CG 3.36Å; K12-L16 PolarHBondContact O-N 3.43Å; K12-A22 HydrophobicContact CB-CB 4.31Å; K12-A22 HydrophobicContact CG-CB 3.92Å; K12-F25 HydrophobicContact CD-CD1 4.08Å; K12-F25 HydrophobicContact CD-CD2 4.3Å; K12-F25 HydrophobicContact CD-CE1 4.39Å; K12-F25 HydrophobicContact CD-CG 4.04Å; K12-F25 HydrophobicContact CG-CB 4.34Å; K12-F25 HydrophobicContact CG-CD1 4.02Å; K12-F25 HydrophobicContact CG-CG 4.18Å; K12-F26 HydrophobicContact CB-CE2 3.58Å; K12-F26 HydrophobicContact CB-CZ 4.31Å; K12-F26 HydrophobicContact CG-CD2 4.38Å; K12-F26 HydrophobicContact CG-CE2 3.76Å
13V96.1Very high94.5Very high0 Ų039.1 Ų39.10%019%0.188CC..Hα-helixtrans-64.8-39.2173.6168.90000111.4L9 F10 I11 E17 S18 F19 A22 V33 I37 L49 V56L9-V13 WeakPolarHBondContact O-CG2 3.26Å; L9-V13 PolarHBondContact O-N 3.02Å; F10-V13 PolarHBondContact O-N 2.93Å; I11-V13 PolarHBondContact O-N 3.1Å; V13-E17 VanDerWaalsContact O-CA 3.23Å; V13-E17 WeakPolarHBondContact O-CA 3.46Å; V13-E17 PolarHBondContact O-N 3.31Å; V13-S18 PolarHBondContact O-N 2.65Å; V13-F19 HydrophobicContact CG1-CD1 4.32Å; V13-F19 HydrophobicContact CG1-CD2 4.18Å; V13-F19 HydrophobicContact CG1-CE1 4.2Å; V13-F19 HydrophobicContact CG1-CE2 4.02Å; V13-F19 HydrophobicContact CG1-CG 4.31Å; V13-F19 HydrophobicContact CG1-CZ 4.03Å; V13-F19 HydrophobicContact CG2-CD1 4.01Å; V13-F19 HydrophobicContact CG2-CE1 4.31Å; V13-F19 HydrophobicContact CG2-CG 4.4Å; V13-A22 HydrophobicContact CB-CB 4.36Å; V13-A22 HydrophobicContact CG2-CB 3.42Å; V13-A22 VanDerWaalsContact CG2-CB 3.42Å; V13-V33 HydrophobicContact CG2-CG1 3.83Å; V13-I37 HydrophobicContact CB-CD1 3.95Å; V13-I37 HydrophobicContact CG1-CD1 4.38Å; V13-I37 HydrophobicContact CG2-CD1 3.59Å; V13-L49 HydrophobicContact CG1-CD1 3.68Å; V13-V56 HydrophobicContact CG1-CG1 3.91Å
14A94.7Very high94.8Very high15 Ų1540.9 Ų40.912%0.12420%0.202CC..Hα-helixtrans-65.7-46.8176.500000111.8F10 I11 K12 L16 E17 L58 Y66F10-A14 WeakPolarHBondContact O-CB 3.43Å; F10-A14 PolarHBondContact O-N 3.36Å; I11-A14 WeakPolarHBondContact O-CB 3.46Å; I11-A14 PolarHBondContact O-N 2.88Å; K12-A14 VanDerWaalsContact C-N 3.34Å; A14-L16 PolarHBondContact O-N 3.17Å; A14-E17 PolarHBondContact O-N 2.96Å; A14-L58 HydrophobicContact CB-CD1 4.16Å; A14-L58 HydrophobicContact CB-CD2 3.8Å; A14-L58 HydrophobicContact CB-CG 4.11Å; A14-Y66 HydrophobicContact CB-CD2 3.81Å; A14-Y66 HydrophobicContact CB-CE2 4.06Å
15E92Very high94.8Very high83 Ų8344.4 Ų44.439%0.38822%0.216SC..Hα-helixtrans-62.1-41.7177.7-73.1175.1168.100112.6I11 K12 Y66 K70I11-E15 HydrophobicContact CG2-CG 4.46Å; I11-E15 WeakPolarHBondContact O-CG 3.44Å; I11-E15 PolarHBondContact O-N 3.12Å; K12-E15 IonicContact NZ-OE2 2.86Å; K12-E15 PolarHBondContact NZ-OE2 3.3Å; E15-Y66 HydrophobicContact CG-CE2 4.07Å; E15-Y66 WeakPolarHBondContact CG-OH 3.4Å; E15-K70 IonicContact OE1-NZ 3.2Å
16L93.1Very high94.8Very high45 Ų4544.9 Ų44.924%0.23622%0.217CC..THydrogen-bonded Turntrans-92.3-1.2-177.4-62178.8000113.2K12 A14 S18 R21 A22K12-L16 HydrophobicContact CD-CD1 3.64Å; K12-L16 HydrophobicContact CD-CG 3.98Å; K12-L16 HydrophobicContact CG-CD1 3.89Å; K12-L16 HydrophobicContact CG-CG 4.47Å; K12-L16 WeakPolarHBondContact O-CB 3.35Å; K12-L16 WeakPolarHBondContact O-CG 3.36Å; K12-L16 PolarHBondContact O-N 3.43Å; A14-L16 PolarHBondContact O-N 3.17Å; L16-S18 VanDerWaalsContact O-CB 3.24Å; L16-S18 WeakPolarHBondContact O-CB 3.47Å; L16-S18 PolarHBondContact O-N 3.27Å; L16-R21 HydrophobicContact CB-CB 4.27Å; L16-R21 HydrophobicContact CD1-CB 3.82Å; L16-R21 PolarHBondContact O-NE 3.47Å; L16-R21 PolarHBondContact O-NH2 2.94Å; L16-A22 HydrophobicContact CD1-CB 4.46Å
17E93.6Very high94.8Very high108 Ų10849.3 Ų49.351%0.50525%0.253SS..THydrogen-bonded Turntrans42.930.4-172.1-61.2-168.6159.900113.6V13 A14V13-E17 VanDerWaalsContact O-CA 3.23Å; V13-E17 WeakPolarHBondContact O-CA 3.46Å; V13-E17 PolarHBondContact O-N 3.31Å; A14-E17 PolarHBondContact O-N 2.96Å
18S93.7Very high94.8Very high28 Ų2850.8 Ų50.820%0.19626%0.262CS..  trans-158120-167.9-179.50000113V13 L16 S20 R21 A22V13-S18 PolarHBondContact O-N 2.65Å; L16-S18 VanDerWaalsContact O-CB 3.24Å; L16-S18 WeakPolarHBondContact O-CB 3.47Å; L16-S18 PolarHBondContact O-N 3.27Å; S18-S20 VanDerWaalsContact C-N 3.34Å; S18-S20 PolarHBondContact OG-N 3.38Å; S18-R21 PolarHBondContact OG-N 2.97Å; S18-A22 WeakPolarHBondContact O-CB 3.23Å; S18-A22 PolarHBondContact O-N 2.9Å; S18-A22 VanDerWaalsContact O-N 3.12Å
19F94.1Very high94.8Very high17 Ų1751.6 Ų51.68%0.07527%0.273CS..Hα-helixtrans-64.4-37.1171.2-74.6-90.1000112.7V13 A23 K30 V33 I37 L49 R51 V56V13-F19 HydrophobicContact CG1-CD1 4.32Å; V13-F19 HydrophobicContact CG1-CD2 4.18Å; V13-F19 HydrophobicContact CG1-CE1 4.2Å; V13-F19 HydrophobicContact CG1-CE2 4.02Å; V13-F19 HydrophobicContact CG1-CG 4.31Å; V13-F19 HydrophobicContact CG1-CZ 4.03Å; V13-F19 HydrophobicContact CG2-CD1 4.01Å; V13-F19 HydrophobicContact CG2-CE1 4.31Å; V13-F19 HydrophobicContact CG2-CG 4.4Å; F19-A23 WeakPolarHBondContact O-CB 3.43Å; F19-A23 PolarHBondContact O-N 2.98Å; F19-K30 HydrophobicContact CB-CG 4.1Å; F19-V33 HydrophobicContact CD1-CG1 3.97Å; F19-I37 HydrophobicContact CD1-CD1 4.37Å; F19-I37 HydrophobicContact CE1-CB 4.41Å; F19-I37 HydrophobicContact CE1-CD1 3.7Å; F19-I37 HydrophobicContact CZ-CD1 4.42Å; F19-L49 HydrophobicContact CE2-CD1 4.26Å; F19-L49 HydrophobicContact CZ-CD1 3.71Å; F19-R51 HydrophobicContact CE2-CG 4.21Å; F19-R51 HydrophobicContact CZ-CG 4.5Å; F19-V56 HydrophobicContact CD2-CG1 4.48Å; F19-V56 HydrophobicContact CD2-CG2 3.59Å; F19-V56 HydrophobicContact CE2-CB 4.47Å; F19-V56 HydrophobicContact CE2-CG1 3.89Å; F19-V56 HydrophobicContact CE2-CG2 3.68Å
20S94Very high94.7Very high47 Ų4757.1 Ų57.133%0.32930%0.297SS..Hα-helixtrans-65.8-50.9-179.4-610000110.2S18 A22 A23 D24 K30S18-S20 VanDerWaalsContact C-N 3.34Å; S18-S20 PolarHBondContact OG-N 3.38Å; S20-A22 VanDerWaalsContact C-N 3.32Å; S20-A22 PolarHBondContact O-N 3.1Å; S20-A23 WeakPolarHBondContact O-CB 3.43Å; S20-A23 PolarHBondContact O-N 3.49Å; S20-A23 VanDerWaalsContact O-N 3.1Å; S20-D24 PolarHBondContact O-N 2.86Å; S20-K30 WeakPolarHBondContact OG-CD 3.36Å; S20-K30 PolarHBondContact OG-NZ 3.39Å
21R94.8Very high94.6Very high142 Ų14259.2 Ų59.254%0.53632%0.318SS..Hα-helixtrans-64.5-36.3-179.6-62.2-165.3-69.3-176.6-5.8112.7L16 S18 F25L16-R21 HydrophobicContact CB-CB 4.27Å; L16-R21 HydrophobicContact CD1-CB 3.82Å; L16-R21 PolarHBondContact O-NE 3.47Å; L16-R21 PolarHBondContact O-NH2 2.94Å; S18-R21 PolarHBondContact OG-N 2.97Å; R21-F25 PolarHBondContact O-N 3.41Å
22A93.9Very high94.6Very high0 Ų059.7 Ų59.70%032%0.323CS..Hα-helixtrans-67.7-38.3174.200000112.1K12 V13 L16 S18 S20 F25 F26K12-A22 HydrophobicContact CB-CB 4.31Å; K12-A22 HydrophobicContact CG-CB 3.92Å; V13-A22 HydrophobicContact CB-CB 4.36Å; V13-A22 HydrophobicContact CG2-CB 3.42Å; V13-A22 VanDerWaalsContact CG2-CB 3.42Å; L16-A22 HydrophobicContact CD1-CB 4.46Å; S18-A22 WeakPolarHBondContact O-CB 3.23Å; S18-A22 PolarHBondContact O-N 2.9Å; S18-A22 VanDerWaalsContact O-N 3.12Å; S20-A22 VanDerWaalsContact C-N 3.32Å; S20-A22 PolarHBondContact O-N 3.1Å; A22-F25 WeakPolarHBondContact O-CB 3.29Å; A22-F25 PolarHBondContact O-N 3.34Å; A22-F26 WeakPolarHBondContact O-CD2 3.42Å; A22-F26 PolarHBondContact O-N 2.93Å; A22-F26 VanDerWaalsContact O-N 3.14Å
23A95.1Very high94.6Very high1 Ų157.7 Ų57.71%0.00832%0.315CS..Hα-helixtrans-63.6-43175.500000111.5F19 S20 F25 F26 A27 L28 K30 V33F19-A23 WeakPolarHBondContact O-CB 3.43Å; F19-A23 PolarHBondContact O-N 2.98Å; S20-A23 WeakPolarHBondContact O-CB 3.43Å; S20-A23 PolarHBondContact O-N 3.49Å; S20-A23 VanDerWaalsContact O-N 3.1Å; A23-F25 VanDerWaalsContact C-N 3.34Å; A23-F25 PolarHBondContact O-N 3.25Å; A23-F26 PolarHBondContact O-N 3.45Å; A23-A27 PolarHBondContact O-N 3.19Å; A23-L28 CarbonylContact C-O 3.6Å; A23-L28 VanDerWaalsContact CB-O 3.32Å; A23-L28 WeakPolarHBondContact CB-O 3.46Å; A23-L28 PolarHBondContact O-N 3.48Å; A23-K30 HydrophobicContact CB-CB 4.23Å; A23-V33 HydrophobicContact CB-CG2 3.7Å
24D96.4Very high94.5Very high124 Ų12459.2 Ų59.266%0.66333%0.325SS*.Hα-helixtrans-60.7-42.8173.8-59.2-28.2000111.2S20 F26 A27S20-D24 PolarHBondContact O-N 2.86Å; D24-F26 VanDerWaalsContact C-N 3.35Å; D24-F26 PolarHBondContact O-N 3.02Å; D24-A27 PolarHBondContact O-N 3.39Å
25F94.1Very high94.6Very high129 Ų12966.5 Ų66.557%0.56635%0.349SS*.Hα-helixtrans-59.5-40.6177.9-178.3-87.7000113.2K12 R21 A22 A23K12-F25 HydrophobicContact CD-CD1 4.08Å; K12-F25 HydrophobicContact CD-CD2 4.3Å; K12-F25 HydrophobicContact CD-CE1 4.39Å; K12-F25 HydrophobicContact CD-CG 4.04Å; K12-F25 HydrophobicContact CG-CB 4.34Å; K12-F25 HydrophobicContact CG-CD1 4.02Å; K12-F25 HydrophobicContact CG-CG 4.18Å; R21-F25 PolarHBondContact O-N 3.41Å; A22-F25 WeakPolarHBondContact O-CB 3.29Å; A22-F25 PolarHBondContact O-N 3.34Å; A23-F25 VanDerWaalsContact C-N 3.34Å; A23-F25 PolarHBondContact O-N 3.25Å
26F94Very high94.8Very high54 Ų5464.5 Ų64.524%0.23734%0.34CS..THydrogen-bonded Turntrans-91.73.7179.2-73.8-77000113.8Q8 L9 K12 A22 A23 D24 L28Q8-F26 HydrophobicContact CB-CE1 4.44Å; Q8-F26 HydrophobicContact CB-CZ 4.02Å; L9-F26 HydrophobicContact CD2-CB 4.23Å; L9-F26 HydrophobicContact CD2-CD1 4.41Å; L9-F26 HydrophobicContact CD2-CD2 3.39Å; L9-F26 HydrophobicContact CD2-CE2 3.73Å; L9-F26 HydrophobicContact CD2-CG 3.77Å; L9-F26 HydrophobicContact CD2-CZ 4.39Å; K12-F26 HydrophobicContact CB-CE2 3.58Å; K12-F26 HydrophobicContact CB-CZ 4.31Å; K12-F26 HydrophobicContact CG-CD2 4.38Å; K12-F26 HydrophobicContact CG-CE2 3.76Å; A22-F26 WeakPolarHBondContact O-CD2 3.42Å; A22-F26 PolarHBondContact O-N 2.93Å; A22-F26 VanDerWaalsContact O-N 3.14Å; A23-F26 PolarHBondContact O-N 3.45Å; D24-F26 VanDerWaalsContact C-N 3.35Å; D24-F26 PolarHBondContact O-N 3.02Å; F26-L28 HydrophobicContact CB-CD1 4Å; F26-L28 HydrophobicContact CB-CG 4.02Å; F26-L28 PolarHBondContact O-N 3Å
27A95.5Very high95Very high92 Ų9262.4 Ų62.476%0.7633%0.329SS*.THydrogen-bonded Turntrans51.241-171.900000113.2A23 D24A23-A27 PolarHBondContact O-N 3.19Å; D24-A27 PolarHBondContact O-N 3.39Å
28L95.3Very high95.1Very high51 Ų5161.9 Ų61.927%0.26733%0.327SS..  trans-113.3154.2179.7-68.3178.4000111.6L9 A23 F26 K30 V33L9-L28 HydrophobicContact CD2-CD1 4.02Å; A23-L28 CarbonylContact C-O 3.6Å; A23-L28 VanDerWaalsContact CB-O 3.32Å; A23-L28 WeakPolarHBondContact CB-O 3.46Å; A23-L28 PolarHBondContact O-N 3.48Å; F26-L28 HydrophobicContact CB-CD1 4Å; F26-L28 HydrophobicContact CB-CG 4.02Å; F26-L28 PolarHBondContact O-N 3Å; L28-K30 PolarHBondContact O-N 2.91Å; L28-V33 HydrophobicContact CB-CG2 4.1Å; L28-V33 HydrophobicContact CD1-CG2 4.4Å
29P96.3Very high95.2Very high92 Ų9262.6 Ų62.660%0.59733%0.334SS*.  trans-62.8136.4167.1-21.633.1000111G31 S32 V33P29-G31 PolarHBondContact O-N 3.2Å; P29-G31 VanDerWaalsContact O-N 3.11Å; P29-S32 WeakPolarHBondContact O-CA 3.35Å; P29-S32 WeakPolarHBondContact O-CB 3.42Å; P29-S32 PolarHBondContact O-N 2.91Å; P29-V33 PolarHBondContact O-N 3.3Å
30K93.9Very high95.3Very high117 Ų11761.8 Ų61.851%0.50933%0.33SS..Hα-helixtrans-49.3-40.6176-178-175.3179.2172.20113.4F19 S20 A23 L28 S32 V33 S34F19-K30 HydrophobicContact CB-CG 4.1Å; S20-K30 WeakPolarHBondContact OG-CD 3.36Å; S20-K30 PolarHBondContact OG-NZ 3.39Å; A23-K30 HydrophobicContact CB-CB 4.23Å; L28-K30 PolarHBondContact O-N 2.91Å; K30-S32 VanDerWaalsContact C-N 3.26Å; K30-S32 PolarHBondContact O-N 2.88Å; K30-V33 PolarHBondContact O-N 3.24Å; K30-S34 PolarHBondContact O-N 2.93Å
31G95.1Very high95.5Very high43 Ų4360.5 Ų60.544%0.44332%0.319SS..Hα-helixtrans-66.3-2417700000114P29 R35P29-G31 PolarHBondContact O-N 3.2Å; P29-G31 VanDerWaalsContact O-N 3.11Å; G31-R35 WeakPolarHBondContact O-CB 3.45Å; G31-R35 VanDerWaalsContact O-CG 3.26Å; G31-R35 WeakPolarHBondContact O-CG 3.41Å; G31-R35 PolarHBondContact O-N 3.33Å; G31-R35 PolarHBondContact O-NE 2.63Å; G31-R35 VanDerWaalsContact O-NE 3.09Å
32S95.3Very high95.6Very high24 Ų2461.5 Ų61.517%0.16833%0.329CS..Hα-helixtrans-71.1-50.7171.1-169.40000110.6P29 K30 S34 R35 Q36P29-S32 WeakPolarHBondContact O-CA 3.35Å; P29-S32 WeakPolarHBondContact O-CB 3.42Å; P29-S32 PolarHBondContact O-N 2.91Å; K30-S32 VanDerWaalsContact C-N 3.26Å; K30-S32 PolarHBondContact O-N 2.88Å; S32-S34 VanDerWaalsContact C-N 3.34Å; S32-S34 PolarHBondContact O-N 2.9Å; S32-R35 PolarHBondContact O-N 2.89Å; S32-Q36 WeakPolarHBondContact O-CG 3.37Å; S32-Q36 PolarHBondContact O-N 3.45Å
33V95.2Very high95.7Very high0 Ų066.5 Ų66.50%035%0.353CS..Hα-helixtrans-57.4-46.8178.2-177.10000111.2L9 V13 F19 A23 L28 P29 K30 R35 Q36 I37L9-V33 HydrophobicContact CB-CG1 4.41Å; L9-V33 HydrophobicContact CD2-CG1 4.33Å; L9-V33 HydrophobicContact CD2-CG2 4.17Å; V13-V33 HydrophobicContact CG2-CG1 3.83Å; F19-V33 HydrophobicContact CD1-CG1 3.97Å; A23-V33 HydrophobicContact CB-CG2 3.7Å; L28-V33 HydrophobicContact CB-CG2 4.1Å; L28-V33 HydrophobicContact CD1-CG2 4.4Å; P29-V33 PolarHBondContact O-N 3.3Å; K30-V33 PolarHBondContact O-N 3.24Å; V33-R35 PolarHBondContact O-N 3.39Å; V33-Q36 PolarHBondContact O-N 3.37Å; V33-I37 HydrophobicContact CG1-CD1 3.99Å; V33-I37 WeakPolarHBondContact O-CG1 3.36Å; V33-I37 PolarHBondContact O-N 3.23Å; V33-I37 VanDerWaalsContact O-N 3.1Å
34S94.7Very high95.7Very high31 Ų3169.4 Ų69.422%0.21737%0.368CS..Hα-helixtrans-59.3-44.6177.4-176.10000112.7K30 S32 Q38 R51K30-S34 PolarHBondContact O-N 2.93Å; S32-S34 VanDerWaalsContact C-N 3.34Å; S32-S34 PolarHBondContact O-N 2.9Å; S34-Q38 WeakPolarHBondContact O-CB 3.46Å; S34-Q38 VanDerWaalsContact O-CG 3.27Å; S34-Q38 WeakPolarHBondContact O-CG 3.39Å; S34-Q38 PolarHBondContact O-N 2.94Å; S34-R51 PolarHBondContact OG-NH1 3.45Å
35R96.2Very high95.6Very high168 Ų16867 Ų6763%0.63437%0.372SS*.Hα-helixtrans-67-40.2-179.8-78.9-176.4-64.1159.10.1112.4G31 S32 V33 Q38 A39G31-R35 WeakPolarHBondContact O-CB 3.45Å; G31-R35 VanDerWaalsContact O-CG 3.26Å; G31-R35 WeakPolarHBondContact O-CG 3.41Å; G31-R35 PolarHBondContact O-N 3.33Å; G31-R35 PolarHBondContact O-NE 2.63Å; G31-R35 VanDerWaalsContact O-NE 3.09Å; S32-R35 PolarHBondContact O-N 2.89Å; V33-R35 PolarHBondContact O-N 3.39Å; R35-Q38 PolarHBondContact O-N 2.75Å; R35-A39 WeakPolarHBondContact O-CB 3.44Å; R35-A39 PolarHBondContact O-N 3.2Å
36Q96.6Very high95.7Very high42 Ų4263.2 Ų63.220%0.19636%0.36CS..Hα-helixtrans-65.7-41.9178.2-70.2-166.352.400111.9H5 L9 S32 V33 A39 L40H5-Q36 PolarHBondContact CD2-OE1 2.8Å; H5-Q36 VanDerWaalsContact CD2-OE1 3.25Å; L9-Q36 HydrophobicContact CD1-CB 3.81Å; L9-Q36 VanDerWaalsContact CD1-CD 3.43Å; L9-Q36 HydrophobicContact CD1-CG 4.16Å; S32-Q36 WeakPolarHBondContact O-CG 3.37Å; S32-Q36 PolarHBondContact O-N 3.45Å; V33-Q36 PolarHBondContact O-N 3.37Å; Q36-A39 PolarHBondContact O-N 2.89Å; Q36-L40 PolarHBondContact O-N 3.43Å
37I96.3Very high95.8Very high0 Ų065.7 Ų65.70%037%0.372CS..Hα-helixtrans-69.2-36.6176.2-63.1173.8000111L9 F10 V13 F19 V33 L40 E41 L49L9-I37 HydrophobicContact CB-CD1 4.43Å; L9-I37 HydrophobicContact CB-CG1 4.38Å; F10-I37 HydrophobicContact CB-CD1 4.4Å; F10-I37 HydrophobicContact CB-CG1 4.33Å; F10-I37 HydrophobicContact CD2-CG2 4.32Å; V13-I37 HydrophobicContact CB-CD1 3.95Å; V13-I37 HydrophobicContact CG1-CD1 4.38Å; V13-I37 HydrophobicContact CG2-CD1 3.59Å; F19-I37 HydrophobicContact CD1-CD1 4.37Å; F19-I37 HydrophobicContact CE1-CB 4.41Å; F19-I37 HydrophobicContact CE1-CD1 3.7Å; F19-I37 HydrophobicContact CZ-CD1 4.42Å; V33-I37 HydrophobicContact CG1-CD1 3.99Å; V33-I37 WeakPolarHBondContact O-CG1 3.36Å; V33-I37 PolarHBondContact O-N 3.23Å; V33-I37 VanDerWaalsContact O-N 3.1Å; I37-L40 WeakPolarHBondContact O-CB 3.29Å; I37-L40 PolarHBondContact O-N 3.01Å; I37-E41 WeakPolarHBondContact O-CG 3.5Å; I37-E41 PolarHBondContact O-N 3.43Å; I37-L49 HydrophobicContact CD1-CD1 4.48Å; I37-L49 HydrophobicContact CG2-CD1 3.95Å
38Q95.9Very high95.9Very high98 Ų9861.4 Ų61.446%0.45834%0.336SS..Hα-helixtrans-62.4-42.2172-76.8170.4-32.700112.3S34 R35 L40 E41 H42 R51S34-Q38 WeakPolarHBondContact O-CB 3.46Å; S34-Q38 VanDerWaalsContact O-CG 3.27Å; S34-Q38 WeakPolarHBondContact O-CG 3.39Å; S34-Q38 PolarHBondContact O-N 2.94Å; R35-Q38 PolarHBondContact O-N 2.75Å; Q38-L40 VanDerWaalsContact C-N 3.27Å; Q38-L40 PolarHBondContact O-N 3.07Å; Q38-E41 PolarHBondContact O-N 2.81Å; Q38-H42 VanDerWaalsContact O-CB 3.29Å; Q38-H42 WeakPolarHBondContact O-CB 3.37Å; Q38-H42 PolarHBondContact O-N 3Å; Q38-R51 VanDerWaalsContact CG-NH1 3.32Å
39A96.8Very high95.9Very high42 Ų4259 Ų5935%0.34732%0.324SS..Hα-helixtrans-63.1-36.6174.900000111.4M1 R35 Q36 Q43M1-A39 HydrophobicContact CE-CB 3.89Å; M1-A39 WeakPolarHBondContact CE-O 3.46Å; R35-A39 WeakPolarHBondContact O-CB 3.44Å; R35-A39 PolarHBondContact O-N 3.2Å; Q36-A39 PolarHBondContact O-N 2.89Å; A39-Q43 WeakPolarHBondContact O-CB 3.41Å; A39-Q43 PolarHBondContact O-N 3.43Å
40L96.8Very high95.8Very high0 Ų059.7 Ų59.70%032%0.319CS..Hα-helixtrans-64.6-51.2175.1-177.463.3000111.7M1 K3 A6 F10 Q36 I37 Q38 H42 Q43 L44 L48 Y65M1-L40 HydrophobicContact CE-CB 4.27Å; M1-L40 HydrophobicContact CE-CD1 4.47Å; M1-L40 HydrophobicContact SD-CD1 4.41Å; K3-L40 HydrophobicContact CG-CD1 4.44Å; A6-L40 HydrophobicContact CB-CB 4.32Å; A6-L40 HydrophobicContact CB-CD1 4.44Å; A6-L40 HydrophobicContact CB-CD2 4.3Å; F10-L40 HydrophobicContact CB-CD2 4.08Å; Q36-L40 PolarHBondContact O-N 3.43Å; I37-L40 WeakPolarHBondContact O-CB 3.29Å; I37-L40 PolarHBondContact O-N 3.01Å; Q38-L40 VanDerWaalsContact C-N 3.27Å; Q38-L40 PolarHBondContact O-N 3.07Å; L40-H42 VanDerWaalsContact C-N 3.32Å; L40-H42 PolarHBondContact O-N 2.98Å; L40-Q43 PolarHBondContact O-N 3.27Å; L40-L44 HydrophobicContact CD1-CD1 4.15Å; L40-L44 HydrophobicContact CD1-CG 4.45Å; L40-L44 HydrophobicContact CG-CD1 3.99Å; L40-L44 VanDerWaalsContact O-CG 3.3Å; L40-L44 WeakPolarHBondContact O-CG 3.3Å; L40-L44 PolarHBondContact O-N 2.89Å; L40-L48 HydrophobicContact CD2-CD1 4.33Å; L40-Y65 HydrophobicContact CD2-CE1 3.95Å
41E97.4Very high95.6Very high21 Ų2157.4 Ų57.410%0.09831%0.307CS..Hα-helixtrans-57.5-44.3175.7-74.7177.5151.500111.6I37 Q38 Q43 L44 G45 T46 L48 L49 R51I37-E41 WeakPolarHBondContact O-CG 3.5Å; I37-E41 PolarHBondContact O-N 3.43Å; Q38-E41 PolarHBondContact O-N 2.81Å; E41-Q43 PolarHBondContact O-N 2.98Å; E41-L44 CarbonylContact O-C 3.58Å; E41-L44 PolarHBondContact O-N 2.98Å; E41-G45 PolarHBondContact O-N 2.96Å; E41-T46 WeakPolarHBondContact CA-O 3.36Å; E41-T46 VanDerWaalsContact CB-O 3.27Å; E41-T46 WeakPolarHBondContact CB-O 3.34Å; E41-T46 PolarHBondContact O-N 3.5Å; E41-L48 HydrophobicContact CG-CB 4.1Å; E41-L48 HydrophobicContact CG-CD1 4.37Å; E41-L48 HydrophobicContact CG-CG 3.98Å; E41-L48 PolarHBondContact OE1-N 3.42Å; E41-L49 PolarHBondContact OE1-N 2.94Å; E41-R51 IonicContact OE1-NH2 3.66Å; E41-R51 IonicContact OE2-CZ 3.51Å; E41-R51 IonicContact OE2-NE 3.89Å; E41-R51 IonicContact OE2-NH2 2.63Å; E41-R51 PolarHBondContact OE2-NH2 3.26Å
42H96.4Very high95Very high162 Ų16259.7 Ų59.775%0.7531%0.313SS*.Hα-helixtrans-60.9-42.8176.2-179.3-83.5000112.1Q38 L40 L44 G45Q38-H42 VanDerWaalsContact O-CB 3.29Å; Q38-H42 WeakPolarHBondContact O-CB 3.37Å; Q38-H42 PolarHBondContact O-N 3Å; L40-H42 VanDerWaalsContact C-N 3.32Å; L40-H42 PolarHBondContact O-N 2.98Å; H42-L44 VanDerWaalsContact C-N 3.32Å; H42-L44 PolarHBondContact O-N 2.96Å; H42-G45 PolarHBondContact O-N 3.27Å
43Q95.4Very high94.2Very high105 Ų10565.7 Ų65.749%0.49135%0.349SS..Hα-helixtrans-66.5-34.1177.2-176.2178.8-9.200112.5M1 A39 L40 E41 G45M1-Q43 HydrophobicContact CE-CB 4.29Å; A39-Q43 WeakPolarHBondContact O-CB 3.41Å; A39-Q43 PolarHBondContact O-N 3.43Å; L40-Q43 PolarHBondContact O-N 3.27Å; E41-Q43 PolarHBondContact O-N 2.98Å; Q43-G45 VanDerWaalsContact C-N 3.31Å
44L95.1Very high93.5Very high62 Ų6276.8 Ų76.833%0.32539%0.39SS..Hα-helixtrans-80.8-14.2177.2-63.4168.5000112.8L40 E41 H42 T46 L48 Y65L40-L44 HydrophobicContact CD1-CD1 4.15Å; L40-L44 HydrophobicContact CD1-CG 4.45Å; L40-L44 HydrophobicContact CG-CD1 3.99Å; L40-L44 VanDerWaalsContact O-CG 3.3Å; L40-L44 WeakPolarHBondContact O-CG 3.3Å; L40-L44 PolarHBondContact O-N 2.89Å; E41-L44 CarbonylContact O-C 3.58Å; E41-L44 PolarHBondContact O-N 2.98Å; H42-L44 VanDerWaalsContact C-N 3.32Å; H42-L44 PolarHBondContact O-N 2.96Å; L44-T46 HydrophobicContact CB-CG2 3.93Å; L44-T46 PolarHBondContact O-N 3.19Å; L44-L48 HydrophobicContact CD1-CD1 3.7Å; L44-L48 HydrophobicContact CD1-CD2 4.29Å; L44-L48 HydrophobicContact CD1-CG 4.27Å; L44-Y65 HydrophobicContact CD1-CD2 3.69Å; L44-Y65 HydrophobicContact CD1-CE2 3.38Å; L44-Y65 HydrophobicContact CD1-CG 4.39Å; L44-Y65 HydrophobicContact CD2-CD2 4.45Å; L44-Y65 HydrophobicContact CD2-CE2 3.86Å; L44-Y65 HydrophobicContact CG-CE2 4.27Å
45G95.8Very high93Very high73 Ų7382.9 Ų82.975%0.75341%0.409SS*.THydrogen-bonded Turntrans66.618.5-174.300000113.6E41 H42 Q43E41-G45 PolarHBondContact O-N 2.96Å; H42-G45 PolarHBondContact O-N 3.27Å; Q43-G45 VanDerWaalsContact C-N 3.31Å
46T95.9Very high92.8Very high50 Ų5075.5 Ų75.531%0.30738%0.382SS..SBendtrans-142147-177.8-171.10000111.6E41 L44 L48 E61E41-T46 WeakPolarHBondContact CA-O 3.36Å; E41-T46 VanDerWaalsContact CB-O 3.27Å; E41-T46 WeakPolarHBondContact CB-O 3.34Å; E41-T46 PolarHBondContact O-N 3.5Å; L44-T46 HydrophobicContact CB-CG2 3.93Å; L44-T46 PolarHBondContact O-N 3.19Å; T46-L48 HydrophobicContact CG2-CD2 3.77Å; T46-E61 HydrophobicContact CG2-CB 4.46Å
47Q96Very high92.6Very high107 Ų10778.3 Ų78.350%0.539%0.394SS..  trans-83.1122173.4-174.6174.36.300109L49 T59Q47-L49 WeakPolarHBondContact CG-O 3.33Å; Q47-L49 PolarHBondContact NE2-O 3.11Å; Q47-T59 HydrophobicContact CG-CG2 4.35Å; Q47-T59 WeakPolarHBondContact O-CB 3.49Å; Q47-T59 WeakPolarHBondContact O-CG2 3.16Å; Q47-T59 PolarHBondContact O-OG1 3.07Å
48L97.1Very high92.5Very high1 Ų180.7 Ų80.71%0.00541%0.407CS..  trans-95-25.3179.8-58.6-179.9000112F10 L40 E41 L44 T46 T59 G62 Y65F10-L48 HydrophobicContact CD2-CB 4.19Å; F10-L48 HydrophobicContact CD2-CD1 4.02Å; F10-L48 HydrophobicContact CE1-CD1 4.49Å; F10-L48 HydrophobicContact CE2-CB 3.43Å; F10-L48 VanDerWaalsContact CE2-CB 3.43Å; F10-L48 HydrophobicContact CE2-CD1 3.83Å; F10-L48 HydrophobicContact CE2-CG 4.29Å; F10-L48 HydrophobicContact CG-CD1 4.42Å; F10-L48 HydrophobicContact CZ-CB 3.94Å; F10-L48 HydrophobicContact CZ-CD1 4.07Å; L40-L48 HydrophobicContact CD2-CD1 4.33Å; E41-L48 HydrophobicContact CG-CB 4.1Å; E41-L48 HydrophobicContact CG-CD1 4.37Å; E41-L48 HydrophobicContact CG-CG 3.98Å; E41-L48 PolarHBondContact OE1-N 3.42Å; L44-L48 HydrophobicContact CD1-CD1 3.7Å; L44-L48 HydrophobicContact CD1-CD2 4.29Å; L44-L48 HydrophobicContact CD1-CG 4.27Å; T46-L48 HydrophobicContact CG2-CD2 3.77Å; L48-T59 VanDerWaalsContact C-OG1 3.28Å; L48-T59 VanDerWaalsContact CA-OG1 3.32Å; L48-T59 WeakPolarHBondContact CA-OG1 3.32Å; L48-T59 PolarHBondContact O-N 3.44Å; L48-T59 PolarHBondContact O-OG1 2.97Å; L48-T59 VanDerWaalsContact O-OG1 3.11Å; L48-G62 WeakPolarHBondContact O-CA 3.27Å; L48-Y65 HydrophobicContact CD1-CD1 3.6Å; L48-Y65 HydrophobicContact CD1-CD2 4.39Å; L48-Y65 HydrophobicContact CD1-CE1 4.01Å; L48-Y65 HydrophobicContact CD1-CG 3.81Å; L48-Y65 HydrophobicContact CD2-CD2 4.48Å; L48-Y65 HydrophobicContact CD2-CG 4.02Å
49L96.2Very high92.5Very high0 Ų076.6 Ų76.60%039%0.388CS..EExtended strand (participates in β ladder)trans-123.6127.4-178.4-61.4173.4000111.9F10 V13 F19 I37 E41 Q47 R51 V56 K57 L58F10-L49 HydrophobicContact CD2-CD1 4.21Å; F10-L49 HydrophobicContact CD2-CD2 4.35Å; F10-L49 HydrophobicContact CD2-CG 4.17Å; F10-L49 HydrophobicContact CE2-CD1 4.35Å; F10-L49 HydrophobicContact CE2-CD2 3.73Å; F10-L49 HydrophobicContact CE2-CG 3.82Å; V13-L49 HydrophobicContact CG1-CD1 3.68Å; F19-L49 HydrophobicContact CE2-CD1 4.26Å; F19-L49 HydrophobicContact CZ-CD1 3.71Å; I37-L49 HydrophobicContact CD1-CD1 4.48Å; I37-L49 HydrophobicContact CG2-CD1 3.95Å; E41-L49 PolarHBondContact OE1-N 2.94Å; Q47-L49 WeakPolarHBondContact CG-O 3.33Å; Q47-L49 PolarHBondContact NE2-O 3.11Å; L49-R51 HydrophobicContact CB-CG 4.13Å; L49-R51 PolarHBondContact O-N 2.83Å; L49-V56 HydrophobicContact CB-CG1 4.18Å; L49-V56 HydrophobicContact CD1-CG1 3.98Å; L49-V56 HydrophobicContact CD2-CG1 3.97Å; L49-V56 HydrophobicContact CG-CG1 4.27Å; L49-K57 CarbonylContact C-O 3.56Å; L49-K57 VanDerWaalsContact CA-O 3.31Å; L49-K57 WeakPolarHBondContact CA-O 3.38Å; L49-L58 HydrophobicContact CD2-CD2 3.82Å; L49-L58 HydrophobicContact CD2-CG 4.46Å
50Q93.5Very high92.2Very high107 Ų10779 Ų7950%0.540%0.4SS..EExtended strand (participates in β ladder)trans-75.3116159.9-63-172.7-7.700109V56 K57 T59Q50-V56 WeakPolarHBondContact O-CA 3.31Å; Q50-K57 PolarHBondContact N-O 2.97Å; Q50-K57 PolarHBondContact O-N 2.69Å; Q50-T59 HydrophobicContact CG-CG2 3.69Å
51R89.4Confident92Very high70 Ų7083.6 Ų83.626%0.26442%0.421SS..EExtended strand (participates in β ladder)trans-110.5110.6-176-55.3175.8-164.4-161.52.7108.9F19 S34 Q38 E41 L49F19-R51 HydrophobicContact CE2-CG 4.21Å; F19-R51 HydrophobicContact CZ-CG 4.5Å; S34-R51 PolarHBondContact OG-NH1 3.45Å; Q38-R51 VanDerWaalsContact CG-NH1 3.32Å; E41-R51 IonicContact OE1-NH2 3.66Å; E41-R51 IonicContact OE2-CZ 3.51Å; E41-R51 IonicContact OE2-NE 3.89Å; E41-R51 IonicContact OE2-NH2 2.63Å; E41-R51 PolarHBondContact OE2-NH2 3.26Å; L49-R51 HydrophobicContact CB-CG 4.13Å; L49-R51 PolarHBondContact O-N 2.83Å
52T83.1Confident91.9Very high90 Ų9082.6 Ų82.655%0.55242%0.417SS*.  trans-110164.9165.167.30000108.9R54 R55T52-R54 PolarHBondContact O-N 3.47Å; T52-R54 VanDerWaalsContact O-N 3.09Å; T52-R55 PolarHBondContact N-O 3.21Å; T52-R55 PolarHBondContact OG1-N 2.91Å; T52-R55 PolarHBondContact OG1-O 3.22Å
53T78.8Confident91.7Very high151 Ų15178.8 Ų78.893%0.92640%0.401SS*.SBendtrans-59.8-21.2177.1510000113.4
54R79.6Confident91.3Very high232 Ų23276.7 Ų76.788%0.87540%0.395SS*.SBendtrans-110.1-25.2-175.9-63.6-177.5-177.1177.10.8114.6T52T52-R54 PolarHBondContact O-N 3.47Å; T52-R54 VanDerWaalsContact O-N 3.09Å
55R84.2Confident91.2Very high159 Ų15975.5 Ų75.560%0.639%0.386SS*.  trans-144.2142.3-173.6-64.4-168.3-178.5-161.44.3111.7T52T52-R55 PolarHBondContact N-O 3.21Å; T52-R55 PolarHBondContact OG1-N 2.91Å; T52-R55 PolarHBondContact OG1-O 3.22Å
56V92.1Very high91Very high14 Ų1473.9 Ų73.99%0.08536%0.358CS..EExtended strand (participates in β ladder)trans-110126.5167.1-174.30000106.9V13 F19 L49 Q50V13-V56 HydrophobicContact CG1-CG1 3.91Å; F19-V56 HydrophobicContact CD2-CG1 4.48Å; F19-V56 HydrophobicContact CD2-CG2 3.59Å; F19-V56 HydrophobicContact CE2-CB 4.47Å; F19-V56 HydrophobicContact CE2-CG1 3.89Å; F19-V56 HydrophobicContact CE2-CG2 3.68Å; L49-V56 HydrophobicContact CB-CG1 4.18Å; L49-V56 HydrophobicContact CD1-CG1 3.98Å; L49-V56 HydrophobicContact CD2-CG1 3.97Å; L49-V56 HydrophobicContact CG-CG1 4.27Å; Q50-V56 WeakPolarHBondContact O-CA 3.31Å
57K93.5Very high90.4Very high101 Ų10173.3 Ų73.344%0.43935%0.352SS..EExtended strand (participates in β ladder)trans-131.7152.5175.4-72.5-167.8170.7-166.80110.4L49 Q50L49-K57 CarbonylContact C-O 3.56Å; L49-K57 VanDerWaalsContact CA-O 3.31Å; L49-K57 WeakPolarHBondContact CA-O 3.38Å; Q50-K57 PolarHBondContact N-O 2.97Å; Q50-K57 PolarHBondContact O-N 2.69Å
58L94.2Very high90Very high50 Ų5072.2 Ų72.226%0.26234%0.343SS..EExtended strand (participates in β ladder)trans-67.4139.6170.3-69.5165.7000110.4F10 A14 L49 M63 Y66F10-L58 HydrophobicContact CE1-CD2 4.4Å; F10-L58 HydrophobicContact CE2-CD2 3.9Å; F10-L58 HydrophobicContact CZ-CD2 3.44Å; F10-L58 VanDerWaalsContact CZ-CD2 3.44Å; A14-L58 HydrophobicContact CB-CD1 4.16Å; A14-L58 HydrophobicContact CB-CD2 3.8Å; A14-L58 HydrophobicContact CB-CG 4.11Å; L49-L58 HydrophobicContact CD2-CD2 3.82Å; L49-L58 HydrophobicContact CD2-CG 4.46Å; L58-M63 HydrophobicContact CD1-SD 3.8Å; L58-Y66 HydrophobicContact CD1-CG 4.35Å
59T95.2Very high89.7Confident11 Ų1172.3 Ų72.37%0.06734%0.344CS..  trans-74166.9158.857.70000109.4Q47 L48 Q50 E61 G62 M63Q47-T59 HydrophobicContact CG-CG2 4.35Å; Q47-T59 WeakPolarHBondContact O-CB 3.49Å; Q47-T59 WeakPolarHBondContact O-CG2 3.16Å; Q47-T59 PolarHBondContact O-OG1 3.07Å; L48-T59 VanDerWaalsContact C-OG1 3.28Å; L48-T59 VanDerWaalsContact CA-OG1 3.32Å; L48-T59 WeakPolarHBondContact CA-OG1 3.32Å; L48-T59 PolarHBondContact O-N 3.44Å; L48-T59 PolarHBondContact O-OG1 2.97Å; L48-T59 VanDerWaalsContact O-OG1 3.11Å; Q50-T59 HydrophobicContact CG-CG2 3.69Å; T59-E61 VanDerWaalsContact C-N 3.26Å; T59-E61 PolarHBondContact O-N 3.09Å; T59-G62 CarbonylContact O-C 3.59Å; T59-G62 WeakPolarHBondContact O-CA 3.35Å; T59-G62 PolarHBondContact O-N 2.73Å; T59-G62 VanDerWaalsContact O-N 3.08Å; T59-G62 PolarHBondContact OG1-N 3.28Å; T59-M63 PolarHBondContact O-N 3.34Å
60P90.6Very high89.1Confident92 Ų9274.6 Ų74.660%0.59735%0.354SS*.Hα-helixtrans-52.5-44.9170.3-27.136.5000112.5G62 M63 T64P60-G62 VanDerWaalsContact C-N 3.32Å; P60-G62 PolarHBondContact O-N 3.41Å; P60-M63 WeakPolarHBondContact O-CB 3.36Å; P60-M63 PolarHBondContact O-N 2.93Å; P60-T64 PolarHBondContact O-N 2.64Å; P60-T64 PolarHBondContact O-OG1 3.38Å
61E92.7Very high88.5Confident97 Ų9770.7 Ų70.745%0.45334%0.336SS..Hα-helixtrans-65-38.2176-61.371.5-156.700111.4T46 T59 M63 T64 Y65T46-E61 HydrophobicContact CG2-CB 4.46Å; T59-E61 VanDerWaalsContact C-N 3.26Å; T59-E61 PolarHBondContact O-N 3.09Å; E61-M63 VanDerWaalsContact C-N 3.34Å; E61-M63 PolarHBondContact O-N 3.43Å; E61-T64 PolarHBondContact O-N 3.11Å; E61-Y65 WeakPolarHBondContact O-CB 3.39Å; E61-Y65 PolarHBondContact O-N 3.15Å
62G95Very high88.4Confident0 Ų070.5 Ų70.50%034%0.343CS..Hα-helixtrans-58.6-42.3172.500000113L48 T59 P60 Y65 Y66L48-G62 WeakPolarHBondContact O-CA 3.27Å; T59-G62 CarbonylContact O-C 3.59Å; T59-G62 WeakPolarHBondContact O-CA 3.35Å; T59-G62 PolarHBondContact O-N 2.73Å; T59-G62 VanDerWaalsContact O-N 3.08Å; T59-G62 PolarHBondContact OG1-N 3.28Å; P60-G62 VanDerWaalsContact C-N 3.32Å; P60-G62 PolarHBondContact O-N 3.41Å; G62-Y65 PolarHBondContact O-N 2.98Å; G62-Y66 WeakPolarHBondContact O-CB 3.29Å; G62-Y66 PolarHBondContact O-N 3.49Å
63M91.3Very high88.6Confident83 Ų8367.8 Ų67.841%0.40933%0.325SS..Hα-helixtrans-63.6-46.3177.7-172.464.1-179.700111.1L58 T59 P60 E61 Y65 Y66 Q67L58-M63 HydrophobicContact CD1-SD 3.8Å; T59-M63 PolarHBondContact O-N 3.34Å; P60-M63 WeakPolarHBondContact O-CB 3.36Å; P60-M63 PolarHBondContact O-N 2.93Å; E61-M63 VanDerWaalsContact C-N 3.34Å; E61-M63 PolarHBondContact O-N 3.43Å; M63-Y65 PolarHBondContact O-N 2.98Å; M63-Y66 PolarHBondContact O-N 3.47Å; M63-Y66 HydrophobicContact SD-CD1 4.5Å; M63-Q67 WeakPolarHBondContact O-CG 3.11Å; M63-Q67 PolarHBondContact O-N 3.45Å; M63-Q67 VanDerWaalsContact O-N 3.07Å
64T88.4Confident88.6Confident61 Ų6161.3 Ų61.337%0.37429%0.286SS..Hα-helixtrans-60.3-46.8174.8-55.50000111P60 E61 Y66 Q67 R68P60-T64 PolarHBondContact O-N 2.64Å; P60-T64 PolarHBondContact O-OG1 3.38Å; E61-T64 PolarHBondContact O-N 3.11Å; T64-Y66 PolarHBondContact O-N 2.77Å; T64-Q67 PolarHBondContact O-N 3.07Å; T64-R68 VanDerWaalsContact O-CG 3.29Å; T64-R68 WeakPolarHBondContact O-CG 3.49Å; T64-R68 PolarHBondContact O-N 3.46Å; T64-R68 VanDerWaalsContact O-N 3.1Å
65Y93.4Very high88.6Confident36 Ų3652.6 Ų52.614%0.14126%0.256CS..Hα-helixtrans-62.9-41.5178.1-170.5-89.7000112M7 F10 L40 L44 L48 E61 G62 M63 R68 A69M7-Y65 VanDerWaalsContact CE-OH 3.23Å; M7-Y65 WeakPolarHBondContact CE-OH 3.47Å; M7-Y65 HydrophobicContact CG-CE1 4.21Å; M7-Y65 WeakPolarHBondContact CG-OH 3.48Å; F10-Y65 AromaticContact CD1-CD1 3.68Å; F10-Y65 HydrophobicContact CD1-CD1 3.68Å; F10-Y65 AromaticContact CD1-CE1 3.91Å; F10-Y65 HydrophobicContact CD1-CE1 3.91Å; F10-Y65 AromaticContact CE1-CD1 3.5Å; F10-Y65 HydrophobicContact CE1-CD1 3.5Å; F10-Y65 VanDerWaalsContact CE1-CD1 3.5Å; F10-Y65 HydrophobicContact CE1-CE1 4.21Å; F10-Y65 HydrophobicContact CE1-CG 4.49Å; F10-Y65 HydrophobicContact CG-CD1 4.48Å; F10-Y65 HydrophobicContact CZ-CD1 4.16Å; L40-Y65 HydrophobicContact CD2-CE1 3.95Å; L44-Y65 HydrophobicContact CD1-CD2 3.69Å; L44-Y65 HydrophobicContact CD1-CE2 3.38Å; L44-Y65 HydrophobicContact CD1-CG 4.39Å; L44-Y65 HydrophobicContact CD2-CD2 4.45Å; L44-Y65 HydrophobicContact CD2-CE2 3.86Å; L44-Y65 HydrophobicContact CG-CE2 4.27Å; L48-Y65 HydrophobicContact CD1-CD1 3.6Å; L48-Y65 HydrophobicContact CD1-CD2 4.39Å; L48-Y65 HydrophobicContact CD1-CE1 4.01Å; L48-Y65 HydrophobicContact CD1-CG 3.81Å; L48-Y65 HydrophobicContact CD2-CD2 4.48Å; L48-Y65 HydrophobicContact CD2-CG 4.02Å; E61-Y65 WeakPolarHBondContact O-CB 3.39Å; E61-Y65 PolarHBondContact O-N 3.15Å; G62-Y65 PolarHBondContact O-N 2.98Å; M63-Y65 PolarHBondContact O-N 2.98Å; Y65-R68 PolarHBondContact O-N 3.33Å; Y65-A69 HydrophobicContact CD1-CB 4.14Å; Y65-A69 HydrophobicContact CE1-CB 3.91Å; Y65-A69 WeakPolarHBondContact O-CB 3.23Å; Y65-A69 PolarHBondContact O-N 2.8Å
66Y90.8Very high88.6Confident40 Ų4048 Ų4816%0.15724%0.243CC..Hα-helixtrans-58.5-49.4177.6170.7-100.7000112.1F10 I11 A14 E15 L58 G62 M63 T64 A69 K70F10-Y66 HydrophobicContact CE1-CD2 4.44Å; I11-Y66 HydrophobicContact CB-CD2 4.41Å; I11-Y66 HydrophobicContact CB-CE2 4.33Å; I11-Y66 HydrophobicContact CG1-CD2 4.03Å; I11-Y66 HydrophobicContact CG1-CE2 4.32Å; I11-Y66 HydrophobicContact CG2-CD2 4.45Å; I11-Y66 HydrophobicContact CG2-CE2 3.91Å; A14-Y66 HydrophobicContact CB-CD2 3.81Å; A14-Y66 HydrophobicContact CB-CE2 4.06Å; E15-Y66 HydrophobicContact CG-CE2 4.07Å; E15-Y66 WeakPolarHBondContact CG-OH 3.4Å; L58-Y66 HydrophobicContact CD1-CG 4.35Å; G62-Y66 WeakPolarHBondContact O-CB 3.29Å; G62-Y66 PolarHBondContact O-N 3.49Å; M63-Y66 PolarHBondContact O-N 3.47Å; M63-Y66 HydrophobicContact SD-CD1 4.5Å; T64-Y66 PolarHBondContact O-N 2.77Å; Y66-A69 PolarHBondContact O-N 3.38Å; Y66-K70 HydrophobicContact CD1-CD 4.4Å; Y66-K70 HydrophobicContact CD2-CD 4.38Å; Y66-K70 HydrophobicContact CE1-CD 3.83Å; Y66-K70 HydrophobicContact CE2-CD 3.79Å; Y66-K70 HydrophobicContact CE2-CG 4.47Å; Y66-K70 VanDerWaalsContact CZ-CD 3.48Å; Y66-K70 WeakPolarHBondContact O-CG 3.22Å; Y66-K70 PolarHBondContact O-N 3.49Å; Y66-K70 VanDerWaalsContact O-N 3.15Å; Y66-K70 PolarHBondContact OH-NZ 2.88Å; Y66-K70 VanDerWaalsContact OH-NZ 3.11Å
67Q83.2Confident87.8Confident38 Ų3850 Ų5018%0.17826%0.258CS..Hα-helixtrans-60-50.1177.5-70.1172.6-25.900111M63 T64 A69 K70 D71M63-Q67 WeakPolarHBondContact O-CG 3.11Å; M63-Q67 PolarHBondContact O-N 3.45Å; M63-Q67 VanDerWaalsContact O-N 3.07Å; T64-Q67 PolarHBondContact O-N 3.07Å; Q67-A69 PolarHBondContact O-N 3.22Å; Q67-K70 PolarHBondContact O-N 3.22Å; Q67-D71 PolarHBondContact O-N 3.5Å
68R87Confident86.7Confident84 Ų8446.4 Ų46.432%0.31724%0.243SC..Hα-helixtrans-67.8-36.2-178.6-62.7-60.8-168.9-151.9-3.7113.5T64 Y65 K70 D71 V72 L135T64-R68 VanDerWaalsContact O-CG 3.29Å; T64-R68 WeakPolarHBondContact O-CG 3.49Å; T64-R68 PolarHBondContact O-N 3.46Å; T64-R68 VanDerWaalsContact O-N 3.1Å; Y65-R68 PolarHBondContact O-N 3.33Å; R68-K70 VanDerWaalsContact C-N 3.34Å; R68-D71 PolarHBondContact O-N 3.38Å; R68-V72 WeakPolarHBondContact O-CG2 3.22Å; R68-V72 PolarHBondContact O-N 2.88Å; R68-V72 VanDerWaalsContact O-N 3.09Å; R68-L135 PolarHBondContact NH2-O 3.31Å
69A90.9Very high85.8Confident3 Ų348.5 Ų48.53%0.02525%0.254CS..Hα-helixtrans-67.9-36.317900000111.4M7 I11 Y65 Y66 Q67 D71 V72 L73M7-A69 HydrophobicContact CB-CB 4.45Å; M7-A69 HydrophobicContact CG-CB 4.27Å; I11-A69 HydrophobicContact CD1-CB 3.85Å; I11-A69 HydrophobicContact CG1-CB 4.32Å; Y65-A69 HydrophobicContact CD1-CB 4.14Å; Y65-A69 HydrophobicContact CE1-CB 3.91Å; Y65-A69 WeakPolarHBondContact O-CB 3.23Å; Y65-A69 PolarHBondContact O-N 2.8Å; Y66-A69 PolarHBondContact O-N 3.38Å; Q67-A69 PolarHBondContact O-N 3.22Å; A69-D71 VanDerWaalsContact C-N 3.34Å; A69-V72 PolarHBondContact O-N 3.38Å; A69-L73 WeakPolarHBondContact O-CG 3.46Å; A69-L73 PolarHBondContact O-N 2.91Å
70K84.5Confident84.9Confident47 Ų4752.6 Ų52.620%0.20428%0.275CS..Hα-helixtrans-61.8-42.3173.2-74.1-179.770.21600111.8I11 E15 Y66 Q67 R68 L73 S74I11-K70 HydrophobicContact CD1-CG 3.75Å; I11-K70 HydrophobicContact CG1-CG 4.13Å; I11-K70 HydrophobicContact CG2-CD 4.5Å; I11-K70 HydrophobicContact CG2-CG 4.24Å; E15-K70 IonicContact OE1-NZ 3.2Å; Y66-K70 HydrophobicContact CD1-CD 4.4Å; Y66-K70 HydrophobicContact CD2-CD 4.38Å; Y66-K70 HydrophobicContact CE1-CD 3.83Å; Y66-K70 HydrophobicContact CE2-CD 3.79Å; Y66-K70 HydrophobicContact CE2-CG 4.47Å; Y66-K70 VanDerWaalsContact CZ-CD 3.48Å; Y66-K70 WeakPolarHBondContact O-CG 3.22Å; Y66-K70 PolarHBondContact O-N 3.49Å; Y66-K70 VanDerWaalsContact O-N 3.15Å; Y66-K70 PolarHBondContact OH-NZ 2.88Å; Y66-K70 VanDerWaalsContact OH-NZ 3.11Å; Q67-K70 PolarHBondContact O-N 3.22Å; R68-K70 VanDerWaalsContact C-N 3.34Å; K70-L73 PolarHBondContact O-N 3.46Å; K70-S74 WeakPolarHBondContact O-CB 3.42Å; K70-S74 PolarHBondContact O-N 3.08Å
71D81.1Confident83.7Confident25 Ų2548.5 Ų48.513%0.13425%0.25CC..Hα-helixtrans-60.7-46.2175.6-67.8-13.7000111.6Q67 R68 A69 S74 N75 R276Q67-D71 PolarHBondContact O-N 3.5Å; R68-D71 PolarHBondContact O-N 3.38Å; A69-D71 VanDerWaalsContact C-N 3.34Å; D71-S74 PolarHBondContact O-N 3.33Å; D71-N75 WeakPolarHBondContact O-CB 3.39Å; D71-N75 PolarHBondContact O-N 3.37Å; D71-N75 PolarHBondContact O-OD1 3.03Å; D71-R276 IonicContact OD2-NH2 3.69Å
72V87.3Confident82.5Confident67 Ų6748.5 Ų48.541%0.40625%0.252SS..Hα-helixtrans-60.8-47.1178.8171.20000111.4M7 R68 A69 S74 N75 L76M7-V72 HydrophobicContact SD-CG1 4.42Å; R68-V72 WeakPolarHBondContact O-CG2 3.22Å; R68-V72 PolarHBondContact O-N 2.88Å; R68-V72 VanDerWaalsContact O-N 3.09Å; A69-V72 PolarHBondContact O-N 3.38Å; V72-S74 VanDerWaalsContact C-N 3.35Å; V72-N75 PolarHBondContact O-N 3.31Å; V72-L76 WeakPolarHBondContact O-CB 3.24Å; V72-L76 PolarHBondContact O-N 2.84Å
73L86.3Confident81.3Confident33 Ų3357.1 Ų57.117%0.17329%0.29CS..Hα-helixtrans-65.4-38.9178.8-67.9-176.5000112.1I4 M7 Q8 I11 A69 K70 L76 S77I4-L73 HydrophobicContact CD1-CD2 4.41Å; I4-L73 HydrophobicContact CG2-CD2 3.71Å; M7-L73 HydrophobicContact CB-CD1 4.47Å; M7-L73 HydrophobicContact CB-CD2 4.49Å; Q8-L73 HydrophobicContact CB-CD1 4.49Å; Q8-L73 HydrophobicContact CG-CD1 3.64Å; Q8-L73 HydrophobicContact CG-CD2 4.16Å; I11-L73 HydrophobicContact CD1-CD1 3.5Å; I11-L73 VanDerWaalsContact CD1-CD1 3.5Å; I11-L73 HydrophobicContact CD1-CG 4.4Å; A69-L73 WeakPolarHBondContact O-CG 3.46Å; A69-L73 PolarHBondContact O-N 2.91Å; K70-L73 PolarHBondContact O-N 3.46Å; L73-L76 PolarHBondContact O-N 3.15Å; L73-S77 PolarHBondContact O-N 2.89Å; L73-S77 PolarHBondContact O-OG 3.18Å
74S78.6Confident79.8Confident15 Ų1558.9 Ų58.911%0.10530%0.298CS..Hα-helixtrans-65.9-39.4176.4-165.90000111.7K70 D71 V72 S77 E78 R282K70-S74 WeakPolarHBondContact O-CB 3.42Å; K70-S74 PolarHBondContact O-N 3.08Å; D71-S74 PolarHBondContact O-N 3.33Å; V72-S74 VanDerWaalsContact C-N 3.35Å; S74-S77 WeakPolarHBondContact CA-OG 3.45Å; S74-S77 PolarHBondContact O-N 3.02Å; S74-S77 PolarHBondContact O-OG 3Å; S74-E78 WeakPolarHBondContact O-CG 3.5Å; S74-E78 PolarHBondContact O-N 3.47Å; S74-R282 VanDerWaalsContact OG-CZ 3.29Å; S74-R282 PolarHBondContact OG-NH1 3.42Å
75N80.6Confident78.1Confident48 Ų4865.5 Ų65.526%0.25732%0.324SS..Hα-helixtrans-69-36.3175.9-67.3-4.3000111.7D71 V72 E78 L79 S280 R282D71-N75 WeakPolarHBondContact O-CB 3.39Å; D71-N75 PolarHBondContact O-N 3.37Å; D71-N75 PolarHBondContact O-OD1 3.03Å; V72-N75 PolarHBondContact O-N 3.31Å; N75-E78 PolarHBondContact O-N 3.42Å; N75-L79 WeakPolarHBondContact O-CG 3.36Å; N75-L79 PolarHBondContact O-N 3.34Å; N75-S280 WeakPolarHBondContact OD1-CB 3.41Å; N75-R282 PolarHBondContact OD1-NH1 3.23Å
76L83.1Confident76.4Confident63 Ų6368.9 Ų68.933%0.3335%0.345SS..Hα-helixtrans-62.2-46.2173-175.663.8000111I4 V72 L73 E78 L79 D80I4-L76 HydrophobicContact CD1-CD2 4.12Å; I4-L76 HydrophobicContact CG1-CD2 4.25Å; I4-L76 HydrophobicContact CG2-CD2 3.93Å; V72-L76 WeakPolarHBondContact O-CB 3.24Å; V72-L76 PolarHBondContact O-N 2.84Å; L73-L76 PolarHBondContact O-N 3.15Å; L76-E78 VanDerWaalsContact C-N 3.29Å; L76-E78 PolarHBondContact O-N 3.5Å; L76-L79 WeakPolarHBondContact O-CB 3.45Å; L76-L79 PolarHBondContact O-N 2.91Å; L76-D80 PolarHBondContact O-N 3.21Å
77S75.7Confident74.7Confident56 Ų5670.5 Ų70.539%0.39237%0.366SS..Hα-helixtrans-63.5-33.6174.954.80000113.2L73 S74 G81L73-S77 PolarHBondContact O-N 2.89Å; L73-S77 PolarHBondContact O-OG 3.18Å; S74-S77 WeakPolarHBondContact CA-OG 3.45Å; S74-S77 PolarHBondContact O-N 3.02Å; S74-S77 PolarHBondContact O-OG 3Å; S77-G81 PolarHBondContact O-N 3.12Å
78E70.5Confident73.5Confident26 Ų2674.4 Ų74.412%0.12139%0.393CS..Hα-helixtrans-65.2-43.8172.6-79.5-178-158.800111.6S74 N75 L76 G81 L82 S280 R281 R282S74-E78 WeakPolarHBondContact O-CG 3.5Å; S74-E78 PolarHBondContact O-N 3.47Å; N75-E78 PolarHBondContact O-N 3.42Å; L76-E78 VanDerWaalsContact C-N 3.29Å; L76-E78 PolarHBondContact O-N 3.5Å; E78-G81 CarbonylContact O-C 3.54Å; E78-G81 WeakPolarHBondContact O-CA 3.47Å; E78-G81 PolarHBondContact O-N 2.99Å; E78-G81 VanDerWaalsContact O-N 3.12Å; E78-L82 WeakPolarHBondContact O-CG 3.46Å; E78-L82 PolarHBondContact O-N 2.96Å; E78-S280 WeakPolarHBondContact OE2-CB 3.29Å; E78-R281 PolarHBondContact OE2-N 2.96Å; E78-R282 VanDerWaalsContact OE1-CD 3.29Å; E78-R282 WeakPolarHBondContact OE1-CD 3.21Å; E78-R282 WeakPolarHBondContact OE1-CG 3.45Å; E78-R282 IonicContact OE1-CZ 2.72Å; E78-R282 IonicContact OE1-NE 3.94Å; E78-R282 IonicContact OE1-NH1 3.7Å; E78-R282 PolarHBondContact OE1-NH1 3.05Å
79L76Confident72.7Confident94 Ų9472.3 Ų72.349%0.49239%0.391SS..Hα-helixtrans-60.8-45.4176.2-73.2172.8000111.5N75 L76 G81 L82 F83N75-L79 WeakPolarHBondContact O-CG 3.36Å; N75-L79 PolarHBondContact O-N 3.34Å; L76-L79 WeakPolarHBondContact O-CB 3.45Å; L76-L79 PolarHBondContact O-N 2.91Å; L79-G81 PolarHBondContact O-N 3.34Å; L79-L82 HydrophobicContact CD2-CD1 3.93Å; L79-L82 WeakPolarHBondContact O-CB 3.36Å; L79-L82 PolarHBondContact O-N 2.92Å; L79-F83 WeakPolarHBondContact O-CD2 3.27Å
80D75.3Confident72.2Confident96 Ų9672.7 Ų72.751%0.51339%0.392SS..Hα-helixtrans-61.8-32.9174.9-68.7-25.3000111.6L76 Q84L76-D80 PolarHBondContact O-N 3.21Å; D80-Q84 PolarHBondContact O-NE2 3.16Å; D80-Q84 VanDerWaalsContact O-NE2 3.09Å
81G67Low72.3Confident6 Ų672.7 Ų72.76%0.06240%0.398CS..Hα-helixtrans-75.6-25.6176.300000114.7S77 E78 L79 F83 Q84S77-G81 PolarHBondContact O-N 3.12Å; E78-G81 CarbonylContact O-C 3.54Å; E78-G81 WeakPolarHBondContact O-CA 3.47Å; E78-G81 PolarHBondContact O-N 2.99Å; E78-G81 VanDerWaalsContact O-N 3.12Å; L79-G81 PolarHBondContact O-N 3.34Å; G81-F83 PolarHBondContact O-N 3.4Å; G81-Q84 PolarHBondContact O-N 3.07Å
82L65.8Low72.4Confident98 Ų9872.4 Ų72.451%0.51340%0.401SS..Hα-helixtrans-60-28.9179.5-75.4175.5000113E78 L79E78-L82 WeakPolarHBondContact O-CG 3.46Å; E78-L82 PolarHBondContact O-N 2.96Å; L79-L82 HydrophobicContact CD2-CD1 3.93Å; L79-L82 WeakPolarHBondContact O-CB 3.36Å; L79-L82 PolarHBondContact O-N 2.92Å
83F69.6Low72.6Confident181 Ų18172.7 Ų72.779%0.79440%0.397SS*.THydrogen-bonded Turntrans-92.7-8.4178.8-58.8-77.9000113.1L79 G81L79-F83 WeakPolarHBondContact O-CD2 3.27Å; G81-F83 PolarHBondContact O-N 3.4Å
84Q61.2Low72.9Confident120 Ų12071.1 Ų71.156%0.56139%0.389SS*.SBendtrans-89.3122.8172.6-64.5175.65200107.3D80 G81 D86D80-Q84 PolarHBondContact O-NE2 3.16Å; D80-Q84 VanDerWaalsContact O-NE2 3.09Å; G81-Q84 PolarHBondContact O-N 3.07Å; Q84-D86 PolarHBondContact O-N 2.92Å
85Q52.2Low73.6Confident199 Ų19974.3 Ų74.393%0.9340%0.399SS*.SBendtrans-64.5-0.9-172.2-72.8-175.2-31.100114.8A87Q85-A87 PolarHBondContact O-N 2.7Å
86D58.4Low74.4Confident107 Ų10772 Ų7257%0.57239%0.387SS*.  trans-84.6103.5179.4-71.3-24.6000111.2Q84 T88 S89Q84-D86 PolarHBondContact O-N 2.92Å; D86-T88 PolarHBondContact O-N 2.95Å; D86-S89 WeakPolarHBondContact O-CB 3.41Å; D86-S89 PolarHBondContact O-N 3.18Å; D86-S89 VanDerWaalsContact O-N 3.15Å; D86-S89 PolarHBondContact O-OG 3.29Å
87A55.4Low74.9Confident74 Ų7469 Ų6961%0.61237%0.371SS*.G310 helixtrans-57.6-13.5169.600000113.5Q85 S89Q85-A87 PolarHBondContact O-N 2.7Å; A87-S89 VanDerWaalsContact C-N 3.26Å; A87-S89 PolarHBondContact O-N 2.92Å
88T58Low75.9Confident120 Ų12066.4 Ų66.474%0.73635%0.353SS*.G310 helixtrans-79.52.4176.349.50000114.2D86 I90D86-T88 PolarHBondContact O-N 2.95Å; T88-I90 PolarHBondContact O-N 3.38Å
89S69.9Low77Confident40 Ų4065.9 Ų65.928%0.2835%0.351SS..G310 helixtrans-79.5-9.9-176.555.40000115.6D86 A87 S91D86-S89 WeakPolarHBondContact O-CB 3.41Å; D86-S89 PolarHBondContact O-N 3.18Å; D86-S89 VanDerWaalsContact O-N 3.15Å; D86-S89 PolarHBondContact O-OG 3.29Å; A87-S89 VanDerWaalsContact C-N 3.26Å; A87-S89 PolarHBondContact O-N 2.92Å; S89-S91 PolarHBondContact O-N 3.35Å; S89-S91 PolarHBondContact O-OG 2.81Å
90I80.5Confident77.8Confident11 Ų1163 Ų636%0.05634%0.339CS..  trans-69.2113.2-174.8-51.8-178.6000109.3T88 I121 R281 R282 L285T88-I90 PolarHBondContact O-N 3.38Å; I90-I121 HydrophobicContact CG2-CD1 4.01Å; I90-I121 HydrophobicContact CG2-CG1 4.27Å; I90-R281 HydrophobicContact CD1-CG 4.09Å; I90-R282 HydrophobicContact CG2-CB 3.93Å; I90-L285 HydrophobicContact CD1-CD1 3.16Å; I90-L285 HydrophobicContact CG2-CD1 4.44Å
91S85.4Confident78.5Confident47 Ų4759.5 Ų59.533%0.32933%0.325SS..EExtended strand (participates in β ladder)trans-144.6164.9-175.359.70000111.4S89 G120S89-S91 PolarHBondContact O-N 3.35Å; S89-S91 PolarHBondContact O-OG 2.81Å; S91-G120 WeakPolarHBondContact CA-O 3.3Å; S91-G120 WeakPolarHBondContact CB-O 3.17Å
92G84.7Confident79.8Confident19 Ų1959.7 Ų59.720%0.19632%0.324CS..EExtended strand (participates in β ladder)trans123.9177.5177.500000112.5G120 I121 E122G92-G120 PolarHBondContact N-O 2.69Å; G92-I121 WeakPolarHBondContact O-CA 3.25Å; G92-E122 PolarHBondContact O-N 3.06Å
93K89.9Confident81.2Confident74 Ų7455.1 Ų55.132%0.32230%0.301SS..EExtended strand (participates in β ladder)trans-90.6139.7-178.3-65.2175.1-178.3-87.90110.2E122 R282K93-E122 CarbonylContact C-O 3.48Å; K93-E122 VanDerWaalsContact CA-O 3.27Å; K93-E122 WeakPolarHBondContact CA-O 3.37Å; K93-E122 VanDerWaalsContact CE-OE2 3.29Å; K93-E122 WeakPolarHBondContact CE-OE2 3.42Å; K93-E122 HydrophobicContact CG-CB 4.01Å; K93-E122 IonicContact NZ-OE2 3.92Å; K93-E122 PolarHBondContact NZ-OE2 3.33Å; K93-R282 PolarHBondContact O-NE 2.8Å
94L92.8Very high82.3Confident0 Ų053.2 Ų53.20%029%0.292CS..EExtended strand (participates in β ladder)trans-118.8121.4169.5-77.7-179000108.9I121 E122 L123 E124 D140 R282 V283 F286L94-I121 HydrophobicContact CB-CG2 4.43Å; L94-I121 HydrophobicContact CD1-CD1 4.38Å; L94-I121 HydrophobicContact CD1-CG2 3.74Å; L94-I121 HydrophobicContact CG-CG2 4.04Å; L94-E122 PolarHBondContact N-O 2.91Å; L94-L123 CarbonylContact O-C 3.52Å; L94-L123 WeakPolarHBondContact O-CA 3.37Å; L94-E124 PolarHBondContact O-N 2.61Å; L94-D140 WeakPolarHBondContact CA-OD2 3.38Å; L94-D140 HydrophobicContact CD2-CB 4.34Å; L94-R282 HydrophobicContact CD1-CB 4.45Å; L94-R282 HydrophobicContact CD2-CB 4.24Å; L94-R282 HydrophobicContact CD2-CG 3.72Å; L94-R282 HydrophobicContact CG-CB 4.4Å; L94-R282 HydrophobicContact CG-CG 4.24Å; L94-V283 HydrophobicContact CD2-CB 4.3Å; L94-V283 HydrophobicContact CD2-CG2 3.41Å; L94-V283 VanDerWaalsContact CD2-CG2 3.41Å; L94-F286 HydrophobicContact CD1-CB 3.55Å; L94-F286 HydrophobicContact CD1-CD2 4.26Å; L94-F286 HydrophobicContact CD1-CG 3.86Å
95R93.8Very high83.7Confident81 Ų8149.1 Ų49.131%0.30628%0.277SS..EExtended strand (participates in β ladder)trans-108.3119.7177-171.1-179.5174.3121-12110.2E124 D137 F139 D140R95-E124 WeakPolarHBondContact CA-O 3.41Å; R95-E124 HydrophobicContact CB-CB 4.26Å; R95-E124 HydrophobicContact CG-CB 4.05Å; R95-E124 IonicContact CZ-OE2 2.83Å; R95-E124 IonicContact NH1-OE2 3.85Å; R95-E124 PolarHBondContact NH1-OE2 3.48Å; R95-D137 PolarHBondContact NE-O 3.05Å; R95-F139 HydrophobicContact CG-CD1 3.72Å; R95-F139 HydrophobicContact CG-CE1 3.79Å; R95-D140 PolarHBondContact N-OD2 2.91Å; R95-D140 PolarHBondContact O-N 3.02Å
96I96.2Very high85.6Confident1 Ų139.8 Ų39.81%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-130.8154.5-173.668.8173.5000112.1I98 L107 L123 E124 L125 S126 F139 C141 F286I96-I98 HydrophobicContact CD1-CD1 4.1Å; I96-I98 HydrophobicContact CD1-CG1 4.45Å; I96-L107 HydrophobicContact CD1-CD1 3.9Å; I96-L123 HydrophobicContact CD1-CD1 3.97Å; I96-L123 HydrophobicContact CD1-CD2 3.91Å; I96-L123 HydrophobicContact CD1-CG 4.22Å; I96-L123 HydrophobicContact CG1-CD2 4.18Å; I96-L123 HydrophobicContact CG1-CG 4.47Å; I96-E124 PolarHBondContact N-O 3.32Å; I96-L125 HydrophobicContact CD1-CD1 3.92Å; I96-L125 HydrophobicContact CG1-CB 4.49Å; I96-L125 HydrophobicContact CG1-CD1 3.79Å; I96-S126 WeakPolarHBondContact O-CB 3.4Å; I96-S126 PolarHBondContact O-N 3.34Å; I96-F139 VanDerWaalsContact C-CD1 3.49Å; I96-F139 WeakPolarHBondContact O-CE1 3.44Å; I96-C141 WeakPolarHBondContact CA-O 3.33Å; I96-C141 WeakPolarHBondContact CB-O 3.42Å; I96-C141 VanDerWaalsContact CG2-SG 3.59Å; I96-F286 HydrophobicContact CB-CE1 4.46Å; I96-F286 HydrophobicContact CD1-CE1 3.66Å; I96-F286 HydrophobicContact CD1-CE2 4.3Å; I96-F286 HydrophobicContact CD1-CZ 3.32Å; I96-F286 HydrophobicContact CG2-CD1 4.18Å; I96-F286 HydrophobicContact CG2-CE1 3.72Å; I96-F286 HydrophobicContact CG2-CZ 4.38Å
97D95.6Very high87.3Confident0 Ų034.7 Ų34.70%021%0.206CC..EExtended strand (participates in β ladder)trans-125.5129171.9-174.373.8000110.3S126 H128 V132 F139 C141 V142 I143 R144D97-S126 VanDerWaalsContact CA-O 3.28Å; D97-S126 WeakPolarHBondContact CA-O 3.21Å; D97-S126 VanDerWaalsContact OD1-CB 3.3Å; D97-S126 WeakPolarHBondContact OD1-CB 3.42Å; D97-S126 PolarHBondContact OD1-OG 2.88Å; D97-H128 IonicContact OD1-ND1 3.78Å; D97-H128 PolarHBondContact OD1-ND1 2.72Å; D97-V132 HydrophobicContact CB-CG2 3.77Å; D97-F139 HydrophobicContact CB-CD1 3.99Å; D97-F139 HydrophobicContact CB-CE1 3.78Å; D97-F139 HydrophobicContact CB-CG 4.49Å; D97-F139 HydrophobicContact CB-CZ 4.06Å; D97-C141 PolarHBondContact N-O 3.11Å; D97-V142 HydrophobicContact CB-CB 4.07Å; D97-V142 HydrophobicContact CB-CG1 3.64Å; D97-V142 CarbonylContact O-C 3.58Å; D97-V142 WeakPolarHBondContact O-CA 3.29Å; D97-V142 WeakPolarHBondContact O-CB 3.41Å; D97-I143 PolarHBondContact O-N 2.99Å; D97-R144 IonicContact OD2-CZ 2.87Å; D97-R144 IonicContact OD2-NH1 3.97Å; D97-R144 PolarHBondContact OD2-NH1 3.29Å; D97-R144 IonicContact OD2-NH2 2.76Å
98I95.6Very high89.3Confident1 Ų135.5 Ų35.51%0.00520%0.199CC..  trans-138.4137.5-179.4-59.3-169.8000109.5I96 I102 A103 L107 L125 S126 S127 I143 L290I96-I98 HydrophobicContact CD1-CD1 4.1Å; I96-I98 HydrophobicContact CD1-CG1 4.45Å; I98-I102 HydrophobicContact CG2-CB 3.81Å; I98-I102 HydrophobicContact CG2-CG2 3.63Å; I98-A103 HydrophobicContact CB-CB 4.21Å; I98-A103 HydrophobicContact CG2-CB 3.98Å; I98-L107 HydrophobicContact CD1-CB 4.24Å; I98-L107 HydrophobicContact CD1-CD1 3.28Å; I98-L107 HydrophobicContact CD1-CG 4.27Å; I98-L125 HydrophobicContact CB-CD1 4.25Å; I98-L125 HydrophobicContact CG1-CD1 4.26Å; I98-S126 PolarHBondContact N-O 2.92Å; I98-S127 VanDerWaalsContact O-CA 3.23Å; I98-S127 WeakPolarHBondContact O-CA 3.3Å; I98-S127 VanDerWaalsContact O-CB 3.25Å; I98-S127 WeakPolarHBondContact O-CB 3.39Å; I98-S127 PolarHBondContact O-OG 3.2Å; I98-I143 HydrophobicContact CB-CB 4.35Å; I98-I143 HydrophobicContact CD1-CG1 3.89Å; I98-I143 HydrophobicContact CG1-CB 4.03Å; I98-I143 HydrophobicContact CG1-CG1 3.81Å; I98-I143 HydrophobicContact CG2-CB 4.11Å; I98-I143 HydrophobicContact CG2-CG1 4.35Å; I98-L290 HydrophobicContact CD1-CD1 4.35Å; I98-L290 HydrophobicContact CD1-CD2 4.03Å
99P93.4Very high91Very high15 Ų1533.6 Ų33.610%0.09719%0.189CC..  trans-53.4137.1177.9-27.335.4000111.5G101 I102 A103 I143 T145P99-G101 VanDerWaalsContact C-N 3.29Å; P99-G101 PolarHBondContact O-N 2.88Å; P99-G101 VanDerWaalsContact O-N 3.12Å; P99-I102 HydrophobicContact CB-CB 4.49Å; P99-I102 HydrophobicContact CB-CG1 4.31Å; P99-I102 PolarHBondContact O-N 3.34Å; P99-A103 PolarHBondContact O-N 3.22Å; P99-I143 VanDerWaalsContact CD-O 3.31Å; P99-I143 WeakPolarHBondContact CD-O 3.23Å; P99-T145 HydrophobicContact CG-CG2 4.47Å
100P93.1Very high92.2Very high34 Ų3435.3 Ų35.322%0.22119%0.19CC..Hα-helixtrans-52-43-170.8-28.232.7000114.3I102 A103 K104P100-I102 VanDerWaalsContact C-N 3.32Å; P100-I102 PolarHBondContact O-N 2.79Å; P100-A103 PolarHBondContact O-N 3.09Å; P100-K104 VanDerWaalsContact O-CB 3.31Å; P100-K104 WeakPolarHBondContact O-CB 3.39Å; P100-K104 PolarHBondContact O-N 3.16Å
101G91Very high93Very high22 Ų2235.7 Ų35.723%0.22719%0.192CC..Hα-helixtrans-62.5-36.6178.100000113.7P99 S105P99-G101 VanDerWaalsContact C-N 3.29Å; P99-G101 PolarHBondContact O-N 2.88Å; P99-G101 VanDerWaalsContact O-N 3.12Å; G101-S105 WeakPolarHBondContact O-CB 3.39Å; G101-S105 PolarHBondContact O-N 3.33Å; G101-S105 VanDerWaalsContact O-N 3.08Å; G101-S105 PolarHBondContact O-OG 3.5Å
102I93.1Very high93.5Very high9 Ų937.4 Ų37.45%0.04620%0.203CC..Hα-helixtrans-77.5-42.4179-61.3-59.9000110.7I98 P99 P100 K104 S105 L106 L107 I143 L161 I244 L269 M294I98-I102 HydrophobicContact CG2-CB 3.81Å; I98-I102 HydrophobicContact CG2-CG2 3.63Å; P99-I102 HydrophobicContact CB-CB 4.49Å; P99-I102 HydrophobicContact CB-CG1 4.31Å; P99-I102 PolarHBondContact O-N 3.34Å; P100-I102 VanDerWaalsContact C-N 3.32Å; P100-I102 PolarHBondContact O-N 2.79Å; I102-K104 VanDerWaalsContact C-N 3.34Å; I102-K104 PolarHBondContact O-N 3.34Å; I102-S105 PolarHBondContact O-N 3.34Å; I102-L106 HydrophobicContact CD1-CD1 4.21Å; I102-L106 HydrophobicContact CG2-CB 4.46Å; I102-L106 HydrophobicContact CG2-CD1 4.28Å; I102-L106 WeakPolarHBondContact O-CB 3.45Å; I102-L106 PolarHBondContact O-N 3Å; I102-L107 PolarHBondContact O-N 3.09Å; I102-I143 HydrophobicContact CG2-CG2 4.5Å; I102-L161 HydrophobicContact CD1-CD1 3.81Å; I102-L161 HydrophobicContact CD1-CD2 4.14Å; I102-I244 HydrophobicContact CD1-CG2 4.22Å; I102-L269 HydrophobicContact CG1-CD1 4.48Å; I102-M294 HydrophobicContact CG2-CE 3.35Å; I102-M294 HydrophobicContact CG2-SD 3.89Å
103A95Very high94Very high3 Ų340.4 Ų40.43%0.02521%0.213CC..Iπ-helixtrans-56.8-49.3175.400000111I98 P99 P100 L107 L108 L125I98-A103 HydrophobicContact CB-CB 4.21Å; I98-A103 HydrophobicContact CG2-CB 3.98Å; P99-A103 PolarHBondContact O-N 3.22Å; P100-A103 PolarHBondContact O-N 3.09Å; A103-L107 PolarHBondContact O-N 3.1Å; A103-L108 WeakPolarHBondContact O-CB 3.37Å; A103-L108 WeakPolarHBondContact O-CG 3.16Å; A103-L108 PolarHBondContact O-N 3.38Å; A103-L125 HydrophobicContact CB-CD2 4.39Å
104K93Very high94.3Very high141 Ų14137 Ų3761%0.61320%0.198SC*.Iπ-helixtrans-65.5-43179-179.4177.5-178.9173.60113.4P100 I102 P109P100-K104 VanDerWaalsContact O-CB 3.31Å; P100-K104 WeakPolarHBondContact O-CB 3.39Å; P100-K104 PolarHBondContact O-N 3.16Å; I102-K104 VanDerWaalsContact C-N 3.34Å; I102-K104 PolarHBondContact O-N 3.34Å; K104-P109 WeakPolarHBondContact O-CD 3.4Å; K104-P109 WeakPolarHBondContact O-CG 3.4Å
105S90.5Very high94.4Very high33 Ų3340 Ų4023%0.23121%0.213CC..Iπ-helixtrans-90.4-28.6-168.5-500000113.8G101 I102G101-S105 WeakPolarHBondContact O-CB 3.39Å; G101-S105 PolarHBondContact O-N 3.33Å; G101-S105 VanDerWaalsContact O-N 3.08Å; G101-S105 PolarHBondContact O-OG 3.5Å; I102-S105 PolarHBondContact O-N 3.34Å
106L92Very high94.3Very high3 Ų345.5 Ų45.52%0.01624%0.236CC..Iπ-helixtrans-121.3-51-170.6-59.3-175.3000113.1I102 I244 V293 M294 H297I102-L106 HydrophobicContact CD1-CD1 4.21Å; I102-L106 HydrophobicContact CG2-CB 4.46Å; I102-L106 HydrophobicContact CG2-CD1 4.28Å; I102-L106 WeakPolarHBondContact O-CB 3.45Å; I102-L106 PolarHBondContact O-N 3Å; L106-I244 HydrophobicContact CD1-CG1 4.46Å; L106-I244 HydrophobicContact CD2-CD1 3.89Å; L106-I244 HydrophobicContact CD2-CG1 3.88Å; L106-I244 HydrophobicContact CG-CG1 4.25Å; L106-V293 WeakPolarHBondContact O-CG1 3.49Å; L106-M294 HydrophobicContact CB-CE 4.44Å; L106-M294 HydrophobicContact CB-SD 4.06Å; L106-M294 HydrophobicContact CD1-SD 3.52Å; L106-M294 VanDerWaalsContact CD1-SD 3.52Å; L106-M294 HydrophobicContact CG-SD 4.44Å; L106-H297 HydrophobicContact CD1-CB 4.07Å; L106-H297 HydrophobicContact CD2-CB 3.74Å
107L94.8Very high94.1Very high0 Ų051 Ų510%026%0.264CS..Iπ-helixtrans-73.8-60.2-175.4177139.5000112.5I96 I98 I102 A103 P109 R110 L111 L125 F286 W289 L290I96-L107 HydrophobicContact CD1-CD1 3.9Å; I98-L107 HydrophobicContact CD1-CB 4.24Å; I98-L107 HydrophobicContact CD1-CD1 3.28Å; I98-L107 HydrophobicContact CD1-CG 4.27Å; I102-L107 PolarHBondContact O-N 3.09Å; A103-L107 PolarHBondContact O-N 3.1Å; L107-P109 VanDerWaalsContact C-CD 3.5Å; L107-R110 CarbonylContact O-C 3.53Å; L107-R110 PolarHBondContact O-N 3.29Å; L107-L111 HydrophobicContact CD2-CB 4.29Å; L107-L111 HydrophobicContact CD2-CD1 4.4Å; L107-L111 HydrophobicContact CD2-CD2 4.03Å; L107-L111 HydrophobicContact CD2-CG 4.47Å; L107-L111 WeakPolarHBondContact O-CB 3.37Å; L107-L111 PolarHBondContact O-N 3.35Å; L107-L125 HydrophobicContact CD2-CD2 4.1Å; L107-F286 HydrophobicContact CD1-CE2 4.41Å; L107-F286 HydrophobicContact CD1-CZ 3.81Å; L107-W289 HydrophobicContact CD1-CZ3 4.36Å; L107-L290 HydrophobicContact CD1-CD1 3.79Å
108L96.1Very high93.9Very high91 Ų9152.8 Ų52.848%0.47627%0.273SS..THydrogen-bonded Turntrans-60.9-38.6-169.9-72.6170.6000113.6A103 R110 L111 L125A103-L108 WeakPolarHBondContact O-CB 3.37Å; A103-L108 WeakPolarHBondContact O-CG 3.16Å; A103-L108 PolarHBondContact O-N 3.38Å; L108-R110 PolarHBondContact O-N 3.18Å; L108-L111 HydrophobicContact CD2-CD2 4.08Å; L108-L111 PolarHBondContact O-N 2.98Å; L108-L125 HydrophobicContact CD1-CD2 4.4Å; L108-L125 HydrophobicContact CD2-CD2 3.92Å; L108-L125 HydrophobicContact CG-CD2 4.23Å
109P94.6Very high93.7Very high81 Ų8157.9 Ų57.953%0.52631%0.305SS..THydrogen-bonded Turntrans-62.1-22.6175.9-25.836.7000114.6K104 L107K104-P109 WeakPolarHBondContact O-CD 3.4Å; K104-P109 WeakPolarHBondContact O-CG 3.4Å; L107-P109 VanDerWaalsContact C-CD 3.5Å
110R95.8Very high93.5Very high76 Ų7658.6 Ų58.629%0.28732%0.316SS..THydrogen-bonded Turntrans-108.6-14.2-177.2-63.7-68.9-129.7151.28.2113.1L107 L108 S112 E113 W289 V293 E296L107-R110 CarbonylContact O-C 3.53Å; L107-R110 PolarHBondContact O-N 3.29Å; L108-R110 PolarHBondContact O-N 3.18Å; R110-S112 PolarHBondContact O-N 3.13Å; R110-S112 VanDerWaalsContact O-N 3.13Å; R110-E113 WeakPolarHBondContact CD-OE1 3.4Å; R110-E113 IonicContact CZ-OE1 3.78Å; R110-E113 IonicContact CZ-OE2 2.89Å; R110-E113 IonicContact NE-OE1 3.61Å; R110-E113 IonicContact NH1-OE1 3.36Å; R110-E113 PolarHBondContact NH1-OE1 3Å; R110-E113 IonicContact NH1-OE2 3.9Å; R110-E113 PolarHBondContact NH1-OE2 2.92Å; R110-E113 VanDerWaalsContact O-CB 3.3Å; R110-E113 WeakPolarHBondContact O-CB 3.44Å; R110-E113 PolarHBondContact O-N 3.37Å; R110-W289 HydrophobicContact CB-CH2 4.46Å; R110-W289 HydrophobicContact CB-CZ2 3.93Å; R110-W289 WeakPolarHBondContact O-CZ2 3.39Å; R110-V293 HydrophobicContact CB-CG1 4.32Å; R110-V293 HydrophobicContact CB-CG2 4.23Å; R110-V293 HydrophobicContact CG-CG1 4.13Å; R110-E296 IonicContact CZ-OE2 3.72Å; R110-E296 IonicContact NH2-OE1 2.74Å; R110-E296 PolarHBondContact NH2-OE1 3.09Å; R110-E296 IonicContact NH2-OE2 3.67Å; R110-E296 PolarHBondContact NH2-OE2 3.16Å
111L96.8Very high93.4Very high19 Ų1957.5 Ų57.510%0.09931%0.308CS..Hα-helixtrans-58.1-31.9-170.2-178.762.7000113.7L107 L108 E113 F114 L115 L123 F286 W289L107-L111 HydrophobicContact CD2-CB 4.29Å; L107-L111 HydrophobicContact CD2-CD1 4.4Å; L107-L111 HydrophobicContact CD2-CD2 4.03Å; L107-L111 HydrophobicContact CD2-CG 4.47Å; L107-L111 WeakPolarHBondContact O-CB 3.37Å; L107-L111 PolarHBondContact O-N 3.35Å; L108-L111 HydrophobicContact CD2-CD2 4.08Å; L108-L111 PolarHBondContact O-N 2.98Å; L111-E113 PolarHBondContact O-N 3.46Å; L111-F114 PolarHBondContact O-N 3.19Å; L111-L115 HydrophobicContact CD1-CD1 4.46Å; L111-L115 HydrophobicContact CD1-CG 4.3Å; L111-L115 HydrophobicContact CD2-CD1 4.27Å; L111-L115 HydrophobicContact CG-CD1 3.95Å; L111-L115 HydrophobicContact CG-CG 4.23Å; L111-L115 PolarHBondContact O-N 3.42Å; L111-L115 VanDerWaalsContact O-N 3.09Å; L111-L123 HydrophobicContact CD1-CD1 4.1Å; L111-L123 HydrophobicContact CD2-CD2 4.43Å; L111-F286 HydrophobicContact CD1-CE2 4.46Å; L111-W289 HydrophobicContact CB-CH2 4.41Å; L111-W289 HydrophobicContact CD1-CH2 4.1Å; L111-W289 HydrophobicContact CD1-CZ3 4.25Å
112S95.9Very high93.5Very high82 Ų8261.8 Ų61.857%0.57332%0.322SS*.Hα-helixtrans-58.6-33.4176.151.90000112.8R110 L115 Y116R110-S112 PolarHBondContact O-N 3.13Å; R110-S112 VanDerWaalsContact O-N 3.13Å; S112-L115 PolarHBondContact O-N 2.9Å; S112-Y116 VanDerWaalsContact O-CB 3.24Å; S112-Y116 WeakPolarHBondContact O-CB 3.28Å; S112-Y116 PolarHBondContact O-N 3.19Å
113E95Very high93.7Very high83 Ų8363.3 Ų63.339%0.38833%0.33SS..Hα-helixtrans-64.1-42.4177.8-60.3171.9-164.700111.1R110 L111 L117R110-E113 WeakPolarHBondContact CD-OE1 3.4Å; R110-E113 IonicContact CZ-OE1 3.78Å; R110-E113 IonicContact CZ-OE2 2.89Å; R110-E113 IonicContact NE-OE1 3.61Å; R110-E113 IonicContact NH1-OE1 3.36Å; R110-E113 PolarHBondContact NH1-OE1 3Å; R110-E113 IonicContact NH1-OE2 3.9Å; R110-E113 PolarHBondContact NH1-OE2 2.92Å; R110-E113 VanDerWaalsContact O-CB 3.3Å; R110-E113 WeakPolarHBondContact O-CB 3.44Å; R110-E113 PolarHBondContact O-N 3.37Å; L111-E113 PolarHBondContact O-N 3.46Å; E113-L117 WeakPolarHBondContact O-CG 3.4Å; E113-L117 PolarHBondContact O-N 2.84Å
114F95.5Very high93.7Very high2 Ų266.9 Ų66.91%0.00935%0.346CS..Hα-helixtrans-67.8-47.4177.2-179.2-97000112.1L111 Y116 L117 H118 I121 F286 W289L111-F114 PolarHBondContact O-N 3.19Å; F114-Y116 VanDerWaalsContact C-N 3.28Å; F114-Y116 PolarHBondContact O-N 2.82Å; F114-L117 PolarHBondContact O-N 2.93Å; F114-L117 VanDerWaalsContact O-N 3.16Å; F114-H118 AromaticContact CD2-CD2 3.83Å; F114-H118 AromaticContact CE2-CD2 3.45Å; F114-H118 VanDerWaalsContact CE2-CD2 3.45Å; F114-H118 WeakPolarHBondContact CE2-CD2 3.44Å; F114-H118 AromaticContact CZ-CD2 3.72Å; F114-H118 PolarHBondContact O-N 2.98Å; F114-I121 HydrophobicContact CE1-CD1 3.9Å; F114-I121 HydrophobicContact CE1-CG2 4.22Å; F114-I121 HydrophobicContact CZ-CD1 3.77Å; F114-F286 HydrophobicContact CD1-CD2 4.01Å; F114-F286 HydrophobicContact CD2-CD2 4.45Å; F114-F286 HydrophobicContact CE1-CB 4.39Å; F114-F286 AromaticContact CE1-CD2 3.68Å; F114-F286 HydrophobicContact CE1-CD2 3.68Å; F114-F286 HydrophobicContact CE2-CB 4.13Å; F114-F286 HydrophobicContact CE2-CD2 4.14Å; F114-F286 HydrophobicContact CG-CD2 4.39Å; F114-F286 HydrophobicContact CZ-CB 3.72Å; F114-F286 AromaticContact CZ-CD2 3.75Å; F114-F286 HydrophobicContact CZ-CD2 3.75Å; F114-F286 HydrophobicContact CZ-CG 4.24Å; F114-W289 HydrophobicContact CB-CD2 3.71Å; F114-W289 HydrophobicContact CB-CE3 4.03Å; F114-W289 HydrophobicContact CB-CG 4.22Å; F114-W289 HydrophobicContact CB-CH2 4.16Å; F114-W289 HydrophobicContact CB-CZ2 3.83Å; F114-W289 HydrophobicContact CB-CZ3 4.25Å; F114-W289 HydrophobicContact CD2-CB 3.74Å; F114-W289 AromaticContact CD2-CD2 3.69Å; F114-W289 HydrophobicContact CD2-CD2 3.69Å; F114-W289 AromaticContact CD2-CE3 3.98Å; F114-W289 HydrophobicContact CD2-CE3 3.98Å; F114-W289 AromaticContact CD2-CG 3.56Å; F114-W289 HydrophobicContact CD2-CG 3.56Å; F114-W289 HydrophobicContact CE2-CB 4.11Å; F114-W289 HydrophobicContact CE2-CG 4.4Å; F114-W289 AromaticContact CG-CD2 3.95Å; F114-W289 HydrophobicContact CG-CD2 3.95Å; F114-W289 HydrophobicContact CG-CE3 4.04Å; F114-W289 HydrophobicContact CG-CG 4.27Å
115L95Very high93.9Very high62 Ų6263 Ų6333%0.32533%0.332SS..Hα-helixtrans-68.3-28.6-178.3-65.5177.2000112.3L111 S112 H118 P119L111-L115 HydrophobicContact CD1-CD1 4.46Å; L111-L115 HydrophobicContact CD1-CG 4.3Å; L111-L115 HydrophobicContact CD2-CD1 4.27Å; L111-L115 HydrophobicContact CG-CD1 3.95Å; L111-L115 HydrophobicContact CG-CG 4.23Å; L111-L115 PolarHBondContact O-N 3.42Å; L111-L115 VanDerWaalsContact O-N 3.09Å; S112-L115 PolarHBondContact O-N 2.9Å; L115-H118 CarbonylContact O-C 3.6Å; L115-H118 VanDerWaalsContact O-C 3.32Å; L115-H118 PolarHBondContact O-N 2.8Å; L115-P119 WeakPolarHBondContact O-CA 3.22Å
116Y93.1Very high94.1Very high198 Ų19862.3 Ų62.378%0.77633%0.327SS*.Hα-helixtrans-64.9-40.9171.3179.5-96.5000112.1S112 F114S112-Y116 VanDerWaalsContact O-CB 3.24Å; S112-Y116 WeakPolarHBondContact O-CB 3.28Å; S112-Y116 PolarHBondContact O-N 3.19Å; F114-Y116 VanDerWaalsContact C-N 3.28Å; F114-Y116 PolarHBondContact O-N 2.82Å
117L91.4Very high94.2Very high116 Ų11664.3 Ų64.361%0.60734%0.341SS*.Hα-helixtrans-74.4-25.7177.7-67.6172.8000113.1E113 F114E113-L117 WeakPolarHBondContact O-CG 3.4Å; E113-L117 PolarHBondContact O-N 2.84Å; F114-L117 PolarHBondContact O-N 2.93Å; F114-L117 VanDerWaalsContact O-N 3.16Å
118H91.7Very high94Very high38 Ų3867.9 Ų67.918%0.17636%0.358CS..  trans-13269.6-176.5-57.1-60.3000111.9F114 L115 G120 I121F114-H118 AromaticContact CD2-CD2 3.83Å; F114-H118 AromaticContact CE2-CD2 3.45Å; F114-H118 VanDerWaalsContact CE2-CD2 3.45Å; F114-H118 WeakPolarHBondContact CE2-CD2 3.44Å; F114-H118 AromaticContact CZ-CD2 3.72Å; F114-H118 PolarHBondContact O-N 2.98Å; L115-H118 CarbonylContact O-C 3.6Å; L115-H118 VanDerWaalsContact O-C 3.32Å; L115-H118 PolarHBondContact O-N 2.8Å; H118-G120 PolarHBondContact O-N 2.89Å; H118-G120 VanDerWaalsContact O-N 3.16Å; H118-I121 HydrophobicContact CB-CB 4.39Å; H118-I121 HydrophobicContact CB-CD1 3.61Å; H118-I121 HydrophobicContact CB-CG1 3.96Å; H118-I121 PolarHBondContact O-N 3.09Å; H118-I121 VanDerWaalsContact O-N 3.07Å
119P90.2Very high93.7Very high107 Ų10765.3 Ų65.370%0.69535%0.345SS*.THydrogen-bonded Turntrans-67.2-17.7-172.526.8-36000114.4L115 I121L115-P119 WeakPolarHBondContact O-CA 3.22Å; P119-I121 VanDerWaalsContact C-N 3.29Å
120G89.7Confident93.4Very high31 Ų3168.8 Ų68.832%0.3235%0.347SS..EExtended strand (participates in β ladder)trans-79.5-9.1175.200000114.2S91 G92 H118S91-G120 WeakPolarHBondContact CA-O 3.3Å; S91-G120 WeakPolarHBondContact CB-O 3.17Å; G92-G120 PolarHBondContact N-O 2.69Å; H118-G120 PolarHBondContact O-N 2.89Å; H118-G120 VanDerWaalsContact O-N 3.16Å
121I92.3Very high92.8Very high10 Ų1069.1 Ų69.15%0.05136%0.359CS..EExtended strand (participates in β ladder)trans-87.7125.7-179.3-64.5-178.7000110I90 G92 L94 F114 H118 P119 R282I90-I121 HydrophobicContact CG2-CD1 4.01Å; I90-I121 HydrophobicContact CG2-CG1 4.27Å; G92-I121 WeakPolarHBondContact O-CA 3.25Å; L94-I121 HydrophobicContact CB-CG2 4.43Å; L94-I121 HydrophobicContact CD1-CD1 4.38Å; L94-I121 HydrophobicContact CD1-CG2 3.74Å; L94-I121 HydrophobicContact CG-CG2 4.04Å; F114-I121 HydrophobicContact CE1-CD1 3.9Å; F114-I121 HydrophobicContact CE1-CG2 4.22Å; F114-I121 HydrophobicContact CZ-CD1 3.77Å; H118-I121 HydrophobicContact CB-CB 4.39Å; H118-I121 HydrophobicContact CB-CD1 3.61Å; H118-I121 HydrophobicContact CB-CG1 3.96Å; H118-I121 PolarHBondContact O-N 3.09Å; H118-I121 VanDerWaalsContact O-N 3.07Å; P119-I121 VanDerWaalsContact C-N 3.29Å; I121-R282 HydrophobicContact CD1-CB 4Å; I121-R282 HydrophobicContact CG1-CB 4.49Å
122E93Very high92.3Very high112 Ų11269 Ų6952%0.52336%0.36SS..EExtended strand (participates in β ladder)trans-100134.3167.1-73179.1-156.500109.5G92 K93 L94G92-E122 PolarHBondContact O-N 3.06Å; K93-E122 CarbonylContact C-O 3.48Å; K93-E122 VanDerWaalsContact CA-O 3.27Å; K93-E122 WeakPolarHBondContact CA-O 3.37Å; K93-E122 VanDerWaalsContact CE-OE2 3.29Å; K93-E122 WeakPolarHBondContact CE-OE2 3.42Å; K93-E122 HydrophobicContact CG-CB 4.01Å; K93-E122 IonicContact NZ-OE2 3.92Å; K93-E122 PolarHBondContact NZ-OE2 3.33Å; L94-E122 PolarHBondContact N-O 2.91Å
123L95.4Very high91.9Very high41 Ų4169.2 Ų69.222%0.21535%0.354CS..EExtended strand (participates in β ladder)trans-117123.9-176.4-169.3140.4000111.6L94 I96 L111 L125 F286L94-L123 CarbonylContact O-C 3.52Å; L94-L123 WeakPolarHBondContact O-CA 3.37Å; I96-L123 HydrophobicContact CD1-CD1 3.97Å; I96-L123 HydrophobicContact CD1-CD2 3.91Å; I96-L123 HydrophobicContact CD1-CG 4.22Å; I96-L123 HydrophobicContact CG1-CD2 4.18Å; I96-L123 HydrophobicContact CG1-CG 4.47Å; L111-L123 HydrophobicContact CD1-CD1 4.1Å; L111-L123 HydrophobicContact CD2-CD2 4.43Å; L123-L125 HydrophobicContact CD2-CB 3.78Å; L123-F286 HydrophobicContact CD1-CD2 4.02Å; L123-F286 HydrophobicContact CD1-CE2 3.48Å; L123-F286 VanDerWaalsContact CD1-CE2 3.48Å; L123-F286 HydrophobicContact CD1-CZ 3.93Å
124E95.6Very high91.5Very high78 Ų7865.5 Ų65.536%0.36434%0.337SS..EExtended strand (participates in β ladder)trans-98.5105.7168.6-70.9-176.9-168.500108.7L94 R95 I96L94-E124 PolarHBondContact O-N 2.61Å; R95-E124 WeakPolarHBondContact CA-O 3.41Å; R95-E124 HydrophobicContact CB-CB 4.26Å; R95-E124 HydrophobicContact CG-CB 4.05Å; R95-E124 IonicContact CZ-OE2 2.83Å; R95-E124 IonicContact NH1-OE2 3.85Å; R95-E124 PolarHBondContact NH1-OE2 3.48Å; I96-E124 PolarHBondContact N-O 3.32Å
125L96.8Very high90.9Very high59 Ų5968.5 Ų68.531%0.30935%0.353SS..EExtended strand (participates in β ladder)trans-95.4122.8176.3175.662.9000110.7I96 I98 A103 L107 L108 L123I96-L125 HydrophobicContact CD1-CD1 3.92Å; I96-L125 HydrophobicContact CG1-CB 4.49Å; I96-L125 HydrophobicContact CG1-CD1 3.79Å; I98-L125 HydrophobicContact CB-CD1 4.25Å; I98-L125 HydrophobicContact CG1-CD1 4.26Å; A103-L125 HydrophobicContact CB-CD2 4.39Å; L107-L125 HydrophobicContact CD2-CD2 4.1Å; L108-L125 HydrophobicContact CD1-CD2 4.4Å; L108-L125 HydrophobicContact CD2-CD2 3.92Å; L108-L125 HydrophobicContact CG-CD2 4.23Å; L123-L125 HydrophobicContact CD2-CB 3.78Å
126S95.4Very high90.2Very high20 Ų2071.2 Ų71.214%0.1436%0.363CS..EExtended strand (participates in β ladder)trans-102.7147.3165.2171.30000110I96 D97 I98 H128I96-S126 WeakPolarHBondContact O-CB 3.4Å; I96-S126 PolarHBondContact O-N 3.34Å; D97-S126 VanDerWaalsContact CA-O 3.28Å; D97-S126 WeakPolarHBondContact CA-O 3.21Å; D97-S126 VanDerWaalsContact OD1-CB 3.3Å; D97-S126 WeakPolarHBondContact OD1-CB 3.42Å; D97-S126 PolarHBondContact OD1-OG 2.88Å; I98-S126 PolarHBondContact N-O 2.92Å; S126-H128 PolarHBondContact OG-CE1 3.04Å; S126-H128 PolarHBondContact OG-ND1 3.35Å
127S94.9Very high89.7Confident44 Ų4464.3 Ų64.331%0.30834%0.34SS..  trans-142.4109.5174.5-69.10000111.3I98I98-S127 VanDerWaalsContact O-CA 3.23Å; I98-S127 WeakPolarHBondContact O-CA 3.3Å; I98-S127 VanDerWaalsContact O-CB 3.25Å; I98-S127 WeakPolarHBondContact O-CB 3.39Å; I98-S127 PolarHBondContact O-OG 3.2Å
128H90Very high89.4Confident76 Ų7659.1 Ų59.135%0.35232%0.315SS..  trans-132.5145.2176.2-5988.5000110.7D97 S126 R130 V132D97-H128 IonicContact OD1-ND1 3.78Å; D97-H128 PolarHBondContact OD1-ND1 2.72Å; S126-H128 PolarHBondContact OG-CE1 3.04Å; S126-H128 PolarHBondContact OG-ND1 3.35Å; H128-R130 VanDerWaalsContact C-N 3.35Å; H128-R130 HydrophobicContact CB-CG 4.09Å; H128-V132 HydrophobicContact CB-CG1 4.24Å
129D89.8Confident89.4Confident36 Ų3657.5 Ų57.519%0.19331%0.307CS..SBendtrans-77.5-24.6171.5-78-62000112.1Y192 N223 S224 S225D129-Y192 VanDerWaalsContact CB-OH 3.29Å; D129-Y192 WeakPolarHBondContact CB-OH 3.24Å; D129-Y192 PolarHBondContact OD1-OH 3.18Å; D129-N223 WeakPolarHBondContact CB-O 3.33Å; D129-S224 VanDerWaalsContact OD2-CA 3.27Å; D129-S224 WeakPolarHBondContact OD2-CA 3.42Å; D129-S225 WeakPolarHBondContact OD1-CB 3.4Å; D129-S225 PolarHBondContact OD1-N 2.84Å; D129-S225 PolarHBondContact OD1-OG 3.44Å; D129-S225 PolarHBondContact OD2-N 3.35Å; D129-S225 PolarHBondContact OD2-OG 3.31Å
130R87.7Confident89.5Confident154 Ų15452.8 Ų52.858%0.58128%0.276SS*.SBendtrans-82.615217266.6174.4-177150.62.8111.1H128 V132H128-R130 VanDerWaalsContact C-N 3.35Å; H128-R130 HydrophobicContact CB-CG 4.09Å; R130-V132 PolarHBondContact O-N 2.94Å
131P84.3Confident89.7Confident83 Ų8351.3 Ų51.354%0.53926%0.261SS..PPolyproline II helixtrans-57137.2165.3-22.133.4000111.5
132V86.6Confident89.8Confident18 Ų1850.9 Ų50.911%0.10926%0.259CS..PPolyproline II helixtrans-102.8153.8167.6-58.70000110.1D97 H128 R130 I134 F139 R144D97-V132 HydrophobicContact CB-CG2 3.77Å; H128-V132 HydrophobicContact CB-CG1 4.24Å; R130-V132 PolarHBondContact O-N 2.94Å; V132-I134 PolarHBondContact O-N 3.44Å; V132-F139 HydrophobicContact CB-CD2 4.47Å; V132-F139 HydrophobicContact CB-CE2 3.9Å; V132-F139 HydrophobicContact CG1-CE2 4.48Å; V132-F139 HydrophobicContact CG2-CD2 3.7Å; V132-F139 HydrophobicContact CG2-CE2 3.43Å; V132-F139 VanDerWaalsContact CG2-CE2 3.43Å; V132-F139 HydrophobicContact CG2-CZ 4.08Å; V132-R144 PolarHBondContact O-NH2 3.45Å
133D85.9Confident89.9Confident85 Ų8545.6 Ų45.646%0.45523%0.234SC..  trans-79.8100.7176.3-173.2-27.9000109L135 H136 D137D133-L135 PolarHBondContact O-N 2.93Å; D133-L135 PolarHBondContact OD1-N 3.44Å; D133-H136 HydrophobicContact CB-CB 3.97Å; D133-H136 PolarHBondContact OD1-N 3.34Å; D133-H136 VanDerWaalsContact OD2-CB 3.25Å; D133-H136 WeakPolarHBondContact OD2-CB 3.39Å; D133-D137 PolarHBondContact N-OD2 3.04Å; D133-D137 WeakPolarHBondContact O-CB 3.43Å; D133-D137 PolarHBondContact O-N 3.2Å
134I87.6Confident89.7Confident5 Ų544.4 Ų44.43%0.02623%0.227CC..THydrogen-bonded Turntrans-59.1-39-174.9-55.9168.7000110.6V132 F139 V142 P149 V153 V272 P274V132-I134 PolarHBondContact O-N 3.44Å; I134-F139 HydrophobicContact CG2-CB 4.09Å; I134-F139 PolarHBondContact O-N 2.88Å; I134-F139 VanDerWaalsContact O-N 3.09Å; I134-V142 HydrophobicContact CD1-CG2 3.43Å; I134-V142 VanDerWaalsContact CD1-CG2 3.43Å; I134-V142 HydrophobicContact CG1-CG1 4.03Å; I134-V142 HydrophobicContact CG1-CG2 3.78Å; I134-V142 HydrophobicContact CG2-CG1 4.42Å; I134-P149 HydrophobicContact CD1-CG 4.38Å; I134-V153 HydrophobicContact CB-CG1 4.33Å; I134-V153 HydrophobicContact CD1-CG1 4.09Å; I134-V153 HydrophobicContact CG2-CG1 4.45Å; I134-V272 HydrophobicContact CD1-CB 4.03Å; I134-V272 HydrophobicContact CD1-CG1 3.5Å; I134-V272 VanDerWaalsContact CD1-CG1 3.5Å; I134-P274 HydrophobicContact CG2-CG 4Å
135L83.4Confident89.4Confident66 Ų6643.4 Ų43.435%0.34623%0.226SC..THydrogen-bonded Turntrans-78.9-53.2-175.1-62.3179.2000110.3R68 D133 G138 V153 P274R68-L135 PolarHBondContact NH2-O 3.31Å; D133-L135 PolarHBondContact O-N 2.93Å; D133-L135 PolarHBondContact OD1-N 3.44Å; L135-G138 PolarHBondContact O-N 2.82Å; L135-V153 HydrophobicContact CD2-CG1 4.33Å; L135-V153 HydrophobicContact CG-CG1 4.37Å; L135-P274 HydrophobicContact CD2-CB 3.78Å; L135-P274 HydrophobicContact CD2-CG 4.09Å
136H79.6Confident88.8Confident118 Ų11842.1 Ų42.155%0.54623%0.227SC..THydrogen-bonded Turntrans-67.7-40.4-176.3-177.6-86.8000112.4D133 G138D133-H136 HydrophobicContact CB-CB 3.97Å; D133-H136 PolarHBondContact OD1-N 3.34Å; D133-H136 VanDerWaalsContact OD2-CB 3.25Å; D133-H136 WeakPolarHBondContact OD2-CB 3.39Å; H136-G138 PolarHBondContact O-N 3.43Å
137D83.3Confident87.7Confident53 Ų5345.9 Ų45.928%0.28326%0.259SS..THydrogen-bonded Turntrans-83.90.9-175.8-58.9-28.4000113.2R95 D133 F139R95-D137 PolarHBondContact NE-O 3.05Å; D133-D137 PolarHBondContact N-OD2 3.04Å; D133-D137 WeakPolarHBondContact O-CB 3.43Å; D133-D137 PolarHBondContact O-N 3.2Å; D137-F139 HydrophobicContact CB-CD2 3.64Å; D137-F139 HydrophobicContact CB-CE2 3.41Å; D137-F139 VanDerWaalsContact CB-CE2 3.41Å; D137-F139 HydrophobicContact CB-CZ 4.47Å
138G84.3Confident86.6Confident8 Ų847.2 Ų47.28%0.08226%0.263CS..THydrogen-bonded Turntrans71.133.5173.600000113.9L135 H136L135-G138 PolarHBondContact O-N 2.82Å; H136-G138 PolarHBondContact O-N 3.43Å
139F90.8Very high85.5Confident4 Ų446.5 Ų46.52%0.01827%0.265CS..  trans-77.2134.5175.4-71.1-74.8000111.1R95 I96 D97 V132 I134 D137 V142 P274R95-F139 HydrophobicContact CG-CD1 3.72Å; R95-F139 HydrophobicContact CG-CE1 3.79Å; I96-F139 VanDerWaalsContact C-CD1 3.49Å; I96-F139 WeakPolarHBondContact O-CE1 3.44Å; D97-F139 HydrophobicContact CB-CD1 3.99Å; D97-F139 HydrophobicContact CB-CE1 3.78Å; D97-F139 HydrophobicContact CB-CG 4.49Å; D97-F139 HydrophobicContact CB-CZ 4.06Å; V132-F139 HydrophobicContact CB-CD2 4.47Å; V132-F139 HydrophobicContact CB-CE2 3.9Å; V132-F139 HydrophobicContact CG1-CE2 4.48Å; V132-F139 HydrophobicContact CG2-CD2 3.7Å; V132-F139 HydrophobicContact CG2-CE2 3.43Å; V132-F139 VanDerWaalsContact CG2-CE2 3.43Å; V132-F139 HydrophobicContact CG2-CZ 4.08Å; I134-F139 HydrophobicContact CG2-CB 4.09Å; I134-F139 PolarHBondContact O-N 2.88Å; I134-F139 VanDerWaalsContact O-N 3.09Å; D137-F139 HydrophobicContact CB-CD2 3.64Å; D137-F139 HydrophobicContact CB-CE2 3.41Å; D137-F139 VanDerWaalsContact CB-CE2 3.41Å; D137-F139 HydrophobicContact CB-CZ 4.47Å; F139-V142 HydrophobicContact CB-CG1 3.74Å; F139-V142 HydrophobicContact CD1-CG1 4.36Å; F139-V142 HydrophobicContact CG-CG1 3.98Å; F139-P274 WeakPolarHBondContact O-CG 3.46Å
140D92.2Very high84.4Confident7 Ų753.4 Ų53.44%0.03730%0.296CS..SBendtrans-77.9-43176.6-69.8-60.3000111.7L94 R95 Y273 P274 V283L94-D140 WeakPolarHBondContact CA-OD2 3.38Å; L94-D140 HydrophobicContact CD2-CB 4.34Å; R95-D140 PolarHBondContact N-OD2 2.91Å; R95-D140 PolarHBondContact O-N 3.02Å; D140-Y273 WeakPolarHBondContact O-CB 3.41Å; D140-P274 VanDerWaalsContact O-CD 3.25Å; D140-P274 WeakPolarHBondContact O-CD 3.42Å; D140-V283 HydrophobicContact CB-CG1 4.41Å; D140-V283 HydrophobicContact CB-CG2 3.69Å
141C93.9Very high84.1Confident1 Ų152.7 Ų52.71%0.00730%0.303CS..EExtended strand (participates in β ladder)trans-155.4152.8171.466.60000110.7I96 D97 L271 V272 M287I96-C141 WeakPolarHBondContact CA-O 3.33Å; I96-C141 WeakPolarHBondContact CB-O 3.42Å; I96-C141 VanDerWaalsContact CG2-SG 3.59Å; D97-C141 PolarHBondContact N-O 3.11Å; C141-L271 HydrophobicContact CB-CD1 4.03Å; C141-V272 CarbonylContact C-O 3.54Å; C141-V272 WeakPolarHBondContact CA-O 3.25Å; C141-M287 HydrophobicContact CB-CG 3.95Å; C141-M287 HydrophobicContact CB-SD 4.04Å
142V94.7Very high84.1Confident1 Ų150.2 Ų50.21%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-135.6153.3179.5-51.60000110.7D97 I134 F139 R144 V272D97-V142 HydrophobicContact CB-CB 4.07Å; D97-V142 HydrophobicContact CB-CG1 3.64Å; D97-V142 CarbonylContact O-C 3.58Å; D97-V142 WeakPolarHBondContact O-CA 3.29Å; D97-V142 WeakPolarHBondContact O-CB 3.41Å; I134-V142 HydrophobicContact CD1-CG2 3.43Å; I134-V142 VanDerWaalsContact CD1-CG2 3.43Å; I134-V142 HydrophobicContact CG1-CG1 4.03Å; I134-V142 HydrophobicContact CG1-CG2 3.78Å; I134-V142 HydrophobicContact CG2-CG1 4.42Å; F139-V142 HydrophobicContact CB-CG1 3.74Å; F139-V142 HydrophobicContact CD1-CG1 4.36Å; F139-V142 HydrophobicContact CG-CG1 3.98Å; V142-R144 HydrophobicContact CG2-CG 4.02Å; V142-V272 HydrophobicContact CG2-CB 3.74Å; V142-V272 PolarHBondContact N-O 3.46Å; V142-V272 PolarHBondContact O-N 2.95Å
143I94.7Very high84.2Confident0 Ų050.2 Ų50.20%029%0.293CS..EExtended strand (participates in β ladder)trans-98.8134.1168.1-63.1-65.3000108.3D97 I98 P99 I102 L158 L269 S270 L271 L290 M294D97-I143 PolarHBondContact O-N 2.99Å; I98-I143 HydrophobicContact CB-CB 4.35Å; I98-I143 HydrophobicContact CD1-CG1 3.89Å; I98-I143 HydrophobicContact CG1-CB 4.03Å; I98-I143 HydrophobicContact CG1-CG1 3.81Å; I98-I143 HydrophobicContact CG2-CB 4.11Å; I98-I143 HydrophobicContact CG2-CG1 4.35Å; P99-I143 VanDerWaalsContact CD-O 3.31Å; P99-I143 WeakPolarHBondContact CD-O 3.23Å; I102-I143 HydrophobicContact CG2-CG2 4.5Å; I143-L158 HydrophobicContact CD1-CD1 3.6Å; I143-L269 HydrophobicContact CG2-CD1 3.42Å; I143-L269 VanDerWaalsContact CG2-CD1 3.42Å; I143-L269 HydrophobicContact CG2-CD2 4.17Å; I143-L269 HydrophobicContact CG2-CG 3.84Å; I143-S270 CarbonylContact C-O 3.59Å; I143-S270 WeakPolarHBondContact CA-O 3.31Å; I143-L271 HydrophobicContact CD1-CB 4.2Å; I143-L271 HydrophobicContact CD1-CD1 3.77Å; I143-L290 HydrophobicContact CD1-CD2 3.77Å; I143-L290 HydrophobicContact CD1-CG 4.36Å; I143-L290 HydrophobicContact CG1-CD2 3.84Å; I143-M294 HydrophobicContact CD1-CE 4.46Å; I143-M294 HydrophobicContact CG1-CE 4.25Å
144R91.9Very high84.4Confident17 Ų1749.1 Ų49.16%0.06429%0.287CS..EExtended strand (participates in β ladder)trans-127.6143.6178.8-70.4-62.7-172-136.2-12.3111.4D97 V132 V142 L269 S270 V272D97-R144 IonicContact OD2-CZ 2.87Å; D97-R144 IonicContact OD2-NH1 3.97Å; D97-R144 PolarHBondContact OD2-NH1 3.29Å; D97-R144 IonicContact OD2-NH2 2.76Å; V132-R144 PolarHBondContact O-NH2 3.45Å; V142-R144 HydrophobicContact CG2-CG 4.02Å; R144-L269 CarbonylContact O-C 3.5Å; R144-L269 WeakPolarHBondContact O-CA 3.34Å; R144-S270 PolarHBondContact N-O 2.89Å; R144-S270 PolarHBondContact O-N 3.27Å; R144-V272 HydrophobicContact CB-CG2 4.05Å; R144-V272 HydrophobicContact CG-CB 4.5Å; R144-V272 HydrophobicContact CG-CG2 3.85Å
145T89.8Confident84.6Confident56 Ų5650.4 Ų50.434%0.34430%0.298SS..EExtended strand (participates in β ladder)trans-106.4138.9166.8530000109.9P99 L161 S268 L269P99-T145 HydrophobicContact CG-CG2 4.47Å; T145-L161 HydrophobicContact CG2-CD1 4.11Å; T145-S268 CarbonylContact C-O 3.49Å; T145-S268 WeakPolarHBondContact CA-O 3.36Å; T145-L269 HydrophobicContact CG2-CD1 3.57Å
146G84.5Confident85Confident32 Ų3253.4 Ų53.433%0.3331%0.305SS..SBendtrans81.6-143175.500000113.7S268G146-S268 PolarHBondContact N-O 3.47Å
147A72.1Confident85.6Confident99 Ų9952.5 Ų52.582%0.81831%0.31SS*.SBendtrans-62143.6-17300000112.6
148L72.3Confident86.1Confident73 Ų7351.4 Ų51.438%0.38230%0.304SS..PPolyproline II helixtrans-98.2145.2-175.4-64.8169.3000110.7A155 V272L148-A155 HydrophobicContact CB-CB 4.23Å; L148-A155 HydrophobicContact CD1-CB 3.46Å; L148-A155 VanDerWaalsContact CD1-CB 3.46Å; L148-A155 HydrophobicContact CD2-CB 3.59Å; L148-A155 HydrophobicContact CG-CB 3.93Å; L148-V272 HydrophobicContact CD2-CG2 3.88Å
149P66Low86.6Confident60 Ų6052.2 Ų52.239%0.3931%0.312SS..PPolyproline II helixtrans-67.3145.1168.8-520.4000110I134 V153I134-P149 HydrophobicContact CD1-CG 4.38Å; P149-V153 HydrophobicContact CB-CG2 3.91Å; P149-V153 HydrophobicContact CG-CG2 4.18Å
150E68Low86.8Confident181 Ų18156.8 Ų56.885%0.84633%0.332SS*.  trans-92.1-31.6-173.3-63.3-174.2169.700113.4
151D80.5Confident86.9Confident139 Ų13956.8 Ų56.874%0.74333%0.331SS*.SBendtrans-107.4131.4-167.5-69.2-28.6000114.7V153D151-V153 PolarHBondContact O-N 3.3Å; D151-V153 VanDerWaalsContact O-N 3.15Å
152G83.2Confident86.9Confident32 Ų3258.3 Ų58.333%0.3334%0.341SS..SBendtrans68.910.616900000115.4Q275G152-Q275 WeakPolarHBondContact O-CB 3.37Å; G152-Q275 PolarHBondContact O-N 3.06Å
153V89.1Confident86.9Confident18 Ų1859 Ų5911%0.10934%0.344CS..EExtended strand (participates in β ladder)trans-129.3152.1179.3-61.70000111.1I134 L135 P149 D151 V272 Y273I134-V153 HydrophobicContact CB-CG1 4.33Å; I134-V153 HydrophobicContact CD1-CG1 4.09Å; I134-V153 HydrophobicContact CG2-CG1 4.45Å; L135-V153 HydrophobicContact CD2-CG1 4.33Å; L135-V153 HydrophobicContact CG-CG1 4.37Å; P149-V153 HydrophobicContact CB-CG2 3.91Å; P149-V153 HydrophobicContact CG-CG2 4.18Å; D151-V153 PolarHBondContact O-N 3.3Å; D151-V153 VanDerWaalsContact O-N 3.15Å; V153-V272 HydrophobicContact CB-CG1 3.8Å; V153-V272 HydrophobicContact CG1-CG1 4.47Å; V153-V272 HydrophobicContact CG2-CG1 3.79Å; V153-Y273 CarbonylContact C-O 3.56Å; V153-Y273 VanDerWaalsContact CA-O 3.3Å; V153-Y273 WeakPolarHBondContact CA-O 3.2Å; V153-Y273 WeakPolarHBondContact CB-O 3.42Å
154I89.8Confident87.1Confident61 Ų6159 Ų5931%0.31334%0.344SS..EExtended strand (participates in β ladder)trans-104.8128.2169.9-63.4166.1000107.6V272 Y273 Q275I154-V272 VanDerWaalsContact O-CA 3.28Å; I154-V272 WeakPolarHBondContact O-CA 3.25Å; I154-Y273 HydrophobicContact CB-CD2 4.22Å; I154-Y273 HydrophobicContact CB-CE1 4.18Å; I154-Y273 HydrophobicContact CB-CE2 3.71Å; I154-Y273 HydrophobicContact CD1-CE2 3.68Å; I154-Y273 HydrophobicContact CG1-CE2 4.24Å; I154-Y273 HydrophobicContact CG2-CE1 4.01Å; I154-Y273 HydrophobicContact CG2-CE2 4.09Å; I154-Y273 WeakPolarHBondContact CG2-OH 3.26Å; I154-Y273 PolarHBondContact N-O 2.86Å; I154-Y273 PolarHBondContact O-N 3.37Å; I154-Q275 HydrophobicContact CD1-CB 4.32Å; I154-Q275 HydrophobicContact CD1-CG 4.01Å; I154-Q275 HydrophobicContact CG1-CB 4.02Å; I154-Q275 HydrophobicContact CG1-CG 3.97Å
155A92.1Very high87.4Confident33 Ų3358.1 Ų58.127%0.27334%0.341SS..EExtended strand (participates in β ladder)trans-106.6119.5172.600000110.6L148 V272L148-A155 HydrophobicContact CB-CB 4.23Å; L148-A155 HydrophobicContact CD1-CB 3.46Å; L148-A155 VanDerWaalsContact CD1-CB 3.46Å; L148-A155 HydrophobicContact CD2-CB 3.59Å; L148-A155 HydrophobicContact CG-CB 3.93Å; A155-V272 HydrophobicContact CB-CG2 4.07Å
156R92.3Very high87.8Confident128 Ų12855.5 Ų55.548%0.48333%0.325SS..EExtended strand (participates in β ladder)trans-105.5114.3175.4179.4-179.4176.1-176.30.1109.5L158 S270 L271 Y273R156-L158 PolarHBondContact O-N 2.9Å; R156-S270 CarbonylContact O-C 3.32Å; R156-S270 WeakPolarHBondContact O-CA 3.37Å; R156-L271 HydrophobicContact CB-CB 4.44Å; R156-L271 PolarHBondContact N-O 3.04Å; R156-L271 PolarHBondContact O-N 2.91Å; R156-Y273 HydrophobicContact CB-CE1 4.46Å
157P92.9Very high88.4Confident99 Ų9954 Ų5464%0.64331%0.309SS*.EExtended strand (participates in β ladder)trans-59.3136.1173.8-22.833.6000111.4
158L93.8Very high89.7Confident31 Ų3149.4 Ų49.416%0.16227%0.271CS..EExtended strand (participates in β ladder)trans-106.7-27.3175.5-65.7-178.5000112.9I143 R156 L269 L271 A291 M294 L298I143-L158 HydrophobicContact CD1-CD1 3.6Å; R156-L158 PolarHBondContact O-N 2.9Å; L158-L269 HydrophobicContact CD1-CD2 4.26Å; L158-L269 PolarHBondContact N-O 2.83Å; L158-L271 HydrophobicContact CD1-CB 4.02Å; L158-L271 HydrophobicContact CD2-CB 4.12Å; L158-L271 HydrophobicContact CG-CB 4.06Å; L158-A291 HydrophobicContact CD2-CB 3.83Å; L158-M294 HydrophobicContact CD1-CB 4.21Å; L158-M294 HydrophobicContact CD1-CG 4Å; L158-L298 HydrophobicContact CB-CD1 3.91Å; L158-L298 WeakPolarHBondContact O-CD1 3.18Å
159G93.6Very high90.9Very high24 Ų2448.1 Ų48.125%0.24727%0.267CS..EExtended strand (participates in β ladder)trans148.9-163.5-17800000111L269G159-L269 PolarHBondContact N-O 2.96Å; G159-L269 PolarHBondContact O-N 3.39Å
160K94.5Very high92.4Very high101 Ų10151.5 Ų51.544%0.43928%0.278SS..EExtended strand (participates in β ladder)trans-123.2148.7178.7-62.4-176.2-180-172.80111.8P266 D299K160-P266 HydrophobicContact CB-CB 3.85Å; K160-P266 HydrophobicContact CD-CB 4.11Å; K160-D299 PolarHBondContact N-O 3Å; K160-D299 VanDerWaalsContact N-O 3.12Å; K160-D299 PolarHBondContact O-N 3.12Å; K160-D299 VanDerWaalsContact O-N 3.1Å
161L94.2Very high93.9Very high6 Ų643 Ų433%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-101.5117.7174.4-69.2165.9000109.4I102 T145 M163 P242 I244 P266 L267 L269 L298I102-L161 HydrophobicContact CD1-CD1 3.81Å; I102-L161 HydrophobicContact CD1-CD2 4.14Å; T145-L161 HydrophobicContact CG2-CD1 4.11Å; L161-M163 PolarHBondContact O-N 3.08Å; L161-P242 HydrophobicContact CB-CB 4.3Å; L161-P242 HydrophobicContact CD1-CB 4.48Å; L161-P242 HydrophobicContact CD1-CG 4.43Å; L161-I244 HydrophobicContact CD2-CG2 3.91Å; L161-P266 CarbonylContact O-C 3.53Å; L161-P266 VanDerWaalsContact O-CA 3.28Å; L161-P266 WeakPolarHBondContact O-CA 3.14Å; L161-L267 HydrophobicContact CB-CB 4.27Å; L161-L267 PolarHBondContact N-O 2.88Å; L161-L267 PolarHBondContact O-N 3.44Å; L161-L269 HydrophobicContact CD1-CD1 4.06Å; L161-L298 HydrophobicContact CD2-CD2 3.37Å; L161-L298 HydrophobicContact CG-CD2 3.75Å
162T94.8Very high94.7Very high33 Ų3336.6 Ų36.620%0.20220%0.203CC..PPolyproline II helixtrans-60.8125174.5-26.20000110.8P242 R243 D299T162-P242 WeakPolarHBondContact O-CA 3.45Å; T162-R243 PolarHBondContact O-N 2.98Å; T162-D299 PolarHBondContact OG1-OD2 3.13Å
163M95.7Very high95.4Very high15 Ų1540.9 Ų40.97%0.07422%0.223CC..EExtended strand (participates in β ladder)trans-83.6140.1171.5-64.6-59.2-7800110.6L161 Q240 P242 R263 A264 E265 L267L161-M163 PolarHBondContact O-N 3.08Å; M163-Q240 HydrophobicContact CE-CB 4.49Å; M163-Q240 VanDerWaalsContact CE-O 3.3Å; M163-Q240 WeakPolarHBondContact CE-O 3.46Å; M163-P242 HydrophobicContact SD-CB 4.44Å; M163-P242 HydrophobicContact SD-CG 3.77Å; M163-R263 VanDerWaalsContact O-CD 3.25Å; M163-R263 WeakPolarHBondContact O-CD 3.27Å; M163-R263 WeakPolarHBondContact O-CG 3.35Å; M163-A264 HydrophobicContact CB-CB 4Å; M163-A264 HydrophobicContact CG-CB 4.26Å; M163-E265 WeakPolarHBondContact CG-O 3.29Å; M163-L267 HydrophobicContact CE-CD1 3.99Å; M163-L267 HydrophobicContact CE-CG 4.33Å; M163-L267 HydrophobicContact CG-CG 4.18Å; M163-L267 HydrophobicContact SD-CB 4.38Å; M163-L267 HydrophobicContact SD-CD1 3.51Å; M163-L267 VanDerWaalsContact SD-CD1 3.51Å; M163-L267 HydrophobicContact SD-CG 3.61Å
164V97.5Very high95.7Very high0 Ų049 Ų490%025%0.252CS..EExtended strand (participates in β ladder)trans-131150.2173.8-66.70000110.1Q240 I241 R243 V246V164-Q240 WeakPolarHBondContact O-CA 3.43Å; V164-I241 HydrophobicContact CG2-CG2 4.47Å; V164-I241 WeakPolarHBondContact CG2-O 3.3Å; V164-I241 PolarHBondContact N-O 2.98Å; V164-I241 PolarHBondContact O-N 3.2Å; V164-R243 HydrophobicContact CG1-CB 3.84Å; V164-R243 HydrophobicContact CG1-CG 3.94Å; V164-R243 HydrophobicContact CG2-CB 4.06Å; V164-R243 HydrophobicContact CG2-CG 4.34Å; V164-V246 HydrophobicContact CG2-CG2 3.75Å
165N98Very high96Very high0 Ų050.1 Ų50.10%026%0.255CS..EExtended strand (participates in β ladder)trans-98.5132173.8-35.2-61.3000108.7F203 I238 I239 Q240 E257 V258 L259 Y262N165-F203 HydrophobicContact CB-CE2 4.12Å; N165-F203 HydrophobicContact CB-CZ 4.01Å; N165-F203 WeakPolarHBondContact OD1-CZ 3.43Å; N165-I238 HydrophobicContact CB-CG2 4.22Å; N165-I239 CarbonylContact C-O 3.45Å; N165-I239 VanDerWaalsContact CA-O 3.22Å; N165-I239 WeakPolarHBondContact CA-O 3.31Å; N165-Q240 WeakPolarHBondContact OD1-CG 3.47Å; N165-Q240 PolarHBondContact OD1-NE2 3.4Å; N165-E257 CarbonylContact O-C 3.57Å; N165-E257 WeakPolarHBondContact O-CA 3.45Å; N165-V258 HydrophobicContact CB-CG2 4.07Å; N165-V258 WeakPolarHBondContact CB-O 3.27Å; N165-V258 PolarHBondContact ND2-O 3.37Å; N165-V258 PolarHBondContact O-N 2.82Å; N165-L259 PolarHBondContact ND2-O 3.43Å; N165-L259 VanDerWaalsContact ND2-O 3.13Å; N165-Y262 PolarHBondContact ND2-O 2.92Å
166C98.3Very high96.2Very high0 Ų050 Ų500%026%0.257CS..EExtended strand (participates in β ladder)trans-137.6147.7-174.5-64.90000111.3I238 I239 L255 I256C166-I238 CarbonylContact O-C 3.57Å; C166-I238 WeakPolarHBondContact O-CA 3.34Å; C166-I239 HydrophobicContact CB-CD1 4.49Å; C166-I239 HydrophobicContact CB-CG1 4.03Å; C166-I239 PolarHBondContact N-O 3.43Å; C166-I239 WeakPolarHBondContact O-CG1 3.18Å; C166-I239 PolarHBondContact O-N 3.43Å; C166-L255 HydrophobicContact CB-CB 4.23Å; C166-L255 HydrophobicContact CB-CD1 4.19Å; C166-L255 HydrophobicContact CB-CD2 4.43Å; C166-I256 VanDerWaalsContact CA-O 3.32Å; C166-I256 WeakPolarHBondContact CA-O 3.25Å
167A98.2Very high96.4Very high0 Ų050.1 Ų50.10%026%0.258CS..EExtended strand (participates in β ladder)trans-139.4156.6167.900000110.2Y171 L172 I238 I256A167-Y171 HydrophobicContact CB-CD1 3.73Å; A167-Y171 HydrophobicContact CB-CE1 4.37Å; A167-Y171 HydrophobicContact CB-CG 4.47Å; A167-L172 HydrophobicContact CB-CD1 4.22Å; A167-L172 HydrophobicContact CB-CD2 3.9Å; A167-L172 HydrophobicContact CB-CG 3.92Å; A167-I238 HydrophobicContact CB-CG1 4.06Å; A167-I256 PolarHBondContact N-O 2.89Å; A167-I256 PolarHBondContact O-N 3.14Å
168S98.5Very high96.6Very high4 Ų445.7 Ų45.73%0.02823%0.229CC..  trans-73.1153.517475.50000111.5H170 Y171 L172 G232 L233 G235S168-H170 PolarHBondContact O-N 3.02Å; S168-Y171 WeakPolarHBondContact O-CB 3.28Å; S168-Y171 PolarHBondContact O-N 2.92Å; S168-Y171 VanDerWaalsContact O-N 3.14Å; S168-Y171 PolarHBondContact OG-N 3.12Å; S168-L172 WeakPolarHBondContact O-CG 3.22Å; S168-L172 PolarHBondContact O-N 2.91Å; S168-L172 VanDerWaalsContact O-N 3.12Å; S168-G232 WeakPolarHBondContact CB-O 3.35Å; S168-L233 WeakPolarHBondContact CB-O 3.4Å; S168-G235 WeakPolarHBondContact OG-CA 3.31Å; S168-G235 PolarHBondContact OG-N 2.83Å
169P98.6Very high96.7Very high46 Ų4651 Ų5130%0.29925%0.253SS..Hα-helixtrans-55.4-37173.5-23.930.7000113.3L172 T173 G253 R254 I256P169-L172 PolarHBondContact O-N 2.76Å; P169-T173 WeakPolarHBondContact O-CB 3.43Å; P169-T173 PolarHBondContact O-N 3.44Å; P169-T173 PolarHBondContact O-OG1 2.83Å; P169-G253 WeakPolarHBondContact CG-O 3.3Å; P169-R254 VanDerWaalsContact CD-O 3.23Å; P169-R254 WeakPolarHBondContact CD-O 3.2Å; P169-I256 HydrophobicContact CB-CD1 4.1Å; P169-I256 HydrophobicContact CG-CD1 3.87Å; P169-I256 HydrophobicContact CG-CG1 4.19Å
170H97.4Very high96.8Very high131 Ų13151.2 Ų51.261%0.60625%0.251SS*.Hα-helixtrans-64.2-42178.1177.6-114.2000111.9S168 T173 R174S168-H170 PolarHBondContact O-N 3.02Å; H170-T173 PolarHBondContact O-N 3.46Å; H170-R174 PolarHBondContact O-N 3.03Å
171Y97.7Very high96.7Very high3 Ų346.7 Ų46.71%0.01223%0.232CC..Hα-helixtrans-62-47.1174.7177.5-92.5000111.5A167 S168 T173 R174 F175 H187 A188 G235 I238A167-Y171 HydrophobicContact CB-CD1 3.73Å; A167-Y171 HydrophobicContact CB-CE1 4.37Å; A167-Y171 HydrophobicContact CB-CG 4.47Å; S168-Y171 WeakPolarHBondContact O-CB 3.28Å; S168-Y171 PolarHBondContact O-N 2.92Å; S168-Y171 VanDerWaalsContact O-N 3.14Å; S168-Y171 PolarHBondContact OG-N 3.12Å; Y171-T173 VanDerWaalsContact C-N 3.29Å; Y171-T173 PolarHBondContact O-N 2.81Å; Y171-R174 PolarHBondContact O-N 2.89Å; Y171-F175 HydrophobicContact CD1-CD2 4.49Å; Y171-F175 AromaticContact CD2-CD2 3.52Å; Y171-F175 HydrophobicContact CD2-CD2 3.52Å; Y171-F175 AromaticContact CD2-CE2 3.81Å; Y171-F175 HydrophobicContact CD2-CE2 3.81Å; Y171-F175 HydrophobicContact CE1-CB 4.23Å; Y171-F175 HydrophobicContact CE1-CD2 4.36Å; Y171-F175 AromaticContact CE2-CD2 3.31Å; Y171-F175 HydrophobicContact CE2-CD2 3.31Å; Y171-F175 AromaticContact CE2-CE2 3.62Å; Y171-F175 HydrophobicContact CE2-CE2 3.62Å; Y171-F175 HydrophobicContact CE2-CG 4.03Å; Y171-F175 HydrophobicContact CG-CD2 4.12Å; Y171-F175 AromaticContact CZ-CD2 3.78Å; Y171-F175 WeakPolarHBondContact O-CD2 3.49Å; Y171-F175 PolarHBondContact O-N 3.26Å; Y171-H187 AromaticContact CE1-ND1 3.63Å; Y171-H187 AromaticContact CZ-ND1 3.77Å; Y171-H187 WeakPolarHBondContact OH-CA 3.44Å; Y171-H187 VanDerWaalsContact OH-CB 3.23Å; Y171-H187 WeakPolarHBondContact OH-CB 3.32Å; Y171-H187 PolarHBondContact OH-ND1 3.25Å; Y171-A188 HydrophobicContact CE2-CB 4.13Å; Y171-A188 PolarHBondContact OH-N 2.76Å; Y171-A188 PolarHBondContact OH-O 2.77Å; Y171-G235 WeakPolarHBondContact CD2-O 3.33Å; Y171-I238 HydrophobicContact CE1-CD1 4.34Å; Y171-I238 HydrophobicContact CE1-CG1 3.82Å
172L98.2Very high96.6Very high3 Ų351.8 Ų51.82%0.01626%0.259CS..Hα-helixtrans-67-29.6-179-62.8171.2000112.8A167 S168 P169 R174 G176 Y177 I256 V258A167-L172 HydrophobicContact CB-CD1 4.22Å; A167-L172 HydrophobicContact CB-CD2 3.9Å; A167-L172 HydrophobicContact CB-CG 3.92Å; S168-L172 WeakPolarHBondContact O-CG 3.22Å; S168-L172 PolarHBondContact O-N 2.91Å; S168-L172 VanDerWaalsContact O-N 3.12Å; P169-L172 PolarHBondContact O-N 2.76Å; L172-R174 VanDerWaalsContact C-N 3.27Å; L172-R174 PolarHBondContact O-N 3.37Å; L172-G176 VanDerWaalsContact CD2-O 3.24Å; L172-G176 WeakPolarHBondContact CD2-O 3.45Å; L172-G176 WeakPolarHBondContact O-CA 3.3Å; L172-G176 PolarHBondContact O-N 3.18Å; L172-Y177 HydrophobicContact CB-CE1 4.47Å; L172-Y177 HydrophobicContact CB-CE2 4.21Å; L172-Y177 HydrophobicContact CD1-CD1 4.1Å; L172-Y177 HydrophobicContact CD1-CE1 3.66Å; L172-Y177 HydrophobicContact CD2-CD1 4.39Å; L172-Y177 HydrophobicContact CG-CE1 4.49Å; L172-I256 HydrophobicContact CD1-CB 3.8Å; L172-I256 HydrophobicContact CD1-CD1 4.03Å; L172-I256 HydrophobicContact CD1-CG1 4.43Å; L172-I256 HydrophobicContact CD1-CG2 4.08Å; L172-V258 HydrophobicContact CD1-CG1 3.99Å; L172-V258 HydrophobicContact CD2-CG1 3.91Å
173T97.7Very high96.6Very high123 Ų12353 Ų5376%0.75526%0.264SS*.Hα-helixtrans-63.2-35.4172.2-580000111.6P169 H170 Y171P169-T173 WeakPolarHBondContact O-CB 3.43Å; P169-T173 PolarHBondContact O-N 3.44Å; P169-T173 PolarHBondContact O-OG1 2.83Å; H170-T173 PolarHBondContact O-N 3.46Å; Y171-T173 VanDerWaalsContact C-N 3.29Å; Y171-T173 PolarHBondContact O-N 2.81Å
174R95.7Very high96.5Very high189 Ų18952.2 Ų52.271%0.71326%0.261SS*.Hα-helixtrans-86.4-36.3-177.2-177.7174.1176.3-173.30.8113.6H170 Y171 L172H170-R174 PolarHBondContact O-N 3.03Å; Y171-R174 PolarHBondContact O-N 2.89Å; L172-R174 VanDerWaalsContact C-N 3.27Å; L172-R174 PolarHBondContact O-N 3.37Å
175F95.4Very high96.2Very high84 Ų8457 Ų5737%0.36829%0.29SS..Hα-helixtrans-113.9-5-171.4-63.8-80.8000113.9Y171 H187Y171-F175 HydrophobicContact CD1-CD2 4.49Å; Y171-F175 AromaticContact CD2-CD2 3.52Å; Y171-F175 HydrophobicContact CD2-CD2 3.52Å; Y171-F175 AromaticContact CD2-CE2 3.81Å; Y171-F175 HydrophobicContact CD2-CE2 3.81Å; Y171-F175 HydrophobicContact CE1-CB 4.23Å; Y171-F175 HydrophobicContact CE1-CD2 4.36Å; Y171-F175 AromaticContact CE2-CD2 3.31Å; Y171-F175 HydrophobicContact CE2-CD2 3.31Å; Y171-F175 AromaticContact CE2-CE2 3.62Å; Y171-F175 HydrophobicContact CE2-CE2 3.62Å; Y171-F175 HydrophobicContact CE2-CG 4.03Å; Y171-F175 HydrophobicContact CG-CD2 4.12Å; Y171-F175 AromaticContact CZ-CD2 3.78Å; Y171-F175 WeakPolarHBondContact O-CD2 3.49Å; Y171-F175 PolarHBondContact O-N 3.26Å; F175-H187 PolarHBondContact O-CE1 2.96Å
176G96.5Very high95.8Very high30 Ų3061.3 Ų61.331%0.30932%0.32SS..  trans79.5-177-175.300000113.5L172 H187L172-G176 VanDerWaalsContact CD2-O 3.24Å; L172-G176 WeakPolarHBondContact CD2-O 3.45Å; L172-G176 WeakPolarHBondContact O-CA 3.3Å; L172-G176 PolarHBondContact O-N 3.18Å; G176-H187 PolarHBondContact O-CE1 2.87Å
177Y97.4Very high95.7Very high130 Ų13061.8 Ų61.851%0.5132%0.322SS..  trans-101.1117.9178.5-71.6-102.8000109.9L172 Q179 I256L172-Y177 HydrophobicContact CB-CE1 4.47Å; L172-Y177 HydrophobicContact CB-CE2 4.21Å; L172-Y177 HydrophobicContact CD1-CD1 4.1Å; L172-Y177 HydrophobicContact CD1-CE1 3.66Å; L172-Y177 HydrophobicContact CD2-CD1 4.39Å; L172-Y177 HydrophobicContact CG-CE1 4.49Å; Y177-Q179 PolarHBondContact O-N 3.37Å; Y177-Q179 PolarHBondContact O-NE2 3.41Å; Y177-I256 HydrophobicContact CE1-CG2 4.21Å
178P96.5Very high95.5Very high6 Ų663 Ų634%0.03933%0.332CS..  trans-66.3129.1172.827.8-33.1000109.6D183 I238 V258 L259P178-D183 HydrophobicContact CB-CB 4.03Å; P178-I238 HydrophobicContact CG-CD1 3.9Å; P178-V258 HydrophobicContact CG-CB 4.21Å; P178-V258 HydrophobicContact CG-CG2 4.43Å; P178-L259 HydrophobicContact CB-CD1 4.2Å; P178-L259 HydrophobicContact CB-CD2 4.08Å; P178-L259 HydrophobicContact CB-CG 4.12Å; P178-L259 HydrophobicContact CG-CD1 4.22Å; P178-L259 HydrophobicContact CG-CD2 4.45Å; P178-L259 HydrophobicContact CG-CG 4.03Å; P178-L259 WeakPolarHBondContact O-CD2 3.43Å
179Q95.7Very high95.2Very high142 Ų14263 Ų6366%0.66433%0.332SS*.  trans-96-29.6178.4-57.6-54.4-56.500111.5Y177 D183Y177-Q179 PolarHBondContact O-N 3.37Å; Y177-Q179 PolarHBondContact O-NE2 3.41Å; Q179-D183 WeakPolarHBondContact CA-OD2 3.44Å; Q179-D183 PolarHBondContact N-OD2 3.12Å
180S95.4Very high95Very high29 Ų2960.9 Ų60.920%0.20332%0.318CS..SBendtrans-139.9163.4175.3770000111.9D182 D183S180-D182 PolarHBondContact O-N 3.33Å; S180-D182 VanDerWaalsContact O-N 3.16Å; S180-D182 PolarHBondContact OG-N 3.37Å; S180-D183 PolarHBondContact N-OD2 3.37Å; S180-D183 WeakPolarHBondContact O-CB 3.28Å; S180-D183 PolarHBondContact O-N 3.36Å; S180-D183 VanDerWaalsContact O-N 3.09Å
181P93.2Very high94.8Very high6 Ų657.1 Ų57.14%0.03930%0.299CS..G310 helixtrans-58.3-23.3175.4-27.737.4000114.6D183 L184 V205 F214 Y262P181-D183 PolarHBondContact O-N 2.93Å; P181-L184 HydrophobicContact CB-CD1 4.36Å; P181-L184 WeakPolarHBondContact O-CB 3.39Å; P181-L184 WeakPolarHBondContact O-CG 3.47Å; P181-L184 PolarHBondContact O-N 2.89Å; P181-L184 VanDerWaalsContact O-N 3.15Å; P181-V205 HydrophobicContact CB-CG2 4.48Å; P181-V205 HydrophobicContact CG-CG2 4.06Å; P181-F214 HydrophobicContact CB-CB 4.38Å; P181-F214 HydrophobicContact CB-CD1 3.39Å; P181-F214 HydrophobicContact CB-CD2 3.71Å; P181-F214 HydrophobicContact CB-CE1 3.44Å; P181-F214 VanDerWaalsContact CB-CE1 3.44Å; P181-F214 HydrophobicContact CB-CE2 3.75Å; P181-F214 HydrophobicContact CB-CG 3.53Å; P181-F214 HydrophobicContact CB-CZ 3.61Å; P181-F214 HydrophobicContact CG-CD2 4.47Å; P181-F214 HydrophobicContact CG-CE1 4.34Å; P181-F214 HydrophobicContact CG-CE2 4.16Å; P181-F214 HydrophobicContact CG-CZ 4.09Å; P181-Y262 HydrophobicContact CG-CD1 3.4Å; P181-Y262 HydrophobicContact CG-CD2 4.13Å; P181-Y262 HydrophobicContact CG-CE1 3.85Å; P181-Y262 HydrophobicContact CG-CG 3.55Å
182D92.7Very high94.4Very high113 Ų11360.9 Ų60.960%0.60431%0.313SS*.G310 helixtrans-67.8-26.9177.2-67.3-27.8000112.2S180 L184 T185S180-D182 PolarHBondContact O-N 3.33Å; S180-D182 VanDerWaalsContact O-N 3.16Å; S180-D182 PolarHBondContact OG-N 3.37Å; D182-L184 PolarHBondContact O-N 3.41Å; D182-T185 PolarHBondContact O-N 3.02Å; D182-T185 PolarHBondContact O-OG1 3.36Å; D182-T185 VanDerWaalsContact O-OG1 3.05Å
183D94.1Very high94Very high58 Ų5861.8 Ų61.831%0.3132%0.319SS..G310 helixtrans-66.8-17.8175.9-57.6-31.2000111.8P178 Q179 S180 P181 T185 S186 H187P178-D183 HydrophobicContact CB-CB 4.03Å; Q179-D183 WeakPolarHBondContact CA-OD2 3.44Å; Q179-D183 PolarHBondContact N-OD2 3.12Å; S180-D183 PolarHBondContact N-OD2 3.37Å; S180-D183 WeakPolarHBondContact O-CB 3.28Å; S180-D183 PolarHBondContact O-N 3.36Å; S180-D183 VanDerWaalsContact O-N 3.09Å; P181-D183 PolarHBondContact O-N 2.93Å; D183-T185 PolarHBondContact O-N 3.05Å; D183-S186 PolarHBondContact O-N 3.35Å; D183-H187 PolarHBondContact O-CD2 2.97Å; D183-H187 VanDerWaalsContact O-CD2 3.27Å
184L93.4Very high93.3Very high0 Ų058.1 Ų58.10%030%0.297CS..G310 helixtrans-64-15.4-177.7-64.2177.8000113.9P181 D182 S186 H187 I189 F203 F214 S216 I238 L259P181-L184 HydrophobicContact CB-CD1 4.36Å; P181-L184 WeakPolarHBondContact O-CB 3.39Å; P181-L184 WeakPolarHBondContact O-CG 3.47Å; P181-L184 PolarHBondContact O-N 2.89Å; P181-L184 VanDerWaalsContact O-N 3.15Å; D182-L184 PolarHBondContact O-N 3.41Å; L184-S186 PolarHBondContact O-N 3.46Å; L184-H187 HydrophobicContact CD2-CB 4.36Å; L184-H187 PolarHBondContact O-N 3.17Å; L184-H187 VanDerWaalsContact O-O 3.05Å; L184-I189 HydrophobicContact CD2-CD1 3.94Å; L184-F203 HydrophobicContact CD1-CB 3.6Å; L184-F203 HydrophobicContact CD1-CD1 3.37Å; L184-F203 HydrophobicContact CD1-CD2 3.88Å; L184-F203 HydrophobicContact CD1-CE1 3.89Å; L184-F203 HydrophobicContact CD1-CE2 4.34Å; L184-F203 HydrophobicContact CD1-CG 3.35Å; L184-F203 HydrophobicContact CD1-CZ 4.32Å; L184-F214 HydrophobicContact CD1-CB 4.1Å; L184-S216 WeakPolarHBondContact O-CA 3.45Å; L184-I238 HydrophobicContact CD2-CD1 3.73Å; L184-L259 HydrophobicContact CD1-CD1 4.39Å; L184-L259 HydrophobicContact CD2-CD1 3.93Å; L184-L259 HydrophobicContact CG-CD1 4.3Å
185T90.7Very high92.7Very high101 Ų10154.6 Ų54.662%0.6229%0.289SS*.G310 helixtrans-60.6-28.717055.10000112.8D182 D183D182-T185 PolarHBondContact O-N 3.02Å; D182-T185 PolarHBondContact O-OG1 3.36Å; D182-T185 VanDerWaalsContact O-OG1 3.05Å; D183-T185 PolarHBondContact O-N 3.05Å
186S91.3Very high92.2Very high90 Ų9055.5 Ų55.563%0.62930%0.297SS*.G310 helixtrans-98.32.1178.1-600000113.4D183 L184D183-S186 PolarHBondContact O-N 3.35Å; L184-S186 PolarHBondContact O-N 3.46Å
187H94.6Very high91.5Very high10 Ų1058 Ų585%0.04632%0.323CS..SBendtrans-115.5149.5-178.5-74-73.2000112.1Y171 F175 G176 D183 L184 G217 I238Y171-H187 AromaticContact CE1-ND1 3.63Å; Y171-H187 AromaticContact CZ-ND1 3.77Å; Y171-H187 WeakPolarHBondContact OH-CA 3.44Å; Y171-H187 VanDerWaalsContact OH-CB 3.23Å; Y171-H187 WeakPolarHBondContact OH-CB 3.32Å; Y171-H187 PolarHBondContact OH-ND1 3.25Å; F175-H187 PolarHBondContact O-CE1 2.96Å; G176-H187 PolarHBondContact O-CE1 2.87Å; D183-H187 PolarHBondContact O-CD2 2.97Å; D183-H187 VanDerWaalsContact O-CD2 3.27Å; L184-H187 HydrophobicContact CD2-CB 4.36Å; L184-H187 PolarHBondContact O-N 3.17Å; L184-H187 VanDerWaalsContact O-O 3.05Å; H187-G217 WeakPolarHBondContact O-CA 3.2Å; H187-G217 PolarHBondContact O-N 3.49Å; H187-G217 VanDerWaalsContact O-N 3.11Å; H187-I238 HydrophobicContact CB-CD1 3.93Å
188A94Very high90.4Very high25 Ų2556.5 Ų56.521%0.20733%0.327CS..BIsolated β-bridgetrans-82.2133.5164.400000111Y171 G217 G237 I238Y171-A188 HydrophobicContact CE2-CB 4.13Å; Y171-A188 PolarHBondContact OH-N 2.76Å; Y171-A188 PolarHBondContact OH-O 2.77Å; A188-G217 CarbonylContact C-O 3.58Å; A188-G217 WeakPolarHBondContact CA-O 3.45Å; A188-G237 CarbonylContact O-C 3.52Å; A188-G237 WeakPolarHBondContact O-CA 3.16Å; A188-I238 PolarHBondContact O-N 3.47Å
189I94Very high89.1Confident5 Ų564.8 Ų64.83%0.02637%0.365CS..BIsolated β-bridgetrans-108130.3167.2-60.8-57.4000108.2L184 R191 F203 S216 G217 I238L184-I189 HydrophobicContact CD2-CD1 3.94Å; I189-R191 HydrophobicContact CG2-CG 4.13Å; I189-F203 HydrophobicContact CD1-CD2 3.66Å; I189-F203 HydrophobicContact CD1-CE2 4.3Å; I189-F203 HydrophobicContact CD1-CG 4.49Å; I189-F203 HydrophobicContact CG1-CB 4.42Å; I189-F203 HydrophobicContact CG1-CD2 4.36Å; I189-S216 VanDerWaalsContact CG1-OG 3.26Å; I189-S216 WeakPolarHBondContact CG1-OG 3.28Å; I189-G217 PolarHBondContact N-O 2.71Å; I189-I238 HydrophobicContact CD1-CB 3.61Å; I189-I238 HydrophobicContact CD1-CD1 4.03Å; I189-I238 HydrophobicContact CD1-CG1 4.32Å; I189-I238 HydrophobicContact CD1-CG2 4.17Å
190V94.3Very high87.8Confident1 Ų160 Ų601%0.00635%0.346CS..  trans-79.8132.6163.1-174.70000106.5L220 V222 Y228 A231 L236 I238 I239V190-L220 HydrophobicContact CG1-CB 4.5Å; V190-L220 HydrophobicContact CG1-CD2 4.09Å; V190-L220 HydrophobicContact CG1-CG 4.23Å; V190-V222 HydrophobicContact CG1-CG2 4.39Å; V190-Y228 HydrophobicContact CB-CD2 4.26Å; V190-Y228 HydrophobicContact CB-CE2 3.89Å; V190-Y228 HydrophobicContact CG1-CD2 3.67Å; V190-Y228 HydrophobicContact CG1-CE2 3.75Å; V190-Y228 WeakPolarHBondContact O-CE2 3.12Å; V190-Y228 PolarHBondContact O-OH 2.9Å; V190-A231 HydrophobicContact CB-CB 4.49Å; V190-A231 HydrophobicContact CG1-CB 3.85Å; V190-A231 HydrophobicContact CG2-CB 3.95Å; V190-L236 HydrophobicContact CG2-CB 4.15Å; V190-I238 PolarHBondContact N-O 2.82Å; V190-I239 HydrophobicContact CB-CG2 3.86Å; V190-I239 HydrophobicContact CG2-CG2 4.16Å
191R92.1Very high86.7Confident52 Ų5264.5 Ų64.520%0.19637%0.367CS..EExtended strand (participates in β ladder)trans-104.2139-176.5-62.5-172.7-71.9-108.7-5.2110.6I189 P200 G218 L220 T221 V222I189-R191 HydrophobicContact CG2-CG 4.13Å; R191-P200 HydrophobicContact CB-CB 4.25Å; R191-P200 HydrophobicContact CB-CG 3.92Å; R191-P200 HydrophobicContact CG-CG 4.18Å; R191-G218 PolarHBondContact NH1-O 2.92Å; R191-G218 PolarHBondContact NH2-O 3.23Å; R191-L220 PolarHBondContact N-O 2.99Å; R191-T221 HydrophobicContact CB-CG2 4.24Å; R191-T221 CarbonylContact O-C 3.6Å; R191-T221 VanDerWaalsContact O-CA 3.31Å; R191-T221 WeakPolarHBondContact O-CA 3Å; R191-V222 PolarHBondContact O-N 3.22Å
192Y90.6Very high86.1Confident82 Ų8265 Ų6532%0.32237%0.374SS..EExtended strand (participates in β ladder)trans-114.1129.4175.8174.9-95.5000109.8D129 V222 Y228D129-Y192 VanDerWaalsContact CB-OH 3.29Å; D129-Y192 WeakPolarHBondContact CB-OH 3.24Å; D129-Y192 PolarHBondContact OD1-OH 3.18Å; Y192-V222 CarbonylContact C-O 3.5Å; Y192-V222 VanDerWaalsContact CA-O 3.3Å; Y192-V222 WeakPolarHBondContact CA-O 3.35Å; Y192-Y228 HydrophobicContact CD2-CG 4.4Å
193T88.6Confident86.1Confident21 Ų2159.7 Ų59.713%0.12935%0.345CS..  trans-148.9131.1167.6174.40000109.7H195 L196 T221 V222 N223T193-H195 WeakPolarHBondContact CG2-O 3.11Å; T193-H195 PolarHBondContact O-N 3.35Å; T193-H195 PolarHBondContact OG1-N 2.96Å; T193-H195 VanDerWaalsContact OG1-N 3.13Å; T193-H195 PolarHBondContact OG1-O 2.95Å; T193-L196 HydrophobicContact CG2-CD2 4.04Å; T193-T221 HydrophobicContact CG2-CG2 3.6Å; T193-V222 PolarHBondContact N-O 3.48Å; T193-N223 WeakPolarHBondContact O-CA 3.44Å; T193-N223 WeakPolarHBondContact O-CB 3.41Å
194P82.6Confident86Confident47 Ų4758.9 Ų58.931%0.30534%0.34SS..SBendtrans-64.9-20.9172.726.7-32.7000112.4
195H84.1Confident86.1Confident115 Ų11559.2 Ų59.253%0.53234%0.341SS..SBendtrans-115.898.8179.3-57.6-69.5000110.8T193T193-H195 WeakPolarHBondContact CG2-O 3.11Å; T193-H195 PolarHBondContact O-N 3.35Å; T193-H195 PolarHBondContact OG1-N 2.96Å; T193-H195 VanDerWaalsContact OG1-N 3.13Å; T193-H195 PolarHBondContact OG1-O 2.95Å
196L84.3Confident86.2Confident102 Ų10256.1 Ų56.153%0.53433%0.326SS..THydrogen-bonded Turntrans-67.2150.8174.6-63.7176.1000111.1T193 T221 N223T193-L196 HydrophobicContact CG2-CD2 4.04Å; L196-T221 HydrophobicContact CD2-CG2 3.88Å; L196-N223 HydrophobicContact CD1-CB 4.43Å; L196-N223 HydrophobicContact CD2-CB 4.19Å; L196-N223 HydrophobicContact CG-CB 4.06Å
197G81.7Confident86.2Confident84 Ų8453.6 Ų53.687%0.86631%0.308SS*.THydrogen-bonded Turntrans95.7-15.5-178.100000114.4
198V74.1Confident85.8Confident98 Ų9860.2 Ų60.259%0.59435%0.349SS*.SBendtrans-85.2137.2167.1-176.20000108.8P200V198-P200 WeakPolarHBondContact O-CD 3.3Å
199H69Low85.4Confident180 Ų18066.6 Ų66.683%0.83338%0.38SS*.  trans-68.8112.7172.1-85-71.8000109.8
200P68.2Low85.2Confident41 Ų4168 Ų6827%0.26640%0.396SS..  trans-61.8140.3173.124.7-35.3000111R191 V198 G202R191-P200 HydrophobicContact CB-CB 4.25Å; R191-P200 HydrophobicContact CB-CG 3.92Å; R191-P200 HydrophobicContact CG-CG 4.18Å; V198-P200 WeakPolarHBondContact O-CD 3.3Å; P200-G202 PolarHBondContact O-N 3.19Å
201L72.2Confident85Confident124 Ų12471 Ų7165%0.64941%0.414SS*.  trans-69.6-15-171.3-67.2170.3000114.3W213L201-W213 VanDerWaalsContact C-CE3 3.49Å; L201-W213 HydrophobicContact CB-CD2 3.35Å; L201-W213 HydrophobicContact CB-CE3 3.44Å; L201-W213 VanDerWaalsContact CB-CE3 3.44Å; L201-W213 HydrophobicContact CB-CG 3.92Å; L201-W213 HydrophobicContact CB-CH2 3.97Å; L201-W213 HydrophobicContact CB-CZ2 3.89Å; L201-W213 HydrophobicContact CB-CZ3 3.75Å; L201-W213 HydrophobicContact CD1-CD2 4.27Å; L201-W213 HydrophobicContact CD1-CH2 4.32Å; L201-W213 HydrophobicContact CD1-CZ2 3.62Å; L201-W213 HydrophobicContact CG-CD2 4.43Å; L201-W213 HydrophobicContact CG-CZ2 4.39Å
202G81.7Confident85Confident17 Ų1773.3 Ų73.318%0.17543%0.427CS..  trans125.3-146.7175.100000112.4P200P200-G202 PolarHBondContact O-N 3.19Å
203F91.6Very high85Confident0 Ų074.7 Ų74.70%043%0.432CS..EExtended strand (participates in β ladder)trans-90.2128.7171.5-176.7-86000109.7N165 L184 I189 V205 W213 F214 I238 Q240 L259N165-F203 HydrophobicContact CB-CE2 4.12Å; N165-F203 HydrophobicContact CB-CZ 4.01Å; N165-F203 WeakPolarHBondContact OD1-CZ 3.43Å; L184-F203 HydrophobicContact CD1-CB 3.6Å; L184-F203 HydrophobicContact CD1-CD1 3.37Å; L184-F203 HydrophobicContact CD1-CD2 3.88Å; L184-F203 HydrophobicContact CD1-CE1 3.89Å; L184-F203 HydrophobicContact CD1-CE2 4.34Å; L184-F203 HydrophobicContact CD1-CG 3.35Å; L184-F203 HydrophobicContact CD1-CZ 4.32Å; I189-F203 HydrophobicContact CD1-CD2 3.66Å; I189-F203 HydrophobicContact CD1-CE2 4.3Å; I189-F203 HydrophobicContact CD1-CG 4.49Å; I189-F203 HydrophobicContact CG1-CB 4.42Å; I189-F203 HydrophobicContact CG1-CD2 4.36Å; F203-V205 HydrophobicContact CD1-CG2 3.81Å; F203-V205 HydrophobicContact CE1-CG2 3.66Å; F203-W213 WeakPolarHBondContact O-CA 3.34Å; F203-F214 HydrophobicContact CB-CB 4.44Å; F203-F214 PolarHBondContact N-O 3.41Å; F203-F214 VanDerWaalsContact N-O 3.14Å; F203-F214 PolarHBondContact O-N 3.15Å; F203-I238 HydrophobicContact CE2-CG2 4.13Å; F203-Q240 VanDerWaalsContact CD2-CD 3.45Å; F203-Q240 HydrophobicContact CD2-CG 3.74Å; F203-Q240 VanDerWaalsContact CE2-CD 3.47Å; F203-Q240 HydrophobicContact CE2-CG 3.51Å; F203-Q240 HydrophobicContact CZ-CG 4.22Å; F203-L259 HydrophobicContact CE1-CD1 4.19Å; F203-L259 HydrophobicContact CZ-CD1 3.83Å
204E92.9Very high85.1Confident42 Ų4275.8 Ų75.820%0.19643%0.434CS..EExtended strand (participates in β ladder)trans-93.2133.2-172.9-164.8-170.1135.300111.7V211 W213 Q240 A264 E265E204-V211 HydrophobicContact CG-CG1 3.33Å; E204-W213 HydrophobicContact CB-CE3 4.13Å; E204-W213 HydrophobicContact CB-CH2 3.91Å; E204-W213 HydrophobicContact CB-CZ3 3.66Å; E204-W213 HydrophobicContact CG-CE3 4.49Å; E204-W213 HydrophobicContact CG-CH2 3.87Å; E204-W213 HydrophobicContact CG-CZ2 4.11Å; E204-W213 HydrophobicContact CG-CZ3 4.08Å; E204-Q240 PolarHBondContact O-NE2 3.04Å; E204-A264 HydrophobicContact CB-CB 3.9Å; E204-A264 HydrophobicContact CG-CB 4.09Å; E204-E265 PolarHBondContact OE1-N 3.12Å
205V95.2Very high85.2Confident6 Ų682.4 Ų82.44%0.03646%0.459CS..EExtended strand (participates in β ladder)trans-130.2124.4170.3-1790000109.5P181 F203 Q212 F214 Y262P181-V205 HydrophobicContact CB-CG2 4.48Å; P181-V205 HydrophobicContact CG-CG2 4.06Å; F203-V205 HydrophobicContact CD1-CG2 3.81Å; F203-V205 HydrophobicContact CE1-CG2 3.66Å; V205-Q212 PolarHBondContact N-O 2.71Å; V205-Q212 PolarHBondContact O-N 2.83Å; V205-F214 HydrophobicContact CB-CD2 4.27Å; V205-F214 HydrophobicContact CB-CE2 3.85Å; V205-F214 HydrophobicContact CG2-CD2 3.7Å; V205-F214 HydrophobicContact CG2-CE2 3.62Å; V205-Y262 HydrophobicContact CG1-CD1 4.15Å
206A93.7Very high85.2Confident36 Ų3678.2 Ų78.230%0.29844%0.442SS..EExtended strand (participates in β ladder)trans-67.3136170.700000110.6R263 E265A206-R263 VanDerWaalsContact CB-O 3.31Å; A206-R263 WeakPolarHBondContact CB-O 3.24Å; A206-R263 PolarHBondContact N-O 2.94Å; A206-E265 HydrophobicContact CB-CG 4.09Å; A206-E265 WeakPolarHBondContact CB-OE1 3.22Å
207S90.4Very high84.7Confident37 Ų3774.9 Ų74.926%0.25943%0.433SS..EExtended strand (participates in β ladder)trans-141.2159.6-179.1140.10000109.7N209 G210S207-N209 PolarHBondContact O-N 2.79Å; S207-N209 VanDerWaalsContact O-N 3.12Å; S207-N209 PolarHBondContact OG-N 2.8Å; S207-N209 VanDerWaalsContact OG-N 3.13Å; S207-G210 CarbonylContact C-O 3.53Å; S207-G210 WeakPolarHBondContact CA-O 3.32Å; S207-G210 WeakPolarHBondContact CB-O 3.41Å; S207-G210 PolarHBondContact N-O 2.86Å; S207-G210 PolarHBondContact O-N 3.46Å; S207-G210 VanDerWaalsContact O-O 3.09Å
208V86.6Confident84.2Confident150 Ų15072 Ų7291%0.90940%0.403SS*.THydrogen-bonded Turntrans-56.5-29.2176.21800000111.9
209N85.7Confident84.4Confident159 Ų15976.7 Ų76.785%0.8542%0.421SS*.THydrogen-bonded Turntrans-96.917.2-179.6-63.3-32.9000113.1S207S207-N209 PolarHBondContact O-N 2.79Å; S207-N209 VanDerWaalsContact O-N 3.12Å; S207-N209 PolarHBondContact OG-N 2.8Å; S207-N209 VanDerWaalsContact OG-N 3.13Å
210G88.6Confident85.4Confident34 Ų3471.1 Ų71.135%0.35140%0.397SS..EExtended strand (participates in β ladder)trans102.8-151.1-17700000112.9S207S207-G210 CarbonylContact C-O 3.53Å; S207-G210 WeakPolarHBondContact CA-O 3.32Å; S207-G210 WeakPolarHBondContact CB-O 3.41Å; S207-G210 PolarHBondContact N-O 2.86Å; S207-G210 PolarHBondContact O-N 3.46Å; S207-G210 VanDerWaalsContact O-O 3.09Å
211V90.8Very high86.6Confident64 Ų6471.5 Ų71.539%0.38840%0.398SS..EExtended strand (participates in β ladder)trans-92.5129.6-172.4177.50000111.7E204 W213 E265E204-V211 HydrophobicContact CG-CG1 3.33Å; V211-W213 HydrophobicContact CG1-CD2 4.33Å; V211-W213 HydrophobicContact CG1-CZ2 3.95Å; V211-E265 HydrophobicContact CG2-CG 4.03Å
212Q92.4Very high87.6Confident101 Ų10166.4 Ų66.447%0.47237%0.372SS..EExtended strand (participates in β ladder)trans-103.5136.7169.9-67.6-176.5-37.900110.8V205 F214V205-Q212 PolarHBondContact N-O 2.71Å; V205-Q212 PolarHBondContact O-N 2.83Å; Q212-F214 HydrophobicContact CB-CE2 3.81Å; Q212-F214 HydrophobicContact CB-CZ 4.43Å
213W91.3Very high88.1Confident111 Ų11169 Ų6942%0.4238%0.382SS..EExtended strand (participates in β ladder)trans-112.2123.2179.7-66.197.5000110.7L201 F203 E204 V211L201-W213 VanDerWaalsContact C-CE3 3.49Å; L201-W213 HydrophobicContact CB-CD2 3.35Å; L201-W213 HydrophobicContact CB-CE3 3.44Å; L201-W213 VanDerWaalsContact CB-CE3 3.44Å; L201-W213 HydrophobicContact CB-CG 3.92Å; L201-W213 HydrophobicContact CB-CH2 3.97Å; L201-W213 HydrophobicContact CB-CZ2 3.89Å; L201-W213 HydrophobicContact CB-CZ3 3.75Å; L201-W213 HydrophobicContact CD1-CD2 4.27Å; L201-W213 HydrophobicContact CD1-CH2 4.32Å; L201-W213 HydrophobicContact CD1-CZ2 3.62Å; L201-W213 HydrophobicContact CG-CD2 4.43Å; L201-W213 HydrophobicContact CG-CZ2 4.39Å; F203-W213 WeakPolarHBondContact O-CA 3.34Å; E204-W213 HydrophobicContact CB-CE3 4.13Å; E204-W213 HydrophobicContact CB-CH2 3.91Å; E204-W213 HydrophobicContact CB-CZ3 3.66Å; E204-W213 HydrophobicContact CG-CE3 4.49Å; E204-W213 HydrophobicContact CG-CH2 3.87Å; E204-W213 HydrophobicContact CG-CZ2 4.11Å; E204-W213 HydrophobicContact CG-CZ3 4.08Å; V211-W213 HydrophobicContact CG1-CD2 4.33Å; V211-W213 HydrophobicContact CG1-CZ2 3.95Å
214F91.1Very high88.1Confident43 Ų4370.1 Ų70.119%0.18939%0.39CS..EExtended strand (participates in β ladder)trans-102131.5179.5-69-93.9000110.7P181 L184 F203 V205 Q212P181-F214 HydrophobicContact CB-CB 4.38Å; P181-F214 HydrophobicContact CB-CD1 3.39Å; P181-F214 HydrophobicContact CB-CD2 3.71Å; P181-F214 HydrophobicContact CB-CE1 3.44Å; P181-F214 VanDerWaalsContact CB-CE1 3.44Å; P181-F214 HydrophobicContact CB-CE2 3.75Å; P181-F214 HydrophobicContact CB-CG 3.53Å; P181-F214 HydrophobicContact CB-CZ 3.61Å; P181-F214 HydrophobicContact CG-CD2 4.47Å; P181-F214 HydrophobicContact CG-CE1 4.34Å; P181-F214 HydrophobicContact CG-CE2 4.16Å; P181-F214 HydrophobicContact CG-CZ 4.09Å; L184-F214 HydrophobicContact CD1-CB 4.1Å; F203-F214 HydrophobicContact CB-CB 4.44Å; F203-F214 PolarHBondContact N-O 3.41Å; F203-F214 VanDerWaalsContact N-O 3.14Å; F203-F214 PolarHBondContact O-N 3.15Å; V205-F214 HydrophobicContact CB-CD2 4.27Å; V205-F214 HydrophobicContact CB-CE2 3.85Å; V205-F214 HydrophobicContact CG2-CD2 3.7Å; V205-F214 HydrophobicContact CG2-CE2 3.62Å; Q212-F214 HydrophobicContact CB-CE2 3.81Å; Q212-F214 HydrophobicContact CB-CZ 4.43Å
215K84.6Confident88.1Confident187 Ų18769.4 Ų69.481%0.81339%0.39SS*.  trans-64.8138.7171.6-71.4-174.6179.3178.70108.9
216S82.3Confident88.1Confident27 Ų2774.9 Ų74.919%0.18942%0.415CS..  trans-145.2156.6-179.947.60000111.1L184 I189L184-S216 WeakPolarHBondContact O-CA 3.45Å; I189-S216 VanDerWaalsContact CG1-OG 3.26Å; I189-S216 WeakPolarHBondContact CG1-OG 3.28Å
217G75.2Confident88.2Confident32 Ų3277.3 Ų77.333%0.3342%0.423SS..BIsolated β-bridgetrans-66.8154.1162.300000110.2H187 A188 I189H187-G217 WeakPolarHBondContact O-CA 3.2Å; H187-G217 PolarHBondContact O-N 3.49Å; H187-G217 VanDerWaalsContact O-N 3.11Å; A188-G217 CarbonylContact C-O 3.58Å; A188-G217 WeakPolarHBondContact CA-O 3.45Å; I189-G217 PolarHBondContact N-O 2.71Å
218G70.5Confident88.4Confident24 Ų2476.1 Ų76.125%0.24741%0.413CS..  trans169.4131.5172.400000112.4R191R191-G218 PolarHBondContact NH1-O 2.92Å; R191-G218 PolarHBondContact NH2-O 3.23Å
219M77.5Confident88.9Confident195 Ų19570.5 Ų70.596%0.96138%0.378SS*.  trans-107.7-11.8-178.1-64.9-179.370.700113.1
220L91.8Very high89.5Confident63 Ų6366.4 Ų66.433%0.3336%0.358SS..  trans-120.2123.5-172.3-176.762.8000111.4V190 R191 V222 A231 L236V190-L220 HydrophobicContact CG1-CB 4.5Å; V190-L220 HydrophobicContact CG1-CD2 4.09Å; V190-L220 HydrophobicContact CG1-CG 4.23Å; R191-L220 PolarHBondContact N-O 2.99Å; L220-V222 HydrophobicContact CD1-CG1 3.98Å; L220-V222 HydrophobicContact CD2-CG1 4.14Å; L220-V222 HydrophobicContact CG-CG1 3.91Å; L220-A231 HydrophobicContact CD2-CB 3.84Å; L220-L236 HydrophobicContact CD2-CD1 3.71Å
221T92.5Very high89.9Confident50 Ų5065.1 Ų65.131%0.30734%0.344SS..EExtended strand (participates in β ladder)trans-117.2131.1167.3-57.70000107.9R191 T193 L196R191-T221 HydrophobicContact CB-CG2 4.24Å; R191-T221 CarbonylContact O-C 3.6Å; R191-T221 VanDerWaalsContact O-CA 3.31Å; R191-T221 WeakPolarHBondContact O-CA 3Å; T193-T221 HydrophobicContact CG2-CG2 3.6Å; L196-T221 HydrophobicContact CD2-CG2 3.88Å
222V93.4Very high90.2Very high17 Ų1762 Ų6210%0.10333%0.326CS..EExtended strand (participates in β ladder)trans-126.3157.9177.5-60.80000110.4V190 R191 Y192 T193 L220 N227 Y228V190-V222 HydrophobicContact CG1-CG2 4.39Å; R191-V222 PolarHBondContact O-N 3.22Å; Y192-V222 CarbonylContact C-O 3.5Å; Y192-V222 VanDerWaalsContact CA-O 3.3Å; Y192-V222 WeakPolarHBondContact CA-O 3.35Å; T193-V222 PolarHBondContact N-O 3.48Å; L220-V222 HydrophobicContact CD1-CG1 3.98Å; L220-V222 HydrophobicContact CD2-CG1 4.14Å; L220-V222 HydrophobicContact CG-CG1 3.91Å; V222-N227 HydrophobicContact CB-CB 4.26Å; V222-N227 HydrophobicContact CG1-CB 4.21Å; V222-Y228 HydrophobicContact CG2-CD2 3.67Å; V222-Y228 HydrophobicContact CG2-CG 4.2Å
223N92.1Very high90.5Very high70 Ų7059.7 Ų59.737%0.37432%0.316SS..SBendtrans-118.211.5177.666.5-18.8000113.3D129 T193 L196D129-N223 WeakPolarHBondContact CB-O 3.33Å; T193-N223 WeakPolarHBondContact O-CA 3.44Å; T193-N223 WeakPolarHBondContact O-CB 3.41Å; L196-N223 HydrophobicContact CD1-CB 4.43Å; L196-N223 HydrophobicContact CD2-CB 4.19Å; L196-N223 HydrophobicContact CG-CB 4.06Å
224S92.6Very high90.8Very high25 Ų2557.3 Ų57.318%0.17532%0.32CS..  trans-122.2129.6178.6164.50000109.4D129 E226 N227 Y228D129-S224 VanDerWaalsContact OD2-CA 3.27Å; D129-S224 WeakPolarHBondContact OD2-CA 3.42Å; S224-E226 PolarHBondContact O-N 2.92Å; S224-E226 PolarHBondContact OG-N 3.1Å; S224-N227 PolarHBondContact O-N 3.42Å; S224-N227 PolarHBondContact OG-N 3.45Å; S224-Y228 VanDerWaalsContact O-CB 3.32Å; S224-Y228 WeakPolarHBondContact O-CB 3.2Å; S224-Y228 PolarHBondContact O-N 2.99Å
225S92.8Very high91.1Very high26 Ų2655.9 Ų55.918%0.18232%0.317CS..Hα-helixtrans-64.4-29.6178.148.80000112.4D129 Y228 L229D129-S225 WeakPolarHBondContact OD1-CB 3.4Å; D129-S225 PolarHBondContact OD1-N 2.84Å; D129-S225 PolarHBondContact OD1-OG 3.44Å; D129-S225 PolarHBondContact OD2-N 3.35Å; D129-S225 PolarHBondContact OD2-OG 3.31Å; S225-Y228 WeakPolarHBondContact O-CB 3.23Å; S225-Y228 PolarHBondContact O-N 3.36Å; S225-L229 WeakPolarHBondContact O-CB 3.49Å; S225-L229 PolarHBondContact O-N 3.26Å
226E94.2Very high91.6Very high121 Ų12151.5 Ų51.557%0.56530%0.302SS*.Hα-helixtrans-70.6-46.6174.5-179168.8-142.500112.2S224 Y228 L229 T230S224-E226 PolarHBondContact O-N 2.92Å; S224-E226 PolarHBondContact OG-N 3.1Å; E226-Y228 PolarHBondContact O-N 3.22Å; E226-L229 PolarHBondContact O-N 3.12Å; E226-T230 WeakPolarHBondContact O-CB 3.06Å; E226-T230 PolarHBondContact O-N 3.46Å; E226-T230 PolarHBondContact O-OG1 2.83Å
227N95.7Very high92.2Very high88 Ų8850.2 Ų50.247%0.47129%0.293SS..Hα-helixtrans-62.9-34.6174-72.4-21.7000111.2V222 S224 T230 A231V222-N227 HydrophobicContact CB-CB 4.26Å; V222-N227 HydrophobicContact CG1-CB 4.21Å; S224-N227 PolarHBondContact O-N 3.42Å; S224-N227 PolarHBondContact OG-N 3.45Å; N227-T230 PolarHBondContact O-N 3.25Å; N227-A231 VanDerWaalsContact O-CB 3.28Å; N227-A231 WeakPolarHBondContact O-CB 3.48Å; N227-A231 PolarHBondContact O-N 2.96Å
228Y95.6Very high93.3Very high12 Ų1248.7 Ų48.75%0.04728%0.277CS..Hα-helixtrans-62.8-51.2176.4-168.1-123.5000112.2V190 Y192 V222 S224 S225 E226 T230 A231 G232 I239 Q240 I241V190-Y228 HydrophobicContact CB-CD2 4.26Å; V190-Y228 HydrophobicContact CB-CE2 3.89Å; V190-Y228 HydrophobicContact CG1-CD2 3.67Å; V190-Y228 HydrophobicContact CG1-CE2 3.75Å; V190-Y228 WeakPolarHBondContact O-CE2 3.12Å; V190-Y228 PolarHBondContact O-OH 2.9Å; Y192-Y228 HydrophobicContact CD2-CG 4.4Å; V222-Y228 HydrophobicContact CG2-CD2 3.67Å; V222-Y228 HydrophobicContact CG2-CG 4.2Å; S224-Y228 VanDerWaalsContact O-CB 3.32Å; S224-Y228 WeakPolarHBondContact O-CB 3.2Å; S224-Y228 PolarHBondContact O-N 2.99Å; S225-Y228 WeakPolarHBondContact O-CB 3.23Å; S225-Y228 PolarHBondContact O-N 3.36Å; E226-Y228 PolarHBondContact O-N 3.22Å; Y228-T230 VanDerWaalsContact C-N 3.34Å; Y228-T230 PolarHBondContact O-N 2.86Å; Y228-A231 PolarHBondContact O-N 3.48Å; Y228-G232 PolarHBondContact O-N 3.25Å; Y228-G232 VanDerWaalsContact O-N 3.12Å; Y228-I239 HydrophobicContact CD1-CB 4.28Å; Y228-I239 HydrophobicContact CD1-CG2 4.34Å; Y228-I239 HydrophobicContact CD2-CG2 4.04Å; Y228-I239 HydrophobicContact CE1-CB 3.62Å; Y228-I239 HydrophobicContact CE1-CG2 3.98Å; Y228-I239 HydrophobicContact CE2-CB 4.14Å; Y228-I239 HydrophobicContact CE2-CG2 3.67Å; Y228-I239 HydrophobicContact CG-CG2 4.36Å; Y228-I239 VanDerWaalsContact OH-CA 3.3Å; Y228-I239 WeakPolarHBondContact OH-CA 3.2Å; Y228-Q240 WeakPolarHBondContact CE1-O 3.05Å; Y228-Q240 PolarHBondContact OH-N 3.47Å; Y228-I241 HydrophobicContact CD1-CB 4.4Å; Y228-I241 HydrophobicContact CD1-CD1 4.17Å; Y228-I241 HydrophobicContact CD1-CG1 4.42Å; Y228-I241 HydrophobicContact CE1-CB 4.17Å
229L96.7Very high94.5Very high32 Ų3247.5 Ų47.517%0.16827%0.266CS..Hα-helixtrans-59-45.7174174.156.2000111.7S225 E226 A231 G232 L233 I239 I241 V246 L255S225-L229 WeakPolarHBondContact O-CB 3.49Å; S225-L229 PolarHBondContact O-N 3.26Å; E226-L229 PolarHBondContact O-N 3.12Å; L229-A231 VanDerWaalsContact C-N 3.33Å; L229-A231 PolarHBondContact O-N 2.99Å; L229-G232 PolarHBondContact O-N 3.13Å; L229-L233 HydrophobicContact CD1-CD1 4.03Å; L229-L233 HydrophobicContact CD1-CG 4.2Å; L229-L233 HydrophobicContact CG-CD1 3.95Å; L229-L233 WeakPolarHBondContact O-CG 3.3Å; L229-L233 PolarHBondContact O-N 3.37Å; L229-I239 HydrophobicContact CD1-CD1 4.48Å; L229-I241 HydrophobicContact CB-CD1 4.14Å; L229-I241 HydrophobicContact CD1-CD1 4.48Å; L229-V246 HydrophobicContact CD1-CG1 3.61Å; L229-L255 HydrophobicContact CD1-CD1 3.89Å
230T97.6Very high95.4Very high73 Ų7339.3 Ų39.345%0.44823%0.225SC..Hα-helixtrans-63.4-39.7-179-57.90000111.6E226 N227 Y228 L233 A234E226-T230 WeakPolarHBondContact O-CB 3.06Å; E226-T230 PolarHBondContact O-N 3.46Å; E226-T230 PolarHBondContact O-OG1 2.83Å; N227-T230 PolarHBondContact O-N 3.25Å; Y228-T230 VanDerWaalsContact C-N 3.34Å; Y228-T230 PolarHBondContact O-N 2.86Å; T230-L233 PolarHBondContact O-N 3.23Å; T230-A234 VanDerWaalsContact O-CB 3.28Å; T230-A234 WeakPolarHBondContact O-CB 3.48Å; T230-A234 PolarHBondContact O-N 3.11Å
231A97.3Very high95.6Very high6 Ų636.7 Ų36.75%0.0521%0.211CC..Hα-helixtrans-63-41.4174.700000112.2V190 L220 N227 Y228 L229 A234 G235 L236V190-A231 HydrophobicContact CB-CB 4.49Å; V190-A231 HydrophobicContact CG1-CB 3.85Å; V190-A231 HydrophobicContact CG2-CB 3.95Å; L220-A231 HydrophobicContact CD2-CB 3.84Å; N227-A231 VanDerWaalsContact O-CB 3.28Å; N227-A231 WeakPolarHBondContact O-CB 3.48Å; N227-A231 PolarHBondContact O-N 2.96Å; Y228-A231 PolarHBondContact O-N 3.48Å; L229-A231 VanDerWaalsContact C-N 3.33Å; L229-A231 PolarHBondContact O-N 2.99Å; A231-A234 PolarHBondContact O-N 3.05Å; A231-G235 PolarHBondContact O-N 2.83Å; A231-L236 HydrophobicContact CB-CB 4.35Å; A231-L236 HydrophobicContact CB-CD1 3.94Å; A231-L236 WeakPolarHBondContact O-CB 3.38Å; A231-L236 PolarHBondContact O-N 3.44Å
232G97.8Very high95.7Very high0 Ų035.4 Ų35.40%020%0.204CC..Hα-helixtrans-61.6-46.3173.100000112.2S168 Y228 L229 A234 G235S168-G232 WeakPolarHBondContact CB-O 3.35Å; Y228-G232 PolarHBondContact O-N 3.25Å; Y228-G232 VanDerWaalsContact O-N 3.12Å; L229-G232 PolarHBondContact O-N 3.13Å; G232-A234 PolarHBondContact O-N 3.41Å; G232-G235 PolarHBondContact O-N 3.3Å; G232-G235 VanDerWaalsContact O-N 3.1Å
233L98.3Very high95.8Very high52 Ų5239.3 Ų39.327%0.27222%0.217SC..Hα-helixtrans-62.6-40.2177-75.2167000112.7S168 L229 T230 G235 A249 R254 L255S168-L233 WeakPolarHBondContact CB-O 3.4Å; L229-L233 HydrophobicContact CD1-CD1 4.03Å; L229-L233 HydrophobicContact CD1-CG 4.2Å; L229-L233 HydrophobicContact CG-CD1 3.95Å; L229-L233 WeakPolarHBondContact O-CG 3.3Å; L229-L233 PolarHBondContact O-N 3.37Å; T230-L233 PolarHBondContact O-N 3.23Å; L233-G235 PolarHBondContact O-N 2.94Å; L233-A249 HydrophobicContact CD2-CB 4.14Å; L233-R254 HydrophobicContact CD2-CB 3.8Å; L233-L255 HydrophobicContact CD2-CD1 4.23Å; L233-L255 HydrophobicContact CD2-CD2 4.17Å; L233-L255 HydrophobicContact CD2-CG 3.79Å; L233-L255 HydrophobicContact CG-CD1 4.44Å; L233-L255 HydrophobicContact CG-CD2 4.44Å; L233-L255 HydrophobicContact CG-CG 4.36Å
234A97.5Very high95.8Very high60 Ų6037 Ų3750%0.49620%0.204SC..THydrogen-bonded Turntrans-70.6-7176.500000113.3T230 A231 G232 L236T230-A234 VanDerWaalsContact O-CB 3.28Å; T230-A234 WeakPolarHBondContact O-CB 3.48Å; T230-A234 PolarHBondContact O-N 3.11Å; A231-A234 PolarHBondContact O-N 3.05Å; G232-A234 PolarHBondContact O-N 3.41Å; A234-L236 HydrophobicContact CB-CG 4.2Å
235G96.8Very high95.8Very high13 Ų1337.1 Ų37.113%0.13421%0.206CC..THydrogen-bonded Turntrans72.235.5-179.700000113.8S168 Y171 A231 G232 L233 G237S168-G235 WeakPolarHBondContact OG-CA 3.31Å; S168-G235 PolarHBondContact OG-N 2.83Å; Y171-G235 WeakPolarHBondContact CD2-O 3.33Å; A231-G235 PolarHBondContact O-N 2.83Å; G232-G235 PolarHBondContact O-N 3.3Å; G232-G235 VanDerWaalsContact O-N 3.1Å; L233-G235 PolarHBondContact O-N 2.94Å; G235-G237 VanDerWaalsContact C-N 3.3Å
236L95.6Very high95.9Very high95 Ų9535.9 Ų35.950%0.49720%0.198SC..SBendtrans-81.6-10.9175.5-60.9-178000113.2V190 L220 A231 A234V190-L236 HydrophobicContact CG2-CB 4.15Å; L220-L236 HydrophobicContact CD2-CD1 3.71Å; A231-L236 HydrophobicContact CB-CB 4.35Å; A231-L236 HydrophobicContact CB-CD1 3.94Å; A231-L236 WeakPolarHBondContact O-CB 3.38Å; A231-L236 PolarHBondContact O-N 3.44Å; A234-L236 HydrophobicContact CB-CG 4.2Å
237G95.7Very high95.9Very high0 Ų035 Ų350%019%0.189CC..SBendtrans161.2-177.8-179.500000112.4A188 G235A188-G237 CarbonylContact O-C 3.52Å; A188-G237 WeakPolarHBondContact O-CA 3.16Å; G235-G237 VanDerWaalsContact C-N 3.3Å
238I97Very high95.8Very high0 Ų035.2 Ų35.20%019%0.187CC..BIsolated β-bridgetrans-80.1142170.4-55.7159000108.7N165 C166 A167 Y171 P178 L184 H187 A188 I189 V190 F203 V258N165-I238 HydrophobicContact CB-CG2 4.22Å; C166-I238 CarbonylContact O-C 3.57Å; C166-I238 WeakPolarHBondContact O-CA 3.34Å; A167-I238 HydrophobicContact CB-CG1 4.06Å; Y171-I238 HydrophobicContact CE1-CD1 4.34Å; Y171-I238 HydrophobicContact CE1-CG1 3.82Å; P178-I238 HydrophobicContact CG-CD1 3.9Å; L184-I238 HydrophobicContact CD2-CD1 3.73Å; H187-I238 HydrophobicContact CB-CD1 3.93Å; A188-I238 PolarHBondContact O-N 3.47Å; I189-I238 HydrophobicContact CD1-CB 3.61Å; I189-I238 HydrophobicContact CD1-CD1 4.03Å; I189-I238 HydrophobicContact CD1-CG1 4.32Å; I189-I238 HydrophobicContact CD1-CG2 4.17Å; V190-I238 PolarHBondContact N-O 2.82Å; F203-I238 HydrophobicContact CE2-CG2 4.13Å; I238-V258 HydrophobicContact CG1-CG2 4.4Å; I238-V258 HydrophobicContact CG2-CG2 3.83Å
239I96.6Very high95.9Very high0 Ų034.9 Ų34.90%019%0.187CC..EExtended strand (participates in β ladder)trans-120.1149.1175.755.9168.3000111N165 C166 V190 Y228 L229 I241 L255N165-I239 CarbonylContact C-O 3.45Å; N165-I239 VanDerWaalsContact CA-O 3.22Å; N165-I239 WeakPolarHBondContact CA-O 3.31Å; C166-I239 HydrophobicContact CB-CD1 4.49Å; C166-I239 HydrophobicContact CB-CG1 4.03Å; C166-I239 PolarHBondContact N-O 3.43Å; C166-I239 WeakPolarHBondContact O-CG1 3.18Å; C166-I239 PolarHBondContact O-N 3.43Å; V190-I239 HydrophobicContact CB-CG2 3.86Å; V190-I239 HydrophobicContact CG2-CG2 4.16Å; Y228-I239 HydrophobicContact CD1-CB 4.28Å; Y228-I239 HydrophobicContact CD1-CG2 4.34Å; Y228-I239 HydrophobicContact CD2-CG2 4.04Å; Y228-I239 HydrophobicContact CE1-CB 3.62Å; Y228-I239 HydrophobicContact CE1-CG2 3.98Å; Y228-I239 HydrophobicContact CE2-CB 4.14Å; Y228-I239 HydrophobicContact CE2-CG2 3.67Å; Y228-I239 HydrophobicContact CG-CG2 4.36Å; Y228-I239 VanDerWaalsContact OH-CA 3.3Å; Y228-I239 WeakPolarHBondContact OH-CA 3.2Å; L229-I239 HydrophobicContact CD1-CD1 4.48Å; I239-I241 HydrophobicContact CD1-CB 4.45Å; I239-I241 HydrophobicContact CD1-CD1 4.44Å; I239-I241 HydrophobicContact CD1-CG2 3.94Å; I239-I241 HydrophobicContact CG1-CG2 4.33Å; I239-L255 HydrophobicContact CD1-CD1 4.35Å
240Q95.7Very high96Very high23 Ų2335 Ų3511%0.10719%0.188CC..EExtended strand (participates in β ladder)trans-114.3105.6172.3-55.2-166.2-84.900109.2M163 V164 N165 F203 E204 Y228M163-Q240 HydrophobicContact CE-CB 4.49Å; M163-Q240 VanDerWaalsContact CE-O 3.3Å; M163-Q240 WeakPolarHBondContact CE-O 3.46Å; V164-Q240 WeakPolarHBondContact O-CA 3.43Å; N165-Q240 WeakPolarHBondContact OD1-CG 3.47Å; N165-Q240 PolarHBondContact OD1-NE2 3.4Å; F203-Q240 VanDerWaalsContact CD2-CD 3.45Å; F203-Q240 HydrophobicContact CD2-CG 3.74Å; F203-Q240 VanDerWaalsContact CE2-CD 3.47Å; F203-Q240 HydrophobicContact CE2-CG 3.51Å; F203-Q240 HydrophobicContact CZ-CG 4.22Å; E204-Q240 PolarHBondContact O-NE2 3.04Å; Y228-Q240 WeakPolarHBondContact CE1-O 3.05Å; Y228-Q240 PolarHBondContact OH-N 3.47Å
241I95.4Very high96Very high7 Ų739.8 Ų39.84%0.03620%0.198CC..EExtended strand (participates in β ladder)trans-140.5152.2-165-167.7169.8000110.7V164 Y228 L229 I239 R243 A245 V246V164-I241 HydrophobicContact CG2-CG2 4.47Å; V164-I241 WeakPolarHBondContact CG2-O 3.3Å; V164-I241 PolarHBondContact N-O 2.98Å; V164-I241 PolarHBondContact O-N 3.2Å; Y228-I241 HydrophobicContact CD1-CB 4.4Å; Y228-I241 HydrophobicContact CD1-CD1 4.17Å; Y228-I241 HydrophobicContact CD1-CG1 4.42Å; Y228-I241 HydrophobicContact CE1-CB 4.17Å; L229-I241 HydrophobicContact CB-CD1 4.14Å; L229-I241 HydrophobicContact CD1-CD1 4.48Å; I239-I241 HydrophobicContact CD1-CB 4.45Å; I239-I241 HydrophobicContact CD1-CD1 4.44Å; I239-I241 HydrophobicContact CD1-CG2 3.94Å; I239-I241 HydrophobicContact CG1-CG2 4.33Å; I241-R243 PolarHBondContact O-N 3.16Å; I241-A245 HydrophobicContact CD1-CB 4.09Å; I241-A245 HydrophobicContact CG1-CB 4.16Å; I241-V246 HydrophobicContact CD1-CG1 4.15Å; I241-V246 HydrophobicContact CG2-CB 4.42Å; I241-V246 HydrophobicContact CG2-CG1 3.51Å; I241-V246 HydrophobicContact CG2-CG2 4.02Å
242P94.7Very high96Very high23 Ų2342.6 Ų42.615%0.14922%0.221CC..EExtended strand (participates in β ladder)trans-54.4130.2172-31.638.6000112L161 T162 M163 I244 A245 L267L161-P242 HydrophobicContact CB-CB 4.3Å; L161-P242 HydrophobicContact CD1-CB 4.48Å; L161-P242 HydrophobicContact CD1-CG 4.43Å; T162-P242 WeakPolarHBondContact O-CA 3.45Å; M163-P242 HydrophobicContact SD-CB 4.44Å; M163-P242 HydrophobicContact SD-CG 3.77Å; P242-I244 HydrophobicContact CB-CG2 4Å; P242-I244 PolarHBondContact O-N 2.84Å; P242-I244 VanDerWaalsContact O-N 3.1Å; P242-A245 WeakPolarHBondContact O-CB 3.28Å; P242-A245 PolarHBondContact O-N 3.16Å; P242-L267 HydrophobicContact CG-CD1 3.97Å
243R95.1Very high96Very high100 Ų10044.4 Ų44.438%0.37724%0.24SC..Hα-helixtrans-53.5-36.7-179.3-168.9178.1-175.793.52.9112.4T162 V164 I241 A245 V246 R247 E257T162-R243 PolarHBondContact O-N 2.98Å; V164-R243 HydrophobicContact CG1-CB 3.84Å; V164-R243 HydrophobicContact CG1-CG 3.94Å; V164-R243 HydrophobicContact CG2-CB 4.06Å; V164-R243 HydrophobicContact CG2-CG 4.34Å; I241-R243 PolarHBondContact O-N 3.16Å; R243-A245 PolarHBondContact O-N 3.28Å; R243-V246 WeakPolarHBondContact O-CG2 3.32Å; R243-V246 PolarHBondContact O-N 2.94Å; R243-V246 VanDerWaalsContact O-N 3.16Å; R243-R247 PolarHBondContact O-N 3.1Å; R243-E257 IonicContact CZ-OE2 2.75Å; R243-E257 IonicContact NH1-OE1 3.94Å; R243-E257 PolarHBondContact NH1-OE1 2.86Å; R243-E257 IonicContact NH1-OE2 3.62Å; R243-E257 PolarHBondContact NH1-OE2 3.2Å; R243-E257 IonicContact NH2-OE2 3.6Å
244I92.7Very high96.1Very high22 Ų2248 Ų4811%0.11325%0.25CS..Hα-helixtrans-58-36.3178.6-167.165.3000112.5I102 L106 L161 P242 V246 H297I102-I244 HydrophobicContact CD1-CG2 4.22Å; L106-I244 HydrophobicContact CD1-CG1 4.46Å; L106-I244 HydrophobicContact CD2-CD1 3.89Å; L106-I244 HydrophobicContact CD2-CG1 3.88Å; L106-I244 HydrophobicContact CG-CG1 4.25Å; L161-I244 HydrophobicContact CD2-CG2 3.91Å; P242-I244 HydrophobicContact CB-CG2 4Å; P242-I244 PolarHBondContact O-N 2.84Å; P242-I244 VanDerWaalsContact O-N 3.1Å; I244-V246 VanDerWaalsContact C-N 3.3Å; I244-V246 PolarHBondContact O-N 3.03Å; I244-H297 HydrophobicContact CD1-CB 4.48Å
245A93.4Very high96.1Very high27 Ų2745.3 Ų45.322%0.22323%0.227CC..Hα-helixtrans-74.6-19.9-177.800000113.1I241 P242 R243I241-A245 HydrophobicContact CD1-CB 4.09Å; I241-A245 HydrophobicContact CG1-CB 4.16Å; P242-A245 WeakPolarHBondContact O-CB 3.28Å; P242-A245 PolarHBondContact O-N 3.16Å; R243-A245 PolarHBondContact O-N 3.28Å
246V95.2Very high96.2Very high0 Ų047 Ų470%023%0.233CC..Hα-helixtrans-114.21.9-177.8-70.10000113.9V164 L229 I241 R243 I244 E248 A249 L250 L255V164-V246 HydrophobicContact CG2-CG2 3.75Å; L229-V246 HydrophobicContact CD1-CG1 3.61Å; I241-V246 HydrophobicContact CD1-CG1 4.15Å; I241-V246 HydrophobicContact CG2-CB 4.42Å; I241-V246 HydrophobicContact CG2-CG1 3.51Å; I241-V246 HydrophobicContact CG2-CG2 4.02Å; R243-V246 WeakPolarHBondContact O-CG2 3.32Å; R243-V246 PolarHBondContact O-N 2.94Å; R243-V246 VanDerWaalsContact O-N 3.16Å; I244-V246 VanDerWaalsContact C-N 3.3Å; I244-V246 PolarHBondContact O-N 3.03Å; V246-E248 VanDerWaalsContact C-N 3.31Å; V246-E248 PolarHBondContact O-N 2.88Å; V246-A249 PolarHBondContact O-N 3.3Å; V246-L250 HydrophobicContact CB-CD1 4.39Å; V246-L250 HydrophobicContact CB-CG 4.32Å; V246-L250 HydrophobicContact CG2-CD1 3.75Å; V246-L250 HydrophobicContact CG2-CG 4.19Å; V246-L250 WeakPolarHBondContact O-CG 3.32Å; V246-L250 PolarHBondContact O-N 2.96Å; V246-L255 HydrophobicContact CB-CD1 4.08Å; V246-L255 HydrophobicContact CG1-CD1 3.59Å
247R94Very high96.3Very high101 Ų10145 Ų4538%0.38122%0.22SC..Hα-helixtrans-49.9-47.9-175-174.9174.666.6-162.2-2.9113.3R243 R251R243-R247 PolarHBondContact O-N 3.1Å; R247-R251 WeakPolarHBondContact O-CB 3.38Å; R247-R251 PolarHBondContact O-N 2.83Å
248E94.1Very high96.4Very high93 Ų9345.2 Ų45.244%0.43522%0.222SC..Hα-helixtrans-72.8-33.2179-64.1-54.4144.400112.9V246 R251 A252V246-E248 VanDerWaalsContact C-N 3.31Å; V246-E248 PolarHBondContact O-N 2.88Å; E248-R251 IonicContact OE1-CZ 3.67Å; E248-R251 IonicContact OE1-NH1 3.88Å; E248-R251 PolarHBondContact OE1-NH1 2.96Å; E248-R251 IonicContact OE1-NH2 3.47Å; E248-R251 IonicContact OE2-CZ 2.64Å; E248-R251 IonicContact OE2-NH1 2.7Å; E248-R251 PolarHBondContact OE2-NH1 3.25Å; E248-A252 WeakPolarHBondContact O-CB 3.41Å; E248-A252 PolarHBondContact O-N 2.91Å
249A97.5Very high96.4Very high5 Ų545.4 Ų45.44%0.04122%0.223CC..Hα-helixtrans-69.4-38.4176.400000111.7L233 V246 G253 R254 L255L233-A249 HydrophobicContact CD2-CB 4.14Å; V246-A249 PolarHBondContact O-N 3.3Å; A249-G253 PolarHBondContact O-N 3.23Å; A249-R254 HydrophobicContact CB-CB 4.49Å; A249-R254 PolarHBondContact O-N 2.86Å; A249-L255 HydrophobicContact CB-CB 4.24Å; A249-L255 HydrophobicContact CB-CD1 3.86Å; A249-L255 HydrophobicContact CB-CG 4.02Å; A249-L255 PolarHBondContact O-N 3.41Å; A249-L255 VanDerWaalsContact O-N 3.16Å
250L98Very high96.4Very high36 Ų3649.3 Ų49.319%0.18825%0.248CC..Hα-helixtrans-64.7-48.7172.3-70.5172.2000111V246 A252 G253 L255 E257V246-L250 HydrophobicContact CB-CD1 4.39Å; V246-L250 HydrophobicContact CB-CG 4.32Å; V246-L250 HydrophobicContact CG2-CD1 3.75Å; V246-L250 HydrophobicContact CG2-CG 4.19Å; V246-L250 WeakPolarHBondContact O-CG 3.32Å; V246-L250 PolarHBondContact O-N 2.96Å; L250-A252 VanDerWaalsContact C-N 3.29Å; L250-A252 PolarHBondContact O-N 2.78Å; L250-G253 PolarHBondContact O-N 3.43Å; L250-L255 HydrophobicContact CD2-CB 4.14Å; L250-E257 HydrophobicContact CD2-CB 4.26Å
251R97.5Very high96.4Very high172 Ų17251.6 Ų51.665%0.64928%0.278SS*.Hα-helixtrans-59.2-40.1177.8-173.4-173.2-69.6150.2-4.7112.2R247 E248 G253R247-R251 WeakPolarHBondContact O-CB 3.38Å; R247-R251 PolarHBondContact O-N 2.83Å; E248-R251 IonicContact OE1-CZ 3.67Å; E248-R251 IonicContact OE1-NH1 3.88Å; E248-R251 PolarHBondContact OE1-NH1 2.96Å; E248-R251 IonicContact OE1-NH2 3.47Å; E248-R251 IonicContact OE2-CZ 2.64Å; E248-R251 IonicContact OE2-NH1 2.7Å; E248-R251 PolarHBondContact OE2-NH1 3.25Å; R251-G253 VanDerWaalsContact C-N 3.26Å; R251-G253 PolarHBondContact O-N 3.12Å
252A98Very high96.4Very high65 Ų6555.6 Ų55.654%0.53729%0.293SS..THydrogen-bonded Turntrans-811178.500000113.9E248 L250 R254E248-A252 WeakPolarHBondContact O-CB 3.41Å; E248-A252 PolarHBondContact O-N 2.91Å; L250-A252 VanDerWaalsContact C-N 3.29Å; L250-A252 PolarHBondContact O-N 2.78Å; A252-R254 HydrophobicContact CB-CG 4.28Å; A252-R254 PolarHBondContact O-N 3.35Å
253G98.2Very high96.5Very high39 Ų3958.3 Ų58.340%0.40230%0.3SS..THydrogen-bonded Turntrans65.813.8-177.400000114.9P169 A249 L250 R251 L255P169-G253 WeakPolarHBondContact CG-O 3.3Å; A249-G253 PolarHBondContact O-N 3.23Å; L250-G253 PolarHBondContact O-N 3.43Å; R251-G253 VanDerWaalsContact C-N 3.26Å; R251-G253 PolarHBondContact O-N 3.12Å; G253-L255 VanDerWaalsContact C-N 3.33Å
254R98.5Very high96.5Very high128 Ų12853.7 Ų53.748%0.48328%0.284SS..SBendtrans-77.5-23.7176.2-67.6-172.6-68.3121.9-1.3112.4P169 L233 A249 A252P169-R254 VanDerWaalsContact CD-O 3.23Å; P169-R254 WeakPolarHBondContact CD-O 3.2Å; L233-R254 HydrophobicContact CD2-CB 3.8Å; A249-R254 HydrophobicContact CB-CB 4.49Å; A249-R254 PolarHBondContact O-N 2.86Å; A252-R254 HydrophobicContact CB-CG 4.28Å; A252-R254 PolarHBondContact O-N 3.35Å
255L98.7Very high96.5Very high2 Ų256.4 Ų56.41%0.0130%0.296CS..SBendtrans-125.3147.9165.7-71175.9000108.5C166 L229 L233 I239 V246 A249 L250 G253C166-L255 HydrophobicContact CB-CB 4.23Å; C166-L255 HydrophobicContact CB-CD1 4.19Å; C166-L255 HydrophobicContact CB-CD2 4.43Å; L229-L255 HydrophobicContact CD1-CD1 3.89Å; L233-L255 HydrophobicContact CD2-CD1 4.23Å; L233-L255 HydrophobicContact CD2-CD2 4.17Å; L233-L255 HydrophobicContact CD2-CG 3.79Å; L233-L255 HydrophobicContact CG-CD1 4.44Å; L233-L255 HydrophobicContact CG-CD2 4.44Å; L233-L255 HydrophobicContact CG-CG 4.36Å; I239-L255 HydrophobicContact CD1-CD1 4.35Å; V246-L255 HydrophobicContact CB-CD1 4.08Å; V246-L255 HydrophobicContact CG1-CD1 3.59Å; A249-L255 HydrophobicContact CB-CB 4.24Å; A249-L255 HydrophobicContact CB-CD1 3.86Å; A249-L255 HydrophobicContact CB-CG 4.02Å; A249-L255 PolarHBondContact O-N 3.41Å; A249-L255 VanDerWaalsContact O-N 3.16Å; L250-L255 HydrophobicContact CD2-CB 4.14Å; G253-L255 VanDerWaalsContact C-N 3.33Å
256I98.6Very high96.5Very high50 Ų5057.2 Ų57.226%0.25630%0.299SS..EExtended strand (participates in β ladder)trans-118.5131.7173.7-62.7172.9000107.2C166 A167 P169 L172 Y177C166-I256 VanDerWaalsContact CA-O 3.32Å; C166-I256 WeakPolarHBondContact CA-O 3.25Å; A167-I256 PolarHBondContact N-O 2.89Å; A167-I256 PolarHBondContact O-N 3.14Å; P169-I256 HydrophobicContact CB-CD1 4.1Å; P169-I256 HydrophobicContact CG-CD1 3.87Å; P169-I256 HydrophobicContact CG-CG1 4.19Å; L172-I256 HydrophobicContact CD1-CB 3.8Å; L172-I256 HydrophobicContact CD1-CD1 4.03Å; L172-I256 HydrophobicContact CD1-CG1 4.43Å; L172-I256 HydrophobicContact CD1-CG2 4.08Å; Y177-I256 HydrophobicContact CE1-CG2 4.21Å
257E98.4Very high96.3Very high51 Ų5160 Ų6024%0.23831%0.313CS..EExtended strand (participates in β ladder)trans-68.4129.8173.3-173.4171.1-177.400109.1N165 R243 L250 P260 R263N165-E257 CarbonylContact O-C 3.57Å; N165-E257 WeakPolarHBondContact O-CA 3.45Å; R243-E257 IonicContact CZ-OE2 2.75Å; R243-E257 IonicContact NH1-OE1 3.94Å; R243-E257 PolarHBondContact NH1-OE1 2.86Å; R243-E257 IonicContact NH1-OE2 3.62Å; R243-E257 PolarHBondContact NH1-OE2 3.2Å; R243-E257 IonicContact NH2-OE2 3.6Å; L250-E257 HydrophobicContact CD2-CB 4.26Å; E257-P260 HydrophobicContact CG-CB 4.39Å; E257-R263 IonicContact OE1-CZ 3Å; E257-R263 IonicContact OE1-NE 3.33Å; E257-R263 IonicContact OE1-NH2 3.93Å; E257-R263 PolarHBondContact OE1-NH2 2.74Å
258V98.1Very high96.3Very high5 Ų557.6 Ų57.63%0.0331%0.312CS..EExtended strand (participates in β ladder)trans-123.7157.2178.3-63.60000109.7N165 L172 P178 I238 P260N165-V258 HydrophobicContact CB-CG2 4.07Å; N165-V258 WeakPolarHBondContact CB-O 3.27Å; N165-V258 PolarHBondContact ND2-O 3.37Å; N165-V258 PolarHBondContact O-N 2.82Å; L172-V258 HydrophobicContact CD1-CG1 3.99Å; L172-V258 HydrophobicContact CD2-CG1 3.91Å; P178-V258 HydrophobicContact CG-CB 4.21Å; P178-V258 HydrophobicContact CG-CG2 4.43Å; I238-V258 HydrophobicContact CG1-CG2 4.4Å; I238-V258 HydrophobicContact CG2-CG2 3.83Å; V258-P260 VanDerWaalsContact C-CD 3.45Å; V258-P260 VanDerWaalsContact C-N 3.33Å
259L97.1Very high96.3Very high5 Ų553.2 Ų53.23%0.02629%0.292CS..  trans46.848.5-179-61.6173.1000113.5N165 P178 L184 F203 G261 Y262N165-L259 PolarHBondContact ND2-O 3.43Å; N165-L259 VanDerWaalsContact ND2-O 3.13Å; P178-L259 HydrophobicContact CB-CD1 4.2Å; P178-L259 HydrophobicContact CB-CD2 4.08Å; P178-L259 HydrophobicContact CB-CG 4.12Å; P178-L259 HydrophobicContact CG-CD1 4.22Å; P178-L259 HydrophobicContact CG-CD2 4.45Å; P178-L259 HydrophobicContact CG-CG 4.03Å; P178-L259 WeakPolarHBondContact O-CD2 3.43Å; L184-L259 HydrophobicContact CD1-CD1 4.39Å; L184-L259 HydrophobicContact CD2-CD1 3.93Å; L184-L259 HydrophobicContact CG-CD1 4.3Å; F203-L259 HydrophobicContact CE1-CD1 4.19Å; F203-L259 HydrophobicContact CZ-CD1 3.83Å; L259-G261 PolarHBondContact O-N 2.89Å; L259-G261 VanDerWaalsContact O-N 3.13Å; L259-Y262 HydrophobicContact CB-CD2 4.17Å; L259-Y262 HydrophobicContact CD2-CD2 3.93Å; L259-Y262 HydrophobicContact CD2-CE2 4.38Å; L259-Y262 CarbonylContact O-C 3.53Å; L259-Y262 PolarHBondContact O-N 3.02Å
260P96Very high96.1Very high82 Ų8253.3 Ų53.353%0.53229%0.292SS..THydrogen-bonded Turntrans-63.8-21.9-173.126.4-35.7000113.7E257 V258 Y262E257-P260 HydrophobicContact CG-CB 4.39Å; V258-P260 VanDerWaalsContact C-CD 3.45Å; V258-P260 VanDerWaalsContact C-N 3.33Å; P260-Y262 VanDerWaalsContact C-N 3.33Å
261G94.9Very high96Very high70 Ų7051.7 Ų51.772%0.72228%0.284SS*.THydrogen-bonded Turntrans-81.3-5.5173.200000114.9L259L259-G261 PolarHBondContact O-N 2.89Å; L259-G261 VanDerWaalsContact O-N 3.13Å
262Y96.3Very high95.8Very high91 Ų9143.5 Ų43.536%0.35725%0.253SS..SBendtrans-12866.4-175-53.5-84.9000110.2N165 P181 V205 L259 P260N165-Y262 PolarHBondContact ND2-O 2.92Å; P181-Y262 HydrophobicContact CG-CD1 3.4Å; P181-Y262 HydrophobicContact CG-CD2 4.13Å; P181-Y262 HydrophobicContact CG-CE1 3.85Å; P181-Y262 HydrophobicContact CG-CG 3.55Å; V205-Y262 HydrophobicContact CG1-CD1 4.15Å; L259-Y262 HydrophobicContact CB-CD2 4.17Å; L259-Y262 HydrophobicContact CD2-CD2 3.93Å; L259-Y262 HydrophobicContact CD2-CE2 4.38Å; L259-Y262 CarbonylContact O-C 3.53Å; L259-Y262 PolarHBondContact O-N 3.02Å; P260-Y262 VanDerWaalsContact C-N 3.33Å
263R95.9Very high95.5Very high80 Ų8042.2 Ų42.230%0.30223%0.234SC..PPolyproline II helixtrans-86.5150.1-179.8-68.7177.6171.9178.50.1111M163 A206 E257M163-R263 VanDerWaalsContact O-CD 3.25Å; M163-R263 WeakPolarHBondContact O-CD 3.27Å; M163-R263 WeakPolarHBondContact O-CG 3.35Å; A206-R263 VanDerWaalsContact CB-O 3.31Å; A206-R263 WeakPolarHBondContact CB-O 3.24Å; A206-R263 PolarHBondContact N-O 2.94Å; E257-R263 IonicContact OE1-CZ 3Å; E257-R263 IonicContact OE1-NE 3.33Å; E257-R263 IonicContact OE1-NH2 3.93Å; E257-R263 PolarHBondContact OE1-NH2 2.74Å
264A94.7Very high95.1Very high4 Ų440.5 Ų40.53%0.03322%0.216CC..PPolyproline II helixtrans-65.2166.7164.400000111.1M163 E204M163-A264 HydrophobicContact CB-CB 4Å; M163-A264 HydrophobicContact CG-CB 4.26Å; E204-A264 HydrophobicContact CB-CB 3.9Å; E204-A264 HydrophobicContact CG-CB 4.09Å
265E93.1Very high94.4Very high79 Ų7940.8 Ų40.837%0.36922%0.223SC..PPolyproline II helixtrans-58.2139.4173-80.6-66.9138.300110.6M163 E204 A206 V211 L267M163-E265 WeakPolarHBondContact CG-O 3.29Å; E204-E265 PolarHBondContact OE1-N 3.12Å; A206-E265 HydrophobicContact CB-CG 4.09Å; A206-E265 WeakPolarHBondContact CB-OE1 3.22Å; V211-E265 HydrophobicContact CG2-CG 4.03Å; E265-L267 PolarHBondContact O-N 3.1Å
266P93.3Very high93.3Very high44 Ų4444.8 Ų44.829%0.28624%0.238SC..PPolyproline II helixtrans-58.4134.6173.4-23.533.7000111.2K160 L161 S268K160-P266 HydrophobicContact CB-CB 3.85Å; K160-P266 HydrophobicContact CD-CB 4.11Å; L161-P266 CarbonylContact O-C 3.53Å; L161-P266 VanDerWaalsContact O-CA 3.28Å; L161-P266 WeakPolarHBondContact O-CA 3.14Å; P266-S268 PolarHBondContact O-N 2.74Å
267L92.4Very high91.4Very high57 Ų5754.7 Ų54.730%0.29827%0.272SS..EExtended strand (participates in β ladder)trans-75.3116.5179.3-73.9177.4000110.2L161 M163 P242 E265 L269L161-L267 HydrophobicContact CB-CB 4.27Å; L161-L267 PolarHBondContact N-O 2.88Å; L161-L267 PolarHBondContact O-N 3.44Å; M163-L267 HydrophobicContact CE-CD1 3.99Å; M163-L267 HydrophobicContact CE-CG 4.33Å; M163-L267 HydrophobicContact CG-CG 4.18Å; M163-L267 HydrophobicContact SD-CB 4.38Å; M163-L267 HydrophobicContact SD-CD1 3.51Å; M163-L267 VanDerWaalsContact SD-CD1 3.51Å; M163-L267 HydrophobicContact SD-CG 3.61Å; P242-L267 HydrophobicContact CG-CD1 3.97Å; E265-L267 PolarHBondContact O-N 3.1Å; L267-L269 PolarHBondContact O-N 3.26Å
268S93.1Very high90.2Very high52 Ų5260.3 Ų60.336%0.36430%0.298SS..EExtended strand (participates in β ladder)trans-61.2129.4172.7-61.80000110.6T145 G146 P266T145-S268 CarbonylContact C-O 3.49Å; T145-S268 WeakPolarHBondContact CA-O 3.36Å; G146-S268 PolarHBondContact N-O 3.47Å; P266-S268 PolarHBondContact O-N 2.74Å
269L94Very high89.4Confident1 Ų161.8 Ų61.81%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-107.9131.5174-163.575.4000109.9I102 I143 R144 T145 L158 G159 L161 L267 M294 L298I102-L269 HydrophobicContact CG1-CD1 4.48Å; I143-L269 HydrophobicContact CG2-CD1 3.42Å; I143-L269 VanDerWaalsContact CG2-CD1 3.42Å; I143-L269 HydrophobicContact CG2-CD2 4.17Å; I143-L269 HydrophobicContact CG2-CG 3.84Å; R144-L269 CarbonylContact O-C 3.5Å; R144-L269 WeakPolarHBondContact O-CA 3.34Å; T145-L269 HydrophobicContact CG2-CD1 3.57Å; L158-L269 HydrophobicContact CD1-CD2 4.26Å; L158-L269 PolarHBondContact N-O 2.83Å; G159-L269 PolarHBondContact N-O 2.96Å; G159-L269 PolarHBondContact O-N 3.39Å; L161-L269 HydrophobicContact CD1-CD1 4.06Å; L267-L269 PolarHBondContact O-N 3.26Å; L269-M294 HydrophobicContact CD2-CG 4.32Å; L269-M294 HydrophobicContact CD2-SD 4.05Å; L269-L298 HydrophobicContact CB-CD1 4.44Å; L269-L298 HydrophobicContact CB-CD2 4.45Å; L269-L298 HydrophobicContact CD2-CD1 3.87Å; L269-L298 HydrophobicContact CD2-CD2 4Å
270S94.2Very high88.8Confident6 Ų662.2 Ų62.24%0.04231%0.309CS..EExtended strand (participates in β ladder)trans-136.1143.8-178.9-64.40000111.7I143 R144 R156I143-S270 CarbonylContact C-O 3.59Å; I143-S270 WeakPolarHBondContact CA-O 3.31Å; R144-S270 PolarHBondContact N-O 2.89Å; R144-S270 PolarHBondContact O-N 3.27Å; R156-S270 CarbonylContact O-C 3.32Å; R156-S270 WeakPolarHBondContact O-CA 3.37Å
271L94.5Very high88.3Confident2 Ų263.5 Ų63.51%0.0130%0.303CS..EExtended strand (participates in β ladder)trans-89.4118.7166.6177.867.3000108.7C141 I143 R156 L158 Y273 M287 L290C141-L271 HydrophobicContact CB-CD1 4.03Å; I143-L271 HydrophobicContact CD1-CB 4.2Å; I143-L271 HydrophobicContact CD1-CD1 3.77Å; R156-L271 HydrophobicContact CB-CB 4.44Å; R156-L271 PolarHBondContact N-O 3.04Å; R156-L271 PolarHBondContact O-N 2.91Å; L158-L271 HydrophobicContact CD1-CB 4.02Å; L158-L271 HydrophobicContact CD2-CB 4.12Å; L158-L271 HydrophobicContact CG-CB 4.06Å; L271-Y273 HydrophobicContact CG-CD1 4.38Å; L271-M287 HydrophobicContact CD1-CG 4.26Å; L271-M287 HydrophobicContact CD2-CB 3.76Å; L271-M287 HydrophobicContact CD2-CG 3.78Å; L271-M287 HydrophobicContact CD2-SD 3.84Å; L271-M287 HydrophobicContact CG-CG 4.44Å; L271-M287 HydrophobicContact CG-SD 4.31Å; L271-L290 HydrophobicContact CD1-CD2 4.4Å
272V93.5Very high88Confident0 Ų060.2 Ų60.20%027%0.269CS..EExtended strand (participates in β ladder)trans-117.3134.7-176.9-169.30000109.7I134 C141 V142 R144 L148 V153 I154 A155I134-V272 HydrophobicContact CD1-CB 4.03Å; I134-V272 HydrophobicContact CD1-CG1 3.5Å; I134-V272 VanDerWaalsContact CD1-CG1 3.5Å; C141-V272 CarbonylContact C-O 3.54Å; C141-V272 WeakPolarHBondContact CA-O 3.25Å; V142-V272 HydrophobicContact CG2-CB 3.74Å; V142-V272 PolarHBondContact N-O 3.46Å; V142-V272 PolarHBondContact O-N 2.95Å; R144-V272 HydrophobicContact CB-CG2 4.05Å; R144-V272 HydrophobicContact CG-CB 4.5Å; R144-V272 HydrophobicContact CG-CG2 3.85Å; L148-V272 HydrophobicContact CD2-CG2 3.88Å; V153-V272 HydrophobicContact CB-CG1 3.8Å; V153-V272 HydrophobicContact CG1-CG1 4.47Å; V153-V272 HydrophobicContact CG2-CG1 3.79Å; I154-V272 VanDerWaalsContact O-CA 3.28Å; I154-V272 WeakPolarHBondContact O-CA 3.25Å; A155-V272 HydrophobicContact CB-CG2 4.07Å
273Y92.1Very high87.7Confident38 Ų3856 Ų5615%0.14925%0.253CS..EExtended strand (participates in β ladder)trans-148.2156.9-178.653.8-86.8000110.9D140 V153 I154 R156 L271 Q275 L279 M287D140-Y273 WeakPolarHBondContact O-CB 3.41Å; V153-Y273 CarbonylContact C-O 3.56Å; V153-Y273 VanDerWaalsContact CA-O 3.3Å; V153-Y273 WeakPolarHBondContact CA-O 3.2Å; V153-Y273 WeakPolarHBondContact CB-O 3.42Å; I154-Y273 HydrophobicContact CB-CD2 4.22Å; I154-Y273 HydrophobicContact CB-CE1 4.18Å; I154-Y273 HydrophobicContact CB-CE2 3.71Å; I154-Y273 HydrophobicContact CD1-CE2 3.68Å; I154-Y273 HydrophobicContact CG1-CE2 4.24Å; I154-Y273 HydrophobicContact CG2-CE1 4.01Å; I154-Y273 HydrophobicContact CG2-CE2 4.09Å; I154-Y273 WeakPolarHBondContact CG2-OH 3.26Å; I154-Y273 PolarHBondContact N-O 2.86Å; I154-Y273 PolarHBondContact O-N 3.37Å; R156-Y273 HydrophobicContact CB-CE1 4.46Å; L271-Y273 HydrophobicContact CG-CD1 4.38Å; Y273-Q275 PolarHBondContact O-N 3.43Å; Y273-L279 HydrophobicContact CD2-CD1 3.68Å; Y273-L279 HydrophobicContact CD2-CD2 4.12Å; Y273-L279 HydrophobicContact CD2-CG 4.45Å; Y273-L279 HydrophobicContact CE2-CD1 3.68Å; Y273-L279 HydrophobicContact CG-CD1 4.46Å; Y273-M287 HydrophobicContact CD1-SD 3.66Å; Y273-M287 HydrophobicContact CE1-SD 4.13Å; Y273-M287 HydrophobicContact CG-SD 3.9Å
274P88.7Confident87.5Confident4 Ų455.7 Ų55.73%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-55.8137178.1-26.235.7000112.5I134 L135 F139 D140 R276I134-P274 HydrophobicContact CG2-CG 4Å; L135-P274 HydrophobicContact CD2-CB 3.78Å; L135-P274 HydrophobicContact CD2-CG 4.09Å; F139-P274 WeakPolarHBondContact O-CG 3.46Å; D140-P274 VanDerWaalsContact O-CD 3.25Å; D140-P274 WeakPolarHBondContact O-CD 3.42Å; P274-R276 VanDerWaalsContact C-N 3.33Å; P274-R276 HydrophobicContact CB-CG 4.07Å; P274-R276 PolarHBondContact O-N 3.37Å
275Q84.7Confident87.4Confident133 Ų13357.6 Ų57.662%0.62127%0.267SS*.  trans-73.287.7172.5-170.9174.518.100109.4G152 I154 Y273G152-Q275 WeakPolarHBondContact O-CB 3.37Å; G152-Q275 PolarHBondContact O-N 3.06Å; I154-Q275 HydrophobicContact CD1-CB 4.32Å; I154-Q275 HydrophobicContact CD1-CG 4.01Å; I154-Q275 HydrophobicContact CG1-CB 4.02Å; I154-Q275 HydrophobicContact CG1-CG 3.97Å; Y273-Q275 PolarHBondContact O-N 3.43Å
276R74.9Confident87.5Confident87 Ų8753.8 Ų53.833%0.32825%0.249SC..  trans-108.6154.7175-62.3-178.6-174.6-179.75.6109.8D71 P274 E278 L279D71-R276 IonicContact OD2-NH2 3.69Å; P274-R276 VanDerWaalsContact C-N 3.33Å; P274-R276 HydrophobicContact CB-CG 4.07Å; P274-R276 PolarHBondContact O-N 3.37Å; R276-E278 VanDerWaalsContact C-N 3.31Å; R276-E278 PolarHBondContact O-N 2.85Å; R276-L279 HydrophobicContact CB-CD2 4.4Å
277R60.1Low87.6Confident258 Ų25852.2 Ų52.297%0.97424%0.238SC*.SBendtrans-59.7-42.4175.6-78.3-173.7175.2-178-1.3111.9
278E72.1Confident87.7Confident169 Ų16956.1 Ų56.179%0.7926%0.255SS*.SBendtrans-140127.3178-64.8-175.6-178.900109.4R276R276-E278 VanDerWaalsContact C-N 3.31Å; R276-E278 PolarHBondContact O-N 2.85Å
279L82.3Confident87.8Confident36 Ų3655.7 Ų55.719%0.18825%0.245CC..  trans-83.5145.3170.7-63.1174.2000109Y273 R276 V283 N284 M287Y273-L279 HydrophobicContact CD2-CD1 3.68Å; Y273-L279 HydrophobicContact CD2-CD2 4.12Å; Y273-L279 HydrophobicContact CD2-CG 4.45Å; Y273-L279 HydrophobicContact CE2-CD1 3.68Å; Y273-L279 HydrophobicContact CG-CD1 4.46Å; R276-L279 HydrophobicContact CB-CD2 4.4Å; L279-V283 HydrophobicContact CB-CG1 4.5Å; L279-V283 HydrophobicContact CD1-CG1 4.45Å; L279-N284 PolarHBondContact O-ND2 3.13Å; L279-M287 HydrophobicContact CD1-CE 3.32Å; L279-M287 HydrophobicContact CD1-SD 4.34Å
280S83.6Confident87.9Confident14 Ų1455.8 Ų55.810%0.09825%0.245CC..  trans-61.7156.3174.861.50000111N75 E78 R282 V283 N284N75-S280 WeakPolarHBondContact OD1-CB 3.41Å; E78-S280 WeakPolarHBondContact OE2-CB 3.29Å; S280-R282 VanDerWaalsContact C-N 3.27Å; S280-R282 PolarHBondContact O-N 3.11Å; S280-R282 WeakPolarHBondContact OG-CG 3.32Å; S280-V283 PolarHBondContact O-N 2.6Å; S280-V283 WeakPolarHBondContact OG-CG2 3.43Å; S280-N284 PolarHBondContact O-N 2.75Å; S280-N284 VanDerWaalsContact O-N 3.11Å; S280-N284 PolarHBondContact O-ND2 2.79Å
281R85Confident87.9Confident108 Ų10856.2 Ų56.241%0.40825%0.25SC..Hα-helixtrans-63.1-38.6-176.1-171.2178.4177.5-170-2110.9E78 I90 V283 N284 L285E78-R281 PolarHBondContact OE2-N 2.96Å; I90-R281 HydrophobicContact CD1-CG 4.09Å; R281-V283 PolarHBondContact O-N 3.16Å; R281-N284 PolarHBondContact O-N 3.18Å; R281-L285 HydrophobicContact CG-CD1 4.17Å; R281-L285 WeakPolarHBondContact O-CG 3.37Å; R281-L285 PolarHBondContact O-N 2.77Å
282R89.1Confident88Confident2 Ų258 Ų581%0.00827%0.268CS..Hα-helixtrans-59.6-42.1176.163.8-177.3-170.7-83.81.5112.7S74 N75 E78 I90 K93 L94 I121 S280 F286S74-R282 VanDerWaalsContact OG-CZ 3.29Å; S74-R282 PolarHBondContact OG-NH1 3.42Å; N75-R282 PolarHBondContact OD1-NH1 3.23Å; E78-R282 VanDerWaalsContact OE1-CD 3.29Å; E78-R282 WeakPolarHBondContact OE1-CD 3.21Å; E78-R282 WeakPolarHBondContact OE1-CG 3.45Å; E78-R282 IonicContact OE1-CZ 2.72Å; E78-R282 IonicContact OE1-NE 3.94Å; E78-R282 IonicContact OE1-NH1 3.7Å; E78-R282 PolarHBondContact OE1-NH1 3.05Å; I90-R282 HydrophobicContact CG2-CB 3.93Å; K93-R282 PolarHBondContact O-NE 2.8Å; L94-R282 HydrophobicContact CD1-CB 4.45Å; L94-R282 HydrophobicContact CD2-CB 4.24Å; L94-R282 HydrophobicContact CD2-CG 3.72Å; L94-R282 HydrophobicContact CG-CB 4.4Å; L94-R282 HydrophobicContact CG-CG 4.24Å; I121-R282 HydrophobicContact CD1-CB 4Å; I121-R282 HydrophobicContact CG1-CB 4.49Å; S280-R282 VanDerWaalsContact C-N 3.27Å; S280-R282 PolarHBondContact O-N 3.11Å; S280-R282 WeakPolarHBondContact OG-CG 3.32Å; R282-F286 WeakPolarHBondContact O-CB 3.23Å; R282-F286 PolarHBondContact O-N 2.89Å
283V91.4Very high88Confident3 Ų358.2 Ų58.22%0.01827%0.27CS..Hα-helixtrans-67.1-46.5178.8175.80000110.3L94 D140 L279 S280 R281 L285 F286 M287L94-V283 HydrophobicContact CD2-CB 4.3Å; L94-V283 HydrophobicContact CD2-CG2 3.41Å; L94-V283 VanDerWaalsContact CD2-CG2 3.41Å; D140-V283 HydrophobicContact CB-CG1 4.41Å; D140-V283 HydrophobicContact CB-CG2 3.69Å; L279-V283 HydrophobicContact CB-CG1 4.5Å; L279-V283 HydrophobicContact CD1-CG1 4.45Å; S280-V283 PolarHBondContact O-N 2.6Å; S280-V283 WeakPolarHBondContact OG-CG2 3.43Å; R281-V283 PolarHBondContact O-N 3.16Å; V283-L285 PolarHBondContact O-N 3.06Å; V283-F286 PolarHBondContact O-N 2.76Å; V283-M287 HydrophobicContact CG1-CE 4.1Å; V283-M287 HydrophobicContact CG1-CG 4.19Å; V283-M287 HydrophobicContact CG1-SD 4.07Å; V283-M287 WeakPolarHBondContact O-CB 3.31Å; V283-M287 VanDerWaalsContact O-CG 3.24Å; V283-M287 WeakPolarHBondContact O-CG 3.2Å; V283-M287 PolarHBondContact O-N 3.15Å
284N90.9Very high87.9Confident73 Ų7356.4 Ų56.439%0.3926%0.262SS..Hα-helixtrans-58.9-46.3177.8-80.3-49.9000112.8L279 S280 R281 M287 Q288L279-N284 PolarHBondContact O-ND2 3.13Å; S280-N284 PolarHBondContact O-N 2.75Å; S280-N284 VanDerWaalsContact O-N 3.11Å; S280-N284 PolarHBondContact O-ND2 2.79Å; R281-N284 PolarHBondContact O-N 3.18Å; N284-M287 PolarHBondContact O-N 2.92Å; N284-Q288 WeakPolarHBondContact O-CB 3.35Å; N284-Q288 PolarHBondContact O-N 3.13Å
285L92.1Very high87.9Confident43 Ų4364.3 Ų64.323%0.22530%0.296CS..Hα-helixtrans-62.5-45.9178.4-75170.5000112I90 R281 V283 Q288 W289I90-L285 HydrophobicContact CD1-CD1 3.16Å; I90-L285 HydrophobicContact CG2-CD1 4.44Å; R281-L285 HydrophobicContact CG-CD1 4.17Å; R281-L285 WeakPolarHBondContact O-CG 3.37Å; R281-L285 PolarHBondContact O-N 2.77Å; V283-L285 PolarHBondContact O-N 3.06Å; L285-Q288 PolarHBondContact O-N 3.47Å; L285-W289 WeakPolarHBondContact O-CB 3.46Å; L285-W289 PolarHBondContact O-N 2.85Å
286F95.7Very high88Confident0 Ų063.7 Ų63.70%029%0.293CS..Hα-helixtrans-62.8-45.7178.1-179.7-99.4000111.8L94 I96 L107 L111 F114 L123 R282 V283 Q288 W289 L290L94-F286 HydrophobicContact CD1-CB 3.55Å; L94-F286 HydrophobicContact CD1-CD2 4.26Å; L94-F286 HydrophobicContact CD1-CG 3.86Å; I96-F286 HydrophobicContact CB-CE1 4.46Å; I96-F286 HydrophobicContact CD1-CE1 3.66Å; I96-F286 HydrophobicContact CD1-CE2 4.3Å; I96-F286 HydrophobicContact CD1-CZ 3.32Å; I96-F286 HydrophobicContact CG2-CD1 4.18Å; I96-F286 HydrophobicContact CG2-CE1 3.72Å; I96-F286 HydrophobicContact CG2-CZ 4.38Å; L107-F286 HydrophobicContact CD1-CE2 4.41Å; L107-F286 HydrophobicContact CD1-CZ 3.81Å; L111-F286 HydrophobicContact CD1-CE2 4.46Å; F114-F286 HydrophobicContact CD1-CD2 4.01Å; F114-F286 HydrophobicContact CD2-CD2 4.45Å; F114-F286 HydrophobicContact CE1-CB 4.39Å; F114-F286 AromaticContact CE1-CD2 3.68Å; F114-F286 HydrophobicContact CE1-CD2 3.68Å; F114-F286 HydrophobicContact CE2-CB 4.13Å; F114-F286 HydrophobicContact CE2-CD2 4.14Å; F114-F286 HydrophobicContact CG-CD2 4.39Å; F114-F286 HydrophobicContact CZ-CB 3.72Å; F114-F286 AromaticContact CZ-CD2 3.75Å; F114-F286 HydrophobicContact CZ-CD2 3.75Å; F114-F286 HydrophobicContact CZ-CG 4.24Å; L123-F286 HydrophobicContact CD1-CD2 4.02Å; L123-F286 HydrophobicContact CD1-CE2 3.48Å; L123-F286 VanDerWaalsContact CD1-CE2 3.48Å; L123-F286 HydrophobicContact CD1-CZ 3.93Å; R282-F286 WeakPolarHBondContact O-CB 3.23Å; R282-F286 PolarHBondContact O-N 2.89Å; V283-F286 PolarHBondContact O-N 2.76Å; F286-Q288 VanDerWaalsContact C-N 3.34Å; F286-Q288 PolarHBondContact O-N 2.88Å; F286-W289 HydrophobicContact CD2-CE3 4.01Å; F286-W289 HydrophobicContact CD2-CZ3 4.29Å; F286-W289 AromaticContact CE2-CE3 3.8Å; F286-W289 HydrophobicContact CE2-CE3 3.8Å; F286-W289 AromaticContact CE2-CZ3 3.62Å; F286-W289 HydrophobicContact CE2-CZ3 3.62Å; F286-W289 HydrophobicContact CZ-CZ3 4.22Å; F286-W289 PolarHBondContact O-N 3.27Å; F286-L290 HydrophobicContact CE1-CB 4.39Å; F286-L290 HydrophobicContact CE1-CD2 3.74Å; F286-L290 HydrophobicContact CZ-CD2 4.08Å; F286-L290 WeakPolarHBondContact O-CB 3.45Å; F286-L290 PolarHBondContact O-N 3.35Å
287M95.2Very high88.5Confident10 Ų1062.6 Ų62.65%0.04929%0.292CS..Hα-helixtrans-60.8-41176.7-76-165.2-47.900112.6C141 L271 Y273 L279 V283 N284 A291C141-M287 HydrophobicContact CB-CG 3.95Å; C141-M287 HydrophobicContact CB-SD 4.04Å; L271-M287 HydrophobicContact CD1-CG 4.26Å; L271-M287 HydrophobicContact CD2-CB 3.76Å; L271-M287 HydrophobicContact CD2-CG 3.78Å; L271-M287 HydrophobicContact CD2-SD 3.84Å; L271-M287 HydrophobicContact CG-CG 4.44Å; L271-M287 HydrophobicContact CG-SD 4.31Å; Y273-M287 HydrophobicContact CD1-SD 3.66Å; Y273-M287 HydrophobicContact CE1-SD 4.13Å; Y273-M287 HydrophobicContact CG-SD 3.9Å; L279-M287 HydrophobicContact CD1-CE 3.32Å; L279-M287 HydrophobicContact CD1-SD 4.34Å; V283-M287 HydrophobicContact CG1-CE 4.1Å; V283-M287 HydrophobicContact CG1-CG 4.19Å; V283-M287 HydrophobicContact CG1-SD 4.07Å; V283-M287 WeakPolarHBondContact O-CB 3.31Å; V283-M287 VanDerWaalsContact O-CG 3.24Å; V283-M287 WeakPolarHBondContact O-CG 3.2Å; V283-M287 PolarHBondContact O-N 3.15Å; N284-M287 PolarHBondContact O-N 2.92Å; M287-A291 VanDerWaalsContact O-CB 3.3Å; M287-A291 WeakPolarHBondContact O-CB 3.44Å; M287-A291 PolarHBondContact O-N 3.18Å
288Q94.6Very high89.6Confident140 Ų14051.4 Ų51.465%0.65425%0.251SS*.Hα-helixtrans-65-48177-178.2178.73.400111.3N284 L285 F286 A291 G292N284-Q288 WeakPolarHBondContact O-CB 3.35Å; N284-Q288 PolarHBondContact O-N 3.13Å; L285-Q288 PolarHBondContact O-N 3.47Å; F286-Q288 VanDerWaalsContact C-N 3.34Å; F286-Q288 PolarHBondContact O-N 2.88Å; Q288-A291 PolarHBondContact O-N 3.37Å; Q288-G292 PolarHBondContact O-N 2.96Å; Q288-G292 VanDerWaalsContact O-N 3.12Å
289W96Very high89.9Confident43 Ų4350.6 Ų50.616%0.16325%0.253CS..Hα-helixtrans-59.9-48.5176.4170.481000111.3L107 R110 L111 F114 L285 F286 A291 G292 V293L107-W289 HydrophobicContact CD1-CZ3 4.36Å; R110-W289 HydrophobicContact CB-CH2 4.46Å; R110-W289 HydrophobicContact CB-CZ2 3.93Å; R110-W289 WeakPolarHBondContact O-CZ2 3.39Å; L111-W289 HydrophobicContact CB-CH2 4.41Å; L111-W289 HydrophobicContact CD1-CH2 4.1Å; L111-W289 HydrophobicContact CD1-CZ3 4.25Å; F114-W289 HydrophobicContact CB-CD2 3.71Å; F114-W289 HydrophobicContact CB-CE3 4.03Å; F114-W289 HydrophobicContact CB-CG 4.22Å; F114-W289 HydrophobicContact CB-CH2 4.16Å; F114-W289 HydrophobicContact CB-CZ2 3.83Å; F114-W289 HydrophobicContact CB-CZ3 4.25Å; F114-W289 HydrophobicContact CD2-CB 3.74Å; F114-W289 AromaticContact CD2-CD2 3.69Å; F114-W289 HydrophobicContact CD2-CD2 3.69Å; F114-W289 AromaticContact CD2-CE3 3.98Å; F114-W289 HydrophobicContact CD2-CE3 3.98Å; F114-W289 AromaticContact CD2-CG 3.56Å; F114-W289 HydrophobicContact CD2-CG 3.56Å; F114-W289 HydrophobicContact CE2-CB 4.11Å; F114-W289 HydrophobicContact CE2-CG 4.4Å; F114-W289 AromaticContact CG-CD2 3.95Å; F114-W289 HydrophobicContact CG-CD2 3.95Å; F114-W289 HydrophobicContact CG-CE3 4.04Å; F114-W289 HydrophobicContact CG-CG 4.27Å; L285-W289 WeakPolarHBondContact O-CB 3.46Å; L285-W289 PolarHBondContact O-N 2.85Å; F286-W289 HydrophobicContact CD2-CE3 4.01Å; F286-W289 HydrophobicContact CD2-CZ3 4.29Å; F286-W289 AromaticContact CE2-CE3 3.8Å; F286-W289 HydrophobicContact CE2-CE3 3.8Å; F286-W289 AromaticContact CE2-CZ3 3.62Å; F286-W289 HydrophobicContact CE2-CZ3 3.62Å; F286-W289 HydrophobicContact CZ-CZ3 4.22Å; F286-W289 PolarHBondContact O-N 3.27Å; W289-A291 PolarHBondContact O-N 2.89Å; W289-G292 WeakPolarHBondContact O-CA 3.21Å; W289-G292 PolarHBondContact O-N 3.33Å; W289-V293 HydrophobicContact CD2-CG2 4.2Å; W289-V293 HydrophobicContact CH2-CG2 4.24Å; W289-V293 HydrophobicContact CZ2-CG2 3.69Å; W289-V293 PolarHBondContact O-N 3.14Å
290L95.8Very high90.2Very high2 Ų251.4 Ų51.41%0.0126%0.256CS..Hα-helixtrans-61-43.4-179.5-174.360.3000111.7I98 L107 I143 L271 F286 G292 V293 M294I98-L290 HydrophobicContact CD1-CD1 4.35Å; I98-L290 HydrophobicContact CD1-CD2 4.03Å; L107-L290 HydrophobicContact CD1-CD1 3.79Å; I143-L290 HydrophobicContact CD1-CD2 3.77Å; I143-L290 HydrophobicContact CD1-CG 4.36Å; I143-L290 HydrophobicContact CG1-CD2 3.84Å; L271-L290 HydrophobicContact CD1-CD2 4.4Å; F286-L290 HydrophobicContact CE1-CB 4.39Å; F286-L290 HydrophobicContact CE1-CD2 3.74Å; F286-L290 HydrophobicContact CZ-CD2 4.08Å; F286-L290 WeakPolarHBondContact O-CB 3.45Å; F286-L290 PolarHBondContact O-N 3.35Å; L290-G292 VanDerWaalsContact C-N 3.26Å; L290-G292 PolarHBondContact O-N 3.2Å; L290-V293 PolarHBondContact O-N 2.97Å; L290-M294 HydrophobicContact CD1-CE 3.64Å; L290-M294 HydrophobicContact CG-CE 4.2Å; L290-M294 VanDerWaalsContact O-CG 3.27Å; L290-M294 WeakPolarHBondContact O-CG 3.2Å; L290-M294 PolarHBondContact O-N 2.91Å
291A94.7Very high90.6Very high16 Ų1653.3 Ų53.313%0.13226%0.264CS..Hα-helixtrans-60.6-37175.200000112.1L158 M287 Q288 W289 M294 K295L158-A291 HydrophobicContact CD2-CB 3.83Å; M287-A291 VanDerWaalsContact O-CB 3.3Å; M287-A291 WeakPolarHBondContact O-CB 3.44Å; M287-A291 PolarHBondContact O-N 3.18Å; Q288-A291 PolarHBondContact O-N 3.37Å; W289-A291 PolarHBondContact O-N 2.89Å; A291-M294 PolarHBondContact O-N 2.88Å; A291-K295 WeakPolarHBondContact O-CB 3.33Å; A291-K295 PolarHBondContact O-N 2.75Å
292G94.7Very high90.9Very high38 Ų3850.3 Ų50.339%0.39226%0.256SS..Hα-helixtrans-60.7-50.3172.900000112.5Q288 W289 L290 M294 K295Q288-G292 PolarHBondContact O-N 2.96Å; Q288-G292 VanDerWaalsContact O-N 3.12Å; W289-G292 WeakPolarHBondContact O-CA 3.21Å; W289-G292 PolarHBondContact O-N 3.33Å; L290-G292 VanDerWaalsContact C-N 3.26Å; L290-G292 PolarHBondContact O-N 3.2Å; G292-M294 VanDerWaalsContact C-N 3.3Å; G292-M294 PolarHBondContact O-N 3.07Å; G292-K295 PolarHBondContact O-N 3.5Å
293V93.5Very high91Very high6 Ų653.1 Ų53.14%0.03627%0.271CS..Hα-helixtrans-58.4-41.9177.41730000111.9L106 R110 W289 L290 H297L106-V293 WeakPolarHBondContact O-CG1 3.49Å; R110-V293 HydrophobicContact CB-CG1 4.32Å; R110-V293 HydrophobicContact CB-CG2 4.23Å; R110-V293 HydrophobicContact CG-CG1 4.13Å; W289-V293 HydrophobicContact CD2-CG2 4.2Å; W289-V293 HydrophobicContact CH2-CG2 4.24Å; W289-V293 HydrophobicContact CZ2-CG2 3.69Å; W289-V293 PolarHBondContact O-N 3.14Å; L290-V293 PolarHBondContact O-N 2.97Å; V293-H297 PolarHBondContact O-ND1 3.05Å
294M91.7Very high91Very high0 Ų056.3 Ų56.30%029%0.286CS..Hα-helixtrans-68.2-42.4-179.7-66-58.5177.100112I102 L106 I143 L158 L269 L290 A291 G292 E296 H297 L298I102-M294 HydrophobicContact CG2-CE 3.35Å; I102-M294 HydrophobicContact CG2-SD 3.89Å; L106-M294 HydrophobicContact CB-CE 4.44Å; L106-M294 HydrophobicContact CB-SD 4.06Å; L106-M294 HydrophobicContact CD1-SD 3.52Å; L106-M294 VanDerWaalsContact CD1-SD 3.52Å; L106-M294 HydrophobicContact CG-SD 4.44Å; I143-M294 HydrophobicContact CD1-CE 4.46Å; I143-M294 HydrophobicContact CG1-CE 4.25Å; L158-M294 HydrophobicContact CD1-CB 4.21Å; L158-M294 HydrophobicContact CD1-CG 4Å; L269-M294 HydrophobicContact CD2-CG 4.32Å; L269-M294 HydrophobicContact CD2-SD 4.05Å; L290-M294 HydrophobicContact CD1-CE 3.64Å; L290-M294 HydrophobicContact CG-CE 4.2Å; L290-M294 VanDerWaalsContact O-CG 3.27Å; L290-M294 WeakPolarHBondContact O-CG 3.2Å; L290-M294 PolarHBondContact O-N 2.91Å; A291-M294 PolarHBondContact O-N 2.88Å; G292-M294 VanDerWaalsContact C-N 3.3Å; G292-M294 PolarHBondContact O-N 3.07Å; M294-E296 PolarHBondContact O-N 3.45Å; M294-E296 VanDerWaalsContact O-N 3.11Å; M294-H297 PolarHBondContact O-N 3.38Å; M294-L298 HydrophobicContact CB-CD1 3.97Å; M294-L298 WeakPolarHBondContact O-CG 3.35Å; M294-L298 PolarHBondContact O-N 2.89Å
295K88.3Confident91Very high169 Ų16955.1 Ų55.174%0.73528%0.28SS*.Hα-helixtrans-59.7-26.6-176-168.9177-179.7-1770113.7A291 G292 H297A291-K295 WeakPolarHBondContact O-CB 3.33Å; A291-K295 PolarHBondContact O-N 2.75Å; G292-K295 PolarHBondContact O-N 3.5Å; K295-H297 PolarHBondContact O-N 3.15Å
296E86.3Confident90.9Very high120 Ų12056 Ų5656%0.56128%0.283SS*.THydrogen-bonded Turntrans-66-14.2175.2-66.8177.2-178.900113.7R110 M294R110-E296 IonicContact CZ-OE2 3.72Å; R110-E296 IonicContact NH2-OE1 2.74Å; R110-E296 PolarHBondContact NH2-OE1 3.09Å; R110-E296 IonicContact NH2-OE2 3.67Å; R110-E296 PolarHBondContact NH2-OE2 3.16Å; M294-E296 PolarHBondContact O-N 3.45Å; M294-E296 VanDerWaalsContact O-N 3.11Å
297H84.8Confident90.5Very high64 Ų6460.3 Ų60.330%0.29631%0.305SS..THydrogen-bonded Turntrans-130.92.5-166.2-6490.9000114.7L106 I244 V293 M294 K295L106-H297 HydrophobicContact CD1-CB 4.07Å; L106-H297 HydrophobicContact CD2-CB 3.74Å; I244-H297 HydrophobicContact CD1-CB 4.48Å; V293-H297 PolarHBondContact O-ND1 3.05Å; M294-H297 PolarHBondContact O-N 3.38Å; K295-H297 PolarHBondContact O-N 3.15Å
298L84.7Confident90.1Very high23 Ų2364.5 Ų64.512%0.1233%0.327CS..  trans-110.7153.2-178.3-60.9173.9000110.6L158 L161 L269 M294L158-L298 HydrophobicContact CB-CD1 3.91Å; L158-L298 WeakPolarHBondContact O-CD1 3.18Å; L161-L298 HydrophobicContact CD2-CD2 3.37Å; L161-L298 HydrophobicContact CG-CD2 3.75Å; L269-L298 HydrophobicContact CB-CD1 4.44Å; L269-L298 HydrophobicContact CB-CD2 4.45Å; L269-L298 HydrophobicContact CD2-CD1 3.87Å; L269-L298 HydrophobicContact CD2-CD2 4Å; M294-L298 HydrophobicContact CB-CD1 3.97Å; M294-L298 WeakPolarHBondContact O-CG 3.35Å; M294-L298 PolarHBondContact O-N 2.89Å
299D76.8Confident89.7Confident153 Ų15357.6 Ų57.682%0.81830%0.297SS*.  trans-79.10165.4-58.9-37.9000110.7K160 T162K160-D299 PolarHBondContact N-O 3Å; K160-D299 VanDerWaalsContact N-O 3.12Å; K160-D299 PolarHBondContact O-N 3.12Å; K160-D299 VanDerWaalsContact O-N 3.1Å; T162-D299 PolarHBondContact OG1-OD2 3.13Å

Retrieved 299 of 299 residues in 1030.3 ms (Link to these results)

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