G4VDY8_SCHMA Loading...

Putative dachshund homolog

May play a role in cellular stress response.

AlphaFold DB , UniProt , Accession G4VDY8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 396 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
1M58Low84.6Confident153 Ų15344.3 Ų44.375%0.75423%0.227SC*.  0134.10-78.6-177.5-83.700108.2E5 I6M1-E5 WeakPolarHBondContact CA-OE2 3.36Å; M1-E5 HydrophobicContact CB-CB 4.18Å; M1-E5 WeakPolarHBondContact CB-OE2 3.3Å; M1-E5 HydrophobicContact CG-CB 4.36Å; M1-I6 HydrophobicContact CB-CD1 4.19Å; M1-I6 HydrophobicContact CB-CG1 3.69Å; M1-I6 HydrophobicContact SD-CG1 4.33Å
2D81.1Confident84.8Confident59 Ų5950.8 Ų50.832%0.31627%0.274SS..  trans-67.3158.7169.4-178.928.4000110.7A4 E5 I6 P250D2-A4 PolarHBondContact O-N 3.1Å; D2-E5 HydrophobicContact CB-CG 4.28Å; D2-E5 PolarHBondContact N-OE2 2.91Å; D2-E5 PolarHBondContact O-N 3.5Å; D2-E5 VanDerWaalsContact O-N 3.09Å; D2-I6 PolarHBondContact O-N 2.62Å; D2-I6 VanDerWaalsContact O-N 3.15Å; D2-P250 WeakPolarHBondContact OD2-CD 3.25Å
3T85.6Confident85.4Confident31 Ų3152.2 Ų52.219%0.1928%0.282CS..Hα-helixtrans-53.4-42.1178.7-57.50000111.1L7 F126 L127 I247T3-L7 PolarHBondContact O-N 2.69Å; T3-L7 VanDerWaalsContact O-N 3.1Å; T3-F126 HydrophobicContact CG2-CD2 4.01Å; T3-F126 HydrophobicContact CG2-CE2 4.2Å; T3-L127 HydrophobicContact CG2-CD2 3.56Å; T3-I247 HydrophobicContact CG2-CG2 4.04Å
4A87.2Confident85.9Confident2 Ų252 Ų522%0.01728%0.284CS..Hα-helixtrans-64.2-45.8176.100000112.8D2 I6 L7 L8 I247 D248 Q249D2-A4 PolarHBondContact O-N 3.1Å; A4-I6 VanDerWaalsContact C-N 3.26Å; A4-I6 PolarHBondContact O-N 3.04Å; A4-L7 PolarHBondContact O-N 2.85Å; A4-L7 VanDerWaalsContact O-N 3.16Å; A4-L8 WeakPolarHBondContact O-CB 3.19Å; A4-L8 WeakPolarHBondContact O-CG 3.43Å; A4-L8 PolarHBondContact O-N 2.77Å; A4-I247 HydrophobicContact CB-CG2 4.02Å; A4-D248 WeakPolarHBondContact CB-O 3.41Å; A4-Q249 HydrophobicContact CB-CB 4.4Å; A4-Q249 HydrophobicContact CB-CG 3.66Å
5E88.2Confident86.5Confident106 Ų10658.3 Ų58.350%0.49531%0.311SS..Hα-helixtrans-58.5-41.4179.8-66.8174.6163.200111.5M1 D2 L8 S9M1-E5 WeakPolarHBondContact CA-OE2 3.36Å; M1-E5 HydrophobicContact CB-CB 4.18Å; M1-E5 WeakPolarHBondContact CB-OE2 3.3Å; M1-E5 HydrophobicContact CG-CB 4.36Å; D2-E5 HydrophobicContact CB-CG 4.28Å; D2-E5 PolarHBondContact N-OE2 2.91Å; D2-E5 PolarHBondContact O-N 3.5Å; D2-E5 VanDerWaalsContact O-N 3.09Å; E5-L8 PolarHBondContact O-N 3.18Å; E5-S9 WeakPolarHBondContact O-CB 3.32Å; E5-S9 PolarHBondContact O-N 3.21Å
6I88.6Confident87.3Confident24 Ų2456.8 Ų56.812%0.12330%0.301CS..Hα-helixtrans-63.8-47176.8-61.6172.6000110.7M1 D2 A4 S9 Q10 F126 F332M1-I6 HydrophobicContact CB-CD1 4.19Å; M1-I6 HydrophobicContact CB-CG1 3.69Å; M1-I6 HydrophobicContact SD-CG1 4.33Å; D2-I6 PolarHBondContact O-N 2.62Å; D2-I6 VanDerWaalsContact O-N 3.15Å; A4-I6 VanDerWaalsContact C-N 3.26Å; A4-I6 PolarHBondContact O-N 3.04Å; I6-S9 PolarHBondContact O-N 3.3Å; I6-S9 PolarHBondContact O-OG 3.04Å; I6-Q10 PolarHBondContact O-NE2 2.65Å; I6-F126 HydrophobicContact CB-CD1 4.45Å; I6-F126 HydrophobicContact CB-CD2 4.12Å; I6-F126 HydrophobicContact CB-CE2 4.34Å; I6-F126 HydrophobicContact CB-CG 4.18Å; I6-F126 HydrophobicContact CD1-CB 4.1Å; I6-F126 HydrophobicContact CD1-CG 4.45Å; I6-F126 HydrophobicContact CG2-CB 4.17Å; I6-F126 HydrophobicContact CG2-CD1 3.41Å; I6-F126 VanDerWaalsContact CG2-CD1 3.41Å; I6-F126 HydrophobicContact CG2-CD2 3.94Å; I6-F126 HydrophobicContact CG2-CE1 3.68Å; I6-F126 HydrophobicContact CG2-CE2 4.17Å; I6-F126 HydrophobicContact CG2-CG 3.56Å; I6-F126 HydrophobicContact CG2-CZ 4.04Å; I6-F332 HydrophobicContact CG2-CD2 3.72Å; I6-F332 HydrophobicContact CG2-CE2 3.4Å; I6-F332 HydrophobicContact CG2-CZ 4.26Å
7L89.3Confident87.9Confident1 Ų153.5 Ų53.51%0.00528%0.284CS..Hα-helixtrans-59.7-49.3176.8175.661.7000111.5T3 A4 S9 Q10 F11 F124 F126 V153 L155 F222 I247T3-L7 PolarHBondContact O-N 2.69Å; T3-L7 VanDerWaalsContact O-N 3.1Å; A4-L7 PolarHBondContact O-N 2.85Å; A4-L7 VanDerWaalsContact O-N 3.16Å; L7-S9 VanDerWaalsContact C-N 3.27Å; L7-S9 PolarHBondContact O-N 2.86Å; L7-Q10 VanDerWaalsContact O-CB 3.31Å; L7-Q10 WeakPolarHBondContact O-CB 3.34Å; L7-Q10 WeakPolarHBondContact O-CG 3.29Å; L7-Q10 PolarHBondContact O-N 3.16Å; L7-Q10 VanDerWaalsContact O-N 3.07Å; L7-F11 HydrophobicContact CD1-CE2 4.02Å; L7-F11 HydrophobicContact CD1-CZ 4.45Å; L7-F11 HydrophobicContact CG-CE2 4.2Å; L7-F11 WeakPolarHBondContact O-CD2 3.42Å; L7-F11 WeakPolarHBondContact O-CE2 3.16Å; L7-F124 HydrophobicContact CD1-CD1 3.86Å; L7-F124 HydrophobicContact CD1-CE1 3.5Å; L7-F124 VanDerWaalsContact CD1-CE1 3.5Å; L7-F124 HydrophobicContact CD1-CZ 4.36Å; L7-F126 HydrophobicContact CB-CE2 3.95Å; L7-F126 HydrophobicContact CB-CZ 3.92Å; L7-F126 HydrophobicContact CD1-CZ 4.2Å; L7-V153 HydrophobicContact CD2-CG2 3.93Å; L7-L155 HydrophobicContact CD1-CD1 4.43Å; L7-L155 HydrophobicContact CD1-CD2 4.47Å; L7-L155 HydrophobicContact CD2-CD1 3.95Å; L7-L155 HydrophobicContact CD2-CD2 4.38Å; L7-L155 HydrophobicContact CD2-CG 4.25Å; L7-F222 HydrophobicContact CD2-CE2 4.36Å; L7-I247 HydrophobicContact CD2-CB 4.26Å; L7-I247 HydrophobicContact CD2-CG1 3.88Å; L7-I247 HydrophobicContact CD2-CG2 4.35Å
8L90.6Very high88.5Confident29 Ų2951.2 Ų51.215%0.15227%0.271CS..Hα-helixtrans-64-33.3-177.3-67.2-178.2000112.1A4 E5 Q10 F11 P14 V153 F222A4-L8 WeakPolarHBondContact O-CB 3.19Å; A4-L8 WeakPolarHBondContact O-CG 3.43Å; A4-L8 PolarHBondContact O-N 2.77Å; E5-L8 PolarHBondContact O-N 3.18Å; L8-Q10 PolarHBondContact O-N 2.88Å; L8-Q10 VanDerWaalsContact O-N 3.12Å; L8-F11 PolarHBondContact O-N 2.89Å; L8-F11 VanDerWaalsContact O-N 3.15Å; L8-P14 HydrophobicContact CB-CB 3.81Å; L8-P14 HydrophobicContact CD1-CB 4.49Å; L8-P14 HydrophobicContact CD2-CB 3.8Å; L8-P14 HydrophobicContact CG-CB 4.21Å; L8-V153 HydrophobicContact CD2-CG1 4.23Å; L8-F222 HydrophobicContact CD2-CE2 4.09Å; L8-F222 HydrophobicContact CD2-CZ 3.6Å
9S88.6Confident89Confident27 Ų2748.9 Ų48.919%0.18926%0.259CS..THydrogen-bonded Turntrans-65.1-10.6175.5750000114.5E5 I6 L7 F11E5-S9 WeakPolarHBondContact O-CB 3.32Å; E5-S9 PolarHBondContact O-N 3.21Å; I6-S9 PolarHBondContact O-N 3.3Å; I6-S9 PolarHBondContact O-OG 3.04Å; L7-S9 VanDerWaalsContact C-N 3.27Å; L7-S9 PolarHBondContact O-N 2.86Å; S9-F11 VanDerWaalsContact C-N 3.33Å
10Q84.7Confident89.4Confident44 Ų4446.5 Ų46.521%0.20625%0.246CC..THydrogen-bonded Turntrans-79.3-14.7175.1-54-46.7-56.200113.3I6 L7 L8 F332I6-Q10 PolarHBondContact O-NE2 2.65Å; L7-Q10 VanDerWaalsContact O-CB 3.31Å; L7-Q10 WeakPolarHBondContact O-CB 3.34Å; L7-Q10 WeakPolarHBondContact O-CG 3.29Å; L7-Q10 PolarHBondContact O-N 3.16Å; L7-Q10 VanDerWaalsContact O-N 3.07Å; L8-Q10 PolarHBondContact O-N 2.88Å; L8-Q10 VanDerWaalsContact O-N 3.12Å; Q10-F332 VanDerWaalsContact OE1-N 3.14Å; Q10-F332 PolarHBondContact OE1-O 2.94Å
11F88.8Confident89.8Confident11 Ų1148.9 Ų48.95%0.04825%0.254CS..SBendtrans-105.8138.5-174.9-57.5-79.5000111.4L7 L8 S9 N13 Y18 F222 W338L7-F11 HydrophobicContact CD1-CE2 4.02Å; L7-F11 HydrophobicContact CD1-CZ 4.45Å; L7-F11 HydrophobicContact CG-CE2 4.2Å; L7-F11 WeakPolarHBondContact O-CD2 3.42Å; L7-F11 WeakPolarHBondContact O-CE2 3.16Å; L8-F11 PolarHBondContact O-N 2.89Å; L8-F11 VanDerWaalsContact O-N 3.15Å; S9-F11 VanDerWaalsContact C-N 3.33Å; F11-N13 PolarHBondContact O-N 3.36Å; F11-Y18 HydrophobicContact CB-CD2 4.34Å; F11-Y18 HydrophobicContact CB-CE2 3.96Å; F11-Y18 HydrophobicContact CD1-CD1 4.25Å; F11-Y18 AromaticContact CD1-CD2 3.37Å; F11-Y18 HydrophobicContact CD1-CD2 3.37Å; F11-Y18 AromaticContact CD1-CE2 3.85Å; F11-Y18 HydrophobicContact CD1-CE2 3.85Å; F11-Y18 AromaticContact CD1-CG 3.63Å; F11-Y18 HydrophobicContact CD1-CG 3.63Å; F11-Y18 AromaticContact CE1-CD2 3.96Å; F11-Y18 HydrophobicContact CE1-CD2 3.96Å; F11-Y18 AromaticContact CE1-CG 3.99Å; F11-Y18 HydrophobicContact CE1-CG 3.99Å; F11-Y18 HydrophobicContact CG-CD2 4.09Å; F11-Y18 HydrophobicContact CG-CE2 4.22Å; F11-F222 HydrophobicContact CD1-CD1 4.29Å; F11-F222 HydrophobicContact CD2-CD1 4.36Å; F11-F222 HydrophobicContact CD2-CE1 4.1Å; F11-F222 HydrophobicContact CD2-CZ 4.23Å; F11-F222 HydrophobicContact CE1-CB 4.03Å; F11-F222 AromaticContact CE1-CD1 3.89Å; F11-F222 HydrophobicContact CE1-CD1 3.89Å; F11-F222 AromaticContact CE1-CG 3.95Å; F11-F222 HydrophobicContact CE1-CG 3.95Å; F11-F222 AromaticContact CE2-CD1 3.99Å; F11-F222 HydrophobicContact CE2-CD1 3.99Å; F11-F222 AromaticContact CE2-CD2 3.85Å; F11-F222 HydrophobicContact CE2-CD2 3.85Å; F11-F222 HydrophobicContact CE2-CE1 4.01Å; F11-F222 AromaticContact CE2-CE2 3.89Å; F11-F222 HydrophobicContact CE2-CE2 3.89Å; F11-F222 AromaticContact CE2-CG 3.9Å; F11-F222 HydrophobicContact CE2-CG 3.9Å; F11-F222 AromaticContact CE2-CZ 3.98Å; F11-F222 HydrophobicContact CE2-CZ 3.98Å; F11-F222 HydrophobicContact CG-CD1 4.5Å; F11-F222 HydrophobicContact CG-CE1 4.41Å; F11-F222 HydrophobicContact CZ-CB 3.76Å; F11-F222 AromaticContact CZ-CD1 3.74Å; F11-F222 HydrophobicContact CZ-CD1 3.74Å; F11-F222 AromaticContact CZ-CD2 3.76Å; F11-F222 HydrophobicContact CZ-CD2 3.76Å; F11-F222 HydrophobicContact CZ-CE1 4.24Å; F11-F222 HydrophobicContact CZ-CE2 4.27Å; F11-F222 AromaticContact CZ-CG 3.46Å; F11-F222 HydrophobicContact CZ-CG 3.46Å; F11-F222 VanDerWaalsContact CZ-CG 3.46Å; F11-W338 HydrophobicContact CD1-CD2 4.44Å; F11-W338 HydrophobicContact CD1-CG 4.25Å; F11-W338 HydrophobicContact CE1-CB 4.37Å; F11-W338 AromaticContact CE1-CD1 3.99Å; F11-W338 AromaticContact CE1-CD2 3.5Å; F11-W338 HydrophobicContact CE1-CD2 3.5Å; F11-W338 VanDerWaalsContact CE1-CD2 3.5Å; F11-W338 AromaticContact CE1-CE2 3.62Å; F11-W338 AromaticContact CE1-CE3 3.89Å; F11-W338 HydrophobicContact CE1-CE3 3.89Å; F11-W338 AromaticContact CE1-CG 3.73Å; F11-W338 HydrophobicContact CE1-CG 3.73Å; F11-W338 HydrophobicContact CE1-CH2 4.37Å; F11-W338 HydrophobicContact CE1-CZ2 4.07Å; F11-W338 HydrophobicContact CE1-CZ3 4.3Å; F11-W338 AromaticContact CE1-NE1 3.93Å; F11-W338 HydrophobicContact CZ-CD2 4.15Å; F11-W338 AromaticContact CZ-CE2 3.81Å; F11-W338 HydrophobicContact CZ-CH2 4.22Å; F11-W338 AromaticContact CZ-CZ2 3.86Å; F11-W338 HydrophobicContact CZ-CZ2 3.86Å
12P86.9Confident91.5Very high122 Ų12244.8 Ų44.879%0.79224%0.241SC*.SBendtrans-57.8-37.3172-25.334000113.3
13N92.6Very high92.1Very high70 Ų7043 Ų4337%0.37424%0.236SC..SBendtrans-132102.6170.91784.8000109.6F11 Q15 H16 Y18F11-N13 PolarHBondContact O-N 3.36Å; N13-Q15 PolarHBondContact O-N 3.19Å; N13-Q15 WeakPolarHBondContact OD1-CB 3.43Å; N13-Q15 PolarHBondContact OD1-N 3.27Å; N13-H16 HydrophobicContact CB-CB 4.17Å; N13-H16 PolarHBondContact O-N 3.03Å; N13-Y18 PolarHBondContact N-OH 3.37Å; N13-Y18 VanDerWaalsContact O-CE2 3.3Å; N13-Y18 WeakPolarHBondContact O-CE2 3.22Å
14P92.9Very high92.6Very high49 Ų4941.5 Ų41.532%0.31823%0.227SC..THydrogen-bonded Turntrans-65.3-9.2-178.425.5-33.7000114.7L8L8-P14 HydrophobicContact CB-CB 3.81Å; L8-P14 HydrophobicContact CD1-CB 4.49Å; L8-P14 HydrophobicContact CD2-CB 3.8Å; L8-P14 HydrophobicContact CG-CB 4.21Å
15Q95.2Very high92.9Very high147 Ų14745 Ų4569%0.68725%0.25SS*.THydrogen-bonded Turntrans-92.91.3176.6-58.2-179.4-1.600113.2N13 W227N13-Q15 PolarHBondContact O-N 3.19Å; N13-Q15 WeakPolarHBondContact OD1-CB 3.43Å; N13-Q15 PolarHBondContact OD1-N 3.27Å; Q15-W227 WeakPolarHBondContact O-CZ2 3.17Å; Q15-W227 PolarHBondContact O-NE1 3.43Å
16H97.8Very high93.2Very high34 Ų3443 Ų4316%0.15725%0.248CC..SBendtrans-109143.7-179.8-164.385.6000111.1N13 Y18 Y211 P224 L341N13-H16 HydrophobicContact CB-CB 4.17Å; N13-H16 PolarHBondContact O-N 3.03Å; H16-Y18 HydrophobicContact CB-CE2 3.83Å; H16-Y18 WeakPolarHBondContact O-CD2 3.41Å; H16-Y18 WeakPolarHBondContact O-CE2 3.39Å; H16-Y211 AromaticContact CE1-CE1 3.61Å; H16-P224 WeakPolarHBondContact O-CG 3Å; H16-L341 PolarHBondContact NE2-O 2.98Å
17P98.5Very high93.6Very high0 Ų041.8 Ų41.80%024%0.242CC..  trans-75.9139.9176.328.6-34.9000112.1L167 F222 W227 L341P17-L167 HydrophobicContact CB-CD2 4.28Å; P17-F222 WeakPolarHBondContact CA-O 3.43Å; P17-W227 HydrophobicContact CG-CD2 4.36Å; P17-W227 HydrophobicContact CG-CE3 4Å; P17-W227 HydrophobicContact CG-CH2 3.76Å; P17-W227 HydrophobicContact CG-CZ2 4.16Å; P17-W227 HydrophobicContact CG-CZ3 3.67Å; P17-L341 HydrophobicContact CB-CD2 4.23Å; P17-L341 HydrophobicContact CG-CB 4.21Å; P17-L341 HydrophobicContact CG-CD2 4.27Å; P17-L341 PolarHBondContact O-N 2.63Å
18Y98.1Very high94Very high13 Ų1346.7 Ų46.75%0.05126%0.263CS..EExtended strand (participates in β ladder)trans-129.6147.3179.7-68.5-99.4000111F11 N13 H16 F222 W338 T339 P340F11-Y18 HydrophobicContact CB-CD2 4.34Å; F11-Y18 HydrophobicContact CB-CE2 3.96Å; F11-Y18 HydrophobicContact CD1-CD1 4.25Å; F11-Y18 AromaticContact CD1-CD2 3.37Å; F11-Y18 HydrophobicContact CD1-CD2 3.37Å; F11-Y18 AromaticContact CD1-CE2 3.85Å; F11-Y18 HydrophobicContact CD1-CE2 3.85Å; F11-Y18 AromaticContact CD1-CG 3.63Å; F11-Y18 HydrophobicContact CD1-CG 3.63Å; F11-Y18 AromaticContact CE1-CD2 3.96Å; F11-Y18 HydrophobicContact CE1-CD2 3.96Å; F11-Y18 AromaticContact CE1-CG 3.99Å; F11-Y18 HydrophobicContact CE1-CG 3.99Å; F11-Y18 HydrophobicContact CG-CD2 4.09Å; F11-Y18 HydrophobicContact CG-CE2 4.22Å; N13-Y18 PolarHBondContact N-OH 3.37Å; N13-Y18 VanDerWaalsContact O-CE2 3.3Å; N13-Y18 WeakPolarHBondContact O-CE2 3.22Å; H16-Y18 HydrophobicContact CB-CE2 3.83Å; H16-Y18 WeakPolarHBondContact O-CD2 3.41Å; H16-Y18 WeakPolarHBondContact O-CE2 3.39Å; Y18-F222 HydrophobicContact CD2-CD1 4.16Å; Y18-F222 PolarHBondContact N-O 3.12Å; Y18-F222 PolarHBondContact O-N 3.04Å; Y18-W338 HydrophobicContact CD1-CB 4.05Å; Y18-W338 HydrophobicContact CG-CB 4.39Å; Y18-T339 WeakPolarHBondContact CA-O 3.3Å; Y18-P340 VanDerWaalsContact CD1-CA 3.46Å; Y18-P340 HydrophobicContact CD1-CB 3.93Å; Y18-P340 VanDerWaalsContact CD1-N 3.35Å; Y18-P340 HydrophobicContact CE1-CB 3.58Å; Y18-P340 HydrophobicContact CE1-CG 4.16Å
19V98.1Very high94.3Very high7 Ų745.3 Ų45.34%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-118.6137.9172.364.90000110.1K21 I213 L215 L220 L221 T339 L341V19-K21 HydrophobicContact CG2-CD 4.06Å; V19-I213 HydrophobicContact CB-CG1 4.46Å; V19-I213 HydrophobicContact CG1-CD1 4.2Å; V19-I213 HydrophobicContact CG1-CG1 4.47Å; V19-I213 HydrophobicContact CG2-CG1 4.31Å; V19-L215 HydrophobicContact CG2-CD2 3.94Å; V19-L220 CarbonylContact C-O 3.5Å; V19-L220 WeakPolarHBondContact CA-O 3.39Å; V19-L220 WeakPolarHBondContact CG2-O 3.16Å; V19-L221 HydrophobicContact CB-CD1 4.49Å; V19-T339 PolarHBondContact N-O 3.1Å; V19-T339 PolarHBondContact O-N 3.19Å; V19-L341 HydrophobicContact CB-CD1 3.86Å; V19-L341 HydrophobicContact CG1-CD1 3.86Å
20A96.5Very high94.8Very high1 Ų145.5 Ų45.51%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-111105.116700000108.8S22 G23 L220 I336 W338A20-S22 PolarHBondContact O-N 3.25Å; A20-G23 PolarHBondContact O-N 3.32Å; A20-L220 HydrophobicContact CB-CB 4.31Å; A20-L220 PolarHBondContact N-O 3.17Å; A20-L220 PolarHBondContact O-N 3.24Å; A20-I336 HydrophobicContact CB-CG2 3.23Å; A20-W338 HydrophobicContact CB-CD2 4.11Å; A20-W338 HydrophobicContact CB-CE3 3.75Å; A20-W338 HydrophobicContact CB-CZ3 3.98Å
21K97.5Very high95.3Very high96 Ų9649.8 Ų49.842%0.41728%0.277SS..THydrogen-bonded Turntrans-66.5129.8179.6-67.3-56.2-166.3-176.20110.5V19 G23 T214 D219V19-K21 HydrophobicContact CG2-CD 4.06Å; K21-G23 PolarHBondContact O-N 3.42Å; K21-T214 PolarHBondContact NZ-O 3.16Å; K21-D219 VanDerWaalsContact CA-OD1 3.29Å; K21-D219 WeakPolarHBondContact CA-OD1 3.4Å; K21-D219 WeakPolarHBondContact CD-OD1 3.39Å; K21-D219 VanDerWaalsContact CD-OD2 3.26Å; K21-D219 WeakPolarHBondContact CD-OD2 3.16Å; K21-D219 IonicContact NZ-OD2 3.12Å; K21-D219 PolarHBondContact NZ-OD2 3.3Å
22S95.6Very high95.8Very high67 Ų6753.2 Ų53.247%0.46929%0.292SS..THydrogen-bonded Turntrans55.617.2-176.7-50.90000115.3A20 A24 C25 G218 D219A20-S22 PolarHBondContact O-N 3.25Å; S22-A24 PolarHBondContact O-N 3.22Å; S22-A24 VanDerWaalsContact O-N 3.09Å; S22-C25 WeakPolarHBondContact O-CB 3.4Å; S22-C25 PolarHBondContact O-N 3.33Å; S22-C25 PolarHBondContact O-SG 2.9Å; S22-G218 CarbonylContact C-O 3.5Å; S22-G218 VanDerWaalsContact CA-O 3.32Å; S22-G218 WeakPolarHBondContact CA-O 3.44Å; S22-D219 PolarHBondContact N-OD1 3.19Å
23G93.6Very high96.3Very high21 Ų2147.6 Ų47.622%0.21626%0.255CS..THydrogen-bonded Turntrans-59.5-24.4-176.300000114.5A20 K21 L123 G218A20-G23 PolarHBondContact O-N 3.32Å; K21-G23 PolarHBondContact O-N 3.42Å; G23-L123 WeakPolarHBondContact O-CD2 3.36Å; G23-G218 PolarHBondContact N-O 3.13Å
24A95.6Very high96.5Very high0 Ų047.3 Ų47.30%025%0.253CS..THydrogen-bonded Turntrans-112.618.2178.400000113.1S22 S26 W27 C30 L123 V157 G218S22-A24 PolarHBondContact O-N 3.22Å; S22-A24 VanDerWaalsContact O-N 3.09Å; A24-S26 PolarHBondContact O-N 2.85Å; A24-W27 HydrophobicContact CB-CD2 3.76Å; A24-W27 HydrophobicContact CB-CE3 4.23Å; A24-W27 HydrophobicContact CB-CG 3.97Å; A24-W27 HydrophobicContact CB-CZ2 4.33Å; A24-W27 VanDerWaalsContact O-CB 3.31Å; A24-W27 WeakPolarHBondContact O-CB 3.26Å; A24-W27 PolarHBondContact O-N 3.42Å; A24-W27 VanDerWaalsContact O-N 3.07Å; A24-C30 PolarHBondContact O-SG 2.91Å; A24-L123 HydrophobicContact CB-CD1 4.26Å; A24-V157 HydrophobicContact CB-CG1 3.56Å; A24-G218 PolarHBondContact N-O 2.96Å
25C93.3Very high96.6Very high75 Ų7545.2 Ų45.251%0.50724%0.24SC..THydrogen-bonded Turntrans-64.2-23.5-175.369.50000113.9S22 W27S22-C25 WeakPolarHBondContact O-CB 3.4Å; S22-C25 PolarHBondContact O-N 3.33Å; S22-C25 PolarHBondContact O-SG 2.9Å; C25-W27 VanDerWaalsContact C-N 3.29Å
26S93.9Very high96.7Very high64 Ų6445.5 Ų45.545%0.44824%0.241SC..THydrogen-bonded Turntrans-76.2-14.1176.258.50000113.5A24 K28 Q31A24-S26 PolarHBondContact O-N 2.85Å; S26-K28 PolarHBondContact O-N 3.07Å; S26-Q31 PolarHBondContact O-NE2 3.01Å
27W96.8Very high96.7Very high0 Ų046.3 Ų46.30%024%0.243CC..SBendtrans-63.8137.9-176.3-70.715.7000110.7A24 C25 A29 C30 Q31 L118 S119 F120 L123 V157 I159 V243A24-W27 HydrophobicContact CB-CD2 3.76Å; A24-W27 HydrophobicContact CB-CE3 4.23Å; A24-W27 HydrophobicContact CB-CG 3.97Å; A24-W27 HydrophobicContact CB-CZ2 4.33Å; A24-W27 VanDerWaalsContact O-CB 3.31Å; A24-W27 WeakPolarHBondContact O-CB 3.26Å; A24-W27 PolarHBondContact O-N 3.42Å; A24-W27 VanDerWaalsContact O-N 3.07Å; C25-W27 VanDerWaalsContact C-N 3.29Å; W27-A29 PolarHBondContact O-N 3.24Å; W27-C30 PolarHBondContact O-N 3.15Å; W27-Q31 PolarHBondContact O-N 2.94Å; W27-L118 HydrophobicContact CE3-CB 4.2Å; W27-L118 HydrophobicContact CE3-CD2 4.03Å; W27-L118 HydrophobicContact CZ3-CB 3.98Å; W27-L118 HydrophobicContact CZ3-CD2 4.06Å; W27-S119 PolarHBondContact NE1-O 3.09Å; W27-F120 AromaticContact CH2-CD1 3.7Å; W27-F120 HydrophobicContact CH2-CD1 3.7Å; W27-F120 AromaticContact CH2-CD2 3.66Å; W27-F120 HydrophobicContact CH2-CD2 3.66Å; W27-F120 AromaticContact CH2-CE1 3.71Å; W27-F120 HydrophobicContact CH2-CE1 3.71Å; W27-F120 AromaticContact CH2-CE2 3.68Å; W27-F120 HydrophobicContact CH2-CE2 3.68Å; W27-F120 AromaticContact CH2-CG 3.68Å; W27-F120 HydrophobicContact CH2-CG 3.68Å; W27-F120 AromaticContact CH2-CZ 3.7Å; W27-F120 HydrophobicContact CH2-CZ 3.7Å; W27-F120 HydrophobicContact CZ2-CD1 4.22Å; W27-F120 HydrophobicContact CZ2-CD2 4.45Å; W27-F120 HydrophobicContact CZ2-CG 4.15Å; W27-F120 HydrophobicContact CZ3-CD2 4.2Å; W27-F120 AromaticContact CZ3-CE2 3.95Å; W27-F120 HydrophobicContact CZ3-CE2 3.95Å; W27-F120 HydrophobicContact CZ3-CZ 4.15Å; W27-L123 HydrophobicContact CZ2-CD1 3.65Å; W27-L123 HydrophobicContact CZ2-CG 4.26Å; W27-V157 HydrophobicContact CE3-CG1 4.2Å; W27-V157 HydrophobicContact CH2-CG2 3.71Å; W27-V157 HydrophobicContact CZ2-CG2 4.5Å; W27-V157 HydrophobicContact CZ3-CB 4.13Å; W27-V157 HydrophobicContact CZ3-CG1 4.06Å; W27-V157 HydrophobicContact CZ3-CG2 3.78Å; W27-I159 HydrophobicContact CE3-CD1 4.28Å; W27-V243 HydrophobicContact CZ3-CG2 4.34Å
28K97.8Very high96.6Very high103 Ų10346.3 Ų46.345%0.44824%0.243SC..Hα-helixtrans-56.6-34.1174.8-68.1171.3-176.11660110.9S26 C30 Q31 K32 D117S26-K28 PolarHBondContact O-N 3.07Å; K28-C30 PolarHBondContact O-N 2.8Å; K28-Q31 PolarHBondContact O-N 3.41Å; K28-Q31 VanDerWaalsContact O-N 3.14Å; K28-K32 HydrophobicContact CB-CD 4.27Å; K28-K32 VanDerWaalsContact O-CB 3.32Å; K28-K32 WeakPolarHBondContact O-CB 3.39Å; K28-K32 WeakPolarHBondContact O-CG 3.46Å; K28-K32 PolarHBondContact O-N 3.4Å; K28-D117 HydrophobicContact CB-CB 3.86Å; K28-D117 VanDerWaalsContact CB-OD1 3.3Å; K28-D117 WeakPolarHBondContact CB-OD1 3.36Å; K28-D117 WeakPolarHBondContact CD-OD1 3.23Å; K28-D117 PolarHBondContact N-O 3.02Å
29A98.1Very high96.6Very high0 Ų046.8 Ų46.80%025%0.248CC..Hα-helixtrans-57.6-48.217600000112.1W27 Q31 K32 W33 D117 L118 I159W27-A29 PolarHBondContact O-N 3.24Å; A29-Q31 PolarHBondContact O-N 3.12Å; A29-K32 PolarHBondContact O-N 3.33Å; A29-W33 HydrophobicContact CB-CD2 3.82Å; A29-W33 HydrophobicContact CB-CE3 4.33Å; A29-W33 HydrophobicContact CB-CG 4.18Å; A29-W33 HydrophobicContact CB-CH2 4.37Å; A29-W33 HydrophobicContact CB-CZ2 3.85Å; A29-W33 WeakPolarHBondContact O-CB 3.4Å; A29-W33 PolarHBondContact O-N 3.12Å; A29-D117 HydrophobicContact CB-CB 4.12Å; A29-D117 PolarHBondContact N-O 3.22Å; A29-L118 HydrophobicContact CB-CD2 3.53Å; A29-I159 HydrophobicContact CB-CD1 3.87Å; A29-I159 HydrophobicContact CB-CG2 4.03Å; A29-I159 WeakPolarHBondContact O-CG2 3.36Å
30C97.5Very high96.5Very high31 Ų3148.5 Ų48.521%0.20927%0.267CS..Hα-helixtrans-64.5-22.8177.7-63.30000113.3A24 W27 K28A24-C30 PolarHBondContact O-SG 2.91Å; W27-C30 PolarHBondContact O-N 3.15Å; K28-C30 PolarHBondContact O-N 2.8Å
31Q96.8Very high96.5Very high135 Ų13552.7 Ų52.763%0.63129%0.285SS*.Hα-helixtrans-92.8-32.7-179.2-64.1170.37.400113.2S26 W27 K28 A29S26-Q31 PolarHBondContact O-NE2 3.01Å; W27-Q31 PolarHBondContact O-N 2.94Å; K28-Q31 PolarHBondContact O-N 3.41Å; K28-Q31 VanDerWaalsContact O-N 3.14Å; A29-Q31 PolarHBondContact O-N 3.12Å
32K97.5Very high96.5Very high82 Ų8248.2 Ų48.236%0.35727%0.266SS..Hα-helixtrans-107.5-30.8-170.2-62.9177.7-173.3170.60114.2K28 A29 D34 Y37 D117K28-K32 HydrophobicContact CB-CD 4.27Å; K28-K32 VanDerWaalsContact O-CB 3.32Å; K28-K32 WeakPolarHBondContact O-CB 3.39Å; K28-K32 WeakPolarHBondContact O-CG 3.46Å; K28-K32 PolarHBondContact O-N 3.4Å; A29-K32 PolarHBondContact O-N 3.33Å; K32-D34 PolarHBondContact O-N 3.49Å; K32-Y37 HydrophobicContact CB-CD1 4.29Å; K32-Y37 HydrophobicContact CB-CD2 4.22Å; K32-Y37 HydrophobicContact CB-CE1 4.21Å; K32-Y37 HydrophobicContact CB-CE2 4.15Å; K32-Y37 HydrophobicContact CB-CG 4.28Å; K32-Y37 HydrophobicContact CD-CE2 3.95Å; K32-Y37 WeakPolarHBondContact O-CB 3.33Å; K32-D117 IonicContact NZ-OD1 2.77Å; K32-D117 PolarHBondContact NZ-OD1 2.9Å
33W97.9Very high96.4Very high4 Ų451.3 Ų51.32%0.01527%0.27CS..  trans-76.6105.8-167-68.314.1000111.2A29 Y37 L38 M105 L114 D117 L118 F135 I159 V243A29-W33 HydrophobicContact CB-CD2 3.82Å; A29-W33 HydrophobicContact CB-CE3 4.33Å; A29-W33 HydrophobicContact CB-CG 4.18Å; A29-W33 HydrophobicContact CB-CH2 4.37Å; A29-W33 HydrophobicContact CB-CZ2 3.85Å; A29-W33 WeakPolarHBondContact O-CB 3.4Å; A29-W33 PolarHBondContact O-N 3.12Å; W33-Y37 AromaticContact CD1-CD1 3.49Å; W33-Y37 VanDerWaalsContact CD1-CD1 3.49Å; W33-Y37 AromaticContact CD1-CE1 3.38Å; W33-Y37 HydrophobicContact CG-CD1 4.27Å; W33-Y37 HydrophobicContact CG-CE1 4.47Å; W33-Y37 AromaticContact NE1-CE1 3.58Å; W33-L38 HydrophobicContact CB-CD1 4.48Å; W33-L38 HydrophobicContact CB-CD2 4.31Å; W33-L38 HydrophobicContact CB-CG 4.32Å; W33-L38 HydrophobicContact CD2-CD2 3.79Å; W33-L38 HydrophobicContact CE3-CD2 3.94Å; W33-L38 HydrophobicContact CG-CD2 3.95Å; W33-L38 HydrophobicContact CG-CG 4.46Å; W33-M105 HydrophobicContact CH2-CE 3.88Å; W33-M105 HydrophobicContact CZ2-CE 4.42Å; W33-L114 HydrophobicContact CH2-CB 4.13Å; W33-L114 HydrophobicContact CZ2-CB 3.6Å; W33-L114 HydrophobicContact CZ2-CD2 3.9Å; W33-L114 HydrophobicContact CZ2-CG 4.23Å; W33-L114 WeakPolarHBondContact CZ2-O 3.11Å; W33-D117 HydrophobicContact CZ2-CB 4.29Å; W33-D117 PolarHBondContact NE1-OD2 3.12Å; W33-D117 VanDerWaalsContact NE1-OD2 3.1Å; W33-L118 HydrophobicContact CH2-CD2 3.71Å; W33-L118 HydrophobicContact CH2-CG 4.42Å; W33-L118 HydrophobicContact CZ2-CD2 3.87Å; W33-L118 HydrophobicContact CZ2-CG 4.48Å; W33-L118 HydrophobicContact CZ3-CD2 4.49Å; W33-F135 HydrophobicContact CE3-CE2 4.26Å; W33-F135 HydrophobicContact CH2-CD2 4.39Å; W33-F135 AromaticContact CZ3-CD2 3.87Å; W33-F135 HydrophobicContact CZ3-CD2 3.87Å; W33-F135 AromaticContact CZ3-CE2 3.82Å; W33-F135 HydrophobicContact CZ3-CE2 3.82Å; W33-I159 HydrophobicContact CB-CG2 3.83Å; W33-I159 HydrophobicContact CD2-CG2 3.98Å; W33-I159 HydrophobicContact CE3-CB 4.27Å; W33-I159 HydrophobicContact CE3-CG1 4.3Å; W33-I159 HydrophobicContact CE3-CG2 3.64Å; W33-I159 HydrophobicContact CG-CG2 4.12Å; W33-I159 HydrophobicContact CZ3-CG1 4.3Å; W33-I159 HydrophobicContact CZ3-CG2 4.44Å; W33-V243 HydrophobicContact CH2-CG1 3.97Å; W33-V243 HydrophobicContact CZ3-CG1 3.82Å
34D96.4Very high96.5Very high64 Ų6452.4 Ų52.434%0.34228%0.275SS..SBendtrans-127.1179.215862.524.3000109.3K32 H36 Y37 L38K32-D34 PolarHBondContact O-N 3.49Å; D34-H36 PolarHBondContact O-N 3.12Å; D34-H36 WeakPolarHBondContact OD1-CA 3.45Å; D34-H36 WeakPolarHBondContact OD1-CB 3.42Å; D34-H36 PolarHBondContact OD1-N 3.11Å; D34-Y37 PolarHBondContact O-N 2.66Å; D34-Y37 PolarHBondContact OD1-N 3.29Å; D34-L38 VanDerWaalsContact O-CB 3.29Å; D34-L38 WeakPolarHBondContact O-CB 3.28Å; D34-L38 WeakPolarHBondContact O-CG 3.3Å; D34-L38 PolarHBondContact O-N 3.16Å
35L96.4Very high96.6Very high6 Ų656.8 Ų56.83%0.03130%0.298CS..Hα-helixtrans-63.8-26.2179.7-72176000112.9S39 F74 N75 I78 L137 F239L35-S39 WeakPolarHBondContact O-CB 3.14Å; L35-S39 PolarHBondContact O-N 3.02Å; L35-S39 PolarHBondContact O-OG 3.12Å; L35-F74 HydrophobicContact CD1-CD1 4.28Å; L35-F74 HydrophobicContact CD1-CE1 4.3Å; L35-F74 HydrophobicContact CD2-CD1 3.88Å; L35-F74 HydrophobicContact CD2-CE1 3.98Å; L35-N75 HydrophobicContact CB-CB 4.25Å; L35-N75 HydrophobicContact CD1-CB 4.02Å; L35-N75 VanDerWaalsContact CD1-OD1 3.27Å; L35-N75 WeakPolarHBondContact CD1-OD1 3.19Å; L35-I78 HydrophobicContact CD1-CD1 4.29Å; L35-L137 HydrophobicContact CD2-CD1 4.17Å; L35-L137 HydrophobicContact CD2-CD2 4.21Å; L35-F239 HydrophobicContact CD1-CB 4.46Å; L35-F239 HydrophobicContact CD1-CD1 3.65Å; L35-F239 HydrophobicContact CD1-CD2 4.45Å; L35-F239 HydrophobicContact CD1-CE1 3.93Å; L35-F239 HydrophobicContact CD1-CG 3.94Å; L35-F239 HydrophobicContact CD1-CZ 4.42Å; L35-F239 HydrophobicContact CD2-CD2 4.08Å; L35-F239 HydrophobicContact CD2-CE2 4.14Å; L35-F239 HydrophobicContact CD2-CG 4.35Å; L35-F239 HydrophobicContact CD2-CZ 4.48Å; L35-F239 HydrophobicContact CG-CD1 3.89Å; L35-F239 HydrophobicContact CG-CD2 4.06Å; L35-F239 HydrophobicContact CG-CE1 3.75Å; L35-F239 HydrophobicContact CG-CE2 3.91Å; L35-F239 HydrophobicContact CG-CG 4.04Å; L35-F239 HydrophobicContact CG-CZ 3.75Å
36H96.2Very high96.8Very high153 Ų15353.7 Ų53.771%0.70828%0.277SS*.Hα-helixtrans-71.1-49.2176.5179.869.6000111.1D34 S39 G40D34-H36 PolarHBondContact O-N 3.12Å; D34-H36 WeakPolarHBondContact OD1-CA 3.45Å; D34-H36 WeakPolarHBondContact OD1-CB 3.42Å; D34-H36 PolarHBondContact OD1-N 3.11Å; H36-S39 PolarHBondContact O-OG 3.03Å; H36-S39 VanDerWaalsContact O-OG 3.04Å; H36-G40 PolarHBondContact O-N 3.04Å
37Y97.6Very high97Very high51 Ų5156.4 Ų56.420%0.228%0.28CS..Hα-helixtrans-61.7-47.9175.7-177.1-97.1000111.4K32 W33 D34 G40 K41 L114 D117K32-Y37 HydrophobicContact CB-CD1 4.29Å; K32-Y37 HydrophobicContact CB-CD2 4.22Å; K32-Y37 HydrophobicContact CB-CE1 4.21Å; K32-Y37 HydrophobicContact CB-CE2 4.15Å; K32-Y37 HydrophobicContact CB-CG 4.28Å; K32-Y37 HydrophobicContact CD-CE2 3.95Å; K32-Y37 WeakPolarHBondContact O-CB 3.33Å; W33-Y37 AromaticContact CD1-CD1 3.49Å; W33-Y37 VanDerWaalsContact CD1-CD1 3.49Å; W33-Y37 AromaticContact CD1-CE1 3.38Å; W33-Y37 HydrophobicContact CG-CD1 4.27Å; W33-Y37 HydrophobicContact CG-CE1 4.47Å; W33-Y37 AromaticContact NE1-CE1 3.58Å; D34-Y37 PolarHBondContact O-N 2.66Å; D34-Y37 PolarHBondContact OD1-N 3.29Å; Y37-G40 WeakPolarHBondContact O-CA 3.45Å; Y37-G40 PolarHBondContact O-N 3.18Å; Y37-G40 VanDerWaalsContact O-N 3.1Å; Y37-K41 HydrophobicContact CD1-CG 4.46Å; Y37-K41 HydrophobicContact CE1-CG 4.12Å; Y37-K41 WeakPolarHBondContact O-CG 3.29Å; Y37-K41 PolarHBondContact O-N 3.34Å; Y37-L114 HydrophobicContact CD1-CD2 4.3Å; Y37-L114 HydrophobicContact CE1-CD2 3.7Å; Y37-D117 WeakPolarHBondContact CE1-OD2 3.3Å; Y37-D117 PolarHBondContact OH-OD2 3.19Å
38L98.1Very high97.1Very high0 Ų056.4 Ų56.40%028%0.28CS..Hα-helixtrans-64.6-44.7-178.5-68.8171.9000111.5W33 D34 G40 K41 I42 L71 L114 F135 L137W33-L38 HydrophobicContact CB-CD1 4.48Å; W33-L38 HydrophobicContact CB-CD2 4.31Å; W33-L38 HydrophobicContact CB-CG 4.32Å; W33-L38 HydrophobicContact CD2-CD2 3.79Å; W33-L38 HydrophobicContact CE3-CD2 3.94Å; W33-L38 HydrophobicContact CG-CD2 3.95Å; W33-L38 HydrophobicContact CG-CG 4.46Å; D34-L38 VanDerWaalsContact O-CB 3.29Å; D34-L38 WeakPolarHBondContact O-CB 3.28Å; D34-L38 WeakPolarHBondContact O-CG 3.3Å; D34-L38 PolarHBondContact O-N 3.16Å; L38-G40 PolarHBondContact O-N 2.77Å; L38-K41 PolarHBondContact O-N 3.05Å; L38-I42 HydrophobicContact CD2-CD1 4.49Å; L38-I42 PolarHBondContact O-N 3.47Å; L38-L71 HydrophobicContact CB-CD1 3.56Å; L38-L114 HydrophobicContact CD2-CD1 3.93Å; L38-L114 HydrophobicContact CD2-CD2 3.96Å; L38-F135 HydrophobicContact CD1-CZ 4.33Å; L38-F135 HydrophobicContact CD2-CE2 4.25Å; L38-L137 HydrophobicContact CD1-CD1 4.34Å
39S96.4Very high97.1Very high23 Ų2352.3 Ų52.316%0.16126%0.262CS..Hα-helixtrans-66.2-24.9173.662.10000112.9L35 H36 K41 K43L35-S39 WeakPolarHBondContact O-CB 3.14Å; L35-S39 PolarHBondContact O-N 3.02Å; L35-S39 PolarHBondContact O-OG 3.12Å; H36-S39 PolarHBondContact O-OG 3.03Å; H36-S39 VanDerWaalsContact O-OG 3.04Å; S39-K41 VanDerWaalsContact C-N 3.29Å; S39-K41 PolarHBondContact O-N 3.49Å; S39-K43 PolarHBondContact O-NZ 2.96Å
40G96.3Very high97.1Very high42 Ų4252.4 Ų52.443%0.43326%0.262SS..Hα-helixtrans-62.6-31.8168.100000113.6H36 Y37 L38 K43H36-G40 PolarHBondContact O-N 3.04Å; Y37-G40 WeakPolarHBondContact O-CA 3.45Å; Y37-G40 PolarHBondContact O-N 3.18Å; Y37-G40 VanDerWaalsContact O-N 3.1Å; L38-G40 PolarHBondContact O-N 2.77Å; G40-K43 WeakPolarHBondContact O-CE 3.36Å; G40-K43 PolarHBondContact O-NZ 3.22Å; G40-K43 VanDerWaalsContact O-NZ 3.15Å
41K96.6Very high97.1Very high90 Ų9051 Ų5139%0.39125%0.253SS..Hα-helixtrans-101.2-47.2-175-64.2-66.7-173.8173.10113.5Y37 L38 S39 K43 L114Y37-K41 HydrophobicContact CD1-CG 4.46Å; Y37-K41 HydrophobicContact CE1-CG 4.12Å; Y37-K41 WeakPolarHBondContact O-CG 3.29Å; Y37-K41 PolarHBondContact O-N 3.34Å; L38-K41 PolarHBondContact O-N 3.05Å; S39-K41 VanDerWaalsContact C-N 3.29Å; S39-K41 PolarHBondContact O-N 3.49Å; K41-K43 PolarHBondContact O-N 2.82Å; K41-L114 HydrophobicContact CB-CD1 4.48Å; K41-L114 HydrophobicContact CB-CD2 4.01Å; K41-L114 HydrophobicContact CB-CG 4.22Å; K41-L114 HydrophobicContact CG-CD2 3.92Å
42I97.1Very high97.1Very high2 Ų249.7 Ų49.71%0.0125%0.245CC..  trans-89.9103.9-179.5-58.1161.9000108.4L38 L46 L71 F111 L114 F135L38-I42 HydrophobicContact CD2-CD1 4.49Å; L38-I42 PolarHBondContact O-N 3.47Å; I42-L46 HydrophobicContact CG2-CD1 4.4Å; I42-L46 HydrophobicContact CG2-CD2 3.94Å; I42-L46 HydrophobicContact CG2-CG 4.19Å; I42-L71 HydrophobicContact CB-CD1 3.99Å; I42-L71 HydrophobicContact CB-CG 4.42Å; I42-L71 HydrophobicContact CD1-CD1 3.71Å; I42-L71 HydrophobicContact CG1-CD1 4.4Å; I42-L71 HydrophobicContact CG2-CD1 4.45Å; I42-L71 HydrophobicContact CG2-CG 4.46Å; I42-F111 HydrophobicContact CD1-CD1 4.21Å; I42-F111 HydrophobicContact CD1-CE1 3.53Å; I42-F111 HydrophobicContact CD1-CE2 4.38Å; I42-F111 HydrophobicContact CD1-CZ 3.66Å; I42-F111 HydrophobicContact CG1-CD1 4.48Å; I42-F111 HydrophobicContact CG1-CE1 4.13Å; I42-F111 HydrophobicContact CG1-CE2 4.28Å; I42-F111 HydrophobicContact CG1-CZ 4.04Å; I42-F111 HydrophobicContact CG2-CE2 4.34Å; I42-F111 HydrophobicContact CG2-CZ 4.39Å; I42-L114 HydrophobicContact CD1-CD1 3.56Å; I42-L114 HydrophobicContact CG1-CD1 3.72Å; I42-F135 HydrophobicContact CD1-CE1 4.49Å; I42-F135 HydrophobicContact CD1-CZ 4.29Å
43K94.8Very high97Very high131 Ų13149 Ų4957%0.5724%0.24SC*.  trans-98.8-26.5-178.4-60.9-53.1-174.9-169.90112.6S39 G40 K41 D110S39-K43 PolarHBondContact O-NZ 2.96Å; G40-K43 WeakPolarHBondContact O-CE 3.36Å; G40-K43 PolarHBondContact O-NZ 3.22Å; G40-K43 VanDerWaalsContact O-NZ 3.15Å; K41-K43 PolarHBondContact O-N 2.82Å; K43-D110 PolarHBondContact N-OD2 2.75Å
44S95.9Very high96.8Very high44 Ų4457 Ų5731%0.30828%0.278SS..SBendtrans-66.9156.4173.453.60000112D110S44-D110 VanDerWaalsContact CB-OD2 3.26Å; S44-D110 WeakPolarHBondContact CB-OD2 3.38Å; S44-D110 PolarHBondContact N-OD2 2.74Å; S44-D110 PolarHBondContact OG-OD2 2.92Å
45N97.4Very high96.6Very high93 Ų9355.3 Ų55.350%0.49727%0.271SS..PPolyproline II helixtrans-71.8134.2171.7-68.610.5000109.2N68 A69 T70N45-N68 HydrophobicContact CB-CB 4.31Å; N45-A69 CarbonylContact C-O 3.54Å; N45-A69 WeakPolarHBondContact CA-O 3.02Å; N45-T70 VanDerWaalsContact OD1-CG2 3.29Å; N45-T70 WeakPolarHBondContact OD1-CG2 3.4Å
46L97.7Very high96.4Very high10 Ų1059.5 Ų59.55%0.05229%0.293CS..EExtended strand (participates in β ladder)trans-95.1149165-54.7-172000109.1I42 F48 N68 A69 L71 A100 I103 F111 F135I42-L46 HydrophobicContact CG2-CD1 4.4Å; I42-L46 HydrophobicContact CG2-CD2 3.94Å; I42-L46 HydrophobicContact CG2-CG 4.19Å; L46-F48 HydrophobicContact CB-CD2 4.31Å; L46-F48 HydrophobicContact CB-CE2 3.79Å; L46-F48 HydrophobicContact CB-CZ 4.29Å; L46-F48 WeakPolarHBondContact O-CD2 3.27Å; L46-N68 WeakPolarHBondContact O-CA 3.29Å; L46-A69 PolarHBondContact N-O 3.17Å; L46-A69 PolarHBondContact O-N 2.67Å; L46-L71 HydrophobicContact CD1-CD2 3.74Å; L46-L71 HydrophobicContact CD1-CG 4.41Å; L46-L71 HydrophobicContact CG-CD2 4.44Å; L46-A100 HydrophobicContact CB-CB 4.24Å; L46-A100 HydrophobicContact CD1-CB 4.15Å; L46-I103 HydrophobicContact CB-CD1 4.38Å; L46-I103 HydrophobicContact CD1-CD1 3.92Å; L46-I103 HydrophobicContact CD2-CD1 4Å; L46-I103 HydrophobicContact CG-CD1 4.33Å; L46-F111 HydrophobicContact CD2-CE2 4.16Å; L46-F111 HydrophobicContact CD2-CZ 4.04Å; L46-F135 HydrophobicContact CD1-CE1 4.3Å
47K97.4Very high96.3Very high120 Ų12056.6 Ų56.652%0.52228%0.28SS..EExtended strand (participates in β ladder)trans-83120.5169.1-174.5-178.9178.1-171.70108.3S66 N68K47-S66 VanDerWaalsContact CE-OG 3.26Å; K47-S66 WeakPolarHBondContact CE-OG 3.3Å; K47-N68 WeakPolarHBondContact CA-OD1 3.46Å; K47-N68 WeakPolarHBondContact CB-OD1 3.37Å
48F98.4Very high96.2Very high0 Ų055.1 Ų55.10%028%0.276CS..EExtended strand (participates in β ladder)trans-105.4117.3173.8-68.9-96.3000109.3L46 S66 V67 A69 L71 F74 F88 A98 Y99 A100 L137L46-F48 HydrophobicContact CB-CD2 4.31Å; L46-F48 HydrophobicContact CB-CE2 3.79Å; L46-F48 HydrophobicContact CB-CZ 4.29Å; L46-F48 WeakPolarHBondContact O-CD2 3.27Å; F48-S66 CarbonylContact O-C 3.44Å; F48-S66 WeakPolarHBondContact O-CA 3.27Å; F48-S66 WeakPolarHBondContact O-CB 3.41Å; F48-V67 HydrophobicContact CB-CG2 3.94Å; F48-V67 PolarHBondContact N-O 2.85Å; F48-V67 PolarHBondContact O-N 3.4Å; F48-A69 HydrophobicContact CD2-CB 4.24Å; F48-A69 HydrophobicContact CE2-CB 4.26Å; F48-L71 HydrophobicContact CZ-CD2 3.85Å; F48-F74 HydrophobicContact CD1-CD2 4Å; F48-F74 HydrophobicContact CD1-CE2 4.1Å; F48-F74 HydrophobicContact CE1-CB 4.33Å; F48-F74 HydrophobicContact CE1-CD1 4.31Å; F48-F74 AromaticContact CE1-CD2 3.51Å; F48-F74 HydrophobicContact CE1-CD2 3.51Å; F48-F74 HydrophobicContact CE1-CE1 4.48Å; F48-F74 AromaticContact CE1-CE2 3.72Å; F48-F74 HydrophobicContact CE1-CE2 3.72Å; F48-F74 AromaticContact CE1-CG 3.8Å; F48-F74 HydrophobicContact CE1-CG 3.8Å; F48-F74 HydrophobicContact CE1-CZ 4.19Å; F48-F74 HydrophobicContact CE2-CB 4.41Å; F48-F74 HydrophobicContact CZ-CB 3.86Å; F48-F74 HydrophobicContact CZ-CD1 4.4Å; F48-F74 AromaticContact CZ-CD2 3.93Å; F48-F74 HydrophobicContact CZ-CD2 3.93Å; F48-F74 AromaticContact CZ-CG 3.82Å; F48-F74 HydrophobicContact CZ-CG 3.82Å; F48-F88 HydrophobicContact CB-CE1 3.91Å; F48-F88 HydrophobicContact CB-CZ 4.02Å; F48-F88 HydrophobicContact CD1-CE1 4.46Å; F48-F88 HydrophobicContact CD1-CZ 4.15Å; F48-F88 HydrophobicContact CD2-CE1 4.38Å; F48-F88 AromaticContact CD2-CZ 3.62Å; F48-F88 HydrophobicContact CD2-CZ 3.62Å; F48-F88 HydrophobicContact CE2-CZ 4.04Å; F48-F88 HydrophobicContact CG-CE1 4.02Å; F48-F88 AromaticContact CG-CZ 3.67Å; F48-F88 HydrophobicContact CG-CZ 3.67Å; F48-F88 HydrophobicContact CZ-CZ 4.47Å; F48-A98 HydrophobicContact CB-CB 4.26Å; F48-A98 HydrophobicContact CD1-CB 4.11Å; F48-Y99 CarbonylContact C-O 3.55Å; F48-Y99 WeakPolarHBondContact CA-O 3.27Å; F48-A100 HydrophobicContact CD1-CB 3.79Å; F48-A100 HydrophobicContact CE1-CB 3.69Å; F48-A100 HydrophobicContact CG-CB 4.3Å; F48-A100 HydrophobicContact CZ-CB 4.12Å; F48-L137 HydrophobicContact CE1-CD2 4.24Å; F48-L137 HydrophobicContact CZ-CD2 4.34Å
49R97.9Very high96.1Very high18 Ų1856.4 Ų56.47%0.06828%0.282CS..EExtended strand (participates in β ladder)trans-69.8137.3165.4-177.6171.453.685.5-1.8109.5C64 A98 Y99 D101 H143R49-C64 HydrophobicContact CG-CB 3.49Å; R49-C64 VanDerWaalsContact CG-CB 3.49Å; R49-A98 CarbonylContact O-C 3.46Å; R49-A98 WeakPolarHBondContact O-CA 3.49Å; R49-Y99 PolarHBondContact N-O 2.81Å; R49-Y99 PolarHBondContact O-N 2.91Å; R49-D101 IonicContact CZ-OD2 3.35Å; R49-D101 VanDerWaalsContact CZ-OD2 3.3Å; R49-D101 IonicContact NE-OD2 3.05Å; R49-D101 PolarHBondContact NE-OD2 3.31Å; R49-D101 IonicContact NH2-OD2 3.43Å; R49-D101 PolarHBondContact NH2-OD2 2.9Å; R49-H143 PolarHBondContact NH2-O 3.13Å
50L98.1Very high96Very high1 Ų158.1 Ų58.11%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-113.1127.6-179.1-59-177.7000110.1C64 S65 V67 F88 Y91 W96 C97 A98L50-C64 WeakPolarHBondContact O-CB 3.49Å; L50-S65 WeakPolarHBondContact CB-O 3.49Å; L50-S65 PolarHBondContact N-O 3.36Å; L50-V67 HydrophobicContact CD1-CG1 3.74Å; L50-V67 HydrophobicContact CD1-CG2 4.19Å; L50-V67 HydrophobicContact CD2-CG2 4.19Å; L50-V67 HydrophobicContact CG-CG2 4.35Å; L50-F88 HydrophobicContact CD2-CD1 4.11Å; L50-F88 HydrophobicContact CD2-CE1 4.07Å; L50-Y91 HydrophobicContact CD1-CD1 3.57Å; L50-Y91 HydrophobicContact CD1-CD2 3.24Å; L50-Y91 HydrophobicContact CD1-CE1 3.65Å; L50-Y91 HydrophobicContact CD1-CE2 3.32Å; L50-Y91 HydrophobicContact CD1-CG 3.36Å; L50-W96 HydrophobicContact CB-CE3 4.06Å; L50-W96 HydrophobicContact CB-CZ3 4.32Å; L50-C97 WeakPolarHBondContact CA-O 3.31Å; L50-A98 HydrophobicContact CD2-CB 3.56Å
51A97.4Very high95.8Very high1 Ų158 Ų581%0.00827%0.273CS..EExtended strand (participates in β ladder)trans-131.6151.4175.500000109.2Q59 W96 C97A51-Q59 HydrophobicContact CB-CB 4.38Å; A51-W96 CarbonylContact O-C 3.51Å; A51-W96 WeakPolarHBondContact O-CA 3.41Å; A51-C97 PolarHBondContact N-O 2.9Å; A51-C97 PolarHBondContact O-N 3.43Å; A51-C97 PolarHBondContact O-SG 2.79Å
52K97.1Very high95.6Very high109 Ų10955.1 Ų55.147%0.47426%0.263SS..EExtended strand (participates in β ladder)trans-66.3143.5170.1-63.6-178.4-179.8177.10109.2E54 Q59 S95 W96K52-E54 WeakPolarHBondContact CB-O 3.49Å; K52-E54 PolarHBondContact O-N 3.5Å; K52-Q59 PolarHBondContact O-NE2 3.1Å; K52-S95 WeakPolarHBondContact CA-O 3.46Å; K52-W96 HydrophobicContact CG-CE3 4.39Å; K52-W96 HydrophobicContact CG-CH2 4.15Å; K52-W96 HydrophobicContact CG-CZ2 4.34Å; K52-W96 HydrophobicContact CG-CZ3 4.18Å
53R95.3Very high95.3Very high67 Ų6758.7 Ų58.725%0.25329%0.288SS..SBendtrans-64-31.1174.5-77.8177.8167.2-126.3-1.3113K93 E94 S95 W96 C97 K141R53-K93 PolarHBondContact NE-O 3.13Å; R53-K93 PolarHBondContact NH2-O 3.38Å; R53-E94 VanDerWaalsContact CD-O 3.26Å; R53-E94 WeakPolarHBondContact CD-O 3.17Å; R53-S95 PolarHBondContact N-O 2.72Å; R53-W96 PolarHBondContact NE-O 3.37Å; R53-C97 HydrophobicContact CG-CB 4.49Å; R53-K141 HydrophobicContact CG-CB 4.34Å
54E93.2Very high95.3Very high172 Ų17253.8 Ų53.880%0.80427%0.27SS*.SBendtrans-128.3130.9178.8-64.8176.1-173.100108.8K52K52-E54 WeakPolarHBondContact CB-O 3.49Å; K52-E54 PolarHBondContact O-N 3.5Å
55S93.7Very high95.3Very high29 Ų2954.1 Ų54.120%0.20327%0.272CS..  trans-154.1138.3177.8-178.70000109.3E57 N193S55-E57 WeakPolarHBondContact CB-O 3.38Å; S55-E57 PolarHBondContact OG-N 3.4Å; S55-E57 PolarHBondContact OG-O 2.89Å; S55-N193 PolarHBondContact O-ND2 2.86Å
56I92.1Very high95.3Very high94 Ų9452.3 Ų52.348%0.48227%0.267SS..SBendtrans-78.8-24.4172.459.2169.9000111.8N193 L196I56-N193 VanDerWaalsContact C-ND2 3.25Å; I56-N193 PolarHBondContact O-ND2 3.23Å; I56-L196 HydrophobicContact CG2-CD2 4.3Å
57E92.9Very high95.2Very high92 Ų9252.6 Ų52.643%0.4327%0.269SS..SBendtrans-106.9158.4178.1-69.2-59.415600112.5S55 Q59 N193 K201S55-E57 WeakPolarHBondContact CB-O 3.38Å; S55-E57 PolarHBondContact OG-N 3.4Å; S55-E57 PolarHBondContact OG-O 2.89Å; E57-Q59 PolarHBondContact O-N 3.1Å; E57-N193 PolarHBondContact O-ND2 3.47Å; E57-K201 VanDerWaalsContact CD-NZ 3.26Å; E57-K201 IonicContact OE1-NZ 2.7Å; E57-K201 PolarHBondContact OE1-NZ 3.37Å; E57-K201 IonicContact OE2-NZ 3.45Å; E57-K201 PolarHBondContact OE2-NZ 3.2Å
58V95.8Very high95.3Very high19 Ų1951.5 Ų51.512%0.11527%0.269CS..  trans-60.5131.6171.8-179.60000109.4W60 I145 K191 N193V58-W60 HydrophobicContact CB-CZ2 4.24Å; V58-W60 HydrophobicContact CG1-CD2 3.8Å; V58-W60 HydrophobicContact CG1-CE3 4.19Å; V58-W60 HydrophobicContact CG1-CG 4.22Å; V58-W60 HydrophobicContact CG1-CH2 4.32Å; V58-W60 HydrophobicContact CG1-CZ2 3.94Å; V58-W60 HydrophobicContact CG1-CZ3 4.44Å; V58-W60 PolarHBondContact O-N 3.22Å; V58-I145 HydrophobicContact CG1-CD1 4.13Å; V58-I145 HydrophobicContact CG1-CG1 4.18Å; V58-I145 HydrophobicContact CG1-CG2 4.05Å; V58-K191 WeakPolarHBondContact CG2-O 3.5Å; V58-N193 HydrophobicContact CG2-CB 3.87Å
59Q95.7Very high95.3Very high28 Ų2851.5 Ų51.513%0.13127%0.269CS..  trans-9480.4176.2-64.6-174.689.800109.6A51 K52 E57A51-Q59 HydrophobicContact CB-CB 4.38Å; K52-Q59 PolarHBondContact O-NE2 3.1Å; E57-Q59 PolarHBondContact O-N 3.1Å
60W94.9Very high95.3Very high58 Ų5852.3 Ų52.322%0.2228%0.276CS..  trans-55.5134.4178.9-62.8106.4000111.7V58 T62 S63 C64 I145 T179 L181 P182 F189V58-W60 HydrophobicContact CB-CZ2 4.24Å; V58-W60 HydrophobicContact CG1-CD2 3.8Å; V58-W60 HydrophobicContact CG1-CE3 4.19Å; V58-W60 HydrophobicContact CG1-CG 4.22Å; V58-W60 HydrophobicContact CG1-CH2 4.32Å; V58-W60 HydrophobicContact CG1-CZ2 3.94Å; V58-W60 HydrophobicContact CG1-CZ3 4.44Å; V58-W60 PolarHBondContact O-N 3.22Å; W60-T62 VanDerWaalsContact C-N 3.26Å; W60-T62 PolarHBondContact O-N 2.86Å; W60-S63 CarbonylContact O-C 3.57Å; W60-S63 WeakPolarHBondContact O-CA 3.14Å; W60-S63 WeakPolarHBondContact O-CB 3.28Å; W60-S63 PolarHBondContact O-N 2.73Å; W60-C64 PolarHBondContact O-N 2.99Å; W60-C64 VanDerWaalsContact O-N 3.11Å; W60-C64 PolarHBondContact O-SG 3.36Å; W60-I145 HydrophobicContact CD2-CD1 4.33Å; W60-I145 HydrophobicContact CE3-CD1 3.67Å; W60-I145 HydrophobicContact CZ3-CD1 4.25Å; W60-I145 HydrophobicContact CZ3-CG2 4.15Å; W60-T179 HydrophobicContact CH2-CG2 3.77Å; W60-T179 HydrophobicContact CZ3-CG2 4.4Å; W60-L181 WeakPolarHBondContact CZ3-O 3.29Å; W60-P182 HydrophobicContact CE3-CG 4.39Å; W60-F189 HydrophobicContact CH2-CB 4.16Å; W60-F189 HydrophobicContact CZ3-CB 3.78Å; W60-F189 HydrophobicContact CZ3-CD1 4.45Å; W60-F189 HydrophobicContact CZ3-CD2 4.46Å; W60-F189 AromaticContact CZ3-CG 4Å; W60-F189 HydrophobicContact CZ3-CG 4Å
61E93Very high95.3Very high39 Ų3952.2 Ų52.218%0.18228%0.275CS..G310 helixtrans-61.2-36.3-173.3-60.3-179172.400112.5S63 C64 I145 H284E61-S63 PolarHBondContact O-N 3.36Å; E61-C64 PolarHBondContact O-N 3.45Å; E61-I145 HydrophobicContact CG-CD1 3.96Å; E61-H284 IonicContact OE2-CD2 3.3Å; E61-H284 IonicContact OE2-NE2 3.68Å
62T91.6Very high95.2Very high31 Ų3154.4 Ų54.419%0.1929%0.293CS..G310 helixtrans-67.3-19.2174.756.30000113.9W60 P182 V281W60-T62 VanDerWaalsContact C-N 3.26Å; W60-T62 PolarHBondContact O-N 2.86Å; T62-P182 HydrophobicContact CG2-CB 3.69Å; T62-P182 HydrophobicContact CG2-CG 3.96Å; T62-V281 WeakPolarHBondContact CB-O 3.39Å; T62-V281 PolarHBondContact OG1-O 2.7Å
63S91.5Very high95.2Very high77 Ų7751.5 Ų51.554%0.53828%0.281SS..G310 helixtrans-100-10.1178.7-58.30000113W60 E61W60-S63 CarbonylContact O-C 3.57Å; W60-S63 WeakPolarHBondContact O-CA 3.14Å; W60-S63 WeakPolarHBondContact O-CB 3.28Å; W60-S63 PolarHBondContact O-N 2.73Å; E61-S63 PolarHBondContact O-N 3.36Å
64C94.3Very high95.3Very high27 Ų2748.3 Ų48.318%0.18227%0.269CS..SBendtrans-76.8142.2179-75.20000111.7R49 L50 W60 E61R49-C64 HydrophobicContact CG-CB 3.49Å; R49-C64 VanDerWaalsContact CG-CB 3.49Å; L50-C64 WeakPolarHBondContact O-CB 3.49Å; W60-C64 PolarHBondContact O-N 2.99Å; W60-C64 VanDerWaalsContact O-N 3.11Å; W60-C64 PolarHBondContact O-SG 3.36Å; E61-C64 PolarHBondContact O-N 3.45Å
65S95.6Very high95.5Very high52 Ų5242.8 Ų42.836%0.36425%0.245SC..EExtended strand (participates in β ladder)trans-63.3156.5163.3-67.20000110.4L50L50-S65 WeakPolarHBondContact CB-O 3.49Å; L50-S65 PolarHBondContact N-O 3.36Å
66S96.8Very high95.6Very high55 Ų5544.8 Ų44.839%0.38525%0.251SS..EExtended strand (participates in β ladder)trans-138.1152.6170.666.40000111.9K47 F48K47-S66 VanDerWaalsContact CE-OG 3.26Å; K47-S66 WeakPolarHBondContact CE-OG 3.3Å; F48-S66 CarbonylContact O-C 3.44Å; F48-S66 WeakPolarHBondContact O-CA 3.27Å; F48-S66 WeakPolarHBondContact O-CB 3.41Å
67V97.7Very high95.8Very high15 Ų1541.1 Ų41.19%0.09123%0.232CC..EExtended strand (participates in β ladder)trans-125.1139.6171.7-65.30000109.9F48 L50 P87 F88 Y91F48-V67 HydrophobicContact CB-CG2 3.94Å; F48-V67 PolarHBondContact N-O 2.85Å; F48-V67 PolarHBondContact O-N 3.4Å; L50-V67 HydrophobicContact CD1-CG1 3.74Å; L50-V67 HydrophobicContact CD1-CG2 4.19Å; L50-V67 HydrophobicContact CD2-CG2 4.19Å; L50-V67 HydrophobicContact CG-CG2 4.35Å; V67-P87 HydrophobicContact CB-CB 4.27Å; V67-P87 WeakPolarHBondContact CG1-O 3.3Å; V67-F88 HydrophobicContact CG2-CD1 3.5Å; V67-F88 VanDerWaalsContact CG2-CD1 3.5Å; V67-F88 HydrophobicContact CG2-CE1 3.17Å; V67-F88 HydrophobicContact CG2-CE2 4.31Å; V67-F88 HydrophobicContact CG2-CG 4.18Å; V67-F88 HydrophobicContact CG2-CZ 3.63Å; V67-Y91 HydrophobicContact CG1-CD2 4.21Å; V67-Y91 HydrophobicContact CG1-CE2 3.77Å
68N98.2Very high96Very high98 Ų9837 Ų3752%0.52421%0.212SC..EExtended strand (participates in β ladder)trans-94.6117.7170.3-68.6-35.5000107.8N45 L46 K47N45-N68 HydrophobicContact CB-CB 4.31Å; L46-N68 WeakPolarHBondContact O-CA 3.29Å; K47-N68 WeakPolarHBondContact CA-OD1 3.46Å; K47-N68 WeakPolarHBondContact CB-OD1 3.37Å
69A98.1Very high95.9Very high0 Ų040.3 Ų40.30%023%0.23CC..EExtended strand (participates in β ladder)trans-147.4154.5-174.400000111.5N45 L46 F48 E73 P87 F88N45-A69 CarbonylContact C-O 3.54Å; N45-A69 WeakPolarHBondContact CA-O 3.02Å; L46-A69 PolarHBondContact N-O 3.17Å; L46-A69 PolarHBondContact O-N 2.67Å; F48-A69 HydrophobicContact CD2-CB 4.24Å; F48-A69 HydrophobicContact CE2-CB 4.26Å; A69-E73 WeakPolarHBondContact CA-OE2 3.38Å; A69-E73 HydrophobicContact CB-CB 4.28Å; A69-P87 HydrophobicContact CB-CB 4.2Å; A69-P87 HydrophobicContact CB-CG 4.1Å; A69-F88 HydrophobicContact CB-CD2 4.17Å; A69-F88 HydrophobicContact CB-CE2 3.32Å; A69-F88 HydrophobicContact CB-CZ 3.8Å
70T97.7Very high95.8Very high34 Ų3447.1 Ų47.121%0.20925%0.254CS..  trans-74161.316964.10000110.9N45 A72 E73 F74N45-T70 VanDerWaalsContact OD1-CG2 3.29Å; N45-T70 WeakPolarHBondContact OD1-CG2 3.4Å; T70-A72 PolarHBondContact O-N 3.02Å; T70-E73 WeakPolarHBondContact CB-OE2 3.37Å; T70-E73 PolarHBondContact N-OE2 2.86Å; T70-E73 PolarHBondContact O-N 3.07Å; T70-E73 WeakPolarHBondContact OG1-CG 3.21Å; T70-E73 PolarHBondContact OG1-N 3.04Å; T70-E73 PolarHBondContact OG1-OE2 3.27Å; T70-F74 PolarHBondContact O-N 3.41Å
71L97.8Very high95.6Very high0 Ų048 Ų480%027%0.265CS..Hα-helixtrans-66.6-23.3172.8-64.7-166.9000113.3L38 I42 L46 F48 N75 L137L38-L71 HydrophobicContact CB-CD1 3.56Å; I42-L71 HydrophobicContact CB-CD1 3.99Å; I42-L71 HydrophobicContact CB-CG 4.42Å; I42-L71 HydrophobicContact CD1-CD1 3.71Å; I42-L71 HydrophobicContact CG1-CD1 4.4Å; I42-L71 HydrophobicContact CG2-CD1 4.45Å; I42-L71 HydrophobicContact CG2-CG 4.46Å; L46-L71 HydrophobicContact CD1-CD2 3.74Å; L46-L71 HydrophobicContact CD1-CG 4.41Å; L46-L71 HydrophobicContact CG-CD2 4.44Å; F48-L71 HydrophobicContact CZ-CD2 3.85Å; L71-N75 VanDerWaalsContact O-CB 3.26Å; L71-N75 WeakPolarHBondContact O-CB 3.41Å; L71-N75 PolarHBondContact O-N 2.9Å; L71-L137 HydrophobicContact CD1-CD2 4.47Å; L71-L137 HydrophobicContact CD2-CD2 3.35Å
72A95.9Very high95.1Very high46 Ų4653.1 Ų53.138%0.3829%0.294SS..Hα-helixtrans-67.6-47.1173.400000110.9T70 F74 N75 E76T70-A72 PolarHBondContact O-N 3.02Å; A72-F74 VanDerWaalsContact C-N 3.35Å; A72-F74 PolarHBondContact O-N 2.97Å; A72-N75 WeakPolarHBondContact O-CB 3.15Å; A72-N75 PolarHBondContact O-N 2.83Å; A72-N75 VanDerWaalsContact O-N 3.17Å; A72-E76 WeakPolarHBondContact O-CG 3.35Å; A72-E76 PolarHBondContact O-N 3.27Å
73E97.6Very high95Very high49 Ų4953.1 Ų53.123%0.22930%0.296CS..Hα-helixtrans-64.5-38.4175.7-70.3162.2135.600111.9A69 T70 N75 E76 W77 N86 P87A69-E73 WeakPolarHBondContact CA-OE2 3.38Å; A69-E73 HydrophobicContact CB-CB 4.28Å; T70-E73 WeakPolarHBondContact CB-OE2 3.37Å; T70-E73 PolarHBondContact N-OE2 2.86Å; T70-E73 PolarHBondContact O-N 3.07Å; T70-E73 WeakPolarHBondContact OG1-CG 3.21Å; T70-E73 PolarHBondContact OG1-N 3.04Å; T70-E73 PolarHBondContact OG1-OE2 3.27Å; E73-N75 VanDerWaalsContact C-N 3.35Å; E73-E76 PolarHBondContact O-N 3.07Å; E73-W77 WeakPolarHBondContact O-CB 3.37Å; E73-W77 PolarHBondContact O-N 3.34Å; E73-N86 PolarHBondContact O-ND2 2.88Å; E73-P87 VanDerWaalsContact OE1-CD 3.32Å; E73-P87 WeakPolarHBondContact OE1-CD 3.41Å
74F98Very high94.9Very high0 Ų057 Ų570%031%0.307CS..Hα-helixtrans-62.3-42172.2176.6-108.5000111.9L35 F48 T70 A72 W77 I78 F88 A98 L137 F239L35-F74 HydrophobicContact CD1-CD1 4.28Å; L35-F74 HydrophobicContact CD1-CE1 4.3Å; L35-F74 HydrophobicContact CD2-CD1 3.88Å; L35-F74 HydrophobicContact CD2-CE1 3.98Å; F48-F74 HydrophobicContact CD1-CD2 4Å; F48-F74 HydrophobicContact CD1-CE2 4.1Å; F48-F74 HydrophobicContact CE1-CB 4.33Å; F48-F74 HydrophobicContact CE1-CD1 4.31Å; F48-F74 AromaticContact CE1-CD2 3.51Å; F48-F74 HydrophobicContact CE1-CD2 3.51Å; F48-F74 HydrophobicContact CE1-CE1 4.48Å; F48-F74 AromaticContact CE1-CE2 3.72Å; F48-F74 HydrophobicContact CE1-CE2 3.72Å; F48-F74 AromaticContact CE1-CG 3.8Å; F48-F74 HydrophobicContact CE1-CG 3.8Å; F48-F74 HydrophobicContact CE1-CZ 4.19Å; F48-F74 HydrophobicContact CE2-CB 4.41Å; F48-F74 HydrophobicContact CZ-CB 3.86Å; F48-F74 HydrophobicContact CZ-CD1 4.4Å; F48-F74 AromaticContact CZ-CD2 3.93Å; F48-F74 HydrophobicContact CZ-CD2 3.93Å; F48-F74 AromaticContact CZ-CG 3.82Å; F48-F74 HydrophobicContact CZ-CG 3.82Å; T70-F74 PolarHBondContact O-N 3.41Å; A72-F74 VanDerWaalsContact C-N 3.35Å; A72-F74 PolarHBondContact O-N 2.97Å; F74-W77 AromaticContact CD2-CE3 3.95Å; F74-W77 HydrophobicContact CD2-CE3 3.95Å; F74-W77 HydrophobicContact CD2-CZ3 4.25Å; F74-W77 HydrophobicContact CE2-CE3 4.01Å; F74-W77 AromaticContact CE2-CZ3 3.86Å; F74-W77 HydrophobicContact CE2-CZ3 3.86Å; F74-W77 PolarHBondContact O-N 3.46Å; F74-I78 HydrophobicContact CD1-CD1 3.97Å; F74-I78 HydrophobicContact CD2-CD1 4.45Å; F74-I78 HydrophobicContact CE1-CD1 3.31Å; F74-I78 HydrophobicContact CE1-CG1 4.29Å; F74-I78 HydrophobicContact CE2-CD1 3.86Å; F74-I78 HydrophobicContact CE2-CG1 4.21Å; F74-I78 HydrophobicContact CZ-CD1 3.27Å; F74-I78 HydrophobicContact CZ-CG1 4.12Å; F74-I78 WeakPolarHBondContact O-CB 3.38Å; F74-I78 WeakPolarHBondContact O-CG1 3.31Å; F74-I78 PolarHBondContact O-N 3.42Å; F74-F88 HydrophobicContact CB-CE2 3.98Å; F74-F88 HydrophobicContact CB-CZ 4.22Å; F74-F88 HydrophobicContact CD2-CE1 4.35Å; F74-F88 HydrophobicContact CD2-CE2 4.3Å; F74-F88 AromaticContact CD2-CZ 3.86Å; F74-F88 HydrophobicContact CD2-CZ 3.86Å; F74-A98 HydrophobicContact CD2-CB 4.45Å; F74-A98 HydrophobicContact CE2-CB 3.98Å; F74-L137 HydrophobicContact CD1-CD2 3.98Å; F74-L137 HydrophobicContact CE1-CD2 3.78Å; F74-L137 HydrophobicContact CE1-CG 4.08Å; F74-L137 HydrophobicContact CZ-CD2 4.49Å; F74-F239 HydrophobicContact CE1-CB 4.22Å; F74-F239 HydrophobicContact CZ-CB 4.47Å
75N96.3Very high95Very high56 Ų5660.7 Ų60.730%0.29933%0.333SS..Hα-helixtrans-65.7-41.2176.5-176.463.6000112.1L35 L71 A72 E73 I78 N79L35-N75 HydrophobicContact CB-CB 4.25Å; L35-N75 HydrophobicContact CD1-CB 4.02Å; L35-N75 VanDerWaalsContact CD1-OD1 3.27Å; L35-N75 WeakPolarHBondContact CD1-OD1 3.19Å; L71-N75 VanDerWaalsContact O-CB 3.26Å; L71-N75 WeakPolarHBondContact O-CB 3.41Å; L71-N75 PolarHBondContact O-N 2.9Å; A72-N75 WeakPolarHBondContact O-CB 3.15Å; A72-N75 PolarHBondContact O-N 2.83Å; A72-N75 VanDerWaalsContact O-N 3.17Å; E73-N75 VanDerWaalsContact C-N 3.35Å; N75-I78 PolarHBondContact O-N 2.97Å; N75-N79 WeakPolarHBondContact O-CB 3.43Å; N75-N79 PolarHBondContact O-N 2.81Å; N75-N79 PolarHBondContact O-ND2 3.1Å; N75-N79 PolarHBondContact OD1-ND2 3.06Å
76E96.1Very high95Very high70 Ų7058.5 Ų58.533%0.32732%0.317SS..Hα-helixtrans-58-48.6172.1-78.2176.3-176.700111.7A72 E73 I78 N79 R80 V81 N86A72-E76 WeakPolarHBondContact O-CG 3.35Å; A72-E76 PolarHBondContact O-N 3.27Å; E73-E76 PolarHBondContact O-N 3.07Å; E76-I78 PolarHBondContact O-N 3.47Å; E76-N79 CarbonylContact O-C 3.6Å; E76-N79 PolarHBondContact O-N 3.16Å; E76-N79 VanDerWaalsContact O-N 3.15Å; E76-R80 PolarHBondContact O-N 3.31Å; E76-V81 HydrophobicContact CB-CB 3.94Å; E76-V81 HydrophobicContact CB-CG2 4.29Å; E76-V81 HydrophobicContact CG-CB 4.19Å; E76-V81 HydrophobicContact CG-CG1 4.36Å; E76-V81 HydrophobicContact CG-CG2 4.32Å; E76-V81 PolarHBondContact O-N 3.27Å; E76-N86 PolarHBondContact OE2-ND2 3.44Å
77W97.2Very high95.1Very high18 Ų1857.9 Ų57.97%0.06831%0.312CS..Hα-helixtrans-60.9-44.9178.4174.271.2000112E73 F74 N79 R80 F88 Y91 K93 A98E73-W77 WeakPolarHBondContact O-CB 3.37Å; E73-W77 PolarHBondContact O-N 3.34Å; F74-W77 AromaticContact CD2-CE3 3.95Å; F74-W77 HydrophobicContact CD2-CE3 3.95Å; F74-W77 HydrophobicContact CD2-CZ3 4.25Å; F74-W77 HydrophobicContact CE2-CE3 4.01Å; F74-W77 AromaticContact CE2-CZ3 3.86Å; F74-W77 HydrophobicContact CE2-CZ3 3.86Å; F74-W77 PolarHBondContact O-N 3.46Å; W77-N79 VanDerWaalsContact C-N 3.27Å; W77-N79 PolarHBondContact O-N 2.7Å; W77-R80 PolarHBondContact O-N 3.15Å; W77-R80 VanDerWaalsContact O-N 3.16Å; W77-F88 HydrophobicContact CB-CB 3.85Å; W77-F88 HydrophobicContact CB-CD2 3.94Å; W77-F88 HydrophobicContact CB-CG 4.02Å; W77-F88 HydrophobicContact CD2-CB 3.94Å; W77-F88 HydrophobicContact CD2-CD1 4.06Å; W77-F88 AromaticContact CD2-CG 3.99Å; W77-F88 HydrophobicContact CD2-CG 3.99Å; W77-F88 HydrophobicContact CE3-CD1 4.3Å; W77-F88 HydrophobicContact CG-CB 3.39Å; W77-F88 HydrophobicContact CG-CD1 4.32Å; W77-F88 HydrophobicContact CG-CD2 4.19Å; W77-F88 AromaticContact CG-CG 3.75Å; W77-F88 HydrophobicContact CG-CG 3.75Å; W77-Y91 WeakPolarHBondContact CZ2-O 3.09Å; W77-Y91 PolarHBondContact NE1-O 3.34Å; W77-K93 HydrophobicContact CH2-CB 4.45Å; W77-K93 HydrophobicContact CH2-CG 4.36Å; W77-K93 HydrophobicContact CZ2-CB 3.95Å; W77-K93 HydrophobicContact CZ2-CG 4.35Å; W77-A98 HydrophobicContact CE3-CB 4.47Å; W77-A98 HydrophobicContact CH2-CB 3.81Å; W77-A98 HydrophobicContact CZ3-CB 3.67Å
78I95.7Very high95.1Very high4 Ų457.1 Ų57.12%0.02131%0.307CS..Hα-helixtrans-60.2-38.4175.5-80.1-171.2000111.9L35 F74 N75 E76 R80 K93 D238 F239L35-I78 HydrophobicContact CD1-CD1 4.29Å; F74-I78 HydrophobicContact CD1-CD1 3.97Å; F74-I78 HydrophobicContact CD2-CD1 4.45Å; F74-I78 HydrophobicContact CE1-CD1 3.31Å; F74-I78 HydrophobicContact CE1-CG1 4.29Å; F74-I78 HydrophobicContact CE2-CD1 3.86Å; F74-I78 HydrophobicContact CE2-CG1 4.21Å; F74-I78 HydrophobicContact CZ-CD1 3.27Å; F74-I78 HydrophobicContact CZ-CG1 4.12Å; F74-I78 WeakPolarHBondContact O-CB 3.38Å; F74-I78 WeakPolarHBondContact O-CG1 3.31Å; F74-I78 PolarHBondContact O-N 3.42Å; N75-I78 PolarHBondContact O-N 2.97Å; E76-I78 PolarHBondContact O-N 3.47Å; I78-R80 VanDerWaalsContact C-N 3.28Å; I78-R80 PolarHBondContact O-N 2.96Å; I78-K93 VanDerWaalsContact O-CD 3.3Å; I78-K93 WeakPolarHBondContact O-CD 3.49Å; I78-K93 WeakPolarHBondContact O-CE 3.37Å; I78-K93 PolarHBondContact O-NZ 2.96Å; I78-D238 HydrophobicContact CG2-CB 3.67Å; I78-F239 HydrophobicContact CD1-CB 3.7Å
79N94.7Very high95Very high90 Ų9055.2 Ų55.248%0.48130%0.301SS..THydrogen-bonded Turntrans-88.18.3-179-69.7-63.4000113.4N75 E76 W77 V81N75-N79 WeakPolarHBondContact O-CB 3.43Å; N75-N79 PolarHBondContact O-N 2.81Å; N75-N79 PolarHBondContact O-ND2 3.1Å; N75-N79 PolarHBondContact OD1-ND2 3.06Å; E76-N79 CarbonylContact O-C 3.6Å; E76-N79 PolarHBondContact O-N 3.16Å; E76-N79 VanDerWaalsContact O-N 3.15Å; W77-N79 VanDerWaalsContact C-N 3.27Å; W77-N79 PolarHBondContact O-N 2.7Å; N79-V81 HydrophobicContact CB-CG2 4.37Å; N79-V81 PolarHBondContact O-N 3.48Å
80R92.7Very high94.8Very high171 Ų17163.3 Ų63.365%0.64534%0.337SS*.THydrogen-bonded Turntrans57.935.6179.9-51.4176.6176.1123.5-2.7113.2E76 W77 I78 D82 E94E76-R80 PolarHBondContact O-N 3.31Å; W77-R80 PolarHBondContact O-N 3.15Å; W77-R80 VanDerWaalsContact O-N 3.16Å; I78-R80 VanDerWaalsContact C-N 3.28Å; I78-R80 PolarHBondContact O-N 2.96Å; R80-D82 PolarHBondContact O-N 3.09Å; R80-E94 IonicContact CZ-OE1 2.76Å; R80-E94 IonicContact NE-OE1 2.67Å; R80-E94 PolarHBondContact NE-OE1 3.25Å; R80-E94 IonicContact NH2-OE1 3.88Å; R80-E94 PolarHBondContact NH2-OE1 3.25Å
81V90.5Very high94.8Very high75 Ų7563.7 Ų63.746%0.45534%0.335SS..  trans-71.1113.4170.1179.70000107.3E76 N79 S83E76-V81 HydrophobicContact CB-CB 3.94Å; E76-V81 HydrophobicContact CB-CG2 4.29Å; E76-V81 HydrophobicContact CG-CB 4.19Å; E76-V81 HydrophobicContact CG-CG1 4.36Å; E76-V81 HydrophobicContact CG-CG2 4.32Å; E76-V81 PolarHBondContact O-N 3.27Å; N79-V81 HydrophobicContact CB-CG2 4.37Å; N79-V81 PolarHBondContact O-N 3.48Å; V81-S83 PolarHBondContact O-N 2.66Å
82D82.3Confident94.7Very high148 Ų14866.9 Ų66.979%0.79136%0.355SS*.  trans-68.9114.2178.2-170.919.6000109.6R80R80-D82 PolarHBondContact O-N 3.09Å
83S90.5Very high94.6Very high31 Ų3165.2 Ų65.222%0.21734%0.34CS..  trans-149.7102.8-178175.20000108.1V81 S85 N86V81-S83 PolarHBondContact O-N 2.66Å; S83-S85 PolarHBondContact O-N 3.18Å; S83-S85 VanDerWaalsContact O-N 3.15Å; S83-S85 PolarHBondContact OG-OG 2.78Å; S83-S85 VanDerWaalsContact OG-OG 3.11Å; S83-N86 WeakPolarHBondContact O-CB 3.02Å; S83-N86 PolarHBondContact O-N 2.69Å
84M89.8Confident94.4Very high159 Ų15967.8 Ų67.878%0.78335%0.351SS*.THydrogen-bonded Turntrans-62.4-20.6179.4-67.7-58.3-6100112.9
85S95.3Very high94.3Very high104 Ų10471 Ų7173%0.72737%0.374SS*.THydrogen-bonded Turntrans-82.9-14.9174.252.30000113.5S83S83-S85 PolarHBondContact O-N 3.18Å; S83-S85 VanDerWaalsContact O-N 3.15Å; S83-S85 PolarHBondContact OG-OG 2.78Å; S83-S85 VanDerWaalsContact OG-OG 3.11Å
86N97.2Very high94.4Very high6 Ų670.9 Ų70.93%0.03237%0.369CS..SBendtrans-65.9130.4-178.3-172.7-55.7000110E73 E76 S83 F88 S89E73-N86 PolarHBondContact O-ND2 2.88Å; E76-N86 PolarHBondContact OE2-ND2 3.44Å; S83-N86 WeakPolarHBondContact O-CB 3.02Å; S83-N86 PolarHBondContact O-N 2.69Å; N86-F88 PolarHBondContact O-N 2.94Å; N86-F88 WeakPolarHBondContact OD1-CB 3.45Å; N86-F88 VanDerWaalsContact OD1-CD2 3.29Å; N86-F88 WeakPolarHBondContact OD1-CD2 3.36Å; N86-F88 PolarHBondContact OD1-N 3.43Å; N86-S89 WeakPolarHBondContact O-CB 3.42Å; N86-S89 PolarHBondContact O-N 3.09Å; N86-S89 PolarHBondContact O-OG 2.93Å
87P97.6Very high94.4Very high41 Ų4167.7 Ų67.727%0.26635%0.354SS..THydrogen-bonded Turntrans-55.8-26.1-179.1-27.935.3000114.5V67 A69 E73V67-P87 HydrophobicContact CB-CB 4.27Å; V67-P87 WeakPolarHBondContact CG1-O 3.3Å; A69-P87 HydrophobicContact CB-CB 4.2Å; A69-P87 HydrophobicContact CB-CG 4.1Å; E73-P87 VanDerWaalsContact OE1-CD 3.32Å; E73-P87 WeakPolarHBondContact OE1-CD 3.41Å
88F97.7Very high94.5Very high0 Ų066.8 Ų66.80%035%0.351CS..THydrogen-bonded Turntrans-85.2-2.3178.9-61-86.9000114.2F48 L50 V67 A69 F74 W77 N86 K90 Y91 A98F48-F88 HydrophobicContact CB-CE1 3.91Å; F48-F88 HydrophobicContact CB-CZ 4.02Å; F48-F88 HydrophobicContact CD1-CE1 4.46Å; F48-F88 HydrophobicContact CD1-CZ 4.15Å; F48-F88 HydrophobicContact CD2-CE1 4.38Å; F48-F88 AromaticContact CD2-CZ 3.62Å; F48-F88 HydrophobicContact CD2-CZ 3.62Å; F48-F88 HydrophobicContact CE2-CZ 4.04Å; F48-F88 HydrophobicContact CG-CE1 4.02Å; F48-F88 AromaticContact CG-CZ 3.67Å; F48-F88 HydrophobicContact CG-CZ 3.67Å; F48-F88 HydrophobicContact CZ-CZ 4.47Å; L50-F88 HydrophobicContact CD2-CD1 4.11Å; L50-F88 HydrophobicContact CD2-CE1 4.07Å; V67-F88 HydrophobicContact CG2-CD1 3.5Å; V67-F88 VanDerWaalsContact CG2-CD1 3.5Å; V67-F88 HydrophobicContact CG2-CE1 3.17Å; V67-F88 HydrophobicContact CG2-CE2 4.31Å; V67-F88 HydrophobicContact CG2-CG 4.18Å; V67-F88 HydrophobicContact CG2-CZ 3.63Å; A69-F88 HydrophobicContact CB-CD2 4.17Å; A69-F88 HydrophobicContact CB-CE2 3.32Å; A69-F88 HydrophobicContact CB-CZ 3.8Å; F74-F88 HydrophobicContact CB-CE2 3.98Å; F74-F88 HydrophobicContact CB-CZ 4.22Å; F74-F88 HydrophobicContact CD2-CE1 4.35Å; F74-F88 HydrophobicContact CD2-CE2 4.3Å; F74-F88 AromaticContact CD2-CZ 3.86Å; F74-F88 HydrophobicContact CD2-CZ 3.86Å; W77-F88 HydrophobicContact CB-CB 3.85Å; W77-F88 HydrophobicContact CB-CD2 3.94Å; W77-F88 HydrophobicContact CB-CG 4.02Å; W77-F88 HydrophobicContact CD2-CB 3.94Å; W77-F88 HydrophobicContact CD2-CD1 4.06Å; W77-F88 AromaticContact CD2-CG 3.99Å; W77-F88 HydrophobicContact CD2-CG 3.99Å; W77-F88 HydrophobicContact CE3-CD1 4.3Å; W77-F88 HydrophobicContact CG-CB 3.39Å; W77-F88 HydrophobicContact CG-CD1 4.32Å; W77-F88 HydrophobicContact CG-CD2 4.19Å; W77-F88 AromaticContact CG-CG 3.75Å; W77-F88 HydrophobicContact CG-CG 3.75Å; N86-F88 PolarHBondContact O-N 2.94Å; N86-F88 WeakPolarHBondContact OD1-CB 3.45Å; N86-F88 VanDerWaalsContact OD1-CD2 3.29Å; N86-F88 WeakPolarHBondContact OD1-CD2 3.36Å; N86-F88 PolarHBondContact OD1-N 3.43Å; F88-K90 PolarHBondContact O-N 3.26Å; F88-Y91 CarbonylContact O-C 3.49Å; F88-Y91 WeakPolarHBondContact O-CA 3.39Å; F88-Y91 PolarHBondContact O-N 3.24Å; F88-A98 HydrophobicContact CD1-CB 4.32Å; F88-A98 HydrophobicContact CE1-CB 3.68Å
89S96Very high94.6Very high57 Ų5767 Ų6740%0.39935%0.352SS..THydrogen-bonded Turntrans-52.7-31.3-173.851.90000115.1N86 Y91N86-S89 WeakPolarHBondContact O-CB 3.42Å; N86-S89 PolarHBondContact O-N 3.09Å; N86-S89 PolarHBondContact O-OG 2.93Å; S89-Y91 VanDerWaalsContact C-N 3.26Å; S89-Y91 PolarHBondContact O-N 3.44Å
90K95.2Very high94.8Very high171 Ų17162.7 Ų62.774%0.74333%0.329SS*.THydrogen-bonded Turntrans-79.5-4177.1-64.9-177.9-178.5177.10114.4F88F88-K90 PolarHBondContact O-N 3.26Å
91Y96.7Very high94.9Very high42 Ų4256.4 Ų56.417%0.16531%0.308CS..SBendtrans-129.477.5-169.4-55.1-79.8000109.9L50 V67 W77 F88 S89 K93 W96L50-Y91 HydrophobicContact CD1-CD1 3.57Å; L50-Y91 HydrophobicContact CD1-CD2 3.24Å; L50-Y91 HydrophobicContact CD1-CE1 3.65Å; L50-Y91 HydrophobicContact CD1-CE2 3.32Å; L50-Y91 HydrophobicContact CD1-CG 3.36Å; V67-Y91 HydrophobicContact CG1-CD2 4.21Å; V67-Y91 HydrophobicContact CG1-CE2 3.77Å; W77-Y91 WeakPolarHBondContact CZ2-O 3.09Å; W77-Y91 PolarHBondContact NE1-O 3.34Å; F88-Y91 CarbonylContact O-C 3.49Å; F88-Y91 WeakPolarHBondContact O-CA 3.39Å; F88-Y91 PolarHBondContact O-N 3.24Å; S89-Y91 VanDerWaalsContact C-N 3.26Å; S89-Y91 PolarHBondContact O-N 3.44Å; Y91-K93 PolarHBondContact O-N 2.58Å; Y91-W96 AromaticContact CD1-CD2 3.74Å; Y91-W96 HydrophobicContact CD1-CD2 3.74Å; Y91-W96 AromaticContact CD1-CE2 3.75Å; Y91-W96 AromaticContact CD1-CE3 3.92Å; Y91-W96 HydrophobicContact CD1-CE3 3.92Å; Y91-W96 HydrophobicContact CD1-CG 4.24Å; Y91-W96 HydrophobicContact CD1-CH2 4.15Å; Y91-W96 AromaticContact CD1-CZ2 3.97Å; Y91-W96 HydrophobicContact CD1-CZ2 3.97Å; Y91-W96 HydrophobicContact CD1-CZ3 4.12Å; Y91-W96 HydrophobicContact CE1-CH2 4.19Å; Y91-W96 HydrophobicContact CE1-CZ2 4.32Å; Y91-W96 HydrophobicContact CE1-CZ3 4.3Å; Y91-W96 HydrophobicContact CG-CD2 4.49Å
92P95.3Very high95.1Very high66 Ų6656.4 Ų56.443%0.42930%0.3SS..  trans-55.5134.5-178-25.734.6000112.2E94 S95 W96P92-E94 PolarHBondContact O-N 3.13Å; P92-E94 VanDerWaalsContact O-N 3.09Å; P92-S95 PolarHBondContact O-N 3.17Å; P92-W96 PolarHBondContact O-N 2.95Å
93K94.5Very high95.7Very high12 Ų1251 Ų515%0.05227%0.271CS..THydrogen-bonded Turntrans-56.2-28.9-177.5-176.1-164.7177.5-173.20112.7R53 W77 I78 Y91 S95 D238R53-K93 PolarHBondContact NE-O 3.13Å; R53-K93 PolarHBondContact NH2-O 3.38Å; W77-K93 HydrophobicContact CH2-CB 4.45Å; W77-K93 HydrophobicContact CH2-CG 4.36Å; W77-K93 HydrophobicContact CZ2-CB 3.95Å; W77-K93 HydrophobicContact CZ2-CG 4.35Å; I78-K93 VanDerWaalsContact O-CD 3.3Å; I78-K93 WeakPolarHBondContact O-CD 3.49Å; I78-K93 WeakPolarHBondContact O-CE 3.37Å; I78-K93 PolarHBondContact O-NZ 2.96Å; Y91-K93 PolarHBondContact O-N 2.58Å; K93-S95 VanDerWaalsContact C-N 3.27Å; K93-S95 PolarHBondContact O-N 2.64Å; K93-D238 VanDerWaalsContact NZ-CG 3.32Å; K93-D238 IonicContact NZ-OD1 3.73Å; K93-D238 PolarHBondContact NZ-OD1 2.97Å; K93-D238 IonicContact NZ-OD2 3.89Å
94E93.2Very high96Very high102 Ų10253.2 Ų53.248%0.47728%0.275SS..THydrogen-bonded Turntrans-67.2-25.7179-69.765.7-145.900113.2R53 R80 P92R53-E94 VanDerWaalsContact CD-O 3.26Å; R53-E94 WeakPolarHBondContact CD-O 3.17Å; R80-E94 IonicContact CZ-OE1 2.76Å; R80-E94 IonicContact NE-OE1 2.67Å; R80-E94 PolarHBondContact NE-OE1 3.25Å; R80-E94 IonicContact NH2-OE1 3.88Å; R80-E94 PolarHBondContact NH2-OE1 3.25Å; P92-E94 PolarHBondContact O-N 3.13Å; P92-E94 VanDerWaalsContact O-N 3.09Å
95S95.9Very high96.3Very high67 Ų6745.7 Ų45.747%0.46924%0.238SC..THydrogen-bonded Turntrans-115.5-18.2-176.6-53.40000113.1K52 R53 P92 K93K52-S95 WeakPolarHBondContact CA-O 3.46Å; R53-S95 PolarHBondContact N-O 2.72Å; P92-S95 PolarHBondContact O-N 3.17Å; K93-S95 VanDerWaalsContact C-N 3.27Å; K93-S95 PolarHBondContact O-N 2.64Å
96W97.4Very high96.2Very high54 Ų5444.9 Ų44.921%0.20523%0.226CC..EExtended strand (participates in β ladder)trans-122.9147-174.7-64.285.6000111.8L50 A51 K52 R53 Y91 P92L50-W96 HydrophobicContact CB-CE3 4.06Å; L50-W96 HydrophobicContact CB-CZ3 4.32Å; A51-W96 CarbonylContact O-C 3.51Å; A51-W96 WeakPolarHBondContact O-CA 3.41Å; K52-W96 HydrophobicContact CG-CE3 4.39Å; K52-W96 HydrophobicContact CG-CH2 4.15Å; K52-W96 HydrophobicContact CG-CZ2 4.34Å; K52-W96 HydrophobicContact CG-CZ3 4.18Å; R53-W96 PolarHBondContact NE-O 3.37Å; Y91-W96 AromaticContact CD1-CD2 3.74Å; Y91-W96 HydrophobicContact CD1-CD2 3.74Å; Y91-W96 AromaticContact CD1-CE2 3.75Å; Y91-W96 AromaticContact CD1-CE3 3.92Å; Y91-W96 HydrophobicContact CD1-CE3 3.92Å; Y91-W96 HydrophobicContact CD1-CG 4.24Å; Y91-W96 HydrophobicContact CD1-CH2 4.15Å; Y91-W96 AromaticContact CD1-CZ2 3.97Å; Y91-W96 HydrophobicContact CD1-CZ2 3.97Å; Y91-W96 HydrophobicContact CD1-CZ3 4.12Å; Y91-W96 HydrophobicContact CE1-CH2 4.19Å; Y91-W96 HydrophobicContact CE1-CZ2 4.32Å; Y91-W96 HydrophobicContact CE1-CZ3 4.3Å; Y91-W96 HydrophobicContact CG-CD2 4.49Å; P92-W96 PolarHBondContact O-N 2.95Å
97C97.7Very high95.8Very high3 Ų351.6 Ų51.62%0.0226%0.257CS..EExtended strand (participates in β ladder)trans-112.1145.7163.960.30000109.4L50 A51 R53 S139 A142L50-C97 WeakPolarHBondContact CA-O 3.31Å; A51-C97 PolarHBondContact N-O 2.9Å; A51-C97 PolarHBondContact O-N 3.43Å; A51-C97 PolarHBondContact O-SG 2.79Å; R53-C97 HydrophobicContact CG-CB 4.49Å; C97-S139 VanDerWaalsContact CA-OG 3.29Å; C97-S139 WeakPolarHBondContact CA-OG 3.36Å; C97-S139 WeakPolarHBondContact CB-OG 3.49Å; C97-A142 HydrophobicContact CB-CB 4.2Å
98A98.4Very high95.4Very high0 Ų051.1 Ų51.10%025%0.254CS..EExtended strand (participates in β ladder)trans-116137.9174.900000110F48 R49 L50 F74 W77 F88 G138 S139F48-A98 HydrophobicContact CB-CB 4.26Å; F48-A98 HydrophobicContact CD1-CB 4.11Å; R49-A98 CarbonylContact O-C 3.46Å; R49-A98 WeakPolarHBondContact O-CA 3.49Å; L50-A98 HydrophobicContact CD2-CB 3.56Å; F74-A98 HydrophobicContact CD2-CB 4.45Å; F74-A98 HydrophobicContact CE2-CB 3.98Å; W77-A98 HydrophobicContact CE3-CB 4.47Å; W77-A98 HydrophobicContact CH2-CB 3.81Å; W77-A98 HydrophobicContact CZ3-CB 3.67Å; F88-A98 HydrophobicContact CD1-CB 4.32Å; F88-A98 HydrophobicContact CE1-CB 3.68Å; A98-G138 WeakPolarHBondContact O-CA 3.45Å; A98-S139 PolarHBondContact N-OG 2.81Å; A98-S139 PolarHBondContact O-N 3.03Å; A98-S139 PolarHBondContact O-OG 3.01Å
99Y98.4Very high95.2Very high7 Ų756.3 Ų56.33%0.02729%0.288CS..EExtended strand (participates in β ladder)trans-136.5117.8-179.5-154.1177.6000110.6F48 R49 D101 W136 L137 A142 T144 K163F48-Y99 CarbonylContact C-O 3.55Å; F48-Y99 WeakPolarHBondContact CA-O 3.27Å; R49-Y99 PolarHBondContact N-O 2.81Å; R49-Y99 PolarHBondContact O-N 2.91Å; Y99-D101 HydrophobicContact CD1-CB 4.26Å; Y99-D101 HydrophobicContact CD2-CB 4.28Å; Y99-D101 HydrophobicContact CE1-CB 4.36Å; Y99-D101 HydrophobicContact CE2-CB 4.44Å; Y99-D101 HydrophobicContact CG-CB 4.21Å; Y99-W136 HydrophobicContact CE1-CE3 4.28Å; Y99-W136 HydrophobicContact CE1-CZ3 4.5Å; Y99-W136 HydrophobicContact CE2-CB 4.17Å; Y99-W136 HydrophobicContact CE2-CE3 4Å; Y99-W136 AromaticContact CZ-CE3 3.61Å; Y99-W136 VanDerWaalsContact OH-CE3 3.26Å; Y99-L137 WeakPolarHBondContact CD2-O 3.26Å; Y99-A142 HydrophobicContact CD1-CB 4.1Å; Y99-A142 HydrophobicContact CD2-CB 4.42Å; Y99-A142 HydrophobicContact CG-CB 3.93Å; Y99-T144 HydrophobicContact CE1-CG2 3.85Å; Y99-K163 PolarHBondContact OH-NZ 3.44Å
100A98Very high95.1Very high0 Ų055.5 Ų55.50%028%0.279CS..EExtended strand (participates in β ladder)trans-90.895.2162.200000107.5L46 F48 I103 L137L46-A100 HydrophobicContact CB-CB 4.24Å; L46-A100 HydrophobicContact CD1-CB 4.15Å; F48-A100 HydrophobicContact CD1-CB 3.79Å; F48-A100 HydrophobicContact CE1-CB 3.69Å; F48-A100 HydrophobicContact CG-CB 4.3Å; F48-A100 HydrophobicContact CZ-CB 4.12Å; A100-I103 HydrophobicContact CB-CD1 3.99Å; A100-L137 HydrophobicContact CB-CB 4.44Å; A100-L137 PolarHBondContact N-O 2.95Å; A100-L137 PolarHBondContact O-N 3.14Å
101D94.5Very high95.1Very high39 Ų3947.5 Ų47.521%0.20924%0.244CC..EExtended strand (participates in β ladder)trans-99.3147.5-172.936.48.6000113.2R49 Y99 I103 W136R49-D101 IonicContact CZ-OD2 3.35Å; R49-D101 VanDerWaalsContact CZ-OD2 3.3Å; R49-D101 IonicContact NE-OD2 3.05Å; R49-D101 PolarHBondContact NE-OD2 3.31Å; R49-D101 IonicContact NH2-OD2 3.43Å; R49-D101 PolarHBondContact NH2-OD2 2.9Å; Y99-D101 HydrophobicContact CD1-CB 4.26Å; Y99-D101 HydrophobicContact CD2-CB 4.28Å; Y99-D101 HydrophobicContact CE1-CB 4.36Å; Y99-D101 HydrophobicContact CE2-CB 4.44Å; Y99-D101 HydrophobicContact CG-CB 4.21Å; D101-I103 PolarHBondContact O-N 3.18Å; D101-W136 HydrophobicContact CB-CE3 3.51Å; D101-W136 HydrophobicContact CB-CH2 4.48Å; D101-W136 HydrophobicContact CB-CZ3 3.4Å
102Y94.8Very high95Very high76 Ų7651.7 Ų51.730%0.29827%0.266SS..EExtended strand (participates in β ladder)trans49.245.6168.9-153.1-132.8000117.3Y104 T134 W136 W246Y102-Y104 HydrophobicContact CD1-CE2 4.46Å; Y102-Y104 HydrophobicContact CE1-CE2 4.06Å; Y102-Y104 PolarHBondContact O-N 2.87Å; Y102-Y104 PolarHBondContact OH-OH 3.01Å; Y102-T134 HydrophobicContact CD2-CG2 3.77Å; Y102-T134 HydrophobicContact CE2-CG2 3.68Å; Y102-W136 AromaticContact CD2-CE2 3.87Å; Y102-W136 AromaticContact CD2-CH2 3.86Å; Y102-W136 HydrophobicContact CD2-CH2 3.86Å; Y102-W136 AromaticContact CD2-CZ2 3.22Å; Y102-W136 HydrophobicContact CD2-CZ2 3.22Å; Y102-W136 HydrophobicContact CE2-CZ2 4.06Å; Y102-W136 HydrophobicContact CG-CH2 4.1Å; Y102-W136 AromaticContact CG-CZ2 3.89Å; Y102-W136 HydrophobicContact CG-CZ2 3.89Å; Y102-W136 VanDerWaalsContact N-CE3 3.34Å; Y102-W246 AromaticContact CE2-NE1 3.57Å; Y102-W246 AromaticContact CZ-NE1 3.72Å; Y102-W246 PolarHBondContact OH-NE1 3.42Å
103I96.4Very high94.8Very high35 Ų3549.5 Ų49.518%0.17926%0.255CS..EExtended strand (participates in β ladder)trans-86.2114.2180-63.2161.6000110.2L46 A100 D101 M105 F111 T134 F135L46-I103 HydrophobicContact CB-CD1 4.38Å; L46-I103 HydrophobicContact CD1-CD1 3.92Å; L46-I103 HydrophobicContact CD2-CD1 4Å; L46-I103 HydrophobicContact CG-CD1 4.33Å; A100-I103 HydrophobicContact CB-CD1 3.99Å; D101-I103 PolarHBondContact O-N 3.18Å; I103-M105 PolarHBondContact O-N 2.86Å; I103-F111 HydrophobicContact CG2-CE1 4.46Å; I103-F111 HydrophobicContact CG2-CE2 4.04Å; I103-F111 HydrophobicContact CG2-CZ 3.87Å; I103-T134 CarbonylContact O-C 3.59Å; I103-T134 VanDerWaalsContact O-CA 3.23Å; I103-T134 WeakPolarHBondContact O-CA 3.42Å; I103-F135 HydrophobicContact CB-CB 4.42Å; I103-F135 HydrophobicContact CD1-CD1 4.3Å; I103-F135 PolarHBondContact N-O 2.88Å; I103-F135 VanDerWaalsContact N-O 3.07Å; I103-F135 PolarHBondContact O-N 3.08Å
104Y96Very high94.9Very high77 Ų7749 Ų4930%0.30225%0.253SS..EExtended strand (participates in β ladder)trans-64.7114.6171.8-78-78.6000111.4Y102 N106 Q107 T134Y102-Y104 HydrophobicContact CD1-CE2 4.46Å; Y102-Y104 HydrophobicContact CE1-CE2 4.06Å; Y102-Y104 PolarHBondContact O-N 2.87Å; Y102-Y104 PolarHBondContact OH-OH 3.01Å; Y104-N106 PolarHBondContact O-N 3.47Å; Y104-Q107 PolarHBondContact O-N 3.25Å; Y104-Q107 VanDerWaalsContact O-N 3.15Å; Y104-T134 HydrophobicContact CD1-CG2 3.54Å; Y104-T134 HydrophobicContact CD2-CG2 4.35Å; Y104-T134 HydrophobicContact CE1-CG2 3.56Å; Y104-T134 HydrophobicContact CE2-CG2 4.36Å; Y104-T134 HydrophobicContact CG-CG2 3.95Å
105M96.6Very high95Very high1 Ų145.8 Ų45.81%0.00524%0.241CC..THydrogen-bonded Turntrans-68.6-18.1-173.8-65.6-178.473.400113.4W33 I103 F111 L114 V115 L118 P133 F135 V243W33-M105 HydrophobicContact CH2-CE 3.88Å; W33-M105 HydrophobicContact CZ2-CE 4.42Å; I103-M105 PolarHBondContact O-N 2.86Å; M105-F111 HydrophobicContact CB-CB 3.92Å; M105-F111 HydrophobicContact CB-CD1 4.27Å; M105-F111 HydrophobicContact CB-CG 4.33Å; M105-F111 HydrophobicContact CE-CB 4.38Å; M105-F111 HydrophobicContact CE-CD1 3.93Å; M105-F111 HydrophobicContact CG-CB 4.38Å; M105-F111 HydrophobicContact CG-CD1 3.82Å; M105-F111 HydrophobicContact CG-CG 4.36Å; M105-F111 WeakPolarHBondContact O-CB 3.42Å; M105-L114 HydrophobicContact CE-CB 3.5Å; M105-V115 HydrophobicContact CB-CG2 3.64Å; M105-V115 HydrophobicContact CE-CG2 3.8Å; M105-V115 HydrophobicContact SD-CG2 4.26Å; M105-L118 HydrophobicContact CE-CD1 4.13Å; M105-L118 HydrophobicContact SD-CD1 3.91Å; M105-P133 HydrophobicContact CB-CG 4.3Å; M105-P133 WeakPolarHBondContact CB-O 3.4Å; M105-P133 HydrophobicContact CG-CG 4.47Å; M105-P133 WeakPolarHBondContact CG-O 3.27Å; M105-P133 PolarHBondContact N-O 2.96Å; M105-P133 HydrophobicContact SD-CB 4.22Å; M105-P133 HydrophobicContact SD-CG 3.84Å; M105-F135 HydrophobicContact CG-CB 3.71Å; M105-F135 HydrophobicContact SD-CB 4.07Å; M105-V243 HydrophobicContact SD-CG1 4.13Å
106N92.1Very high94.9Very high87 Ų8748.8 Ų48.847%0.46525%0.247SC..THydrogen-bonded Turntrans-84-10177.467-9.8000113.5Y104 S132Y104-N106 PolarHBondContact O-N 3.47Å; N106-S132 WeakPolarHBondContact ND2-CB 3.35Å; N106-S132 PolarHBondContact ND2-OG 3.32Å
107Q89.7Confident94.9Very high147 Ų14746.4 Ų46.469%0.68724%0.239SC*.SBendtrans-86.4-10.3-177.4-66.9-179-3.800113.2Y104Y104-Q107 PolarHBondContact O-N 3.25Å; Y104-Q107 VanDerWaalsContact O-N 3.15Å
108S89.7Confident94.8Very high30 Ų3046.7 Ų46.721%0.2124%0.24CC..  trans-134.4129.8-177.8171.60000111.6D110 F111S108-D110 PolarHBondContact O-N 2.68Å; S108-D110 PolarHBondContact OG-N 2.74Å; S108-F111 PolarHBondContact O-N 3.17Å; S108-F111 VanDerWaalsContact O-N 3.12Å
109P92.9Very high94.6Very high109 Ų10947.6 Ų47.671%0.70825%0.246SC*.G310 helixtrans-56.5-30177.1-25.834.6000114.1F111 Q112P109-F111 PolarHBondContact O-N 3.18Å; P109-F111 VanDerWaalsContact O-N 3.15Å; P109-Q112 WeakPolarHBondContact O-CB 3.5Å; P109-Q112 PolarHBondContact O-N 3.41Å; P109-Q112 VanDerWaalsContact O-N 3.13Å
110D94.2Very high94.2Very high41 Ų4147.2 Ų47.222%0.21925%0.245CC..G310 helixtrans-57.5-28.9178.7-804.8000113.1K43 S44 S108K43-D110 PolarHBondContact N-OD2 2.75Å; S44-D110 VanDerWaalsContact CB-OD2 3.26Å; S44-D110 WeakPolarHBondContact CB-OD2 3.38Å; S44-D110 PolarHBondContact N-OD2 2.74Å; S44-D110 PolarHBondContact OG-OD2 2.92Å; S108-D110 PolarHBondContact O-N 2.68Å; S108-D110 PolarHBondContact OG-N 2.74Å
111F95.9Very high93.8Very high2 Ų250.3 Ų50.31%0.00926%0.259CS..G310 helixtrans-92-9.5-176.6-73-94.2000113.2I42 L46 I103 M105 S108 P109 G113 L114 V115 F135I42-F111 HydrophobicContact CD1-CD1 4.21Å; I42-F111 HydrophobicContact CD1-CE1 3.53Å; I42-F111 HydrophobicContact CD1-CE2 4.38Å; I42-F111 HydrophobicContact CD1-CZ 3.66Å; I42-F111 HydrophobicContact CG1-CD1 4.48Å; I42-F111 HydrophobicContact CG1-CE1 4.13Å; I42-F111 HydrophobicContact CG1-CE2 4.28Å; I42-F111 HydrophobicContact CG1-CZ 4.04Å; I42-F111 HydrophobicContact CG2-CE2 4.34Å; I42-F111 HydrophobicContact CG2-CZ 4.39Å; L46-F111 HydrophobicContact CD2-CE2 4.16Å; L46-F111 HydrophobicContact CD2-CZ 4.04Å; I103-F111 HydrophobicContact CG2-CE1 4.46Å; I103-F111 HydrophobicContact CG2-CE2 4.04Å; I103-F111 HydrophobicContact CG2-CZ 3.87Å; M105-F111 HydrophobicContact CB-CB 3.92Å; M105-F111 HydrophobicContact CB-CD1 4.27Å; M105-F111 HydrophobicContact CB-CG 4.33Å; M105-F111 HydrophobicContact CE-CB 4.38Å; M105-F111 HydrophobicContact CE-CD1 3.93Å; M105-F111 HydrophobicContact CG-CB 4.38Å; M105-F111 HydrophobicContact CG-CD1 3.82Å; M105-F111 HydrophobicContact CG-CG 4.36Å; M105-F111 WeakPolarHBondContact O-CB 3.42Å; S108-F111 PolarHBondContact O-N 3.17Å; S108-F111 VanDerWaalsContact O-N 3.12Å; P109-F111 PolarHBondContact O-N 3.18Å; P109-F111 VanDerWaalsContact O-N 3.15Å; F111-G113 PolarHBondContact O-N 3.07Å; F111-L114 HydrophobicContact CD1-CD1 3.85Å; F111-L114 HydrophobicContact CE1-CD1 4.3Å; F111-L114 CarbonylContact O-C 3.57Å; F111-L114 WeakPolarHBondContact O-CA 3.37Å; F111-L114 WeakPolarHBondContact O-CB 3.46Å; F111-L114 PolarHBondContact O-N 3.31Å; F111-V115 PolarHBondContact O-N 3.49Å; F111-F135 HydrophobicContact CD1-CB 4.37Å; F111-F135 HydrophobicContact CD1-CG 4.42Å; F111-F135 HydrophobicContact CE1-CB 3.86Å; F111-F135 AromaticContact CE1-CD1 3.71Å; F111-F135 HydrophobicContact CE1-CD1 3.71Å; F111-F135 HydrophobicContact CE1-CD2 4.1Å; F111-F135 HydrophobicContact CE1-CE1 4.22Å; F111-F135 AromaticContact CE1-CG 3.63Å; F111-F135 HydrophobicContact CE1-CG 3.63Å; F111-F135 HydrophobicContact CZ-CD1 4.18Å
112Q92.6Very high93.5Very high130 Ų13053.7 Ų53.761%0.60727%0.274SS*.Hα-helixtrans-56.6-49.4-176.5-176.1178.9-6.600111.8P109 L114 V115 E116P109-Q112 WeakPolarHBondContact O-CB 3.5Å; P109-Q112 PolarHBondContact O-N 3.41Å; P109-Q112 VanDerWaalsContact O-N 3.13Å; Q112-L114 PolarHBondContact O-N 3.41Å; Q112-V115 PolarHBondContact O-N 3.39Å; Q112-E116 PolarHBondContact O-N 3.1Å
113G92.8Very high93.2Very high21 Ų2150.9 Ų50.922%0.21626%0.263CS..Hα-helixtrans-69.2-1817700000114.1F111F111-G113 PolarHBondContact O-N 3.07Å
114L96.5Very high92.8Very high0 Ų049.4 Ų49.40%026%0.256CS..Hα-helixtrans-79.5-38.6172.5-64.1-178.4000110.8W33 Y37 L38 K41 I42 M105 F111 Q112 E116 D117W33-L114 HydrophobicContact CH2-CB 4.13Å; W33-L114 HydrophobicContact CZ2-CB 3.6Å; W33-L114 HydrophobicContact CZ2-CD2 3.9Å; W33-L114 HydrophobicContact CZ2-CG 4.23Å; W33-L114 WeakPolarHBondContact CZ2-O 3.11Å; Y37-L114 HydrophobicContact CD1-CD2 4.3Å; Y37-L114 HydrophobicContact CE1-CD2 3.7Å; L38-L114 HydrophobicContact CD2-CD1 3.93Å; L38-L114 HydrophobicContact CD2-CD2 3.96Å; K41-L114 HydrophobicContact CB-CD1 4.48Å; K41-L114 HydrophobicContact CB-CD2 4.01Å; K41-L114 HydrophobicContact CB-CG 4.22Å; K41-L114 HydrophobicContact CG-CD2 3.92Å; I42-L114 HydrophobicContact CD1-CD1 3.56Å; I42-L114 HydrophobicContact CG1-CD1 3.72Å; M105-L114 HydrophobicContact CE-CB 3.5Å; F111-L114 HydrophobicContact CD1-CD1 3.85Å; F111-L114 HydrophobicContact CE1-CD1 4.3Å; F111-L114 CarbonylContact O-C 3.57Å; F111-L114 WeakPolarHBondContact O-CA 3.37Å; F111-L114 WeakPolarHBondContact O-CB 3.46Å; F111-L114 PolarHBondContact O-N 3.31Å; Q112-L114 PolarHBondContact O-N 3.41Å; L114-E116 PolarHBondContact O-N 3.07Å; L114-D117 WeakPolarHBondContact O-CB 3.46Å; L114-D117 PolarHBondContact O-N 3.03Å
115V95.5Very high92.4Very high36 Ų3649.5 Ų49.522%0.21827%0.266CS..Hα-helixtrans-58.6-37.1174176.80000110.9M105 F111 Q112 D117 L118 P133M105-V115 HydrophobicContact CB-CG2 3.64Å; M105-V115 HydrophobicContact CE-CG2 3.8Å; M105-V115 HydrophobicContact SD-CG2 4.26Å; F111-V115 PolarHBondContact O-N 3.49Å; Q112-V115 PolarHBondContact O-N 3.39Å; V115-D117 PolarHBondContact O-N 3.4Å; V115-L118 WeakPolarHBondContact O-CB 3.35Å; V115-L118 PolarHBondContact O-N 3.45Å; V115-P133 HydrophobicContact CG2-CG 4.28Å
116E93.3Very high92Very high129 Ų12951.1 Ų51.160%0.60327%0.273SS*.THydrogen-bonded Turntrans-65.7-18175.2-65.9172.6-170.200114.5Q112 L114 L118Q112-E116 PolarHBondContact O-N 3.1Å; L114-E116 PolarHBondContact O-N 3.07Å; E116-L118 VanDerWaalsContact C-N 3.3Å
117D96.3Very high91.8Very high5 Ų547.7 Ų47.73%0.02725%0.254CS..THydrogen-bonded Turntrans-83.5-7.1173.8-75.6-34.8000112.4K28 A29 K32 W33 Y37 L114 V115K28-D117 HydrophobicContact CB-CB 3.86Å; K28-D117 VanDerWaalsContact CB-OD1 3.3Å; K28-D117 WeakPolarHBondContact CB-OD1 3.36Å; K28-D117 WeakPolarHBondContact CD-OD1 3.23Å; K28-D117 PolarHBondContact N-O 3.02Å; A29-D117 HydrophobicContact CB-CB 4.12Å; A29-D117 PolarHBondContact N-O 3.22Å; K32-D117 IonicContact NZ-OD1 2.77Å; K32-D117 PolarHBondContact NZ-OD1 2.9Å; W33-D117 HydrophobicContact CZ2-CB 4.29Å; W33-D117 PolarHBondContact NE1-OD2 3.12Å; W33-D117 VanDerWaalsContact NE1-OD2 3.1Å; Y37-D117 WeakPolarHBondContact CE1-OD2 3.3Å; Y37-D117 PolarHBondContact OH-OD2 3.19Å; L114-D117 WeakPolarHBondContact O-CB 3.46Å; L114-D117 PolarHBondContact O-N 3.03Å; V115-D117 PolarHBondContact O-N 3.4Å
118L96Very high91.6Very high8 Ų848.4 Ų48.44%0.04226%0.255CS..  trans-99.9111.1-179.9-47.5175.8000110.9W27 A29 W33 M105 V115 E116 F120 P133 I159 V243W27-L118 HydrophobicContact CE3-CB 4.2Å; W27-L118 HydrophobicContact CE3-CD2 4.03Å; W27-L118 HydrophobicContact CZ3-CB 3.98Å; W27-L118 HydrophobicContact CZ3-CD2 4.06Å; A29-L118 HydrophobicContact CB-CD2 3.53Å; W33-L118 HydrophobicContact CH2-CD2 3.71Å; W33-L118 HydrophobicContact CH2-CG 4.42Å; W33-L118 HydrophobicContact CZ2-CD2 3.87Å; W33-L118 HydrophobicContact CZ2-CG 4.48Å; W33-L118 HydrophobicContact CZ3-CD2 4.49Å; M105-L118 HydrophobicContact CE-CD1 4.13Å; M105-L118 HydrophobicContact SD-CD1 3.91Å; V115-L118 WeakPolarHBondContact O-CB 3.35Å; V115-L118 PolarHBondContact O-N 3.45Å; E116-L118 VanDerWaalsContact C-N 3.3Å; L118-F120 VanDerWaalsContact C-N 3.33Å; L118-F120 HydrophobicContact CB-CD2 3.9Å; L118-F120 HydrophobicContact CB-CE2 4.06Å; L118-F120 HydrophobicContact CD1-CE2 4.04Å; L118-F120 PolarHBondContact O-N 2.88Å; L118-P133 HydrophobicContact CD1-CB 4.28Å; L118-P133 HydrophobicContact CD1-CG 3.93Å; L118-I159 HydrophobicContact CD2-CD1 4.48Å; L118-V243 HydrophobicContact CD1-CG1 4.21Å; L118-V243 HydrophobicContact CD1-CG2 4.34Å; L118-V243 HydrophobicContact CD2-CG1 4.31Å; L118-V243 HydrophobicContact CD2-CG2 4.16Å
119S93.6Very high91.2Very high19 Ų1952.3 Ų52.313%0.13328%0.283CS..  trans-91.354.6-178.6-67.40000112.9W27 Q121 E122W27-S119 PolarHBondContact NE1-O 3.09Å; S119-Q121 VanDerWaalsContact C-N 3.3Å; S119-Q121 PolarHBondContact O-N 3.19Å; S119-E122 VanDerWaalsContact CB-OE1 3.25Å; S119-E122 WeakPolarHBondContact CB-OE1 3.35Å; S119-E122 WeakPolarHBondContact O-CB 3.29Å; S119-E122 PolarHBondContact O-N 2.72Å; S119-E122 PolarHBondContact OG-OE1 3.44Å
120F91.7Very high90.8Very high0 Ų053.6 Ų53.60%028%0.284CS..Hα-helixtrans-58.3-40.1-179.6-86.4-80000113W27 L118 E122 L123 F124 L127 I131 P133 V243 L245W27-F120 AromaticContact CH2-CD1 3.7Å; W27-F120 HydrophobicContact CH2-CD1 3.7Å; W27-F120 AromaticContact CH2-CD2 3.66Å; W27-F120 HydrophobicContact CH2-CD2 3.66Å; W27-F120 AromaticContact CH2-CE1 3.71Å; W27-F120 HydrophobicContact CH2-CE1 3.71Å; W27-F120 AromaticContact CH2-CE2 3.68Å; W27-F120 HydrophobicContact CH2-CE2 3.68Å; W27-F120 AromaticContact CH2-CG 3.68Å; W27-F120 HydrophobicContact CH2-CG 3.68Å; W27-F120 AromaticContact CH2-CZ 3.7Å; W27-F120 HydrophobicContact CH2-CZ 3.7Å; W27-F120 HydrophobicContact CZ2-CD1 4.22Å; W27-F120 HydrophobicContact CZ2-CD2 4.45Å; W27-F120 HydrophobicContact CZ2-CG 4.15Å; W27-F120 HydrophobicContact CZ3-CD2 4.2Å; W27-F120 AromaticContact CZ3-CE2 3.95Å; W27-F120 HydrophobicContact CZ3-CE2 3.95Å; W27-F120 HydrophobicContact CZ3-CZ 4.15Å; L118-F120 VanDerWaalsContact C-N 3.33Å; L118-F120 HydrophobicContact CB-CD2 3.9Å; L118-F120 HydrophobicContact CB-CE2 4.06Å; L118-F120 HydrophobicContact CD1-CE2 4.04Å; L118-F120 PolarHBondContact O-N 2.88Å; F120-E122 VanDerWaalsContact C-N 3.27Å; F120-E122 PolarHBondContact O-N 2.91Å; F120-L123 PolarHBondContact O-N 2.87Å; F120-L123 VanDerWaalsContact O-N 3.13Å; F120-F124 HydrophobicContact CD1-CD2 4.32Å; F120-F124 HydrophobicContact CD1-CE2 4.5Å; F120-F124 PolarHBondContact O-N 2.99Å; F120-L127 HydrophobicContact CB-CD1 4.02Å; F120-L127 HydrophobicContact CD1-CD1 4.32Å; F120-I131 HydrophobicContact CB-CD1 3.9Å; F120-I131 HydrophobicContact CD2-CD1 3.32Å; F120-I131 HydrophobicContact CE2-CD1 4.06Å; F120-I131 HydrophobicContact CG-CD1 3.87Å; F120-P133 HydrophobicContact CE2-CB 4.18Å; F120-V243 HydrophobicContact CZ-CG2 4.37Å; F120-L245 HydrophobicContact CD1-CB 4.49Å; F120-L245 HydrophobicContact CD1-CD2 3.81Å; F120-L245 HydrophobicContact CE1-CB 3.73Å; F120-L245 HydrophobicContact CE1-CD2 3.89Å; F120-L245 HydrophobicContact CE1-CG 4.48Å; F120-L245 HydrophobicContact CG-CD2 4.24Å; F120-L245 HydrophobicContact CZ-CB 3.77Å; F120-L245 HydrophobicContact CZ-CD2 4.38Å
121Q89.3Confident90.7Very high65 Ų6552.6 Ų52.630%0.30428%0.278SS..Hα-helixtrans-71.8-18.3-178.4-69.176.5900113.3S119 L123 F124 P125 L127 K128S119-Q121 VanDerWaalsContact C-N 3.3Å; S119-Q121 PolarHBondContact O-N 3.19Å; Q121-L123 VanDerWaalsContact C-N 3.32Å; Q121-F124 CarbonylContact O-C 3.58Å; Q121-P125 VanDerWaalsContact O-CA 3.29Å; Q121-P125 WeakPolarHBondContact O-CA 3.24Å; Q121-L127 HydrophobicContact CG-CB 4.47Å; Q121-K128 PolarHBondContact NE2-O 2.74Å
122E88Confident90.5Very high110 Ų11054.6 Ų54.651%0.51429%0.293SS..Hα-helixtrans-68.2-36.8169.7-70.5175.1-154.800111S119 F120S119-E122 VanDerWaalsContact CB-OE1 3.25Å; S119-E122 WeakPolarHBondContact CB-OE1 3.35Å; S119-E122 WeakPolarHBondContact O-CB 3.29Å; S119-E122 PolarHBondContact O-N 2.72Å; S119-E122 PolarHBondContact OG-OE1 3.44Å; F120-E122 VanDerWaalsContact C-N 3.27Å; F120-E122 PolarHBondContact O-N 2.91Å
123L87.5Confident90.7Very high16 Ų1648.4 Ų48.48%0.08426%0.264CS..Hα-helixtrans-86.5-34.8179.8-62.4-171.3000112.4G23 A24 W27 F120 Q121 L220 I335 I336G23-L123 WeakPolarHBondContact O-CD2 3.36Å; A24-L123 HydrophobicContact CB-CD1 4.26Å; W27-L123 HydrophobicContact CZ2-CD1 3.65Å; W27-L123 HydrophobicContact CZ2-CG 4.26Å; F120-L123 PolarHBondContact O-N 2.87Å; F120-L123 VanDerWaalsContact O-N 3.13Å; Q121-L123 VanDerWaalsContact C-N 3.32Å; L123-L220 HydrophobicContact CD1-CD2 4.21Å; L123-I335 HydrophobicContact CD2-CG2 4.46Å; L123-I336 HydrophobicContact CB-CD1 3.88Å; L123-I336 HydrophobicContact CD2-CD1 4.27Å; L123-I336 HydrophobicContact CD2-CG1 4.27Å; L123-I336 HydrophobicContact CG-CD1 4.48Å
124F88.9Confident91Very high4 Ų447.5 Ų47.52%0.01825%0.254CS..  trans-132.478.1-176.3-52.5-74.2000110.4L7 F120 Q121 F126 L127 L155 L220 I336 W338L7-F124 HydrophobicContact CD1-CD1 3.86Å; L7-F124 HydrophobicContact CD1-CE1 3.5Å; L7-F124 VanDerWaalsContact CD1-CE1 3.5Å; L7-F124 HydrophobicContact CD1-CZ 4.36Å; F120-F124 HydrophobicContact CD1-CD2 4.32Å; F120-F124 HydrophobicContact CD1-CE2 4.5Å; F120-F124 PolarHBondContact O-N 2.99Å; Q121-F124 CarbonylContact O-C 3.58Å; F124-F126 HydrophobicContact CB-CE1 4.16Å; F124-F126 HydrophobicContact CB-CE2 4.31Å; F124-F126 HydrophobicContact CB-CZ 3.95Å; F124-F126 HydrophobicContact CD1-CE1 4.24Å; F124-F126 AromaticContact CD1-CZ 3.8Å; F124-F126 HydrophobicContact CD1-CZ 3.8Å; F124-F126 HydrophobicContact CG-CZ 4.33Å; F124-F126 PolarHBondContact O-N 3.43Å; F124-L127 HydrophobicContact CB-CD1 3.54Å; F124-L127 HydrophobicContact CB-CG 3.57Å; F124-L127 HydrophobicContact CD2-CD1 4Å; F124-L127 HydrophobicContact CG-CD1 4.11Å; F124-L127 HydrophobicContact CG-CG 4.49Å; F124-L127 WeakPolarHBondContact O-CB 3.21Å; F124-L127 PolarHBondContact O-N 3.49Å; F124-L155 HydrophobicContact CD2-CD1 4.15Å; F124-L155 HydrophobicContact CE1-CD1 4.21Å; F124-L155 HydrophobicContact CE1-CD2 4.5Å; F124-L155 HydrophobicContact CE2-CD1 3.64Å; F124-L155 HydrophobicContact CE2-CD2 4.46Å; F124-L155 HydrophobicContact CZ-CD1 3.64Å; F124-L155 HydrophobicContact CZ-CD2 3.83Å; F124-L155 HydrophobicContact CZ-CG 4.35Å; F124-L220 HydrophobicContact CE2-CD2 4.23Å; F124-L220 HydrophobicContact CZ-CD2 3.88Å; F124-I336 HydrophobicContact CE1-CD1 4.07Å; F124-I336 HydrophobicContact CZ-CD1 4.17Å; F124-W338 HydrophobicContact CE1-CZ2 4.23Å; F124-W338 HydrophobicContact CZ-CZ2 4.09Å
125P88.3Confident91Very high79 Ų7947.5 Ų47.551%0.51325%0.254SS..THydrogen-bonded Turntrans-61.2-16.6-173.9-25.635.3000115.2Q121Q121-P125 VanDerWaalsContact O-CA 3.29Å; Q121-P125 WeakPolarHBondContact O-CA 3.24Å
126F86.6Confident91.2Very high36 Ų3647.4 Ų47.416%0.15825%0.25CC..THydrogen-bonded Turntrans-85.2-7.8177.754.4-95.6000113.5T3 I6 L7 F124T3-F126 HydrophobicContact CG2-CD2 4.01Å; T3-F126 HydrophobicContact CG2-CE2 4.2Å; I6-F126 HydrophobicContact CB-CD1 4.45Å; I6-F126 HydrophobicContact CB-CD2 4.12Å; I6-F126 HydrophobicContact CB-CE2 4.34Å; I6-F126 HydrophobicContact CB-CG 4.18Å; I6-F126 HydrophobicContact CD1-CB 4.1Å; I6-F126 HydrophobicContact CD1-CG 4.45Å; I6-F126 HydrophobicContact CG2-CB 4.17Å; I6-F126 HydrophobicContact CG2-CD1 3.41Å; I6-F126 VanDerWaalsContact CG2-CD1 3.41Å; I6-F126 HydrophobicContact CG2-CD2 3.94Å; I6-F126 HydrophobicContact CG2-CE1 3.68Å; I6-F126 HydrophobicContact CG2-CE2 4.17Å; I6-F126 HydrophobicContact CG2-CG 3.56Å; I6-F126 HydrophobicContact CG2-CZ 4.04Å; L7-F126 HydrophobicContact CB-CE2 3.95Å; L7-F126 HydrophobicContact CB-CZ 3.92Å; L7-F126 HydrophobicContact CD1-CZ 4.2Å; F124-F126 HydrophobicContact CB-CE1 4.16Å; F124-F126 HydrophobicContact CB-CE2 4.31Å; F124-F126 HydrophobicContact CB-CZ 3.95Å; F124-F126 HydrophobicContact CD1-CE1 4.24Å; F124-F126 AromaticContact CD1-CZ 3.8Å; F124-F126 HydrophobicContact CD1-CZ 3.8Å; F124-F126 HydrophobicContact CG-CZ 4.33Å; F124-F126 PolarHBondContact O-N 3.43Å
127L88.4Confident91.4Very high14 Ų1441.3 Ų41.37%0.07322%0.221CC..SBendtrans-67.9139.3172.7-67.1179.6000110.5T3 F120 Q121 F124 I131 L245 I247T3-L127 HydrophobicContact CG2-CD2 3.56Å; F120-L127 HydrophobicContact CB-CD1 4.02Å; F120-L127 HydrophobicContact CD1-CD1 4.32Å; Q121-L127 HydrophobicContact CG-CB 4.47Å; F124-L127 HydrophobicContact CB-CD1 3.54Å; F124-L127 HydrophobicContact CB-CG 3.57Å; F124-L127 HydrophobicContact CD2-CD1 4Å; F124-L127 HydrophobicContact CG-CD1 4.11Å; F124-L127 HydrophobicContact CG-CG 4.49Å; F124-L127 WeakPolarHBondContact O-CB 3.21Å; F124-L127 PolarHBondContact O-N 3.49Å; L127-I131 HydrophobicContact CB-CG2 4.47Å; L127-L245 HydrophobicContact CD1-CD2 3.73Å; L127-I247 HydrophobicContact CD2-CD1 3.56Å
128K84.8Confident91.5Very high162 Ų16241 Ų4170%0.70422%0.22SC*.  trans-60154.5169.9-64.2176.5-177.2171.80109.9Q121 N130 I131Q121-K128 PolarHBondContact NE2-O 2.74Å; K128-N130 VanDerWaalsContact C-N 3.34Å; K128-N130 PolarHBondContact O-N 2.62Å; K128-I131 WeakPolarHBondContact O-CG2 3.38Å
129S81Confident91.6Very high113 Ų11340.7 Ų40.779%0.7922%0.218SC*.SBendtrans-67.4-33.2178.452.70000113.2I131S129-I131 VanDerWaalsContact C-N 3.3Å; S129-I131 PolarHBondContact O-N 3.03Å; S129-I131 VanDerWaalsContact O-N 3.08Å
130N86Confident91.8Very high136 Ų13640 Ų4073%0.72721%0.213SC*.  trans-86.666.7180-167.422.7000111.7K128K128-N130 VanDerWaalsContact C-N 3.34Å; K128-N130 PolarHBondContact O-N 2.62Å
131I91Very high92Very high19 Ų1942.9 Ų42.910%0.09723%0.225CC..  trans-74.5153.6172.155.5167.4000111F120 L127 K128 S129 P133 L245F120-I131 HydrophobicContact CB-CD1 3.9Å; F120-I131 HydrophobicContact CD2-CD1 3.32Å; F120-I131 HydrophobicContact CE2-CD1 4.06Å; F120-I131 HydrophobicContact CG-CD1 3.87Å; L127-I131 HydrophobicContact CB-CG2 4.47Å; K128-I131 WeakPolarHBondContact O-CG2 3.38Å; S129-I131 VanDerWaalsContact C-N 3.3Å; S129-I131 PolarHBondContact O-N 3.03Å; S129-I131 VanDerWaalsContact O-N 3.08Å; I131-P133 VanDerWaalsContact C-CD 3.44Å; I131-P133 HydrophobicContact CD1-CG 4.35Å; I131-P133 WeakPolarHBondContact O-CD 3.37Å; I131-L245 HydrophobicContact CB-CD1 4.08Å; I131-L245 HydrophobicContact CB-CD2 4.45Å; I131-L245 HydrophobicContact CG2-CD1 4.45Å; I131-L245 HydrophobicContact CG2-CD2 4.07Å
132S92.7Very high92.4Very high45 Ų4539.8 Ų39.832%0.31521%0.211SC..  trans-124.268.8177.9-59.90000110.2N106N106-S132 WeakPolarHBondContact ND2-CB 3.35Å; N106-S132 PolarHBondContact ND2-OG 3.32Å
133P96.8Very high92.9Very high0 Ų035 Ų350%019%0.189CC..  trans-68.4155.7179.230.2-34.4000110.9M105 V115 L118 F120 I131 N244M105-P133 HydrophobicContact CB-CG 4.3Å; M105-P133 WeakPolarHBondContact CB-O 3.4Å; M105-P133 HydrophobicContact CG-CG 4.47Å; M105-P133 WeakPolarHBondContact CG-O 3.27Å; M105-P133 PolarHBondContact N-O 2.96Å; M105-P133 HydrophobicContact SD-CB 4.22Å; M105-P133 HydrophobicContact SD-CG 3.84Å; V115-P133 HydrophobicContact CG2-CG 4.28Å; L118-P133 HydrophobicContact CD1-CB 4.28Å; L118-P133 HydrophobicContact CD1-CG 3.93Å; F120-P133 HydrophobicContact CE2-CB 4.18Å; I131-P133 VanDerWaalsContact C-CD 3.44Å; I131-P133 HydrophobicContact CD1-CG 4.35Å; I131-P133 WeakPolarHBondContact O-CD 3.37Å; P133-N244 CarbonylContact C-O 3.57Å; P133-N244 VanDerWaalsContact CA-O 3.28Å; P133-N244 WeakPolarHBondContact CA-O 3.41Å
134T97.8Very high93.4Very high1 Ų134.6 Ų34.61%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-106.9147.4170.962.30000110.7Y102 I103 Y104 W136 V243 N244Y102-T134 HydrophobicContact CD2-CG2 3.77Å; Y102-T134 HydrophobicContact CE2-CG2 3.68Å; I103-T134 CarbonylContact O-C 3.59Å; I103-T134 VanDerWaalsContact O-CA 3.23Å; I103-T134 WeakPolarHBondContact O-CA 3.42Å; Y104-T134 HydrophobicContact CD1-CG2 3.54Å; Y104-T134 HydrophobicContact CD2-CG2 4.35Å; Y104-T134 HydrophobicContact CE1-CG2 3.56Å; Y104-T134 HydrophobicContact CE2-CG2 4.36Å; Y104-T134 HydrophobicContact CG-CG2 3.95Å; T134-W136 PolarHBondContact OG1-NE1 3.33Å; T134-V243 CarbonylContact O-C 3.56Å; T134-V243 WeakPolarHBondContact O-CA 3.48Å; T134-V243 WeakPolarHBondContact O-CB 3.21Å; T134-N244 PolarHBondContact N-O 2.94Å; T134-N244 PolarHBondContact O-N 2.81Å; T134-N244 PolarHBondContact OG1-OD1 3.33Å
135F98.4Very high93.8Very high0 Ų034.8 Ų34.80%019%0.188CC..EExtended strand (participates in β ladder)trans-108.8139.7-177.2174-92.6000110.7W33 L38 I42 L46 I103 M105 F111 L137 C241 V243W33-F135 HydrophobicContact CE3-CE2 4.26Å; W33-F135 HydrophobicContact CH2-CD2 4.39Å; W33-F135 AromaticContact CZ3-CD2 3.87Å; W33-F135 HydrophobicContact CZ3-CD2 3.87Å; W33-F135 AromaticContact CZ3-CE2 3.82Å; W33-F135 HydrophobicContact CZ3-CE2 3.82Å; L38-F135 HydrophobicContact CD1-CZ 4.33Å; L38-F135 HydrophobicContact CD2-CE2 4.25Å; I42-F135 HydrophobicContact CD1-CE1 4.49Å; I42-F135 HydrophobicContact CD1-CZ 4.29Å; L46-F135 HydrophobicContact CD1-CE1 4.3Å; I103-F135 HydrophobicContact CB-CB 4.42Å; I103-F135 HydrophobicContact CD1-CD1 4.3Å; I103-F135 PolarHBondContact N-O 2.88Å; I103-F135 VanDerWaalsContact N-O 3.07Å; I103-F135 PolarHBondContact O-N 3.08Å; M105-F135 HydrophobicContact CG-CB 3.71Å; M105-F135 HydrophobicContact SD-CB 4.07Å; F111-F135 HydrophobicContact CD1-CB 4.37Å; F111-F135 HydrophobicContact CD1-CG 4.42Å; F111-F135 HydrophobicContact CE1-CB 3.86Å; F111-F135 AromaticContact CE1-CD1 3.71Å; F111-F135 HydrophobicContact CE1-CD1 3.71Å; F111-F135 HydrophobicContact CE1-CD2 4.1Å; F111-F135 HydrophobicContact CE1-CE1 4.22Å; F111-F135 AromaticContact CE1-CG 3.63Å; F111-F135 HydrophobicContact CE1-CG 3.63Å; F111-F135 HydrophobicContact CZ-CD1 4.18Å; F135-L137 HydrophobicContact CD1-CB 4.5Å; F135-L137 HydrophobicContact CE1-CB 3.53Å; F135-L137 HydrophobicContact CZ-CB 3.79Å; F135-L137 HydrophobicContact CZ-CD1 4.34Å; F135-L137 HydrophobicContact CZ-CG 4.48Å; F135-C241 WeakPolarHBondContact CE2-SG 3.31Å; F135-V243 HydrophobicContact CD2-CG1 4.48Å
136W98.6Very high94.3Very high35 Ų3531.1 Ų31.113%0.13316%0.164CC..EExtended strand (participates in β ladder)trans-135.8124.1-178.7-57.877.4000110.6Y99 D101 Y102 T134 T144 C241 S242 N244Y99-W136 HydrophobicContact CE1-CE3 4.28Å; Y99-W136 HydrophobicContact CE1-CZ3 4.5Å; Y99-W136 HydrophobicContact CE2-CB 4.17Å; Y99-W136 HydrophobicContact CE2-CE3 4Å; Y99-W136 AromaticContact CZ-CE3 3.61Å; Y99-W136 VanDerWaalsContact OH-CE3 3.26Å; D101-W136 HydrophobicContact CB-CE3 3.51Å; D101-W136 HydrophobicContact CB-CH2 4.48Å; D101-W136 HydrophobicContact CB-CZ3 3.4Å; Y102-W136 AromaticContact CD2-CE2 3.87Å; Y102-W136 AromaticContact CD2-CH2 3.86Å; Y102-W136 HydrophobicContact CD2-CH2 3.86Å; Y102-W136 AromaticContact CD2-CZ2 3.22Å; Y102-W136 HydrophobicContact CD2-CZ2 3.22Å; Y102-W136 HydrophobicContact CE2-CZ2 4.06Å; Y102-W136 HydrophobicContact CG-CH2 4.1Å; Y102-W136 AromaticContact CG-CZ2 3.89Å; Y102-W136 HydrophobicContact CG-CZ2 3.89Å; Y102-W136 VanDerWaalsContact N-CE3 3.34Å; T134-W136 PolarHBondContact OG1-NE1 3.33Å; W136-T144 HydrophobicContact CZ3-CG2 4.04Å; W136-C241 WeakPolarHBondContact O-CA 3.36Å; W136-S242 PolarHBondContact N-O 3.41Å; W136-S242 PolarHBondContact O-N 3.25Å; W136-N244 PolarHBondContact NE1-OD1 2.82Å
137L98.5Very high94.8Very high0 Ų030.4 Ų30.40%016%0.161CC..EExtended strand (participates in β ladder)trans-132.9113178-176.882.2000110.5L35 L38 F48 L71 F74 Y99 A100 F135 F239 T240 C241L35-L137 HydrophobicContact CD2-CD1 4.17Å; L35-L137 HydrophobicContact CD2-CD2 4.21Å; L38-L137 HydrophobicContact CD1-CD1 4.34Å; F48-L137 HydrophobicContact CE1-CD2 4.24Å; F48-L137 HydrophobicContact CZ-CD2 4.34Å; L71-L137 HydrophobicContact CD1-CD2 4.47Å; L71-L137 HydrophobicContact CD2-CD2 3.35Å; F74-L137 HydrophobicContact CD1-CD2 3.98Å; F74-L137 HydrophobicContact CE1-CD2 3.78Å; F74-L137 HydrophobicContact CE1-CG 4.08Å; F74-L137 HydrophobicContact CZ-CD2 4.49Å; Y99-L137 WeakPolarHBondContact CD2-O 3.26Å; A100-L137 HydrophobicContact CB-CB 4.44Å; A100-L137 PolarHBondContact N-O 2.95Å; A100-L137 PolarHBondContact O-N 3.14Å; F135-L137 HydrophobicContact CD1-CB 4.5Å; F135-L137 HydrophobicContact CE1-CB 3.53Å; F135-L137 HydrophobicContact CZ-CB 3.79Å; F135-L137 HydrophobicContact CZ-CD1 4.34Å; F135-L137 HydrophobicContact CZ-CG 4.48Å; L137-F239 HydrophobicContact CD1-CD2 3.71Å; L137-F239 HydrophobicContact CD1-CE2 4.23Å; L137-T240 WeakPolarHBondContact CA-O 3.45Å; L137-C241 HydrophobicContact CD1-CB 4.09Å
138G98.2Very high95.3Very high0 Ų031.2 Ų31.20%016%0.163CC..EExtended strand (participates in β ladder)trans-123147.4-178.900000111.9A98 F239 T240A98-G138 WeakPolarHBondContact O-CA 3.45Å; G138-F239 CarbonylContact O-C 3.57Å; G138-F239 WeakPolarHBondContact O-CA 3.26Å; G138-T240 PolarHBondContact N-O 3.2Å; G138-T240 PolarHBondContact O-N 3.1Å
139S98.2Very high95.9Very high0 Ų024.4 Ų24.40%014%0.135CC..EExtended strand (participates in β ladder)trans-69.4166.4161.963.70000110.6C97 A98 K141 A142 S233 D238C97-S139 VanDerWaalsContact CA-OG 3.29Å; C97-S139 WeakPolarHBondContact CA-OG 3.36Å; C97-S139 WeakPolarHBondContact CB-OG 3.49Å; A98-S139 PolarHBondContact N-OG 2.81Å; A98-S139 PolarHBondContact O-N 3.03Å; A98-S139 PolarHBondContact O-OG 3.01Å; S139-K141 PolarHBondContact O-N 3.05Å; S139-A142 WeakPolarHBondContact O-CB 3.47Å; S139-A142 PolarHBondContact O-N 3.12Å; S139-S233 WeakPolarHBondContact O-CB 3.26Å; S139-D238 CarbonylContact C-O 3.54Å; S139-D238 WeakPolarHBondContact CA-O 3.36Å
140S96.8Very high96.6Very high6 Ų619.3 Ų19.34%0.04210%0.099CC..THydrogen-bonded Turntrans-42.1135.4166.5-169.60000112.4A142 S234 S235 Y237 D238S140-A142 PolarHBondContact O-N 3.44Å; S140-A142 VanDerWaalsContact O-N 3.16Å; S140-S234 PolarHBondContact OG-O 2.83Å; S140-S235 WeakPolarHBondContact OG-CA 3.31Å; S140-Y237 VanDerWaalsContact CB-O 3.26Å; S140-Y237 WeakPolarHBondContact CB-O 3.39Å; S140-D238 PolarHBondContact N-O 3.35Å
141K96.8Very high97Very high59 Ų5914.1 Ų14.126%0.2577%0.069SC..THydrogen-bonded Turntrans65.81.7-178-62.2-59.2-160.5166.60117.2R53 S139 H143 E232 S233R53-K141 HydrophobicContact CG-CB 4.34Å; S139-K141 PolarHBondContact O-N 3.05Å; K141-H143 PolarHBondContact O-N 2.99Å; K141-H143 PolarHBondContact O-ND1 3.13Å; K141-H143 VanDerWaalsContact O-ND1 3.14Å; K141-E232 HydrophobicContact CD-CG 4.29Å; K141-E232 VanDerWaalsContact CD-OE1 3.31Å; K141-E232 WeakPolarHBondContact CD-OE1 3.44Å; K141-E232 IonicContact NZ-OE1 2.91Å; K141-E232 PolarHBondContact NZ-OE1 3.13Å; K141-E232 IonicContact NZ-OE2 3.99Å; K141-E232 PolarHBondContact NZ-OE2 2.99Å; K141-S233 WeakPolarHBondContact CA-O 3.47Å; K141-S233 PolarHBondContact N-O 3.43Å
142A97.9Very high97.2Very high1 Ų113.2 Ų13.21%0.0087%0.065CC..  trans-60.4133.9166.300000110.1C97 Y99 S139 S140 S233C97-A142 HydrophobicContact CB-CB 4.2Å; Y99-A142 HydrophobicContact CD1-CB 4.1Å; Y99-A142 HydrophobicContact CD2-CB 4.42Å; Y99-A142 HydrophobicContact CG-CB 3.93Å; S139-A142 WeakPolarHBondContact O-CB 3.47Å; S139-A142 PolarHBondContact O-N 3.12Å; S140-A142 PolarHBondContact O-N 3.44Å; S140-A142 VanDerWaalsContact O-N 3.16Å; A142-S233 WeakPolarHBondContact O-CB 3.17Å; A142-S233 PolarHBondContact O-N 2.84Å; A142-S233 PolarHBondContact O-OG 2.74Å
143H97.7Very high97.4Very high10 Ų1011.2 Ų11.25%0.0465%0.051CC..BIsolated β-bridgetrans-141160-174.858.6-84.1000112.3R49 K141 F230 V231 E232R49-H143 PolarHBondContact NH2-O 3.13Å; K141-H143 PolarHBondContact O-N 2.99Å; K141-H143 PolarHBondContact O-ND1 3.13Å; K141-H143 VanDerWaalsContact O-ND1 3.14Å; H143-F230 HydrophobicContact CB-CE2 4.03Å; H143-F230 HydrophobicContact CB-CZ 4.15Å; H143-V231 CarbonylContact C-O 3.59Å; H143-V231 WeakPolarHBondContact CA-O 3.38Å; H143-V231 WeakPolarHBondContact CB-O 3.47Å; H143-E232 HydrophobicContact CB-CB 4.25Å; H143-E232 HydrophobicContact CB-CG 4.25Å
144T97.4Very high97.4Very high6 Ų611.5 Ų11.54%0.0375%0.052CC..PPolyproline II helixtrans-94.5152.4165.358.70000109.6Y99 W136 F230 V231Y99-T144 HydrophobicContact CE1-CG2 3.85Å; W136-T144 HydrophobicContact CZ3-CG2 4.04Å; T144-F230 VanDerWaalsContact O-CD2 3.29Å; T144-F230 WeakPolarHBondContact O-CD2 3.24Å; T144-F230 WeakPolarHBondContact O-CE2 3.46Å; T144-V231 PolarHBondContact N-O 3.41Å; T144-V231 PolarHBondContact OG1-N 2.97Å
145I97.6Very high97.4Very high9 Ų911.5 Ų11.55%0.0465%0.052CC..PPolyproline II helixtrans-66.4144.7167.8-59.7170.5000107.3V58 W60 E61 H147 F189V58-I145 HydrophobicContact CG1-CD1 4.13Å; V58-I145 HydrophobicContact CG1-CG1 4.18Å; V58-I145 HydrophobicContact CG1-CG2 4.05Å; W60-I145 HydrophobicContact CD2-CD1 4.33Å; W60-I145 HydrophobicContact CE3-CD1 3.67Å; W60-I145 HydrophobicContact CZ3-CD1 4.25Å; W60-I145 HydrophobicContact CZ3-CG2 4.15Å; E61-I145 HydrophobicContact CG-CD1 3.96Å; I145-H147 PolarHBondContact O-N 3.41Å; I145-H147 PolarHBondContact O-ND1 3.41Å; I145-F189 HydrophobicContact CB-CD1 4.12Å; I145-F189 HydrophobicContact CB-CE1 4.46Å; I145-F189 HydrophobicContact CG2-CD1 3.89Å
146C98.6Very high97.4Very high2 Ų211.6 Ų11.61%0.0145%0.052CC..PPolyproline II helixtrans-65.4125.4176.6-172.70000109.8M176 S190 F194 H229 F230C146-M176 VanDerWaalsContact SG-CE 3.57Å; C146-S190 PolarHBondContact O-N 2.86Å; C146-F194 HydrophobicContact CB-CD2 3.2Å; C146-F194 HydrophobicContact CB-CE2 3.36Å; C146-F194 HydrophobicContact CB-CG 4.05Å; C146-F194 HydrophobicContact CB-CZ 4.33Å; C146-F194 VanDerWaalsContact SG-CE2 3.59Å; C146-H229 WeakPolarHBondContact CA-O 3.27Å; C146-F230 HydrophobicContact CB-CB 4.04Å
147H98.5Very high97.4Very high20 Ų209.9 Ų9.99%0.0935%0.046CC..EExtended strand (participates in β ladder)trans-146.9171.2-179.760.2-77.4000110.6I145 D149 T187 V188 F189 W228 H229I145-H147 PolarHBondContact O-N 3.41Å; I145-H147 PolarHBondContact O-ND1 3.41Å; H147-D149 IonicContact CD2-OD1 3.49Å; H147-D149 IonicContact CD2-OD2 2.72Å; H147-D149 IonicContact NE2-OD1 2.74Å; H147-D149 IonicContact NE2-OD2 3.43Å; H147-T187 HydrophobicContact CB-CG2 3.65Å; H147-V188 CarbonylContact C-O 3.5Å; H147-V188 WeakPolarHBondContact CA-O 3.47Å; H147-V188 VanDerWaalsContact CB-O 3.28Å; H147-V188 WeakPolarHBondContact CB-O 3.34Å; H147-F189 HydrophobicContact CB-CD1 3.76Å; H147-F189 HydrophobicContact CB-CE1 4.15Å; H147-F189 HydrophobicContact CB-CG 4.45Å; H147-W228 CarbonylContact O-C 3.13Å; H147-W228 VanDerWaalsContact O-CA 3.24Å; H147-W228 WeakPolarHBondContact O-CA 3.19Å; H147-H229 AromaticContact CD2-CE1 3.7Å; H147-H229 AromaticContact CD2-NE2 3.87Å; H147-H229 AromaticContact CE1-NE2 3.45Å; H147-H229 PolarHBondContact CE1-NE2 2.81Å; H147-H229 PolarHBondContact N-O 3.44Å; H147-H229 AromaticContact NE2-CE1 3.51Å; H147-H229 AromaticContact NE2-NE2 3.22Å; H147-H229 PolarHBondContact NE2-NE2 3.28Å; H147-H229 PolarHBondContact O-N 3.49Å; H147-H229 PolarHBondContact O-ND1 2.79Å
148R98.3Very high97.4Very high31 Ų319.9 Ų9.912%0.1175%0.046CC..EExtended strand (participates in β ladder)trans-122.2142.816160.8174.2175.8120.1-5.2109.3E178 V188 N226 W228R148-E178 IonicContact NH2-OE2 3.88Å; R148-E178 PolarHBondContact NH2-OE2 2.9Å; R148-V188 HydrophobicContact CG-CB 3.86Å; R148-V188 HydrophobicContact CG-CG2 4.37Å; R148-V188 PolarHBondContact N-O 3.35Å; R148-V188 PolarHBondContact O-N 3.25Å; R148-N226 PolarHBondContact NH1-OD1 3.5Å; R148-W228 HydrophobicContact CB-CD2 4.01Å; R148-W228 HydrophobicContact CB-CE3 4.23Å; R148-W228 HydrophobicContact CB-CG 4.2Å; R148-W228 HydrophobicContact CG-CD2 4.01Å; R148-W228 HydrophobicContact CG-CE3 4.15Å; R148-W228 HydrophobicContact CG-CH2 4.12Å; R148-W228 HydrophobicContact CG-CZ2 4.02Å; R148-W228 HydrophobicContact CG-CZ3 4.2Å
149D97.4Very high97.4Very high19 Ų1910 Ų1010%0.1025%0.046CC..EExtended strand (participates in β ladder)trans-90.1137.1171.4-53.8-70000110H147 S186 N226 H229 W246H147-D149 IonicContact CD2-OD1 3.49Å; H147-D149 IonicContact CD2-OD2 2.72Å; H147-D149 IonicContact NE2-OD1 2.74Å; H147-D149 IonicContact NE2-OD2 3.43Å; D149-S186 CarbonylContact C-O 3.43Å; D149-S186 WeakPolarHBondContact CA-O 3.47Å; D149-N226 PolarHBondContact O-N 2.72Å; D149-H229 IonicContact OD2-CE1 2.79Å; D149-H229 PolarHBondContact OD2-CE1 3.33Å; D149-H229 IonicContact OD2-NE2 2.91Å; D149-W246 HydrophobicContact CB-CH2 3.48Å; D149-W246 VanDerWaalsContact CB-CH2 3.48Å; D149-W246 HydrophobicContact CB-CZ2 4.06Å; D149-W246 HydrophobicContact CB-CZ3 4.16Å; D149-W246 WeakPolarHBondContact OD2-CH2 3.25Å; D149-W246 WeakPolarHBondContact OD2-CZ2 3.38Å
150T95.2Very high97.4Very high6 Ų613.6 Ų13.64%0.0376%0.062CC..  trans-88.9-18.2-176.366.90000112.5S186 V188 R225T150-S186 PolarHBondContact N-O 3.47Å; T150-S186 WeakPolarHBondContact OG1-CA 3.39Å; T150-S186 PolarHBondContact OG1-O 3.24Å; T150-V188 HydrophobicContact CG2-CG2 3.96Å; T150-R225 PolarHBondContact O-NH1 3.39Å
151Y95.2Very high97.4Very high28 Ų2813.4 Ų13.411%0.116%0.061CC..SBendtrans-104.9148.7-177.6-60.3-28.7000113.4E185 W246 D253 V256 R257 E260Y151-E185 HydrophobicContact CE2-CG 4.28Å; Y151-E185 WeakPolarHBondContact CE2-OE1 3.26Å; Y151-E185 PolarHBondContact OH-OE1 3.22Å; Y151-W246 WeakPolarHBondContact O-CZ3 3.43Å; Y151-D253 WeakPolarHBondContact CA-OD1 3.36Å; Y151-D253 HydrophobicContact CD1-CB 4.45Å; Y151-V256 HydrophobicContact CD1-CB 4.04Å; Y151-V256 HydrophobicContact CD1-CG1 3.72Å; Y151-V256 HydrophobicContact CE1-CB 3.83Å; Y151-V256 HydrophobicContact CE1-CG1 3.47Å; Y151-V256 VanDerWaalsContact CE1-CG1 3.47Å; Y151-R257 HydrophobicContact CE1-CG 3.79Å; Y151-R257 HydrophobicContact CE2-CG 4.43Å; Y151-R257 WeakPolarHBondContact OH-CA 3.26Å; Y151-R257 VanDerWaalsContact OH-CG 3.25Å; Y151-R257 WeakPolarHBondContact OH-CG 3.36Å; Y151-E260 HydrophobicContact CE1-CG 4.02Å; Y151-E260 WeakPolarHBondContact OH-CB 3.46Å; Y151-E260 WeakPolarHBondContact OH-CG 3.05Å
152G94.6Very high97.5Very high0 Ų010.6 Ų10.60%05%0.049CC..SBendtrans52-160.5169.700000116.2R225 I247 D253G152-R225 VanDerWaalsContact N-NH2 3.19Å; G152-R225 WeakPolarHBondContact O-CA 3.02Å; G152-R225 VanDerWaalsContact O-CB 3.29Å; G152-R225 WeakPolarHBondContact O-CB 3.24Å; G152-I247 CarbonylContact C-O 3.58Å; G152-I247 WeakPolarHBondContact CA-O 3.37Å; G152-D253 PolarHBondContact N-OD1 2.93Å; G152-D253 PolarHBondContact N-OD2 2.79Å
153V96.2Very high97.5Very high3 Ų310.6 Ų10.62%0.0185%0.048CC..EExtended strand (participates in β ladder)trans-127.1152.8168.3-62.20000109.4L7 L8 F222 I247L7-V153 HydrophobicContact CD2-CG2 3.93Å; L8-V153 HydrophobicContact CD2-CG1 4.23Å; V153-F222 HydrophobicContact CB-CE2 3.8Å; V153-F222 HydrophobicContact CB-CZ 4.33Å; V153-F222 HydrophobicContact CG1-CE2 4.22Å; V153-F222 HydrophobicContact CG1-CZ 4.27Å; V153-F222 HydrophobicContact CG2-CE2 3.84Å; V153-I247 HydrophobicContact CG2-CB 3.85Å; V153-I247 PolarHBondContact N-O 2.85Å; V153-I247 PolarHBondContact O-N 2.91Å
154N97.5Very high97.6Very high6 Ų613.5 Ų13.53%0.0326%0.059CC..EExtended strand (participates in β ladder)trans-108.2133.5-175.2-151.7-10.1000112.1V223 N244 L245 W246N154-V223 HydrophobicContact CB-CB 3.96Å; N154-V223 HydrophobicContact CB-CG2 4.44Å; N154-V223 PolarHBondContact N-O 2.95Å; N154-V223 PolarHBondContact O-N 3.49Å; N154-N244 PolarHBondContact ND2-ND2 2.79Å; N154-N244 VanDerWaalsContact OD1-CB 3.3Å; N154-N244 WeakPolarHBondContact OD1-CB 3.29Å; N154-N244 PolarHBondContact OD1-ND2 3.23Å; N154-L245 PolarHBondContact OD1-O 2.84Å; N154-W246 HydrophobicContact CB-CD2 4.35Å; N154-W246 HydrophobicContact CB-CE3 3.86Å; N154-W246 HydrophobicContact CB-CH2 3.61Å; N154-W246 HydrophobicContact CB-CZ2 4.17Å; N154-W246 HydrophobicContact CB-CZ3 3.48Å; N154-W246 VanDerWaalsContact CB-CZ3 3.48Å; N154-W246 WeakPolarHBondContact ND2-CH2 3.35Å; N154-W246 VanDerWaalsContact ND2-CZ2 3.26Å; N154-W246 WeakPolarHBondContact ND2-CZ2 3.44Å
155L97.1Very high97.6Very high0 Ų013.9 Ų13.90%06%0.06CC..EExtended strand (participates in β ladder)trans-111.2113168.1-68.8172.7000109.1L7 F124 L221 F222 N244 L245 I247 W338L7-L155 HydrophobicContact CD1-CD1 4.43Å; L7-L155 HydrophobicContact CD1-CD2 4.47Å; L7-L155 HydrophobicContact CD2-CD1 3.95Å; L7-L155 HydrophobicContact CD2-CD2 4.38Å; L7-L155 HydrophobicContact CD2-CG 4.25Å; F124-L155 HydrophobicContact CD2-CD1 4.15Å; F124-L155 HydrophobicContact CE1-CD1 4.21Å; F124-L155 HydrophobicContact CE1-CD2 4.5Å; F124-L155 HydrophobicContact CE2-CD1 3.64Å; F124-L155 HydrophobicContact CE2-CD2 4.46Å; F124-L155 HydrophobicContact CZ-CD1 3.64Å; F124-L155 HydrophobicContact CZ-CD2 3.83Å; F124-L155 HydrophobicContact CZ-CG 4.35Å; L155-L221 WeakPolarHBondContact CA-O 3.1Å; L155-F222 HydrophobicContact CD2-CB 4.26Å; L155-F222 HydrophobicContact CD2-CD2 3.92Å; L155-N244 CarbonylContact O-C 3.45Å; L155-N244 WeakPolarHBondContact O-CA 3.43Å; L155-N244 VanDerWaalsContact O-CB 3.31Å; L155-N244 WeakPolarHBondContact O-CB 3.31Å; L155-L245 PolarHBondContact N-O 3.42Å; L155-L245 PolarHBondContact O-N 3.37Å; L155-I247 HydrophobicContact CD1-CD1 4.46Å; L155-I247 HydrophobicContact CD1-CG1 4.05Å; L155-W338 HydrophobicContact CD2-CH2 4.37Å
156V98.5Very high97.7Very high2 Ų213.5 Ų13.51%0.0126%0.058CC..EExtended strand (participates in β ladder)trans-110132.1-176.5-1790000109.8W165 L215 L220 L221 N244V156-W165 HydrophobicContact CB-CZ2 4.29Å; V156-W165 HydrophobicContact CG1-CH2 4.3Å; V156-W165 HydrophobicContact CG1-CZ2 3.66Å; V156-W165 HydrophobicContact CG2-CH2 3.66Å; V156-W165 HydrophobicContact CG2-CZ2 3.91Å; V156-W165 HydrophobicContact CG2-CZ3 4.42Å; V156-L215 HydrophobicContact CG1-CD1 4.19Å; V156-L220 CarbonylContact O-C 3.58Å; V156-L220 VanDerWaalsContact O-CA 3.31Å; V156-L220 WeakPolarHBondContact O-CA 3.42Å; V156-L221 HydrophobicContact CB-CB 4.23Å; V156-L221 PolarHBondContact N-O 3.26Å; V156-L221 PolarHBondContact O-N 2.95Å; V156-N244 HydrophobicContact CB-CB 4.29Å; V156-N244 HydrophobicContact CG2-CB 3.83Å
157V98.4Very high97.7Very high0 Ų013.4 Ų13.40%06%0.057CC..EExtended strand (participates in β ladder)trans-118.8124173-174.70000109.6A24 W27 I159 D219 L220 S242 V243A24-V157 HydrophobicContact CB-CG1 3.56Å; W27-V157 HydrophobicContact CE3-CG1 4.2Å; W27-V157 HydrophobicContact CH2-CG2 3.71Å; W27-V157 HydrophobicContact CZ2-CG2 4.5Å; W27-V157 HydrophobicContact CZ3-CB 4.13Å; W27-V157 HydrophobicContact CZ3-CG1 4.06Å; W27-V157 HydrophobicContact CZ3-CG2 3.78Å; V157-I159 HydrophobicContact CB-CD1 4.32Å; V157-I159 HydrophobicContact CG1-CD1 3.66Å; V157-D219 WeakPolarHBondContact CA-O 3.36Å; V157-L220 HydrophobicContact CG2-CD1 3.44Å; V157-L220 VanDerWaalsContact CG2-CD1 3.44Å; V157-S242 VanDerWaalsContact O-CA 3.3Å; V157-S242 WeakPolarHBondContact O-CA 3.41Å; V157-S242 VanDerWaalsContact O-CB 3.32Å; V157-S242 WeakPolarHBondContact O-CB 3.28Å; V157-V243 HydrophobicContact CB-CG2 3.95Å; V157-V243 PolarHBondContact N-O 2.76Å; V157-V243 PolarHBondContact O-N 2.87Å
158Q98.7Very high97.7Very high0 Ų012.4 Ų12.40%05%0.053CC..EExtended strand (participates in β ladder)trans-82.7119.5172-174.866.128.800109.3K160 G161 L215 Y216 P217 G218 D219 C241Q158-K160 PolarHBondContact NE2-O 3.36Å; Q158-G161 WeakPolarHBondContact CG-O 3.04Å; Q158-G161 PolarHBondContact NE2-O 3.1Å; Q158-G161 VanDerWaalsContact NE2-O 3.11Å; Q158-L215 HydrophobicContact CB-CB 3.75Å; Q158-L215 HydrophobicContact CG-CB 4.17Å; Q158-Y216 WeakPolarHBondContact CB-O 3.35Å; Q158-P217 CarbonylContact O-C 3.49Å; Q158-P217 WeakPolarHBondContact O-CA 3.21Å; Q158-G218 PolarHBondContact O-N 2.83Å; Q158-D219 PolarHBondContact N-O 3.36Å; Q158-C241 PolarHBondContact NE2-O 3.17Å
159I98.6Very high97.7Very high1 Ų111.6 Ų11.61%0.0055%0.051CC..EExtended strand (participates in β ladder)trans-97.6-44.8-174.7-57.9-61.3000111.7W27 A29 W33 L118 V157 C241 V243W27-I159 HydrophobicContact CE3-CD1 4.28Å; A29-I159 HydrophobicContact CB-CD1 3.87Å; A29-I159 HydrophobicContact CB-CG2 4.03Å; A29-I159 WeakPolarHBondContact O-CG2 3.36Å; W33-I159 HydrophobicContact CB-CG2 3.83Å; W33-I159 HydrophobicContact CD2-CG2 3.98Å; W33-I159 HydrophobicContact CE3-CB 4.27Å; W33-I159 HydrophobicContact CE3-CG1 4.3Å; W33-I159 HydrophobicContact CE3-CG2 3.64Å; W33-I159 HydrophobicContact CG-CG2 4.12Å; W33-I159 HydrophobicContact CZ3-CG1 4.3Å; W33-I159 HydrophobicContact CZ3-CG2 4.44Å; L118-I159 HydrophobicContact CD2-CD1 4.48Å; V157-I159 HydrophobicContact CB-CD1 4.32Å; V157-I159 HydrophobicContact CG1-CD1 3.66Å; I159-C241 WeakPolarHBondContact CA-O 3.41Å; I159-C241 WeakPolarHBondContact CB-O 3.32Å; I159-C241 PolarHBondContact N-O 3.45Å; I159-V243 HydrophobicContact CD1-CG2 4.26Å; I159-V243 HydrophobicContact CG1-CG1 4.45Å; I159-V243 HydrophobicContact CG1-CG2 4.27Å
160K98.1Very high97.7Very high77 Ų7713.2 Ų13.234%0.3356%0.063SC..EExtended strand (participates in β ladder)trans-144.4142.8-176.3-17066.9168.9-160.70111.3Q158 F239 T240 C241Q158-K160 PolarHBondContact NE2-O 3.36Å; K160-F239 HydrophobicContact CB-CE2 4.19Å; K160-F239 HydrophobicContact CD-CZ 4.48Å; K160-F239 HydrophobicContact CG-CE1 4.44Å; K160-F239 HydrophobicContact CG-CE2 3.65Å; K160-F239 HydrophobicContact CG-CZ 3.54Å; K160-T240 CarbonylContact O-C 3.56Å; K160-T240 WeakPolarHBondContact O-CA 3.16Å; K160-C241 HydrophobicContact CB-CB 3.87Å; K160-C241 PolarHBondContact N-O 2.75Å; K160-C241 PolarHBondContact O-N 2.99Å
161G98Very high97.9Very high1 Ų117 Ų171%0.019%0.089CC..SBendtrans63.2-168.4-172.100000111.8Q158 P217 Y237Q158-G161 WeakPolarHBondContact CG-O 3.04Å; Q158-G161 PolarHBondContact NE2-O 3.1Å; Q158-G161 VanDerWaalsContact NE2-O 3.11Å; G161-P217 WeakPolarHBondContact O-CD 3.16Å; G161-Y237 VanDerWaalsContact CA-CG 3.49Å
162S98.5Very high98Very high0 Ų015.8 Ų15.80%09%0.085CC..  trans-123.9145.3179.757.60000112.4L215 S234 E236 Y237 T240S162-L215 WeakPolarHBondContact CA-O 3.38Å; S162-L215 VanDerWaalsContact CB-O 3.26Å; S162-L215 WeakPolarHBondContact CB-O 3.2Å; S162-S234 VanDerWaalsContact O-CB 3.25Å; S162-S234 WeakPolarHBondContact O-CB 2.96Å; S162-S234 PolarHBondContact O-N 2.88Å; S162-S234 WeakPolarHBondContact OG-CB 3.25Å; S162-S234 PolarHBondContact OG-OG 2.63Å; S162-E236 PolarHBondContact OG-OE2 3.23Å; S162-Y237 WeakPolarHBondContact OG-CD2 3.48Å; S162-Y237 VanDerWaalsContact OG-CE2 3.31Å; S162-Y237 WeakPolarHBondContact OG-CE2 3.48Å; S162-T240 VanDerWaalsContact O-CG2 3.27Å; S162-T240 WeakPolarHBondContact O-CG2 3.29Å
163K98.6Very high98.2Very high1 Ų116.8 Ų16.80%0.0049%0.092CC..EExtended strand (participates in β ladder)trans-123.1133174.3-75.2-174.3179.3-1780109.9Y99 T214 L215 V231 E232 T240 S242Y99-K163 PolarHBondContact OH-NZ 3.44Å; K163-T214 WeakPolarHBondContact O-CA 3.47Å; K163-L215 PolarHBondContact N-O 3.45Å; K163-L215 VanDerWaalsContact N-O 3.12Å; K163-L215 PolarHBondContact O-N 2.81Å; K163-V231 HydrophobicContact CB-CG1 4.28Å; K163-V231 HydrophobicContact CD-CG1 4.1Å; K163-E232 CarbonylContact C-O 3.46Å; K163-E232 WeakPolarHBondContact CA-O 3.42Å; K163-T240 WeakPolarHBondContact CE-OG1 3.34Å; K163-T240 HydrophobicContact CG-CG2 4.44Å; K163-S242 PolarHBondContact NZ-OG 3.31Å
164R98.3Very high98.2Very high71 Ų7121 Ų2127%0.26812%0.119SC..EExtended strand (participates in β ladder)trans-89.1120.8172.9-176.3179.6-178-167.1-1.1108.8I166 V231 E232 L349R164-I166 HydrophobicContact CG-CG1 4.43Å; R164-V231 WeakPolarHBondContact O-CA 3.47Å; R164-E232 PolarHBondContact N-O 3.34Å; R164-E232 PolarHBondContact O-N 2.72Å; R164-L349 PolarHBondContact NH1-O 3.34Å; R164-L349 VanDerWaalsContact NH1-O 3.17Å; R164-L349 PolarHBondContact NH2-O 2.83Å
165W98.7Very high98.2Very high15 Ų1524.1 Ų24.16%0.05713%0.131CC..EExtended strand (participates in β ladder)trans-108137.7173.7-72.268.8000109.2V156 L167 P212 I213 L215 L221 V223 H229 F230 V231V156-W165 HydrophobicContact CB-CZ2 4.29Å; V156-W165 HydrophobicContact CG1-CH2 4.3Å; V156-W165 HydrophobicContact CG1-CZ2 3.66Å; V156-W165 HydrophobicContact CG2-CH2 3.66Å; V156-W165 HydrophobicContact CG2-CZ2 3.91Å; V156-W165 HydrophobicContact CG2-CZ3 4.42Å; W165-L167 HydrophobicContact CB-CD1 4.06Å; W165-P212 CarbonylContact O-C 3.27Å; W165-P212 WeakPolarHBondContact O-CA 3.28Å; W165-I213 HydrophobicContact CB-CG2 3.71Å; W165-I213 HydrophobicContact CG-CG2 4.48Å; W165-I213 PolarHBondContact N-O 3.05Å; W165-I213 PolarHBondContact O-N 3.24Å; W165-L215 HydrophobicContact CG-CD1 4.45Å; W165-L221 HydrophobicContact CB-CD2 4.36Å; W165-L221 HydrophobicContact CD2-CD2 3.53Å; W165-L221 HydrophobicContact CE3-CD2 3.59Å; W165-L221 HydrophobicContact CG-CD2 3.88Å; W165-L221 HydrophobicContact CZ3-CD2 4.16Å; W165-V223 HydrophobicContact CZ3-CG2 4.1Å; W165-H229 HydrophobicContact CE3-CB 4.28Å; W165-H229 HydrophobicContact CZ3-CB 4.35Å; W165-H229 AromaticContact CZ3-CD2 3.61Å; W165-F230 WeakPolarHBondContact CA-O 3.25Å; W165-V231 HydrophobicContact CD2-CB 4.48Å; W165-V231 HydrophobicContact CD2-CG1 4.12Å; W165-V231 HydrophobicContact CD2-CG2 3.6Å; W165-V231 HydrophobicContact CE3-CG2 3.55Å; W165-V231 HydrophobicContact CG-CG1 4.32Å; W165-V231 HydrophobicContact CG-CG2 4.29Å; W165-V231 HydrophobicContact CH2-CG2 3.71Å; W165-V231 HydrophobicContact CZ2-CG1 3.97Å; W165-V231 HydrophobicContact CZ2-CG2 3.77Å; W165-V231 HydrophobicContact CZ3-CG2 3.61Å
166I98.6Very high98.3Very high0 Ų024.1 Ų24.10%013%0.131CC..EExtended strand (participates in β ladder)trans-129.9108.2172.2-55.9175.9000106.3R164 F168 P210 H229 F230 L349 F350R164-I166 HydrophobicContact CG-CG1 4.43Å; I166-F168 HydrophobicContact CB-CE2 4.45Å; I166-F168 HydrophobicContact CG2-CE1 4.34Å; I166-F168 HydrophobicContact CG2-CE2 3.78Å; I166-F168 HydrophobicContact CG2-CZ 3.59Å; I166-P210 HydrophobicContact CG2-CB 3.73Å; I166-H229 CarbonylContact O-C 3.51Å; I166-H229 VanDerWaalsContact O-CA 3.29Å; I166-H229 WeakPolarHBondContact O-CA 3.11Å; I166-F230 HydrophobicContact CD1-CD1 4.25Å; I166-F230 PolarHBondContact N-O 3.1Å; I166-F230 PolarHBondContact O-N 3.33Å; I166-L349 HydrophobicContact CG2-CD1 4.12Å; I166-F350 HydrophobicContact CB-CZ 4.38Å; I166-F350 HydrophobicContact CD1-CE1 3.51Å; I166-F350 HydrophobicContact CD1-CE2 3.8Å; I166-F350 HydrophobicContact CD1-CZ 3.1Å; I166-F350 HydrophobicContact CG1-CZ 4.29Å; I166-F350 HydrophobicContact CG2-CE2 4.26Å; I166-F350 HydrophobicContact CG2-CZ 4.1Å
167L98.9Very high98.2Very high0 Ų026.7 Ų26.70%014%0.141CC..EExtended strand (participates in β ladder)trans-100.4147.9-177.3-57.8100.4000110.7P17 W165 P210 Y211 I213 V223 W227 W228 H229 L341P17-L167 HydrophobicContact CB-CD2 4.28Å; W165-L167 HydrophobicContact CB-CD1 4.06Å; L167-P210 CarbonylContact O-C 3.47Å; L167-P210 WeakPolarHBondContact O-CA 3.37Å; L167-Y211 WeakPolarHBondContact CD1-O 3.41Å; L167-Y211 PolarHBondContact N-O 3.29Å; L167-Y211 PolarHBondContact O-N 2.83Å; L167-I213 HydrophobicContact CD1-CG2 4.19Å; L167-V223 HydrophobicContact CD2-CB 4.36Å; L167-V223 HydrophobicContact CD2-CG1 3.73Å; L167-V223 HydrophobicContact CD2-CG2 3.94Å; L167-W227 HydrophobicContact CB-CE3 3.9Å; L167-W227 HydrophobicContact CB-CZ3 4.36Å; L167-W228 CarbonylContact C-O 3.46Å; L167-W228 WeakPolarHBondContact CA-O 3.41Å; L167-H229 HydrophobicContact CD2-CB 4.35Å; L167-H229 HydrophobicContact CG-CB 4.15Å; L167-L341 HydrophobicContact CD1-CD2 3.58Å
168F98.8Very high98.1Very high0 Ų028.2 Ų28.20%015%0.148CC..EExtended strand (participates in β ladder)trans-129136.3174.1-45.7-104.6000109.7I166 D172 M176 F194 T208 P210 W227 W228 L346I166-F168 HydrophobicContact CB-CE2 4.45Å; I166-F168 HydrophobicContact CG2-CE1 4.34Å; I166-F168 HydrophobicContact CG2-CE2 3.78Å; I166-F168 HydrophobicContact CG2-CZ 3.59Å; F168-D172 HydrophobicContact CB-CB 4.17Å; F168-M176 HydrophobicContact CB-SD 4.38Å; F168-M176 HydrophobicContact CD1-SD 4.33Å; F168-M176 HydrophobicContact CD2-CE 3.83Å; F168-M176 HydrophobicContact CD2-SD 4.45Å; F168-M176 HydrophobicContact CE2-CE 4.18Å; F168-M176 HydrophobicContact CG-CE 4.13Å; F168-M176 HydrophobicContact CG-SD 4.15Å; F168-F194 HydrophobicContact CE1-CE1 4.22Å; F168-F194 HydrophobicContact CE2-CD1 4.5Å; F168-F194 AromaticContact CE2-CE1 3.85Å; F168-F194 HydrophobicContact CE2-CE1 3.85Å; F168-F194 HydrophobicContact CE2-CZ 4.13Å; F168-F194 HydrophobicContact CZ-CD1 4.15Å; F168-F194 AromaticContact CZ-CE1 3.39Å; F168-F194 HydrophobicContact CZ-CE1 3.39Å; F168-F194 HydrophobicContact CZ-CZ 4Å; F168-T208 HydrophobicContact CD1-CG2 4.31Å; F168-P210 HydrophobicContact CD1-CB 3.88Å; F168-P210 HydrophobicContact CE1-CB 3.52Å; F168-P210 HydrophobicContact CE1-CG 4.17Å; F168-P210 HydrophobicContact CZ-CB 4.11Å; F168-W227 VanDerWaalsContact C-CE3 3.43Å; F168-W228 HydrophobicContact CB-CB 3.95Å; F168-W228 HydrophobicContact CD2-CB 4.05Å; F168-W228 HydrophobicContact CG-CB 4.43Å; F168-W228 PolarHBondContact N-O 2.85Å; F168-W228 PolarHBondContact O-N 3.37Å; F168-L346 HydrophobicContact CE1-CD1 4.08Å; F168-L346 HydrophobicContact CZ-CD1 4.48Å
169P98.5Very high98Very high14 Ų1428.4 Ų28.49%0.09115%0.149CC..  trans-63.4155-178.127.2-35.6000111S171 D172 T209 Y211 W227P169-S171 WeakPolarHBondContact CG-OG 3.34Å; P169-S171 PolarHBondContact O-N 3.19Å; P169-D172 WeakPolarHBondContact O-CB 3.42Å; P169-D172 PolarHBondContact O-N 3.18Å; P169-T209 VanDerWaalsContact CD-O 3.28Å; P169-T209 WeakPolarHBondContact CD-O 3.32Å; P169-Y211 HydrophobicContact CG-CE2 4.26Å; P169-W227 HydrophobicContact CB-CE3 4.45Å; P169-W227 HydrophobicContact CB-CH2 3.76Å; P169-W227 HydrophobicContact CB-CZ2 4.01Å; P169-W227 HydrophobicContact CB-CZ3 4Å
170P97.9Very high97.9Very high53 Ų5328.6 Ų28.634%0.34415%0.15SC..G310 helixtrans-54.1-27.4175.7-26.433000114.1D172 S173 N226P170-D172 PolarHBondContact O-N 3.34Å; P170-S173 WeakPolarHBondContact O-CB 3.36Å; P170-S173 PolarHBondContact O-N 3.14Å; P170-S173 VanDerWaalsContact O-N 3.17Å; P170-S173 PolarHBondContact O-OG 3.32Å; P170-N226 HydrophobicContact CB-CB 4.23Å; P170-N226 HydrophobicContact CG-CB 3.94Å
171S97.7Very high97.7Very high84 Ų8425.6 Ų25.659%0.58714%0.138SC*.G310 helixtrans-61.6-20.1174.856.30000114.1P169 S173 P174P169-S171 WeakPolarHBondContact CG-OG 3.34Å; P169-S171 PolarHBondContact O-N 3.19Å; S171-S173 VanDerWaalsContact C-N 3.31Å; S171-P174 WeakPolarHBondContact O-CD 3.26Å
172D98.2Very high97.5Very high4 Ų425.9 Ų25.92%0.02114%0.139CC..G310 helixtrans-81.6-9178.6-75.91.9000112.9F168 P169 P170 P174 Y175 M176 T208 T209F168-D172 HydrophobicContact CB-CB 4.17Å; P169-D172 WeakPolarHBondContact O-CB 3.42Å; P169-D172 PolarHBondContact O-N 3.18Å; P170-D172 PolarHBondContact O-N 3.34Å; D172-P174 VanDerWaalsContact C-N 3.28Å; D172-P174 VanDerWaalsContact O-N 3.07Å; D172-Y175 HydrophobicContact CB-CD2 4.41Å; D172-Y175 WeakPolarHBondContact O-CA 3.47Å; D172-Y175 WeakPolarHBondContact O-CB 3.47Å; D172-Y175 PolarHBondContact O-N 3.18Å; D172-M176 HydrophobicContact CB-CG 4.33Å; D172-M176 HydrophobicContact CB-SD 4.48Å; D172-M176 WeakPolarHBondContact O-CG 3.35Å; D172-M176 PolarHBondContact O-N 2.79Å; D172-T208 HydrophobicContact CB-CG2 4.22Å; D172-T208 VanDerWaalsContact OD2-CA 3.3Å; D172-T208 WeakPolarHBondContact OD2-CA 3.5Å; D172-T208 VanDerWaalsContact OD2-CB 3.28Å; D172-T208 WeakPolarHBondContact OD2-CB 3.11Å; D172-T209 PolarHBondContact OD2-N 2.93Å
173S97.8Very high97.4Very high20 Ų2025.9 Ų25.914%0.1414%0.139CC..G310 helixtrans-46.6-40.8-178.2-53.80000114.7P170 S171 Y175 M176 W228P170-S173 WeakPolarHBondContact O-CB 3.36Å; P170-S173 PolarHBondContact O-N 3.14Å; P170-S173 VanDerWaalsContact O-N 3.17Å; P170-S173 PolarHBondContact O-OG 3.32Å; S171-S173 VanDerWaalsContact C-N 3.31Å; S173-Y175 PolarHBondContact O-N 2.57Å; S173-M176 PolarHBondContact O-N 3.23Å; S173-M176 VanDerWaalsContact O-N 3.16Å; S173-W228 PolarHBondContact OG-NE1 2.85Å
174P97.1Very high97.2Very high92 Ų9227.2 Ų27.260%0.59715%0.145SC*.G310 helixtrans-60.7-16175.3-24.236.2000115.2S171 D172S171-P174 WeakPolarHBondContact O-CD 3.26Å; D172-P174 VanDerWaalsContact C-N 3.28Å; D172-P174 VanDerWaalsContact O-N 3.07Å
175Y97.9Very high97.1Very high72 Ų7226.8 Ų26.828%0.28215%0.146SC..G310 helixtrans-107.7-8.2-177.6-47.3-40.8000113.1D172 S173 Y177 L204 K207 T208D172-Y175 HydrophobicContact CB-CD2 4.41Å; D172-Y175 WeakPolarHBondContact O-CA 3.47Å; D172-Y175 WeakPolarHBondContact O-CB 3.47Å; D172-Y175 PolarHBondContact O-N 3.18Å; S173-Y175 PolarHBondContact O-N 2.57Å; Y175-Y177 VanDerWaalsContact C-N 3.35Å; Y175-Y177 VanDerWaalsContact O-CD2 3.23Å; Y175-Y177 WeakPolarHBondContact O-CD2 3.2Å; Y175-Y177 WeakPolarHBondContact O-CE2 3.31Å; Y175-L204 WeakPolarHBondContact CB-O 3.3Å; Y175-L204 HydrophobicContact CD1-CB 4.14Å; Y175-K207 HydrophobicContact CD1-CB 4.1Å; Y175-K207 HydrophobicContact CD1-CD 4.17Å; Y175-K207 HydrophobicContact CD2-CB 3.92Å; Y175-K207 HydrophobicContact CE1-CB 4.17Å; Y175-K207 HydrophobicContact CE1-CD 3.87Å; Y175-K207 HydrophobicContact CE2-CB 3.99Å; Y175-K207 HydrophobicContact CG-CB 3.98Å; Y175-T208 HydrophobicContact CD2-CG2 4.45Å
176M97.7Very high96.8Very high0 Ų027.3 Ų27.30%015%0.152CC..THydrogen-bonded Turntrans-86.9-1.1-172.9-65.8-57.8-70.900113.8C146 F168 D172 S173 E178 S190 F194 I205 T208 W228C146-M176 VanDerWaalsContact SG-CE 3.57Å; F168-M176 HydrophobicContact CB-SD 4.38Å; F168-M176 HydrophobicContact CD1-SD 4.33Å; F168-M176 HydrophobicContact CD2-CE 3.83Å; F168-M176 HydrophobicContact CD2-SD 4.45Å; F168-M176 HydrophobicContact CE2-CE 4.18Å; F168-M176 HydrophobicContact CG-CE 4.13Å; F168-M176 HydrophobicContact CG-SD 4.15Å; D172-M176 HydrophobicContact CB-CG 4.33Å; D172-M176 HydrophobicContact CB-SD 4.48Å; D172-M176 WeakPolarHBondContact O-CG 3.35Å; D172-M176 PolarHBondContact O-N 2.79Å; S173-M176 PolarHBondContact O-N 3.23Å; S173-M176 VanDerWaalsContact O-N 3.16Å; M176-E178 VanDerWaalsContact C-N 3.32Å; M176-E178 PolarHBondContact O-N 3.28Å; M176-S190 VanDerWaalsContact O-CB 3.27Å; M176-S190 WeakPolarHBondContact O-CB 3.3Å; M176-S190 PolarHBondContact O-OG 3.37Å; M176-F194 HydrophobicContact CE-CE2 3.99Å; M176-F194 HydrophobicContact CE-CZ 3.58Å; M176-F194 HydrophobicContact SD-CZ 4.36Å; M176-I205 HydrophobicContact SD-CD1 3.94Å; M176-T208 HydrophobicContact SD-CG2 3.81Å; M176-W228 HydrophobicContact CB-CD2 4Å; M176-W228 HydrophobicContact CB-CE3 4.14Å; M176-W228 HydrophobicContact CB-CH2 4.02Å; M176-W228 HydrophobicContact CB-CZ2 3.83Å; M176-W228 HydrophobicContact CB-CZ3 4.16Å; M176-W228 HydrophobicContact CE-CB 3.84Å; M176-W228 HydrophobicContact CE-CD2 3.95Å; M176-W228 HydrophobicContact CE-CE3 3.96Å; M176-W228 HydrophobicContact CE-CG 3.92Å; M176-W228 HydrophobicContact CG-CD2 3.74Å; M176-W228 HydrophobicContact CG-CE3 4.29Å; M176-W228 HydrophobicContact CG-CG 3.94Å; M176-W228 HydrophobicContact CG-CZ2 4.23Å
177Y97Very high96.8Very high56 Ų5627.6 Ų27.622%0.2215%0.154CC..THydrogen-bonded Turntrans50.653.6-177.6-62.6-92.8000111.5Y175 K191 V192 H202 P203 L204Y175-Y177 VanDerWaalsContact C-N 3.35Å; Y175-Y177 VanDerWaalsContact O-CD2 3.23Å; Y175-Y177 WeakPolarHBondContact O-CD2 3.2Å; Y175-Y177 WeakPolarHBondContact O-CE2 3.31Å; Y177-K191 WeakPolarHBondContact O-CG 3.43Å; Y177-K191 PolarHBondContact O-N 2.82Å; Y177-V192 HydrophobicContact CD2-CG2 3.66Å; Y177-V192 HydrophobicContact CG-CG2 4.2Å; Y177-H202 AromaticContact CD1-CD2 3.58Å; Y177-H202 HydrophobicContact CD2-CB 3.8Å; Y177-H202 AromaticContact CD2-CD2 3.91Å; Y177-H202 HydrophobicContact CE1-CB 4.37Å; Y177-H202 AromaticContact CE1-CD2 3.85Å; Y177-H202 HydrophobicContact CE2-CB 3.46Å; Y177-H202 VanDerWaalsContact CE2-CB 3.46Å; Y177-H202 HydrophobicContact CG-CB 4.4Å; Y177-H202 AromaticContact CG-CD2 3.62Å; Y177-H202 VanDerWaalsContact CZ-CA 3.4Å; Y177-H202 WeakPolarHBondContact OH-CA 3.37Å; Y177-P203 WeakPolarHBondContact OH-CD 3.42Å; Y177-L204 HydrophobicContact CE2-CB 3.84Å; Y177-L204 WeakPolarHBondContact OH-CB 3.4Å; Y177-L204 WeakPolarHBondContact OH-CG 3.48Å; Y177-L204 PolarHBondContact OH-N 2.91Å
178E97Very high96.7Very high31 Ų3127.7 Ų27.715%0.14515%0.154CC..EExtended strand (participates in β ladder)trans-62.7152.9-171.265.2178.4-166.900113.2R148 M176 V188 F189 W228 K376 P377R148-E178 IonicContact NH2-OE2 3.88Å; R148-E178 PolarHBondContact NH2-OE2 2.9Å; M176-E178 VanDerWaalsContact C-N 3.32Å; M176-E178 PolarHBondContact O-N 3.28Å; E178-V188 HydrophobicContact CB-CG1 3.91Å; E178-F189 CarbonylContact C-O 3.51Å; E178-F189 VanDerWaalsContact CA-O 3.26Å; E178-F189 WeakPolarHBondContact CA-O 3.33Å; E178-W228 HydrophobicContact CB-CH2 3.51Å; E178-W228 HydrophobicContact CB-CZ2 4.05Å; E178-K376 HydrophobicContact CG-CD 4.48Å; E178-K376 PolarHBondContact O-NZ 2.97Å; E178-P377 WeakPolarHBondContact OE1-CD 3.35Å
179T96.4Very high96.7Very high4 Ų427.8 Ų27.83%0.02516%0.155CC..EExtended strand (participates in β ladder)trans-151.3148.8175.3-171.80000110.7W60 L181 F189 K191 D372W60-T179 HydrophobicContact CH2-CG2 3.77Å; W60-T179 HydrophobicContact CZ3-CG2 4.4Å; T179-L181 VanDerWaalsContact CG2-O 3.31Å; T179-L181 WeakPolarHBondContact CG2-O 3.17Å; T179-L181 PolarHBondContact OG1-N 3.12Å; T179-F189 HydrophobicContact CG2-CB 3.86Å; T179-F189 PolarHBondContact N-O 3.11Å; T179-F189 PolarHBondContact O-N 3.35Å; T179-K191 HydrophobicContact CG2-CG 3.72Å; T179-K191 WeakPolarHBondContact OG1-CE 3.44Å; T179-D372 WeakPolarHBondContact CA-OD1 3.49Å; T179-D372 WeakPolarHBondContact CB-OD1 3.07Å; T179-D372 VanDerWaalsContact OG1-CG 3.25Å; T179-D372 PolarHBondContact OG1-OD1 3.3Å
180R96.3Very high96.7Very high5 Ų527.1 Ų27.12%0.01915%0.151CC..  trans-98.313.3169.3-64.3-51.9-56.4-126.13.1111.8P182 L183 E184 T187 E260 T263 D372 M375R180-P182 CarbonylContact O-C 3.58Å; R180-P182 VanDerWaalsContact O-C 3.27Å; R180-L183 HydrophobicContact CB-CD1 4.45Å; R180-L183 WeakPolarHBondContact O-CA 3.13Å; R180-L183 PolarHBondContact O-N 3.35Å; R180-L183 VanDerWaalsContact O-N 3.1Å; R180-E184 PolarHBondContact NH2-O 3.05Å; R180-T187 PolarHBondContact NE-O 3.27Å; R180-T187 VanDerWaalsContact NE-O 3.11Å; R180-T187 PolarHBondContact NH2-O 3.23Å; R180-T187 VanDerWaalsContact NH2-O 3.12Å; R180-E260 IonicContact CZ-OE1 3.45Å; R180-E260 IonicContact CZ-OE2 3.89Å; R180-E260 IonicContact NH1-OE1 2.69Å; R180-E260 PolarHBondContact NH1-OE1 2.77Å; R180-E260 IonicContact NH1-OE2 3.4Å; R180-E260 PolarHBondContact NH1-OE2 2.77Å; R180-E260 IonicContact NH2-OE1 2.62Å; R180-E260 IonicContact NH2-OE2 3.08Å; R180-E260 PolarHBondContact NH2-OE2 3.46Å; R180-T263 HydrophobicContact CG-CG2 4.29Å; R180-D372 PolarHBondContact N-OD1 3.33Å; R180-M375 HydrophobicContact CB-CB 3.8Å; R180-M375 HydrophobicContact CB-CE 3.78Å; R180-M375 HydrophobicContact CB-SD 4.4Å; R180-M375 HydrophobicContact CG-CB 4.01Å; R180-M375 WeakPolarHBondContact CG-O 3.43Å
181L94.2Very high96.6Very high15 Ų1528 Ų288%0.07915%0.149CC..  trans-112.5134.3177.2-68.7176.3000110.5W60 T179 L282 E368 D372 M375W60-L181 WeakPolarHBondContact CZ3-O 3.29Å; T179-L181 VanDerWaalsContact CG2-O 3.31Å; T179-L181 WeakPolarHBondContact CG2-O 3.17Å; T179-L181 PolarHBondContact OG1-N 3.12Å; L181-L282 HydrophobicContact CD1-CD2 4.22Å; L181-L282 HydrophobicContact CD2-CB 4.05Å; L181-L282 HydrophobicContact CD2-CD2 4.33Å; L181-L282 WeakPolarHBondContact CD2-O 3.35Å; L181-E368 HydrophobicContact CD1-CB 4.38Å; L181-D372 HydrophobicContact CD1-CB 3.85Å; L181-D372 HydrophobicContact CG-CB 4.44Å; L181-M375 HydrophobicContact CD1-CE 4.47Å; L181-M375 HydrophobicContact CD2-CE 3.34Å; L181-M375 HydrophobicContact CG-CE 3.63Å
182P94.1Very high96.6Very high6 Ų624.1 Ų24.14%0.03912%0.122CC..SBendcis-61.5142.5-10.328.6-34.7000111.3W60 T62 R180 E184 F189 L282W60-P182 HydrophobicContact CE3-CG 4.39Å; T62-P182 HydrophobicContact CG2-CB 3.69Å; T62-P182 HydrophobicContact CG2-CG 3.96Å; R180-P182 CarbonylContact O-C 3.58Å; R180-P182 VanDerWaalsContact O-C 3.27Å; P182-E184 PolarHBondContact O-N 3.38Å; P182-F189 HydrophobicContact CG-CE2 4.32Å; P182-F189 WeakPolarHBondContact O-CE2 3.21Å; P182-L282 CarbonylContact C-O 3.58Å; P182-L282 VanDerWaalsContact CA-O 3.28Å; P182-L282 WeakPolarHBondContact CA-O 3.28Å
183L95.2Very high96.5Very high1 Ų124.6 Ų24.61%0.00512%0.124CC..BIsolated β-bridgetrans-69.7119.4-179-179.761.6000109.4R180 T263 F268 L282 L283 H284 E287 M375R180-L183 HydrophobicContact CB-CD1 4.45Å; R180-L183 WeakPolarHBondContact O-CA 3.13Å; R180-L183 PolarHBondContact O-N 3.35Å; R180-L183 VanDerWaalsContact O-N 3.1Å; L183-T263 HydrophobicContact CD1-CG2 3.87Å; L183-F268 HydrophobicContact CD2-CD1 4.01Å; L183-F268 HydrophobicContact CD2-CE1 3.75Å; L183-L282 PolarHBondContact N-O 3.01Å; L183-L283 HydrophobicContact CB-CD2 3.91Å; L183-L283 HydrophobicContact CD2-CD2 4.11Å; L183-L283 HydrophobicContact CG-CD2 4.48Å; L183-H284 WeakPolarHBondContact O-CB 3.31Å; L183-H284 PolarHBondContact O-N 2.89Å; L183-E287 HydrophobicContact CG-CG 4.37Å; L183-E287 WeakPolarHBondContact O-CG 3.48Å; L183-M375 HydrophobicContact CD1-SD 4.2Å; L183-M375 HydrophobicContact CD2-SD 4.08Å
184E95.4Very high96.5Very high29 Ų2923.8 Ų23.814%0.13612%0.118CC..  trans-131.4128.2170.2-175.7179.8-151.200106.6R180 P182 S186 T187 F189 H284R180-E184 PolarHBondContact NH2-O 3.05Å; P182-E184 PolarHBondContact O-N 3.38Å; E184-S186 PolarHBondContact O-N 2.89Å; E184-T187 VanDerWaalsContact CD-OG1 3.29Å; E184-T187 PolarHBondContact O-N 3.22Å; E184-T187 VanDerWaalsContact OE2-CB 3.25Å; E184-T187 WeakPolarHBondContact OE2-CB 3.36Å; E184-T187 PolarHBondContact OE2-OG1 3Å; E184-F189 HydrophobicContact CB-CE2 4.31Å; E184-F189 WeakPolarHBondContact OE2-CZ 3.35Å; E184-H284 HydrophobicContact CB-CB 3.69Å; E184-H284 HydrophobicContact CG-CB 4.15Å; E184-H284 IonicContact OE1-CE1 3.91Å; E184-H284 PolarHBondContact OE1-CE1 3.48Å; E184-H284 VanDerWaalsContact OE1-CE1 3.25Å; E184-H284 IonicContact OE1-ND1 2.83Å; E184-H284 PolarHBondContact OE1-ND1 2.87Å; E184-H284 IonicContact OE1-NE2 3.65Å
185E95Very high96.4Very high62 Ų6221.3 Ų21.329%0.2910%0.101SC..THydrogen-bonded Turntrans-54136171.3-175-171.7175.900109.2Y151 T187 E260 E287Y151-E185 HydrophobicContact CE2-CG 4.28Å; Y151-E185 WeakPolarHBondContact CE2-OE1 3.26Å; Y151-E185 PolarHBondContact OH-OE1 3.22Å; E185-T187 PolarHBondContact O-N 2.75Å; E185-E260 HydrophobicContact CG-CB 4.2Å; E185-E287 VanDerWaalsContact CB-OE1 3.24Å; E185-E287 WeakPolarHBondContact CB-OE1 3.38Å; E185-E287 PolarHBondContact N-OE1 3.12Å
186S94Very high96.2Very high26 Ų2620.1 Ų20.118%0.18210%0.1CC..THydrogen-bonded Turntrans72.31175.579.40000117.6D149 T150 E184 E260D149-S186 CarbonylContact C-O 3.43Å; D149-S186 WeakPolarHBondContact CA-O 3.47Å; T150-S186 PolarHBondContact N-O 3.47Å; T150-S186 WeakPolarHBondContact OG1-CA 3.39Å; T150-S186 PolarHBondContact OG1-O 3.24Å; E184-S186 PolarHBondContact O-N 2.89Å; S186-E260 PolarHBondContact N-OE2 2.91Å
187T97Very high96.1Very high6 Ų620.1 Ų20.14%0.03710%0.1CC..EExtended strand (participates in β ladder)trans-116.2130.6178.5-49.40000111.9H147 R180 E184 E185 F189H147-T187 HydrophobicContact CB-CG2 3.65Å; R180-T187 PolarHBondContact NE-O 3.27Å; R180-T187 VanDerWaalsContact NE-O 3.11Å; R180-T187 PolarHBondContact NH2-O 3.23Å; R180-T187 VanDerWaalsContact NH2-O 3.12Å; E184-T187 VanDerWaalsContact CD-OG1 3.29Å; E184-T187 PolarHBondContact O-N 3.22Å; E184-T187 VanDerWaalsContact OE2-CB 3.25Å; E184-T187 WeakPolarHBondContact OE2-CB 3.36Å; E184-T187 PolarHBondContact OE2-OG1 3Å; E185-T187 PolarHBondContact O-N 2.75Å; T187-F189 HydrophobicContact CG2-CD1 4Å; T187-F189 HydrophobicContact CG2-CD2 4.14Å; T187-F189 HydrophobicContact CG2-CE1 3.52Å; T187-F189 HydrophobicContact CG2-CE2 3.68Å; T187-F189 HydrophobicContact CG2-CG 4.28Å; T187-F189 HydrophobicContact CG2-CZ 3.35Å
188V97.9Very high96Very high1 Ų118.4 Ų18.41%0.00610%0.095CC..EExtended strand (participates in β ladder)trans-115.8117.3167.5-1720000108.7H147 R148 T150 E178 W228 P377H147-V188 CarbonylContact C-O 3.5Å; H147-V188 WeakPolarHBondContact CA-O 3.47Å; H147-V188 VanDerWaalsContact CB-O 3.28Å; H147-V188 WeakPolarHBondContact CB-O 3.34Å; R148-V188 HydrophobicContact CG-CB 3.86Å; R148-V188 HydrophobicContact CG-CG2 4.37Å; R148-V188 PolarHBondContact N-O 3.35Å; R148-V188 PolarHBondContact O-N 3.25Å; T150-V188 HydrophobicContact CG2-CG2 3.96Å; E178-V188 HydrophobicContact CB-CG1 3.91Å; V188-W228 HydrophobicContact CB-CH2 4.34Å; V188-W228 HydrophobicContact CG1-CH2 3.79Å; V188-W228 HydrophobicContact CG1-CZ3 4.45Å; V188-W228 WeakPolarHBondContact O-CZ3 3.19Å; V188-P377 HydrophobicContact CG1-CG 4.44Å; V188-P377 HydrophobicContact CG2-CG 4.5Å
189F98.2Very high95.7Very high2 Ų218 Ų181%0.00910%0.095CC..EExtended strand (participates in β ladder)trans-90159.2-177.4-62.5-78.5000112.4W60 I145 H147 E178 T179 P182 E184 T187W60-F189 HydrophobicContact CH2-CB 4.16Å; W60-F189 HydrophobicContact CZ3-CB 3.78Å; W60-F189 HydrophobicContact CZ3-CD1 4.45Å; W60-F189 HydrophobicContact CZ3-CD2 4.46Å; W60-F189 AromaticContact CZ3-CG 4Å; W60-F189 HydrophobicContact CZ3-CG 4Å; I145-F189 HydrophobicContact CB-CD1 4.12Å; I145-F189 HydrophobicContact CB-CE1 4.46Å; I145-F189 HydrophobicContact CG2-CD1 3.89Å; H147-F189 HydrophobicContact CB-CD1 3.76Å; H147-F189 HydrophobicContact CB-CE1 4.15Å; H147-F189 HydrophobicContact CB-CG 4.45Å; E178-F189 CarbonylContact C-O 3.51Å; E178-F189 VanDerWaalsContact CA-O 3.26Å; E178-F189 WeakPolarHBondContact CA-O 3.33Å; T179-F189 HydrophobicContact CG2-CB 3.86Å; T179-F189 PolarHBondContact N-O 3.11Å; T179-F189 PolarHBondContact O-N 3.35Å; P182-F189 HydrophobicContact CG-CE2 4.32Å; P182-F189 WeakPolarHBondContact O-CE2 3.21Å; E184-F189 HydrophobicContact CB-CE2 4.31Å; E184-F189 WeakPolarHBondContact OE2-CZ 3.35Å; T187-F189 HydrophobicContact CG2-CD1 4Å; T187-F189 HydrophobicContact CG2-CD2 4.14Å; T187-F189 HydrophobicContact CG2-CE1 3.52Å; T187-F189 HydrophobicContact CG2-CE2 3.68Å; T187-F189 HydrophobicContact CG2-CG 4.28Å; T187-F189 HydrophobicContact CG2-CZ 3.35Å
190S98Very high95.5Very high0 Ų023.2 Ų23.20%012%0.117CC..EExtended strand (participates in β ladder)trans-96.9137.6164.8177.80000110C146 M176 V192C146-S190 PolarHBondContact O-N 2.86Å; M176-S190 VanDerWaalsContact O-CB 3.27Å; M176-S190 WeakPolarHBondContact O-CB 3.3Å; M176-S190 PolarHBondContact O-OG 3.37Å; S190-V192 PolarHBondContact O-N 2.68Å; S190-V192 WeakPolarHBondContact OG-CB 3.48Å; S190-V192 WeakPolarHBondContact OG-CG2 3.49Å; S190-V192 PolarHBondContact OG-N 2.93Å; S190-V192 VanDerWaalsContact OG-N 3.13Å
191K96.7Very high95.3Very high72 Ų7226.8 Ų26.831%0.31313%0.133SC..SBendtrans-74.1-4170.7-62.5-174.6-171.4-171.10113.4V58 Y177 T179 H202 D372V58-K191 WeakPolarHBondContact CG2-O 3.5Å; Y177-K191 WeakPolarHBondContact O-CG 3.43Å; Y177-K191 PolarHBondContact O-N 2.82Å; T179-K191 HydrophobicContact CG2-CG 3.72Å; T179-K191 WeakPolarHBondContact OG1-CE 3.44Å; K191-H202 PolarHBondContact O-CE1 2.76Å; K191-H202 VanDerWaalsContact O-CE1 3.31Å; K191-D372 WeakPolarHBondContact CE-OD2 3.24Å; K191-D372 IonicContact NZ-OD2 3.36Å; K191-D372 PolarHBondContact NZ-OD2 2.92Å
192V96.9Very high95.4Very high2 Ų226.9 Ų26.91%0.01213%0.133CC..SBendtrans-81.7130.6-178.8-175.80000110.4Y177 S190 F194 P197 H202 I205Y177-V192 HydrophobicContact CD2-CG2 3.66Å; Y177-V192 HydrophobicContact CG-CG2 4.2Å; S190-V192 PolarHBondContact O-N 2.68Å; S190-V192 WeakPolarHBondContact OG-CB 3.48Å; S190-V192 WeakPolarHBondContact OG-CG2 3.49Å; S190-V192 PolarHBondContact OG-N 2.93Å; S190-V192 VanDerWaalsContact OG-N 3.13Å; V192-F194 HydrophobicContact CB-CD2 4.04Å; V192-F194 HydrophobicContact CB-CE2 3.67Å; V192-F194 HydrophobicContact CB-CZ 4.23Å; V192-F194 HydrophobicContact CG1-CD2 4.17Å; V192-F194 HydrophobicContact CG1-CE2 4.02Å; V192-F194 HydrophobicContact CG1-CZ 4.28Å; V192-F194 VanDerWaalsContact O-CD2 3.3Å; V192-F194 WeakPolarHBondContact O-CD2 3.33Å; V192-F194 PolarHBondContact O-N 3.34Å; V192-F194 VanDerWaalsContact O-N 3.14Å; V192-P197 HydrophobicContact CG1-CB 4.27Å; V192-H202 HydrophobicContact CG2-CB 3.85Å; V192-I205 HydrophobicContact CG1-CG1 4.46Å; V192-I205 HydrophobicContact CG2-CD1 4.27Å
193N96.8Very high95.4Very high14 Ų1429.9 Ų29.98%0.07515%0.152CC..  trans-7696.5169.9179.89.9000110.4S55 I56 E57 V58 T195 L196 P197S55-N193 PolarHBondContact O-ND2 2.86Å; I56-N193 VanDerWaalsContact C-ND2 3.25Å; I56-N193 PolarHBondContact O-ND2 3.23Å; E57-N193 PolarHBondContact O-ND2 3.47Å; V58-N193 HydrophobicContact CG2-CB 3.87Å; N193-T195 VanDerWaalsContact C-N 3.25Å; N193-T195 PolarHBondContact ND2-OG1 3.07Å; N193-T195 PolarHBondContact O-N 3.47Å; N193-T195 PolarHBondContact OD1-N 2.87Å; N193-T195 VanDerWaalsContact OD1-N 3.13Å; N193-T195 PolarHBondContact OD1-OG1 3Å; N193-L196 CarbonylContact O-C 3.56Å; N193-L196 PolarHBondContact O-N 3.41Å; N193-P197 WeakPolarHBondContact O-CA 3.49Å; N193-P197 WeakPolarHBondContact O-CD 3.42Å
194F96.7Very high95.4Very high4 Ų432.8 Ų32.82%0.01817%0.167CC..THydrogen-bonded Turntrans-75-8.4-180-78.5-87.4000114.8C146 F168 M176 V192 L196 I205 F230 F350C146-F194 HydrophobicContact CB-CD2 3.2Å; C146-F194 HydrophobicContact CB-CE2 3.36Å; C146-F194 HydrophobicContact CB-CG 4.05Å; C146-F194 HydrophobicContact CB-CZ 4.33Å; C146-F194 VanDerWaalsContact SG-CE2 3.59Å; F168-F194 HydrophobicContact CE1-CE1 4.22Å; F168-F194 HydrophobicContact CE2-CD1 4.5Å; F168-F194 AromaticContact CE2-CE1 3.85Å; F168-F194 HydrophobicContact CE2-CE1 3.85Å; F168-F194 HydrophobicContact CE2-CZ 4.13Å; F168-F194 HydrophobicContact CZ-CD1 4.15Å; F168-F194 AromaticContact CZ-CE1 3.39Å; F168-F194 HydrophobicContact CZ-CE1 3.39Å; F168-F194 HydrophobicContact CZ-CZ 4Å; M176-F194 HydrophobicContact CE-CE2 3.99Å; M176-F194 HydrophobicContact CE-CZ 3.58Å; M176-F194 HydrophobicContact SD-CZ 4.36Å; V192-F194 HydrophobicContact CB-CD2 4.04Å; V192-F194 HydrophobicContact CB-CE2 3.67Å; V192-F194 HydrophobicContact CB-CZ 4.23Å; V192-F194 HydrophobicContact CG1-CD2 4.17Å; V192-F194 HydrophobicContact CG1-CE2 4.02Å; V192-F194 HydrophobicContact CG1-CZ 4.28Å; V192-F194 VanDerWaalsContact O-CD2 3.3Å; V192-F194 WeakPolarHBondContact O-CD2 3.33Å; V192-F194 PolarHBondContact O-N 3.34Å; V192-F194 VanDerWaalsContact O-N 3.14Å; F194-L196 VanDerWaalsContact C-N 3.28Å; F194-I205 HydrophobicContact CE1-CD1 3.95Å; F194-I205 HydrophobicContact CE1-CG1 4.33Å; F194-I205 HydrophobicContact CZ-CD1 3.53Å; F194-I205 HydrophobicContact CZ-CG1 4.33Å; F194-F230 HydrophobicContact CB-CB 4.14Å; F194-F230 HydrophobicContact CB-CD1 3.96Å; F194-F230 HydrophobicContact CB-CD2 3.54Å; F194-F230 HydrophobicContact CB-CE1 4.23Å; F194-F230 HydrophobicContact CB-CE2 3.85Å; F194-F230 HydrophobicContact CB-CG 3.59Å; F194-F230 HydrophobicContact CB-CZ 4.18Å; F194-F230 HydrophobicContact CG-CB 4.31Å; F194-F230 HydrophobicContact CG-CD2 4.46Å; F194-F230 HydrophobicContact CG-CG 4.29Å; F194-F350 HydrophobicContact CB-CE1 4.18Å; F194-F350 HydrophobicContact CB-CZ 4.5Å; F194-F350 AromaticContact CD1-CE1 3.99Å; F194-F350 HydrophobicContact CD1-CE1 3.99Å; F194-F350 HydrophobicContact CD1-CE2 4.1Å; F194-F350 AromaticContact CD1-CZ 3.55Å; F194-F350 HydrophobicContact CD1-CZ 3.55Å; F194-F350 HydrophobicContact CE1-CZ 4.3Å; F194-F350 HydrophobicContact CG-CZ 4.49Å; F194-F350 WeakPolarHBondContact O-CD1 3.12Å; F194-F350 WeakPolarHBondContact O-CE1 3.39Å
195T95.1Very high95.4Very high39 Ų3931.4 Ų31.424%0.23916%0.161CC..THydrogen-bonded Turntrans-72.8-27.2168.268.40000111.7N193 F230N193-T195 VanDerWaalsContact C-N 3.25Å; N193-T195 PolarHBondContact ND2-OG1 3.07Å; N193-T195 PolarHBondContact O-N 3.47Å; N193-T195 PolarHBondContact OD1-N 2.87Å; N193-T195 VanDerWaalsContact OD1-N 3.13Å; N193-T195 PolarHBondContact OD1-OG1 3Å; T195-F230 HydrophobicContact CG2-CE2 4.23Å; T195-F230 HydrophobicContact CG2-CZ 3.96Å
196L95.6Very high95.4Very high48 Ų4832.6 Ų32.625%0.25117%0.169SC..SBendtrans-156.878.4178.2-173.866.1000110.3I56 N193 F194 N198 T351I56-L196 HydrophobicContact CG2-CD2 4.3Å; N193-L196 CarbonylContact O-C 3.56Å; N193-L196 PolarHBondContact O-N 3.41Å; F194-L196 VanDerWaalsContact C-N 3.28Å; L196-N198 PolarHBondContact O-N 3.27Å; L196-T351 HydrophobicContact CD1-CG2 4.26Å
197P95.7Very high95.6Very high0 Ų037.4 Ų37.40%019%0.186CC..  trans-61.3134.9-175.5-23.131.6000112.5V192 N193 F350 T351 I352 S353V192-P197 HydrophobicContact CG1-CB 4.27Å; N193-P197 WeakPolarHBondContact O-CA 3.49Å; N193-P197 WeakPolarHBondContact O-CD 3.42Å; P197-F350 HydrophobicContact CG-CB 3.83Å; P197-F350 HydrophobicContact CG-CD1 3.97Å; P197-F350 HydrophobicContact CG-CD2 4.39Å; P197-F350 HydrophobicContact CG-CG 3.82Å; P197-T351 WeakPolarHBondContact CD-O 3.3Å; P197-I352 HydrophobicContact CB-CD1 3.93Å; P197-I352 HydrophobicContact CG-CD1 4.27Å; P197-I352 CarbonylContact O-C 3.56Å; P197-I352 WeakPolarHBondContact O-CA 3.44Å; P197-I352 WeakPolarHBondContact O-CG2 3.45Å; P197-S353 PolarHBondContact O-N 2.76Å
198N94.4Very high95.6Very high20 Ų2037.6 Ų37.611%0.10719%0.188CC..BIsolated β-bridgetrans-105.6107.9173.5-176-40.5000110L196 K200 K201 H202 E355L196-N198 PolarHBondContact O-N 3.27Å; N198-K200 VanDerWaalsContact C-N 3.31Å; N198-K200 PolarHBondContact O-N 2.87Å; N198-K200 WeakPolarHBondContact OD1-CA 3.48Å; N198-K200 WeakPolarHBondContact OD1-CB 3.25Å; N198-K200 PolarHBondContact OD1-N 3.09Å; N198-K201 HydrophobicContact CB-CB 4.13Å; N198-K201 PolarHBondContact O-N 3.11Å; N198-K201 PolarHBondContact OD1-N 2.79Å; N198-H202 PolarHBondContact O-N 3.44Å; N198-E355 PolarHBondContact ND2-O 3.09Å
199C91.2Very high95.6Very high22 Ų2240.3 Ų40.315%0.14920%0.204CC..THydrogen-bonded Turntrans-77.4-11.7-177.8-68.40000113.9P203 L206 I352C199-P203 WeakPolarHBondContact O-CA 3.26Å; C199-P203 WeakPolarHBondContact O-CB 3.11Å; C199-L206 HydrophobicContact CB-CD1 4.18Å; C199-L206 HydrophobicContact CB-CG 4.35Å; C199-I352 HydrophobicContact CB-CG2 3.96Å; C199-I352 VanDerWaalsContact SG-CG2 3.52Å
200K91.6Very high95.6Very high113 Ų11340.2 Ų40.249%0.49120%0.204SC..THydrogen-bonded Turntrans-77.6-42.2170.1-66.2177.5176.2172.30110.8N198 E354 D356N198-K200 VanDerWaalsContact C-N 3.31Å; N198-K200 PolarHBondContact O-N 2.87Å; N198-K200 WeakPolarHBondContact OD1-CA 3.48Å; N198-K200 WeakPolarHBondContact OD1-CB 3.25Å; N198-K200 PolarHBondContact OD1-N 3.09Å; K200-E354 WeakPolarHBondContact CE-O 3.47Å; K200-E354 PolarHBondContact NZ-O 2.68Å; K200-D356 IonicContact NZ-OD1 3.92Å; K200-D356 PolarHBondContact NZ-OD1 2.99Å
201K92.3Very high95.6Very high81 Ų8142.1 Ų42.135%0.35221%0.211SC..THydrogen-bonded Turntrans-71.4-38.6176-167.6175.9-178.1173.50111.6E57 N198 A357E57-K201 VanDerWaalsContact CD-NZ 3.26Å; E57-K201 IonicContact OE1-NZ 2.7Å; E57-K201 PolarHBondContact OE1-NZ 3.37Å; E57-K201 IonicContact OE2-NZ 3.45Å; E57-K201 PolarHBondContact OE2-NZ 3.2Å; N198-K201 HydrophobicContact CB-CB 4.13Å; N198-K201 PolarHBondContact O-N 3.11Å; N198-K201 PolarHBondContact OD1-N 2.79Å; K201-A357 HydrophobicContact CB-CB 4.38Å
202H94.9Very high95.7Very high17 Ų1740.1 Ų40.18%0.07921%0.206CC..  trans-129.659.9-173.6-57.6122.3000112.9Y177 K191 V192 N198 L204 I205Y177-H202 AromaticContact CD1-CD2 3.58Å; Y177-H202 HydrophobicContact CD2-CB 3.8Å; Y177-H202 AromaticContact CD2-CD2 3.91Å; Y177-H202 HydrophobicContact CE1-CB 4.37Å; Y177-H202 AromaticContact CE1-CD2 3.85Å; Y177-H202 HydrophobicContact CE2-CB 3.46Å; Y177-H202 VanDerWaalsContact CE2-CB 3.46Å; Y177-H202 HydrophobicContact CG-CB 4.4Å; Y177-H202 AromaticContact CG-CD2 3.62Å; Y177-H202 VanDerWaalsContact CZ-CA 3.4Å; Y177-H202 WeakPolarHBondContact OH-CA 3.37Å; K191-H202 PolarHBondContact O-CE1 2.76Å; K191-H202 VanDerWaalsContact O-CE1 3.31Å; V192-H202 HydrophobicContact CG2-CB 3.85Å; N198-H202 PolarHBondContact O-N 3.44Å; H202-L204 VanDerWaalsContact C-N 3.26Å; H202-L204 PolarHBondContact O-N 3.47Å; H202-L204 VanDerWaalsContact O-N 3.12Å; H202-I205 WeakPolarHBondContact O-CB 3.45Å; H202-I205 WeakPolarHBondContact O-CG2 3.41Å; H202-I205 PolarHBondContact O-N 2.91Å; H202-I205 VanDerWaalsContact O-N 3.09Å
203P94.2Very high95.8Very high69 Ų6941.4 Ų41.445%0.44821%0.212SC..G310 helixtrans-59.6-26.5-171.323.4-36.2000115.9Y177 C199 I205 L206Y177-P203 WeakPolarHBondContact OH-CD 3.42Å; C199-P203 WeakPolarHBondContact O-CA 3.26Å; C199-P203 WeakPolarHBondContact O-CB 3.11Å; P203-I205 PolarHBondContact O-N 3.46Å; P203-L206 PolarHBondContact O-N 3.34Å
204L96.3Very high95.9Very high61 Ų6142.9 Ų42.932%0.31922%0.222SC..G310 helixtrans-68.8-18.9179.7-62.7176.9000112.5Y175 Y177 H202 L206 K207Y175-L204 WeakPolarHBondContact CB-O 3.3Å; Y175-L204 HydrophobicContact CD1-CB 4.14Å; Y177-L204 HydrophobicContact CE2-CB 3.84Å; Y177-L204 WeakPolarHBondContact OH-CB 3.4Å; Y177-L204 WeakPolarHBondContact OH-CG 3.48Å; Y177-L204 PolarHBondContact OH-N 2.91Å; H202-L204 VanDerWaalsContact C-N 3.26Å; H202-L204 PolarHBondContact O-N 3.47Å; H202-L204 VanDerWaalsContact O-N 3.12Å; L204-L206 PolarHBondContact O-N 3.02Å; L204-L206 VanDerWaalsContact O-N 3.11Å; L204-K207 HydrophobicContact CD2-CD 4.09Å; L204-K207 VanDerWaalsContact O-CB 3.3Å; L204-K207 WeakPolarHBondContact O-CB 3.23Å; L204-K207 PolarHBondContact O-N 2.89Å
205I95.8Very high96Very high0 Ų042.7 Ų42.70%022%0.221CC..G310 helixtrans-60.7-26.7-179.2-160.169.5000112.3M176 V192 F194 H202 P203 K207 T208 L346M176-I205 HydrophobicContact SD-CD1 3.94Å; V192-I205 HydrophobicContact CG1-CG1 4.46Å; V192-I205 HydrophobicContact CG2-CD1 4.27Å; F194-I205 HydrophobicContact CE1-CD1 3.95Å; F194-I205 HydrophobicContact CE1-CG1 4.33Å; F194-I205 HydrophobicContact CZ-CD1 3.53Å; F194-I205 HydrophobicContact CZ-CG1 4.33Å; H202-I205 WeakPolarHBondContact O-CB 3.45Å; H202-I205 WeakPolarHBondContact O-CG2 3.41Å; H202-I205 PolarHBondContact O-N 2.91Å; H202-I205 VanDerWaalsContact O-N 3.09Å; P203-I205 PolarHBondContact O-N 3.46Å; I205-K207 PolarHBondContact O-N 2.84Å; I205-T208 HydrophobicContact CD1-CG2 3.73Å; I205-T208 HydrophobicContact CG1-CG2 4.35Å; I205-T208 WeakPolarHBondContact O-CB 3.31Å; I205-T208 WeakPolarHBondContact O-CG2 3.45Å; I205-T208 PolarHBondContact O-N 2.8Å; I205-T208 VanDerWaalsContact O-N 3.12Å; I205-T208 PolarHBondContact O-OG1 2.87Å; I205-L346 HydrophobicContact CG1-CD1 4.09Å; I205-L346 HydrophobicContact CG1-CD2 4.16Å; I205-L346 HydrophobicContact CG2-CD2 3.89Å
206L94.7Very high96.1Very high87 Ų8745.7 Ų45.746%0.45523%0.229SC..G310 helixtrans-65.1-15174.5-67.3174.7000113.7C199 P203 L204 L346 N347C199-L206 HydrophobicContact CB-CD1 4.18Å; C199-L206 HydrophobicContact CB-CG 4.35Å; P203-L206 PolarHBondContact O-N 3.34Å; L204-L206 PolarHBondContact O-N 3.02Å; L204-L206 VanDerWaalsContact O-N 3.11Å; L206-L346 HydrophobicContact CD2-CD2 4.03Å; L206-N347 VanDerWaalsContact CD2-OD1 3.26Å; L206-N347 WeakPolarHBondContact CD2-OD1 3.26Å
207K96.8Very high96.3Very high127 Ų12745.8 Ų45.855%0.55223%0.232SC*.G310 helixtrans-89.4-4.7176.3-60.9-177175.8-179.30113.5Y175 L204 I205Y175-K207 HydrophobicContact CD1-CB 4.1Å; Y175-K207 HydrophobicContact CD1-CD 4.17Å; Y175-K207 HydrophobicContact CD2-CB 3.92Å; Y175-K207 HydrophobicContact CE1-CB 4.17Å; Y175-K207 HydrophobicContact CE1-CD 3.87Å; Y175-K207 HydrophobicContact CE2-CB 3.99Å; Y175-K207 HydrophobicContact CG-CB 3.98Å; L204-K207 HydrophobicContact CD2-CD 4.09Å; L204-K207 VanDerWaalsContact O-CB 3.3Å; L204-K207 WeakPolarHBondContact O-CB 3.23Å; L204-K207 PolarHBondContact O-N 2.89Å; I205-K207 PolarHBondContact O-N 2.84Å
208T97.9Very high96.4Very high11 Ų1145.8 Ų45.87%0.06723%0.232CC..  trans-72.4158.7178.5620000112.2F168 D172 Y175 M176 I205 P210F168-T208 HydrophobicContact CD1-CG2 4.31Å; D172-T208 HydrophobicContact CB-CG2 4.22Å; D172-T208 VanDerWaalsContact OD2-CA 3.3Å; D172-T208 WeakPolarHBondContact OD2-CA 3.5Å; D172-T208 VanDerWaalsContact OD2-CB 3.28Å; D172-T208 WeakPolarHBondContact OD2-CB 3.11Å; Y175-T208 HydrophobicContact CD2-CG2 4.45Å; M176-T208 HydrophobicContact SD-CG2 3.81Å; I205-T208 HydrophobicContact CD1-CG2 3.73Å; I205-T208 HydrophobicContact CG1-CG2 4.35Å; I205-T208 WeakPolarHBondContact O-CB 3.31Å; I205-T208 WeakPolarHBondContact O-CG2 3.45Å; I205-T208 PolarHBondContact O-N 2.8Å; I205-T208 VanDerWaalsContact O-N 3.12Å; I205-T208 PolarHBondContact O-OG1 2.87Å; T208-P210 WeakPolarHBondContact O-CD 3.36Å
209T97.9Very high96.6Very high57 Ų5745 Ų4535%0.3523%0.228SC..  trans-120.580.7177.2-53.30000109.3P169 D172 Y211P169-T209 VanDerWaalsContact CD-O 3.28Å; P169-T209 WeakPolarHBondContact CD-O 3.32Å; D172-T209 PolarHBondContact OD2-N 2.93Å; T209-Y211 HydrophobicContact CG2-CE2 3.98Å; T209-Y211 WeakPolarHBondContact O-CD2 3.44Å; T209-Y211 VanDerWaalsContact O-CE2 3.22Å; T209-Y211 WeakPolarHBondContact O-CE2 3.47Å
210P98.5Very high96.9Very high0 Ų044 Ų440%022%0.221CC..  trans-69.9148.2-178.423-29.6000113.2I166 L167 F168 T208 S343 E344 L346 L349I166-P210 HydrophobicContact CG2-CB 3.73Å; L167-P210 CarbonylContact O-C 3.47Å; L167-P210 WeakPolarHBondContact O-CA 3.37Å; F168-P210 HydrophobicContact CD1-CB 3.88Å; F168-P210 HydrophobicContact CE1-CB 3.52Å; F168-P210 HydrophobicContact CE1-CG 4.17Å; F168-P210 HydrophobicContact CZ-CB 4.11Å; T208-P210 WeakPolarHBondContact O-CD 3.36Å; P210-S343 CarbonylContact O-C 3.01Å; P210-S343 WeakPolarHBondContact O-CA 3.45Å; P210-S343 WeakPolarHBondContact O-CB 3.49Å; P210-E344 VanDerWaalsContact CD-O 3.29Å; P210-E344 WeakPolarHBondContact CD-O 3.42Å; P210-E344 VanDerWaalsContact CG-O 3.3Å; P210-E344 WeakPolarHBondContact CG-O 3.47Å; P210-E344 PolarHBondContact O-N 3.3Å; P210-L346 HydrophobicContact CG-CB 4.39Å; P210-L349 HydrophobicContact CB-CD1 3.58Å; P210-L349 HydrophobicContact CG-CD1 3.55Å
211Y98.7Very high97.2Very high40 Ų4038.6 Ų38.616%0.15720%0.198CC..EExtended strand (participates in β ladder)trans-120.290.3175.4-70.6-103000108.9H16 L167 P169 T209 W227 L341 T342H16-Y211 AromaticContact CE1-CE1 3.61Å; L167-Y211 WeakPolarHBondContact CD1-O 3.41Å; L167-Y211 PolarHBondContact N-O 3.29Å; L167-Y211 PolarHBondContact O-N 2.83Å; P169-Y211 HydrophobicContact CG-CE2 4.26Å; T209-Y211 HydrophobicContact CG2-CE2 3.98Å; T209-Y211 WeakPolarHBondContact O-CD2 3.44Å; T209-Y211 VanDerWaalsContact O-CE2 3.22Å; T209-Y211 WeakPolarHBondContact O-CE2 3.47Å; Y211-W227 HydrophobicContact CD2-CH2 4.11Å; Y211-W227 AromaticContact CD2-CZ3 3.73Å; Y211-W227 HydrophobicContact CD2-CZ3 3.73Å; Y211-W227 HydrophobicContact CE2-CH2 4.11Å; Y211-W227 HydrophobicContact CE2-CZ3 4.16Å; Y211-W227 HydrophobicContact CG-CH2 4.47Å; Y211-W227 HydrophobicContact CG-CZ3 4.1Å; Y211-L341 HydrophobicContact CD1-CB 4.21Å; Y211-T342 WeakPolarHBondContact CA-O 3.29Å; Y211-T342 VanDerWaalsContact CD1-C 3.41Å
212P98.4Very high97.4Very high30 Ų3034.8 Ų34.820%0.19518%0.181CC..EExtended strand (participates in β ladder)trans-81.2147.7-176.933.5-36.5000112.6W165 E344 L349W165-P212 CarbonylContact O-C 3.27Å; W165-P212 WeakPolarHBondContact O-CA 3.28Å; P212-E344 HydrophobicContact CG-CB 3.88Å; P212-E344 HydrophobicContact CG-CG 3.61Å; P212-L349 HydrophobicContact CB-CD1 4.08Å; P212-L349 HydrophobicContact CB-CD2 3.9Å; P212-L349 HydrophobicContact CG-CD1 4.07Å; P212-L349 HydrophobicContact CG-CD2 3.77Å
213I98.5Very high97.6Very high29 Ų2934.2 Ų34.215%0.14918%0.179CC..EExtended strand (participates in β ladder)trans-150.4139.6166.5-172.163.9000110.3V19 W165 L167 L215 L221 L341V19-I213 HydrophobicContact CB-CG1 4.46Å; V19-I213 HydrophobicContact CG1-CD1 4.2Å; V19-I213 HydrophobicContact CG1-CG1 4.47Å; V19-I213 HydrophobicContact CG2-CG1 4.31Å; W165-I213 HydrophobicContact CB-CG2 3.71Å; W165-I213 HydrophobicContact CG-CG2 4.48Å; W165-I213 PolarHBondContact N-O 3.05Å; W165-I213 PolarHBondContact O-N 3.24Å; L167-I213 HydrophobicContact CD1-CG2 4.19Å; I213-L215 HydrophobicContact CG1-CD2 3.92Å; I213-L215 HydrophobicContact CG2-CD2 4.13Å; I213-L221 HydrophobicContact CG2-CD1 4.2Å; I213-L221 HydrophobicContact CG2-CD2 4.41Å; I213-L341 HydrophobicContact CB-CD2 3.93Å; I213-L341 HydrophobicContact CB-CG 4.25Å; I213-L341 HydrophobicContact CG2-CD2 3.76Å
214T98.5Very high97.7Very high46 Ų4631.2 Ų31.228%0.28216%0.16SC..EExtended strand (participates in β ladder)trans-99.8123.3164.6-59.20000108.5K21 K163 Y216K21-T214 PolarHBondContact NZ-O 3.16Å; K163-T214 WeakPolarHBondContact O-CA 3.47Å; T214-Y216 HydrophobicContact CG2-CD2 4.43Å; T214-Y216 HydrophobicContact CG2-CE1 4.35Å; T214-Y216 HydrophobicContact CG2-CE2 3.83Å
215L98.7Very high97.7Very high0 Ų029.9 Ų29.90%015%0.15CC..EExtended strand (participates in β ladder)trans-90.6131.4174.6-55-174.4000109.4V19 V156 Q158 S162 K163 W165 I213 D219 L221V19-L215 HydrophobicContact CG2-CD2 3.94Å; V156-L215 HydrophobicContact CG1-CD1 4.19Å; Q158-L215 HydrophobicContact CB-CB 3.75Å; Q158-L215 HydrophobicContact CG-CB 4.17Å; S162-L215 WeakPolarHBondContact CA-O 3.38Å; S162-L215 VanDerWaalsContact CB-O 3.26Å; S162-L215 WeakPolarHBondContact CB-O 3.2Å; K163-L215 PolarHBondContact N-O 3.45Å; K163-L215 VanDerWaalsContact N-O 3.12Å; K163-L215 PolarHBondContact O-N 2.81Å; W165-L215 HydrophobicContact CG-CD1 4.45Å; I213-L215 HydrophobicContact CG1-CD2 3.92Å; I213-L215 HydrophobicContact CG2-CD2 4.13Å; L215-D219 HydrophobicContact CB-CB 4.2Å; L215-D219 HydrophobicContact CD2-CB 4.17Å; L215-L221 HydrophobicContact CD1-CB 3.77Å; L215-L221 HydrophobicContact CD1-CD2 4Å; L215-L221 HydrophobicContact CD2-CB 4Å
216Y98.4Very high97.8Very high101 Ų10132.1 Ų32.140%0.39616%0.162SC..  trans-109165.6174.1-67-84.2000110.5Q158 T214 G218 D219Q158-Y216 WeakPolarHBondContact CB-O 3.35Å; T214-Y216 HydrophobicContact CG2-CD2 4.43Å; T214-Y216 HydrophobicContact CG2-CE1 4.35Å; T214-Y216 HydrophobicContact CG2-CE2 3.83Å; Y216-G218 PolarHBondContact O-N 3.02Å; Y216-D219 PolarHBondContact N-OD2 3.09Å; Y216-D219 VanDerWaalsContact O-CB 3.23Å; Y216-D219 WeakPolarHBondContact O-CB 3.31Å; Y216-D219 PolarHBondContact O-N 2.8Å
217P98.2Very high97.9Very high51 Ų5128.6 Ų28.633%0.33114%0.143SC..THydrogen-bonded Turntrans-50.1125.8178.8-30.338.6000113Q158 G161Q158-P217 CarbonylContact O-C 3.49Å; Q158-P217 WeakPolarHBondContact O-CA 3.21Å; G161-P217 WeakPolarHBondContact O-CD 3.16Å
218G97.9Very high98Very high0 Ų022.5 Ų22.50%012%0.116CC..THydrogen-bonded Turntrans88-7-176.100000115S22 G23 A24 Q158 Y216S22-G218 CarbonylContact C-O 3.5Å; S22-G218 VanDerWaalsContact CA-O 3.32Å; S22-G218 WeakPolarHBondContact CA-O 3.44Å; G23-G218 PolarHBondContact N-O 3.13Å; A24-G218 PolarHBondContact N-O 2.96Å; Q158-G218 PolarHBondContact O-N 2.83Å; Y216-G218 PolarHBondContact O-N 3.02Å
219D98.5Very high98.1Very high4 Ų422.3 Ų22.32%0.02112%0.115CC..  trans-71.6139.7173.6-71-10.3000111K21 S22 V157 Q158 L215 Y216K21-D219 VanDerWaalsContact CA-OD1 3.29Å; K21-D219 WeakPolarHBondContact CA-OD1 3.4Å; K21-D219 WeakPolarHBondContact CD-OD1 3.39Å; K21-D219 VanDerWaalsContact CD-OD2 3.26Å; K21-D219 WeakPolarHBondContact CD-OD2 3.16Å; K21-D219 IonicContact NZ-OD2 3.12Å; K21-D219 PolarHBondContact NZ-OD2 3.3Å; S22-D219 PolarHBondContact N-OD1 3.19Å; V157-D219 WeakPolarHBondContact CA-O 3.36Å; Q158-D219 PolarHBondContact N-O 3.36Å; L215-D219 HydrophobicContact CB-CB 4.2Å; L215-D219 HydrophobicContact CD2-CB 4.17Å; Y216-D219 PolarHBondContact N-OD2 3.09Å; Y216-D219 VanDerWaalsContact O-CB 3.23Å; Y216-D219 WeakPolarHBondContact O-CB 3.31Å; Y216-D219 PolarHBondContact O-N 2.8Å
220L97.4Very high98.1Very high0 Ų019.9 Ų19.90%010%0.099CC..EExtended strand (participates in β ladder)trans-114.9131.4175.6174.974.4000109.2V19 A20 L123 F124 V156 V157 I336 W338V19-L220 CarbonylContact C-O 3.5Å; V19-L220 WeakPolarHBondContact CA-O 3.39Å; V19-L220 WeakPolarHBondContact CG2-O 3.16Å; A20-L220 HydrophobicContact CB-CB 4.31Å; A20-L220 PolarHBondContact N-O 3.17Å; A20-L220 PolarHBondContact O-N 3.24Å; L123-L220 HydrophobicContact CD1-CD2 4.21Å; F124-L220 HydrophobicContact CE2-CD2 4.23Å; F124-L220 HydrophobicContact CZ-CD2 3.88Å; V156-L220 CarbonylContact O-C 3.58Å; V156-L220 VanDerWaalsContact O-CA 3.31Å; V156-L220 WeakPolarHBondContact O-CA 3.42Å; V157-L220 HydrophobicContact CG2-CD1 3.44Å; V157-L220 VanDerWaalsContact CG2-CD1 3.44Å; L220-I336 HydrophobicContact CD2-CD1 4.25Å; L220-I336 HydrophobicContact CD2-CG2 4.48Å; L220-W338 HydrophobicContact CD2-CH2 3.28Å; L220-W338 HydrophobicContact CD2-CZ2 3.63Å; L220-W338 HydrophobicContact CD2-CZ3 4.11Å; L220-W338 HydrophobicContact CG-CH2 3.56Å; L220-W338 HydrophobicContact CG-CZ2 4.41Å; L220-W338 HydrophobicContact CG-CZ3 4.09Å
221L98.4Very high98.1Very high0 Ų020.1 Ų20.10%010%0.101CC..EExtended strand (participates in β ladder)trans-118.9129.7178175.169.4000109.6V19 L155 V156 W165 I213 L215 V223 L341V19-L221 HydrophobicContact CB-CD1 4.49Å; L155-L221 WeakPolarHBondContact CA-O 3.1Å; V156-L221 HydrophobicContact CB-CB 4.23Å; V156-L221 PolarHBondContact N-O 3.26Å; V156-L221 PolarHBondContact O-N 2.95Å; W165-L221 HydrophobicContact CB-CD2 4.36Å; W165-L221 HydrophobicContact CD2-CD2 3.53Å; W165-L221 HydrophobicContact CE3-CD2 3.59Å; W165-L221 HydrophobicContact CG-CD2 3.88Å; W165-L221 HydrophobicContact CZ3-CD2 4.16Å; I213-L221 HydrophobicContact CG2-CD1 4.2Å; I213-L221 HydrophobicContact CG2-CD2 4.41Å; L215-L221 HydrophobicContact CD1-CB 3.77Å; L215-L221 HydrophobicContact CD1-CD2 4Å; L215-L221 HydrophobicContact CD2-CB 4Å; L221-V223 HydrophobicContact CD2-CG2 3.81Å; L221-V223 HydrophobicContact CG-CG2 3.87Å; L221-L341 HydrophobicContact CD1-CD1 4.15Å; L221-L341 HydrophobicContact CD1-CD2 4.36Å
222F97.7Very high98.1Very high0 Ų019.3 Ų19.30%010%0.098CC..EExtended strand (participates in β ladder)trans-98.4120.1168.2170.6-105.6000109.2L7 L8 F11 P17 Y18 V153 L155 P224 W338L7-F222 HydrophobicContact CD2-CE2 4.36Å; L8-F222 HydrophobicContact CD2-CE2 4.09Å; L8-F222 HydrophobicContact CD2-CZ 3.6Å; F11-F222 HydrophobicContact CD1-CD1 4.29Å; F11-F222 HydrophobicContact CD2-CD1 4.36Å; F11-F222 HydrophobicContact CD2-CE1 4.1Å; F11-F222 HydrophobicContact CD2-CZ 4.23Å; F11-F222 HydrophobicContact CE1-CB 4.03Å; F11-F222 AromaticContact CE1-CD1 3.89Å; F11-F222 HydrophobicContact CE1-CD1 3.89Å; F11-F222 AromaticContact CE1-CG 3.95Å; F11-F222 HydrophobicContact CE1-CG 3.95Å; F11-F222 AromaticContact CE2-CD1 3.99Å; F11-F222 HydrophobicContact CE2-CD1 3.99Å; F11-F222 AromaticContact CE2-CD2 3.85Å; F11-F222 HydrophobicContact CE2-CD2 3.85Å; F11-F222 HydrophobicContact CE2-CE1 4.01Å; F11-F222 AromaticContact CE2-CE2 3.89Å; F11-F222 HydrophobicContact CE2-CE2 3.89Å; F11-F222 AromaticContact CE2-CG 3.9Å; F11-F222 HydrophobicContact CE2-CG 3.9Å; F11-F222 AromaticContact CE2-CZ 3.98Å; F11-F222 HydrophobicContact CE2-CZ 3.98Å; F11-F222 HydrophobicContact CG-CD1 4.5Å; F11-F222 HydrophobicContact CG-CE1 4.41Å; F11-F222 HydrophobicContact CZ-CB 3.76Å; F11-F222 AromaticContact CZ-CD1 3.74Å; F11-F222 HydrophobicContact CZ-CD1 3.74Å; F11-F222 AromaticContact CZ-CD2 3.76Å; F11-F222 HydrophobicContact CZ-CD2 3.76Å; F11-F222 HydrophobicContact CZ-CE1 4.24Å; F11-F222 HydrophobicContact CZ-CE2 4.27Å; F11-F222 AromaticContact CZ-CG 3.46Å; F11-F222 HydrophobicContact CZ-CG 3.46Å; F11-F222 VanDerWaalsContact CZ-CG 3.46Å; P17-F222 WeakPolarHBondContact CA-O 3.43Å; Y18-F222 HydrophobicContact CD2-CD1 4.16Å; Y18-F222 PolarHBondContact N-O 3.12Å; Y18-F222 PolarHBondContact O-N 3.04Å; V153-F222 HydrophobicContact CB-CE2 3.8Å; V153-F222 HydrophobicContact CB-CZ 4.33Å; V153-F222 HydrophobicContact CG1-CE2 4.22Å; V153-F222 HydrophobicContact CG1-CZ 4.27Å; V153-F222 HydrophobicContact CG2-CE2 3.84Å; L155-F222 HydrophobicContact CD2-CB 4.26Å; L155-F222 HydrophobicContact CD2-CD2 3.92Å; F222-P224 HydrophobicContact CD1-CG 4.26Å; F222-P224 HydrophobicContact CE1-CB 4.22Å; F222-P224 HydrophobicContact CE1-CG 3.74Å; F222-P224 HydrophobicContact CZ-CB 4.39Å; F222-P224 HydrophobicContact CZ-CG 4.37Å; F222-W338 HydrophobicContact CB-CH2 3.97Å; F222-W338 HydrophobicContact CB-CZ3 3.84Å
223V98.4Very high98.1Very high5 Ų517.9 Ų17.93%0.039%0.089CC..EExtended strand (participates in β ladder)trans-110.1114175.7-172.40000108.5N154 W165 L167 L221 W227N154-V223 HydrophobicContact CB-CB 3.96Å; N154-V223 HydrophobicContact CB-CG2 4.44Å; N154-V223 PolarHBondContact N-O 2.95Å; N154-V223 PolarHBondContact O-N 3.49Å; W165-V223 HydrophobicContact CZ3-CG2 4.1Å; L167-V223 HydrophobicContact CD2-CB 4.36Å; L167-V223 HydrophobicContact CD2-CG1 3.73Å; L167-V223 HydrophobicContact CD2-CG2 3.94Å; L221-V223 HydrophobicContact CD2-CG2 3.81Å; L221-V223 HydrophobicContact CG-CG2 3.87Å; V223-W227 HydrophobicContact CG1-CB 4.05Å
224P97.2Very high97.9Very high7 Ų717.3 Ų17.35%0.0459%0.088CC..  trans-69.5162.2175.7-9.923.6000111.5H16 F222 W227H16-P224 WeakPolarHBondContact O-CG 3Å; F222-P224 HydrophobicContact CD1-CG 4.26Å; F222-P224 HydrophobicContact CE1-CB 4.22Å; F222-P224 HydrophobicContact CE1-CG 3.74Å; F222-P224 HydrophobicContact CZ-CB 4.39Å; F222-P224 HydrophobicContact CZ-CG 4.37Å; P224-W227 HydrophobicContact CG-CG 4.4Å; P224-W227 PolarHBondContact O-N 2.64Å
225R95.4Very high97.6Very high32 Ų3219.2 Ų19.212%0.12110%0.103CC..THydrogen-bonded Turntrans-52.2146176.1-173.1-170.2-71.4-103-8.5112T150 G152 W227 Q249 D253T150-R225 PolarHBondContact O-NH1 3.39Å; G152-R225 VanDerWaalsContact N-NH2 3.19Å; G152-R225 WeakPolarHBondContact O-CA 3.02Å; G152-R225 VanDerWaalsContact O-CB 3.29Å; G152-R225 WeakPolarHBondContact O-CB 3.24Å; R225-W227 PolarHBondContact O-N 3.21Å; R225-Q249 VanDerWaalsContact NE-OE1 3.12Å; R225-D253 IonicContact CZ-OD1 3.41Å; R225-D253 IonicContact NH1-OD1 3.97Å; R225-D253 PolarHBondContact NH1-OD1 2.82Å; R225-D253 VanDerWaalsContact NH2-CG 3.28Å; R225-D253 IonicContact NH2-OD1 2.8Å; R225-D253 PolarHBondContact NH2-OD1 3.12Å; R225-D253 IonicContact NH2-OD2 3.25Å; R225-D253 PolarHBondContact NH2-OD2 2.96Å
226N96.8Very high97.4Very high47 Ų4725.1 Ų25.125%0.25113%0.13SC..THydrogen-bonded Turntrans653.8171.6-67.4-43.8000114.8R148 D149 P170 W228R148-N226 PolarHBondContact NH1-OD1 3.5Å; D149-N226 PolarHBondContact O-N 2.72Å; P170-N226 HydrophobicContact CB-CB 4.23Å; P170-N226 HydrophobicContact CG-CB 3.94Å; N226-W228 PolarHBondContact O-N 3.45Å
227W98.5Very high97.2Very high13 Ų1324.6 Ų24.65%0.04913%0.128CC..  trans-70.9123.8171.9-81.571.5000109.4Q15 P17 L167 F168 P169 Y211 V223 P224 R225 H229Q15-W227 WeakPolarHBondContact O-CZ2 3.17Å; Q15-W227 PolarHBondContact O-NE1 3.43Å; P17-W227 HydrophobicContact CG-CD2 4.36Å; P17-W227 HydrophobicContact CG-CE3 4Å; P17-W227 HydrophobicContact CG-CH2 3.76Å; P17-W227 HydrophobicContact CG-CZ2 4.16Å; P17-W227 HydrophobicContact CG-CZ3 3.67Å; L167-W227 HydrophobicContact CB-CE3 3.9Å; L167-W227 HydrophobicContact CB-CZ3 4.36Å; F168-W227 VanDerWaalsContact C-CE3 3.43Å; P169-W227 HydrophobicContact CB-CE3 4.45Å; P169-W227 HydrophobicContact CB-CH2 3.76Å; P169-W227 HydrophobicContact CB-CZ2 4.01Å; P169-W227 HydrophobicContact CB-CZ3 4Å; Y211-W227 HydrophobicContact CD2-CH2 4.11Å; Y211-W227 AromaticContact CD2-CZ3 3.73Å; Y211-W227 HydrophobicContact CD2-CZ3 3.73Å; Y211-W227 HydrophobicContact CE2-CH2 4.11Å; Y211-W227 HydrophobicContact CE2-CZ3 4.16Å; Y211-W227 HydrophobicContact CG-CH2 4.47Å; Y211-W227 HydrophobicContact CG-CZ3 4.1Å; V223-W227 HydrophobicContact CG1-CB 4.05Å; P224-W227 HydrophobicContact CG-CG 4.4Å; P224-W227 PolarHBondContact O-N 2.64Å; R225-W227 PolarHBondContact O-N 3.21Å; W227-H229 PolarHBondContact O-ND1 3.13Å; W227-H229 VanDerWaalsContact O-ND1 3.14Å
228W98.8Very high97.1Very high0 Ų026 Ų260%013%0.133CC..EExtended strand (participates in β ladder)trans-66.4145.4169.4-60.386.1000108.9H147 R148 L167 F168 S173 M176 E178 V188 N226H147-W228 CarbonylContact O-C 3.13Å; H147-W228 VanDerWaalsContact O-CA 3.24Å; H147-W228 WeakPolarHBondContact O-CA 3.19Å; R148-W228 HydrophobicContact CB-CD2 4.01Å; R148-W228 HydrophobicContact CB-CE3 4.23Å; R148-W228 HydrophobicContact CB-CG 4.2Å; R148-W228 HydrophobicContact CG-CD2 4.01Å; R148-W228 HydrophobicContact CG-CE3 4.15Å; R148-W228 HydrophobicContact CG-CH2 4.12Å; R148-W228 HydrophobicContact CG-CZ2 4.02Å; R148-W228 HydrophobicContact CG-CZ3 4.2Å; L167-W228 CarbonylContact C-O 3.46Å; L167-W228 WeakPolarHBondContact CA-O 3.41Å; F168-W228 HydrophobicContact CB-CB 3.95Å; F168-W228 HydrophobicContact CD2-CB 4.05Å; F168-W228 HydrophobicContact CG-CB 4.43Å; F168-W228 PolarHBondContact N-O 2.85Å; F168-W228 PolarHBondContact O-N 3.37Å; S173-W228 PolarHBondContact OG-NE1 2.85Å; M176-W228 HydrophobicContact CB-CD2 4Å; M176-W228 HydrophobicContact CB-CE3 4.14Å; M176-W228 HydrophobicContact CB-CH2 4.02Å; M176-W228 HydrophobicContact CB-CZ2 3.83Å; M176-W228 HydrophobicContact CB-CZ3 4.16Å; M176-W228 HydrophobicContact CE-CB 3.84Å; M176-W228 HydrophobicContact CE-CD2 3.95Å; M176-W228 HydrophobicContact CE-CE3 3.96Å; M176-W228 HydrophobicContact CE-CG 3.92Å; M176-W228 HydrophobicContact CG-CD2 3.74Å; M176-W228 HydrophobicContact CG-CE3 4.29Å; M176-W228 HydrophobicContact CG-CG 3.94Å; M176-W228 HydrophobicContact CG-CZ2 4.23Å; E178-W228 HydrophobicContact CB-CH2 3.51Å; E178-W228 HydrophobicContact CB-CZ2 4.05Å; V188-W228 HydrophobicContact CB-CH2 4.34Å; V188-W228 HydrophobicContact CG1-CH2 3.79Å; V188-W228 HydrophobicContact CG1-CZ3 4.45Å; V188-W228 WeakPolarHBondContact O-CZ3 3.19Å; N226-W228 PolarHBondContact O-N 3.45Å
229H98.8Very high97Very high7 Ų727.4 Ų27.43%0.03214%0.139CC..EExtended strand (participates in β ladder)trans-152.1139.2176.456.4-74.1000111.8C146 H147 D149 W165 I166 L167 W227C146-H229 WeakPolarHBondContact CA-O 3.27Å; H147-H229 AromaticContact CD2-CE1 3.7Å; H147-H229 AromaticContact CD2-NE2 3.87Å; H147-H229 AromaticContact CE1-NE2 3.45Å; H147-H229 PolarHBondContact CE1-NE2 2.81Å; H147-H229 PolarHBondContact N-O 3.44Å; H147-H229 AromaticContact NE2-CE1 3.51Å; H147-H229 AromaticContact NE2-NE2 3.22Å; H147-H229 PolarHBondContact NE2-NE2 3.28Å; H147-H229 PolarHBondContact O-N 3.49Å; H147-H229 PolarHBondContact O-ND1 2.79Å; D149-H229 IonicContact OD2-CE1 2.79Å; D149-H229 PolarHBondContact OD2-CE1 3.33Å; D149-H229 IonicContact OD2-NE2 2.91Å; W165-H229 HydrophobicContact CE3-CB 4.28Å; W165-H229 HydrophobicContact CZ3-CB 4.35Å; W165-H229 AromaticContact CZ3-CD2 3.61Å; I166-H229 CarbonylContact O-C 3.51Å; I166-H229 VanDerWaalsContact O-CA 3.29Å; I166-H229 WeakPolarHBondContact O-CA 3.11Å; L167-H229 HydrophobicContact CD2-CB 4.35Å; L167-H229 HydrophobicContact CG-CB 4.15Å; W227-H229 PolarHBondContact O-ND1 3.13Å; W227-H229 VanDerWaalsContact O-ND1 3.14Å
230F98.6Very high97Very high5 Ų527.2 Ų27.22%0.02214%0.138CC..EExtended strand (participates in β ladder)trans-112.4133.6167.4171.3-107000108.8H143 T144 C146 W165 I166 F194 T195 E232 F350H143-F230 HydrophobicContact CB-CE2 4.03Å; H143-F230 HydrophobicContact CB-CZ 4.15Å; T144-F230 VanDerWaalsContact O-CD2 3.29Å; T144-F230 WeakPolarHBondContact O-CD2 3.24Å; T144-F230 WeakPolarHBondContact O-CE2 3.46Å; C146-F230 HydrophobicContact CB-CB 4.04Å; W165-F230 WeakPolarHBondContact CA-O 3.25Å; I166-F230 HydrophobicContact CD1-CD1 4.25Å; I166-F230 PolarHBondContact N-O 3.1Å; I166-F230 PolarHBondContact O-N 3.33Å; F194-F230 HydrophobicContact CB-CB 4.14Å; F194-F230 HydrophobicContact CB-CD1 3.96Å; F194-F230 HydrophobicContact CB-CD2 3.54Å; F194-F230 HydrophobicContact CB-CE1 4.23Å; F194-F230 HydrophobicContact CB-CE2 3.85Å; F194-F230 HydrophobicContact CB-CG 3.59Å; F194-F230 HydrophobicContact CB-CZ 4.18Å; F194-F230 HydrophobicContact CG-CB 4.31Å; F194-F230 HydrophobicContact CG-CD2 4.46Å; F194-F230 HydrophobicContact CG-CG 4.29Å; T195-F230 HydrophobicContact CG2-CE2 4.23Å; T195-F230 HydrophobicContact CG2-CZ 3.96Å; F230-E232 HydrophobicContact CE1-CB 3.96Å; F230-E232 HydrophobicContact CZ-CB 4.06Å; F230-F350 HydrophobicContact CD1-CE1 4.21Å; F230-F350 HydrophobicContact CE1-CE1 4.32Å
231V98.5Very high97.1Very high5 Ų527.2 Ų27.23%0.0314%0.138CC..EExtended strand (participates in β ladder)trans-127.8126.5-176.5-168.80000110.1H143 T144 K163 R164 W165H143-V231 CarbonylContact C-O 3.59Å; H143-V231 WeakPolarHBondContact CA-O 3.38Å; H143-V231 WeakPolarHBondContact CB-O 3.47Å; T144-V231 PolarHBondContact N-O 3.41Å; T144-V231 PolarHBondContact OG1-N 2.97Å; K163-V231 HydrophobicContact CB-CG1 4.28Å; K163-V231 HydrophobicContact CD-CG1 4.1Å; R164-V231 WeakPolarHBondContact O-CA 3.47Å; W165-V231 HydrophobicContact CD2-CB 4.48Å; W165-V231 HydrophobicContact CD2-CG1 4.12Å; W165-V231 HydrophobicContact CD2-CG2 3.6Å; W165-V231 HydrophobicContact CE3-CG2 3.55Å; W165-V231 HydrophobicContact CG-CG1 4.32Å; W165-V231 HydrophobicContact CG-CG2 4.29Å; W165-V231 HydrophobicContact CH2-CG2 3.71Å; W165-V231 HydrophobicContact CZ2-CG1 3.97Å; W165-V231 HydrophobicContact CZ2-CG2 3.77Å; W165-V231 HydrophobicContact CZ3-CG2 3.61Å
232E98Very high97.1Very high24 Ų2427.4 Ų27.411%0.11214%0.14CC..EExtended strand (participates in β ladder)trans-128134.4177-170.8-168.6-128.300110.5K141 H143 K163 R164 F230K141-E232 HydrophobicContact CD-CG 4.29Å; K141-E232 VanDerWaalsContact CD-OE1 3.31Å; K141-E232 WeakPolarHBondContact CD-OE1 3.44Å; K141-E232 IonicContact NZ-OE1 2.91Å; K141-E232 PolarHBondContact NZ-OE1 3.13Å; K141-E232 IonicContact NZ-OE2 3.99Å; K141-E232 PolarHBondContact NZ-OE2 2.99Å; H143-E232 HydrophobicContact CB-CB 4.25Å; H143-E232 HydrophobicContact CB-CG 4.25Å; K163-E232 CarbonylContact C-O 3.46Å; K163-E232 WeakPolarHBondContact CA-O 3.42Å; R164-E232 PolarHBondContact N-O 3.34Å; R164-E232 PolarHBondContact O-N 2.72Å; F230-E232 HydrophobicContact CE1-CB 3.96Å; F230-E232 HydrophobicContact CZ-CB 4.06Å
233S98.2Very high97.1Very high0 Ų027.4 Ų27.40%014%0.14CC..EExtended strand (participates in β ladder)trans-68.9128.3169.1-64.80000110.6S139 K141 A142 T240S139-S233 WeakPolarHBondContact O-CB 3.26Å; K141-S233 WeakPolarHBondContact CA-O 3.47Å; K141-S233 PolarHBondContact N-O 3.43Å; A142-S233 WeakPolarHBondContact O-CB 3.17Å; A142-S233 PolarHBondContact O-N 2.84Å; A142-S233 PolarHBondContact O-OG 2.74Å; S233-T240 PolarHBondContact OG-OG1 2.8Å
234S94.3Very high97.1Very high17 Ų1727.4 Ų27.412%0.11914%0.139CC..  trans-58.7151.9-178.2179.40000112.9S140 S162 E236S140-S234 PolarHBondContact OG-O 2.83Å; S162-S234 VanDerWaalsContact O-CB 3.25Å; S162-S234 WeakPolarHBondContact O-CB 2.96Å; S162-S234 PolarHBondContact O-N 2.88Å; S162-S234 WeakPolarHBondContact OG-CB 3.25Å; S162-S234 PolarHBondContact OG-OG 2.63Å; S234-E236 VanDerWaalsContact C-N 3.27Å; S234-E236 WeakPolarHBondContact OG-CB 3.42Å; S234-E236 WeakPolarHBondContact OG-CG 3.27Å; S234-E236 PolarHBondContact OG-N 2.93Å; S234-E236 VanDerWaalsContact OG-N 3.12Å
235S92.4Very high97.1Very high85 Ų8527.4 Ų27.459%0.59414%0.139SC*.THydrogen-bonded Turntrans-76-12.517151.90000114.2S140 Y237S140-S235 WeakPolarHBondContact OG-CA 3.31Å; S235-Y237 PolarHBondContact O-N 2.84Å
236E94.1Very high97.1Very high125 Ų12528.3 Ų28.358%0.58414%0.142SC*.THydrogen-bonded Turntrans-70.7-19.4-179.4-65.7170.7171.100113.2S162 S234S162-E236 PolarHBondContact OG-OE2 3.23Å; S234-E236 VanDerWaalsContact C-N 3.27Å; S234-E236 WeakPolarHBondContact OG-CB 3.42Å; S234-E236 WeakPolarHBondContact OG-CG 3.27Å; S234-E236 PolarHBondContact OG-N 2.93Å; S234-E236 VanDerWaalsContact OG-N 3.12Å
237Y95.1Very high97Very high89 Ų8926.5 Ų26.535%0.34913%0.133SC..SBendtrans-127.9143.2-176.6-60.8-87.2000110.6S140 G161 S162 S235 F239S140-Y237 VanDerWaalsContact CB-O 3.26Å; S140-Y237 WeakPolarHBondContact CB-O 3.39Å; G161-Y237 VanDerWaalsContact CA-CG 3.49Å; S162-Y237 WeakPolarHBondContact OG-CD2 3.48Å; S162-Y237 VanDerWaalsContact OG-CE2 3.31Å; S162-Y237 WeakPolarHBondContact OG-CE2 3.48Å; S235-Y237 PolarHBondContact O-N 2.84Å; Y237-F239 VanDerWaalsContact C-N 3.3Å; Y237-F239 WeakPolarHBondContact CB-O 3.44Å; Y237-F239 PolarHBondContact O-N 2.86Å
238D95.3Very high96.7Very high82 Ų8229.6 Ų29.644%0.43915%0.15SC..SBendtrans-67.6-31.4177-81.1-38.8000113.2I78 K93 S139 S140I78-D238 HydrophobicContact CG2-CB 3.67Å; K93-D238 VanDerWaalsContact NZ-CG 3.32Å; K93-D238 IonicContact NZ-OD1 3.73Å; K93-D238 PolarHBondContact NZ-OD1 2.97Å; K93-D238 IonicContact NZ-OD2 3.89Å; S139-D238 CarbonylContact C-O 3.54Å; S139-D238 WeakPolarHBondContact CA-O 3.36Å; S140-D238 PolarHBondContact N-O 3.35Å
239F97.6Very high96.3Very high28 Ų2830.7 Ų30.712%0.12316%0.155CC..EExtended strand (participates in β ladder)trans-142.3160.1172.279.3-79000111.6L35 F74 I78 L137 G138 K160 Y237L35-F239 HydrophobicContact CD1-CB 4.46Å; L35-F239 HydrophobicContact CD1-CD1 3.65Å; L35-F239 HydrophobicContact CD1-CD2 4.45Å; L35-F239 HydrophobicContact CD1-CE1 3.93Å; L35-F239 HydrophobicContact CD1-CG 3.94Å; L35-F239 HydrophobicContact CD1-CZ 4.42Å; L35-F239 HydrophobicContact CD2-CD2 4.08Å; L35-F239 HydrophobicContact CD2-CE2 4.14Å; L35-F239 HydrophobicContact CD2-CG 4.35Å; L35-F239 HydrophobicContact CD2-CZ 4.48Å; L35-F239 HydrophobicContact CG-CD1 3.89Å; L35-F239 HydrophobicContact CG-CD2 4.06Å; L35-F239 HydrophobicContact CG-CE1 3.75Å; L35-F239 HydrophobicContact CG-CE2 3.91Å; L35-F239 HydrophobicContact CG-CG 4.04Å; L35-F239 HydrophobicContact CG-CZ 3.75Å; F74-F239 HydrophobicContact CE1-CB 4.22Å; F74-F239 HydrophobicContact CZ-CB 4.47Å; I78-F239 HydrophobicContact CD1-CB 3.7Å; L137-F239 HydrophobicContact CD1-CD2 3.71Å; L137-F239 HydrophobicContact CD1-CE2 4.23Å; G138-F239 CarbonylContact O-C 3.57Å; G138-F239 WeakPolarHBondContact O-CA 3.26Å; K160-F239 HydrophobicContact CB-CE2 4.19Å; K160-F239 HydrophobicContact CD-CZ 4.48Å; K160-F239 HydrophobicContact CG-CE1 4.44Å; K160-F239 HydrophobicContact CG-CE2 3.65Å; K160-F239 HydrophobicContact CG-CZ 3.54Å; Y237-F239 VanDerWaalsContact C-N 3.3Å; Y237-F239 WeakPolarHBondContact CB-O 3.44Å; Y237-F239 PolarHBondContact O-N 2.86Å
240T98.3Very high95.8Very high0 Ų033 Ų330%017%0.171CC..EExtended strand (participates in β ladder)trans-130147.417474.50000109.7L137 G138 K160 S162 K163 S233L137-T240 WeakPolarHBondContact CA-O 3.45Å; G138-T240 PolarHBondContact N-O 3.2Å; G138-T240 PolarHBondContact O-N 3.1Å; K160-T240 CarbonylContact O-C 3.56Å; K160-T240 WeakPolarHBondContact O-CA 3.16Å; S162-T240 VanDerWaalsContact O-CG2 3.27Å; S162-T240 WeakPolarHBondContact O-CG2 3.29Å; K163-T240 WeakPolarHBondContact CE-OG1 3.34Å; K163-T240 HydrophobicContact CG-CG2 4.44Å; S233-T240 PolarHBondContact OG-OG1 2.8Å
241C98.5Very high95.3Very high0 Ų036.8 Ų36.80%020%0.198CC..EExtended strand (participates in β ladder)trans-133.2130.9175.3-171.90000109.2F135 W136 L137 Q158 I159 K160F135-C241 WeakPolarHBondContact CE2-SG 3.31Å; W136-C241 WeakPolarHBondContact O-CA 3.36Å; L137-C241 HydrophobicContact CD1-CB 4.09Å; Q158-C241 PolarHBondContact NE2-O 3.17Å; I159-C241 WeakPolarHBondContact CA-O 3.41Å; I159-C241 WeakPolarHBondContact CB-O 3.32Å; I159-C241 PolarHBondContact N-O 3.45Å; K160-C241 HydrophobicContact CB-CB 3.87Å; K160-C241 PolarHBondContact N-O 2.75Å; K160-C241 PolarHBondContact O-N 2.99Å
242S98.7Very high94.9Very high4 Ų440.3 Ų40.33%0.02822%0.216CC..EExtended strand (participates in β ladder)trans-139.7161173.464.30000110.4W136 V157 K163W136-S242 PolarHBondContact N-O 3.41Å; W136-S242 PolarHBondContact O-N 3.25Å; V157-S242 VanDerWaalsContact O-CA 3.3Å; V157-S242 WeakPolarHBondContact O-CA 3.41Å; V157-S242 VanDerWaalsContact O-CB 3.32Å; V157-S242 WeakPolarHBondContact O-CB 3.28Å; K163-S242 PolarHBondContact NZ-OG 3.31Å
243V98.6Very high94.7Very high0 Ų039.2 Ų39.20%021%0.211CC..EExtended strand (participates in β ladder)trans-124.8153.5167.4-62.60000109.1W27 W33 M105 L118 F120 T134 F135 V157 I159W27-V243 HydrophobicContact CZ3-CG2 4.34Å; W33-V243 HydrophobicContact CH2-CG1 3.97Å; W33-V243 HydrophobicContact CZ3-CG1 3.82Å; M105-V243 HydrophobicContact SD-CG1 4.13Å; L118-V243 HydrophobicContact CD1-CG1 4.21Å; L118-V243 HydrophobicContact CD1-CG2 4.34Å; L118-V243 HydrophobicContact CD2-CG1 4.31Å; L118-V243 HydrophobicContact CD2-CG2 4.16Å; F120-V243 HydrophobicContact CZ-CG2 4.37Å; T134-V243 CarbonylContact O-C 3.56Å; T134-V243 WeakPolarHBondContact O-CA 3.48Å; T134-V243 WeakPolarHBondContact O-CB 3.21Å; F135-V243 HydrophobicContact CD2-CG1 4.48Å; V157-V243 HydrophobicContact CB-CG2 3.95Å; V157-V243 PolarHBondContact N-O 2.76Å; V157-V243 PolarHBondContact O-N 2.87Å; I159-V243 HydrophobicContact CD1-CG2 4.26Å; I159-V243 HydrophobicContact CG1-CG1 4.45Å; I159-V243 HydrophobicContact CG1-CG2 4.27Å
244N98.1Very high94.4Very high5 Ų540.9 Ų40.93%0.02722%0.22CC..EExtended strand (participates in β ladder)trans-137.4160165.677.7-84.1000112.4P133 T134 W136 N154 L155 V156 W246P133-N244 CarbonylContact C-O 3.57Å; P133-N244 VanDerWaalsContact CA-O 3.28Å; P133-N244 WeakPolarHBondContact CA-O 3.41Å; T134-N244 PolarHBondContact N-O 2.94Å; T134-N244 PolarHBondContact O-N 2.81Å; T134-N244 PolarHBondContact OG1-OD1 3.33Å; W136-N244 PolarHBondContact NE1-OD1 2.82Å; N154-N244 PolarHBondContact ND2-ND2 2.79Å; N154-N244 VanDerWaalsContact OD1-CB 3.3Å; N154-N244 WeakPolarHBondContact OD1-CB 3.29Å; N154-N244 PolarHBondContact OD1-ND2 3.23Å; L155-N244 CarbonylContact O-C 3.45Å; L155-N244 WeakPolarHBondContact O-CA 3.43Å; L155-N244 VanDerWaalsContact O-CB 3.31Å; L155-N244 WeakPolarHBondContact O-CB 3.31Å; V156-N244 HydrophobicContact CB-CB 4.29Å; V156-N244 HydrophobicContact CG2-CB 3.83Å; N244-W246 PolarHBondContact ND2-NE1 3.29Å
245L96.8Very high94.3Very high7 Ų744.5 Ų44.54%0.03723%0.234CC..EExtended strand (participates in β ladder)trans-131.3122.2178.6-179.266000108.9F120 L127 I131 N154 L155 I247F120-L245 HydrophobicContact CD1-CB 4.49Å; F120-L245 HydrophobicContact CD1-CD2 3.81Å; F120-L245 HydrophobicContact CE1-CB 3.73Å; F120-L245 HydrophobicContact CE1-CD2 3.89Å; F120-L245 HydrophobicContact CE1-CG 4.48Å; F120-L245 HydrophobicContact CG-CD2 4.24Å; F120-L245 HydrophobicContact CZ-CB 3.77Å; F120-L245 HydrophobicContact CZ-CD2 4.38Å; L127-L245 HydrophobicContact CD1-CD2 3.73Å; I131-L245 HydrophobicContact CB-CD1 4.08Å; I131-L245 HydrophobicContact CB-CD2 4.45Å; I131-L245 HydrophobicContact CG2-CD1 4.45Å; I131-L245 HydrophobicContact CG2-CD2 4.07Å; N154-L245 PolarHBondContact OD1-O 2.84Å; L155-L245 PolarHBondContact N-O 3.42Å; L155-L245 PolarHBondContact O-N 3.37Å; L245-I247 HydrophobicContact CD2-CD1 3.89Å; L245-I247 HydrophobicContact CG-CD1 3.97Å
246W95.6Very high94.4Very high51 Ų5141.8 Ų41.819%0.19321%0.213CC..EExtended strand (participates in β ladder)trans-81.6134.9171.6-72.2113.2000110.7Y102 D149 Y151 N154 N244Y102-W246 AromaticContact CE2-NE1 3.57Å; Y102-W246 AromaticContact CZ-NE1 3.72Å; Y102-W246 PolarHBondContact OH-NE1 3.42Å; D149-W246 HydrophobicContact CB-CH2 3.48Å; D149-W246 VanDerWaalsContact CB-CH2 3.48Å; D149-W246 HydrophobicContact CB-CZ2 4.06Å; D149-W246 HydrophobicContact CB-CZ3 4.16Å; D149-W246 WeakPolarHBondContact OD2-CH2 3.25Å; D149-W246 WeakPolarHBondContact OD2-CZ2 3.38Å; Y151-W246 WeakPolarHBondContact O-CZ3 3.43Å; N154-W246 HydrophobicContact CB-CD2 4.35Å; N154-W246 HydrophobicContact CB-CE3 3.86Å; N154-W246 HydrophobicContact CB-CH2 3.61Å; N154-W246 HydrophobicContact CB-CZ2 4.17Å; N154-W246 HydrophobicContact CB-CZ3 3.48Å; N154-W246 VanDerWaalsContact CB-CZ3 3.48Å; N154-W246 WeakPolarHBondContact ND2-CH2 3.35Å; N154-W246 VanDerWaalsContact ND2-CZ2 3.26Å; N154-W246 WeakPolarHBondContact ND2-CZ2 3.44Å; N244-W246 PolarHBondContact ND2-NE1 3.29Å
247I94.3Very high94.5Very high10 Ų1037.9 Ų37.95%0.05119%0.194CC..EExtended strand (participates in β ladder)trans-116106.4173.3-51.7-62.5000108.1T3 A4 L7 L127 G152 V153 L155 L245T3-I247 HydrophobicContact CG2-CG2 4.04Å; A4-I247 HydrophobicContact CB-CG2 4.02Å; L7-I247 HydrophobicContact CD2-CB 4.26Å; L7-I247 HydrophobicContact CD2-CG1 3.88Å; L7-I247 HydrophobicContact CD2-CG2 4.35Å; L127-I247 HydrophobicContact CD2-CD1 3.56Å; G152-I247 CarbonylContact C-O 3.58Å; G152-I247 WeakPolarHBondContact CA-O 3.37Å; V153-I247 HydrophobicContact CG2-CB 3.85Å; V153-I247 PolarHBondContact N-O 2.85Å; V153-I247 PolarHBondContact O-N 2.91Å; L155-I247 HydrophobicContact CD1-CD1 4.46Å; L155-I247 HydrophobicContact CD1-CG1 4.05Å; L245-I247 HydrophobicContact CD2-CD1 3.89Å; L245-I247 HydrophobicContact CG-CD1 3.97Å
248D91.9Very high94.4Very high77 Ų7733.7 Ų33.741%0.41218%0.177SC..  trans-62.2148.2177.9-74.215.6000111.7A4 R257A4-D248 WeakPolarHBondContact CB-O 3.41Å; D248-R257 IonicContact OD2-NH2 2.72Å; D248-R257 PolarHBondContact OD2-NH2 3.21Å
249Q91.6Very high94.5Very high23 Ų2331.8 Ų31.811%0.10716%0.164CC..  trans-121.883.5169.9-54.3176.5-8900108.1A4 R225 S251 L252 D253A4-Q249 HydrophobicContact CB-CB 4.4Å; A4-Q249 HydrophobicContact CB-CG 3.66Å; R225-Q249 VanDerWaalsContact NE-OE1 3.12Å; Q249-S251 VanDerWaalsContact C-N 3.3Å; Q249-S251 PolarHBondContact O-N 2.91Å; Q249-S251 VanDerWaalsContact O-N 3.08Å; Q249-L252 HydrophobicContact CB-CB 4.34Å; Q249-L252 HydrophobicContact CB-CD1 4.44Å; Q249-L252 PolarHBondContact O-N 2.85Å; Q249-D253 PolarHBondContact N-OD2 3.28Å; Q249-D253 WeakPolarHBondContact O-CB 3.45Å; Q249-D253 PolarHBondContact O-N 3.12Å
250P87.9Confident94.5Very high55 Ų5530.8 Ų30.836%0.35716%0.16SC..Hα-helixtrans-53.5-39.1-165-29.436.8000115.1D2 L252 N254D2-P250 WeakPolarHBondContact OD2-CD 3.25Å; P250-L252 VanDerWaalsContact C-N 3.32Å; P250-L252 PolarHBondContact O-N 3.41Å; P250-N254 VanDerWaalsContact O-CB 3.27Å; P250-N254 WeakPolarHBondContact O-CB 3.46Å; P250-N254 PolarHBondContact O-N 2.95Å; P250-N254 PolarHBondContact O-ND2 3.47Å
251S86.8Confident94.4Very high85 Ų8530.8 Ų30.859%0.59416%0.16SC*.Hα-helixtrans-64.4-33.7179.756.70000113.4Q249Q249-S251 VanDerWaalsContact C-N 3.3Å; Q249-S251 PolarHBondContact O-N 2.91Å; Q249-S251 VanDerWaalsContact O-N 3.08Å
252L90.7Very high94.3Very high80 Ų8031.5 Ų31.542%0.41916%0.163SC..Hα-helixtrans-87.6-45.4176.2-65.9174.5000110.7Q249 P250 N254 K255 V256Q249-L252 HydrophobicContact CB-CB 4.34Å; Q249-L252 HydrophobicContact CB-CD1 4.44Å; Q249-L252 PolarHBondContact O-N 2.85Å; P250-L252 VanDerWaalsContact C-N 3.32Å; P250-L252 PolarHBondContact O-N 3.41Å; L252-N254 VanDerWaalsContact C-N 3.3Å; L252-N254 PolarHBondContact O-N 3.11Å; L252-K255 WeakPolarHBondContact O-CB 3.35Å; L252-K255 PolarHBondContact O-N 2.77Å; L252-K255 VanDerWaalsContact O-N 3.07Å; L252-V256 WeakPolarHBondContact O-CG2 3.43Å; L252-V256 PolarHBondContact O-N 2.67Å
253D94Very high94.3Very high0 Ų031.5 Ų31.50%016%0.163CC..Hα-helixtrans-61.7-35.8-177.9-73.2-31.3000112.7Y151 G152 R225 Q249 K255 V256 R257Y151-D253 WeakPolarHBondContact CA-OD1 3.36Å; Y151-D253 HydrophobicContact CD1-CB 4.45Å; G152-D253 PolarHBondContact N-OD1 2.93Å; G152-D253 PolarHBondContact N-OD2 2.79Å; R225-D253 IonicContact CZ-OD1 3.41Å; R225-D253 IonicContact NH1-OD1 3.97Å; R225-D253 PolarHBondContact NH1-OD1 2.82Å; R225-D253 VanDerWaalsContact NH2-CG 3.28Å; R225-D253 IonicContact NH2-OD1 2.8Å; R225-D253 PolarHBondContact NH2-OD1 3.12Å; R225-D253 IonicContact NH2-OD2 3.25Å; R225-D253 PolarHBondContact NH2-OD2 2.96Å; Q249-D253 PolarHBondContact N-OD2 3.28Å; Q249-D253 WeakPolarHBondContact O-CB 3.45Å; Q249-D253 PolarHBondContact O-N 3.12Å; D253-K255 VanDerWaalsContact C-N 3.3Å; D253-K255 PolarHBondContact O-N 3.28Å; D253-V256 CarbonylContact O-C 3.56Å; D253-V256 PolarHBondContact O-N 2.64Å; D253-R257 WeakPolarHBondContact O-CB 3.3Å; D253-R257 VanDerWaalsContact O-CG 3.26Å; D253-R257 WeakPolarHBondContact O-CG 3.17Å; D253-R257 PolarHBondContact O-N 3.17Å
254N91.4Very high94.2Very high36 Ų3632 Ų3219%0.19317%0.165CC..Hα-helixtrans-66.4-32.7176.4-70.2-10000112.6P250 L252 R257 L258 N311P250-N254 VanDerWaalsContact O-CB 3.27Å; P250-N254 WeakPolarHBondContact O-CB 3.46Å; P250-N254 PolarHBondContact O-N 2.95Å; P250-N254 PolarHBondContact O-ND2 3.47Å; L252-N254 VanDerWaalsContact C-N 3.3Å; L252-N254 PolarHBondContact O-N 3.11Å; N254-R257 PolarHBondContact OD1-NH1 3.26Å; N254-L258 PolarHBondContact O-N 2.8Å; N254-N311 PolarHBondContact O-ND2 2.78Å; N254-N311 VanDerWaalsContact O-ND2 3.1Å
255K91.9Very high94.1Very high92 Ų9232.7 Ų32.740%0.417%0.169SC..Hα-helixtrans-70.3-37.1172.8-64.9-178.3-179-178.20111.1L252 D253 L258 R259L252-K255 WeakPolarHBondContact O-CB 3.35Å; L252-K255 PolarHBondContact O-N 2.77Å; L252-K255 VanDerWaalsContact O-N 3.07Å; D253-K255 VanDerWaalsContact C-N 3.3Å; D253-K255 PolarHBondContact O-N 3.28Å; K255-L258 WeakPolarHBondContact O-CB 3.12Å; K255-R259 WeakPolarHBondContact O-CD 3.22Å; K255-R259 PolarHBondContact O-NH1 3.07Å
256V94.9Very high94.1Very high28 Ų2834 Ų3417%0.1718%0.177CC..Hα-helixtrans-71.1-42176.9-178.30000111.3Y151 L252 D253 L258 R259 E260Y151-V256 HydrophobicContact CD1-CB 4.04Å; Y151-V256 HydrophobicContact CD1-CG1 3.72Å; Y151-V256 HydrophobicContact CE1-CB 3.83Å; Y151-V256 HydrophobicContact CE1-CG1 3.47Å; Y151-V256 VanDerWaalsContact CE1-CG1 3.47Å; L252-V256 WeakPolarHBondContact O-CG2 3.43Å; L252-V256 PolarHBondContact O-N 2.67Å; D253-V256 CarbonylContact O-C 3.56Å; D253-V256 PolarHBondContact O-N 2.64Å; V256-L258 PolarHBondContact O-N 3.44Å; V256-L258 VanDerWaalsContact O-N 3.17Å; V256-R259 CarbonylContact O-C 3.6Å; V256-R259 WeakPolarHBondContact O-CA 3.39Å; V256-R259 WeakPolarHBondContact O-CB 3.42Å; V256-R259 PolarHBondContact O-N 2.86Å; V256-E260 HydrophobicContact CG1-CG 4.09Å; V256-E260 WeakPolarHBondContact O-CG 3.36Å; V256-E260 PolarHBondContact O-N 3.19Å
257R95.6Very high94Very high44 Ų4431.6 Ų31.617%0.16617%0.168CC..Hα-helixtrans-53.9-36174.9-78.4167.7-179.1127.76.7112.4Y151 D248 D253 N254 E260 C261 L307Y151-R257 HydrophobicContact CE1-CG 3.79Å; Y151-R257 HydrophobicContact CE2-CG 4.43Å; Y151-R257 WeakPolarHBondContact OH-CA 3.26Å; Y151-R257 VanDerWaalsContact OH-CG 3.25Å; Y151-R257 WeakPolarHBondContact OH-CG 3.36Å; D248-R257 IonicContact OD2-NH2 2.72Å; D248-R257 PolarHBondContact OD2-NH2 3.21Å; D253-R257 WeakPolarHBondContact O-CB 3.3Å; D253-R257 VanDerWaalsContact O-CG 3.26Å; D253-R257 WeakPolarHBondContact O-CG 3.17Å; D253-R257 PolarHBondContact O-N 3.17Å; N254-R257 PolarHBondContact OD1-NH1 3.26Å; R257-E260 PolarHBondContact O-N 3.08Å; R257-C261 VanDerWaalsContact O-CB 3.24Å; R257-C261 WeakPolarHBondContact O-CB 3.35Å; R257-C261 PolarHBondContact O-N 3.23Å; R257-L307 HydrophobicContact CB-CD1 4.09Å; R257-L307 HydrophobicContact CB-CD2 3.88Å
258L94.8Very high94.1Very high1 Ų131.1 Ų31.11%0.00517%0.166CC..Hα-helixtrans-60.8-46.4173.4-175.2154.4000111.2N254 K255 V256 C261 L262 L304 L307 F308 A384N254-L258 PolarHBondContact O-N 2.8Å; K255-L258 WeakPolarHBondContact O-CB 3.12Å; V256-L258 PolarHBondContact O-N 3.44Å; V256-L258 VanDerWaalsContact O-N 3.17Å; L258-C261 PolarHBondContact O-N 2.82Å; L258-L262 HydrophobicContact CD2-CD1 3.71Å; L258-L262 HydrophobicContact CD2-CG 4.35Å; L258-L262 WeakPolarHBondContact O-CG 3.5Å; L258-L262 PolarHBondContact O-N 2.98Å; L258-L304 HydrophobicContact CD2-CD1 4.49Å; L258-L304 HydrophobicContact CG-CD1 3.92Å; L258-L307 HydrophobicContact CB-CB 4.36Å; L258-L307 HydrophobicContact CB-CD1 4.4Å; L258-F308 HydrophobicContact CD1-CD1 3.94Å; L258-F308 HydrophobicContact CD1-CD2 4.23Å; L258-F308 HydrophobicContact CD1-CE1 3.78Å; L258-F308 HydrophobicContact CD1-CE2 4.08Å; L258-F308 HydrophobicContact CD1-CG 4.15Å; L258-F308 HydrophobicContact CD1-CZ 3.84Å; L258-F308 HydrophobicContact CD2-CZ 4.39Å; L258-F308 HydrophobicContact CG-CZ 4.43Å; L258-A384 HydrophobicContact CD2-CB 4Å
259R96.5Very high94.2Very high41 Ų4129.1 Ų29.116%0.15516%0.158CC..Hα-helixtrans-68.9-39.5178.7-67.5142.1175.173.111.7111.9K255 V256 L262 T263 I380 E381 A384 E388K255-R259 WeakPolarHBondContact O-CD 3.22Å; K255-R259 PolarHBondContact O-NH1 3.07Å; V256-R259 CarbonylContact O-C 3.6Å; V256-R259 WeakPolarHBondContact O-CA 3.39Å; V256-R259 WeakPolarHBondContact O-CB 3.42Å; V256-R259 PolarHBondContact O-N 2.86Å; R259-L262 PolarHBondContact O-N 3.22Å; R259-T263 PolarHBondContact O-N 3.3Å; R259-T263 PolarHBondContact O-OG1 2.93Å; R259-I380 HydrophobicContact CB-CG2 3.92Å; R259-I380 HydrophobicContact CG-CG2 4.37Å; R259-I380 WeakPolarHBondContact O-CG2 3.46Å; R259-E381 IonicContact CZ-OE1 3.52Å; R259-E381 IonicContact CZ-OE2 3.72Å; R259-E381 IonicContact NE-OE1 3.95Å; R259-E381 IonicContact NE-OE2 3.67Å; R259-E381 PolarHBondContact NE-OE2 3.06Å; R259-E381 IonicContact NH2-OE1 2.68Å; R259-E381 PolarHBondContact NH2-OE1 2.94Å; R259-E381 VanDerWaalsContact NH2-OE1 3.12Å; R259-E381 IonicContact NH2-OE2 3.09Å; R259-E381 PolarHBondContact NH2-OE2 2.78Å; R259-A384 HydrophobicContact CG-CB 4.22Å; R259-E388 IonicContact CZ-OE1 3.47Å; R259-E388 IonicContact NH1-OE1 2.84Å; R259-E388 PolarHBondContact NH1-OE1 3.04Å; R259-E388 IonicContact NH2-OE1 2.93Å; R259-E388 PolarHBondContact NH2-OE1 2.78Å
260E97.1Very high94.2Very high8 Ų830.3 Ų30.34%0.03716%0.164CC..Hα-helixtrans-63.5-42174.4-65.2-61.5130.900111.2Y151 R180 E185 S186 V256 R257 L262 T263 Q264Y151-E260 HydrophobicContact CE1-CG 4.02Å; Y151-E260 WeakPolarHBondContact OH-CB 3.46Å; Y151-E260 WeakPolarHBondContact OH-CG 3.05Å; R180-E260 IonicContact CZ-OE1 3.45Å; R180-E260 IonicContact CZ-OE2 3.89Å; R180-E260 IonicContact NH1-OE1 2.69Å; R180-E260 PolarHBondContact NH1-OE1 2.77Å; R180-E260 IonicContact NH1-OE2 3.4Å; R180-E260 PolarHBondContact NH1-OE2 2.77Å; R180-E260 IonicContact NH2-OE1 2.62Å; R180-E260 IonicContact NH2-OE2 3.08Å; R180-E260 PolarHBondContact NH2-OE2 3.46Å; E185-E260 HydrophobicContact CG-CB 4.2Å; S186-E260 PolarHBondContact N-OE2 2.91Å; V256-E260 HydrophobicContact CG1-CG 4.09Å; V256-E260 WeakPolarHBondContact O-CG 3.36Å; V256-E260 PolarHBondContact O-N 3.19Å; R257-E260 PolarHBondContact O-N 3.08Å; E260-L262 PolarHBondContact O-N 3.49Å; E260-T263 WeakPolarHBondContact O-CA 3.49Å; E260-T263 VanDerWaalsContact O-CB 3.31Å; E260-T263 WeakPolarHBondContact O-CB 3.33Å; E260-T263 PolarHBondContact O-N 3.32Å; E260-T263 VanDerWaalsContact O-N 3.12Å; E260-Q264 WeakPolarHBondContact O-CG 3.42Å; E260-Q264 PolarHBondContact O-N 3.48Å
261C96.8Very high94.3Very high0 Ų027.8 Ų27.80%015%0.148CC..Hα-helixtrans-62.9-41.5174.5-173.60000112.3R257 L258 T263 Q264 L265 L300 Y303 L304 L307R257-C261 VanDerWaalsContact O-CB 3.24Å; R257-C261 WeakPolarHBondContact O-CB 3.35Å; R257-C261 PolarHBondContact O-N 3.23Å; L258-C261 PolarHBondContact O-N 2.82Å; C261-T263 VanDerWaalsContact C-N 3.31Å; C261-T263 PolarHBondContact O-N 3.18Å; C261-Q264 PolarHBondContact O-N 2.72Å; C261-L265 WeakPolarHBondContact O-CB 3.32Å; C261-L265 WeakPolarHBondContact O-CG 3.45Å; C261-L265 PolarHBondContact O-N 3.09Å; C261-L300 PolarHBondContact SG-O 2.82Å; C261-L300 VanDerWaalsContact SG-O 3.34Å; C261-Y303 HydrophobicContact CB-CD1 4.31Å; C261-L304 HydrophobicContact CB-CD1 4.38Å; C261-L307 HydrophobicContact CB-CD1 4.18Å
262L96.9Very high94.4Very high15 Ų1526.7 Ų26.78%0.07914%0.14CC..Hα-helixtrans-62.1-39.1172.1-69.9174.3000112L258 R259 E260 L265 V266 L304 I380 V383 A384 L387L258-L262 HydrophobicContact CD2-CD1 3.71Å; L258-L262 HydrophobicContact CD2-CG 4.35Å; L258-L262 WeakPolarHBondContact O-CG 3.5Å; L258-L262 PolarHBondContact O-N 2.98Å; R259-L262 PolarHBondContact O-N 3.22Å; E260-L262 PolarHBondContact O-N 3.49Å; L262-L265 HydrophobicContact CD2-CD1 4.43Å; L262-L265 PolarHBondContact O-N 3.2Å; L262-V266 WeakPolarHBondContact O-CG1 3.17Å; L262-V266 PolarHBondContact O-N 3.4Å; L262-L304 HydrophobicContact CD2-CD1 4.06Å; L262-L304 HydrophobicContact CD2-CD2 3.79Å; L262-L304 HydrophobicContact CG-CD1 4.14Å; L262-I380 HydrophobicContact CB-CG2 4.09Å; L262-V383 HydrophobicContact CD1-CG1 4.34Å; L262-A384 HydrophobicContact CD1-CB 3.83Å; L262-L387 HydrophobicContact CD1-CD1 4.23Å; L262-L387 HydrophobicContact CD2-CD1 3.7Å
263T97.5Very high94.2Very high3 Ų329.5 Ų29.52%0.01816%0.156CC..Hα-helixtrans-62.5-46.6176.2-53.60000110.9R180 L183 R259 E260 C261 V266 G267 M375R180-T263 HydrophobicContact CG-CG2 4.29Å; L183-T263 HydrophobicContact CD1-CG2 3.87Å; R259-T263 PolarHBondContact O-N 3.3Å; R259-T263 PolarHBondContact O-OG1 2.93Å; E260-T263 WeakPolarHBondContact O-CA 3.49Å; E260-T263 VanDerWaalsContact O-CB 3.31Å; E260-T263 WeakPolarHBondContact O-CB 3.33Å; E260-T263 PolarHBondContact O-N 3.32Å; E260-T263 VanDerWaalsContact O-N 3.12Å; C261-T263 VanDerWaalsContact C-N 3.31Å; C261-T263 PolarHBondContact O-N 3.18Å; T263-V266 WeakPolarHBondContact O-CG1 3.23Å; T263-G267 PolarHBondContact O-N 3.11Å; T263-M375 HydrophobicContact CG2-CB 4.14Å; T263-M375 HydrophobicContact CG2-CG 4.31Å; T263-M375 HydrophobicContact CG2-SD 4.27Å
264Q97.1Very high93.4Very high10 Ų1034.1 Ų34.15%0.04717%0.174CC..Hα-helixtrans-61.7-44.5174.4-71.8170.5-44.100111.6E260 C261 V266 G267 F268 E287 L300E260-Q264 WeakPolarHBondContact O-CG 3.42Å; E260-Q264 PolarHBondContact O-N 3.48Å; C261-Q264 PolarHBondContact O-N 2.72Å; Q264-V266 PolarHBondContact O-N 2.81Å; Q264-G267 PolarHBondContact O-N 3.43Å; Q264-F268 HydrophobicContact CB-CZ 4.49Å; Q264-F268 HydrophobicContact CG-CZ 4.44Å; Q264-F268 WeakPolarHBondContact O-CB 3.47Å; Q264-F268 VanDerWaalsContact O-CG 3.24Å; Q264-F268 WeakPolarHBondContact O-CG 3.36Å; Q264-F268 PolarHBondContact O-N 2.88Å; Q264-E287 PolarHBondContact NE2-OE2 3.46Å; Q264-L300 HydrophobicContact CB-CD1 3.76Å; Q264-L300 HydrophobicContact CB-CD2 4.3Å
265L96.5Very high92.2Very high20 Ų2040.2 Ų40.211%0.10521%0.206CC..Hα-helixtrans-57.4-49.7178.7-82.3168.1000111.9C261 L262 S269 F297 L300 L304C261-L265 WeakPolarHBondContact O-CB 3.32Å; C261-L265 WeakPolarHBondContact O-CG 3.45Å; C261-L265 PolarHBondContact O-N 3.09Å; L262-L265 HydrophobicContact CD2-CD1 4.43Å; L262-L265 PolarHBondContact O-N 3.2Å; L265-S269 WeakPolarHBondContact O-CB 3.3Å; L265-S269 PolarHBondContact O-N 3.3Å; L265-S269 VanDerWaalsContact O-N 3.13Å; L265-S269 PolarHBondContact O-OG 3.46Å; L265-F297 HydrophobicContact CD2-CD2 4.07Å; L265-F297 HydrophobicContact CD2-CE2 4.06Å; L265-L300 HydrophobicContact CD2-CB 3.56Å; L265-L300 HydrophobicContact CD2-CD1 4.05Å; L265-L300 HydrophobicContact CD2-CG 4.48Å; L265-L300 HydrophobicContact CG-CB 3.85Å; L265-L300 HydrophobicContact CG-CD1 4.12Å; L265-L304 HydrophobicContact CD1-CD2 3.86Å
266V96Very high90.6Very high36 Ų3638.1 Ų38.122%0.21820%0.201CC..Hα-helixtrans-71.2-43.9179.668.80000111.6L262 T263 Q264 S269 L270 F374 M375 I380L262-V266 WeakPolarHBondContact O-CG1 3.17Å; L262-V266 PolarHBondContact O-N 3.4Å; T263-V266 WeakPolarHBondContact O-CG1 3.23Å; Q264-V266 PolarHBondContact O-N 2.81Å; V266-S269 PolarHBondContact O-N 2.78Å; V266-L270 HydrophobicContact CG2-CD1 4.01Å; V266-L270 HydrophobicContact CG2-CG 4.38Å; V266-L270 WeakPolarHBondContact O-CG 3.32Å; V266-L270 PolarHBondContact O-N 3.32Å; V266-F374 HydrophobicContact CG2-CB 4.04Å; V266-M375 HydrophobicContact CG1-CG 4.05Å; V266-I380 HydrophobicContact CG1-CD1 3.81Å
267G94.9Very high89.1Confident0 Ų041.1 Ų41.10%022%0.224CC..Hα-helixtrans-59.7-53-18000000111.9T263 Q264 S269 L270 L271 M375T263-G267 PolarHBondContact O-N 3.11Å; Q264-G267 PolarHBondContact O-N 3.43Å; G267-S269 VanDerWaalsContact C-N 3.32Å; G267-S269 PolarHBondContact O-N 2.92Å; G267-L270 PolarHBondContact O-N 3.29Å; G267-L271 WeakPolarHBondContact O-CB 3.39Å; G267-L271 WeakPolarHBondContact O-CG 3.42Å; G267-L271 PolarHBondContact O-N 3.14Å; G267-M375 VanDerWaalsContact CA-SD 3.54Å
268F94.7Very high87.7Confident0 Ų042.9 Ų42.90%024%0.236CC..Hα-helixtrans-64.5-37.7179.3-68.53.9000111.7L183 Q264 L271 S272 L283 E287 T290 Y291 W296 L300L183-F268 HydrophobicContact CD2-CD1 4.01Å; L183-F268 HydrophobicContact CD2-CE1 3.75Å; Q264-F268 HydrophobicContact CB-CZ 4.49Å; Q264-F268 HydrophobicContact CG-CZ 4.44Å; Q264-F268 WeakPolarHBondContact O-CB 3.47Å; Q264-F268 VanDerWaalsContact O-CG 3.24Å; Q264-F268 WeakPolarHBondContact O-CG 3.36Å; Q264-F268 PolarHBondContact O-N 2.88Å; F268-L271 PolarHBondContact O-N 3.01Å; F268-S272 VanDerWaalsContact O-CB 3.25Å; F268-S272 WeakPolarHBondContact O-CB 3.43Å; F268-S272 PolarHBondContact O-N 2.87Å; F268-S272 PolarHBondContact O-OG 3.25Å; F268-L283 HydrophobicContact CD1-CD2 4.06Å; F268-L283 HydrophobicContact CE1-CD2 3.74Å; F268-E287 HydrophobicContact CE1-CB 4.17Å; F268-E287 HydrophobicContact CZ-CB 4.05Å; F268-T290 HydrophobicContact CE2-CG2 3.88Å; F268-Y291 HydrophobicContact CB-CD2 3.8Å; F268-Y291 HydrophobicContact CB-CE2 4.04Å; F268-Y291 AromaticContact CD1-CD2 3.78Å; F268-Y291 HydrophobicContact CD1-CD2 3.78Å; F268-Y291 AromaticContact CD2-CD2 3.92Å; F268-Y291 HydrophobicContact CD2-CD2 3.92Å; F268-Y291 HydrophobicContact CE1-CD2 4.32Å; F268-Y291 HydrophobicContact CE2-CD2 4.44Å; F268-Y291 AromaticContact CG-CD2 3.56Å; F268-Y291 HydrophobicContact CG-CD2 3.56Å; F268-Y291 HydrophobicContact CG-CE2 4.28Å; F268-W296 HydrophobicContact CB-CD2 4.24Å; F268-W296 HydrophobicContact CB-CE3 3.77Å; F268-W296 HydrophobicContact CB-CH2 3.66Å; F268-W296 HydrophobicContact CB-CZ2 4.11Å; F268-W296 HydrophobicContact CB-CZ3 3.46Å; F268-W296 VanDerWaalsContact CB-CZ3 3.46Å; F268-W296 HydrophobicContact CD2-CD2 4.1Å; F268-W296 AromaticContact CD2-CE3 3.69Å; F268-W296 HydrophobicContact CD2-CE3 3.69Å; F268-W296 HydrophobicContact CD2-CZ3 4.22Å; F268-W296 HydrophobicContact CG-CE3 4.26Å; F268-W296 HydrophobicContact CG-CZ3 4.38Å; F268-L300 HydrophobicContact CD2-CD1 3.88Å; F268-L300 HydrophobicContact CE2-CD1 4.17Å
269S94.2Very high86.4Confident35 Ų3545.1 Ų45.125%0.24525%0.247CC..Hα-helixtrans-62.3-47.4176.6-62.50000111.5L265 V266 G267 S272 N273L265-S269 WeakPolarHBondContact O-CB 3.3Å; L265-S269 PolarHBondContact O-N 3.3Å; L265-S269 VanDerWaalsContact O-N 3.13Å; L265-S269 PolarHBondContact O-OG 3.46Å; V266-S269 PolarHBondContact O-N 2.78Å; G267-S269 VanDerWaalsContact C-N 3.32Å; G267-S269 PolarHBondContact O-N 2.92Å; S269-S272 PolarHBondContact O-N 2.8Å; S269-S272 PolarHBondContact O-OG 3.13Å; S269-N273 PolarHBondContact O-ND2 3.27Å
270L92.7Very high85Confident47 Ų4748.7 Ų48.725%0.24626%0.263CS..Hα-helixtrans-65.8-44.3178.6-67.7173.5000111.8V266 G267 S272 N273 V371 F374V266-L270 HydrophobicContact CG2-CD1 4.01Å; V266-L270 HydrophobicContact CG2-CG 4.38Å; V266-L270 WeakPolarHBondContact O-CG 3.32Å; V266-L270 PolarHBondContact O-N 3.32Å; G267-L270 PolarHBondContact O-N 3.29Å; L270-S272 VanDerWaalsContact C-N 3.3Å; L270-S272 PolarHBondContact O-N 2.9Å; L270-N273 PolarHBondContact O-N 3.34Å; L270-V371 HydrophobicContact CB-CG1 4.41Å; L270-V371 HydrophobicContact CB-CG2 4.05Å; L270-V371 HydrophobicContact CD1-CG1 4.33Å; L270-V371 HydrophobicContact CD1-CG2 4.38Å; L270-F374 HydrophobicContact CD1-CB 3.8Å; L270-F374 HydrophobicContact CD1-CD2 3.88Å; L270-F374 HydrophobicContact CD1-CG 4.04Å
271L90.2Very high84.3Confident3 Ų351.1 Ų51.12%0.01628%0.278CS..Hα-helixtrans-63.4-34.9178.5-69.7171.6000112.7G267 F268 N273 Y274 L282 L283 Y291 F367G267-L271 WeakPolarHBondContact O-CB 3.39Å; G267-L271 WeakPolarHBondContact O-CG 3.42Å; G267-L271 PolarHBondContact O-N 3.14Å; F268-L271 PolarHBondContact O-N 3.01Å; L271-N273 PolarHBondContact O-N 3.1Å; L271-Y274 PolarHBondContact O-N 2.9Å; L271-Y274 VanDerWaalsContact O-N 3.09Å; L271-L282 HydrophobicContact CD2-CB 4.09Å; L271-L282 HydrophobicContact CD2-CD1 3.67Å; L271-L283 HydrophobicContact CD1-CD1 4.04Å; L271-L283 HydrophobicContact CD1-CD2 3.38Å; L271-L283 HydrophobicContact CD1-CG 3.65Å; L271-Y291 HydrophobicContact CB-CE2 4.2Å; L271-Y291 PolarHBondContact O-OH 3.39Å; L271-F367 HydrophobicContact CD2-CE1 4.14Å
272S88.9Confident83.9Confident61 Ų6151.5 Ų51.543%0.42728%0.281SS..Hα-helixtrans-65-19.1178.372.20000114.2F268 S269 L270 Y291F268-S272 VanDerWaalsContact O-CB 3.25Å; F268-S272 WeakPolarHBondContact O-CB 3.43Å; F268-S272 PolarHBondContact O-N 2.87Å; F268-S272 PolarHBondContact O-OG 3.25Å; S269-S272 PolarHBondContact O-N 2.8Å; S269-S272 PolarHBondContact O-OG 3.13Å; L270-S272 VanDerWaalsContact C-N 3.3Å; L270-S272 PolarHBondContact O-N 2.9Å; S272-Y291 WeakPolarHBondContact CA-OH 3.32Å; S272-Y291 PolarHBondContact N-OH 2.99Å
273N85Confident83.7Confident139 Ų13950.8 Ų50.874%0.74328%0.277SS*.THydrogen-bonded Turntrans-94.82.3177.5-72.2-81.6000113S269 L270 L271S269-N273 PolarHBondContact O-ND2 3.27Å; L270-N273 PolarHBondContact O-N 3.34Å; L271-N273 PolarHBondContact O-N 3.1Å
274Y78.9Confident83.4Confident97 Ų9752.1 Ų52.138%0.3828%0.283SS..  trans-104.5119.6-178.3-161.4-112.9000111.4L271 V276 F367L271-Y274 PolarHBondContact O-N 2.9Å; L271-Y274 VanDerWaalsContact O-N 3.09Å; Y274-V276 VanDerWaalsContact C-N 3.28Å; Y274-V276 HydrophobicContact CD1-CB 3.93Å; Y274-V276 HydrophobicContact CD1-CG2 3.69Å; Y274-V276 HydrophobicContact CE1-CB 3.75Å; Y274-V276 HydrophobicContact CE1-CG2 3.25Å; Y274-V276 PolarHBondContact O-N 3.22Å; Y274-F367 VanDerWaalsContact CB-CZ 3.42Å; Y274-F367 AromaticContact CD1-CD1 3.74Å; Y274-F367 HydrophobicContact CD1-CD1 3.74Å; Y274-F367 AromaticContact CD1-CE1 3.67Å; Y274-F367 HydrophobicContact CD1-CE1 3.67Å; Y274-F367 HydrophobicContact CD1-CG 4.48Å; Y274-F367 HydrophobicContact CD1-CZ 4.38Å; Y274-F367 HydrophobicContact CD2-CB 4.22Å; Y274-F367 AromaticContact CD2-CD1 3.49Å; Y274-F367 HydrophobicContact CD2-CD1 3.49Å; Y274-F367 VanDerWaalsContact CD2-CD1 3.49Å; Y274-F367 AromaticContact CD2-CD2 3.49Å; Y274-F367 HydrophobicContact CD2-CD2 3.49Å; Y274-F367 VanDerWaalsContact CD2-CD2 3.49Å; Y274-F367 AromaticContact CD2-CE1 3.6Å; Y274-F367 HydrophobicContact CD2-CE1 3.6Å; Y274-F367 AromaticContact CD2-CE2 3.61Å; Y274-F367 HydrophobicContact CD2-CE2 3.61Å; Y274-F367 AromaticContact CD2-CG 3.44Å; Y274-F367 HydrophobicContact CD2-CG 3.44Å; Y274-F367 VanDerWaalsContact CD2-CG 3.44Å; Y274-F367 AromaticContact CD2-CZ 3.68Å; Y274-F367 HydrophobicContact CD2-CZ 3.68Å; Y274-F367 AromaticContact CE1-CD1 3.8Å; Y274-F367 HydrophobicContact CE1-CD1 3.8Å; Y274-F367 HydrophobicContact CE1-CE1 4.22Å; Y274-F367 HydrophobicContact CE1-CG 4.39Å; Y274-F367 HydrophobicContact CE2-CB 3.6Å; Y274-F367 AromaticContact CE2-CD1 3.58Å; Y274-F367 HydrophobicContact CE2-CD1 3.58Å; Y274-F367 AromaticContact CE2-CD2 3.76Å; Y274-F367 HydrophobicContact CE2-CD2 3.76Å; Y274-F367 HydrophobicContact CE2-CE1 4.18Å; Y274-F367 HydrophobicContact CE2-CE2 4.35Å; Y274-F367 AromaticContact CE2-CG 3.34Å; Y274-F367 HydrophobicContact CE2-CG 3.34Å; Y274-F367 AromaticContact CG-CD1 3.58Å; Y274-F367 HydrophobicContact CG-CD1 3.58Å; Y274-F367 HydrophobicContact CG-CD2 4.24Å; Y274-F367 AromaticContact CG-CE1 3.32Å; Y274-F367 HydrophobicContact CG-CE1 3.32Å; Y274-F367 HydrophobicContact CG-CE2 4.03Å; Y274-F367 HydrophobicContact CG-CG 4.04Å; Y274-F367 AromaticContact CG-CZ 3.58Å; Y274-F367 HydrophobicContact CG-CZ 3.58Å; Y274-F367 AromaticContact CZ-CD1 3.74Å; Y274-F367 AromaticContact CZ-CG 3.86Å
275D65.7Low82.9Confident164 Ų16454.6 Ų54.688%0.87730%0.299SS*.  trans-85.155.7-172.3-169.218.7000113.1
276V58.4Low82.6Confident49 Ų4956.4 Ų56.430%0.29731%0.314SS..SBendtrans-140.4142.9178.9-161.30000112.2Y274 D278 H279Y274-V276 VanDerWaalsContact C-N 3.28Å; Y274-V276 HydrophobicContact CD1-CB 3.93Å; Y274-V276 HydrophobicContact CD1-CG2 3.69Å; Y274-V276 HydrophobicContact CE1-CB 3.75Å; Y274-V276 HydrophobicContact CE1-CG2 3.25Å; Y274-V276 PolarHBondContact O-N 3.22Å; V276-D278 HydrophobicContact CB-CB 4.2Å; V276-D278 HydrophobicContact CG1-CB 3.77Å; V276-D278 WeakPolarHBondContact CG1-OD2 3.3Å; V276-D278 PolarHBondContact O-N 3.02Å; V276-H279 PolarHBondContact O-ND1 2.86Å
277S62.8Low82.4Confident91 Ų9155 Ų5564%0.63631%0.305SS*.THydrogen-bonded Turntrans-52.1-12.6164.946.90000114.8H279S277-H279 VanDerWaalsContact C-N 3.34Å; S277-H279 PolarHBondContact O-N 3.37Å
278D66.4Low82.2Confident80 Ų8057 Ų5743%0.42831%0.314SS..THydrogen-bonded Turntrans-79.5-8.1-171.4-67.6-9.1000114V276 K280 V281V276-D278 HydrophobicContact CB-CB 4.2Å; V276-D278 HydrophobicContact CG1-CB 3.77Å; V276-D278 WeakPolarHBondContact CG1-OD2 3.3Å; V276-D278 PolarHBondContact O-N 3.02Å; D278-K280 PolarHBondContact O-N 3.38Å; D278-V281 WeakPolarHBondContact O-CB 3.41Å; D278-V281 PolarHBondContact O-N 3.26Å
279H66.6Low81.9Confident49 Ų4960.5 Ų60.523%0.22734%0.344CS..Hα-helixtrans-56-26174.860.7-89.2000112.6V276 S277 V281 L282 L283V276-H279 PolarHBondContact O-ND1 2.86Å; S277-H279 VanDerWaalsContact C-N 3.34Å; S277-H279 PolarHBondContact O-N 3.37Å; H279-V281 PolarHBondContact O-N 3.16Å; H279-L282 PolarHBondContact O-N 3.18Å; H279-L282 VanDerWaalsContact O-N 3.13Å; H279-L283 WeakPolarHBondContact O-CB 3.49Å; H279-L283 PolarHBondContact O-N 3.42Å
280K68.9Low81.8Confident115 Ų11561.3 Ų61.350%0.535%0.347SS..Hα-helixtrans-64.5-24174.3-66.7-174.4176.8-1760113.7D278D278-K280 PolarHBondContact O-N 3.38Å
281V80.8Confident81.7Confident59 Ų5960.6 Ų60.636%0.35834%0.342SS..Hα-helixtrans-80-33.4174.4-176.10000110.4T62 D278 H279T62-V281 WeakPolarHBondContact CB-O 3.39Å; T62-V281 PolarHBondContact OG1-O 2.7Å; D278-V281 WeakPolarHBondContact O-CB 3.41Å; D278-V281 PolarHBondContact O-N 3.26Å; H279-V281 PolarHBondContact O-N 3.16Å
282L89.2Confident81.7Confident9 Ų966.6 Ų66.65%0.04737%0.369CS..Hα-helixtrans-89-14.1-176.7-59.8-175.2000114.5L181 P182 L183 L271 H279 E368L181-L282 HydrophobicContact CD1-CD2 4.22Å; L181-L282 HydrophobicContact CD2-CB 4.05Å; L181-L282 HydrophobicContact CD2-CD2 4.33Å; L181-L282 WeakPolarHBondContact CD2-O 3.35Å; P182-L282 CarbonylContact C-O 3.58Å; P182-L282 VanDerWaalsContact CA-O 3.28Å; P182-L282 WeakPolarHBondContact CA-O 3.28Å; L183-L282 PolarHBondContact N-O 3.01Å; L271-L282 HydrophobicContact CD2-CB 4.09Å; L271-L282 HydrophobicContact CD2-CD1 3.67Å; H279-L282 PolarHBondContact O-N 3.18Å; H279-L282 VanDerWaalsContact O-N 3.13Å; L282-E368 HydrophobicContact CD1-CG 4.11Å; L282-E368 HydrophobicContact CD2-CG 3.98Å
283L91.5Very high81.8Confident0 Ų066 Ų660%036%0.361CS..BIsolated β-bridgetrans-115122.6176.2-67.8177.4000110L183 F268 L271 H279 E287 Q288 Y291L183-L283 HydrophobicContact CB-CD2 3.91Å; L183-L283 HydrophobicContact CD2-CD2 4.11Å; L183-L283 HydrophobicContact CG-CD2 4.48Å; F268-L283 HydrophobicContact CD1-CD2 4.06Å; F268-L283 HydrophobicContact CE1-CD2 3.74Å; L271-L283 HydrophobicContact CD1-CD1 4.04Å; L271-L283 HydrophobicContact CD1-CD2 3.38Å; L271-L283 HydrophobicContact CD1-CG 3.65Å; H279-L283 WeakPolarHBondContact O-CB 3.49Å; H279-L283 PolarHBondContact O-N 3.42Å; L283-E287 HydrophobicContact CD2-CB 4.38Å; L283-Q288 HydrophobicContact CB-CG 4.22Å; L283-Q288 PolarHBondContact O-NE2 3Å; L283-Q288 VanDerWaalsContact O-NE2 3.1Å; L283-Y291 HydrophobicContact CD1-CD1 3.48Å; L283-Y291 VanDerWaalsContact CD1-CD1 3.48Å; L283-Y291 HydrophobicContact CD1-CD2 3.92Å; L283-Y291 HydrophobicContact CD1-CE1 3.92Å; L283-Y291 HydrophobicContact CD1-CE2 4.32Å; L283-Y291 HydrophobicContact CD1-CG 3.46Å; L283-Y291 VanDerWaalsContact CD1-CG 3.46Å
284H91.9Very high82.2Confident31 Ų3168 Ų6814%0.14436%0.363CS..  trans-59.4144.5170.5-174.9-103000109.9E61 L183 E184 S286 E287 Q288E61-H284 IonicContact OE2-CD2 3.3Å; E61-H284 IonicContact OE2-NE2 3.68Å; L183-H284 WeakPolarHBondContact O-CB 3.31Å; L183-H284 PolarHBondContact O-N 2.89Å; E184-H284 HydrophobicContact CB-CB 3.69Å; E184-H284 HydrophobicContact CG-CB 4.15Å; E184-H284 IonicContact OE1-CE1 3.91Å; E184-H284 PolarHBondContact OE1-CE1 3.48Å; E184-H284 VanDerWaalsContact OE1-CE1 3.25Å; E184-H284 IonicContact OE1-ND1 2.83Å; E184-H284 PolarHBondContact OE1-ND1 2.87Å; E184-H284 IonicContact OE1-NE2 3.65Å; H284-S286 WeakPolarHBondContact ND1-CB 3.33Å; H284-S286 PolarHBondContact ND1-N 3.27Å; H284-S286 PolarHBondContact ND1-OG 3.31Å; H284-S286 PolarHBondContact O-N 2.8Å; H284-E287 PolarHBondContact O-N 2.91Å; H284-Q288 PolarHBondContact O-N 2.83Å
285P87.6Confident82.9Confident61 Ų6169.6 Ų69.640%0.39637%0.372SS..Hα-helixtrans-52.1-26.9179.8-32.137.8000115.5E287 Q288P285-E287 VanDerWaalsContact C-N 3.29Å; P285-E287 PolarHBondContact O-N 3.12Å; P285-Q288 PolarHBondContact O-N 2.99Å
286S89Confident84.3Confident59 Ų5963.4 Ų63.441%0.41334%0.337SS..Hα-helixtrans-62.9-34.1173.762.30000113H284H284-S286 WeakPolarHBondContact ND1-CB 3.33Å; H284-S286 PolarHBondContact ND1-N 3.27Å; H284-S286 PolarHBondContact ND1-OG 3.31Å; H284-S286 PolarHBondContact O-N 2.8Å
287E92.8Very high86.1Confident6 Ų666.1 Ų66.13%0.02835%0.345CS..Hα-helixtrans-83.8-24.1-179-61.9-51.3127.100112.7L183 E185 Q264 F268 L283 H284 P285 A289 T290 Y291L183-E287 HydrophobicContact CG-CG 4.37Å; L183-E287 WeakPolarHBondContact O-CG 3.48Å; E185-E287 VanDerWaalsContact CB-OE1 3.24Å; E185-E287 WeakPolarHBondContact CB-OE1 3.38Å; E185-E287 PolarHBondContact N-OE1 3.12Å; Q264-E287 PolarHBondContact NE2-OE2 3.46Å; F268-E287 HydrophobicContact CE1-CB 4.17Å; F268-E287 HydrophobicContact CZ-CB 4.05Å; L283-E287 HydrophobicContact CD2-CB 4.38Å; H284-E287 PolarHBondContact O-N 2.91Å; P285-E287 VanDerWaalsContact C-N 3.29Å; P285-E287 PolarHBondContact O-N 3.12Å; E287-A289 VanDerWaalsContact C-N 3.34Å; E287-A289 PolarHBondContact O-N 3.45Å; E287-T290 PolarHBondContact O-N 3.22Å; E287-T290 VanDerWaalsContact O-N 3.12Å; E287-Y291 WeakPolarHBondContact O-CB 3.48Å; E287-Y291 PolarHBondContact O-N 2.88Å
288Q89.8Confident87.7Confident41 Ų4168 Ų6819%0.19234%0.341CS..Hα-helixtrans-58.9-42.9-172.4-69.4177.815.100112.1L283 H284 P285 T290 Y291 E292L283-Q288 HydrophobicContact CB-CG 4.22Å; L283-Q288 PolarHBondContact O-NE2 3Å; L283-Q288 VanDerWaalsContact O-NE2 3.1Å; H284-Q288 PolarHBondContact O-N 2.83Å; P285-Q288 PolarHBondContact O-N 2.99Å; Q288-T290 VanDerWaalsContact C-N 3.31Å; Q288-T290 PolarHBondContact O-N 3.21Å; Q288-Y291 PolarHBondContact O-N 2.78Å; Q288-E292 WeakPolarHBondContact O-CB 3.38Å; Q288-E292 VanDerWaalsContact O-CG 3.25Å; Q288-E292 WeakPolarHBondContact O-CG 3.26Å; Q288-E292 PolarHBondContact O-N 3.46Å
289A88.7Confident89.1Confident75 Ų7569.6 Ų69.662%0.6235%0.345SS*.Hα-helixtrans-64.1-36.4179.400000112.8E287E287-A289 VanDerWaalsContact C-N 3.34Å; E287-A289 PolarHBondContact O-N 3.45Å
290T91.1Very high90.5Very high52 Ų5267.7 Ų67.732%0.31934%0.336SS..Hα-helixtrans-70-46.7175.3-56.40000109.9F268 E287 Q288 N293 W296F268-T290 HydrophobicContact CE2-CG2 3.88Å; E287-T290 PolarHBondContact O-N 3.22Å; E287-T290 VanDerWaalsContact O-N 3.12Å; Q288-T290 VanDerWaalsContact C-N 3.31Å; Q288-T290 PolarHBondContact O-N 3.21Å; T290-N293 WeakPolarHBondContact O-CB 3.41Å; T290-N293 PolarHBondContact O-N 3.46Å; T290-W296 WeakPolarHBondContact O-CB 3.29Å
291Y91.1Very high91.8Very high32 Ų3265.1 Ų65.113%0.12533%0.328CS..Hα-helixtrans-62.8-41.9-179.8179.9-106.3000113.5F268 L271 S272 L283 E287 Q288 N293F268-Y291 HydrophobicContact CB-CD2 3.8Å; F268-Y291 HydrophobicContact CB-CE2 4.04Å; F268-Y291 AromaticContact CD1-CD2 3.78Å; F268-Y291 HydrophobicContact CD1-CD2 3.78Å; F268-Y291 AromaticContact CD2-CD2 3.92Å; F268-Y291 HydrophobicContact CD2-CD2 3.92Å; F268-Y291 HydrophobicContact CE1-CD2 4.32Å; F268-Y291 HydrophobicContact CE2-CD2 4.44Å; F268-Y291 AromaticContact CG-CD2 3.56Å; F268-Y291 HydrophobicContact CG-CD2 3.56Å; F268-Y291 HydrophobicContact CG-CE2 4.28Å; L271-Y291 HydrophobicContact CB-CE2 4.2Å; L271-Y291 PolarHBondContact O-OH 3.39Å; S272-Y291 WeakPolarHBondContact CA-OH 3.32Å; S272-Y291 PolarHBondContact N-OH 2.99Å; L283-Y291 HydrophobicContact CD1-CD1 3.48Å; L283-Y291 VanDerWaalsContact CD1-CD1 3.48Å; L283-Y291 HydrophobicContact CD1-CD2 3.92Å; L283-Y291 HydrophobicContact CD1-CE1 3.92Å; L283-Y291 HydrophobicContact CD1-CE2 4.32Å; L283-Y291 HydrophobicContact CD1-CG 3.46Å; L283-Y291 VanDerWaalsContact CD1-CG 3.46Å; E287-Y291 WeakPolarHBondContact O-CB 3.48Å; E287-Y291 PolarHBondContact O-N 2.88Å; Q288-Y291 PolarHBondContact O-N 2.78Å; Y291-N293 PolarHBondContact O-N 2.98Å
292E90.6Very high92.5Very high128 Ų12866.1 Ų66.160%0.59833%0.331SS*.THydrogen-bonded Turntrans-70.8-12179.1-71.6176.8170.300112.8Q288 K294Q288-E292 WeakPolarHBondContact O-CB 3.38Å; Q288-E292 VanDerWaalsContact O-CG 3.25Å; Q288-E292 WeakPolarHBondContact O-CG 3.26Å; Q288-E292 PolarHBondContact O-N 3.46Å; E292-K294 PolarHBondContact O-N 2.81Å
293N91.8Very high92.8Very high48 Ų4869.4 Ų69.426%0.25734%0.343SS..SBendtrans-68119.8175-166.1-73.6000110.6T290 Y291 F295 W296 K299T290-N293 WeakPolarHBondContact O-CB 3.41Å; T290-N293 PolarHBondContact O-N 3.46Å; Y291-N293 PolarHBondContact O-N 2.98Å; N293-F295 PolarHBondContact O-N 2.87Å; N293-F295 PolarHBondContact OD1-N 2.95Å; N293-W296 HydrophobicContact CB-CB 4.36Å; N293-W296 VanDerWaalsContact O-CB 3.3Å; N293-W296 WeakPolarHBondContact O-CB 3.36Å; N293-W296 PolarHBondContact O-N 2.79Å; N293-K299 PolarHBondContact ND2-NZ 2.89Å
294K92.6Very high92.9Very high182 Ų18270 Ų7079%0.79135%0.346SS*.THydrogen-bonded Turntrans-49.7-26.2177.9-174.5176.7179.3179.70114.8E292E292-K294 PolarHBondContact O-N 2.81Å
295F94.5Very high92.8Very high130 Ų13073.1 Ų73.157%0.5736%0.361SS*.THydrogen-bonded Turntrans-110.522.8-179.1-54.2-72.6000113N293 F297 K298 K299N293-F295 PolarHBondContact O-N 2.87Å; N293-F295 PolarHBondContact OD1-N 2.95Å; F295-F297 PolarHBondContact O-N 2.99Å; F295-K298 PolarHBondContact O-N 2.98Å; F295-K299 WeakPolarHBondContact O-CG 3.33Å; F295-K299 PolarHBondContact O-N 3.07Å
296W94.8Very high93Very high34 Ų3474.3 Ų74.313%0.12936%0.363CS..Hα-helixtrans-51.1-43.8-179.166.7-106.4000112.1F268 T290 N293 K298 K299 L300F268-W296 HydrophobicContact CB-CD2 4.24Å; F268-W296 HydrophobicContact CB-CE3 3.77Å; F268-W296 HydrophobicContact CB-CH2 3.66Å; F268-W296 HydrophobicContact CB-CZ2 4.11Å; F268-W296 HydrophobicContact CB-CZ3 3.46Å; F268-W296 VanDerWaalsContact CB-CZ3 3.46Å; F268-W296 HydrophobicContact CD2-CD2 4.1Å; F268-W296 AromaticContact CD2-CE3 3.69Å; F268-W296 HydrophobicContact CD2-CE3 3.69Å; F268-W296 HydrophobicContact CD2-CZ3 4.22Å; F268-W296 HydrophobicContact CG-CE3 4.26Å; F268-W296 HydrophobicContact CG-CZ3 4.38Å; T290-W296 WeakPolarHBondContact O-CB 3.29Å; N293-W296 HydrophobicContact CB-CB 4.36Å; N293-W296 VanDerWaalsContact O-CB 3.3Å; N293-W296 WeakPolarHBondContact O-CB 3.36Å; N293-W296 PolarHBondContact O-N 2.79Å; W296-K298 PolarHBondContact O-N 3.04Å; W296-K299 PolarHBondContact O-N 3.17Å; W296-L300 HydrophobicContact CE3-CD1 3.97Å; W296-L300 HydrophobicContact CZ3-CD1 4.36Å; W296-L300 WeakPolarHBondContact O-CG 3.45Å; W296-L300 PolarHBondContact O-N 3.33Å
297F96.3Very high93.1Very high106 Ų10671.5 Ų71.547%0.46534%0.343SS..Hα-helixtrans-62.8-47.7-177-174.1-88.1000111.4L265 F295 K299 L300 L301L265-F297 HydrophobicContact CD2-CD2 4.07Å; L265-F297 HydrophobicContact CD2-CE2 4.06Å; F295-F297 PolarHBondContact O-N 2.99Å; F297-K299 VanDerWaalsContact C-N 3.34Å; F297-K299 PolarHBondContact O-N 2.85Å; F297-L300 PolarHBondContact O-N 3.22Å; F297-L301 HydrophobicContact CE1-CD2 4.44Å; F297-L301 WeakPolarHBondContact O-CB 3.37Å; F297-L301 PolarHBondContact O-N 3.06Å
298K96.2Very high92.8Very high130 Ų13072.9 Ų72.957%0.56535%0.349SS*.Hα-helixtrans-62.7-42.5177-175.1-178.8176.2-173.90111.1F295 W296 L301 D302F295-K298 PolarHBondContact O-N 2.98Å; W296-K298 PolarHBondContact O-N 3.04Å; K298-L301 PolarHBondContact O-N 2.95Å; K298-D302 WeakPolarHBondContact O-CB 3.25Å; K298-D302 VanDerWaalsContact O-CG 3.23Å; K298-D302 PolarHBondContact O-N 2.85Å
299K95.8Very high92.4Very high115 Ų11578.4 Ų78.450%0.538%0.375SS..Hα-helixtrans-61.4-45.2178.7-74.5-179.1169.6-170.60112.4N293 F295 W296 F297 Y303N293-K299 PolarHBondContact ND2-NZ 2.89Å; F295-K299 WeakPolarHBondContact O-CG 3.33Å; F295-K299 PolarHBondContact O-N 3.07Å; W296-K299 PolarHBondContact O-N 3.17Å; F297-K299 VanDerWaalsContact C-N 3.34Å; F297-K299 PolarHBondContact O-N 2.85Å; K299-Y303 WeakPolarHBondContact O-CB 3.33Å; K299-Y303 PolarHBondContact O-N 3.04Å
300L96.4Very high92Very high8 Ų879.9 Ų79.94%0.04237%0.369CS..Hα-helixtrans-65.9-39.7176.5-70-179.6000111.3C261 Q264 L265 F268 W296 F297 Y303 L304C261-L300 PolarHBondContact SG-O 2.82Å; C261-L300 VanDerWaalsContact SG-O 3.34Å; Q264-L300 HydrophobicContact CB-CD1 3.76Å; Q264-L300 HydrophobicContact CB-CD2 4.3Å; L265-L300 HydrophobicContact CD2-CB 3.56Å; L265-L300 HydrophobicContact CD2-CD1 4.05Å; L265-L300 HydrophobicContact CD2-CG 4.48Å; L265-L300 HydrophobicContact CG-CB 3.85Å; L265-L300 HydrophobicContact CG-CD1 4.12Å; F268-L300 HydrophobicContact CD2-CD1 3.88Å; F268-L300 HydrophobicContact CE2-CD1 4.17Å; W296-L300 HydrophobicContact CE3-CD1 3.97Å; W296-L300 HydrophobicContact CZ3-CD1 4.36Å; W296-L300 WeakPolarHBondContact O-CG 3.45Å; W296-L300 PolarHBondContact O-N 3.33Å; F297-L300 PolarHBondContact O-N 3.22Å; L300-Y303 PolarHBondContact O-N 3.14Å; L300-L304 WeakPolarHBondContact O-CB 3.39Å; L300-L304 PolarHBondContact O-N 3.49Å
301L95.6Very high90.8Very high62 Ų6278.9 Ų78.933%0.32536%0.361SS..Hα-helixtrans-63.6-46.5175.9-174.863000112.2F297 K298 Y303 L304 H305F297-L301 HydrophobicContact CE1-CD2 4.44Å; F297-L301 WeakPolarHBondContact O-CB 3.37Å; F297-L301 PolarHBondContact O-N 3.06Å; K298-L301 PolarHBondContact O-N 2.95Å; L301-Y303 VanDerWaalsContact C-N 3.29Å; L301-Y303 PolarHBondContact O-N 3.41Å; L301-L304 WeakPolarHBondContact O-CB 3.41Å; L301-L304 PolarHBondContact O-N 3.18Å; L301-H305 PolarHBondContact O-CD2 2.89Å; L301-H305 PolarHBondContact O-N 3.05Å
302D95.6Very high88.9Confident79 Ų7982.4 Ų82.442%0.42239%0.388SS..Hα-helixtrans-60.3-40.4175.7-69.2-19.5000110.7K298 H305 I306K298-D302 WeakPolarHBondContact O-CB 3.25Å; K298-D302 VanDerWaalsContact O-CG 3.23Å; K298-D302 PolarHBondContact O-N 2.85Å; D302-H305 PolarHBondContact O-N 3.03Å; D302-I306 WeakPolarHBondContact O-CG1 3.34Å; D302-I306 PolarHBondContact O-N 3.3Å
303Y94.9Very high87Confident78 Ų7879.3 Ų79.331%0.30638%0.376SS..Hα-helixtrans-66.8-43176-176.7-135.2000112.5C261 K299 L300 L301 H305 I306 L307C261-Y303 HydrophobicContact CB-CD1 4.31Å; K299-Y303 WeakPolarHBondContact O-CB 3.33Å; K299-Y303 PolarHBondContact O-N 3.04Å; L300-Y303 PolarHBondContact O-N 3.14Å; L301-Y303 VanDerWaalsContact C-N 3.29Å; L301-Y303 PolarHBondContact O-N 3.41Å; Y303-H305 VanDerWaalsContact C-N 3.29Å; Y303-H305 PolarHBondContact O-N 3.26Å; Y303-I306 WeakPolarHBondContact O-CB 3.21Å; Y303-I306 PolarHBondContact O-N 3.39Å; Y303-I306 VanDerWaalsContact O-N 3.11Å; Y303-L307 HydrophobicContact CD1-CD1 3.98Å; Y303-L307 HydrophobicContact CD2-CD1 4.41Å; Y303-L307 HydrophobicContact CD2-CG 4.28Å; Y303-L307 HydrophobicContact CE1-CD1 3.69Å; Y303-L307 HydrophobicContact CE1-CG 4.42Å; Y303-L307 HydrophobicContact CE2-CD1 4.13Å; Y303-L307 HydrophobicContact CE2-CD2 4.03Å; Y303-L307 HydrophobicContact CE2-CG 3.96Å; Y303-L307 HydrophobicContact CG-CD1 4.33Å; Y303-L307 WeakPolarHBondContact O-CG 3.2Å; Y303-L307 PolarHBondContact O-N 2.72Å
304L93Very high84.8Confident12 Ų1285.7 Ų85.76%0.06340%0.404CS..Hα-helixtrans-58-42.8175.4-174.566.9000111.1L258 C261 L262 L265 L300 L301 I306 L307 F308L258-L304 HydrophobicContact CD2-CD1 4.49Å; L258-L304 HydrophobicContact CG-CD1 3.92Å; C261-L304 HydrophobicContact CB-CD1 4.38Å; L262-L304 HydrophobicContact CD2-CD1 4.06Å; L262-L304 HydrophobicContact CD2-CD2 3.79Å; L262-L304 HydrophobicContact CG-CD1 4.14Å; L265-L304 HydrophobicContact CD1-CD2 3.86Å; L300-L304 WeakPolarHBondContact O-CB 3.39Å; L300-L304 PolarHBondContact O-N 3.49Å; L301-L304 WeakPolarHBondContact O-CB 3.41Å; L301-L304 PolarHBondContact O-N 3.18Å; L304-I306 VanDerWaalsContact C-N 3.35Å; L304-I306 PolarHBondContact O-N 3.03Å; L304-L307 PolarHBondContact O-N 2.85Å; L304-F308 HydrophobicContact CD1-CD2 4.26Å; L304-F308 HydrophobicContact CD1-CE2 3.82Å; L304-F308 HydrophobicContact CD2-CE2 4.15Å; L304-F308 HydrophobicContact CG-CD2 3.98Å; L304-F308 HydrophobicContact CG-CE2 3.72Å; L304-F308 VanDerWaalsContact O-CD2 3.27Å; L304-F308 WeakPolarHBondContact O-CD2 3.22Å; L304-F308 PolarHBondContact O-N 3.5Å
305H91.2Very high82.3Confident97 Ų9780.9 Ų80.945%0.44939%0.394SS..Hα-helixtrans-59.3-43.6174.6-72.8-52.8000112.4L301 D302 Y303 L307 F308 H309L301-H305 PolarHBondContact O-CD2 2.89Å; L301-H305 PolarHBondContact O-N 3.05Å; D302-H305 PolarHBondContact O-N 3.03Å; Y303-H305 VanDerWaalsContact C-N 3.29Å; Y303-H305 PolarHBondContact O-N 3.26Å; H305-L307 VanDerWaalsContact C-N 3.32Å; H305-L307 PolarHBondContact O-N 3Å; H305-F308 PolarHBondContact O-N 3.24Å; H305-H309 PolarHBondContact O-CD2 2.98Å; H305-H309 PolarHBondContact O-N 3.43Å
306I91.4Very high79.3Confident86 Ų8679 Ų7944%0.44140%0.396SS..Hα-helixtrans-60.2-43.4175.5-66.5165.3000110.8D302 Y303 L304 F308 H309 Q310D302-I306 WeakPolarHBondContact O-CG1 3.34Å; D302-I306 PolarHBondContact O-N 3.3Å; Y303-I306 WeakPolarHBondContact O-CB 3.21Å; Y303-I306 PolarHBondContact O-N 3.39Å; Y303-I306 VanDerWaalsContact O-N 3.11Å; L304-I306 VanDerWaalsContact C-N 3.35Å; L304-I306 PolarHBondContact O-N 3.03Å; I306-F308 PolarHBondContact O-N 3.01Å; I306-H309 PolarHBondContact O-N 3.32Å; I306-Q310 HydrophobicContact CG2-CG 4.27Å; I306-Q310 WeakPolarHBondContact O-CG 3.16Å; I306-Q310 PolarHBondContact O-N 2.79Å
307L90.8Very high76.3Confident1 Ų182.9 Ų82.91%0.00543%0.429CS..Hα-helixtrans-65.3-37.5-179.3-68.8170000112.9R257 L258 C261 Y303 L304 H305 Q310 N311R257-L307 HydrophobicContact CB-CD1 4.09Å; R257-L307 HydrophobicContact CB-CD2 3.88Å; L258-L307 HydrophobicContact CB-CB 4.36Å; L258-L307 HydrophobicContact CB-CD1 4.4Å; C261-L307 HydrophobicContact CB-CD1 4.18Å; Y303-L307 HydrophobicContact CD1-CD1 3.98Å; Y303-L307 HydrophobicContact CD2-CD1 4.41Å; Y303-L307 HydrophobicContact CD2-CG 4.28Å; Y303-L307 HydrophobicContact CE1-CD1 3.69Å; Y303-L307 HydrophobicContact CE1-CG 4.42Å; Y303-L307 HydrophobicContact CE2-CD1 4.13Å; Y303-L307 HydrophobicContact CE2-CD2 4.03Å; Y303-L307 HydrophobicContact CE2-CG 3.96Å; Y303-L307 HydrophobicContact CG-CD1 4.33Å; Y303-L307 WeakPolarHBondContact O-CG 3.2Å; Y303-L307 PolarHBondContact O-N 2.72Å; L304-L307 PolarHBondContact O-N 2.85Å; H305-L307 VanDerWaalsContact C-N 3.32Å; H305-L307 PolarHBondContact O-N 3Å; L307-Q310 PolarHBondContact O-N 3.41Å; L307-N311 PolarHBondContact O-N 3.23Å; L307-N311 VanDerWaalsContact O-N 3.12Å; L307-N311 PolarHBondContact O-ND2 3.38Å
308F86.2Confident73.2Confident34 Ų3487 Ų8715%0.14945%0.446CS..Hα-helixtrans-63.1-40.1172.4-85.3-71.4000112.1L258 L304 H305 I306 N311 L387 E388 V391L258-F308 HydrophobicContact CD1-CD1 3.94Å; L258-F308 HydrophobicContact CD1-CD2 4.23Å; L258-F308 HydrophobicContact CD1-CE1 3.78Å; L258-F308 HydrophobicContact CD1-CE2 4.08Å; L258-F308 HydrophobicContact CD1-CG 4.15Å; L258-F308 HydrophobicContact CD1-CZ 3.84Å; L258-F308 HydrophobicContact CD2-CZ 4.39Å; L258-F308 HydrophobicContact CG-CZ 4.43Å; L304-F308 HydrophobicContact CD1-CD2 4.26Å; L304-F308 HydrophobicContact CD1-CE2 3.82Å; L304-F308 HydrophobicContact CD2-CE2 4.15Å; L304-F308 HydrophobicContact CG-CD2 3.98Å; L304-F308 HydrophobicContact CG-CE2 3.72Å; L304-F308 VanDerWaalsContact O-CD2 3.27Å; L304-F308 WeakPolarHBondContact O-CD2 3.22Å; L304-F308 PolarHBondContact O-N 3.5Å; H305-F308 PolarHBondContact O-N 3.24Å; I306-F308 PolarHBondContact O-N 3.01Å; F308-N311 CarbonylContact O-C 3.58Å; F308-N311 PolarHBondContact O-N 2.97Å; F308-L387 HydrophobicContact CE1-CB 4.32Å; F308-L387 HydrophobicContact CZ-CB 3.66Å; F308-L387 HydrophobicContact CZ-CD1 4.28Å; F308-E388 HydrophobicContact CE1-CG 3.92Å; F308-V391 HydrophobicContact CD1-CG2 4.26Å; F308-V391 HydrophobicContact CE1-CG2 4.34Å
309H82.6Confident70.1Confident157 Ų15788.9 Ų88.973%0.72746%0.457SS*.Hα-helixtrans-73.4-27.4177.7-71.7-60.1000113.8H305 I306H305-H309 PolarHBondContact O-CD2 2.98Å; H305-H309 PolarHBondContact O-N 3.43Å; I306-H309 PolarHBondContact O-N 3.32Å
310Q79.1Confident67.1Low107 Ų10792.7 Ų92.750%0.548%0.477SS..Hα-helixtrans-79.5-19.8175.5-72.3179.1-2.800113.3I306 L307 P312I306-Q310 HydrophobicContact CG2-CG 4.27Å; I306-Q310 WeakPolarHBondContact O-CG 3.16Å; I306-Q310 PolarHBondContact O-N 2.79Å; L307-Q310 PolarHBondContact O-N 3.41Å; Q310-P312 WeakPolarHBondContact O-CD 3.37Å
311N66.5Low63.9Low30 Ų3099.8 Ų99.816%0.1651%0.51CS..SBendtrans-11068.8174.3-68.9-42.9000110.7N254 L307 F308 N313N254-N311 PolarHBondContact O-ND2 2.78Å; N254-N311 VanDerWaalsContact O-ND2 3.1Å; L307-N311 PolarHBondContact O-N 3.23Å; L307-N311 VanDerWaalsContact O-N 3.12Å; L307-N311 PolarHBondContact O-ND2 3.38Å; F308-N311 CarbonylContact O-C 3.58Å; F308-N311 PolarHBondContact O-N 2.97Å; N311-N313 PolarHBondContact O-N 2.83Å
312P51Low60.9Low106 Ų106104.5 Ų104.569%0.68854%0.535SS*.  trans-59.7129.817224.9-30.6000109.4Q310 E314Q310-P312 WeakPolarHBondContact O-CD 3.37Å; P312-E314 PolarHBondContact O-N 3.43Å
313N50.8Low58Low64 Ų64106.5 Ų106.534%0.34255%0.55SS.*  trans-52.9132.8179.2-74.4-52.3000110.8N311 S315 V392N311-N313 PolarHBondContact O-N 2.83Å; N313-S315 PolarHBondContact O-N 3.23Å; N313-V392 HydrophobicContact CB-CG2 4.2Å; N313-V392 WeakPolarHBondContact ND2-CG2 3.19Å
314E45.7Very low54.9Low182 Ų182111.2 Ų111.285%0.8558%0.575SS**SBendtrans-72.947.1165.1-71.6-179.915900110.8P312P312-E314 PolarHBondContact O-N 3.43Å
315S39.2Very low52.1Low81 Ų81118.7 Ų118.757%0.56661%0.61SS**  trans-10610.5174.764.90000113.7N313N313-S315 PolarHBondContact O-N 3.23Å
316S33Very low49.5Very low90 Ų90119.3 Ų119.363%0.62962%0.622SS**SBendtrans-87.7111.2156.957.40000108.7K318S316-K318 PolarHBondContact O-N 3.23Å
317S30.6Very low46.9Very low116 Ų116123.6 Ų123.681%0.81164%0.64SS**  trans-22.696.4159.756.20000113.1
318K31.9Very low44.5Very low191 Ų191132.6 Ų132.683%0.8368%0.679SS**  trans-102.5109146.9-75.7-171.4175.3-175.20104.4S316 E320S316-K318 PolarHBondContact O-N 3.23Å; K318-E320 PolarHBondContact O-N 2.86Å
319E30.2Very low42.4Very low171 Ų171137.3 Ų137.380%0.79970%0.702SS**  trans-34.3139.4156.5-66171.6157.100108.2E321E319-E321 PolarHBondContact O-N 3.25Å
320E32.9Very low40.6Very low195 Ų195132 Ų13291%0.91169%0.686SS**  trans-5775.9164.1-67.1173.8159.200107.8K318 N322K318-E320 PolarHBondContact O-N 2.86Å; E320-N322 PolarHBondContact O-N 2.97Å; E320-N322 VanDerWaalsContact O-N 3.1Å
321E30.6Very low39Very low156 Ų156136.6 Ų136.673%0.72970%0.699SS**  trans-57.7116.9155.8-88.3-173.2155.500103.5E319 V323E319-E321 PolarHBondContact O-N 3.25Å; E321-V323 PolarHBondContact O-N 3.24Å
322N31Very low38.2Very low161 Ų161139.4 Ų139.486%0.86171%0.709SS**  trans-49.287.4163-83.5-56000107.6E320 E324E320-N322 PolarHBondContact O-N 2.97Å; E320-N322 VanDerWaalsContact O-N 3.1Å; N322-E324 PolarHBondContact O-N 2.94Å
323V36.3Very low38.2Very low122 Ų122138.2 Ų138.274%0.73970%0.704SS**  trans-70.494.5165.9-179.90000103.4E321 E325E321-V323 PolarHBondContact O-N 3.24Å; V323-E325 PolarHBondContact O-N 2.88Å
324E28.6Very low38.5Very low177 Ų177143.4 Ų143.483%0.82773%0.731SS**  trans-42.6118.8162-81.3-175.2152.600107.4N322 P326N322-E324 PolarHBondContact O-N 2.94Å; E324-P326 WeakPolarHBondContact O-CD 3.4Å; E324-P326 VanDerWaalsContact O-N 3.08Å
325E35.2Very low39.8Very low168 Ų168139.3 Ų139.379%0.78571%0.714SS**  trans-45.8118.7175-132.9180-175.300107.7V323 Q327V323-E325 PolarHBondContact O-N 2.88Å; E325-Q327 PolarHBondContact O-N 2.86Å
326P35.4Very low41.8Very low110 Ų110136.6 Ų136.671%0.71469%0.693SS**  trans-6792.7179.318.8-22.6000108.3E324 K328E324-P326 WeakPolarHBondContact O-CD 3.4Å; E324-P326 VanDerWaalsContact O-N 3.08Å; P326-K328 PolarHBondContact O-N 2.79Å
327Q38.1Very low44.6Very low176 Ų176138.7 Ų138.782%0.82270%0.697SS**  trans-64.978.1165-72.9-170.4-7.500108.1E325E325-Q327 PolarHBondContact O-N 2.86Å
328K39.3Very low47.6Very low190 Ų190135 Ų13583%0.82667%0.665SS**  trans-174.557.2162-100.1164.1-155.9-175.30108P326 A330P326-K328 PolarHBondContact O-N 2.79Å; K328-A330 VanDerWaalsContact C-N 3.32Å; K328-A330 PolarHBondContact O-N 2.86Å
329Q43.2Very low50.6Low133 Ų133129.1 Ų129.162%0.62165%0.646SS**  trans-59.6104.5155.6-79.9179-4.200106.4R331Q329-R331 PolarHBondContact O-N 3.05Å
330A43.9Very low53.8Low47 Ų47124 Ų12439%0.38863%0.628SS.*  trans-64.587.8163.700000106.4K328 F332K328-A330 VanDerWaalsContact C-N 3.32Å; K328-A330 PolarHBondContact O-N 2.86Å; A330-F332 VanDerWaalsContact C-N 3.27Å; A330-F332 HydrophobicContact CB-CD2 4.41Å; A330-F332 HydrophobicContact CB-CE2 4.08Å; A330-F332 WeakPolarHBondContact O-CD2 3.41Å; A330-F332 PolarHBondContact O-N 2.97Å
331R46Very low57Low203 Ų203115.2 Ų115.277%0.76659%0.587SS**  trans-61.2101.4161.1-71.9-172.3-178.4-176.90.9104.8Q329 S333Q329-R331 PolarHBondContact O-N 3.05Å; R331-S333 PolarHBondContact O-N 2.85Å
332F50Low60.2Low89 Ų89112.6 Ų112.639%0.3958%0.582SS.*  trans-62137167.5-76.7-92.7000105.3I6 Q10 A330I6-F332 HydrophobicContact CG2-CD2 3.72Å; I6-F332 HydrophobicContact CG2-CE2 3.4Å; I6-F332 HydrophobicContact CG2-CZ 4.26Å; Q10-F332 VanDerWaalsContact OE1-N 3.14Å; Q10-F332 PolarHBondContact OE1-O 2.94Å; A330-F332 VanDerWaalsContact C-N 3.27Å; A330-F332 HydrophobicContact CB-CD2 4.41Å; A330-F332 HydrophobicContact CB-CE2 4.08Å; A330-F332 WeakPolarHBondContact O-CD2 3.41Å; A330-F332 PolarHBondContact O-N 2.97Å
333S50Low63.4Low81 Ų81107.8 Ų107.857%0.56656%0.56SS**  trans-40.5152.6-170.245.10000114.7R331 I335R331-S333 PolarHBondContact O-N 2.85Å; S333-I335 PolarHBondContact O-N 3.06Å; S333-I335 VanDerWaalsContact OG-CD1 3.3Å; S333-I335 WeakPolarHBondContact OG-CD1 3.4Å; S333-I335 WeakPolarHBondContact OG-CG1 3.33Å
334N58.3Low66.3Low172 Ų172106.8 Ų106.892%0.9255%0.548SS*.SBendtrans-51.233.9173.3-62.7-23.8000116.7I336N334-I336 VanDerWaalsContact C-N 3.29Å; N334-I336 PolarHBondContact O-N 3.26Å
335I71.3Confident69.4Low97 Ų97106.6 Ų106.650%0.49754%0.544SS..  trans-66.9-36.4-178.3-62.8170.2000109.8L123 S333L123-I335 HydrophobicContact CD2-CG2 4.46Å; S333-I335 PolarHBondContact O-N 3.06Å; S333-I335 VanDerWaalsContact OG-CD1 3.3Å; S333-I335 WeakPolarHBondContact OG-CD1 3.4Å; S333-I335 WeakPolarHBondContact OG-CG1 3.33Å
336I82.9Confident72.2Confident24 Ų2498.9 Ų98.912%0.12351%0.508CS..SBendtrans-117.8120.9-174.3-51.1177.4000109.8A20 L123 F124 L220 N334 W338A20-I336 HydrophobicContact CB-CG2 3.23Å; L123-I336 HydrophobicContact CB-CD1 3.88Å; L123-I336 HydrophobicContact CD2-CD1 4.27Å; L123-I336 HydrophobicContact CD2-CG1 4.27Å; L123-I336 HydrophobicContact CG-CD1 4.48Å; F124-I336 HydrophobicContact CE1-CD1 4.07Å; F124-I336 HydrophobicContact CZ-CD1 4.17Å; L220-I336 HydrophobicContact CD2-CD1 4.25Å; L220-I336 HydrophobicContact CD2-CG2 4.48Å; N334-I336 VanDerWaalsContact C-N 3.29Å; N334-I336 PolarHBondContact O-N 3.26Å; I336-W338 HydrophobicContact CD1-CZ2 4.18Å; I336-W338 HydrophobicContact CG2-CD2 3.85Å; I336-W338 VanDerWaalsContact CG2-CE2 3.47Å; I336-W338 HydrophobicContact CG2-CG 4.17Å; I336-W338 HydrophobicContact CG2-CZ2 3.9Å; I336-W338 PolarHBondContact O-N 3.15Å
337N89.9Confident74.9Confident134 Ų13498.6 Ų98.672%0.71750%0.501SS*.  trans-85.991.6174.2-17426.7000110.7
338W93.9Very high77.5Confident37 Ų3793.8 Ų93.814%0.1449%0.486CS..  trans-79.3125.6177.5-66.6109000111.9F11 Y18 A20 F124 L155 L220 F222 I336F11-W338 HydrophobicContact CD1-CD2 4.44Å; F11-W338 HydrophobicContact CD1-CG 4.25Å; F11-W338 HydrophobicContact CE1-CB 4.37Å; F11-W338 AromaticContact CE1-CD1 3.99Å; F11-W338 AromaticContact CE1-CD2 3.5Å; F11-W338 HydrophobicContact CE1-CD2 3.5Å; F11-W338 VanDerWaalsContact CE1-CD2 3.5Å; F11-W338 AromaticContact CE1-CE2 3.62Å; F11-W338 AromaticContact CE1-CE3 3.89Å; F11-W338 HydrophobicContact CE1-CE3 3.89Å; F11-W338 AromaticContact CE1-CG 3.73Å; F11-W338 HydrophobicContact CE1-CG 3.73Å; F11-W338 HydrophobicContact CE1-CH2 4.37Å; F11-W338 HydrophobicContact CE1-CZ2 4.07Å; F11-W338 HydrophobicContact CE1-CZ3 4.3Å; F11-W338 AromaticContact CE1-NE1 3.93Å; F11-W338 HydrophobicContact CZ-CD2 4.15Å; F11-W338 AromaticContact CZ-CE2 3.81Å; F11-W338 HydrophobicContact CZ-CH2 4.22Å; F11-W338 AromaticContact CZ-CZ2 3.86Å; F11-W338 HydrophobicContact CZ-CZ2 3.86Å; Y18-W338 HydrophobicContact CD1-CB 4.05Å; Y18-W338 HydrophobicContact CG-CB 4.39Å; A20-W338 HydrophobicContact CB-CD2 4.11Å; A20-W338 HydrophobicContact CB-CE3 3.75Å; A20-W338 HydrophobicContact CB-CZ3 3.98Å; F124-W338 HydrophobicContact CE1-CZ2 4.23Å; F124-W338 HydrophobicContact CZ-CZ2 4.09Å; L155-W338 HydrophobicContact CD2-CH2 4.37Å; L220-W338 HydrophobicContact CD2-CH2 3.28Å; L220-W338 HydrophobicContact CD2-CZ2 3.63Å; L220-W338 HydrophobicContact CD2-CZ3 4.11Å; L220-W338 HydrophobicContact CG-CH2 3.56Å; L220-W338 HydrophobicContact CG-CZ2 4.41Å; L220-W338 HydrophobicContact CG-CZ3 4.09Å; F222-W338 HydrophobicContact CB-CH2 3.97Å; F222-W338 HydrophobicContact CB-CZ3 3.84Å; I336-W338 HydrophobicContact CD1-CZ2 4.18Å; I336-W338 HydrophobicContact CG2-CD2 3.85Å; I336-W338 VanDerWaalsContact CG2-CE2 3.47Å; I336-W338 HydrophobicContact CG2-CG 4.17Å; I336-W338 HydrophobicContact CG2-CZ2 3.9Å; I336-W338 PolarHBondContact O-N 3.15Å
339T96.3Very high80.2Confident68 Ų6885.7 Ų85.742%0.41745%0.452SS..EExtended strand (participates in β ladder)trans-110.1126173.6-55.10000109.3Y18 V19Y18-T339 WeakPolarHBondContact CA-O 3.3Å; V19-T339 PolarHBondContact N-O 3.1Å; V19-T339 PolarHBondContact O-N 3.19Å
340P97.5Very high82.7Confident64 Ų6480.4 Ų80.442%0.41643%0.427SS..EExtended strand (participates in β ladder)trans-64.1138.7175.726-32.4000110Y18Y18-P340 VanDerWaalsContact CD1-CA 3.46Å; Y18-P340 HydrophobicContact CD1-CB 3.93Å; Y18-P340 VanDerWaalsContact CD1-N 3.35Å; Y18-P340 HydrophobicContact CE1-CB 3.58Å; Y18-P340 HydrophobicContact CE1-CG 4.16Å
341L98.4Very high85Confident10 Ų1083.6 Ų83.65%0.05244%0.442CS..  trans-67.1154.9171.5-86.363.8000110.4H16 P17 V19 L167 Y211 I213 L221H16-L341 PolarHBondContact NE2-O 2.98Å; P17-L341 HydrophobicContact CB-CD2 4.23Å; P17-L341 HydrophobicContact CG-CB 4.21Å; P17-L341 HydrophobicContact CG-CD2 4.27Å; P17-L341 PolarHBondContact O-N 2.63Å; V19-L341 HydrophobicContact CB-CD1 3.86Å; V19-L341 HydrophobicContact CG1-CD1 3.86Å; L167-L341 HydrophobicContact CD1-CD2 3.58Å; Y211-L341 HydrophobicContact CD1-CB 4.21Å; I213-L341 HydrophobicContact CB-CD2 3.93Å; I213-L341 HydrophobicContact CB-CG 4.25Å; I213-L341 HydrophobicContact CG2-CD2 3.76Å; L221-L341 HydrophobicContact CD1-CD1 4.15Å; L221-L341 HydrophobicContact CD1-CD2 4.36Å
342T98.2Very high87.1Confident102 Ų10276.2 Ų76.263%0.62642%0.417SS*.  trans-115.1152.9177.554.50000109.9Y211Y211-T342 WeakPolarHBondContact CA-O 3.29Å; Y211-T342 VanDerWaalsContact CD1-C 3.41Å
343S98.1Very high88.9Confident59 Ų5972.7 Ų72.741%0.41340%0.404SS..  trans-87.5154.4-179.654.60000112.5P210P210-S343 CarbonylContact O-C 3.01Å; P210-S343 WeakPolarHBondContact O-CA 3.45Å; P210-S343 WeakPolarHBondContact O-CB 3.49Å
344E97.3Very high90.4Very high102 Ų10276.6 Ų76.648%0.47741%0.413SS..  trans-132.1168175.9-77.1-72177.500109.8P210 P212 L349P210-E344 VanDerWaalsContact CD-O 3.29Å; P210-E344 WeakPolarHBondContact CD-O 3.42Å; P210-E344 VanDerWaalsContact CG-O 3.3Å; P210-E344 WeakPolarHBondContact CG-O 3.47Å; P210-E344 PolarHBondContact O-N 3.3Å; P212-E344 HydrophobicContact CG-CB 3.88Å; P212-E344 HydrophobicContact CG-CG 3.61Å; E344-L349 HydrophobicContact CB-CD1 4.18Å; E344-L349 HydrophobicContact CB-CD2 4.09Å; E344-L349 HydrophobicContact CB-CG 4.27Å; E344-L349 HydrophobicContact CG-CD2 4.48Å
345K94.6Very high91.5Very high172 Ų17273.2 Ų73.275%0.74839%0.392SS*.  trans-80.2138.1173.1-70-176.6178179.80110.2N347 S348K345-N347 PolarHBondContact O-N 3.21Å; K345-N347 VanDerWaalsContact O-N 3.12Å; K345-S348 PolarHBondContact O-N 2.91Å; K345-S348 PolarHBondContact O-OG 2.93Å
346L93.7Very high91.7Very high7 Ų774.6 Ų74.64%0.03740%0.4CS..Hα-helixtrans-49.2-44.6178.1-171.695.4000113.1F168 I205 L206 P210 S348 L349 F350 I352F168-L346 HydrophobicContact CE1-CD1 4.08Å; F168-L346 HydrophobicContact CZ-CD1 4.48Å; I205-L346 HydrophobicContact CG1-CD1 4.09Å; I205-L346 HydrophobicContact CG1-CD2 4.16Å; I205-L346 HydrophobicContact CG2-CD2 3.89Å; L206-L346 HydrophobicContact CD2-CD2 4.03Å; P210-L346 HydrophobicContact CG-CB 4.39Å; L346-S348 PolarHBondContact O-N 3.29Å; L346-L349 WeakPolarHBondContact O-CB 3.37Å; L346-L349 PolarHBondContact O-N 3.34Å; L346-F350 HydrophobicContact CD1-CD2 3.91Å; L346-F350 HydrophobicContact CD1-CE2 3.82Å; L346-F350 HydrophobicContact CG-CD2 4Å; L346-F350 HydrophobicContact CG-CE2 4.41Å; L346-F350 PolarHBondContact O-N 3.05Å; L346-I352 HydrophobicContact CD2-CD1 4.27Å
347N91.7Very high90.7Very high104 Ų10475.6 Ų75.656%0.55641%0.412SS*.Hα-helixtrans-68.3-16-177.4-66.2-5.6000114.4L206 K345 L349L206-N347 VanDerWaalsContact CD2-OD1 3.26Å; L206-N347 WeakPolarHBondContact CD2-OD1 3.26Å; K345-N347 PolarHBondContact O-N 3.21Å; K345-N347 VanDerWaalsContact O-N 3.12Å; N347-L349 VanDerWaalsContact C-N 3.31Å
348S93.7Very high89.3Confident74 Ų7474.9 Ų74.952%0.51741%0.412SS..Hα-helixtrans-82.5-12.917166.50000112.4K345 L346K345-S348 PolarHBondContact O-N 2.91Å; K345-S348 PolarHBondContact O-OG 2.93Å; L346-S348 PolarHBondContact O-N 3.29Å
349L95.7Very high87.3Confident21 Ų2178 Ų7811%0.1144%0.44CS..Hα-helixtrans-102.8-30.9-173.4-58.1-178.4000113.5R164 I166 P210 P212 E344 L346 N347R164-L349 PolarHBondContact NH1-O 3.34Å; R164-L349 VanDerWaalsContact NH1-O 3.17Å; R164-L349 PolarHBondContact NH2-O 2.83Å; I166-L349 HydrophobicContact CG2-CD1 4.12Å; P210-L349 HydrophobicContact CB-CD1 3.58Å; P210-L349 HydrophobicContact CG-CD1 3.55Å; P212-L349 HydrophobicContact CB-CD1 4.08Å; P212-L349 HydrophobicContact CB-CD2 3.9Å; P212-L349 HydrophobicContact CG-CD1 4.07Å; P212-L349 HydrophobicContact CG-CD2 3.77Å; E344-L349 HydrophobicContact CB-CD1 4.18Å; E344-L349 HydrophobicContact CB-CD2 4.09Å; E344-L349 HydrophobicContact CB-CG 4.27Å; E344-L349 HydrophobicContact CG-CD2 4.48Å; L346-L349 WeakPolarHBondContact O-CB 3.37Å; L346-L349 PolarHBondContact O-N 3.34Å; N347-L349 VanDerWaalsContact C-N 3.31Å
350F94.4Very high85.2Confident21 Ų2181 Ų819%0.09245%0.453CS..  trans-127.2142.6-173.2-59.1-83.3000111.9I166 F194 P197 F230 L346 I352I166-F350 HydrophobicContact CB-CZ 4.38Å; I166-F350 HydrophobicContact CD1-CE1 3.51Å; I166-F350 HydrophobicContact CD1-CE2 3.8Å; I166-F350 HydrophobicContact CD1-CZ 3.1Å; I166-F350 HydrophobicContact CG1-CZ 4.29Å; I166-F350 HydrophobicContact CG2-CE2 4.26Å; I166-F350 HydrophobicContact CG2-CZ 4.1Å; F194-F350 HydrophobicContact CB-CE1 4.18Å; F194-F350 HydrophobicContact CB-CZ 4.5Å; F194-F350 AromaticContact CD1-CE1 3.99Å; F194-F350 HydrophobicContact CD1-CE1 3.99Å; F194-F350 HydrophobicContact CD1-CE2 4.1Å; F194-F350 AromaticContact CD1-CZ 3.55Å; F194-F350 HydrophobicContact CD1-CZ 3.55Å; F194-F350 HydrophobicContact CE1-CZ 4.3Å; F194-F350 HydrophobicContact CG-CZ 4.49Å; F194-F350 WeakPolarHBondContact O-CD1 3.12Å; F194-F350 WeakPolarHBondContact O-CE1 3.39Å; P197-F350 HydrophobicContact CG-CB 3.83Å; P197-F350 HydrophobicContact CG-CD1 3.97Å; P197-F350 HydrophobicContact CG-CD2 4.39Å; P197-F350 HydrophobicContact CG-CG 3.82Å; F230-F350 HydrophobicContact CD1-CE1 4.21Å; F230-F350 HydrophobicContact CE1-CE1 4.32Å; L346-F350 HydrophobicContact CD1-CD2 3.91Å; L346-F350 HydrophobicContact CD1-CE2 3.82Å; L346-F350 HydrophobicContact CG-CD2 4Å; L346-F350 HydrophobicContact CG-CE2 4.41Å; L346-F350 PolarHBondContact O-N 3.05Å; F350-I352 HydrophobicContact CB-CD1 4.14Å
351T92.7Very high83.2Confident115 Ų11583.4 Ų83.471%0.70647%0.467SS*.PPolyproline II helixtrans-70.3126.2157-55.60000107.7L196 P197L196-T351 HydrophobicContact CD1-CG2 4.26Å; P197-T351 WeakPolarHBondContact CD-O 3.3Å
352I90.6Very high81.2Confident47 Ų4787.5 Ų87.524%0.24149%0.492CS..PPolyproline II helixtrans-95.2129.6-179.3-57.2-58.2000109P197 C199 L346 F350P197-I352 HydrophobicContact CB-CD1 3.93Å; P197-I352 HydrophobicContact CG-CD1 4.27Å; P197-I352 CarbonylContact O-C 3.56Å; P197-I352 WeakPolarHBondContact O-CA 3.44Å; P197-I352 WeakPolarHBondContact O-CG2 3.45Å; C199-I352 HydrophobicContact CB-CG2 3.96Å; C199-I352 VanDerWaalsContact SG-CG2 3.52Å; L346-I352 HydrophobicContact CD2-CD1 4.27Å; F350-I352 HydrophobicContact CB-CD1 4.14Å
353S88.7Confident80Confident15 Ų1589.8 Ų89.811%0.10550%0.5CS..BIsolated β-bridgetrans-72.5132.9169.6171.80000110.5P197 E355P197-S353 PolarHBondContact O-N 2.76Å; S353-E355 PolarHBondContact OG-N 3Å
354E81.3Confident79.2Confident163 Ų16391.9 Ų91.976%0.76251%0.511SS*.  trans-99.93.7174.4-62-172.5174.300112.7K200 D356K200-E354 WeakPolarHBondContact CE-O 3.47Å; K200-E354 PolarHBondContact NZ-O 2.68Å; E354-D356 PolarHBondContact O-N 3.38Å
355E79.9Confident78.6Confident102 Ų10290.8 Ų90.848%0.47751%0.512SS..PPolyproline II helixtrans-56.8136177.2-70-177.6166.500110.2N198 S353 A357N198-E355 PolarHBondContact ND2-O 3.09Å; S353-E355 PolarHBondContact OG-N 3Å; E355-A357 PolarHBondContact O-N 2.67Å
356D75.7Confident78.3Confident126 Ų12686.1 Ų86.167%0.67450%0.496SS*.PPolyproline II helixtrans-61.6135.6174.8-70-38.5000109.2K200 E354 T358K200-D356 IonicContact NZ-OD1 3.92Å; K200-D356 PolarHBondContact NZ-OD1 2.99Å; E354-D356 PolarHBondContact O-N 3.38Å; D356-T358 PolarHBondContact O-N 2.73Å; D356-T358 VanDerWaalsContact O-N 3.13Å
357A62.8Low78Confident44 Ų4488.1 Ų88.136%0.36450%0.504SS..PPolyproline II helixtrans-56.7124.8167.600000106.7K201 E355 S359K201-A357 HydrophobicContact CB-CB 4.38Å; E355-A357 PolarHBondContact O-N 2.67Å; A357-S359 VanDerWaalsContact C-N 3.33Å; A357-S359 PolarHBondContact O-N 2.75Å
358T60.1Low77.9Confident119 Ų11987.5 Ų87.573%0.7350%0.498SS*.  trans-52.7105.5169.647.70000106.6D356 D360D356-T358 PolarHBondContact O-N 2.73Å; D356-T358 VanDerWaalsContact O-N 3.13Å; T358-D360 PolarHBondContact O-N 2.79Å
359S52Low77.7Confident103 Ų10388.4 Ų88.472%0.7249%0.494SS*.  trans-7959.3-172.169.70000109.4A357 V361A357-S359 VanDerWaalsContact C-N 3.33Å; A357-S359 PolarHBondContact O-N 2.75Å; S359-V361 PolarHBondContact O-N 2.9Å
360D51.2Low77.6Confident131 Ų13190.8 Ų90.870%0.70151%0.506SS*.  trans-78.283.4160.6-69.7-24.8000105.1T358 V362T358-D360 PolarHBondContact O-N 2.79Å; D360-V362 HydrophobicContact CB-CG2 3.96Å; D360-V362 PolarHBondContact O-N 3.15Å
361V55.5Low77.5Confident115 Ų11589.8 Ų89.870%0.69750%0.502SS*.  trans-64.482.4162.4-178.20000105.7S359 N363S359-V361 PolarHBondContact O-N 2.9Å; V361-N363 PolarHBondContact O-N 3Å; V361-N363 VanDerWaalsContact O-N 3.12Å
362V57.5Low77.5Confident96 Ų9684.6 Ų84.658%0.58247%0.47SS*.  trans-75.6101.3172.8-167.20000105.7D360 T364D360-V362 HydrophobicContact CB-CG2 3.96Å; D360-V362 PolarHBondContact O-N 3.15Å; V362-T364 WeakPolarHBondContact CG1-O 3.39Å; V362-T364 PolarHBondContact O-N 3.47Å; V362-T364 VanDerWaalsContact O-N 3.13Å
363N72Confident77.8Confident149 Ų14984.7 Ų84.780%0.79748%0.478SS*.SBendtrans-64.5-12179.5-80.5-22.6000113.5V361V361-N363 PolarHBondContact O-N 3Å; V361-N363 VanDerWaalsContact O-N 3.12Å
364T82.6Confident78.1Confident103 Ų10389.1 Ų89.163%0.63250%0.495SS*.SBendtrans-116.6122.8-179.9-51.70000109.1V362 N366V362-T364 WeakPolarHBondContact CG1-O 3.39Å; V362-T364 PolarHBondContact O-N 3.47Å; V362-T364 VanDerWaalsContact O-N 3.13Å; T364-N366 PolarHBondContact O-N 3.44Å
365P84.8Confident78.8Confident79 Ų7981.4 Ų81.451%0.51346%0.459SS..  trans-61.1129.8174.926.7-33.2000109.5Q369 I370P365-Q369 VanDerWaalsContact CA-OE1 3.3Å; P365-Q369 HydrophobicContact CB-CB 4.25Å; P365-I370 HydrophobicContact CB-CG1 4.2Å; P365-I370 HydrophobicContact CG-CG1 4.36Å
366N87.5Confident79.6Confident75 Ų7578.9 Ų78.940%0.40145%0.446SS..  trans-73.1170.2173.772.526.2000110.5T364 E368 Q369 I370T364-N366 PolarHBondContact O-N 3.44Å; N366-E368 VanDerWaalsContact C-N 3.33Å; N366-E368 PolarHBondContact O-N 2.9Å; N366-E368 PolarHBondContact OD1-N 2.85Å; N366-E368 VanDerWaalsContact OD1-N 3.17Å; N366-Q369 PolarHBondContact O-N 2.76Å; N366-Q369 WeakPolarHBondContact OD1-CB 3.42Å; N366-Q369 VanDerWaalsContact OD1-CG 3.29Å; N366-Q369 WeakPolarHBondContact OD1-CG 3.29Å; N366-Q369 PolarHBondContact OD1-N 2.94Å; N366-I370 WeakPolarHBondContact O-CG1 3.27Å; N366-I370 PolarHBondContact O-N 3.37Å
367F87.9Confident80.5Confident48 Ų4874.4 Ų74.421%0.21142%0.424CS..Hα-helixtrans-57.6-44.2-177.9178.2-105.1000112.6L271 Y274 Q369 I370 V371L271-F367 HydrophobicContact CD2-CE1 4.14Å; Y274-F367 VanDerWaalsContact CB-CZ 3.42Å; Y274-F367 AromaticContact CD1-CD1 3.74Å; Y274-F367 HydrophobicContact CD1-CD1 3.74Å; Y274-F367 AromaticContact CD1-CE1 3.67Å; Y274-F367 HydrophobicContact CD1-CE1 3.67Å; Y274-F367 HydrophobicContact CD1-CG 4.48Å; Y274-F367 HydrophobicContact CD1-CZ 4.38Å; Y274-F367 HydrophobicContact CD2-CB 4.22Å; Y274-F367 AromaticContact CD2-CD1 3.49Å; Y274-F367 HydrophobicContact CD2-CD1 3.49Å; Y274-F367 VanDerWaalsContact CD2-CD1 3.49Å; Y274-F367 AromaticContact CD2-CD2 3.49Å; Y274-F367 HydrophobicContact CD2-CD2 3.49Å; Y274-F367 VanDerWaalsContact CD2-CD2 3.49Å; Y274-F367 AromaticContact CD2-CE1 3.6Å; Y274-F367 HydrophobicContact CD2-CE1 3.6Å; Y274-F367 AromaticContact CD2-CE2 3.61Å; Y274-F367 HydrophobicContact CD2-CE2 3.61Å; Y274-F367 AromaticContact CD2-CG 3.44Å; Y274-F367 HydrophobicContact CD2-CG 3.44Å; Y274-F367 VanDerWaalsContact CD2-CG 3.44Å; Y274-F367 AromaticContact CD2-CZ 3.68Å; Y274-F367 HydrophobicContact CD2-CZ 3.68Å; Y274-F367 AromaticContact CE1-CD1 3.8Å; Y274-F367 HydrophobicContact CE1-CD1 3.8Å; Y274-F367 HydrophobicContact CE1-CE1 4.22Å; Y274-F367 HydrophobicContact CE1-CG 4.39Å; Y274-F367 HydrophobicContact CE2-CB 3.6Å; Y274-F367 AromaticContact CE2-CD1 3.58Å; Y274-F367 HydrophobicContact CE2-CD1 3.58Å; Y274-F367 AromaticContact CE2-CD2 3.76Å; Y274-F367 HydrophobicContact CE2-CD2 3.76Å; Y274-F367 HydrophobicContact CE2-CE1 4.18Å; Y274-F367 HydrophobicContact CE2-CE2 4.35Å; Y274-F367 AromaticContact CE2-CG 3.34Å; Y274-F367 HydrophobicContact CE2-CG 3.34Å; Y274-F367 AromaticContact CG-CD1 3.58Å; Y274-F367 HydrophobicContact CG-CD1 3.58Å; Y274-F367 HydrophobicContact CG-CD2 4.24Å; Y274-F367 AromaticContact CG-CE1 3.32Å; Y274-F367 HydrophobicContact CG-CE1 3.32Å; Y274-F367 HydrophobicContact CG-CE2 4.03Å; Y274-F367 HydrophobicContact CG-CG 4.04Å; Y274-F367 AromaticContact CG-CZ 3.58Å; Y274-F367 HydrophobicContact CG-CZ 3.58Å; Y274-F367 AromaticContact CZ-CD1 3.74Å; Y274-F367 AromaticContact CZ-CG 3.86Å; F367-Q369 VanDerWaalsContact C-N 3.32Å; F367-Q369 PolarHBondContact O-N 2.9Å; F367-I370 WeakPolarHBondContact O-CB 3.16Å; F367-I370 PolarHBondContact O-N 3.37Å; F367-I370 VanDerWaalsContact O-N 3.1Å; F367-V371 HydrophobicContact CD1-CG2 4.05Å; F367-V371 HydrophobicContact CD2-CG2 4.27Å; F367-V371 HydrophobicContact CE1-CG2 3.55Å; F367-V371 HydrophobicContact CE2-CG2 3.79Å; F367-V371 HydrophobicContact CG-CG2 4.39Å; F367-V371 HydrophobicContact CZ-CG2 3.38Å; F367-V371 WeakPolarHBondContact O-CG2 3.36Å; F367-V371 PolarHBondContact O-N 2.96Å
368E89Confident82Confident92 Ų9277.5 Ų77.543%0.4344%0.435SS..Hα-helixtrans-60.4-40.7179.2-57.2-178.4170.600112.3L181 L282 N366 I370 V371 D372L181-E368 HydrophobicContact CD1-CB 4.38Å; L282-E368 HydrophobicContact CD1-CG 4.11Å; L282-E368 HydrophobicContact CD2-CG 3.98Å; N366-E368 VanDerWaalsContact C-N 3.33Å; N366-E368 PolarHBondContact O-N 2.9Å; N366-E368 PolarHBondContact OD1-N 2.85Å; N366-E368 VanDerWaalsContact OD1-N 3.17Å; E368-I370 VanDerWaalsContact C-N 3.3Å; E368-I370 PolarHBondContact O-N 2.68Å; E368-V371 PolarHBondContact O-N 2.98Å; E368-D372 VanDerWaalsContact O-CB 3.26Å; E368-D372 WeakPolarHBondContact O-CB 3.41Å; E368-D372 PolarHBondContact O-N 3.27Å
369Q90.8Very high83.8Confident92 Ų9274.4 Ų74.443%0.4342%0.415SS..Hα-helixtrans-63.9-36.3176.3-72.6171.9-50.700111.8P365 N366 F367 A373P365-Q369 VanDerWaalsContact CA-OE1 3.3Å; P365-Q369 HydrophobicContact CB-CB 4.25Å; N366-Q369 PolarHBondContact O-N 2.76Å; N366-Q369 WeakPolarHBondContact OD1-CB 3.42Å; N366-Q369 VanDerWaalsContact OD1-CG 3.29Å; N366-Q369 WeakPolarHBondContact OD1-CG 3.29Å; N366-Q369 PolarHBondContact OD1-N 2.94Å; F367-Q369 VanDerWaalsContact C-N 3.32Å; F367-Q369 PolarHBondContact O-N 2.9Å; Q369-A373 VanDerWaalsContact O-CB 3.31Å; Q369-A373 WeakPolarHBondContact O-CB 3.47Å; Q369-A373 PolarHBondContact O-N 3.15Å; Q369-A373 VanDerWaalsContact O-N 3.1Å
370I91.9Very high85.9Confident71 Ų7169.8 Ų69.836%0.36438%0.383SS..Hα-helixtrans-68.5-48.4175.9-64168.8000110.1P365 N366 F367 E368 A373 F374P365-I370 HydrophobicContact CB-CG1 4.2Å; P365-I370 HydrophobicContact CG-CG1 4.36Å; N366-I370 WeakPolarHBondContact O-CG1 3.27Å; N366-I370 PolarHBondContact O-N 3.37Å; F367-I370 WeakPolarHBondContact O-CB 3.16Å; F367-I370 PolarHBondContact O-N 3.37Å; F367-I370 VanDerWaalsContact O-N 3.1Å; E368-I370 VanDerWaalsContact C-N 3.3Å; E368-I370 PolarHBondContact O-N 2.68Å; I370-A373 PolarHBondContact O-N 3.12Å; I370-F374 HydrophobicContact CG2-CD2 4.07Å; I370-F374 HydrophobicContact CG2-CE2 3.98Å; I370-F374 WeakPolarHBondContact O-CD2 3.36Å; I370-F374 PolarHBondContact O-N 3.13Å
371V92.8Very high88Confident1 Ų166.1 Ų66.11%0.00636%0.361CS..Hα-helixtrans-61.7-47.3179-177.40000110.8L270 F367 E368 A373 F374 M375L270-V371 HydrophobicContact CB-CG1 4.41Å; L270-V371 HydrophobicContact CB-CG2 4.05Å; L270-V371 HydrophobicContact CD1-CG1 4.33Å; L270-V371 HydrophobicContact CD1-CG2 4.38Å; F367-V371 HydrophobicContact CD1-CG2 4.05Å; F367-V371 HydrophobicContact CD2-CG2 4.27Å; F367-V371 HydrophobicContact CE1-CG2 3.55Å; F367-V371 HydrophobicContact CE2-CG2 3.79Å; F367-V371 HydrophobicContact CG-CG2 4.39Å; F367-V371 HydrophobicContact CZ-CG2 3.38Å; F367-V371 WeakPolarHBondContact O-CG2 3.36Å; F367-V371 PolarHBondContact O-N 2.96Å; E368-V371 PolarHBondContact O-N 2.98Å; V371-A373 VanDerWaalsContact C-N 3.28Å; V371-A373 PolarHBondContact O-N 3.47Å; V371-F374 PolarHBondContact O-N 3.42Å; V371-M375 HydrophobicContact CG1-CE 3.96Å; V371-M375 HydrophobicContact CG1-SD 4.32Å; V371-M375 WeakPolarHBondContact O-CG 3.49Å; V371-M375 PolarHBondContact O-N 2.78Å
372D93.7Very high90Very high6 Ų665.1 Ų65.13%0.03235%0.351CS..Hα-helixtrans-57.8-40.5177.4-174.551000112T179 R180 L181 K191 E368 M375 K376T179-D372 WeakPolarHBondContact CA-OD1 3.49Å; T179-D372 WeakPolarHBondContact CB-OD1 3.07Å; T179-D372 VanDerWaalsContact OG1-CG 3.25Å; T179-D372 PolarHBondContact OG1-OD1 3.3Å; R180-D372 PolarHBondContact N-OD1 3.33Å; L181-D372 HydrophobicContact CD1-CB 3.85Å; L181-D372 HydrophobicContact CG-CB 4.44Å; K191-D372 WeakPolarHBondContact CE-OD2 3.24Å; K191-D372 IonicContact NZ-OD2 3.36Å; K191-D372 PolarHBondContact NZ-OD2 2.92Å; E368-D372 VanDerWaalsContact O-CB 3.26Å; E368-D372 WeakPolarHBondContact O-CB 3.41Å; E368-D372 PolarHBondContact O-N 3.27Å; D372-M375 PolarHBondContact O-N 3Å; D372-K376 WeakPolarHBondContact O-CG 3.43Å; D372-K376 PolarHBondContact O-N 2.83Å; D372-K376 IonicContact OD2-NZ 3.3Å
373A95.4Very high91.8Very high49 Ų4963.5 Ų63.541%0.40534%0.342SS..Hα-helixtrans-63.1-42.6179.300000112.7Q369 I370 V371 M375 K376Q369-A373 VanDerWaalsContact O-CB 3.31Å; Q369-A373 WeakPolarHBondContact O-CB 3.47Å; Q369-A373 PolarHBondContact O-N 3.15Å; Q369-A373 VanDerWaalsContact O-N 3.1Å; I370-A373 PolarHBondContact O-N 3.12Å; V371-A373 VanDerWaalsContact C-N 3.28Å; V371-A373 PolarHBondContact O-N 3.47Å; A373-M375 VanDerWaalsContact C-N 3.28Å; A373-M375 PolarHBondContact O-N 3.17Å; A373-K376 WeakPolarHBondContact O-CB 3.5Å; A373-K376 WeakPolarHBondContact O-CG 3.29Å; A373-K376 PolarHBondContact O-N 3.17Å
374F96Very high92.8Very high108 Ų10856.4 Ų56.447%0.47430%0.304SS..Hα-helixtrans-68.9-27.3177.2-84.3-73.1000113.4V266 L270 I370 V371 K376V266-F374 HydrophobicContact CG2-CB 4.04Å; L270-F374 HydrophobicContact CD1-CB 3.8Å; L270-F374 HydrophobicContact CD1-CD2 3.88Å; L270-F374 HydrophobicContact CD1-CG 4.04Å; I370-F374 HydrophobicContact CG2-CD2 4.07Å; I370-F374 HydrophobicContact CG2-CE2 3.98Å; I370-F374 WeakPolarHBondContact O-CD2 3.36Å; I370-F374 PolarHBondContact O-N 3.13Å; V371-F374 PolarHBondContact O-N 3.42Å; F374-K376 VanDerWaalsContact C-N 3.33Å
375M96.5Very high93.3Very high0 Ų056.3 Ų56.30%030%0.295CS..THydrogen-bonded Turntrans-88.12.4178.5-64-163.6-56.100113.4R180 L181 L183 T263 V266 G267 V371 D372 A373R180-M375 HydrophobicContact CB-CB 3.8Å; R180-M375 HydrophobicContact CB-CE 3.78Å; R180-M375 HydrophobicContact CB-SD 4.4Å; R180-M375 HydrophobicContact CG-CB 4.01Å; R180-M375 WeakPolarHBondContact CG-O 3.43Å; L181-M375 HydrophobicContact CD1-CE 4.47Å; L181-M375 HydrophobicContact CD2-CE 3.34Å; L181-M375 HydrophobicContact CG-CE 3.63Å; L183-M375 HydrophobicContact CD1-SD 4.2Å; L183-M375 HydrophobicContact CD2-SD 4.08Å; T263-M375 HydrophobicContact CG2-CB 4.14Å; T263-M375 HydrophobicContact CG2-CG 4.31Å; T263-M375 HydrophobicContact CG2-SD 4.27Å; V266-M375 HydrophobicContact CG1-CG 4.05Å; G267-M375 VanDerWaalsContact CA-SD 3.54Å; V371-M375 HydrophobicContact CG1-CE 3.96Å; V371-M375 HydrophobicContact CG1-SD 4.32Å; V371-M375 WeakPolarHBondContact O-CG 3.49Å; V371-M375 PolarHBondContact O-N 2.78Å; D372-M375 PolarHBondContact O-N 3Å; A373-M375 VanDerWaalsContact C-N 3.28Å; A373-M375 PolarHBondContact O-N 3.17Å
376K95.5Very high93.7Very high49 Ų4959.3 Ų59.321%0.21330%0.297CS..  trans-58.3135.2-179.9-72.1-68.5-172.5166.30111.2E178 D372 A373 F374 D378 V379 I380E178-K376 HydrophobicContact CG-CD 4.48Å; E178-K376 PolarHBondContact O-NZ 2.97Å; D372-K376 WeakPolarHBondContact O-CG 3.43Å; D372-K376 PolarHBondContact O-N 2.83Å; D372-K376 IonicContact OD2-NZ 3.3Å; A373-K376 WeakPolarHBondContact O-CB 3.5Å; A373-K376 WeakPolarHBondContact O-CG 3.29Å; A373-K376 PolarHBondContact O-N 3.17Å; F374-K376 VanDerWaalsContact C-N 3.33Å; K376-D378 WeakPolarHBondContact CB-OD1 3.45Å; K376-D378 PolarHBondContact O-N 3.04Å; K376-D378 VanDerWaalsContact O-N 3.13Å; K376-V379 HydrophobicContact CB-CB 4.34Å; K376-V379 HydrophobicContact CB-CG2 4.02Å; K376-V379 WeakPolarHBondContact O-CB 3.36Å; K376-V379 PolarHBondContact O-N 3.48Å; K376-I380 WeakPolarHBondContact O-CG1 3.41Å; K376-I380 PolarHBondContact O-N 2.96Å
377P95.2Very high93.8Very high32 Ų3258.6 Ų58.621%0.20829%0.293CS..Hα-helixtrans-51.9-35.8-179-30.535000114.9E178 V188 E381E178-P377 WeakPolarHBondContact OE1-CD 3.35Å; V188-P377 HydrophobicContact CG1-CG 4.44Å; V188-P377 HydrophobicContact CG2-CG 4.5Å; P377-E381 VanDerWaalsContact O-CB 3.27Å; P377-E381 WeakPolarHBondContact O-CB 3.41Å; P377-E381 PolarHBondContact O-N 3.35Å
378D94.8Very high93.9Very high110 Ų11058.5 Ų58.559%0.58829%0.293SS*.Hα-helixtrans-71.8-36.9177.663.4-19.5000113.2K376 E381 L382K376-D378 WeakPolarHBondContact CB-OD1 3.45Å; K376-D378 PolarHBondContact O-N 3.04Å; K376-D378 VanDerWaalsContact O-N 3.13Å; D378-E381 PolarHBondContact O-N 3.21Å; D378-L382 PolarHBondContact O-N 3.05Å
379V96.8Very high93.7Very high53 Ų5360.5 Ų60.532%0.32130%0.3SS..Hα-helixtrans-64.5-47.1172176.60000110.4K376 E381 L382 V383K376-V379 HydrophobicContact CB-CB 4.34Å; K376-V379 HydrophobicContact CB-CG2 4.02Å; K376-V379 WeakPolarHBondContact O-CB 3.36Å; K376-V379 PolarHBondContact O-N 3.48Å; V379-E381 VanDerWaalsContact C-N 3.34Å; V379-E381 PolarHBondContact O-N 3.16Å; V379-L382 WeakPolarHBondContact O-CB 3.29Å; V379-L382 PolarHBondContact O-N 2.92Å; V379-V383 WeakPolarHBondContact O-CG2 3.41Å; V379-V383 PolarHBondContact O-N 3.34Å
380I97.1Very high93Very high6 Ų660.5 Ų60.53%0.03130%0.303CS..Hα-helixtrans-62.7-41.6177.2-62.6-62.3000111.2R259 L262 V266 K376 L382 V383 A384R259-I380 HydrophobicContact CB-CG2 3.92Å; R259-I380 HydrophobicContact CG-CG2 4.37Å; R259-I380 WeakPolarHBondContact O-CG2 3.46Å; L262-I380 HydrophobicContact CB-CG2 4.09Å; V266-I380 HydrophobicContact CG1-CD1 3.81Å; K376-I380 WeakPolarHBondContact O-CG1 3.41Å; K376-I380 PolarHBondContact O-N 2.96Å; I380-L382 VanDerWaalsContact C-N 3.28Å; I380-L382 PolarHBondContact O-N 3.05Å; I380-V383 PolarHBondContact O-N 2.95Å; I380-A384 WeakPolarHBondContact O-CB 3.48Å; I380-A384 PolarHBondContact O-N 3.42Å
381E95.5Very high92.1Very high54 Ų5460 Ų6025%0.25230%0.303SS..Hα-helixtrans-60.4-39.2175.2-176.760.4-152.900111.8R259 P377 D378 V379 A384 K385R259-E381 IonicContact CZ-OE1 3.52Å; R259-E381 IonicContact CZ-OE2 3.72Å; R259-E381 IonicContact NE-OE1 3.95Å; R259-E381 IonicContact NE-OE2 3.67Å; R259-E381 PolarHBondContact NE-OE2 3.06Å; R259-E381 IonicContact NH2-OE1 2.68Å; R259-E381 PolarHBondContact NH2-OE1 2.94Å; R259-E381 VanDerWaalsContact NH2-OE1 3.12Å; R259-E381 IonicContact NH2-OE2 3.09Å; R259-E381 PolarHBondContact NH2-OE2 2.78Å; P377-E381 VanDerWaalsContact O-CB 3.27Å; P377-E381 WeakPolarHBondContact O-CB 3.41Å; P377-E381 PolarHBondContact O-N 3.35Å; D378-E381 PolarHBondContact O-N 3.21Å; V379-E381 VanDerWaalsContact C-N 3.34Å; V379-E381 PolarHBondContact O-N 3.16Å; E381-A384 PolarHBondContact O-N 2.87Å; E381-K385 HydrophobicContact CG-CD 4.45Å; E381-K385 WeakPolarHBondContact O-CG 3.26Å; E381-K385 PolarHBondContact O-N 3.17Å; E381-K385 VanDerWaalsContact O-N 3.1Å; E381-K385 WeakPolarHBondContact OE1-CE 3.49Å; E381-K385 IonicContact OE1-NZ 3.79Å
382L96.1Very high90.8Very high94 Ų9462.1 Ų62.149%0.49232%0.316SS..Hα-helixtrans-64.3-44.7175.8-177.761.2000111.5D378 V379 I380 K385 Y386D378-L382 PolarHBondContact O-N 3.05Å; V379-L382 WeakPolarHBondContact O-CB 3.29Å; V379-L382 PolarHBondContact O-N 2.92Å; I380-L382 VanDerWaalsContact C-N 3.28Å; I380-L382 PolarHBondContact O-N 3.05Å; L382-K385 PolarHBondContact O-N 2.93Å; L382-Y386 HydrophobicContact CD1-CD2 4.14Å; L382-Y386 HydrophobicContact CD1-CE2 3.61Å; L382-Y386 HydrophobicContact CD2-CE2 4.35Å; L382-Y386 HydrophobicContact CG-CD2 4.1Å; L382-Y386 HydrophobicContact CG-CE2 3.74Å; L382-Y386 WeakPolarHBondContact O-CD2 3.08Å; L382-Y386 PolarHBondContact O-N 3.19Å
383V95.8Very high89.3Confident63 Ų6366.7 Ų66.738%0.38234%0.34SS..Hα-helixtrans-61.1-46.7176.41750000111L262 V379 I380 K385 Y386 L387L262-V383 HydrophobicContact CD1-CG1 4.34Å; V379-V383 WeakPolarHBondContact O-CG2 3.41Å; V379-V383 PolarHBondContact O-N 3.34Å; I380-V383 PolarHBondContact O-N 2.95Å; V383-K385 VanDerWaalsContact C-N 3.31Å; V383-K385 PolarHBondContact O-N 3.48Å; V383-Y386 PolarHBondContact O-N 3.3Å; V383-Y386 VanDerWaalsContact O-N 3.16Å; V383-L387 HydrophobicContact CG1-CD1 4.08Å; V383-L387 HydrophobicContact CG1-CG 4.49Å; V383-L387 WeakPolarHBondContact O-CG 3.21Å; V383-L387 PolarHBondContact O-N 2.77Å; V383-L387 VanDerWaalsContact O-N 3.1Å
384A94Very high87.5Confident0 Ų072.8 Ų72.80%036%0.358CS..Hα-helixtrans-55.8-46.5177.800000111.4L258 R259 L262 I380 E381 Y386 L387 E388L258-A384 HydrophobicContact CD2-CB 4Å; R259-A384 HydrophobicContact CG-CB 4.22Å; L262-A384 HydrophobicContact CD1-CB 3.83Å; I380-A384 WeakPolarHBondContact O-CB 3.48Å; I380-A384 PolarHBondContact O-N 3.42Å; E381-A384 PolarHBondContact O-N 2.87Å; A384-Y386 VanDerWaalsContact C-N 3.33Å; A384-Y386 PolarHBondContact O-N 3.33Å; A384-L387 PolarHBondContact O-N 2.96Å; A384-E388 WeakPolarHBondContact O-CB 3.21Å; A384-E388 VanDerWaalsContact O-CG 3.27Å; A384-E388 WeakPolarHBondContact O-CG 3.5Å; A384-E388 PolarHBondContact O-N 3.1Å
385K92.3Very high85.5Confident101 Ų10174.6 Ų74.644%0.43937%0.372SS..Hα-helixtrans-61.8-35.5178.2-75.1172179.7165.50113.9E381 L382 V383 K389E381-K385 HydrophobicContact CG-CD 4.45Å; E381-K385 WeakPolarHBondContact O-CG 3.26Å; E381-K385 PolarHBondContact O-N 3.17Å; E381-K385 VanDerWaalsContact O-N 3.1Å; E381-K385 WeakPolarHBondContact OE1-CE 3.49Å; E381-K385 IonicContact OE1-NZ 3.79Å; L382-K385 PolarHBondContact O-N 2.93Å; V383-K385 VanDerWaalsContact C-N 3.31Å; V383-K385 PolarHBondContact O-N 3.48Å; K385-K389 VanDerWaalsContact O-CG 3.29Å; K385-K389 WeakPolarHBondContact O-CG 3.26Å; K385-K389 PolarHBondContact O-N 3.02Å
386Y92.2Very high83Confident141 Ų14184.1 Ų84.155%0.55342%0.422SS*.Hα-helixtrans-67-47.4174.9-82.2-68.3000111L382 V383 A384 K389 D390L382-Y386 HydrophobicContact CD1-CD2 4.14Å; L382-Y386 HydrophobicContact CD1-CE2 3.61Å; L382-Y386 HydrophobicContact CD2-CE2 4.35Å; L382-Y386 HydrophobicContact CG-CD2 4.1Å; L382-Y386 HydrophobicContact CG-CE2 3.74Å; L382-Y386 WeakPolarHBondContact O-CD2 3.08Å; L382-Y386 PolarHBondContact O-N 3.19Å; V383-Y386 PolarHBondContact O-N 3.3Å; V383-Y386 VanDerWaalsContact O-N 3.16Å; A384-Y386 VanDerWaalsContact C-N 3.33Å; A384-Y386 PolarHBondContact O-N 3.33Å; Y386-K389 PolarHBondContact O-N 2.75Å; Y386-D390 PolarHBondContact O-N 2.62Å
387L91Very high82.4Confident60 Ų6085.9 Ų85.931%0.31443%0.433SS..Hα-helixtrans-63.7-44179.5-65.5174000112.2L262 F308 V383 A384 K389 D390 V391L262-L387 HydrophobicContact CD1-CD1 4.23Å; L262-L387 HydrophobicContact CD2-CD1 3.7Å; F308-L387 HydrophobicContact CE1-CB 4.32Å; F308-L387 HydrophobicContact CZ-CB 3.66Å; F308-L387 HydrophobicContact CZ-CD1 4.28Å; V383-L387 HydrophobicContact CG1-CD1 4.08Å; V383-L387 HydrophobicContact CG1-CG 4.49Å; V383-L387 WeakPolarHBondContact O-CG 3.21Å; V383-L387 PolarHBondContact O-N 2.77Å; V383-L387 VanDerWaalsContact O-N 3.1Å; A384-L387 PolarHBondContact O-N 2.96Å; L387-K389 VanDerWaalsContact C-N 3.29Å; L387-K389 PolarHBondContact O-N 3.15Å; L387-D390 PolarHBondContact O-N 3.47Å; L387-V391 VanDerWaalsContact O-CG2 3.3Å; L387-V391 WeakPolarHBondContact O-CG2 3.34Å; L387-V391 PolarHBondContact O-N 2.84Å
388E88.5Confident81.7Confident46 Ų4688.7 Ų88.722%0.21545%0.445CS..Hα-helixtrans-58-41.5177.2-73.5167.917500111.1R259 F308 A384 V392R259-E388 IonicContact CZ-OE1 3.47Å; R259-E388 IonicContact NH1-OE1 2.84Å; R259-E388 PolarHBondContact NH1-OE1 3.04Å; R259-E388 IonicContact NH2-OE1 2.93Å; R259-E388 PolarHBondContact NH2-OE1 2.78Å; F308-E388 HydrophobicContact CE1-CG 3.92Å; A384-E388 WeakPolarHBondContact O-CB 3.21Å; A384-E388 VanDerWaalsContact O-CG 3.27Å; A384-E388 WeakPolarHBondContact O-CG 3.5Å; A384-E388 PolarHBondContact O-N 3.1Å; E388-V392 WeakPolarHBondContact O-CG2 3.32Å; E388-V392 PolarHBondContact O-N 3.19Å
389K84.9Confident81Confident135 Ų13587.5 Ų87.559%0.58744%0.437SS*.Hα-helixtrans-67-43.4175.5-74.2174.2-179.1-179.40113.3K385 Y386 L387 V391 V392 N393K385-K389 VanDerWaalsContact O-CG 3.29Å; K385-K389 WeakPolarHBondContact O-CG 3.26Å; K385-K389 PolarHBondContact O-N 3.02Å; Y386-K389 PolarHBondContact O-N 2.75Å; L387-K389 VanDerWaalsContact C-N 3.29Å; L387-K389 PolarHBondContact O-N 3.15Å; K389-V391 VanDerWaalsContact C-N 3.28Å; K389-V391 PolarHBondContact O-N 3.49Å; K389-V392 PolarHBondContact O-N 3.36Å; K389-N393 PolarHBondContact O-N 2.87Å; K389-N393 VanDerWaalsContact O-N 3.16Å; K389-N393 PolarHBondContact O-ND2 2.94Å
390D76.8Confident80.1Confident92 Ų9289.5 Ų89.549%0.49244%0.443SS..Hα-helixtrans-67.3-30.5-178.8-74.4-15.7000112.4Y386 L387Y386-D390 PolarHBondContact O-N 2.62Å; L387-D390 PolarHBondContact O-N 3.47Å
391V72.6Confident79Confident60 Ų6094.8 Ų94.836%0.36447%0.469SS..Hα-helixtrans-67.4-43.9172.8173.20000110.8F308 L387 K389 N393 K394F308-V391 HydrophobicContact CD1-CG2 4.26Å; F308-V391 HydrophobicContact CE1-CG2 4.34Å; L387-V391 VanDerWaalsContact O-CG2 3.3Å; L387-V391 WeakPolarHBondContact O-CG2 3.34Å; L387-V391 PolarHBondContact O-N 2.84Å; K389-V391 VanDerWaalsContact C-N 3.28Å; K389-V391 PolarHBondContact O-N 3.49Å; V391-N393 VanDerWaalsContact C-N 3.28Å; V391-N393 PolarHBondContact O-N 2.88Å; V391-K394 PolarHBondContact O-N 3.11Å
392V66.7Low77.9Confident45 Ų4597.5 Ų97.527%0.27348%0.484SS..Hα-helixtrans-58.6-40.3176176.90000111.8N313 E388 K389 K394 D395N313-V392 HydrophobicContact CB-CG2 4.2Å; N313-V392 WeakPolarHBondContact ND2-CG2 3.19Å; E388-V392 WeakPolarHBondContact O-CG2 3.32Å; E388-V392 PolarHBondContact O-N 3.19Å; K389-V392 PolarHBondContact O-N 3.36Å; V392-K394 VanDerWaalsContact C-N 3.25Å; V392-K394 PolarHBondContact O-N 3.15Å; V392-D395 PolarHBondContact O-N 2.85Å
393N61.8Low76.6Confident102 Ų10297.7 Ų97.755%0.54548%0.483SS..THydrogen-bonded Turntrans-72-13.5-176.9-71.6-27.7000114.3K389 V391K389-N393 PolarHBondContact O-N 2.87Å; K389-N393 VanDerWaalsContact O-N 3.16Å; K389-N393 PolarHBondContact O-ND2 2.94Å; V391-N393 VanDerWaalsContact C-N 3.28Å; V391-N393 PolarHBondContact O-N 2.88Å
394K58.1Low75.1Confident177 Ų177100.4 Ų100.477%0.7749%0.491SS*.THydrogen-bonded Turntrans-84.9-15.9178-78-178.5178.5176.60113.9V391 V392V391-K394 PolarHBondContact O-N 3.11Å; V392-K394 VanDerWaalsContact C-N 3.25Å; V392-K394 PolarHBondContact O-N 3.15Å
395D53.7Low73.5Confident146 Ų146108.8 Ų108.878%0.78153%0.532SS*.  trans-95.13.8-179.7-68.5-28.3000113.2V392V392-D395 PolarHBondContact O-N 2.85Å
396L43.7Very low71.8Confident200 Ų200109.5 Ų109.5100%1.04754%0.54SS*.  trans-99.80169.1-72.6168.6000110.4

Retrieved 396 of 396 residues in 1663.3 ms (Link to these results)

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